A0A096MWN3_PAPAN Loading...

Myotubularin

Lipid phosphatase which dephosphorylates phosphatidylinositol 3-monophosphate (PI3P) and phosphatidylinositol 3,5-bisphosphate (PI(3,5)P2). Has also been shown to dephosphorylate phosphotyrosine- and phosphoserine-containing peptides. Negatively regulates EGFR degradation through regulation of EGFR trafficking from the late endosome to the lysosome. Plays a role in vacuolar formation and morphology. Regulates desmin intermediate filament assembly and architecture. Plays a role in mitochondrial morphology and positioning. Required for skeletal muscle maintenance but not for myogenesis. In skeletal muscles, stabilizes MTMR12 protein levels.

AlphaFold DB , UniProt , Accession A0A096MWN3, Species PAPAN (Papio anubis, Olive baboon), Gene MTM1, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	26.5	Very low	251 Å²	251	144 Å²	144	100%	1.236	85%	0.847	S	S	*	*				0	111.7	0	-71.5	-170.4	-152	0	0	108.3
2	A	25.3	Very low	27	Very low	104 Å²	104	143.1 Å²	143.1	86%	0.86	83%	0.828	S	S	*	*			trans	168.6	95.8	155.3	0	0	0	0	0	106.2	A4	A2-A4 PolarHBondContact O-N 3.46Å
3	S	24.7	Very low	27.2	Very low	123 Å²	123	140.2 Å²	140.2	86%	0.86	82%	0.821	S	S	*	*			trans	-78.5	114.5	174.9	55	0	0	0	0	109.3
4	A	24.2	Very low	27.3	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	82%	0.816	S	S	*	*			trans	-81.4	126.3	167.3	0	0	0	0	0	109.3	A2 T6	A2-A4 PolarHBondContact O-N 3.46Å; A4-T6 PolarHBondContact O-N 2.89Å
5	S	26.5	Very low	27.9	Very low	123 Å²	123	141.5 Å²	141.5	86%	0.86	81%	0.81	S	S	*	*			trans	-71.9	114.6	-179.3	52.6	0	0	0	0	111.6
6	T	25.2	Very low	28	Very low	136 Å²	136	137.6 Å²	137.6	83%	0.834	79%	0.786	S	S	*	*			trans	-79.2	130.1	168.3	34.6	0	0	0	0	110.6	A4	A4-T6 PolarHBondContact O-N 2.89Å
7	S	24.4	Very low	28	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	79%	0.791	S	S	*	*			trans	-68.2	128.4	176.3	57.3	0	0	0	0	110.9	Y9	S7-Y9 PolarHBondContact O-N 3.11Å
8	K	26.8	Very low	28.3	Very low	201 Å²	201	137 Å²	137	87%	0.874	78%	0.777	S	S	*	*			trans	-66.4	114.1	172.6	-71.6	-178.8	176.3	-178.3	0	110.2	N10	K8-N10 PolarHBondContact O-N 3.42Å
9	Y	24.3	Very low	28.4	Very low	195 Å²	195	135.9 Å²	135.9	77%	0.765	77%	0.768	S	S	*	*			trans	-69.9	120.3	165.6	-109.1	-96.3	0	0	0	109.1	S7	S7-Y9 PolarHBondContact O-N 3.11Å
10	N	25.8	Very low	28.3	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	77%	0.771	S	S	*	*			trans	-97.6	107.9	174	-105.4	-8.8	0	0	0	108.7	K8 H12	K8-N10 PolarHBondContact O-N 3.42Å; N10-H12 VanDerWaalsContact C-N 3.33Å; N10-H12 PolarHBondContact O-N 3.48Å
11	S	27.5	Very low	28.3	Very low	103 Å²	103	143 Å²	143	72%	0.72	78%	0.776	S	S	*	*			trans	-86.1	58.4	178.2	59.1	0	0	0	0	112.1
12	H	33.2	Very low	27.9	Very low	133 Å²	133	135.2 Å²	135.2	62%	0.616	74%	0.744	S	S	*	*			trans	-154.8	84.9	175	-76.6	-69.6	0	0	0	112	N10	N10-H12 VanDerWaalsContact C-N 3.33Å; N10-H12 PolarHBondContact O-N 3.48Å
13	S	29.2	Very low	28	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	74%	0.735	S	S	*	*			trans	-135.2	87.9	167.8	46.2	0	0	0	0	106.7
14	L	29.1	Very low	28.4	Very low	142 Å²	142	140.6 Å²	140.6	74%	0.743	74%	0.738	S	S	*	*	S	Bend		-155	12.7	95.1	-84.6	155.2	0	0	0	112.8
15	E	36.2	Very low	28.6	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.734	74%	0.736	S	S	*	*	S	Bend	trans	-99.7	7	175	-81.4	174.6	-175	0	0	113.1
16	N	29.4	Very low	29.1	Very low	79 Å²	79	141 Å²	141	42%	0.422	74%	0.737	S	S	.	*			trans	-145.2	33.5	-172.7	-117.2	-0.6	0	0	0	115.6	S18 I19	N16-S18 PolarHBondContact O-N 3.22Å; N16-I19 WeakPolarHBondContact OD1-CD1 3.48Å
17	E	27.6	Very low	29.2	Very low	188 Å²	188	140.1 Å²	140.1	88%	0.879	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	68	162.7	-79.9	-157.7	152.3	0	0	111.2
18	S	32.7	Very low	29.6	Very low	77 Å²	77	143.2 Å²	143.2	54%	0.538	74%	0.74	S	S	.	*	T	Hydrogen-bonded Turn	trans	-175.4	41.2	153.5	64.4	0	0	0	0	113.2	N16	N16-S18 PolarHBondContact O-N 3.22Å
19	I	31.5	Very low	29.8	Very low	117 Å²	117	141.4 Å²	141.4	60%	0.6	73%	0.727	S	S	*	*			trans	-122.6	80.7	172.8	-50.4	-174.5	0	0	0	110.9	N16	N16-I19 WeakPolarHBondContact OD1-CD1 3.48Å
20	K	26.6	Very low	30.2	Very low	192 Å²	192	138.7 Å²	138.7	84%	0.835	73%	0.726	S	S	*	*			trans	-87.9	114.3	155	-77.7	-176	177.9	177.6	0	108.7
21	R	27.6	Very low	30.8	Very low	228 Å²	228	140.2 Å²	140.2	86%	0.86	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60.2	144.2	165.9	-78.4	-176.9	176.8	-175.5	-1.7	109.7
22	P	27.9	Very low	31.6	Very low	87 Å²	87	140.5 Å²	140.5	57%	0.565	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-73.4	137.2	-178.3	2	13.6	0	0	0	111.2
23	S	26.9	Very low	32.6	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-65	142	146.6	53.6	0	0	0	0	108.3	D25	S23-D25 VanDerWaalsContact C-N 3.34Å; S23-D25 PolarHBondContact O-N 3.22Å
24	R	33.6	Very low	34.4	Very low	243 Å²	243	137.8 Å²	137.8	92%	0.917	72%	0.72	S	S	*	*	S	Bend	trans	-62.9	97.9	165.5	-78.6	176.7	168.7	176.3	-4.3	107.2
25	D	28.1	Very low	36.6	Very low	142 Å²	142	132 Å²	132	76%	0.759	69%	0.691	S	S	*	*			trans	-158.8	125.4	150.5	-86.1	-36.5	0	0	0	107.9	S23 V27	S23-D25 VanDerWaalsContact C-N 3.34Å; S23-D25 PolarHBondContact O-N 3.22Å; D25-V27 PolarHBondContact O-N 3.3Å
26	G	36.7	Very low	39	Very low	85 Å²	85	128.1 Å²	128.1	88%	0.876	68%	0.679	S	S	*	*			trans	-65.4	98.6	-178.2	0	0	0	0	0	110.5
27	V	28.6	Very low	42	Very low	118 Å²	118	131 Å²	131	72%	0.715	68%	0.684	S	S	*	*			trans	-137.5	124.6	162.9	-175.6	0	0	0	0	107.4	D25 R29	D25-V27 PolarHBondContact O-N 3.3Å; V27-R29 PolarHBondContact O-N 3.41Å; V27-R29 VanDerWaalsContact O-N 3.08Å
28	N	32.8	Very low	45.2	Very low	167 Å²	167	123.4 Å²	123.4	89%	0.893	65%	0.649	S	S	*	*			trans	-36	109.5	175.1	-123.3	-15.1	0	0	0	111
29	R	31.5	Very low	48.3	Very low	163 Å²	163	122.9 Å²	122.9	62%	0.615	64%	0.644	S	S	*	*			trans	-86	114.6	175.2	-82.2	-177	170.2	-163.1	-8.8	108.7	V27 L31	V27-R29 PolarHBondContact O-N 3.41Å; V27-R29 VanDerWaalsContact O-N 3.08Å; R29-L31 PolarHBondContact O-N 2.93Å
30	D	31.1	Very low	51.4	Low	139 Å²	139	118.4 Å²	118.4	74%	0.743	63%	0.627	S	S	*	*			trans	-44.4	122.3	169.6	-103	-36.8	0	0	0	111.7	T32	D30-T32 PolarHBondContact O-N 2.77Å; D30-T32 VanDerWaalsContact O-N 3.16Å
31	L	39.8	Very low	54.8	Low	181 Å²	181	109.7 Å²	109.7	95%	0.948	59%	0.589	S	S	*	*	S	Bend	trans	-78.7	21	176.2	-80.6	158.1	0	0	0	112.7	R29	R29-L31 PolarHBondContact O-N 2.93Å
32	T	43.6	Very low	58.1	Low	109 Å²	109	102.2 Å²	102.2	67%	0.669	57%	0.569	S	S	*	*			trans	-107	36.2	-172.9	48.1	0	0	0	0	113.4	D30 A34	D30-T32 PolarHBondContact O-N 2.77Å; D30-T32 VanDerWaalsContact O-N 3.16Å; T32-A34 PolarHBondContact O-N 2.98Å
33	E	54.7	Low	61.3	Low	104 Å²	104	102 Å²	102	49%	0.486	56%	0.563	S	S	.	*			trans	-72.5	96.2	166.4	-83.8	-179.8	167.6	0	0	109.6	V35 R73	E33-V35 PolarHBondContact O-N 3.48Å; E33-R73 IonicContact OE2-CZ 3.32Å; E33-R73 IonicContact OE2-NH1 2.88Å; E33-R73 PolarHBondContact OE2-NH1 2.85Å; E33-R73 IonicContact OE2-NH2 2.8Å; E33-R73 PolarHBondContact OE2-NH2 3.07Å
34	A	66.5	Low	64.7	Low	79 Å²	79	99.9 Å²	99.9	65%	0.653	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-52.9	134.7	175.3	0	0	0	0	0	111.1	T32	T32-A34 PolarHBondContact O-N 2.98Å
35	V	74.3	Confident	67.6	Low	21 Å²	21	89.5 Å²	89.5	13%	0.127	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-53.7	129.5	175	178.8	0	0	0	0	109.7	E33 R37 Y64 Y71	E33-V35 PolarHBondContact O-N 3.48Å; V35-R37 PolarHBondContact O-N 3.47Å; V35-Y64 HydrophobicContact CG2-CD1 3.49Å; V35-Y64 VanDerWaalsContact CG2-CD1 3.49Å; V35-Y64 HydrophobicContact CG2-CD2 3.51Å; V35-Y64 HydrophobicContact CG2-CE1 3.7Å; V35-Y64 HydrophobicContact CG2-CE2 3.71Å; V35-Y64 HydrophobicContact CG2-CG 3.39Å; V35-Y71 HydrophobicContact CG1-CD1 3.69Å; V35-Y71 HydrophobicContact CG1-CE1 4.15Å; V35-Y71 HydrophobicContact CG1-CG 3.92Å; V35-Y71 HydrophobicContact CG2-CD1 4.35Å
36	P	86.6	Confident	70.7	Confident	75 Å²	75	85.6 Å²	85.6	49%	0.487	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-56.7	126.4	174.1	-24.1	33.6	0	0	0	110.3
37	R	92.6	Very high	73.3	Confident	139 Å²	139	84 Å²	84	53%	0.525	46%	0.455	S	S	.	.			trans	-124.7	141.4	-178.2	-76.4	176.4	-69	166.8	-0.6	110.3	V35 E41	V35-R37 PolarHBondContact O-N 3.47Å; R37-E41 WeakPolarHBondContact CA-OE2 3.37Å; R37-E41 HydrophobicContact CB-CB 4.23Å; R37-E41 HydrophobicContact CB-CG 4.47Å; R37-E41 HydrophobicContact CG-CG 4.32Å
38	L	96.3	Very high	76.4	Confident	28 Å²	28	83.4 Å²	83.4	15%	0.147	44%	0.444	C	S	.	.			trans	-73.4	152.7	169	-58.1	176	0	0	0	109.8	G40 E41 Y68 F151 E157 R474	L38-G40 PolarHBondContact O-N 3.4Å; L38-E41 HydrophobicContact CB-CB 4.18Å; L38-E41 PolarHBondContact N-OE2 2.97Å; L38-E41 WeakPolarHBondContact O-CA 3.33Å; L38-E41 WeakPolarHBondContact O-CB 3.49Å; L38-E41 PolarHBondContact O-N 2.99Å; L38-Y68 HydrophobicContact CD1-CD1 3.96Å; L38-Y68 HydrophobicContact CD1-CE1 3.76Å; L38-F151 HydrophobicContact CB-CZ 4.29Å; L38-F151 HydrophobicContact CD1-CE1 4.02Å; L38-F151 HydrophobicContact CD1-CZ 4.4Å; L38-E157 HydrophobicContact CB-CG 4.48Å; L38-R474 HydrophobicContact CD1-CG 4.46Å
39	P	97.5	Very high	79.4	Confident	67 Å²	67	75.8 Å²	75.8	44%	0.435	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	128.1	162.6	-28.2	34.6	0	0	0	111.9	E41 E156 E157	P39-E41 VanDerWaalsContact C-N 3.3Å; P39-E41 PolarHBondContact O-N 2.92Å; P39-E156 HydrophobicContact CB-CB 3.82Å; P39-E156 PolarHBondContact O-N 2.73Å; P39-E157 HydrophobicContact CB-CG 4.23Å; P39-E157 HydrophobicContact CG-CG 3.93Å
40	G	96.6	Very high	82.4	Confident	22 Å²	22	70 Å²	70	23%	0.227	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-6.6	-173.4	0	0	0	0	0	115.8	L38 N67 L154	L38-G40 PolarHBondContact O-N 3.4Å; G40-N67 PolarHBondContact O-ND2 2.93Å; G40-N67 VanDerWaalsContact O-ND2 3.12Å; G40-L154 WeakPolarHBondContact CA-O 3.35Å
41	E	97.9	Very high	85.5	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.042	35%	0.351	C	S	.	.			trans	-85.1	125.3	176.5	-171.8	178.2	-169.5	0	0	112.1	R37 L38 P39 T66 N67 R69 F151	R37-E41 WeakPolarHBondContact CA-OE2 3.37Å; R37-E41 HydrophobicContact CB-CB 4.23Å; R37-E41 HydrophobicContact CB-CG 4.47Å; R37-E41 HydrophobicContact CG-CG 4.32Å; L38-E41 HydrophobicContact CB-CB 4.18Å; L38-E41 PolarHBondContact N-OE2 2.97Å; L38-E41 WeakPolarHBondContact O-CA 3.33Å; L38-E41 WeakPolarHBondContact O-CB 3.49Å; L38-E41 PolarHBondContact O-N 2.99Å; P39-E41 VanDerWaalsContact C-N 3.3Å; P39-E41 PolarHBondContact O-N 2.92Å; E41-T66 HydrophobicContact CG-CG2 3.97Å; E41-T66 VanDerWaalsContact OE1-CB 3.29Å; E41-T66 WeakPolarHBondContact OE1-CB 3.48Å; E41-T66 VanDerWaalsContact OE1-CG2 3.25Å; E41-T66 WeakPolarHBondContact OE1-CG2 3.43Å; E41-T66 PolarHBondContact OE1-OG1 2.86Å; E41-N67 WeakPolarHBondContact CA-OD1 3.41Å; E41-R69 WeakPolarHBondContact OE1-CG 3.38Å; E41-R69 IonicContact OE1-CZ 3.24Å; E41-R69 IonicContact OE1-NE 3.5Å; E41-R69 PolarHBondContact OE1-NE 3.48Å; E41-R69 IonicContact OE1-NH2 2.73Å; E41-R69 IonicContact OE2-CZ 3.63Å; E41-R69 IonicContact OE2-NE 3.31Å; E41-R69 PolarHBondContact OE2-NE 3.21Å; E41-R69 IonicContact OE2-NH2 3Å; E41-R69 PolarHBondContact OE2-NH2 2.93Å; E41-F151 HydrophobicContact CB-CE2 4.03Å; E41-F151 HydrophobicContact CB-CZ 4.02Å
42	T	96.3	Very high	88.1	Confident	72 Å²	72	57.1 Å²	57.1	44%	0.442	32%	0.316	S	S	.	.			trans	-117.7	132.6	-177.9	60.7	0	0	0	0	110.9	I44 T66 N67	T42-I44 PolarHBondContact O-N 3.4Å; T42-T66 WeakPolarHBondContact O-CA 3.45Å; T42-T66 VanDerWaalsContact O-CB 3.26Å; T42-T66 WeakPolarHBondContact O-CB 3.25Å; T42-N67 PolarHBondContact N-OD1 2.95Å; T42-N67 PolarHBondContact O-N 3.04Å; T42-N67 VanDerWaalsContact O-N 3.15Å; T42-N67 PolarHBondContact O-OD1 3.44Å
43	L	96.3	Very high	90.4	Very high	82 Å²	82	52.3 Å²	52.3	43%	0.429	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.6	171.7	-179.7	66.8	0	0	0	109.6	Y64 T66	L43-Y64 HydrophobicContact CD1-CD1 4.11Å; L43-T66 HydrophobicContact CD1-CG2 4.5Å
44	I	96.7	Very high	92.2	Very high	53 Å²	53	49.5 Å²	49.5	27%	0.272	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-47.5	178	-56.3	-52.7	0	0	0	110.6	T42 I65 I136 Y140	T42-I44 PolarHBondContact O-N 3.4Å; I44-I65 WeakPolarHBondContact CA-O 3.32Å; I44-I65 WeakPolarHBondContact CB-O 3.33Å; I44-I65 PolarHBondContact N-O 3.31Å; I44-I136 HydrophobicContact CG2-CG2 3.72Å; I44-Y140 HydrophobicContact CB-CE2 4.26Å; I44-Y140 HydrophobicContact CD1-CE1 3.79Å; I44-Y140 HydrophobicContact CD1-CE2 4.14Å; I44-Y140 WeakPolarHBondContact CD1-OH 3.42Å; I44-Y140 HydrophobicContact CG1-CD1 4.37Å; I44-Y140 HydrophobicContact CG1-CD2 4.18Å; I44-Y140 HydrophobicContact CG1-CE1 4.03Å; I44-Y140 HydrophobicContact CG1-CE2 3.85Å; I44-Y140 HydrophobicContact CG1-CG 4.44Å; I44-Y140 HydrophobicContact CG2-CD2 4.12Å; I44-Y140 HydrophobicContact CG2-CE2 3.48Å; I44-Y140 VanDerWaalsContact CG2-CE2 3.48Å
45	T	95.2	Very high	93.3	Very high	25 Å²	25	48.2 Å²	48.2	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	161.1	179.3	-165.3	0	0	0	0	110.3	I65 I136	T45-I65 HydrophobicContact CG2-CB 4.12Å; T45-I65 HydrophobicContact CG2-CD1 3.89Å; T45-I65 HydrophobicContact CG2-CG1 4.37Å; T45-I65 PolarHBondContact N-O 2.97Å; T45-I65 PolarHBondContact O-N 3.37Å; T45-I136 HydrophobicContact CG2-CD1 3.69Å; T45-I136 HydrophobicContact CG2-CG2 3.96Å
46	D	93.6	Very high	93.9	Very high	59 Å²	59	52.6 Å²	52.6	32%	0.316	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.2	164.6	69.1	-53.5	0	0	0	110.8	R62 V63 Y64	D46-R62 HydrophobicContact CB-CG 4.29Å; D46-R62 WeakPolarHBondContact OD2-CD 3.33Å; D46-R62 IonicContact OD2-CZ 3.53Å; D46-R62 IonicContact OD2-NE 3.71Å; D46-R62 IonicContact OD2-NH1 3.86Å; D46-R62 PolarHBondContact OD2-NH1 3.48Å; D46-V63 CarbonylContact C-O 3.56Å; D46-V63 WeakPolarHBondContact CA-O 3.42Å; D46-Y64 HydrophobicContact CB-CD1 3.56Å; D46-Y64 HydrophobicContact CB-CE1 3.86Å; D46-Y64 HydrophobicContact CB-CG 4.29Å
47	K	91.9	Very high	94.1	Very high	53 Å²	53	50.3 Å²	50.3	23%	0.23	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.6	179.3	-63.4	-68.8	179.5	174.7	0	109.9	V49 V63 D132	K47-V49 HydrophobicContact CB-CG1 4.37Å; K47-V63 PolarHBondContact N-O 3.5Å; K47-V63 PolarHBondContact O-N 3.08Å; K47-D132 IonicContact NZ-OD2 3.51Å
48	E	93.3	Very high	94.1	Very high	105 Å²	105	47.1 Å²	47.1	49%	0.491	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.4	166.5	-67.1	-173.3	171.7	0	0	110	G61 R62 L75	E48-G61 WeakPolarHBondContact CA-O 3.47Å; E48-R62 IonicContact OE1-CZ 2.86Å; E48-R62 IonicContact OE1-NE 3.58Å; E48-R62 IonicContact OE1-NH2 2.74Å; E48-R62 PolarHBondContact OE1-NH2 2.92Å; E48-L75 HydrophobicContact CG-CD1 4.43Å
49	V	94.8	Very high	94	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165.6	-176.4	-57.6	0	0	0	0	110.1	K47 G61 V63 L72 F121 L123 M133	K47-V49 HydrophobicContact CB-CG1 4.37Å; V49-G61 PolarHBondContact N-O 3.08Å; V49-G61 PolarHBondContact O-N 2.99Å; V49-V63 HydrophobicContact CG1-CG2 4.41Å; V49-V63 HydrophobicContact CG2-CB 4.3Å; V49-V63 HydrophobicContact CG2-CG2 3.45Å; V49-V63 VanDerWaalsContact CG2-CG2 3.45Å; V49-L72 HydrophobicContact CG2-CD1 4.06Å; V49-F121 HydrophobicContact CB-CD1 4.42Å; V49-F121 HydrophobicContact CG2-CD1 3.84Å; V49-F121 HydrophobicContact CG2-CE1 4.47Å; V49-L123 HydrophobicContact CG1-CD2 4.13Å; V49-L123 HydrophobicContact CG1-CG 4.16Å; V49-M133 HydrophobicContact CG1-CE 4.25Å; V49-M133 HydrophobicContact CG1-SD 4.02Å
50	I	95.4	Very high	93.8	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.3	163.7	-63.9	168.8	0	0	0	106.8	I52 P58 I59 K60 N105 F121 A122	I50-I52 PolarHBondContact O-N 2.95Å; I50-P58 HydrophobicContact CG2-CB 3.64Å; I50-I59 CarbonylContact C-O 3.57Å; I50-I59 WeakPolarHBondContact CA-O 3.36Å; I50-K60 HydrophobicContact CG1-CG 4.08Å; I50-N105 VanDerWaalsContact CD1-OD1 3.26Å; I50-N105 WeakPolarHBondContact CD1-OD1 3.35Å; I50-F121 CarbonylContact O-C 3.54Å; I50-F121 WeakPolarHBondContact O-CA 3.37Å; I50-A122 HydrophobicContact CB-CB 4.11Å; I50-A122 PolarHBondContact N-O 3.43Å; I50-A122 PolarHBondContact O-N 3.28Å
51	Y	95.6	Very high	93.6	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.9	172	171.3	-120.9	0	0	0	109.3	C53 P58 I59 L72 L81 L83 L119 R120 F121	Y51-C53 HydrophobicContact CD1-CB 3.79Å; Y51-C53 VanDerWaalsContact CE1-CA 3.46Å; Y51-C53 HydrophobicContact CE1-CB 3.35Å; Y51-C53 PolarHBondContact O-N 3.33Å; Y51-C53 VanDerWaalsContact O-N 3.17Å; Y51-P58 CarbonylContact O-C 3.55Å; Y51-P58 WeakPolarHBondContact O-CA 3.42Å; Y51-I59 PolarHBondContact N-O 2.95Å; Y51-I59 PolarHBondContact O-N 3.4Å; Y51-L72 HydrophobicContact CG-CD1 4.25Å; Y51-L81 HydrophobicContact CD1-CD2 3.64Å; Y51-L81 HydrophobicContact CE1-CD2 3.91Å; Y51-L83 HydrophobicContact CD1-CD1 3.79Å; Y51-L83 HydrophobicContact CD2-CD1 3.95Å; Y51-L83 HydrophobicContact CE1-CD1 3.63Å; Y51-L83 HydrophobicContact CE1-CD2 4.44Å; Y51-L83 HydrophobicContact CE1-CG 4.47Å; Y51-L83 HydrophobicContact CE2-CD1 3.83Å; Y51-L83 HydrophobicContact CG-CD1 3.93Å; Y51-L119 HydrophobicContact CE2-CD2 4.22Å; Y51-R120 WeakPolarHBondContact CD2-O 3.35Å; Y51-F121 HydrophobicContact CD2-CD1 4.03Å; Y51-F121 AromaticContact CD2-CE1 3.66Å; Y51-F121 HydrophobicContact CD2-CE1 3.66Å; Y51-F121 HydrophobicContact CD2-CZ 4.21Å; Y51-F121 HydrophobicContact CG-CE1 4.2Å
52	I	94.9	Very high	93.4	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.205	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	85.1	176.8	-49.5	-175.6	0	0	0	106.8	I50 P54 N105 R120 A122	I50-I52 PolarHBondContact O-N 2.95Å; I52-P54 WeakPolarHBondContact O-CD 3.41Å; I52-N105 HydrophobicContact CD1-CB 3.92Å; I52-R120 HydrophobicContact CB-CB 4.13Å; I52-R120 HydrophobicContact CB-CG 4.16Å; I52-R120 HydrophobicContact CD1-CG 3.9Å; I52-R120 HydrophobicContact CG1-CG 4.28Å; I52-R120 PolarHBondContact N-O 2.83Å; I52-A122 HydrophobicContact CD1-CB 4.23Å; I52-A122 HydrophobicContact CG1-CB 4.49Å
53	C	92.4	Very high	93.4	Very high	8 Å²	8	48 Å²	48	5%	0.054	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	122.6	177	-174.5	0	0	0	0	109	Y51 F55 N56 G57 I59	Y51-C53 HydrophobicContact CD1-CB 3.79Å; Y51-C53 VanDerWaalsContact CE1-CA 3.46Å; Y51-C53 HydrophobicContact CE1-CB 3.35Å; Y51-C53 PolarHBondContact O-N 3.33Å; Y51-C53 VanDerWaalsContact O-N 3.17Å; C53-F55 PolarHBondContact O-N 2.96Å; C53-F55 VanDerWaalsContact O-N 3.1Å; C53-N56 HydrophobicContact CB-CB 4.12Å; C53-N56 PolarHBondContact SG-N 3.45Å; C53-G57 WeakPolarHBondContact CB-O 3.06Å; C53-G57 PolarHBondContact N-O 3.39Å; C53-G57 WeakPolarHBondContact O-CA 3.4Å; C53-G57 PolarHBondContact O-N 2.91Å; C53-I59 HydrophobicContact CB-CD1 4.04Å
54	P	91.9	Very high	93.4	Very high	45 Å²	45	46.2 Å²	46.2	29%	0.292	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.9	178.4	19	-25.5	0	0	0	113.5	I52 Y329 P330	I52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-Y329 WeakPolarHBondContact CG-OH 3.28Å; P54-P330 HydrophobicContact CB-CB 3.4Å; P54-P330 VanDerWaalsContact CB-CB 3.4Å; P54-P330 HydrophobicContact CB-CG 4.17Å; P54-P330 HydrophobicContact CG-CB 3.94Å
55	F	89.7	Confident	93.4	Very high	52 Å²	52	43.7 Å²	43.7	23%	0.228	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-30.2	-175.6	-47.6	-68.3	0	0	0	113.8	C53 Y329 P330 W541 N542 P543	C53-F55 PolarHBondContact O-N 2.96Å; C53-F55 VanDerWaalsContact O-N 3.1Å; F55-Y329 HydrophobicContact CE2-CE2 4.16Å; F55-Y329 HydrophobicContact CZ-CD2 4.38Å; F55-Y329 AromaticContact CZ-CE2 3.81Å; F55-Y329 HydrophobicContact CZ-CE2 3.81Å; F55-P330 VanDerWaalsContact CE1-O 3.27Å; F55-P330 WeakPolarHBondContact CE1-O 3.17Å; F55-W541 HydrophobicContact CE2-CB 4.41Å; F55-W541 WeakPolarHBondContact CE2-O 3.44Å; F55-N542 HydrophobicContact CD1-CB 4.49Å; F55-N542 HydrophobicContact CE1-CB 3.89Å; F55-N542 HydrophobicContact CZ-CB 4.13Å; F55-P543 HydrophobicContact CB-CG 3.99Å; F55-P543 VanDerWaalsContact CD2-CD 3.48Å; F55-P543 HydrophobicContact CD2-CG 4.14Å; F55-P543 VanDerWaalsContact CG-CD 3.43Å; F55-P543 HydrophobicContact CG-CG 4.17Å
56	N	86.9	Confident	93.5	Very high	112 Å²	112	42.6 Å²	42.6	60%	0.599	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	0	-171.8	-66.2	83.2	0	0	0	113.3	C53 I59	C53-N56 HydrophobicContact CB-CB 4.12Å; C53-N56 PolarHBondContact SG-N 3.45Å; N56-I59 HydrophobicContact CB-CD1 4.14Å
57	G	90.1	Very high	93.7	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-166.4	-176.7	0	0	0	0	0	113.8	C53	C53-G57 WeakPolarHBondContact CB-O 3.06Å; C53-G57 PolarHBondContact N-O 3.39Å; C53-G57 WeakPolarHBondContact O-CA 3.4Å; C53-G57 PolarHBondContact O-N 2.91Å
58	P	93.2	Very high	94	Very high	73 Å²	73	38.7 Å²	38.7	47%	0.474	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.8	-178.8	-16.4	30.9	0	0	0	111.9	I50 Y51	I50-P58 HydrophobicContact CG2-CB 3.64Å; Y51-P58 CarbonylContact O-C 3.55Å; Y51-P58 WeakPolarHBondContact O-CA 3.42Å
59	I	93	Very high	94.2	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.8	179.2	-62.8	166.8	0	0	0	108.6	I50 Y51 C53 N56 G61 L81	I50-I59 CarbonylContact C-O 3.57Å; I50-I59 WeakPolarHBondContact CA-O 3.36Å; Y51-I59 PolarHBondContact N-O 2.95Å; Y51-I59 PolarHBondContact O-N 3.4Å; C53-I59 HydrophobicContact CB-CD1 4.04Å; N56-I59 HydrophobicContact CB-CD1 4.14Å; I59-G61 PolarHBondContact O-N 3.16Å; I59-L81 HydrophobicContact CD1-CD2 3.51Å; I59-L81 HydrophobicContact CG2-CD2 4.41Å
60	K	94	Very high	94.3	Very high	131 Å²	131	34.4 Å²	34.4	57%	0.57	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.3	173.3	-72.4	176.6	-177	174.2	0	109.6	I50 L75 E76	I50-K60 HydrophobicContact CG1-CG 4.08Å; K60-L75 PolarHBondContact O-N 3.48Å; K60-E76 HydrophobicContact CB-CG 4.42Å; K60-E76 PolarHBondContact N-OE1 3.44Å
61	G	93.4	Very high	94.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	170.8	-176.6	0	0	0	0	0	113	E48 V49 I59 R73	E48-G61 WeakPolarHBondContact CA-O 3.47Å; V49-G61 PolarHBondContact N-O 3.08Å; V49-G61 PolarHBondContact O-N 2.99Å; I59-G61 PolarHBondContact O-N 3.16Å; G61-R73 CarbonylContact C-O 3.13Å; G61-R73 WeakPolarHBondContact CA-O 3.23Å
62	R	93.7	Very high	94.3	Very high	74 Å²	74	33.2 Å²	33.2	28%	0.279	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.7	168.1	-173.5	169.4	-73.6	-143.6	8.9	108.7	D46 E48 Y64 L72 R73 L75	D46-R62 HydrophobicContact CB-CG 4.29Å; D46-R62 WeakPolarHBondContact OD2-CD 3.33Å; D46-R62 IonicContact OD2-CZ 3.53Å; D46-R62 IonicContact OD2-NE 3.71Å; D46-R62 IonicContact OD2-NH1 3.86Å; D46-R62 PolarHBondContact OD2-NH1 3.48Å; E48-R62 IonicContact OE1-CZ 2.86Å; E48-R62 IonicContact OE1-NE 3.58Å; E48-R62 IonicContact OE1-NH2 2.74Å; E48-R62 PolarHBondContact OE1-NH2 2.92Å; R62-Y64 HydrophobicContact CB-CE2 4.15Å; R62-Y64 WeakPolarHBondContact CD-OH 3.33Å; R62-Y64 HydrophobicContact CG-CD2 4.5Å; R62-Y64 HydrophobicContact CG-CE1 4.31Å; R62-Y64 HydrophobicContact CG-CE2 3.93Å; R62-L72 WeakPolarHBondContact O-CA 3.43Å; R62-R73 PolarHBondContact N-O 3.18Å; R62-R73 PolarHBondContact O-N 3.31Å; R62-L75 HydrophobicContact CB-CD2 4.33Å
63	V	95.2	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.5	174.3	169.7	0	0	0	0	108.7	D46 K47 V49 I65 L70 Y71 L72 F121 M133	D46-V63 CarbonylContact C-O 3.56Å; D46-V63 WeakPolarHBondContact CA-O 3.42Å; K47-V63 PolarHBondContact N-O 3.5Å; K47-V63 PolarHBondContact O-N 3.08Å; V49-V63 HydrophobicContact CG1-CG2 4.41Å; V49-V63 HydrophobicContact CG2-CB 4.3Å; V49-V63 HydrophobicContact CG2-CG2 3.45Å; V49-V63 VanDerWaalsContact CG2-CG2 3.45Å; V63-I65 HydrophobicContact CG1-CG1 3.93Å; V63-L70 HydrophobicContact CG1-CD1 4.12Å; V63-L70 HydrophobicContact CG1-CD2 3.81Å; V63-L70 HydrophobicContact CG1-CG 3.58Å; V63-L70 HydrophobicContact CG2-CD2 4.26Å; V63-Y71 CarbonylContact C-O 3.6Å; V63-Y71 WeakPolarHBondContact CA-O 3.33Å; V63-L72 HydrophobicContact CG2-CB 3.96Å; V63-L72 HydrophobicContact CG2-CD1 3.66Å; V63-L72 HydrophobicContact CG2-CG 4.02Å; V63-F121 HydrophobicContact CG2-CD1 4.31Å; V63-F121 HydrophobicContact CG2-CE1 3.96Å; V63-M133 HydrophobicContact CB-CE 4.22Å; V63-M133 HydrophobicContact CG1-CE 3.86Å; V63-M133 HydrophobicContact CG2-CE 4.42Å
64	Y	95.9	Very high	94.1	Very high	45 Å²	45	36.5 Å²	36.5	18%	0.176	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.8	171.4	-56.9	-94	0	0	0	108	V35 L43 D46 R62 Y71	V35-Y64 HydrophobicContact CG2-CD1 3.49Å; V35-Y64 VanDerWaalsContact CG2-CD1 3.49Å; V35-Y64 HydrophobicContact CG2-CD2 3.51Å; V35-Y64 HydrophobicContact CG2-CE1 3.7Å; V35-Y64 HydrophobicContact CG2-CE2 3.71Å; V35-Y64 HydrophobicContact CG2-CG 3.39Å; L43-Y64 HydrophobicContact CD1-CD1 4.11Å; D46-Y64 HydrophobicContact CB-CD1 3.56Å; D46-Y64 HydrophobicContact CB-CE1 3.86Å; D46-Y64 HydrophobicContact CB-CG 4.29Å; R62-Y64 HydrophobicContact CB-CE2 4.15Å; R62-Y64 WeakPolarHBondContact CD-OH 3.33Å; R62-Y64 HydrophobicContact CG-CD2 4.5Å; R62-Y64 HydrophobicContact CG-CE1 4.31Å; R62-Y64 HydrophobicContact CG-CE2 3.93Å; Y64-Y71 HydrophobicContact CD2-CD1 4.15Å; Y64-Y71 PolarHBondContact N-O 2.88Å; Y64-Y71 PolarHBondContact O-N 2.8Å
65	I	97.2	Very high	94	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.5	178	-57.7	166	0	0	0	107.1	I44 T45 V63 M133 I136 L137	I44-I65 WeakPolarHBondContact CA-O 3.32Å; I44-I65 WeakPolarHBondContact CB-O 3.33Å; I44-I65 PolarHBondContact N-O 3.31Å; T45-I65 HydrophobicContact CG2-CB 4.12Å; T45-I65 HydrophobicContact CG2-CD1 3.89Å; T45-I65 HydrophobicContact CG2-CG1 4.37Å; T45-I65 PolarHBondContact N-O 2.97Å; T45-I65 PolarHBondContact O-N 3.37Å; V63-I65 HydrophobicContact CG1-CG1 3.93Å; I65-M133 HydrophobicContact CD1-CE 4.41Å; I65-M133 HydrophobicContact CD1-CG 4.06Å; I65-I136 HydrophobicContact CD1-CG2 4.3Å; I65-I136 HydrophobicContact CG2-CG2 4.1Å; I65-L137 HydrophobicContact CB-CD2 4.49Å; I65-L137 HydrophobicContact CD1-CD1 4.32Å; I65-L137 HydrophobicContact CD1-CD2 3.54Å; I65-L137 HydrophobicContact CD1-CG 3.61Å; I65-L137 HydrophobicContact CG1-CD2 3.78Å; I65-L137 HydrophobicContact CG1-CG 4.4Å; I65-L137 HydrophobicContact CG2-CD2 3.89Å
66	T	97.7	Very high	93.7	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-178	174.1	72.2	0	0	0	0	110.1	E41 T42 L43 Y68 R69 L87	E41-T66 HydrophobicContact CG-CG2 3.97Å; E41-T66 VanDerWaalsContact OE1-CB 3.29Å; E41-T66 WeakPolarHBondContact OE1-CB 3.48Å; E41-T66 VanDerWaalsContact OE1-CG2 3.25Å; E41-T66 WeakPolarHBondContact OE1-CG2 3.43Å; E41-T66 PolarHBondContact OE1-OG1 2.86Å; T42-T66 WeakPolarHBondContact O-CA 3.45Å; T42-T66 VanDerWaalsContact O-CB 3.26Å; T42-T66 WeakPolarHBondContact O-CB 3.25Å; L43-T66 HydrophobicContact CD1-CG2 4.5Å; T66-Y68 PolarHBondContact O-N 3.23Å; T66-Y68 PolarHBondContact OG1-N 3.18Å; T66-R69 PolarHBondContact N-O 3.5Å; T66-R69 PolarHBondContact OG1-N 2.95Å; T66-R69 PolarHBondContact OG1-O 3.42Å; T66-L87 WeakPolarHBondContact O-CD1 3.1Å
67	N	97.6	Very high	92.8	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	21%	0.208	C	C	.	.	S	Bend	trans	-71.6	-0.8	166.9	62.2	-24.9	0	0	0	113.4	G40 E41 T42 Y140 L154	G40-N67 PolarHBondContact O-ND2 2.93Å; G40-N67 VanDerWaalsContact O-ND2 3.12Å; E41-N67 WeakPolarHBondContact CA-OD1 3.41Å; T42-N67 PolarHBondContact N-OD1 2.95Å; T42-N67 PolarHBondContact O-N 3.04Å; T42-N67 VanDerWaalsContact O-N 3.15Å; T42-N67 PolarHBondContact O-OD1 3.44Å; N67-Y140 HydrophobicContact CB-CD1 4.1Å; N67-Y140 HydrophobicContact CB-CE1 4.24Å; N67-L154 WeakPolarHBondContact ND2-CD1 3.26Å
68	Y	98.3	Very high	91.8	Very high	11 Å²	11	47.8 Å²	47.8	4%	0.043	24%	0.236	C	C	.	.	S	Bend	trans	-123.8	-43.2	-179.2	174.3	-124.4	0	0	0	114.2	L38 T66 P86 L87 F151 S472 R474	L38-Y68 HydrophobicContact CD1-CD1 3.96Å; L38-Y68 HydrophobicContact CD1-CE1 3.76Å; T66-Y68 PolarHBondContact O-N 3.23Å; T66-Y68 PolarHBondContact OG1-N 3.18Å; Y68-P86 HydrophobicContact CE2-CB 3.99Å; Y68-P86 CarbonylContact O-C 3.49Å; Y68-L87 WeakPolarHBondContact O-CB 3.45Å; Y68-L87 WeakPolarHBondContact O-CG 3.49Å; Y68-L87 PolarHBondContact O-N 3.47Å; Y68-F151 HydrophobicContact CD1-CD1 4.43Å; Y68-F151 HydrophobicContact CD1-CE1 4.23Å; Y68-F151 HydrophobicContact CD2-CB 3.9Å; Y68-F151 AromaticContact CD2-CD1 3.19Å; Y68-F151 HydrophobicContact CD2-CD1 3.19Å; Y68-F151 HydrophobicContact CD2-CD2 4.44Å; Y68-F151 AromaticContact CD2-CE1 3.81Å; Y68-F151 HydrophobicContact CD2-CE1 3.81Å; Y68-F151 AromaticContact CD2-CG 3.58Å; Y68-F151 HydrophobicContact CD2-CG 3.58Å; Y68-F151 AromaticContact CE2-CD1 3.84Å; Y68-F151 HydrophobicContact CE2-CD1 3.84Å; Y68-F151 HydrophobicContact CE2-CE1 4.37Å; Y68-F151 AromaticContact CG-CD1 3.55Å; Y68-F151 HydrophobicContact CG-CD1 3.55Å; Y68-F151 HydrophobicContact CG-CD2 4.32Å; Y68-F151 AromaticContact CG-CE1 3.73Å; Y68-F151 HydrophobicContact CG-CE1 3.73Å; Y68-F151 HydrophobicContact CG-CE2 4.47Å; Y68-F151 AromaticContact CG-CG 3.88Å; Y68-F151 HydrophobicContact CG-CG 3.88Å; Y68-F151 HydrophobicContact CG-CZ 4.2Å; Y68-S472 WeakPolarHBondContact CE2-O 3.12Å; Y68-R474 HydrophobicContact CE2-CB 3.77Å; Y68-R474 HydrophobicContact CE2-CG 4.37Å
69	R	97.8	Very high	90.6	Very high	22 Å²	22	45.9 Å²	45.9	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.9	-170.5	73	-172.2	121.3	-179	0.8	113.6	E41 T66 D84 V85	E41-R69 WeakPolarHBondContact OE1-CG 3.38Å; E41-R69 IonicContact OE1-CZ 3.24Å; E41-R69 IonicContact OE1-NE 3.5Å; E41-R69 PolarHBondContact OE1-NE 3.48Å; E41-R69 IonicContact OE1-NH2 2.73Å; E41-R69 IonicContact OE2-CZ 3.63Å; E41-R69 IonicContact OE2-NE 3.31Å; E41-R69 PolarHBondContact OE2-NE 3.21Å; E41-R69 IonicContact OE2-NH2 3Å; E41-R69 PolarHBondContact OE2-NH2 2.93Å; T66-R69 PolarHBondContact N-O 3.5Å; T66-R69 PolarHBondContact OG1-N 2.95Å; T66-R69 PolarHBondContact OG1-O 3.42Å; R69-D84 WeakPolarHBondContact CD-OD1 3.46Å; R69-D84 IonicContact CZ-OD2 3.31Å; R69-D84 IonicContact NH1-OD1 3.16Å; R69-D84 IonicContact NH1-OD2 2.95Å; R69-D84 PolarHBondContact NH1-OD2 2.82Å; R69-V85 CarbonylContact C-O 3.6Å; R69-V85 VanDerWaalsContact CA-O 3.26Å; R69-V85 WeakPolarHBondContact CA-O 3.43Å; R69-V85 WeakPolarHBondContact CB-O 3.42Å
70	L	97.1	Very high	89.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.7	160.8	-177.8	163.6	0	0	0	107.2	V63 V85 L87 I111 F121 L137	V63-L70 HydrophobicContact CG1-CD1 4.12Å; V63-L70 HydrophobicContact CG1-CD2 3.81Å; V63-L70 HydrophobicContact CG1-CG 3.58Å; V63-L70 HydrophobicContact CG2-CD2 4.26Å; L70-V85 HydrophobicContact CB-CB 4.37Å; L70-V85 PolarHBondContact N-O 3.27Å; L70-V85 PolarHBondContact O-N 2.94Å; L70-L87 HydrophobicContact CB-CD2 4.06Å; L70-I111 HydrophobicContact CD1-CD1 4.2Å; L70-F121 HydrophobicContact CD1-CE2 3.97Å; L70-F121 HydrophobicContact CD1-CZ 4.11Å; L70-F121 HydrophobicContact CD2-CZ 3.99Å; L70-L137 HydrophobicContact CD1-CD1 4.32Å; L70-L137 HydrophobicContact CD1-CD2 4.03Å
71	Y	96.3	Very high	89.2	Confident	26 Å²	26	46 Å²	46	10%	0.102	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.8	179.1	-172.6	-91.4	0	0	0	110.3	V35 V63 Y64 R73 I82 L83 D84	V35-Y71 HydrophobicContact CG1-CD1 3.69Å; V35-Y71 HydrophobicContact CG1-CE1 4.15Å; V35-Y71 HydrophobicContact CG1-CG 3.92Å; V35-Y71 HydrophobicContact CG2-CD1 4.35Å; V63-Y71 CarbonylContact C-O 3.6Å; V63-Y71 WeakPolarHBondContact CA-O 3.33Å; Y64-Y71 HydrophobicContact CD2-CD1 4.15Å; Y64-Y71 PolarHBondContact N-O 2.88Å; Y64-Y71 PolarHBondContact O-N 2.8Å; Y71-R73 HydrophobicContact CE1-CB 4.46Å; Y71-I82 HydrophobicContact CD2-CG2 4.37Å; Y71-I82 HydrophobicContact CE1-CG2 4.44Å; Y71-I82 HydrophobicContact CE2-CG2 3.5Å; Y71-I82 WeakPolarHBondContact OH-CG2 3.39Å; Y71-L83 CarbonylContact C-O 3.18Å; Y71-L83 VanDerWaalsContact CA-O 3.26Å; Y71-L83 WeakPolarHBondContact CA-O 3.46Å; Y71-D84 HydrophobicContact CD2-CB 4.12Å; Y71-D84 HydrophobicContact CE2-CB 4.42Å
72	L	94.8	Very high	88.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.2	175.8	-176.3	148.9	0	0	0	110.5	V49 Y51 R62 V63 L81 I82 L83 F121	V49-L72 HydrophobicContact CG2-CD1 4.06Å; Y51-L72 HydrophobicContact CG-CD1 4.25Å; R62-L72 WeakPolarHBondContact O-CA 3.43Å; V63-L72 HydrophobicContact CG2-CB 3.96Å; V63-L72 HydrophobicContact CG2-CD1 3.66Å; V63-L72 HydrophobicContact CG2-CG 4.02Å; L72-L81 HydrophobicContact CD2-CD2 4.28Å; L72-I82 WeakPolarHBondContact O-CA 3.08Å; L72-L83 HydrophobicContact CB-CB 3.97Å; L72-L83 HydrophobicContact CB-CD1 4.23Å; L72-L83 HydrophobicContact CB-CG 4.36Å; L72-L83 HydrophobicContact CD1-CD1 4.32Å; L72-L83 PolarHBondContact N-O 2.88Å; L72-L83 PolarHBondContact O-N 3.3Å; L72-F121 HydrophobicContact CD1-CD1 4.34Å; L72-F121 HydrophobicContact CD1-CE1 3.71Å
73	R	92	Very high	88.8	Confident	106 Å²	106	47.8 Å²	47.8	40%	0.4	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.1	165.2	-171.5	177.4	179.9	162.4	4.8	109.6	E33 G61 R62 Y71	E33-R73 IonicContact OE2-CZ 3.32Å; E33-R73 IonicContact OE2-NH1 2.88Å; E33-R73 PolarHBondContact OE2-NH1 2.85Å; E33-R73 IonicContact OE2-NH2 2.8Å; E33-R73 PolarHBondContact OE2-NH2 3.07Å; G61-R73 CarbonylContact C-O 3.13Å; G61-R73 WeakPolarHBondContact CA-O 3.23Å; R62-R73 PolarHBondContact N-O 3.18Å; R62-R73 PolarHBondContact O-N 3.31Å; Y71-R73 HydrophobicContact CE1-CB 4.46Å
74	S	91.3	Very high	88.8	Confident	11 Å²	11	50.8 Å²	50.8	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	140.8	170.5	173.6	0	0	0	0	111.3	E76 S79 L81	S74-E76 PolarHBondContact OG-N 3.3Å; S74-E76 VanDerWaalsContact OG-N 3.12Å; S74-E76 PolarHBondContact OG-O 2.97Å; S74-S79 WeakPolarHBondContact CB-O 3.38Å; S74-S79 WeakPolarHBondContact OG-CB 3.31Å; S74-S79 PolarHBondContact OG-O 2.88Å; S74-S79 VanDerWaalsContact OG-O 3.04Å; S74-L81 PolarHBondContact N-O 2.87Å; S74-L81 VanDerWaalsContact N-O 3.14Å
75	L	87.9	Confident	88.9	Confident	94 Å²	94	48.6 Å²	48.6	49%	0.492	27%	0.266	S	S	.	.			trans	-96.1	-6	171.8	-65.1	175.5	0	0	0	112.2	E48 K60 R62	E48-L75 HydrophobicContact CG-CD1 4.43Å; K60-L75 PolarHBondContact O-N 3.48Å; R62-L75 HydrophobicContact CB-CD2 4.33Å
76	E	84.5	Confident	88.9	Confident	78 Å²	78	49.7 Å²	49.7	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-83.5	130.5	178.4	-65.9	166.6	-163.1	0	0	109.9	K60 S74 D78 S79	K60-E76 HydrophobicContact CB-CG 4.42Å; K60-E76 PolarHBondContact N-OE1 3.44Å; S74-E76 PolarHBondContact OG-N 3.3Å; S74-E76 VanDerWaalsContact OG-N 3.12Å; S74-E76 PolarHBondContact OG-O 2.97Å; E76-D78 PolarHBondContact O-N 2.99Å; E76-S79 PolarHBondContact O-N 3.46Å
77	T	67.4	Low	89	Confident	139 Å²	139	49.8 Å²	49.8	85%	0.853	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.9	-174.8	44.1	0	0	0	0	113.9
78	D	69.7	Low	89	Confident	162 Å²	162	49.4 Å²	49.4	87%	0.866	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.3	-176	-58	-23.3	0	0	0	112.7	E76	E76-D78 PolarHBondContact O-N 2.99Å
79	S	68.8	Low	89	Confident	33 Å²	33	49.1 Å²	49.1	23%	0.231	27%	0.274	C	S	.	.			trans	-115.4	109.9	-176.9	177.5	0	0	0	0	110.7	S74 E76 L81	S74-S79 WeakPolarHBondContact CB-O 3.38Å; S74-S79 WeakPolarHBondContact OG-CB 3.31Å; S74-S79 PolarHBondContact OG-O 2.88Å; S74-S79 VanDerWaalsContact OG-O 3.04Å; E76-S79 PolarHBondContact O-N 3.46Å; S79-L81 PolarHBondContact O-N 2.86Å
80	A	74.3	Confident	89	Confident	101 Å²	101	48.1 Å²	48.1	84%	0.835	27%	0.27	S	S	*	.			trans	-85.2	25.1	174.4	0	0	0	0	0	112.9	I82	A80-I82 PolarHBondContact O-N 3.13Å
81	L	82.6	Confident	89.1	Confident	44 Å²	44	49.3 Å²	49.3	23%	0.23	28%	0.278	C	S	.	.			trans	-62.8	124.1	-176.9	179.4	68.5	0	0	0	111.1	Y51 I59 L72 S74 S79 L83	Y51-L81 HydrophobicContact CD1-CD2 3.64Å; Y51-L81 HydrophobicContact CE1-CD2 3.91Å; I59-L81 HydrophobicContact CD1-CD2 3.51Å; I59-L81 HydrophobicContact CG2-CD2 4.41Å; L72-L81 HydrophobicContact CD2-CD2 4.28Å; S74-L81 PolarHBondContact N-O 2.87Å; S74-L81 VanDerWaalsContact N-O 3.14Å; S79-L81 PolarHBondContact O-N 2.86Å; L81-L83 HydrophobicContact CD1-CD2 4.18Å; L81-L83 HydrophobicContact CD1-CG 4.45Å; L81-L83 HydrophobicContact CD2-CG 4.41Å; L81-L83 HydrophobicContact CG-CG 4.42Å
82	I	86.9	Confident	89.1	Confident	93 Å²	93	52.3 Å²	52.3	48%	0.477	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.2	167.8	-63.9	169.6	0	0	0	107.9	Y71 L72 A80	Y71-I82 HydrophobicContact CD2-CG2 4.37Å; Y71-I82 HydrophobicContact CE1-CG2 4.44Å; Y71-I82 HydrophobicContact CE2-CG2 3.5Å; Y71-I82 WeakPolarHBondContact OH-CG2 3.39Å; L72-I82 WeakPolarHBondContact O-CA 3.08Å; A80-I82 PolarHBondContact O-N 3.13Å
83	L	92.1	Very high	89.3	Confident	19 Å²	19	53 Å²	53	10%	0.099	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.8	165.7	-59.5	171.6	0	0	0	108.6	Y51 Y71 L72 L81 V85	Y51-L83 HydrophobicContact CD1-CD1 3.79Å; Y51-L83 HydrophobicContact CD2-CD1 3.95Å; Y51-L83 HydrophobicContact CE1-CD1 3.63Å; Y51-L83 HydrophobicContact CE1-CD2 4.44Å; Y51-L83 HydrophobicContact CE1-CG 4.47Å; Y51-L83 HydrophobicContact CE2-CD1 3.83Å; Y51-L83 HydrophobicContact CG-CD1 3.93Å; Y71-L83 CarbonylContact C-O 3.18Å; Y71-L83 VanDerWaalsContact CA-O 3.26Å; Y71-L83 WeakPolarHBondContact CA-O 3.46Å; L72-L83 HydrophobicContact CB-CB 3.97Å; L72-L83 HydrophobicContact CB-CD1 4.23Å; L72-L83 HydrophobicContact CB-CG 4.36Å; L72-L83 HydrophobicContact CD1-CD1 4.32Å; L72-L83 PolarHBondContact N-O 2.88Å; L72-L83 PolarHBondContact O-N 3.3Å; L81-L83 HydrophobicContact CD1-CD2 4.18Å; L81-L83 HydrophobicContact CD1-CG 4.45Å; L81-L83 HydrophobicContact CD2-CG 4.41Å; L81-L83 HydrophobicContact CG-CG 4.42Å; L83-V85 HydrophobicContact CB-CG2 4.44Å
84	D	94.9	Very high	89.5	Confident	62 Å²	62	51.2 Å²	51.2	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.1	171	-167.3	-23.5	0	0	0	108.7	R69 Y71	R69-D84 WeakPolarHBondContact CD-OD1 3.46Å; R69-D84 IonicContact CZ-OD2 3.31Å; R69-D84 IonicContact NH1-OD1 3.16Å; R69-D84 IonicContact NH1-OD2 2.95Å; R69-D84 PolarHBondContact NH1-OD2 2.82Å; Y71-D84 HydrophobicContact CD2-CB 4.12Å; Y71-D84 HydrophobicContact CE2-CB 4.42Å
85	V	97.4	Very high	89.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	102	-171.5	-171.5	0	0	0	0	109.4	R69 L70 L83 L87 L119	R69-V85 CarbonylContact C-O 3.6Å; R69-V85 VanDerWaalsContact CA-O 3.26Å; R69-V85 WeakPolarHBondContact CA-O 3.43Å; R69-V85 WeakPolarHBondContact CB-O 3.42Å; L70-V85 HydrophobicContact CB-CB 4.37Å; L70-V85 PolarHBondContact N-O 3.27Å; L70-V85 PolarHBondContact O-N 2.94Å; L83-V85 HydrophobicContact CB-CG2 4.44Å; V85-L87 PolarHBondContact O-N 2.74Å; V85-L119 HydrophobicContact CB-CD1 4.37Å; V85-L119 HydrophobicContact CG1-CD1 4.02Å; V85-L119 HydrophobicContact CG2-CD1 3.79Å
86	P	98.3	Very high	90	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.1	171.6	-24.5	34.1	0	0	0	110.8	Y68 G88 V89	Y68-P86 HydrophobicContact CE2-CB 3.99Å; Y68-P86 CarbonylContact O-C 3.49Å; P86-G88 PolarHBondContact O-N 3.37Å; P86-V89 HydrophobicContact CB-CG2 4.09Å; P86-V89 HydrophobicContact CG-CG2 4.45Å; P86-V89 VanDerWaalsContact O-CB 3.26Å; P86-V89 WeakPolarHBondContact O-CB 3.39Å; P86-V89 WeakPolarHBondContact O-CG2 3.29Å; P86-V89 PolarHBondContact O-N 2.92Å
87	L	98.5	Very high	90.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-63.6	-28.3	-174.8	-63.7	178.9	0	0	0	112.3	T66 Y68 L70 V85 V89 I90 L137 A141	T66-L87 WeakPolarHBondContact O-CD1 3.1Å; Y68-L87 WeakPolarHBondContact O-CB 3.45Å; Y68-L87 WeakPolarHBondContact O-CG 3.49Å; Y68-L87 PolarHBondContact O-N 3.47Å; L70-L87 HydrophobicContact CB-CD2 4.06Å; V85-L87 PolarHBondContact O-N 2.74Å; L87-V89 PolarHBondContact O-N 2.74Å; L87-V89 VanDerWaalsContact O-N 3.14Å; L87-I90 HydrophobicContact CD2-CD1 3.75Å; L87-I90 VanDerWaalsContact O-CB 3.31Å; L87-I90 WeakPolarHBondContact O-CB 3.21Å; L87-I90 PolarHBondContact O-N 2.57Å; L87-L137 HydrophobicContact CD2-CD2 3.98Å; L87-A141 HydrophobicContact CB-CB 4.17Å
88	G	98.2	Very high	91	Very high	11 Å²	11	44 Å²	44	11%	0.113	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-63	-17.5	176.1	0	0	0	0	0	114.8	P86 K114 Y471	P86-G88 PolarHBondContact O-N 3.37Å; G88-K114 PolarHBondContact O-NZ 3.5Å; G88-K114 VanDerWaalsContact O-NZ 3.17Å; G88-Y471 CarbonylContact C-O 3.54Å; G88-Y471 WeakPolarHBondContact CA-O 3.42Å
89	V	98.4	Very high	91.4	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.03	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-77.7	-22.4	174.1	-178.8	0	0	0	0	111.6	P86 L87 S91 C113 K114 D115	P86-V89 HydrophobicContact CB-CG2 4.09Å; P86-V89 HydrophobicContact CG-CG2 4.45Å; P86-V89 VanDerWaalsContact O-CB 3.26Å; P86-V89 WeakPolarHBondContact O-CB 3.39Å; P86-V89 WeakPolarHBondContact O-CG2 3.29Å; P86-V89 PolarHBondContact O-N 2.92Å; L87-V89 PolarHBondContact O-N 2.74Å; L87-V89 VanDerWaalsContact O-N 3.14Å; V89-S91 PolarHBondContact O-N 3.01Å; V89-C113 HydrophobicContact CG1-CB 3.99Å; V89-C113 CarbonylContact O-C 3.55Å; V89-C113 WeakPolarHBondContact O-CA 3.48Å; V89-K114 HydrophobicContact CG1-CB 4.47Å; V89-K114 WeakPolarHBondContact O-CB 3.44Å; V89-K114 VanDerWaalsContact O-CG 3.28Å; V89-K114 WeakPolarHBondContact O-CG 3.25Å; V89-K114 PolarHBondContact O-N 2.78Å; V89-D115 HydrophobicContact CG1-CB 3.69Å; V89-D115 WeakPolarHBondContact CG1-OD1 3.23Å; V89-D115 WeakPolarHBondContact CG1-OD2 3.39Å
90	I	98.7	Very high	92	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126	179.1	-61.6	175.3	0	0	0	109	L87 I93 I111 A141 F142	L87-I90 HydrophobicContact CD2-CD1 3.75Å; L87-I90 VanDerWaalsContact O-CB 3.31Å; L87-I90 WeakPolarHBondContact O-CB 3.21Å; L87-I90 PolarHBondContact O-N 2.57Å; I90-I93 HydrophobicContact CG2-CD1 4.13Å; I90-I93 HydrophobicContact CG2-CG1 3.65Å; I90-I111 HydrophobicContact CB-CG2 4.25Å; I90-I111 HydrophobicContact CD1-CG2 3.99Å; I90-I111 HydrophobicContact CG1-CG2 3.79Å; I90-I111 HydrophobicContact CG2-CG2 3.62Å; I90-A141 HydrophobicContact CB-CB 4.08Å; I90-A141 HydrophobicContact CD1-CB 4.08Å; I90-A141 HydrophobicContact CG2-CB 4.25Å; I90-F142 HydrophobicContact CG2-CZ 4.06Å
91	S	97.8	Very high	92.4	Very high	24 Å²	24	42.1 Å²	42.1	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-43.5	176.5	-168.6	0	0	0	0	111.2	V89 T112 H429	V89-S91 PolarHBondContact O-N 3.01Å; S91-T112 WeakPolarHBondContact CA-O 3.29Å; S91-T112 WeakPolarHBondContact CB-O 3.29Å; S91-T112 PolarHBondContact N-O 2.95Å; S91-H429 WeakPolarHBondContact O-CB 3.46Å
92	R	97.5	Very high	92.2	Very high	89 Å²	89	51.6 Å²	51.6	34%	0.336	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.4	-174.6	-173.7	-173.3	-175.6	-170.4	2.3	110.1	E94 I111 T112 H429	R92-E94 HydrophobicContact CG-CG 4Å; R92-E94 IonicContact CZ-OE1 3.54Å; R92-E94 IonicContact CZ-OE2 3.73Å; R92-E94 IonicContact NE-OE1 3.39Å; R92-E94 PolarHBondContact NE-OE1 3.24Å; R92-E94 IonicContact NE-OE2 3.76Å; R92-E94 PolarHBondContact NE-OE2 2.89Å; R92-E94 IonicContact NH1-OE1 3.58Å; R92-E94 IonicContact NH1-OE2 2.82Å; R92-E94 PolarHBondContact NH1-OE2 3.22Å; R92-E94 IonicContact NH2-OE1 3.21Å; R92-E94 PolarHBondContact NH2-OE1 3.28Å; R92-E94 IonicContact NH2-OE2 3.97Å; R92-E94 PolarHBondContact NH2-OE2 3.26Å; R92-I111 CarbonylContact O-C 3.59Å; R92-I111 WeakPolarHBondContact O-CA 3.23Å; R92-T112 PolarHBondContact N-O 3.22Å; R92-T112 PolarHBondContact O-N 3.14Å; R92-H429 HydrophobicContact CB-CB 4.33Å; R92-H429 PolarHBondContact NE-NE2 2.9Å
93	I	98.2	Very high	91.9	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.7	173.6	-53.5	169.2	0	0	0	107.3	I90 L109 I111 F134 L137 A141 F142	I90-I93 HydrophobicContact CG2-CD1 4.13Å; I90-I93 HydrophobicContact CG2-CG1 3.65Å; I93-L109 HydrophobicContact CG2-CD2 4.46Å; I93-I111 HydrophobicContact CG1-CG2 4.42Å; I93-I111 HydrophobicContact CG2-CG1 4.36Å; I93-F134 HydrophobicContact CB-CD2 4.43Å; I93-F134 HydrophobicContact CB-CE2 4.18Å; I93-F134 HydrophobicContact CG2-CD2 3.61Å; I93-F134 HydrophobicContact CG2-CE2 3.82Å; I93-L137 HydrophobicContact CD1-CB 3.69Å; I93-A141 HydrophobicContact CD1-CB 4.4Å; I93-F142 HydrophobicContact CD1-CE2 3.96Å; I93-F142 HydrophobicContact CD1-CZ 4.44Å; I93-F142 HydrophobicContact CG1-CE2 4.27Å; I93-F142 HydrophobicContact CG1-CZ 4.41Å
94	E	97.1	Very high	91.5	Very high	67 Å²	67	57 Å²	57	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.4	179.2	-58	-165	84.4	0	0	111.1	R92 L109 D110	R92-E94 HydrophobicContact CG-CG 4Å; R92-E94 IonicContact CZ-OE1 3.54Å; R92-E94 IonicContact CZ-OE2 3.73Å; R92-E94 IonicContact NE-OE1 3.39Å; R92-E94 PolarHBondContact NE-OE1 3.24Å; R92-E94 IonicContact NE-OE2 3.76Å; R92-E94 PolarHBondContact NE-OE2 2.89Å; R92-E94 IonicContact NH1-OE1 3.58Å; R92-E94 IonicContact NH1-OE2 2.82Å; R92-E94 PolarHBondContact NH1-OE2 3.22Å; R92-E94 IonicContact NH2-OE1 3.21Å; R92-E94 PolarHBondContact NH2-OE1 3.28Å; R92-E94 IonicContact NH2-OE2 3.97Å; R92-E94 PolarHBondContact NH2-OE2 3.26Å; E94-L109 VanDerWaalsContact O-CA 3.32Å; E94-L109 WeakPolarHBondContact O-CA 3.21Å; E94-D110 HydrophobicContact CB-CB 4.43Å; E94-D110 PolarHBondContact N-O 3.33Å; E94-D110 PolarHBondContact O-N 3.41Å
95	K	96.3	Very high	91.1	Very high	93 Å²	93	55.8 Å²	55.8	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.7	173.8	-68.6	177	-177	172.1	0	108.8	L109 R130 F134	K95-L109 HydrophobicContact CG-CD2 4.19Å; K95-R130 HydrophobicContact CG-CG 4.48Å; K95-F134 HydrophobicContact CD-CD2 4.42Å; K95-F134 HydrophobicContact CD-CG 4.38Å; K95-F134 HydrophobicContact CG-CD2 3.78Å; K95-F134 HydrophobicContact CG-CE2 4.14Å; K95-F134 HydrophobicContact CG-CG 4.16Å
96	M	93	Very high	90.7	Very high	17 Å²	17	57.2 Å²	57.2	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.6	172.3	-58.6	-171.6	-53.2	0	0	111	Y107 G108 L109 D110 R120 F121 R130	M96-Y107 WeakPolarHBondContact O-CA 3.44Å; M96-G108 PolarHBondContact N-O 2.94Å; M96-G108 PolarHBondContact O-N 3.48Å; M96-L109 WeakPolarHBondContact CE-O 3.22Å; M96-D110 HydrophobicContact CG-CB 3.81Å; M96-D110 HydrophobicContact SD-CB 3.88Å; M96-R120 HydrophobicContact CE-CG 3.42Å; M96-R120 VanDerWaalsContact CE-CG 3.42Å; M96-R120 HydrophobicContact SD-CG 3.55Å; M96-R120 VanDerWaalsContact SD-CG 3.55Å; M96-R120 VanDerWaalsContact SD-CZ 3.5Å; M96-R120 PolarHBondContact SD-NE 3.04Å; M96-F121 WeakPolarHBondContact CE-O 3.37Å; M96-R130 PolarHBondContact O-NH1 3.03Å
97	G	87.9	Confident	90.5	Very high	40 Å²	40	57.3 Å²	57.3	41%	0.412	32%	0.32	S	S	.	.			trans	71	-177	177.3	0	0	0	0	0	114.5	S101 S106 R130	G97-S101 WeakPolarHBondContact CA-OG 3.11Å; G97-S106 VanDerWaalsContact CA-O 3.3Å; G97-S106 WeakPolarHBondContact CA-O 3.33Å; G97-S106 PolarHBondContact N-O 3.01Å; G97-R130 PolarHBondContact O-NH1 3.3Å
98	G	84.1	Confident	90.3	Very high	20 Å²	20	57.1 Å²	57.1	21%	0.206	32%	0.32	C	S	.	.			trans	-159.1	-168.6	-179.3	0	0	0	0	0	111.4	T100 S101	G98-T100 PolarHBondContact O-N 3.2Å; G98-T100 VanDerWaalsContact O-N 3.12Å; G98-S101 PolarHBondContact N-OG 3.46Å; G98-S101 WeakPolarHBondContact O-CB 3.23Å; G98-S101 PolarHBondContact O-N 3.22Å; G98-S101 PolarHBondContact O-OG 3.12Å
99	A	77.9	Confident	90.3	Very high	104 Å²	104	56.6 Å²	56.6	86%	0.86	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.5	-179.5	0	0	0	0	0	113.4
100	T	82.1	Confident	90.3	Very high	124 Å²	124	58.4 Å²	58.4	76%	0.761	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.8	179.7	54	0	0	0	0	113.6	G98 R102	G98-T100 PolarHBondContact O-N 3.2Å; G98-T100 VanDerWaalsContact O-N 3.12Å; T100-R102 PolarHBondContact O-N 3.37Å
101	S	83.6	Confident	90.2	Very high	29 Å²	29	58.3 Å²	58.3	20%	0.203	32%	0.323	C	S	.	.			trans	-74.7	108.5	-179.3	-64	0	0	0	0	110.3	G97 G98 S106 Q125	G97-S101 WeakPolarHBondContact CA-OG 3.11Å; G98-S101 PolarHBondContact N-OG 3.46Å; G98-S101 WeakPolarHBondContact O-CB 3.23Å; G98-S101 PolarHBondContact O-N 3.22Å; G98-S101 PolarHBondContact O-OG 3.12Å; S101-S106 WeakPolarHBondContact CB-OG 3.48Å; S101-Q125 PolarHBondContact O-NE2 2.97Å
102	R	77.1	Confident	90.3	Very high	243 Å²	243	58.7 Å²	58.7	92%	0.917	33%	0.325	S	S	*	.			trans	-101.5	-6	-178.7	-62.5	-175.7	-178.1	-175.8	0.1	114.1	T100	T100-R102 PolarHBondContact O-N 3.37Å
103	G	80	Confident	90.3	Very high	46 Å²	46	54.6 Å²	54.6	47%	0.474	31%	0.31	S	S	.	.	S	Bend	trans	-73.8	148.6	-179.7	0	0	0	0	0	112.4	N105 S106	G103-N105 PolarHBondContact O-N 2.98Å; G103-S106 PolarHBondContact N-OG 2.94Å; G103-S106 VanDerWaalsContact O-CB 3.26Å; G103-S106 WeakPolarHBondContact O-CB 3.34Å; G103-S106 PolarHBondContact O-N 2.87Å; G103-S106 PolarHBondContact O-OG 3.21Å
104	E	84.3	Confident	90.3	Very high	179 Å²	179	55.3 Å²	55.3	84%	0.836	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	136.6	171.5	-162.5	-175.2	172.8	0	0	110.1	S106	E104-S106 PolarHBondContact O-N 3.19Å
105	N	87.5	Confident	90.3	Very high	37 Å²	37	52.3 Å²	52.3	20%	0.198	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	22.2	179.4	-56.7	-44.1	0	0	0	115.2	I50 I52 G103 A122	I50-N105 VanDerWaalsContact CD1-OD1 3.26Å; I50-N105 WeakPolarHBondContact CD1-OD1 3.35Å; I52-N105 HydrophobicContact CD1-CB 3.92Å; G103-N105 PolarHBondContact O-N 2.98Å; N105-A122 HydrophobicContact CB-CB 3.71Å
106	S	88.9	Confident	90.4	Very high	30 Å²	30	48 Å²	48	21%	0.21	28%	0.279	C	S	.	.			trans	-88	-6.9	-175.4	66.5	0	0	0	0	114.8	G97 S101 G103 E104	G97-S106 VanDerWaalsContact CA-O 3.3Å; G97-S106 WeakPolarHBondContact CA-O 3.33Å; G97-S106 PolarHBondContact N-O 3.01Å; S101-S106 WeakPolarHBondContact CB-OG 3.48Å; G103-S106 PolarHBondContact N-OG 2.94Å; G103-S106 VanDerWaalsContact O-CB 3.26Å; G103-S106 WeakPolarHBondContact O-CB 3.34Å; G103-S106 PolarHBondContact O-N 2.87Å; G103-S106 PolarHBondContact O-OG 3.21Å; E104-S106 PolarHBondContact O-N 3.19Å
107	Y	93.1	Very high	90.5	Very high	24 Å²	24	47.8 Å²	47.8	9%	0.094	28%	0.278	C	S	.	.	S	Bend	trans	-115.1	124.5	-179.9	-177.8	-90.7	0	0	0	110.6	M96 A122 L123 Q125 R130	M96-Y107 WeakPolarHBondContact O-CA 3.44Å; Y107-A122 CarbonylContact O-C 3.5Å; Y107-A122 WeakPolarHBondContact O-CA 3.26Å; Y107-L123 HydrophobicContact CD1-CB 4.4Å; Y107-L123 WeakPolarHBondContact CD1-O 3.33Å; Y107-L123 PolarHBondContact O-N 2.76Å; Y107-Q125 HydrophobicContact CD1-CG 3.84Å; Y107-Q125 HydrophobicContact CD2-CG 3.8Å; Y107-Q125 HydrophobicContact CE1-CG 4.32Å; Y107-Q125 HydrophobicContact CE2-CG 4.26Å; Y107-Q125 HydrophobicContact CG-CG 3.55Å; Y107-R130 HydrophobicContact CD1-CB 4.17Å; Y107-R130 HydrophobicContact CE1-CB 3.31Å; Y107-R130 HydrophobicContact CE1-CG 4.15Å; Y107-R130 PolarHBondContact OH-NE 2.99Å
108	G	95.4	Very high	90.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-142.1	179.7	0	0	0	0	0	114.6	M96 F121 R130	M96-G108 PolarHBondContact N-O 2.94Å; M96-G108 PolarHBondContact O-N 3.48Å; G108-F121 CarbonylContact C-O 3.58Å; G108-F121 WeakPolarHBondContact CA-O 3.19Å; G108-R130 WeakPolarHBondContact O-CD 3.26Å
109	L	97.5	Very high	91.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.1	-177	-58.7	-179.6	0	0	0	112.6	I93 E94 K95 M96 I111 R120 F121 L123 R130 M133 F134 L137	I93-L109 HydrophobicContact CG2-CD2 4.46Å; E94-L109 VanDerWaalsContact O-CA 3.32Å; E94-L109 WeakPolarHBondContact O-CA 3.21Å; K95-L109 HydrophobicContact CG-CD2 4.19Å; M96-L109 WeakPolarHBondContact CE-O 3.22Å; L109-I111 HydrophobicContact CB-CG1 4.49Å; L109-R120 WeakPolarHBondContact O-CA 3.41Å; L109-F121 PolarHBondContact N-O 2.98Å; L109-F121 PolarHBondContact O-N 2.81Å; L109-L123 HydrophobicContact CG-CD1 4.11Å; L109-R130 HydrophobicContact CD2-CG 3.75Å; L109-R130 HydrophobicContact CG-CG 4.33Å; L109-M133 HydrophobicContact CD1-CB 4.14Å; L109-M133 HydrophobicContact CD1-CE 4.47Å; L109-M133 HydrophobicContact CD1-CG 3.77Å; L109-M133 HydrophobicContact CD1-SD 3.85Å; L109-F134 HydrophobicContact CD2-CB 3.96Å; L109-F134 HydrophobicContact CD2-CD2 3.97Å; L109-F134 HydrophobicContact CD2-CG 4.46Å; L109-L137 HydrophobicContact CD1-CD1 3.89Å
110	D	97.4	Very high	92.5	Very high	42 Å²	42	47.7 Å²	47.7	23%	0.225	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.3	165.8	-161.3	-26	0	0	0	108.5	E94 M96	E94-D110 HydrophobicContact CB-CB 4.43Å; E94-D110 PolarHBondContact N-O 3.33Å; E94-D110 PolarHBondContact O-N 3.41Å; M96-D110 HydrophobicContact CG-CB 3.81Å; M96-D110 HydrophobicContact SD-CB 3.88Å
111	I	98.3	Very high	93.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.9	-174.4	-53	-172.8	0	0	0	108.6	L70 I90 R92 I93 L109 N118 L119 F121 L137	L70-I111 HydrophobicContact CD1-CD1 4.2Å; I90-I111 HydrophobicContact CB-CG2 4.25Å; I90-I111 HydrophobicContact CD1-CG2 3.99Å; I90-I111 HydrophobicContact CG1-CG2 3.79Å; I90-I111 HydrophobicContact CG2-CG2 3.62Å; R92-I111 CarbonylContact O-C 3.59Å; R92-I111 WeakPolarHBondContact O-CA 3.23Å; I93-I111 HydrophobicContact CG1-CG2 4.42Å; I93-I111 HydrophobicContact CG2-CG1 4.36Å; L109-I111 HydrophobicContact CB-CG1 4.49Å; I111-N118 CarbonylContact O-C 3.51Å; I111-N118 VanDerWaalsContact O-CA 3.26Å; I111-N118 WeakPolarHBondContact O-CA 3.48Å; I111-L119 HydrophobicContact CB-CB 4.2Å; I111-L119 PolarHBondContact N-O 3.28Å; I111-L119 PolarHBondContact O-N 3.31Å; I111-F121 HydrophobicContact CD1-CD2 4.04Å; I111-F121 HydrophobicContact CD1-CE2 3.83Å; I111-L137 HydrophobicContact CD1-CD1 3.83Å
112	T	98.2	Very high	93.7	Very high	33 Å²	33	40.5 Å²	40.5	20%	0.202	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124	174.3	-56	0	0	0	0	109.8	S91 R92 N118 K325	S91-T112 WeakPolarHBondContact CA-O 3.29Å; S91-T112 WeakPolarHBondContact CB-O 3.29Å; S91-T112 PolarHBondContact N-O 2.95Å; R92-T112 PolarHBondContact N-O 3.22Å; R92-T112 PolarHBondContact O-N 3.14Å; T112-N118 WeakPolarHBondContact CA-OD1 3.49Å; T112-N118 WeakPolarHBondContact CG2-OD1 3.3Å; T112-K325 VanDerWaalsContact CG2-NZ 3.33Å
113	C	98.4	Very high	94.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	153.5	-180	-59.4	0	0	0	0	111.7	V89 D115 R117 K325	V89-C113 HydrophobicContact CG1-CB 3.99Å; V89-C113 CarbonylContact O-C 3.55Å; V89-C113 WeakPolarHBondContact O-CA 3.48Å; C113-D115 VanDerWaalsContact C-N 3.32Å; C113-D115 WeakPolarHBondContact CB-OD1 3.42Å; C113-R117 HydrophobicContact CB-CG 4.03Å; C113-R117 VanDerWaalsContact CB-O 3.28Å; C113-R117 WeakPolarHBondContact CB-O 3.33Å; C113-R117 PolarHBondContact N-O 3.45Å; C113-K325 PolarHBondContact O-NZ 3.21Å
114	K	98.3	Very high	94.9	Very high	31 Å²	31	34.7 Å²	34.7	14%	0.135	16%	0.164	C	C	.	.	S	Bend	trans	-75.1	-21.7	178.5	-63.9	171.4	-169.6	177.9	0	112.6	G88 V89 M116 I422 G423 Y471	G88-K114 PolarHBondContact O-NZ 3.5Å; G88-K114 VanDerWaalsContact O-NZ 3.17Å; V89-K114 HydrophobicContact CG1-CB 4.47Å; V89-K114 WeakPolarHBondContact O-CB 3.44Å; V89-K114 VanDerWaalsContact O-CG 3.28Å; V89-K114 WeakPolarHBondContact O-CG 3.25Å; V89-K114 PolarHBondContact O-N 2.78Å; K114-M116 VanDerWaalsContact C-N 3.3Å; K114-M116 PolarHBondContact O-N 2.85Å; K114-I422 HydrophobicContact CD-CG2 4.39Å; K114-I422 WeakPolarHBondContact CE-O 3.18Å; K114-I422 PolarHBondContact NZ-O 3.12Å; K114-G423 PolarHBondContact NZ-O 2.81Å; K114-G423 VanDerWaalsContact NZ-O 3.07Å; K114-Y471 HydrophobicContact CB-CD1 3.88Å; K114-Y471 HydrophobicContact CB-CD2 4.42Å; K114-Y471 HydrophobicContact CB-CE1 3.95Å; K114-Y471 HydrophobicContact CB-CE2 4.48Å; K114-Y471 HydrophobicContact CB-CG 4.13Å; K114-Y471 HydrophobicContact CD-CD1 3.65Å; K114-Y471 HydrophobicContact CD-CE1 4.16Å; K114-Y471 HydrophobicContact CD-CG 4.32Å; K114-Y471 HydrophobicContact CG-CD1 4.37Å
115	D	97.4	Very high	94.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	15%	0.145	C	C	.	.	S	Bend	trans	-89.9	32.9	-175.5	65.6	-13.5	0	0	0	113.3	V89 C113 R117 W541	V89-D115 HydrophobicContact CG1-CB 3.69Å; V89-D115 WeakPolarHBondContact CG1-OD1 3.23Å; V89-D115 WeakPolarHBondContact CG1-OD2 3.39Å; C113-D115 VanDerWaalsContact C-N 3.32Å; C113-D115 WeakPolarHBondContact CB-OD1 3.42Å; D115-R117 PolarHBondContact O-N 2.83Å; D115-R117 WeakPolarHBondContact OD1-CG 2.97Å; D115-R117 IonicContact OD1-NE 3.42Å; D115-R117 PolarHBondContact OD1-NE 2.83Å; D115-R117 IonicContact OD2-CZ 2.97Å; D115-R117 VanDerWaalsContact OD2-CZ 3.25Å; D115-R117 IonicContact OD2-NE 2.61Å; D115-R117 PolarHBondContact OD2-NE 3.15Å; D115-R117 IonicContact OD2-NH2 3.65Å; D115-R117 PolarHBondContact OD2-NH2 3.28Å; D115-W541 HydrophobicContact CB-CZ2 4.09Å; D115-W541 PolarHBondContact O-NE1 3.04Å; D115-W541 WeakPolarHBondContact OD2-CZ2 3.26Å
116	M	96.9	Very high	94.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.015	17%	0.172	C	C	.	.	S	Bend	trans	70.9	14.1	176	-47.7	-59.1	-69	0	0	116.9	K114 L321 V324 K325 V328 Y329 Y538	K114-M116 VanDerWaalsContact C-N 3.3Å; K114-M116 PolarHBondContact O-N 2.85Å; M116-L321 HydrophobicContact CE-CD1 4.01Å; M116-L321 HydrophobicContact SD-CD1 3.84Å; M116-L321 HydrophobicContact SD-CG 4.32Å; M116-V324 HydrophobicContact CE-CB 4.35Å; M116-V324 HydrophobicContact CE-CG1 3.89Å; M116-K325 VanDerWaalsContact CE-CA 3.48Å; M116-K325 HydrophobicContact CE-CB 3.63Å; M116-K325 HydrophobicContact CE-CG 4.25Å; M116-K325 HydrophobicContact SD-CB 4.39Å; M116-V328 HydrophobicContact CE-CG2 4.06Å; M116-Y329 WeakPolarHBondContact O-CB 3.43Å; M116-Y538 HydrophobicContact CE-CD1 3.89Å; M116-Y538 HydrophobicContact CG-CD1 4.02Å; M116-Y538 HydrophobicContact SD-CD1 4.15Å
117	R	95.7	Very high	94.1	Very high	12 Å²	12	38.2 Å²	38.2	5%	0.045	20%	0.195	C	C	.	.			trans	-122.3	166.6	171.6	52.4	175	174	-179.4	-3.1	113.7	C113 D115 K325 Y329 W541	C113-R117 HydrophobicContact CB-CG 4.03Å; C113-R117 VanDerWaalsContact CB-O 3.28Å; C113-R117 WeakPolarHBondContact CB-O 3.33Å; C113-R117 PolarHBondContact N-O 3.45Å; D115-R117 PolarHBondContact O-N 2.83Å; D115-R117 WeakPolarHBondContact OD1-CG 2.97Å; D115-R117 IonicContact OD1-NE 3.42Å; D115-R117 PolarHBondContact OD1-NE 2.83Å; D115-R117 IonicContact OD2-CZ 2.97Å; D115-R117 VanDerWaalsContact OD2-CZ 3.25Å; D115-R117 IonicContact OD2-NE 2.61Å; D115-R117 PolarHBondContact OD2-NE 3.15Å; D115-R117 IonicContact OD2-NH2 3.65Å; D115-R117 PolarHBondContact OD2-NH2 3.28Å; R117-K325 PolarHBondContact O-NZ 3.46Å; R117-K325 VanDerWaalsContact O-NZ 3.13Å; R117-Y329 HydrophobicContact CB-CD2 4.2Å; R117-Y329 HydrophobicContact CB-CE1 4.17Å; R117-Y329 HydrophobicContact CB-CE2 3.68Å; R117-W541 HydrophobicContact CB-CG 4.01Å; R117-W541 HydrophobicContact CG-CD2 4.3Å; R117-W541 HydrophobicContact CG-CG 4.26Å; R117-W541 HydrophobicContact CG-CZ2 4.5Å
118	N	97.1	Very high	93.6	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.2	163.9	-63	-26.1	0	0	0	108.5	I111 T112 K325 Y329	I111-N118 CarbonylContact O-C 3.51Å; I111-N118 VanDerWaalsContact O-CA 3.26Å; I111-N118 WeakPolarHBondContact O-CA 3.48Å; T112-N118 WeakPolarHBondContact CA-OD1 3.49Å; T112-N118 WeakPolarHBondContact CG2-OD1 3.3Å; N118-K325 WeakPolarHBondContact OD1-CE 3.41Å; N118-K325 PolarHBondContact OD1-NZ 2.93Å; N118-Y329 HydrophobicContact CB-CE1 4.1Å; N118-Y329 PolarHBondContact O-OH 3.21Å
119	L	97.3	Very high	93.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.3	179	-52.5	170.3	0	0	0	109.4	Y51 V85 I111 F121	Y51-L119 HydrophobicContact CE2-CD2 4.22Å; V85-L119 HydrophobicContact CB-CD1 4.37Å; V85-L119 HydrophobicContact CG1-CD1 4.02Å; V85-L119 HydrophobicContact CG2-CD1 3.79Å; I111-L119 HydrophobicContact CB-CB 4.2Å; I111-L119 PolarHBondContact N-O 3.28Å; I111-L119 PolarHBondContact O-N 3.31Å; L119-F121 HydrophobicContact CB-CE2 3.7Å; L119-F121 HydrophobicContact CB-CZ 4.09Å; L119-F121 HydrophobicContact CD1-CE2 4.4Å; L119-F121 HydrophobicContact CD1-CZ 4.45Å
120	R	97.1	Very high	93	Very high	108 Å²	108	45.9 Å²	45.9	41%	0.408	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.1	-177.3	-169.9	173.4	-178.7	158.5	7.7	110.1	Y51 I52 M96 L109	Y51-R120 WeakPolarHBondContact CD2-O 3.35Å; I52-R120 HydrophobicContact CB-CB 4.13Å; I52-R120 HydrophobicContact CB-CG 4.16Å; I52-R120 HydrophobicContact CD1-CG 3.9Å; I52-R120 HydrophobicContact CG1-CG 4.28Å; I52-R120 PolarHBondContact N-O 2.83Å; M96-R120 HydrophobicContact CE-CG 3.42Å; M96-R120 VanDerWaalsContact CE-CG 3.42Å; M96-R120 HydrophobicContact SD-CG 3.55Å; M96-R120 VanDerWaalsContact SD-CG 3.55Å; M96-R120 VanDerWaalsContact SD-CZ 3.5Å; M96-R120 PolarHBondContact SD-NE 3.04Å; L109-R120 WeakPolarHBondContact O-CA 3.41Å
121	F	96.9	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.1	179.7	-59.6	-76.7	0	0	0	109.6	V49 I50 Y51 V63 L70 L72 M96 G108 L109 I111 L119 L123	V49-F121 HydrophobicContact CB-CD1 4.42Å; V49-F121 HydrophobicContact CG2-CD1 3.84Å; V49-F121 HydrophobicContact CG2-CE1 4.47Å; I50-F121 CarbonylContact O-C 3.54Å; I50-F121 WeakPolarHBondContact O-CA 3.37Å; Y51-F121 HydrophobicContact CD2-CD1 4.03Å; Y51-F121 AromaticContact CD2-CE1 3.66Å; Y51-F121 HydrophobicContact CD2-CE1 3.66Å; Y51-F121 HydrophobicContact CD2-CZ 4.21Å; Y51-F121 HydrophobicContact CG-CE1 4.2Å; V63-F121 HydrophobicContact CG2-CD1 4.31Å; V63-F121 HydrophobicContact CG2-CE1 3.96Å; L70-F121 HydrophobicContact CD1-CE2 3.97Å; L70-F121 HydrophobicContact CD1-CZ 4.11Å; L70-F121 HydrophobicContact CD2-CZ 3.99Å; L72-F121 HydrophobicContact CD1-CD1 4.34Å; L72-F121 HydrophobicContact CD1-CE1 3.71Å; M96-F121 WeakPolarHBondContact CE-O 3.37Å; G108-F121 CarbonylContact C-O 3.58Å; G108-F121 WeakPolarHBondContact CA-O 3.19Å; L109-F121 PolarHBondContact N-O 2.98Å; L109-F121 PolarHBondContact O-N 2.81Å; I111-F121 HydrophobicContact CD1-CD2 4.04Å; I111-F121 HydrophobicContact CD1-CE2 3.83Å; L119-F121 HydrophobicContact CB-CE2 3.7Å; L119-F121 HydrophobicContact CB-CZ 4.09Å; L119-F121 HydrophobicContact CD1-CE2 4.4Å; L119-F121 HydrophobicContact CD1-CZ 4.45Å; F121-L123 HydrophobicContact CB-CD1 4.44Å
122	A	95.8	Very high	92.6	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.025	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	141.1	167.3	0	0	0	0	0	110.5	I50 I52 N105 Y107	I50-A122 HydrophobicContact CB-CB 4.11Å; I50-A122 PolarHBondContact N-O 3.43Å; I50-A122 PolarHBondContact O-N 3.28Å; I52-A122 HydrophobicContact CD1-CB 4.23Å; I52-A122 HydrophobicContact CG1-CB 4.49Å; N105-A122 HydrophobicContact CB-CB 3.71Å; Y107-A122 CarbonylContact O-C 3.5Å; Y107-A122 WeakPolarHBondContact O-CA 3.26Å
123	L	93.4	Very high	92.4	Very high	17 Å²	17	51.5 Å²	51.5	9%	0.089	25%	0.251	C	S	.	.			trans	-130.1	160	-177.6	-71.7	109.6	0	0	0	110.5	V49 Y107 L109 F121 R130 M133	V49-L123 HydrophobicContact CG1-CD2 4.13Å; V49-L123 HydrophobicContact CG1-CG 4.16Å; Y107-L123 HydrophobicContact CD1-CB 4.4Å; Y107-L123 WeakPolarHBondContact CD1-O 3.33Å; Y107-L123 PolarHBondContact O-N 2.76Å; L109-L123 HydrophobicContact CG-CD1 4.11Å; F121-L123 HydrophobicContact CB-CD1 4.44Å; L123-R130 HydrophobicContact CD1-CB 4.45Å; L123-M133 HydrophobicContact CD1-SD 4.08Å; L123-M133 HydrophobicContact CD2-CB 4.31Å; L123-M133 HydrophobicContact CD2-SD 3.79Å; L123-M133 HydrophobicContact CG-SD 4.42Å
124	K	87.3	Confident	92.4	Very high	149 Å²	149	53.7 Å²	53.7	65%	0.648	26%	0.26	S	S	*	.			trans	-69	138.1	173.1	-64.4	-178.1	-179.6	175.9	0	110.1	E126 S129	K124-E126 PolarHBondContact O-N 3.05Å; K124-S129 PolarHBondContact O-OG 2.61Å
125	Q	84.1	Confident	92.3	Very high	92 Å²	92	56.4 Å²	56.4	43%	0.43	27%	0.273	S	S	.	.	S	Bend	trans	-68.1	-28.4	177.5	-70.7	-176.1	5	0	0	112.7	S101 Y107	S101-Q125 PolarHBondContact O-NE2 2.97Å; Y107-Q125 HydrophobicContact CD1-CG 3.84Å; Y107-Q125 HydrophobicContact CD2-CG 3.8Å; Y107-Q125 HydrophobicContact CE1-CG 4.32Å; Y107-Q125 HydrophobicContact CE2-CG 4.26Å; Y107-Q125 HydrophobicContact CG-CG 3.55Å
126	E	81.3	Confident	92.3	Very high	161 Å²	161	58.2 Å²	58.2	75%	0.752	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-69.2	154.5	177.9	-63.1	169.4	-167.3	0	0	112.2	K124 H128	K124-E126 PolarHBondContact O-N 3.05Å; E126-H128 VanDerWaalsContact C-N 3.29Å; E126-H128 PolarHBondContact O-N 2.61Å
127	G	79.1	Confident	92.3	Very high	68 Å²	68	58 Å²	58	70%	0.701	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	65.8	23.1	169.4	0	0	0	0	0	115.7	S129	G127-S129 PolarHBondContact O-N 3.03Å
128	H	82.9	Confident	92.4	Very high	128 Å²	128	58.6 Å²	58.6	59%	0.593	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	54.3	19.3	178.5	-60.8	-57.6	0	0	0	115.7	E126 R130 R131 D132	E126-H128 VanDerWaalsContact C-N 3.29Å; E126-H128 PolarHBondContact O-N 2.61Å; H128-R130 VanDerWaalsContact C-N 3.31Å; H128-R130 PolarHBondContact O-N 2.9Å; H128-R130 VanDerWaalsContact O-N 3.08Å; H128-R131 HydrophobicContact CB-CB 4.42Å; H128-R131 WeakPolarHBondContact O-CA 3.17Å; H128-R131 WeakPolarHBondContact O-CB 3.27Å; H128-R131 PolarHBondContact O-N 3.29Å; H128-D132 PolarHBondContact O-N 2.85Å; H128-D132 VanDerWaalsContact O-N 3.17Å
129	S	87.4	Confident	92.4	Very high	21 Å²	21	62 Å²	62	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-52.7	-40.8	-169.4	69.2	0	0	0	0	114.7	K124 G127 M133	K124-S129 PolarHBondContact O-OG 2.61Å; G127-S129 PolarHBondContact O-N 3.03Å; S129-M133 WeakPolarHBondContact O-CB 3.36Å; S129-M133 PolarHBondContact O-N 2.86Å; S129-M133 VanDerWaalsContact O-N 3.08Å
130	R	93.5	Very high	92.5	Very high	35 Å²	35	64.4 Å²	64.4	13%	0.132	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-39.3	176	179.1	-171.4	68	164.4	3.7	112.5	K95 M96 G97 Y107 G108 L109 L123 H128 F134	K95-R130 HydrophobicContact CG-CG 4.48Å; M96-R130 PolarHBondContact O-NH1 3.03Å; G97-R130 PolarHBondContact O-NH1 3.3Å; Y107-R130 HydrophobicContact CD1-CB 4.17Å; Y107-R130 HydrophobicContact CE1-CB 3.31Å; Y107-R130 HydrophobicContact CE1-CG 4.15Å; Y107-R130 PolarHBondContact OH-NE 2.99Å; G108-R130 WeakPolarHBondContact O-CD 3.26Å; L109-R130 HydrophobicContact CD2-CG 3.75Å; L109-R130 HydrophobicContact CG-CG 4.33Å; L123-R130 HydrophobicContact CD1-CB 4.45Å; H128-R130 VanDerWaalsContact C-N 3.31Å; H128-R130 PolarHBondContact O-N 2.9Å; H128-R130 VanDerWaalsContact O-N 3.08Å; R130-F134 WeakPolarHBondContact O-CB 3.35Å; R130-F134 PolarHBondContact O-N 2.85Å
131	R	93.5	Very high	92.5	Very high	135 Å²	135	59.4 Å²	59.4	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-48.6	179.9	180	-179	178.8	178.1	-2.4	109.6	H128 F134 E135	H128-R131 HydrophobicContact CB-CB 4.42Å; H128-R131 WeakPolarHBondContact O-CA 3.17Å; H128-R131 WeakPolarHBondContact O-CB 3.27Å; H128-R131 PolarHBondContact O-N 3.29Å; R131-F134 WeakPolarHBondContact O-CB 3.25Å; R131-F134 PolarHBondContact O-N 2.7Å; R131-E135 HydrophobicContact CG-CG 4.45Å; R131-E135 VanDerWaalsContact CG-OE1 3.28Å; R131-E135 WeakPolarHBondContact CG-OE1 3.34Å; R131-E135 IonicContact CZ-OE1 3.23Å; R131-E135 IonicContact NE-OE1 2.72Å; R131-E135 PolarHBondContact NE-OE1 2.88Å; R131-E135 IonicContact NH2-OE1 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.44Å; R131-E135 PolarHBondContact O-N 3.04Å
132	D	93	Very high	92.6	Very high	59 Å²	59	59.8 Å²	59.8	32%	0.316	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-50.1	179.7	-60.7	-4.5	0	0	0	111.4	K47 H128 F134 E135 I136	K47-D132 IonicContact NZ-OD2 3.51Å; H128-D132 PolarHBondContact O-N 2.85Å; H128-D132 VanDerWaalsContact O-N 3.17Å; D132-F134 VanDerWaalsContact C-N 3.32Å; D132-F134 PolarHBondContact O-N 2.93Å; D132-E135 PolarHBondContact O-N 3.37Å; D132-I136 WeakPolarHBondContact O-CB 3.38Å; D132-I136 WeakPolarHBondContact O-CG1 3.34Å; D132-I136 PolarHBondContact O-N 3.48Å
133	M	94.8	Very high	92.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-40.6	179.3	-171.2	-179.6	-176.9	0	0	111.5	V49 V63 I65 L109 L123 S129 L137	V49-M133 HydrophobicContact CG1-CE 4.25Å; V49-M133 HydrophobicContact CG1-SD 4.02Å; V63-M133 HydrophobicContact CB-CE 4.22Å; V63-M133 HydrophobicContact CG1-CE 3.86Å; V63-M133 HydrophobicContact CG2-CE 4.42Å; I65-M133 HydrophobicContact CD1-CE 4.41Å; I65-M133 HydrophobicContact CD1-CG 4.06Å; L109-M133 HydrophobicContact CD1-CB 4.14Å; L109-M133 HydrophobicContact CD1-CE 4.47Å; L109-M133 HydrophobicContact CD1-CG 3.77Å; L109-M133 HydrophobicContact CD1-SD 3.85Å; L123-M133 HydrophobicContact CD1-SD 4.08Å; L123-M133 HydrophobicContact CD2-CB 4.31Å; L123-M133 HydrophobicContact CD2-SD 3.79Å; L123-M133 HydrophobicContact CG-SD 4.42Å; S129-M133 WeakPolarHBondContact O-CB 3.36Å; S129-M133 PolarHBondContact O-N 2.86Å; S129-M133 VanDerWaalsContact O-N 3.08Å; M133-L137 HydrophobicContact CE-CD1 3.9Å; M133-L137 HydrophobicContact CG-CD1 3.9Å; M133-L137 HydrophobicContact CG-CG 4.35Å; M133-L137 VanDerWaalsContact O-CB 3.3Å; M133-L137 WeakPolarHBondContact O-CB 3.44Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 3.22Å
134	F	97.1	Very high	92.8	Very high	48 Å²	48	64 Å²	64	21%	0.211	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-48.9	176.2	177.5	-93.2	0	0	0	112.2	I93 K95 L109 R130 R131 D132 T138	I93-F134 HydrophobicContact CB-CD2 4.43Å; I93-F134 HydrophobicContact CB-CE2 4.18Å; I93-F134 HydrophobicContact CG2-CD2 3.61Å; I93-F134 HydrophobicContact CG2-CE2 3.82Å; K95-F134 HydrophobicContact CD-CD2 4.42Å; K95-F134 HydrophobicContact CD-CG 4.38Å; K95-F134 HydrophobicContact CG-CD2 3.78Å; K95-F134 HydrophobicContact CG-CE2 4.14Å; K95-F134 HydrophobicContact CG-CG 4.16Å; L109-F134 HydrophobicContact CD2-CB 3.96Å; L109-F134 HydrophobicContact CD2-CD2 3.97Å; L109-F134 HydrophobicContact CD2-CG 4.46Å; R130-F134 WeakPolarHBondContact O-CB 3.35Å; R130-F134 PolarHBondContact O-N 2.85Å; R131-F134 WeakPolarHBondContact O-CB 3.25Å; R131-F134 PolarHBondContact O-N 2.7Å; D132-F134 VanDerWaalsContact C-N 3.32Å; D132-F134 PolarHBondContact O-N 2.93Å; F134-T138 VanDerWaalsContact O-CB 3.24Å; F134-T138 WeakPolarHBondContact O-CB 3.46Å; F134-T138 PolarHBondContact O-N 3.24Å; F134-T138 PolarHBondContact O-OG1 3.46Å
135	E	96.7	Very high	93.2	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-42.9	-177.7	-73.2	176.2	-170.7	0	0	111	R131 D132 R139	R131-E135 HydrophobicContact CG-CG 4.45Å; R131-E135 VanDerWaalsContact CG-OE1 3.28Å; R131-E135 WeakPolarHBondContact CG-OE1 3.34Å; R131-E135 IonicContact CZ-OE1 3.23Å; R131-E135 IonicContact NE-OE1 2.72Å; R131-E135 PolarHBondContact NE-OE1 2.88Å; R131-E135 IonicContact NH2-OE1 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.44Å; R131-E135 PolarHBondContact O-N 3.04Å; D132-E135 PolarHBondContact O-N 3.37Å; E135-R139 WeakPolarHBondContact O-CB 3.3Å; E135-R139 PolarHBondContact O-N 3.02Å
136	I	96.8	Very high	93.8	Very high	40 Å²	40	58 Å²	58	21%	0.205	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-51.6	176.8	-68	170.3	0	0	0	110.9	I44 T45 I65 D132 T138 R139 Y140	I44-I136 HydrophobicContact CG2-CG2 3.72Å; T45-I136 HydrophobicContact CG2-CD1 3.69Å; T45-I136 HydrophobicContact CG2-CG2 3.96Å; I65-I136 HydrophobicContact CD1-CG2 4.3Å; I65-I136 HydrophobicContact CG2-CG2 4.1Å; D132-I136 WeakPolarHBondContact O-CB 3.38Å; D132-I136 WeakPolarHBondContact O-CG1 3.34Å; D132-I136 PolarHBondContact O-N 3.48Å; I136-T138 VanDerWaalsContact C-N 3.33Å; I136-T138 PolarHBondContact O-N 3.14Å; I136-R139 PolarHBondContact O-N 2.7Å; I136-Y140 HydrophobicContact CG2-CD2 4.06Å; I136-Y140 HydrophobicContact CG2-CE2 4.35Å; I136-Y140 WeakPolarHBondContact O-CD2 3.44Å; I136-Y140 PolarHBondContact O-N 2.83Å; I136-Y140 VanDerWaalsContact O-N 3.12Å
137	L	97	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-43	179.6	-76.7	174	0	0	0	111.9	I65 L70 L87 I93 L109 I111 M133 R139 Y140 A141	I65-L137 HydrophobicContact CB-CD2 4.49Å; I65-L137 HydrophobicContact CD1-CD1 4.32Å; I65-L137 HydrophobicContact CD1-CD2 3.54Å; I65-L137 HydrophobicContact CD1-CG 3.61Å; I65-L137 HydrophobicContact CG1-CD2 3.78Å; I65-L137 HydrophobicContact CG1-CG 4.4Å; I65-L137 HydrophobicContact CG2-CD2 3.89Å; L70-L137 HydrophobicContact CD1-CD1 4.32Å; L70-L137 HydrophobicContact CD1-CD2 4.03Å; L87-L137 HydrophobicContact CD2-CD2 3.98Å; I93-L137 HydrophobicContact CD1-CB 3.69Å; L109-L137 HydrophobicContact CD1-CD1 3.89Å; I111-L137 HydrophobicContact CD1-CD1 3.83Å; M133-L137 HydrophobicContact CE-CD1 3.9Å; M133-L137 HydrophobicContact CG-CD1 3.9Å; M133-L137 HydrophobicContact CG-CG 4.35Å; M133-L137 VanDerWaalsContact O-CB 3.3Å; M133-L137 WeakPolarHBondContact O-CB 3.44Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 3.22Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 2.75Å; L137-Y140 PolarHBondContact O-N 2.85Å; L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.9Å
138	T	97.8	Very high	95.4	Very high	23 Å²	23	54.6 Å²	54.6	14%	0.141	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-43.6	177.7	-58.6	0	0	0	0	110.8	F134 I136 Y140 F142	F134-T138 VanDerWaalsContact O-CB 3.24Å; F134-T138 WeakPolarHBondContact O-CB 3.46Å; F134-T138 PolarHBondContact O-N 3.24Å; F134-T138 PolarHBondContact O-OG1 3.46Å; I136-T138 VanDerWaalsContact C-N 3.33Å; I136-T138 PolarHBondContact O-N 3.14Å; T138-Y140 PolarHBondContact O-N 2.99Å; T138-F142 HydrophobicContact CG2-CD2 3.82Å; T138-F142 HydrophobicContact CG2-CE2 4.23Å; T138-F142 WeakPolarHBondContact O-CB 3.33Å; T138-F142 WeakPolarHBondContact O-CD2 3.38Å; T138-F142 PolarHBondContact O-N 3.01Å; T138-F142 VanDerWaalsContact O-N 3.14Å
139	R	98	Very high	96.1	Very high	124 Å²	124	51.7 Å²	51.7	47%	0.468	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-44.9	179.6	-177.8	174.7	-177	175.7	-0.9	112.9	E135 I136 L137 H146 L148	E135-R139 WeakPolarHBondContact O-CB 3.3Å; E135-R139 PolarHBondContact O-N 3.02Å; I136-R139 PolarHBondContact O-N 2.7Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 2.75Å; R139-H146 HydrophobicContact CG-CB 4.28Å; R139-L148 HydrophobicContact CG-CD1 3.73Å
140	Y	98.1	Very high	96.6	Very high	53 Å²	53	51.3 Å²	51.3	21%	0.208	26%	0.26	C	S	.	.	H	α-helix	trans	-93.4	-20.2	-173.9	-70	-81.7	0	0	0	114.5	I44 N67 I136 L137 T138 P143 L148	I44-Y140 HydrophobicContact CB-CE2 4.26Å; I44-Y140 HydrophobicContact CD1-CE1 3.79Å; I44-Y140 HydrophobicContact CD1-CE2 4.14Å; I44-Y140 WeakPolarHBondContact CD1-OH 3.42Å; I44-Y140 HydrophobicContact CG1-CD1 4.37Å; I44-Y140 HydrophobicContact CG1-CD2 4.18Å; I44-Y140 HydrophobicContact CG1-CE1 4.03Å; I44-Y140 HydrophobicContact CG1-CE2 3.85Å; I44-Y140 HydrophobicContact CG1-CG 4.44Å; I44-Y140 HydrophobicContact CG2-CD2 4.12Å; I44-Y140 HydrophobicContact CG2-CE2 3.48Å; I44-Y140 VanDerWaalsContact CG2-CE2 3.48Å; N67-Y140 HydrophobicContact CB-CD1 4.1Å; N67-Y140 HydrophobicContact CB-CE1 4.24Å; I136-Y140 HydrophobicContact CG2-CD2 4.06Å; I136-Y140 HydrophobicContact CG2-CE2 4.35Å; I136-Y140 WeakPolarHBondContact O-CD2 3.44Å; I136-Y140 PolarHBondContact O-N 2.83Å; I136-Y140 VanDerWaalsContact O-N 3.12Å; L137-Y140 PolarHBondContact O-N 2.85Å; T138-Y140 PolarHBondContact O-N 2.99Å; Y140-P143 WeakPolarHBondContact O-CD 3.34Å; Y140-L148 HydrophobicContact CD1-CD1 4.23Å; Y140-L148 HydrophobicContact CE1-CD1 4.11Å
141	A	98.1	Very high	96.9	Very high	2 Å²	2	50 Å²	50	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-78.5	-27.1	169.9	0	0	0	0	0	113	L87 I90 I93 L137 P143	L87-A141 HydrophobicContact CB-CB 4.17Å; I90-A141 HydrophobicContact CB-CB 4.08Å; I90-A141 HydrophobicContact CD1-CB 4.08Å; I90-A141 HydrophobicContact CG2-CB 4.25Å; I93-A141 HydrophobicContact CD1-CB 4.4Å; L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.9Å; A141-P143 VanDerWaalsContact O-CD 3.31Å; A141-P143 WeakPolarHBondContact O-CD 3.48Å
142	F	98.3	Very high	97.1	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.035	23%	0.231	C	C	.	.	S	Bend	trans	-120.7	57.5	178.5	-45.8	-61.3	0	0	0	111.8	I90 I93 T138 L144 A145 H146 G425 D426 K427	I90-F142 HydrophobicContact CG2-CZ 4.06Å; I93-F142 HydrophobicContact CD1-CE2 3.96Å; I93-F142 HydrophobicContact CD1-CZ 4.44Å; I93-F142 HydrophobicContact CG1-CE2 4.27Å; I93-F142 HydrophobicContact CG1-CZ 4.41Å; T138-F142 HydrophobicContact CG2-CD2 3.82Å; T138-F142 HydrophobicContact CG2-CE2 4.23Å; T138-F142 WeakPolarHBondContact O-CB 3.33Å; T138-F142 WeakPolarHBondContact O-CD2 3.38Å; T138-F142 PolarHBondContact O-N 3.01Å; T138-F142 VanDerWaalsContact O-N 3.14Å; F142-L144 VanDerWaalsContact C-N 3.29Å; F142-L144 PolarHBondContact O-N 3.06Å; F142-A145 HydrophobicContact CB-CB 4.13Å; F142-A145 WeakPolarHBondContact O-CB 3.33Å; F142-A145 PolarHBondContact O-N 2.92Å; F142-A145 VanDerWaalsContact O-N 3.09Å; F142-H146 PolarHBondContact O-CD2 3.09Å; F142-H146 PolarHBondContact O-N 3.48Å; F142-G425 CarbonylContact C-O 3.59Å; F142-G425 VanDerWaalsContact CA-O 3.24Å; F142-G425 WeakPolarHBondContact CA-O 3.22Å; F142-D426 WeakPolarHBondContact CD1-O 3.33Å; F142-K427 HydrophobicContact CB-CB 3.99Å; F142-K427 HydrophobicContact CD1-CB 4.23Å; F142-K427 HydrophobicContact CD2-CB 3.84Å; F142-K427 HydrophobicContact CE2-CB 4.4Å; F142-K427 HydrophobicContact CG-CB 3.74Å
143	P	98	Very high	97.4	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.084	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.3	-37.5	-171.1	23.6	-36.4	0	0	0	113.2	Y140 A141 A145 H146 S147 L148 L150	Y140-P143 WeakPolarHBondContact O-CD 3.34Å; A141-P143 VanDerWaalsContact O-CD 3.31Å; A141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-A145 VanDerWaalsContact C-N 3.34Å; P143-A145 PolarHBondContact O-N 2.82Å; P143-H146 CarbonylContact O-C 3.57Å; P143-H146 VanDerWaalsContact O-C 3.27Å; P143-H146 WeakPolarHBondContact O-CA 3.47Å; P143-H146 PolarHBondContact O-N 3.29Å; P143-S147 PolarHBondContact O-N 2.91Å; P143-L148 CarbonylContact C-O 3.57Å; P143-L148 HydrophobicContact CB-CB 3.63Å; P143-L148 PolarHBondContact O-N 3.23Å; P143-L150 HydrophobicContact CG-CD2 3.7Å
144	L	96.9	Very high	97.6	Very high	95 Å²	95	45.8 Å²	45.8	50%	0.497	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-66.2	-36.5	179.8	-58.6	-172.6	0	0	0	112.1	F142 H146 S147 L150 H424 G425	F142-L144 VanDerWaalsContact C-N 3.29Å; F142-L144 PolarHBondContact O-N 3.06Å; L144-H146 PolarHBondContact O-N 2.99Å; L144-H146 VanDerWaalsContact O-N 3.16Å; L144-S147 PolarHBondContact O-N 2.89Å; L144-L150 HydrophobicContact CD1-CD1 4.43Å; L144-L150 HydrophobicContact CD2-CD1 4.44Å; L144-L150 HydrophobicContact CD2-CG 4.07Å; L144-L150 HydrophobicContact CG-CD2 4.36Å; L144-L150 HydrophobicContact CG-CG 4.31Å; L144-H424 VanDerWaalsContact CD1-O 3.24Å; L144-H424 WeakPolarHBondContact CD1-O 3.48Å; L144-G425 WeakPolarHBondContact CB-O 3.32Å; L144-G425 PolarHBondContact N-O 3.29Å; L144-G425 VanDerWaalsContact N-O 3.11Å
145	A	94.6	Very high	97.6	Very high	40 Å²	40	44.1 Å²	44.1	33%	0.331	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.6	-12.7	174	0	0	0	0	0	113.2	F142 P143 G425 K427	F142-A145 HydrophobicContact CB-CB 4.13Å; F142-A145 WeakPolarHBondContact O-CB 3.33Å; F142-A145 PolarHBondContact O-N 2.92Å; F142-A145 VanDerWaalsContact O-N 3.09Å; P143-A145 VanDerWaalsContact C-N 3.34Å; P143-A145 PolarHBondContact O-N 2.82Å; A145-G425 PolarHBondContact N-O 3.27Å; A145-K427 HydrophobicContact CB-CB 4.28Å; A145-K427 HydrophobicContact CB-CD 3.99Å; A145-K427 HydrophobicContact CB-CG 3.92Å
146	H	96.6	Very high	97.7	Very high	76 Å²	76	46.1 Å²	46.1	35%	0.352	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-120.3	16.9	-179.4	-71.3	-87.3	0	0	0	113	R139 F142 P143 L144 L148	R139-H146 HydrophobicContact CG-CB 4.28Å; F142-H146 PolarHBondContact O-CD2 3.09Å; F142-H146 PolarHBondContact O-N 3.48Å; P143-H146 CarbonylContact O-C 3.57Å; P143-H146 VanDerWaalsContact O-C 3.27Å; P143-H146 WeakPolarHBondContact O-CA 3.47Å; P143-H146 PolarHBondContact O-N 3.29Å; L144-H146 PolarHBondContact O-N 2.99Å; L144-H146 VanDerWaalsContact O-N 3.16Å; H146-L148 HydrophobicContact CB-CG 4.45Å; H146-L148 PolarHBondContact O-N 3.32Å
147	S	96.6	Very high	97.7	Very high	118 Å²	118	45.4 Å²	45.4	83%	0.825	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.1	-179.1	-54	0	0	0	0	114.2	P143 L144	P143-S147 PolarHBondContact O-N 2.91Å; L144-S147 PolarHBondContact O-N 2.89Å
148	L	97.8	Very high	97.6	Very high	40 Å²	40	54.4 Å²	54.4	21%	0.209	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-100.3	150.7	172.6	-64	179.3	0	0	0	110.3	R139 Y140 P143 H146	R139-L148 HydrophobicContact CG-CD1 3.73Å; Y140-L148 HydrophobicContact CD1-CD1 4.23Å; Y140-L148 HydrophobicContact CE1-CD1 4.11Å; P143-L148 CarbonylContact C-O 3.57Å; P143-L148 HydrophobicContact CB-CB 3.63Å; P143-L148 PolarHBondContact O-N 3.23Å; H146-L148 HydrophobicContact CB-CG 4.45Å; H146-L148 PolarHBondContact O-N 3.32Å
149	P	97.6	Very high	97.6	Very high	67 Å²	67	55.8 Å²	55.8	44%	0.435	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.7	150.3	172.7	29.6	-34.2	0	0	0	111.1	F153 L154	P149-F153 HydrophobicContact CB-CB 4.4Å; P149-L154 HydrophobicContact CB-CD2 4.48Å; P149-L154 HydrophobicContact CG-CD1 4.08Å; P149-L154 HydrophobicContact CG-CD2 3.84Å; P149-L154 HydrophobicContact CG-CG 4.05Å
150	L	98.6	Very high	97.5	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.063	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-66.8	148	164.9	-67.9	166.1	0	0	0	109.6	P143 L144 A152 F153 H424 C473 L479	P143-L150 HydrophobicContact CG-CD2 3.7Å; L144-L150 HydrophobicContact CD1-CD1 4.43Å; L144-L150 HydrophobicContact CD2-CD1 4.44Å; L144-L150 HydrophobicContact CD2-CG 4.07Å; L144-L150 HydrophobicContact CG-CD2 4.36Å; L144-L150 HydrophobicContact CG-CG 4.31Å; L150-A152 PolarHBondContact O-N 3.26Å; L150-A152 VanDerWaalsContact O-N 3.08Å; L150-F153 HydrophobicContact CB-CD2 4.3Å; L150-F153 PolarHBondContact O-N 3.01Å; L150-H424 HydrophobicContact CD1-CB 4.38Å; L150-H424 HydrophobicContact CD2-CB 4.45Å; L150-C473 HydrophobicContact CD2-CB 4.19Å; L150-L479 HydrophobicContact CD1-CD1 3.94Å; L150-L479 HydrophobicContact CD1-CD2 3.81Å; L150-L479 HydrophobicContact CD1-CG 4.48Å
151	F	98.7	Very high	97.4	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.039	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-56.5	-29.4	-177.9	-176	-107.5	0	0	0	113.5	L38 E41 Y68 F153 L154 N155 R474	L38-F151 HydrophobicContact CB-CZ 4.29Å; L38-F151 HydrophobicContact CD1-CE1 4.02Å; L38-F151 HydrophobicContact CD1-CZ 4.4Å; E41-F151 HydrophobicContact CB-CE2 4.03Å; E41-F151 HydrophobicContact CB-CZ 4.02Å; Y68-F151 HydrophobicContact CD1-CD1 4.43Å; Y68-F151 HydrophobicContact CD1-CE1 4.23Å; Y68-F151 HydrophobicContact CD2-CB 3.9Å; Y68-F151 AromaticContact CD2-CD1 3.19Å; Y68-F151 HydrophobicContact CD2-CD1 3.19Å; Y68-F151 HydrophobicContact CD2-CD2 4.44Å; Y68-F151 AromaticContact CD2-CE1 3.81Å; Y68-F151 HydrophobicContact CD2-CE1 3.81Å; Y68-F151 AromaticContact CD2-CG 3.58Å; Y68-F151 HydrophobicContact CD2-CG 3.58Å; Y68-F151 AromaticContact CE2-CD1 3.84Å; Y68-F151 HydrophobicContact CE2-CD1 3.84Å; Y68-F151 HydrophobicContact CE2-CE1 4.37Å; Y68-F151 AromaticContact CG-CD1 3.55Å; Y68-F151 HydrophobicContact CG-CD1 3.55Å; Y68-F151 HydrophobicContact CG-CD2 4.32Å; Y68-F151 AromaticContact CG-CE1 3.73Å; Y68-F151 HydrophobicContact CG-CE1 3.73Å; Y68-F151 HydrophobicContact CG-CE2 4.47Å; Y68-F151 AromaticContact CG-CG 3.88Å; Y68-F151 HydrophobicContact CG-CG 3.88Å; Y68-F151 HydrophobicContact CG-CZ 4.2Å; F151-F153 PolarHBondContact O-N 3.37Å; F151-L154 HydrophobicContact CD2-CB 4.13Å; F151-L154 HydrophobicContact CE2-CB 4.42Å; F151-L154 CarbonylContact O-C 3.57Å; F151-L154 WeakPolarHBondContact O-CA 3.47Å; F151-L154 PolarHBondContact O-N 3.27Å; F151-N155 HydrophobicContact CD1-CB 4.38Å; F151-N155 HydrophobicContact CE1-CB 4.03Å; F151-N155 HydrophobicContact CZ-CB 4.42Å; F151-N155 PolarHBondContact O-N 2.9Å; F151-R474 HydrophobicContact CD1-CG 4.46Å; F151-R474 HydrophobicContact CE1-CG 4.36Å
152	A	98.8	Very high	97.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-52.9	-29.9	174.3	0	0	0	0	0	114.5	L150 C473 L479 T495	L150-A152 PolarHBondContact O-N 3.26Å; L150-A152 VanDerWaalsContact O-N 3.08Å; A152-C473 WeakPolarHBondContact CB-O 3.27Å; A152-C473 PolarHBondContact N-O 2.93Å; A152-L479 HydrophobicContact CB-CD1 3.79Å; A152-T495 HydrophobicContact CB-CG2 4.16Å; A152-T495 WeakPolarHBondContact O-CB 3.39Å; A152-T495 WeakPolarHBondContact O-CG2 3.26Å
153	F	98.6	Very high	97.4	Very high	42 Å²	42	60 Å²	60	18%	0.184	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-88.3	-8	176.6	-68.2	-83	0	0	0	113.7	P149 L150 F151 L479 F480 R494 T495	P149-F153 HydrophobicContact CB-CB 4.4Å; L150-F153 HydrophobicContact CB-CD2 4.3Å; L150-F153 PolarHBondContact O-N 3.01Å; F151-F153 PolarHBondContact O-N 3.37Å; F153-L479 HydrophobicContact CE2-CD1 3.95Å; F153-F480 HydrophobicContact CE2-CE2 4.31Å; F153-F480 HydrophobicContact CE2-CZ 4.22Å; F153-F480 AromaticContact CZ-CE2 3.89Å; F153-F480 HydrophobicContact CZ-CE2 3.89Å; F153-F480 AromaticContact CZ-CZ 3.88Å; F153-F480 HydrophobicContact CZ-CZ 3.88Å; F153-R494 HydrophobicContact CD1-CB 3.93Å; F153-R494 HydrophobicContact CE1-CB 4.05Å; F153-T495 HydrophobicContact CD1-CG2 3.53Å; F153-T495 HydrophobicContact CD2-CG2 4.23Å; F153-T495 HydrophobicContact CE1-CG2 3.56Å; F153-T495 HydrophobicContact CE2-CG2 4.24Å; F153-T495 HydrophobicContact CG-CG2 3.89Å; F153-T495 HydrophobicContact CZ-CG2 3.93Å
154	L	98.4	Very high	97.4	Very high	62 Å²	62	61 Å²	61	33%	0.325	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-11.6	174.6	-56.7	-177.6	0	0	0	111.7	G40 N67 P149 F151 E156	G40-L154 WeakPolarHBondContact CA-O 3.35Å; N67-L154 WeakPolarHBondContact ND2-CD1 3.26Å; P149-L154 HydrophobicContact CB-CD2 4.48Å; P149-L154 HydrophobicContact CG-CD1 4.08Å; P149-L154 HydrophobicContact CG-CD2 3.84Å; P149-L154 HydrophobicContact CG-CG 4.05Å; F151-L154 HydrophobicContact CD2-CB 4.13Å; F151-L154 HydrophobicContact CE2-CB 4.42Å; F151-L154 CarbonylContact O-C 3.57Å; F151-L154 WeakPolarHBondContact O-CA 3.47Å; F151-L154 PolarHBondContact O-N 3.27Å; L154-E156 PolarHBondContact O-N 2.89Å
155	N	98.1	Very high	97.4	Very high	14 Å²	14	61.4 Å²	61.4	8%	0.075	33%	0.328	C	S	.	.			trans	-70.6	118.5	-177.2	-174.2	-1.5	0	0	0	110.4	F151 E157 R474	F151-N155 HydrophobicContact CD1-CB 4.38Å; F151-N155 HydrophobicContact CE1-CB 4.03Å; F151-N155 HydrophobicContact CZ-CB 4.42Å; F151-N155 PolarHBondContact O-N 2.9Å; N155-E157 PolarHBondContact ND2-OE2 3.01Å; N155-E157 VanDerWaalsContact OD1-CB 3.23Å; N155-E157 WeakPolarHBondContact OD1-CB 3.43Å; N155-E157 WeakPolarHBondContact OD1-CG 3.46Å; N155-E157 PolarHBondContact OD1-N 3.06Å; N155-E157 PolarHBondContact OD1-OE2 2.97Å; N155-R474 PolarHBondContact ND2-O 3.26Å
156	E	97.5	Very high	97.6	Very high	131 Å²	131	60.2 Å²	60.2	61%	0.612	32%	0.317	S	S	*	.			trans	-104.5	7.7	-178.2	-66.7	178.5	172	0	0	113.2	P39 L154	P39-E156 HydrophobicContact CB-CB 3.82Å; P39-E156 PolarHBondContact O-N 2.73Å; L154-E156 PolarHBondContact O-N 2.89Å
157	E	96.8	Very high	97.7	Very high	24 Å²	24	58 Å²	58	11%	0.112	31%	0.306	C	S	.	.			trans	-55.9	143.2	179.3	-73.1	-178.7	97.8	0	0	112.7	L38 P39 N155 F159 R474	L38-E157 HydrophobicContact CB-CG 4.48Å; P39-E157 HydrophobicContact CB-CG 4.23Å; P39-E157 HydrophobicContact CG-CG 3.93Å; N155-E157 PolarHBondContact ND2-OE2 3.01Å; N155-E157 VanDerWaalsContact OD1-CB 3.23Å; N155-E157 WeakPolarHBondContact OD1-CB 3.43Å; N155-E157 WeakPolarHBondContact OD1-CG 3.46Å; N155-E157 PolarHBondContact OD1-N 3.06Å; N155-E157 PolarHBondContact OD1-OE2 2.97Å; E157-F159 HydrophobicContact CB-CE2 3.71Å; E157-F159 HydrophobicContact CB-CZ 4.19Å; E157-R474 IonicContact OE1-CZ 3.01Å; E157-R474 IonicContact OE1-NE 2.78Å; E157-R474 IonicContact OE1-NH2 2.62Å; E157-R474 PolarHBondContact OE1-NH2 3.37Å; E157-R474 IonicContact OE2-CZ 2.68Å; E157-R474 VanDerWaalsContact OE2-CZ 3.26Å; E157-R474 IonicContact OE2-NE 3.74Å; E157-R474 PolarHBondContact OE2-NE 3.35Å; E157-R474 IonicContact OE2-NH2 3.43Å; E157-R474 PolarHBondContact OE2-NH2 3.04Å
158	K	95.9	Very high	97.8	Very high	189 Å²	189	56 Å²	56	82%	0.822	29%	0.286	S	S	*	.			trans	-116.5	135.4	178.2	-57.9	-59.7	177.5	-171.8	0	109.8
159	F	97	Very high	97.8	Very high	52 Å²	52	55.5 Å²	55.5	23%	0.228	29%	0.285	C	S	.	.			trans	-124.1	153.3	179.8	-67.7	-79.3	0	0	0	108.7	E157 V161 F475 V496 L501 S504	E157-F159 HydrophobicContact CB-CE2 3.71Å; E157-F159 HydrophobicContact CB-CZ 4.19Å; F159-V161 VanDerWaalsContact C-N 3.26Å; F159-F475 HydrophobicContact CE2-CE1 4.09Å; F159-F475 HydrophobicContact CZ-CE1 4.27Å; F159-F475 HydrophobicContact CZ-CZ 4.45Å; F159-V496 HydrophobicContact CD2-CG1 3.59Å; F159-V496 HydrophobicContact CE2-CG1 3.66Å; F159-L501 HydrophobicContact CE1-CB 3.89Å; F159-L501 HydrophobicContact CE1-CD1 3.59Å; F159-L501 HydrophobicContact CE1-CG 4.37Å; F159-L501 HydrophobicContact CZ-CB 4.02Å; F159-L501 HydrophobicContact CZ-CD1 4.02Å; F159-S504 WeakPolarHBondContact CB-OG 3.44Å; F159-S504 WeakPolarHBondContact CD1-OG 3.21Å
160	N	95.7	Very high	97.8	Very high	134 Å²	134	54.7 Å²	54.7	72%	0.717	28%	0.278	S	S	*	.	S	Bend	trans	-77	-15.2	178.5	57.4	-5.3	0	0	0	112.5	S504	N160-S504 VanDerWaalsContact OD1-CA 3.31Å; N160-S504 WeakPolarHBondContact OD1-CA 3.39Å; N160-S504 WeakPolarHBondContact OD1-CB 3.4Å; N160-S504 PolarHBondContact OD1-OG 3.49Å
161	V	96.9	Very high	97.8	Very high	54 Å²	54	59 Å²	59	33%	0.327	30%	0.298	S	S	.	.	S	Bend	trans	-118	131.9	175.2	-178.3	0	0	0	0	110	F159 G163 S500 N503	F159-V161 VanDerWaalsContact C-N 3.26Å; V161-G163 PolarHBondContact O-N 3.02Å; V161-S500 WeakPolarHBondContact O-CA 3.42Å; V161-S500 WeakPolarHBondContact O-CB 3.38Å; V161-S500 PolarHBondContact O-OG 3.07Å; V161-N503 HydrophobicContact CB-CB 4.28Å; V161-N503 HydrophobicContact CG1-CB 3.99Å; V161-N503 HydrophobicContact CG2-CB 4.4Å
162	D	97.9	Very high	97.8	Very high	86 Å²	86	59 Å²	59	46%	0.46	30%	0.298	S	S	.	.			trans	-83.4	106	167.1	-176.2	4.6	0	0	0	110	W164 T165	D162-W164 PolarHBondContact O-N 3.11Å; D162-W164 WeakPolarHBondContact OD1-CB 3.41Å; D162-W164 PolarHBondContact OD1-N 3.43Å; D162-T165 HydrophobicContact CB-CG2 4.21Å; D162-T165 PolarHBondContact O-N 3.41Å; D162-T165 PolarHBondContact O-OG1 2.82Å
163	G	98.2	Very high	97.8	Very high	1 Å²	1	59 Å²	59	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-73	-9.2	-179.3	0	0	0	0	0	113.7	V161 T165 V166 S497 S500	V161-G163 PolarHBondContact O-N 3.02Å; G163-T165 VanDerWaalsContact C-N 3.25Å; G163-V166 WeakPolarHBondContact O-CG1 3.41Å; G163-S497 VanDerWaalsContact C-CB 3.48Å; G163-S497 PolarHBondContact O-OG 2.95Å; G163-S500 PolarHBondContact N-OG 2.99Å
164	W	98.4	Very high	97.8	Very high	35 Å²	35	63.3 Å²	63.3	13%	0.133	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-73.5	-20.5	172.9	-68	120.7	0	0	0	112.5	D162 V166 V491 T492 T495	D162-W164 PolarHBondContact O-N 3.11Å; D162-W164 WeakPolarHBondContact OD1-CB 3.41Å; D162-W164 PolarHBondContact OD1-N 3.43Å; W164-V166 VanDerWaalsContact C-N 3.31Å; W164-V166 PolarHBondContact O-N 3.37Å; W164-V491 HydrophobicContact CH2-CG1 3.76Å; W164-V491 HydrophobicContact CZ2-CG1 3.88Å; W164-T492 HydrophobicContact CB-CG2 4.37Å; W164-T492 VanDerWaalsContact CD1-O 3.3Å; W164-T492 HydrophobicContact CD2-CG2 3.8Å; W164-T492 HydrophobicContact CE3-CG2 3.75Å; W164-T492 HydrophobicContact CG-CG2 4.08Å; W164-T492 HydrophobicContact CZ3-CG2 4.3Å; W164-T492 PolarHBondContact NE1-O 3.34Å; W164-T495 WeakPolarHBondContact CZ2-OG1 3.4Å; W164-T495 PolarHBondContact NE1-O 2.83Å
165	T	97.9	Very high	97.8	Very high	103 Å²	103	64.6 Å²	64.6	63%	0.632	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-83.9	-4.1	179.4	69.8	0	0	0	0	113.7	D162 G163 Y167	D162-T165 HydrophobicContact CB-CG2 4.21Å; D162-T165 PolarHBondContact O-N 3.41Å; D162-T165 PolarHBondContact O-OG1 2.82Å; G163-T165 VanDerWaalsContact C-N 3.25Å; T165-Y167 PolarHBondContact O-N 3.49Å
166	V	97.8	Very high	97.8	Very high	15 Å²	15	64.8 Å²	64.8	9%	0.091	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.3	-30.8	-176.5	75	0	0	0	0	112.9	G163 W164 E401 E404 I405 Q408 W499	G163-V166 WeakPolarHBondContact O-CG1 3.41Å; W164-V166 VanDerWaalsContact C-N 3.31Å; W164-V166 PolarHBondContact O-N 3.37Å; V166-E401 HydrophobicContact CG2-CG 3.95Å; V166-E404 HydrophobicContact CG1-CB 4.49Å; V166-E404 HydrophobicContact CG2-CB 3.98Å; V166-E404 WeakPolarHBondContact CG2-OE2 3.45Å; V166-I405 HydrophobicContact CG2-CG1 4.3Å; V166-I405 WeakPolarHBondContact O-CD1 3.35Å; V166-I405 WeakPolarHBondContact O-CG1 3.42Å; V166-Q408 HydrophobicContact CG1-CG 4.05Å; V166-W499 HydrophobicContact CG1-CG 4.15Å
167	Y	98.5	Very high	97.8	Very high	30 Å²	30	60.8 Å²	60.8	12%	0.118	31%	0.308	C	S	.	.			trans	-119.5	116.3	-176.6	174.8	-124	0	0	0	111	T165 P169 E172 I405 Q408 K409	T165-Y167 PolarHBondContact O-N 3.49Å; Y167-P169 HydrophobicContact CD1-CG 4.47Å; Y167-P169 HydrophobicContact CE1-CB 4.49Å; Y167-P169 HydrophobicContact CE1-CG 3.75Å; Y167-P169 HydrophobicContact CE2-CB 4.48Å; Y167-P169 HydrophobicContact CE2-CG 4.43Å; Y167-E172 HydrophobicContact CD2-CB 4.49Å; Y167-E172 HydrophobicContact CE2-CB 4.03Å; Y167-E172 HydrophobicContact CE2-CG 4.29Å; Y167-I405 HydrophobicContact CD2-CG2 3.92Å; Y167-I405 HydrophobicContact CE2-CG2 4.39Å; Y167-Q408 HydrophobicContact CD1-CB 3.7Å; Y167-Q408 HydrophobicContact CG-CB 3.69Å; Y167-K409 HydrophobicContact CE1-CB 4.49Å; Y167-K409 HydrophobicContact CE2-CB 3.89Å; Y167-K409 HydrophobicContact CE2-CD 4.37Å; Y167-K409 HydrophobicContact CE2-CG 4.29Å
168	N	98.4	Very high	97.9	Very high	76 Å²	76	60 Å²	60	41%	0.406	30%	0.304	S	S	.	.			trans	-117.4	115.5	165.4	-178.1	-40	0	0	0	108.3	V170 E171 E172	N168-V170 PolarHBondContact O-N 2.66Å; N168-V170 WeakPolarHBondContact OD1-CB 3.3Å; N168-V170 PolarHBondContact OD1-N 3Å; N168-E171 HydrophobicContact CB-CB 4.04Å; N168-E171 HydrophobicContact CB-CG 3.84Å; N168-E171 PolarHBondContact O-N 2.86Å; N168-E171 PolarHBondContact OD1-N 3.07Å; N168-E172 PolarHBondContact O-N 3.08Å
169	P	98	Very high	98	Very high	30 Å²	30	54.8 Å²	54.8	20%	0.195	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-36.9	-177.5	-22.9	29.2	0	0	0	113.4	Y167 E172 Y173 L201	Y167-P169 HydrophobicContact CD1-CG 4.47Å; Y167-P169 HydrophobicContact CE1-CB 4.49Å; Y167-P169 HydrophobicContact CE1-CG 3.75Å; Y167-P169 HydrophobicContact CE2-CB 4.48Å; Y167-P169 HydrophobicContact CE2-CG 4.43Å; P169-E172 PolarHBondContact O-N 2.96Å; P169-Y173 HydrophobicContact CB-CE2 4.39Å; P169-Y173 WeakPolarHBondContact O-CD2 3.26Å; P169-Y173 PolarHBondContact O-N 3.42Å; P169-L201 HydrophobicContact CB-CD1 4.25Å
170	V	98.1	Very high	98	Very high	49 Å²	49	54.5 Å²	54.5	30%	0.297	29%	0.291	S	S	.	.	H	α-helix	trans	-69.3	-42.8	-179.2	-179.9	0	0	0	0	111	N168 Y173 R174 L201	N168-V170 PolarHBondContact O-N 2.66Å; N168-V170 WeakPolarHBondContact OD1-CB 3.3Å; N168-V170 PolarHBondContact OD1-N 3Å; V170-Y173 PolarHBondContact O-N 2.83Å; V170-R174 WeakPolarHBondContact O-CB 3.49Å; V170-R174 PolarHBondContact O-N 3.26Å; V170-L201 HydrophobicContact CG2-CD1 3.66Å
171	E	98.5	Very high	98	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-40.8	176.3	-62.6	-52.6	132.9	0	0	111.7	N168 R174 R175	N168-E171 HydrophobicContact CB-CB 4.04Å; N168-E171 HydrophobicContact CB-CG 3.84Å; N168-E171 PolarHBondContact O-N 2.86Å; N168-E171 PolarHBondContact OD1-N 3.07Å; E171-R174 PolarHBondContact O-N 3.05Å; E171-R174 IonicContact OE1-CZ 2.76Å; E171-R174 IonicContact OE1-NH1 3.26Å; E171-R174 PolarHBondContact OE1-NH1 2.92Å; E171-R174 IonicContact OE2-CZ 3.91Å; E171-R174 IonicContact OE2-NH1 3.94Å; E171-R174 PolarHBondContact OE2-NH1 3.13Å; E171-R175 PolarHBondContact O-N 3.2Å
172	E	98.7	Very high	98.1	Very high	8 Å²	8	55 Å²	55	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-41.8	178.1	173.2	48.2	-155.5	0	0	111.9	Y167 N168 P169 R175 Q176 F396 Y397 I405 K409	Y167-E172 HydrophobicContact CD2-CB 4.49Å; Y167-E172 HydrophobicContact CE2-CB 4.03Å; Y167-E172 HydrophobicContact CE2-CG 4.29Å; N168-E172 PolarHBondContact O-N 3.08Å; P169-E172 PolarHBondContact O-N 2.96Å; E172-R175 WeakPolarHBondContact O-CB 3.41Å; E172-R175 PolarHBondContact O-N 2.76Å; E172-R175 IonicContact OE1-CZ 3.66Å; E172-R175 IonicContact OE1-NE 3.83Å; E172-R175 IonicContact OE1-NH2 2.8Å; E172-R175 PolarHBondContact OE1-NH2 3.25Å; E172-R175 IonicContact OE2-CZ 2.87Å; E172-R175 IonicContact OE2-NE 3.51Å; E172-R175 PolarHBondContact OE2-NE 3.23Å; E172-R175 IonicContact OE2-NH2 3.55Å; E172-Q176 PolarHBondContact O-N 3.23Å; E172-Q176 PolarHBondContact OE1-NE2 2.9Å; E172-F396 WeakPolarHBondContact OE2-CE1 3.45Å; E172-Y397 PolarHBondContact OE1-OH 3.26Å; E172-I405 HydrophobicContact CB-CG2 4.49Å; E172-I405 HydrophobicContact CG-CG2 4.11Å; E172-K409 HydrophobicContact CG-CD 3.85Å
173	Y	98.6	Very high	98.1	Very high	2 Å²	2	51 Å²	51	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-38.8	172.6	-70.6	-48.8	0	0	0	112	P169 V170 R175 Q176 G177 L178 I185 V203 L228	P169-Y173 HydrophobicContact CB-CE2 4.39Å; P169-Y173 WeakPolarHBondContact O-CD2 3.26Å; P169-Y173 PolarHBondContact O-N 3.42Å; V170-Y173 PolarHBondContact O-N 2.83Å; Y173-R175 VanDerWaalsContact C-N 3.33Å; Y173-R175 PolarHBondContact O-N 3.33Å; Y173-Q176 CarbonylContact O-C 3.6Å; Y173-Q176 PolarHBondContact O-N 2.79Å; Y173-Q176 VanDerWaalsContact O-N 3.11Å; Y173-G177 PolarHBondContact O-N 3.33Å; Y173-L178 CarbonylContact C-O 3.55Å; Y173-L178 HydrophobicContact CD1-CD1 4.09Å; Y173-L178 WeakPolarHBondContact O-CB 3.42Å; Y173-L178 PolarHBondContact O-N 2.94Å; Y173-I185 HydrophobicContact CD2-CD1 4.5Å; Y173-V203 HydrophobicContact CD1-CG2 3.62Å; Y173-V203 HydrophobicContact CD2-CG2 3.74Å; Y173-V203 HydrophobicContact CE1-CB 4.18Å; Y173-V203 HydrophobicContact CE1-CG2 3.54Å; Y173-V203 HydrophobicContact CE2-CG2 3.69Å; Y173-V203 HydrophobicContact CG-CG2 3.72Å; Y173-L228 HydrophobicContact CE1-CD2 4.41Å
174	R	98.5	Very high	98.1	Very high	131 Å²	131	53 Å²	53	49%	0.494	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.3	-174	-179.1	-66.5	106	-2.7	111.8	V170 E171 Q176 G177 L178	V170-R174 WeakPolarHBondContact O-CB 3.49Å; V170-R174 PolarHBondContact O-N 3.26Å; E171-R174 PolarHBondContact O-N 3.05Å; E171-R174 IonicContact OE1-CZ 2.76Å; E171-R174 IonicContact OE1-NH1 3.26Å; E171-R174 PolarHBondContact OE1-NH1 2.92Å; E171-R174 IonicContact OE2-CZ 3.91Å; E171-R174 IonicContact OE2-NH1 3.94Å; E171-R174 PolarHBondContact OE2-NH1 3.13Å; R174-Q176 PolarHBondContact O-N 3.45Å; R174-G177 PolarHBondContact O-N 2.81Å; R174-L178 WeakPolarHBondContact CA-O 3.26Å; R174-L178 PolarHBondContact N-O 2.69Å
175	R	98.2	Very high	98.1	Very high	89 Å²	89	52.8 Å²	52.8	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-56	-36.7	174.9	-171.6	-164.5	66.5	80.7	-0.9	111.7	E171 E172 Y173 G177 D394 F396 Y397	E171-R175 PolarHBondContact O-N 3.2Å; E172-R175 WeakPolarHBondContact O-CB 3.41Å; E172-R175 PolarHBondContact O-N 2.76Å; E172-R175 IonicContact OE1-CZ 3.66Å; E172-R175 IonicContact OE1-NE 3.83Å; E172-R175 IonicContact OE1-NH2 2.8Å; E172-R175 PolarHBondContact OE1-NH2 3.25Å; E172-R175 IonicContact OE2-CZ 2.87Å; E172-R175 IonicContact OE2-NE 3.51Å; E172-R175 PolarHBondContact OE2-NE 3.23Å; E172-R175 IonicContact OE2-NH2 3.55Å; Y173-R175 VanDerWaalsContact C-N 3.33Å; Y173-R175 PolarHBondContact O-N 3.33Å; R175-G177 VanDerWaalsContact C-N 3.26Å; R175-G177 PolarHBondContact O-N 2.92Å; R175-D394 IonicContact CZ-OD2 3.93Å; R175-D394 VanDerWaalsContact CZ-OD2 3.3Å; R175-D394 IonicContact NH1-OD1 2.7Å; R175-D394 IonicContact NH1-OD2 3.3Å; R175-D394 PolarHBondContact NH1-OD2 2.88Å; R175-D394 IonicContact NH2-OD2 2.65Å; R175-D394 PolarHBondContact NH2-OD2 3.26Å; R175-F396 VanDerWaalsContact NE-CD1 3.28Å; R175-Y397 VanDerWaalsContact NH2-CZ 3.33Å; R175-Y397 PolarHBondContact NH2-OH 2.67Å; R175-Y397 VanDerWaalsContact NH2-OH 3.15Å
176	Q	98.3	Very high	98.2	Very high	19 Å²	19	48 Å²	48	9%	0.089	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	3	176	-61.7	-174.8	38.7	0	0	114.2	E172 Y173 R174 L178 W230 I231 Y397	E172-Q176 PolarHBondContact O-N 3.23Å; E172-Q176 PolarHBondContact OE1-NE2 2.9Å; Y173-Q176 CarbonylContact O-C 3.6Å; Y173-Q176 PolarHBondContact O-N 2.79Å; Y173-Q176 VanDerWaalsContact O-N 3.11Å; R174-Q176 PolarHBondContact O-N 3.45Å; Q176-L178 HydrophobicContact CB-CD1 4.14Å; Q176-L178 HydrophobicContact CB-CG 4.5Å; Q176-W230 VanDerWaalsContact OE1-CA 3.29Å; Q176-I231 HydrophobicContact CB-CG2 3.86Å; Q176-I231 WeakPolarHBondContact O-CG2 3.43Å; Q176-Y397 PolarHBondContact NE2-OH 3.4Å; Q176-Y397 VanDerWaalsContact NE2-OH 3.13Å
177	G	98.2	Very high	98.2	Very high	46 Å²	46	53.4 Å²	53.4	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	33.8	-178.5	0	0	0	0	0	113.7	Y173 R174 R175 N180	Y173-G177 PolarHBondContact O-N 3.33Å; R174-G177 PolarHBondContact O-N 2.81Å; R175-G177 VanDerWaalsContact C-N 3.26Å; R175-G177 PolarHBondContact O-N 2.92Å; G177-N180 PolarHBondContact O-ND2 3.43Å
178	L	98.1	Very high	98.2	Very high	7 Å²	7	53 Å²	53	4%	0.037	27%	0.265	C	S	.	.			trans	-118.8	149.4	179.2	-60.8	163	0	0	0	111.2	Y173 R174 Q176 N180 W183 V203 L228 I231	Y173-L178 CarbonylContact C-O 3.55Å; Y173-L178 HydrophobicContact CD1-CD1 4.09Å; Y173-L178 WeakPolarHBondContact O-CB 3.42Å; Y173-L178 PolarHBondContact O-N 2.94Å; R174-L178 WeakPolarHBondContact CA-O 3.26Å; R174-L178 PolarHBondContact N-O 2.69Å; Q176-L178 HydrophobicContact CB-CD1 4.14Å; Q176-L178 HydrophobicContact CB-CG 4.5Å; L178-N180 WeakPolarHBondContact CD2-ND2 3.29Å; L178-W183 HydrophobicContact CD2-CB 3.46Å; L178-W183 VanDerWaalsContact CD2-CB 3.46Å; L178-W183 HydrophobicContact CD2-CG 3.96Å; L178-V203 HydrophobicContact CD1-CG1 4.23Å; L178-V203 HydrophobicContact CD2-CG1 4.44Å; L178-L228 HydrophobicContact CD1-CD1 3.98Å; L178-L228 HydrophobicContact CD1-CD2 3.53Å; L178-L228 HydrophobicContact CD1-CG 4.43Å; L178-L228 HydrophobicContact CD2-CD1 4.35Å; L178-I231 HydrophobicContact CD1-CG2 3.82Å; L178-I231 HydrophobicContact CD2-CG2 4.39Å; L178-I231 HydrophobicContact CG-CG2 4.08Å
179	P	97.9	Very high	98.2	Very high	81 Å²	81	49.4 Å²	49.4	53%	0.526	25%	0.245	S	C	.	.	S	Bend	cis	-68.8	164.8	-6.4	32.5	-36.4	0	0	0	112.1	W183	P179-W183 WeakPolarHBondContact CA-O 3.36Å; P179-W183 WeakPolarHBondContact CB-O 3.36Å
180	N	97.3	Very high	98.2	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.241	26%	0.264	C	S	.	.			trans	-145.7	-169.4	174.9	63.8	40.8	0	0	0	110.7	G177 L178 H182 W183	G177-N180 PolarHBondContact O-ND2 3.43Å; L178-N180 WeakPolarHBondContact CD2-ND2 3.29Å; N180-H182 PolarHBondContact O-N 3.05Å; N180-H182 WeakPolarHBondContact OD1-CA 3.36Å; N180-H182 PolarHBondContact OD1-N 3.02Å; N180-W183 PolarHBondContact N-O 3.5Å; N180-W183 PolarHBondContact O-N 3.18Å; N180-W183 PolarHBondContact OD1-N 2.77Å
181	H	96.2	Very high	98.2	Very high	142 Å²	142	56.5 Å²	56.5	66%	0.657	28%	0.279	S	S	*	.	S	Bend	trans	-67.6	-15.3	-177.6	60.9	-81.9	0	0	0	114.6
182	H	97.9	Very high	98.2	Very high	56 Å²	56	52.5 Å²	52.5	26%	0.259	26%	0.26	S	S	.	.	S	Bend	trans	-107.7	-21.6	178	-66	121.9	0	0	0	113.8	N180 P205 Y206 T267	N180-H182 PolarHBondContact O-N 3.05Å; N180-H182 WeakPolarHBondContact OD1-CA 3.36Å; N180-H182 PolarHBondContact OD1-N 3.02Å; H182-P205 CarbonylContact O-C 3.19Å; H182-P205 WeakPolarHBondContact O-CA 3.23Å; H182-Y206 PolarHBondContact O-N 3Å; H182-T267 HydrophobicContact CB-CG2 4.25Å; H182-T267 PolarHBondContact CE1-O 2.84Å; H182-T267 PolarHBondContact ND1-O 2.91Å
183	W	98.6	Very high	98.2	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.011	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.4	-173.2	-66.4	93.2	0	0	0	111.3	L178 P179 N180 V203 V204 P205 L228 V238 V240 I264 T267	L178-W183 HydrophobicContact CD2-CB 3.46Å; L178-W183 VanDerWaalsContact CD2-CB 3.46Å; L178-W183 HydrophobicContact CD2-CG 3.96Å; P179-W183 WeakPolarHBondContact CA-O 3.36Å; P179-W183 WeakPolarHBondContact CB-O 3.36Å; N180-W183 PolarHBondContact N-O 3.5Å; N180-W183 PolarHBondContact O-N 3.18Å; N180-W183 PolarHBondContact OD1-N 2.77Å; W183-V203 HydrophobicContact CB-CG1 4.04Å; W183-V203 HydrophobicContact CD2-CG1 4.5Å; W183-V203 HydrophobicContact CE3-CG1 3.94Å; W183-V204 WeakPolarHBondContact CA-O 3.5Å; W183-V204 VanDerWaalsContact CE3-C 3.4Å; W183-P205 HydrophobicContact CE3-CG 4.41Å; W183-P205 HydrophobicContact CH2-CG 4.2Å; W183-P205 HydrophobicContact CZ3-CG 3.93Å; W183-L228 HydrophobicContact CD2-CD1 3.49Å; W183-L228 VanDerWaalsContact CD2-CD1 3.49Å; W183-L228 HydrophobicContact CE3-CB 4Å; W183-L228 HydrophobicContact CE3-CD1 3.6Å; W183-L228 HydrophobicContact CE3-CG 4.47Å; W183-L228 HydrophobicContact CG-CD1 3.99Å; W183-L228 HydrophobicContact CH2-CB 4.41Å; W183-L228 HydrophobicContact CH2-CD1 4.18Å; W183-L228 HydrophobicContact CZ2-CD1 4.1Å; W183-L228 HydrophobicContact CZ3-CB 3.82Å; W183-L228 HydrophobicContact CZ3-CD1 3.94Å; W183-L228 HydrophobicContact CZ3-CG 4.48Å; W183-V238 HydrophobicContact CH2-CG2 4.05Å; W183-V238 HydrophobicContact CZ2-CB 4.14Å; W183-V238 HydrophobicContact CZ2-CG1 3.66Å; W183-V238 HydrophobicContact CZ2-CG2 3.67Å; W183-V240 HydrophobicContact CH2-CG1 3.82Å; W183-V240 HydrophobicContact CZ3-CG1 4.42Å; W183-I264 HydrophobicContact CH2-CG1 4.29Å; W183-I264 HydrophobicContact CH2-CG2 4.13Å; W183-T267 HydrophobicContact CH2-CG2 4.49Å; W183-T267 HydrophobicContact CZ2-CG2 3.75Å; W183-T267 WeakPolarHBondContact CZ2-OG1 3.47Å
184	R	98.5	Very high	98.2	Very high	44 Å²	44	60.3 Å²	60.3	17%	0.166	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.9	178.1	68.5	-178.7	-176.7	89.4	4.5	111.2	T186 V203 V204 Y206 A208 D210	R184-T186 VanDerWaalsContact NH1-CB 3.28Å; R184-T186 PolarHBondContact NH1-OG1 2.72Å; R184-V203 WeakPolarHBondContact O-CA 3.39Å; R184-V204 HydrophobicContact CG-CG2 3.77Å; R184-V204 PolarHBondContact N-O 3.13Å; R184-V204 PolarHBondContact O-N 3.5Å; R184-Y206 HydrophobicContact CB-CD2 4.09Å; R184-A208 VanDerWaalsContact CZ-O 3.23Å; R184-A208 PolarHBondContact NE-O 2.78Å; R184-A208 PolarHBondContact NH2-O 3.33Å; R184-D210 IonicContact CZ-OD1 3.96Å; R184-D210 VanDerWaalsContact CZ-OD1 3.31Å; R184-D210 IonicContact NH1-OD1 3.98Å; R184-D210 PolarHBondContact NH1-OD1 3.12Å; R184-D210 IonicContact NH2-OD1 3.7Å; R184-D210 PolarHBondContact NH2-OD1 3.47Å
185	I	98.6	Very high	98.2	Very high	30 Å²	30	54.2 Å²	54.2	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.9	164.1	-60.9	170.1	0	0	0	107.1	Y173 F187 L201 L202 V203	Y173-I185 HydrophobicContact CD2-CD1 4.5Å; I185-F187 HydrophobicContact CG2-CZ 4.37Å; I185-L201 HydrophobicContact CG2-CB 4.39Å; I185-L201 HydrophobicContact CG2-CD2 4.46Å; I185-L202 WeakPolarHBondContact CA-O 3.42Å; I185-V203 HydrophobicContact CG1-CG2 3.87Å
186	T	98.4	Very high	98.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	146	170.6	-177	0	0	0	0	110.7	R184 I188 L202 V204 D210 L213	R184-T186 VanDerWaalsContact NH1-CB 3.28Å; R184-T186 PolarHBondContact NH1-OG1 2.72Å; T186-I188 HydrophobicContact CG2-CG2 3.77Å; T186-I188 WeakPolarHBondContact OG1-CB 3.36Å; T186-I188 WeakPolarHBondContact OG1-CG2 3.32Å; T186-I188 PolarHBondContact OG1-N 3.4Å; T186-I188 VanDerWaalsContact OG1-N 3.17Å; T186-L202 HydrophobicContact CG2-CB 3.79Å; T186-L202 WeakPolarHBondContact CG2-O 3.5Å; T186-L202 PolarHBondContact N-O 3.39Å; T186-L202 PolarHBondContact O-N 3.26Å; T186-V204 HydrophobicContact CG2-CG1 4.11Å; T186-V204 HydrophobicContact CG2-CG2 4.01Å; T186-D210 PolarHBondContact OG1-OD1 3.36Å; T186-D210 PolarHBondContact OG1-OD2 3.19Å; T186-L213 HydrophobicContact CG2-CD1 3.94Å
187	F	98.1	Very high	98.2	Very high	130 Å²	130	54.3 Å²	54.3	57%	0.57	28%	0.282	S	S	*	.			trans	-104.2	8.5	174.6	-60	-84.9	0	0	0	112.1	I185 N189 K190 L201	I185-F187 HydrophobicContact CG2-CZ 4.37Å; F187-N189 PolarHBondContact O-N 2.87Å; F187-N189 VanDerWaalsContact O-N 3.09Å; F187-K190 HydrophobicContact CB-CB 4.43Å; F187-K190 WeakPolarHBondContact O-CB 3.48Å; F187-K190 PolarHBondContact O-N 3.37Å; F187-L201 HydrophobicContact CD1-CD2 3.33Å; F187-L201 HydrophobicContact CE1-CD2 3.43Å; F187-L201 VanDerWaalsContact CE1-CD2 3.43Å; F187-L201 HydrophobicContact CG-CD2 4.39Å
188	I	98.6	Very high	98.2	Very high	22 Å²	22	52.1 Å²	52.1	11%	0.113	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.4	-179.2	-163.2	-179.5	0	0	0	112.8	T186 L194 D210 L213 R214	T186-I188 HydrophobicContact CG2-CG2 3.77Å; T186-I188 WeakPolarHBondContact OG1-CB 3.36Å; T186-I188 WeakPolarHBondContact OG1-CG2 3.32Å; T186-I188 PolarHBondContact OG1-N 3.4Å; T186-I188 VanDerWaalsContact OG1-N 3.17Å; I188-L194 HydrophobicContact CD1-CD1 4.32Å; I188-L194 HydrophobicContact CD1-CD2 4.35Å; I188-L194 HydrophobicContact CG2-CD2 3.7Å; I188-D210 HydrophobicContact CB-CB 4.47Å; I188-D210 HydrophobicContact CD1-CB 3.67Å; I188-D210 VanDerWaalsContact CD1-O 3.27Å; I188-D210 WeakPolarHBondContact CD1-O 3.38Å; I188-D210 HydrophobicContact CG1-CB 4.26Å; I188-L213 HydrophobicContact CD1-CB 4.3Å; I188-L213 HydrophobicContact CG2-CD1 4.05Å; I188-R214 HydrophobicContact CD1-CG 3.91Å
189	N	98.8	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.7	178.9	-155.1	47	0	0	0	113.5	F187 C191 Y192 L194 C195 P199 A200 L202	F187-N189 PolarHBondContact O-N 2.87Å; F187-N189 VanDerWaalsContact O-N 3.09Å; N189-C191 PolarHBondContact O-N 3.48Å; N189-C191 VanDerWaalsContact O-N 3.11Å; N189-Y192 WeakPolarHBondContact O-CA 3.48Å; N189-Y192 PolarHBondContact O-N 3.3Å; N189-Y192 WeakPolarHBondContact OD1-CA 3.04Å; N189-L194 HydrophobicContact CB-CB 4.27Å; N189-L194 WeakPolarHBondContact OD1-CB 3.25Å; N189-L194 PolarHBondContact OD1-N 2.92Å; N189-L194 VanDerWaalsContact OD1-N 3.15Å; N189-C195 PolarHBondContact ND2-O 2.97Å; N189-C195 PolarHBondContact OD1-N 3.29Å; N189-C195 PolarHBondContact OD1-O 3.09Å; N189-P199 PolarHBondContact ND2-O 3.41Å; N189-A200 CarbonylContact C-O 3.55Å; N189-A200 WeakPolarHBondContact O-CA 3.47Å; N189-L202 HydrophobicContact CB-CD1 3.78Å; N189-L202 HydrophobicContact CB-CG 4.25Å
190	K	98.3	Very high	98.3	Very high	137 Å²	137	48.8 Å²	48.8	60%	0.596	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-33	-177.2	-178.2	179.9	178.1	-176.9	0	112.8	F187 A200	F187-K190 HydrophobicContact CB-CB 4.43Å; F187-K190 WeakPolarHBondContact O-CB 3.48Å; F187-K190 PolarHBondContact O-N 3.37Å; K190-A200 PolarHBondContact N-O 3.16Å
191	C	98.1	Very high	98.4	Very high	90 Å²	90	47.9 Å²	47.9	61%	0.608	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	15.9	176.4	-62.1	0	0	0	0	112.9	N189 E193	N189-C191 PolarHBondContact O-N 3.48Å; N189-C191 VanDerWaalsContact O-N 3.11Å; C191-E193 HydrophobicContact CB-CG 4.2Å; C191-E193 PolarHBondContact O-N 3Å
192	Y	98.4	Very high	98.5	Very high	19 Å²	19	41.1 Å²	41.1	8%	0.075	20%	0.204	C	C	.	.	S	Bend	trans	63.3	19.4	177.3	-54.3	-73.6	0	0	0	115.7	N189 C195 D196 Y198 A200 E483 S484 E487	N189-Y192 WeakPolarHBondContact O-CA 3.48Å; N189-Y192 PolarHBondContact O-N 3.3Å; N189-Y192 WeakPolarHBondContact OD1-CA 3.04Å; Y192-C195 CarbonylContact O-C 3.55Å; Y192-D196 PolarHBondContact O-N 2.97Å; Y192-Y198 WeakPolarHBondContact CD1-O 3.16Å; Y192-Y198 WeakPolarHBondContact CE1-O 3.22Å; Y192-A200 HydrophobicContact CE1-CB 4.14Å; Y192-E483 HydrophobicContact CE1-CB 4.18Å; Y192-E483 HydrophobicContact CE1-CG 4.45Å; Y192-E483 WeakPolarHBondContact CE1-OE2 3.39Å; Y192-E483 WeakPolarHBondContact OH-CG 3.4Å; Y192-E483 PolarHBondContact OH-OE2 3.05Å; Y192-S484 WeakPolarHBondContact CD2-OG 3.35Å; Y192-E487 VanDerWaalsContact CE2-OE2 3.32Å; Y192-E487 WeakPolarHBondContact CE2-OE2 3.42Å; Y192-E487 PolarHBondContact OH-OE1 3.15Å; Y192-E487 VanDerWaalsContact OH-OE1 3.06Å; Y192-E487 PolarHBondContact OH-OE2 3.04Å
193	E	98.1	Very high	98.5	Very high	163 Å²	163	38.5 Å²	38.5	76%	0.762	19%	0.192	S	C	*	.	S	Bend	trans	-77.3	-31.6	-176.1	-63.9	179.9	177.6	0	0	113.2	C191	C191-E193 HydrophobicContact CB-CG 4.2Å; C191-E193 PolarHBondContact O-N 3Å
194	L	98.6	Very high	98.6	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.063	19%	0.191	C	C	.	.	S	Bend	trans	-72.6	-51	176.6	-176.2	70.3	0	0	0	109.9	I188 N189 L202 L213 R214 A217 N223 I225	I188-L194 HydrophobicContact CD1-CD1 4.32Å; I188-L194 HydrophobicContact CD1-CD2 4.35Å; I188-L194 HydrophobicContact CG2-CD2 3.7Å; N189-L194 HydrophobicContact CB-CB 4.27Å; N189-L194 WeakPolarHBondContact OD1-CB 3.25Å; N189-L194 PolarHBondContact OD1-N 2.92Å; N189-L194 VanDerWaalsContact OD1-N 3.15Å; L194-L202 HydrophobicContact CD2-CD1 4.27Å; L194-L213 HydrophobicContact CD2-CB 4.39Å; L194-R214 HydrophobicContact CD1-CG 4.2Å; L194-A217 HydrophobicContact CD1-CB 3.6Å; L194-A217 HydrophobicContact CG-CB 4.28Å; L194-N223 WeakPolarHBondContact O-CB 3.21Å; L194-N223 PolarHBondContact O-ND2 3.12Å; L194-I225 HydrophobicContact CD2-CD1 3.9Å; L194-I225 HydrophobicContact CD2-CG1 4.43Å
195	C	98.8	Very high	98.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.183	C	C	.	.			trans	-149.1	113.8	179.1	-179.9	0	0	0	0	110.7	N189 Y192 T197 Y198 R222 N223 R224	N189-C195 PolarHBondContact ND2-O 2.97Å; N189-C195 PolarHBondContact OD1-N 3.29Å; N189-C195 PolarHBondContact OD1-O 3.09Å; Y192-C195 CarbonylContact O-C 3.55Å; C195-T197 PolarHBondContact O-N 3.17Å; C195-T197 PolarHBondContact SG-OG1 2.79Å; C195-Y198 HydrophobicContact CB-CD2 4.39Å; C195-Y198 HydrophobicContact CB-CG 4.21Å; C195-Y198 PolarHBondContact O-N 2.82Å; C195-R222 PolarHBondContact SG-O 2.94Å; C195-N223 HydrophobicContact CB-CB 4.14Å; C195-N223 WeakPolarHBondContact CB-O 3.3Å; C195-R224 WeakPolarHBondContact SG-CG 3.36Å
196	D	98.6	Very high	98.5	Very high	94 Å²	94	41.9 Å²	41.9	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.2	-175	70.3	-19.5	0	0	0	115.2	Y192 C482	Y192-D196 PolarHBondContact O-N 2.97Å; D196-C482 PolarHBondContact O-SG 2.89Å; D196-C482 VanDerWaalsContact O-SG 3.35Å
197	T	98.7	Very high	98.5	Very high	16 Å²	16	49.5 Å²	49.5	10%	0.098	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	3.4	178.9	55.7	0	0	0	0	113.3	C195 R224 W379 F414 C482	C195-T197 PolarHBondContact O-N 3.17Å; C195-T197 PolarHBondContact SG-OG1 2.79Å; T197-R224 VanDerWaalsContact CB-NH1 3.3Å; T197-R224 PolarHBondContact O-NH1 2.8Å; T197-R224 PolarHBondContact OG1-NH1 3.48Å; T197-W379 HydrophobicContact CG2-CZ3 4.37Å; T197-F414 CarbonylContact O-C 3.42Å; T197-C482 HydrophobicContact CG2-CB 4.39Å
198	Y	98.8	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-99.4	164	172.1	-97.9	18.2	0	0	0	111.4	Y192 C195 L202 R224 I225 V227 R241 F414	Y192-Y198 WeakPolarHBondContact CD1-O 3.16Å; Y192-Y198 WeakPolarHBondContact CE1-O 3.22Å; C195-Y198 HydrophobicContact CB-CD2 4.39Å; C195-Y198 HydrophobicContact CB-CG 4.21Å; C195-Y198 PolarHBondContact O-N 2.82Å; Y198-L202 HydrophobicContact CD2-CD1 4.03Å; Y198-L202 HydrophobicContact CD2-CD2 3.56Å; Y198-L202 HydrophobicContact CD2-CG 4.47Å; Y198-L202 HydrophobicContact CE2-CD2 4.31Å; Y198-L202 HydrophobicContact CG-CD2 4.17Å; Y198-R224 HydrophobicContact CD1-CB 4.39Å; Y198-R224 HydrophobicContact CD1-CG 4.03Å; Y198-R224 HydrophobicContact CE1-CB 3.71Å; Y198-R224 HydrophobicContact CE1-CG 3.78Å; Y198-I225 HydrophobicContact CE2-CG1 4.28Å; Y198-I225 VanDerWaalsContact CE2-O 3.26Å; Y198-I225 WeakPolarHBondContact CE2-O 3.33Å; Y198-I225 PolarHBondContact OH-O 2.88Å; Y198-V227 HydrophobicContact CD2-CG1 4.49Å; Y198-V227 HydrophobicContact CD2-CG2 4.37Å; Y198-V227 HydrophobicContact CE2-CB 4.41Å; Y198-V227 HydrophobicContact CE2-CG1 3.88Å; Y198-V227 HydrophobicContact CE2-CG2 3.58Å; Y198-R241 PolarHBondContact OH-O 2.94Å; Y198-F414 AromaticContact CD1-CD1 3.97Å; Y198-F414 HydrophobicContact CD1-CD1 3.97Å; Y198-F414 HydrophobicContact CD1-CE1 4.29Å; Y198-F414 AromaticContact CE1-CD1 3.82Å; Y198-F414 HydrophobicContact CE1-CD1 3.82Å; Y198-F414 HydrophobicContact CE1-CE1 4.05Å; Y198-F414 HydrophobicContact CE2-CE1 4.41Å
199	P	98.8	Very high	98.5	Very high	3 Å²	3	45 Å²	45	2%	0.019	22%	0.219	C	C	.	.			trans	-67.2	160.6	173.2	28.1	-33.6	0	0	0	111.8	N189 L201 L202 S413 F414 E483	N189-P199 PolarHBondContact ND2-O 3.41Å; P199-L201 VanDerWaalsContact C-N 3.27Å; P199-L201 PolarHBondContact O-N 2.83Å; P199-L202 HydrophobicContact CG-CD2 3.8Å; P199-S413 WeakPolarHBondContact CD-O 3.48Å; P199-F414 HydrophobicContact CG-CE1 4.3Å; P199-F414 HydrophobicContact CG-CE2 4.31Å; P199-F414 HydrophobicContact CG-CZ 4.18Å; P199-E483 VanDerWaalsContact CA-OE2 3.26Å; P199-E483 WeakPolarHBondContact CA-OE2 3.41Å
200	A	98.6	Very high	98.5	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	-61.2	-35.8	178.2	0	0	0	0	0	112.8	N189 K190 Y192 E483	N189-A200 CarbonylContact C-O 3.55Å; N189-A200 WeakPolarHBondContact O-CA 3.47Å; K190-A200 PolarHBondContact N-O 3.16Å; Y192-A200 HydrophobicContact CE1-CB 4.14Å; A200-E483 PolarHBondContact N-OE2 3.34Å
201	L	98.6	Very high	98.5	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.141	23%	0.226	C	C	.	.			trans	-106.1	131.4	178.7	-58	-176.3	0	0	0	110.5	P169 V170 I185 F187 P199	P169-L201 HydrophobicContact CB-CD1 4.25Å; V170-L201 HydrophobicContact CG2-CD1 3.66Å; I185-L201 HydrophobicContact CG2-CB 4.39Å; I185-L201 HydrophobicContact CG2-CD2 4.46Å; F187-L201 HydrophobicContact CD1-CD2 3.33Å; F187-L201 HydrophobicContact CE1-CD2 3.43Å; F187-L201 VanDerWaalsContact CE1-CD2 3.43Å; F187-L201 HydrophobicContact CG-CD2 4.39Å; P199-L201 VanDerWaalsContact C-N 3.27Å; P199-L201 PolarHBondContact O-N 2.83Å
202	L	98.8	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.3	178.4	-56.9	173.4	0	0	0	110.1	I185 T186 N189 L194 Y198 P199 V227	I185-L202 WeakPolarHBondContact CA-O 3.42Å; T186-L202 HydrophobicContact CG2-CB 3.79Å; T186-L202 WeakPolarHBondContact CG2-O 3.5Å; T186-L202 PolarHBondContact N-O 3.39Å; T186-L202 PolarHBondContact O-N 3.26Å; N189-L202 HydrophobicContact CB-CD1 3.78Å; N189-L202 HydrophobicContact CB-CG 4.25Å; L194-L202 HydrophobicContact CD2-CD1 4.27Å; Y198-L202 HydrophobicContact CD2-CD1 4.03Å; Y198-L202 HydrophobicContact CD2-CD2 3.56Å; Y198-L202 HydrophobicContact CD2-CG 4.47Å; Y198-L202 HydrophobicContact CE2-CD2 4.31Å; Y198-L202 HydrophobicContact CG-CD2 4.17Å; P199-L202 HydrophobicContact CG-CD2 3.8Å; L202-V227 HydrophobicContact CB-CG1 4.14Å; L202-V227 HydrophobicContact CD1-CG1 4.31Å; L202-V227 HydrophobicContact CD2-CG1 4.2Å; L202-V227 HydrophobicContact CD2-CG2 4.41Å; L202-V227 HydrophobicContact CG-CG1 4.45Å
203	V	98.9	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.2	171.3	175.7	0	0	0	0	109.6	Y173 L178 W183 R184 I185 L228	Y173-V203 HydrophobicContact CD1-CG2 3.62Å; Y173-V203 HydrophobicContact CD2-CG2 3.74Å; Y173-V203 HydrophobicContact CE1-CB 4.18Å; Y173-V203 HydrophobicContact CE1-CG2 3.54Å; Y173-V203 HydrophobicContact CE2-CG2 3.69Å; Y173-V203 HydrophobicContact CG-CG2 3.72Å; L178-V203 HydrophobicContact CD1-CG1 4.23Å; L178-V203 HydrophobicContact CD2-CG1 4.44Å; W183-V203 HydrophobicContact CB-CG1 4.04Å; W183-V203 HydrophobicContact CD2-CG1 4.5Å; W183-V203 HydrophobicContact CE3-CG1 3.94Å; R184-V203 WeakPolarHBondContact O-CA 3.39Å; I185-V203 HydrophobicContact CG1-CG2 3.87Å; V203-L228 HydrophobicContact CB-CB 3.96Å; V203-L228 HydrophobicContact CG1-CB 3.77Å; V203-L228 HydrophobicContact CG1-CD1 3.99Å; V203-L228 HydrophobicContact CG1-CD2 4.32Å; V203-L228 HydrophobicContact CG1-CG 4.26Å; V203-L228 PolarHBondContact O-N 3.28Å
204	V	98.9	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	162.1	-173.7	-61.3	0	0	0	0	110	W183 R184 T186 Y206 L213 V227 Y260	W183-V204 WeakPolarHBondContact CA-O 3.5Å; W183-V204 VanDerWaalsContact CE3-C 3.4Å; R184-V204 HydrophobicContact CG-CG2 3.77Å; R184-V204 PolarHBondContact N-O 3.13Å; R184-V204 PolarHBondContact O-N 3.5Å; T186-V204 HydrophobicContact CG2-CG1 4.11Å; T186-V204 HydrophobicContact CG2-CG2 4.01Å; V204-Y206 PolarHBondContact O-N 3.12Å; V204-L213 HydrophobicContact CB-CD2 4.25Å; V204-L213 HydrophobicContact CG1-CD1 4.07Å; V204-L213 HydrophobicContact CG1-CD2 4.02Å; V204-L213 HydrophobicContact CG2-CD1 4.17Å; V204-V227 HydrophobicContact CG1-CG1 4.17Å; V204-Y260 WeakPolarHBondContact CG1-OH 3.44Å
205	P	98.6	Very high	98.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	138.4	175.5	-24.6	34.6	0	0	0	112.1	H182 W183 R207 A208 Y260 V263 I264 T267	H182-P205 CarbonylContact O-C 3.19Å; H182-P205 WeakPolarHBondContact O-CA 3.23Å; W183-P205 HydrophobicContact CE3-CG 4.41Å; W183-P205 HydrophobicContact CH2-CG 4.2Å; W183-P205 HydrophobicContact CZ3-CG 3.93Å; P205-R207 PolarHBondContact O-N 3.19Å; P205-R207 VanDerWaalsContact O-N 3.17Å; P205-A208 HydrophobicContact CB-CB 4.5Å; P205-A208 PolarHBondContact O-N 3.32Å; P205-Y260 WeakPolarHBondContact CD-OH 3.43Å; P205-Y260 HydrophobicContact CG-CE2 4.29Å; P205-V263 HydrophobicContact CB-CG1 3.49Å; P205-V263 VanDerWaalsContact CB-CG1 3.49Å; P205-V263 HydrophobicContact CG-CG1 4.04Å; P205-I264 HydrophobicContact CG-CB 4.49Å; P205-I264 HydrophobicContact CG-CG1 3.53Å; P205-T267 HydrophobicContact CB-CG2 4.16Å; P205-T267 HydrophobicContact CG-CG2 4.44Å
206	Y	98	Very high	98.5	Very high	148 Å²	148	43.4 Å²	43.4	58%	0.58	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.7	-179.1	-174.9	-86.5	0	0	0	112.2	H182 R184 V204 A208	H182-Y206 PolarHBondContact O-N 3Å; R184-Y206 HydrophobicContact CB-CD2 4.09Å; V204-Y206 PolarHBondContact O-N 3.12Å; Y206-A208 VanDerWaalsContact C-N 3.33Å; Y206-A208 PolarHBondContact O-N 3Å
207	R	97.8	Very high	98.6	Very high	161 Å²	161	39.1 Å²	39.1	61%	0.608	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.1	-179.2	-67.8	-179.3	175.5	-177.8	-4.6	114.8	P205 V263 E266	P205-R207 PolarHBondContact O-N 3.19Å; P205-R207 VanDerWaalsContact O-N 3.17Å; R207-V263 HydrophobicContact CB-CG1 3.96Å; R207-E266 IonicContact NH1-OE2 2.9Å; R207-E266 PolarHBondContact NH1-OE2 3.2Å
208	A	98	Very high	98.5	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.033	20%	0.201	C	C	.	.	S	Bend	trans	-86.6	121.5	177.7	0	0	0	0	0	109.3	R184 P205 Y206 L213 Y260	R184-A208 VanDerWaalsContact CZ-O 3.23Å; R184-A208 PolarHBondContact NE-O 2.78Å; R184-A208 PolarHBondContact NH2-O 3.33Å; P205-A208 HydrophobicContact CB-CB 4.5Å; P205-A208 PolarHBondContact O-N 3.32Å; Y206-A208 VanDerWaalsContact C-N 3.33Å; Y206-A208 PolarHBondContact O-N 3Å; A208-L213 HydrophobicContact CB-CD2 4.26Å; A208-Y260 HydrophobicContact CB-CD2 3.8Å; A208-Y260 HydrophobicContact CB-CE2 3.56Å
209	S	98.3	Very high	98.5	Very high	52 Å²	52	43.5 Å²	43.5	36%	0.364	20%	0.204	S	C	.	.			trans	-76.2	161.1	173.9	70	0	0	0	0	111.3	D211 D212 L213	S209-D211 PolarHBondContact O-N 3.4Å; S209-D212 WeakPolarHBondContact CB-OD2 3.47Å; S209-D212 PolarHBondContact N-OD2 3.08Å; S209-D212 WeakPolarHBondContact O-CB 3.31Å; S209-D212 PolarHBondContact O-N 3Å; S209-D212 VanDerWaalsContact O-N 3.09Å; S209-D212 PolarHBondContact OG-N 3.39Å; S209-D212 PolarHBondContact OG-OD2 2.81Å; S209-L213 WeakPolarHBondContact O-CG 3.37Å; S209-L213 PolarHBondContact O-N 3.2Å; S209-L213 VanDerWaalsContact O-N 3.14Å
210	D	98.6	Very high	98.5	Very high	52 Å²	52	43.3 Å²	43.3	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-29	176.4	-77.5	-3.5	0	0	0	112.5	R184 T186 I188 L213 R214	R184-D210 IonicContact CZ-OD1 3.96Å; R184-D210 VanDerWaalsContact CZ-OD1 3.31Å; R184-D210 IonicContact NH1-OD1 3.98Å; R184-D210 PolarHBondContact NH1-OD1 3.12Å; R184-D210 IonicContact NH2-OD1 3.7Å; R184-D210 PolarHBondContact NH2-OD1 3.47Å; T186-D210 PolarHBondContact OG1-OD1 3.36Å; T186-D210 PolarHBondContact OG1-OD2 3.19Å; I188-D210 HydrophobicContact CB-CB 4.47Å; I188-D210 HydrophobicContact CD1-CB 3.67Å; I188-D210 VanDerWaalsContact CD1-O 3.27Å; I188-D210 WeakPolarHBondContact CD1-O 3.38Å; I188-D210 HydrophobicContact CG1-CB 4.26Å; D210-L213 WeakPolarHBondContact O-CB 3.48Å; D210-L213 PolarHBondContact O-N 2.94Å; D210-R214 PolarHBondContact O-N 3.33Å; D210-R214 VanDerWaalsContact O-N 3.1Å
211	D	98.5	Very high	98.5	Very high	88 Å²	88	43.5 Å²	43.5	47%	0.471	20%	0.203	S	C	.	.	H	α-helix	trans	-70.6	-34.8	173	-72.6	-28.8	0	0	0	113	S209 L213 R214 R215	S209-D211 PolarHBondContact O-N 3.4Å; D211-L213 VanDerWaalsContact C-N 3.31Å; D211-R214 PolarHBondContact O-N 3Å; D211-R214 IonicContact OD1-CZ 3.04Å; D211-R214 IonicContact OD1-NH1 3.59Å; D211-R214 PolarHBondContact OD1-NH1 3.17Å; D211-R215 PolarHBondContact O-N 3.29Å; D211-R215 PolarHBondContact O-NH1 3.04Å
212	D	98.4	Very high	98.5	Very high	29 Å²	29	48.1 Å²	48.1	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-45.7	169.8	-61.5	-56.8	0	0	0	109.7	S209 R214 R215 V216	S209-D212 WeakPolarHBondContact CB-OD2 3.47Å; S209-D212 PolarHBondContact N-OD2 3.08Å; S209-D212 WeakPolarHBondContact O-CB 3.31Å; S209-D212 PolarHBondContact O-N 3Å; S209-D212 VanDerWaalsContact O-N 3.09Å; S209-D212 PolarHBondContact OG-N 3.39Å; S209-D212 PolarHBondContact OG-OD2 2.81Å; D212-R214 VanDerWaalsContact C-N 3.31Å; D212-R214 PolarHBondContact O-N 3.34Å; D212-R215 PolarHBondContact O-N 2.73Å; D212-R215 IonicContact OD1-CZ 3.42Å; D212-R215 IonicContact OD1-NH2 3.74Å; D212-R215 PolarHBondContact OD1-NH2 3Å; D212-V216 VanDerWaalsContact O-CG2 3.3Å; D212-V216 WeakPolarHBondContact O-CG2 3.49Å; D212-V216 PolarHBondContact O-N 3.18Å
213	L	98.8	Very high	98.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-40.2	179.5	-55.9	-178.2	0	0	0	112.4	T186 I188 L194 V204 A208 S209 D210 D211 R215 V216 A217 I225 Y260	T186-L213 HydrophobicContact CG2-CD1 3.94Å; I188-L213 HydrophobicContact CD1-CB 4.3Å; I188-L213 HydrophobicContact CG2-CD1 4.05Å; L194-L213 HydrophobicContact CD2-CB 4.39Å; V204-L213 HydrophobicContact CB-CD2 4.25Å; V204-L213 HydrophobicContact CG1-CD1 4.07Å; V204-L213 HydrophobicContact CG1-CD2 4.02Å; V204-L213 HydrophobicContact CG2-CD1 4.17Å; A208-L213 HydrophobicContact CB-CD2 4.26Å; S209-L213 WeakPolarHBondContact O-CG 3.37Å; S209-L213 PolarHBondContact O-N 3.2Å; S209-L213 VanDerWaalsContact O-N 3.14Å; D210-L213 WeakPolarHBondContact O-CB 3.48Å; D210-L213 PolarHBondContact O-N 2.94Å; D211-L213 VanDerWaalsContact C-N 3.31Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-R215 PolarHBondContact O-N 2.63Å; L213-V216 PolarHBondContact O-N 3.21Å; L213-A217 VanDerWaalsContact O-CB 3.29Å; L213-A217 WeakPolarHBondContact O-CB 3.36Å; L213-A217 PolarHBondContact O-N 3.39Å; L213-I225 HydrophobicContact CB-CD1 4.15Å; L213-I225 HydrophobicContact CD1-CD1 4.48Å; L213-I225 HydrophobicContact CD2-CD1 3.96Å; L213-I225 HydrophobicContact CG-CD1 4.4Å; L213-Y260 HydrophobicContact CD2-CD2 4.33Å; L213-Y260 HydrophobicContact CD2-CE2 3.48Å; L213-Y260 VanDerWaalsContact CD2-CE2 3.48Å
214	R	98.8	Very high	98.5	Very high	126 Å²	126	51.4 Å²	51.4	48%	0.475	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-41.1	175.1	-70.6	-179.6	-177.9	109.7	3.7	111.7	I188 L194 D210 D211 D212 A217 T218	I188-R214 HydrophobicContact CD1-CG 3.91Å; L194-R214 HydrophobicContact CD1-CG 4.2Å; D210-R214 PolarHBondContact O-N 3.33Å; D210-R214 VanDerWaalsContact O-N 3.1Å; D211-R214 PolarHBondContact O-N 3Å; D211-R214 IonicContact OD1-CZ 3.04Å; D211-R214 IonicContact OD1-NH1 3.59Å; D211-R214 PolarHBondContact OD1-NH1 3.17Å; D212-R214 VanDerWaalsContact C-N 3.31Å; D212-R214 PolarHBondContact O-N 3.34Å; R214-A217 PolarHBondContact O-N 2.93Å; R214-T218 WeakPolarHBondContact O-CG2 3.38Å; R214-T218 PolarHBondContact O-N 3.42Å
215	R	98.6	Very high	98.5	Very high	96 Å²	96	51.4 Å²	51.4	36%	0.362	24%	0.236	S	C	.	.	H	α-helix	trans	-66.8	-46.4	177.4	-69.6	-173.3	-68.9	-83.1	1.8	111.8	D211 D212 L213 A217 T218 D256	D211-R215 PolarHBondContact O-N 3.29Å; D211-R215 PolarHBondContact O-NH1 3.04Å; D212-R215 PolarHBondContact O-N 2.73Å; D212-R215 IonicContact OD1-CZ 3.42Å; D212-R215 IonicContact OD1-NH2 3.74Å; D212-R215 PolarHBondContact OD1-NH2 3Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-R215 PolarHBondContact O-N 2.63Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.35Å; R215-T218 PolarHBondContact O-N 3.2Å; R215-T218 PolarHBondContact O-OG1 3.14Å; R215-D256 HydrophobicContact CB-CB 3.82Å; R215-D256 WeakPolarHBondContact CD-OD1 3.34Å; R215-D256 WeakPolarHBondContact CD-OD2 3.27Å; R215-D256 IonicContact CZ-OD1 2.73Å; R215-D256 IonicContact NE-OD1 3.6Å; R215-D256 PolarHBondContact NE-OD1 3.5Å; R215-D256 IonicContact NE-OD2 3.51Å; R215-D256 IonicContact NH2-OD1 3.76Å
216	V	98.8	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-42.6	175.3	177.7	0	0	0	0	111.4	D212 L213 T218 F219 R220 I225 D256 D257 Y260	D212-V216 VanDerWaalsContact O-CG2 3.3Å; D212-V216 WeakPolarHBondContact O-CG2 3.49Å; D212-V216 PolarHBondContact O-N 3.18Å; L213-V216 PolarHBondContact O-N 3.21Å; V216-T218 VanDerWaalsContact C-N 3.26Å; V216-T218 PolarHBondContact O-N 2.97Å; V216-F219 PolarHBondContact O-N 3.13Å; V216-R220 HydrophobicContact CG1-CG 4.39Å; V216-R220 PolarHBondContact O-N 3.06Å; V216-I225 HydrophobicContact CB-CG2 4.17Å; V216-I225 HydrophobicContact CG1-CB 4.14Å; V216-I225 HydrophobicContact CG1-CG2 3.75Å; V216-D256 HydrophobicContact CG2-CB 4.23Å; V216-D257 HydrophobicContact CG1-CB 4.47Å; V216-D257 WeakPolarHBondContact CG1-OD1 3.47Å; V216-Y260 HydrophobicContact CG1-CD1 4.06Å; V216-Y260 HydrophobicContact CG1-CG 4.44Å; V216-Y260 HydrophobicContact CG2-CD1 4.34Å; V216-Y260 HydrophobicContact CG2-CD2 4.32Å; V216-Y260 HydrophobicContact CG2-CG 3.9Å
217	A	98.8	Very high	98.6	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-39.8	179.1	0	0	0	0	0	112.6	L194 L213 R214 R215 F219 R220 N223 I225	L194-A217 HydrophobicContact CD1-CB 3.6Å; L194-A217 HydrophobicContact CG-CB 4.28Å; L213-A217 VanDerWaalsContact O-CB 3.29Å; L213-A217 WeakPolarHBondContact O-CB 3.36Å; L213-A217 PolarHBondContact O-N 3.39Å; R214-A217 PolarHBondContact O-N 2.93Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.35Å; A217-F219 PolarHBondContact O-N 3.08Å; A217-F219 VanDerWaalsContact O-N 3.08Å; A217-R220 PolarHBondContact O-N 2.81Å; A217-N223 HydrophobicContact CB-CB 3.94Å; A217-N223 WeakPolarHBondContact O-CA 3.1Å; A217-N223 PolarHBondContact O-OD1 3.44Å; A217-I225 HydrophobicContact CB-CG2 3.68Å
218	T	98.4	Very high	98.7	Very high	96 Å²	96	36.6 Å²	36.6	59%	0.589	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.4	178.8	70.4	0	0	0	0	114.1	R214 R215 V216	R214-T218 WeakPolarHBondContact O-CG2 3.38Å; R214-T218 PolarHBondContact O-N 3.42Å; R215-T218 PolarHBondContact O-N 3.2Å; R215-T218 PolarHBondContact O-OG1 3.14Å; V216-T218 VanDerWaalsContact C-N 3.26Å; V216-T218 PolarHBondContact O-N 2.97Å
219	F	98.7	Very high	98.7	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.053	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-9.6	-178.7	-166.8	-116	0	0	0	114.2	V216 A217 P245 L246 V247 K252 N254 D257 Y301	V216-F219 PolarHBondContact O-N 3.13Å; A217-F219 PolarHBondContact O-N 3.08Å; A217-F219 VanDerWaalsContact O-N 3.08Å; F219-P245 HydrophobicContact CD1-CB 3.98Å; F219-P245 HydrophobicContact CE1-CB 3.48Å; F219-P245 VanDerWaalsContact CE1-CB 3.48Å; F219-P245 HydrophobicContact CZ-CB 4.11Å; F219-P245 CarbonylContact O-C 3.49Å; F219-P245 WeakPolarHBondContact O-CA 3.18Å; F219-L246 HydrophobicContact CD2-CB 4.25Å; F219-L246 HydrophobicContact CE2-CB 4.47Å; F219-L246 VanDerWaalsContact CE2-O 3.27Å; F219-L246 WeakPolarHBondContact CE2-O 3.31Å; F219-L246 WeakPolarHBondContact O-CB 3.39Å; F219-L246 WeakPolarHBondContact O-CG 2.99Å; F219-L246 PolarHBondContact O-N 2.84Å; F219-V247 HydrophobicContact CZ-CG2 3.95Å; F219-K252 HydrophobicContact CE2-CB 4.38Å; F219-K252 WeakPolarHBondContact CZ-O 3.36Å; F219-N254 HydrophobicContact CB-CB 3.71Å; F219-N254 HydrophobicContact CD1-CB 3.55Å; F219-N254 HydrophobicContact CD2-CB 3.67Å; F219-N254 HydrophobicContact CE1-CB 4Å; F219-N254 HydrophobicContact CE2-CB 4.12Å; F219-N254 HydrophobicContact CG-CB 3.34Å; F219-N254 HydrophobicContact CZ-CB 4.27Å; F219-D257 HydrophobicContact CD1-CB 3.84Å; F219-Y301 WeakPolarHBondContact CE1-OH 3.4Å
220	R	98.8	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-101.5	129.6	178.5	-68.3	-75.6	179.1	177.5	-7.2	108.9	V216 A217 R222 N223 C242 S243 D257 E296	V216-R220 HydrophobicContact CG1-CG 4.39Å; V216-R220 PolarHBondContact O-N 3.06Å; A217-R220 PolarHBondContact O-N 2.81Å; R220-R222 PolarHBondContact O-N 2.9Å; R220-N223 WeakPolarHBondContact O-CA 3.33Å; R220-N223 PolarHBondContact O-N 2.85Å; R220-C242 PolarHBondContact NH1-SG 3.24Å; R220-S243 PolarHBondContact NH1-O 2.91Å; R220-S243 VanDerWaalsContact NH1-O 3.1Å; R220-D257 IonicContact CZ-OD1 2.81Å; R220-D257 IonicContact CZ-OD2 3.18Å; R220-D257 IonicContact NE-OD1 2.79Å; R220-D257 PolarHBondContact NE-OD1 2.98Å; R220-D257 IonicContact NE-OD2 2.82Å; R220-D257 IonicContact NH2-OD1 3.54Å; R220-D257 PolarHBondContact NH2-OD1 3.46Å; R220-D257 IonicContact NH2-OD2 3.82Å; R220-D257 PolarHBondContact NH2-OD2 3.1Å; R220-E296 IonicContact CZ-OE1 2.65Å; R220-E296 IonicContact NH1-OE1 3.84Å; R220-E296 PolarHBondContact NH1-OE1 3.17Å; R220-E296 IonicContact NH2-OE1 3.18Å; R220-E296 PolarHBondContact NH2-OE1 2.94Å
221	S	98.8	Very high	98.7	Very high	18 Å²	18	32.1 Å²	32.1	13%	0.126	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-50.3	126.9	-179.4	-176.7	0	0	0	0	111.8	N223 R224 S243 Q244	S221-N223 PolarHBondContact O-N 3.08Å; S221-R224 PolarHBondContact O-N 3.39Å; S221-S243 PolarHBondContact N-OG 2.82Å; S221-S243 VanDerWaalsContact O-CB 3.31Å; S221-S243 WeakPolarHBondContact O-CB 3.43Å; S221-S243 PolarHBondContact O-OG 2.89Å; S221-Q244 PolarHBondContact N-O 2.82Å
222	R	98.5	Very high	98.7	Very high	125 Å²	125	29 Å²	29	47%	0.472	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	59	25.5	-177.2	-48.3	176.1	-179.1	-86	0.6	113.7	C195 R220 R224 D377 W379	C195-R222 PolarHBondContact SG-O 2.94Å; R220-R222 PolarHBondContact O-N 2.9Å; R222-R224 HydrophobicContact CB-CG 4.27Å; R222-R224 PolarHBondContact O-N 2.86Å; R222-R224 VanDerWaalsContact O-N 3.17Å; R222-D377 IonicContact CZ-OD1 3.02Å; R222-D377 IonicContact NE-OD1 3.74Å; R222-D377 PolarHBondContact NE-OD1 3.08Å; R222-D377 IonicContact NH2-OD1 3.92Å; R222-W379 VanDerWaalsContact CZ-CH2 3.44Å
223	N	98.8	Very high	98.5	Very high	68 Å²	68	31 Å²	31	36%	0.364	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	60.7	21.2	179.5	-55.1	-9.7	0	0	0	114.2	L194 C195 A217 R220 S221 I225	L194-N223 WeakPolarHBondContact O-CB 3.21Å; L194-N223 PolarHBondContact O-ND2 3.12Å; C195-N223 HydrophobicContact CB-CB 4.14Å; C195-N223 WeakPolarHBondContact CB-O 3.3Å; A217-N223 HydrophobicContact CB-CB 3.94Å; A217-N223 WeakPolarHBondContact O-CA 3.1Å; A217-N223 PolarHBondContact O-OD1 3.44Å; R220-N223 WeakPolarHBondContact O-CA 3.33Å; R220-N223 PolarHBondContact O-N 2.85Å; S221-N223 PolarHBondContact O-N 3.08Å; N223-I225 VanDerWaalsContact C-N 3.26Å; N223-I225 PolarHBondContact O-N 3.23Å
224	R	98.9	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.			trans	-81.9	75.3	-177.9	-66.3	173.9	69.8	81.8	1.9	109.9	C195 T197 Y198 S221 R222 C242 S243 D377 G378 F414	C195-R224 WeakPolarHBondContact SG-CG 3.36Å; T197-R224 VanDerWaalsContact CB-NH1 3.3Å; T197-R224 PolarHBondContact O-NH1 2.8Å; T197-R224 PolarHBondContact OG1-NH1 3.48Å; Y198-R224 HydrophobicContact CD1-CB 4.39Å; Y198-R224 HydrophobicContact CD1-CG 4.03Å; Y198-R224 HydrophobicContact CE1-CB 3.71Å; Y198-R224 HydrophobicContact CE1-CG 3.78Å; S221-R224 PolarHBondContact O-N 3.39Å; R222-R224 HydrophobicContact CB-CG 4.27Å; R222-R224 PolarHBondContact O-N 2.86Å; R222-R224 VanDerWaalsContact O-N 3.17Å; R224-C242 WeakPolarHBondContact O-CA 3.44Å; R224-C242 WeakPolarHBondContact O-CB 3.35Å; R224-S243 PolarHBondContact O-N 2.65Å; R224-S243 VanDerWaalsContact O-N 3.09Å; R224-S243 PolarHBondContact O-OG 2.9Å; R224-D377 WeakPolarHBondContact CD-O 3.26Å; R224-D377 PolarHBondContact NE-O 3.5Å; R224-G378 PolarHBondContact NH2-O 3.4Å; R224-F414 PolarHBondContact NH1-O 2.65Å; R224-F414 PolarHBondContact NH2-O 2.91Å
225	I	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.			trans	-61.9	158.4	-178	58.4	160.3	0	0	0	112.7	L194 Y198 L213 V216 A217 N223 V227	L194-I225 HydrophobicContact CD2-CD1 3.9Å; L194-I225 HydrophobicContact CD2-CG1 4.43Å; Y198-I225 HydrophobicContact CE2-CG1 4.28Å; Y198-I225 VanDerWaalsContact CE2-O 3.26Å; Y198-I225 WeakPolarHBondContact CE2-O 3.33Å; Y198-I225 PolarHBondContact OH-O 2.88Å; L213-I225 HydrophobicContact CB-CD1 4.15Å; L213-I225 HydrophobicContact CD1-CD1 4.48Å; L213-I225 HydrophobicContact CD2-CD1 3.96Å; L213-I225 HydrophobicContact CG-CD1 4.4Å; V216-I225 HydrophobicContact CB-CG2 4.17Å; V216-I225 HydrophobicContact CG1-CB 4.14Å; V216-I225 HydrophobicContact CG1-CG2 3.75Å; A217-I225 HydrophobicContact CB-CG2 3.68Å; N223-I225 VanDerWaalsContact C-N 3.26Å; N223-I225 PolarHBondContact O-N 3.23Å; I225-V227 HydrophobicContact CD1-CG1 4.08Å; I225-V227 HydrophobicContact CG1-CG1 3.89Å; I225-V227 PolarHBondContact O-N 3.31Å
226	P	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.			trans	-62.7	120	171.7	-15.9	27.6	0	0	0	112.3	R241 C242 Y260 L261 I264 L372	P226-R241 WeakPolarHBondContact CA-O 3.48Å; P226-C242 HydrophobicContact CB-CB 4.16Å; P226-C242 HydrophobicContact CG-CB 3.91Å; P226-Y260 HydrophobicContact CB-CD1 4.38Å; P226-Y260 HydrophobicContact CB-CE1 3.84Å; P226-Y260 HydrophobicContact CG-CD1 4.15Å; P226-Y260 HydrophobicContact CG-CE1 4Å; P226-Y260 VanDerWaalsContact O-CE1 3.23Å; P226-Y260 WeakPolarHBondContact O-CE1 3.48Å; P226-Y260 PolarHBondContact O-OH 3.03Å; P226-L261 HydrophobicContact CB-CD2 4.26Å; P226-L261 HydrophobicContact CG-CD2 3.77Å; P226-I264 HydrophobicContact CB-CD1 3.87Å; P226-L372 HydrophobicContact CB-CD1 3.63Å; P226-L372 HydrophobicContact CG-CD1 3.78Å
227	V	98.9	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.4	178.8	-61.7	0	0	0	0	110.9	Y198 L202 V204 I225 S229 V240 R241 F414	Y198-V227 HydrophobicContact CD2-CG1 4.49Å; Y198-V227 HydrophobicContact CD2-CG2 4.37Å; Y198-V227 HydrophobicContact CE2-CB 4.41Å; Y198-V227 HydrophobicContact CE2-CG1 3.88Å; Y198-V227 HydrophobicContact CE2-CG2 3.58Å; L202-V227 HydrophobicContact CB-CG1 4.14Å; L202-V227 HydrophobicContact CD1-CG1 4.31Å; L202-V227 HydrophobicContact CD2-CG1 4.2Å; L202-V227 HydrophobicContact CD2-CG2 4.41Å; L202-V227 HydrophobicContact CG-CG1 4.45Å; V204-V227 HydrophobicContact CG1-CG1 4.17Å; I225-V227 HydrophobicContact CD1-CG1 4.08Å; I225-V227 HydrophobicContact CG1-CG1 3.89Å; I225-V227 PolarHBondContact O-N 3.31Å; V227-S229 PolarHBondContact O-N 3.45Å; V227-V240 CarbonylContact O-C 3.44Å; V227-V240 VanDerWaalsContact O-CA 3.22Å; V227-V240 WeakPolarHBondContact O-CA 3.18Å; V227-V240 WeakPolarHBondContact O-CB 3.13Å; V227-R241 HydrophobicContact CG2-CG 4.31Å; V227-R241 PolarHBondContact N-O 3.5Å; V227-R241 VanDerWaalsContact N-O 3.08Å; V227-R241 PolarHBondContact O-N 3.48Å; V227-F414 HydrophobicContact CG2-CE1 3.48Å; V227-F414 VanDerWaalsContact CG2-CE1 3.48Å; V227-F414 HydrophobicContact CG2-CZ 3.74Å
228	L	98.9	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	129	-176.5	-175.6	153	0	0	0	111.8	Y173 L178 W183 V203 I231 V238	Y173-L228 HydrophobicContact CE1-CD2 4.41Å; L178-L228 HydrophobicContact CD1-CD1 3.98Å; L178-L228 HydrophobicContact CD1-CD2 3.53Å; L178-L228 HydrophobicContact CD1-CG 4.43Å; L178-L228 HydrophobicContact CD2-CD1 4.35Å; W183-L228 HydrophobicContact CD2-CD1 3.49Å; W183-L228 VanDerWaalsContact CD2-CD1 3.49Å; W183-L228 HydrophobicContact CE3-CB 4Å; W183-L228 HydrophobicContact CE3-CD1 3.6Å; W183-L228 HydrophobicContact CE3-CG 4.47Å; W183-L228 HydrophobicContact CG-CD1 3.99Å; W183-L228 HydrophobicContact CH2-CB 4.41Å; W183-L228 HydrophobicContact CH2-CD1 4.18Å; W183-L228 HydrophobicContact CZ2-CD1 4.1Å; W183-L228 HydrophobicContact CZ3-CB 3.82Å; W183-L228 HydrophobicContact CZ3-CD1 3.94Å; W183-L228 HydrophobicContact CZ3-CG 4.48Å; V203-L228 HydrophobicContact CB-CB 3.96Å; V203-L228 HydrophobicContact CG1-CB 3.77Å; V203-L228 HydrophobicContact CG1-CD1 3.99Å; V203-L228 HydrophobicContact CG1-CD2 4.32Å; V203-L228 HydrophobicContact CG1-CG 4.26Å; V203-L228 PolarHBondContact O-N 3.28Å; L228-I231 HydrophobicContact CD1-CB 4.24Å; L228-V238 HydrophobicContact CD1-CG1 4.14Å
229	S	98.9	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-44.4	170.4	-52.2	0	0	0	0	110.9	V227 I239 R241 K409	V227-S229 PolarHBondContact O-N 3.45Å; S229-I239 WeakPolarHBondContact CB-O 3.48Å; S229-I239 PolarHBondContact N-O 3.27Å; S229-R241 WeakPolarHBondContact OG-CD 3.45Å; S229-R241 WeakPolarHBondContact OG-CG 3.43Å; S229-K409 PolarHBondContact O-NZ 2.82Å
230	W	98.9	Very high	98	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.5	-179.1	-171.5	83.4	0	0	0	112.2	Q176 H232 V238 I239 V364 M390 L393 D394 Y397	Q176-W230 VanDerWaalsContact OE1-CA 3.29Å; W230-H232 HydrophobicContact CH2-CB 3.76Å; W230-H232 AromaticContact CH2-CD2 3.62Å; W230-H232 AromaticContact CH2-CG 3.86Å; W230-H232 HydrophobicContact CZ3-CB 3.55Å; W230-H232 AromaticContact CZ3-CD2 3.93Å; W230-H232 VanDerWaalsContact CZ3-N 3.34Å; W230-V238 CarbonylContact O-C 3.14Å; W230-V238 WeakPolarHBondContact O-CA 3.26Å; W230-I239 HydrophobicContact CB-CB 4.3Å; W230-I239 HydrophobicContact CB-CD1 4.33Å; W230-I239 HydrophobicContact CE3-CD1 4.36Å; W230-I239 HydrophobicContact CE3-CG1 4.49Å; W230-I239 PolarHBondContact N-O 2.83Å; W230-I239 PolarHBondContact O-N 3.46Å; W230-V364 HydrophobicContact CE3-CG1 4.09Å; W230-V364 HydrophobicContact CZ3-CG1 3.55Å; W230-M390 HydrophobicContact CB-CE 4.46Å; W230-M390 HydrophobicContact CB-CG 3.81Å; W230-M390 HydrophobicContact CB-SD 4.2Å; W230-M390 HydrophobicContact CG-CG 4.1Å; W230-L393 HydrophobicContact CE3-CD1 3.98Å; W230-L393 HydrophobicContact CH2-CB 3.84Å; W230-L393 HydrophobicContact CH2-CD1 4.18Å; W230-L393 HydrophobicContact CH2-CG 4.42Å; W230-L393 HydrophobicContact CZ2-CB 3.98Å; W230-L393 HydrophobicContact CZ3-CB 4.29Å; W230-L393 HydrophobicContact CZ3-CD1 3.77Å; W230-L393 HydrophobicContact CZ3-CG 4.47Å; W230-D394 HydrophobicContact CZ2-CB 4.11Å; W230-D394 PolarHBondContact NE1-OD2 3.44Å; W230-D394 VanDerWaalsContact NE1-OD2 3.08Å; W230-Y397 AromaticContact CD1-CE2 3.85Å
231	I	98.4	Very high	98	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.6	172.9	178.8	162.9	0	0	0	111	Q176 L178 L228 V238	Q176-I231 HydrophobicContact CB-CG2 3.86Å; Q176-I231 WeakPolarHBondContact O-CG2 3.43Å; L178-I231 HydrophobicContact CD1-CG2 3.82Å; L178-I231 HydrophobicContact CD2-CG2 4.39Å; L178-I231 HydrophobicContact CG-CG2 4.08Å; L228-I231 HydrophobicContact CD1-CB 4.24Å; I231-V238 HydrophobicContact CB-CG1 3.95Å; I231-V238 HydrophobicContact CD1-CG1 4.01Å; I231-V238 HydrophobicContact CG1-CG1 3.86Å
232	H	97.3	Very high	98	Very high	23 Å²	23	27 Å²	27	11%	0.106	13%	0.129	C	C	.	.			trans	-68.2	129.9	177.9	-165.9	-72.9	0	0	0	111.1	W230 E234 N235 K236 T237	W230-H232 HydrophobicContact CH2-CB 3.76Å; W230-H232 AromaticContact CH2-CD2 3.62Å; W230-H232 AromaticContact CH2-CG 3.86Å; W230-H232 HydrophobicContact CZ3-CB 3.55Å; W230-H232 AromaticContact CZ3-CD2 3.93Å; W230-H232 VanDerWaalsContact CZ3-N 3.34Å; H232-E234 VanDerWaalsContact C-N 3.29Å; H232-E234 PolarHBondContact ND1-N 2.8Å; H232-E234 VanDerWaalsContact ND1-N 3.14Å; H232-E234 PolarHBondContact O-N 3.45Å; H232-N235 WeakPolarHBondContact CB-OD1 3.43Å; H232-N235 PolarHBondContact ND1-N 3.02Å; H232-N235 PolarHBondContact ND1-OD1 3.06Å; H232-K236 WeakPolarHBondContact O-CA 3.41Å; H232-K236 PolarHBondContact O-N 3.03Å; H232-T237 WeakPolarHBondContact CB-O 3.45Å; H232-T237 PolarHBondContact N-O 3.08Å
233	P	95.1	Very high	98	Very high	70 Å²	70	21.1 Å²	21.1	46%	0.455	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.6	-173.4	23.3	-33.9	0	0	0	112.9	K236	P233-K236 WeakPolarHBondContact O-CE 3.49Å; P233-K236 PolarHBondContact O-NZ 3.07Å
234	E	93.8	Very high	98	Very high	136 Å²	136	18.3 Å²	18.3	64%	0.636	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-70.3	-176.9	-60.2	178.1	-179.7	0	0	113.1	H232 K236	H232-E234 VanDerWaalsContact C-N 3.29Å; H232-E234 PolarHBondContact ND1-N 2.8Å; H232-E234 VanDerWaalsContact ND1-N 3.14Å; H232-E234 PolarHBondContact O-N 3.45Å; E234-K236 PolarHBondContact O-N 3.42Å
235	N	94.9	Very high	98	Very high	34 Å²	34	18.3 Å²	18.3	18%	0.182	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.2	-173.6	70.7	26.8	0	0	0	114.9	H232 T237 N268 V364 S365 G367	H232-N235 WeakPolarHBondContact CB-OD1 3.43Å; H232-N235 PolarHBondContact ND1-N 3.02Å; H232-N235 PolarHBondContact ND1-OD1 3.06Å; N235-T237 PolarHBondContact O-N 3.08Å; N235-T237 VanDerWaalsContact O-N 3.14Å; N235-T237 PolarHBondContact OD1-N 3.23Å; N235-T237 PolarHBondContact OD1-OG1 3.4Å; N235-N268 PolarHBondContact O-ND2 2.76Å; N235-V364 PolarHBondContact ND2-O 3.42Å; N235-S365 PolarHBondContact ND2-O 3.47Å; N235-G367 WeakPolarHBondContact ND2-CA 3.45Å
236	K	96.4	Very high	98	Very high	99 Å²	99	21.1 Å²	21.1	43%	0.43	11%	0.106	S	C	.	.			trans	60.3	15.4	177.6	-46.5	-54.4	-178.5	-176.2	0	116	H232 P233 E234	H232-K236 WeakPolarHBondContact O-CA 3.41Å; H232-K236 PolarHBondContact O-N 3.03Å; P233-K236 WeakPolarHBondContact O-CE 3.49Å; P233-K236 PolarHBondContact O-NZ 3.07Å; E234-K236 PolarHBondContact O-N 3.42Å
237	T	97.6	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.			trans	-64.3	149.5	166.4	58	0	0	0	0	109.8	H232 N235 I271 V364	H232-T237 WeakPolarHBondContact CB-O 3.45Å; H232-T237 PolarHBondContact N-O 3.08Å; N235-T237 PolarHBondContact O-N 3.08Å; N235-T237 VanDerWaalsContact O-N 3.14Å; N235-T237 PolarHBondContact OD1-N 3.23Å; N235-T237 PolarHBondContact OD1-OG1 3.4Å; T237-I271 HydrophobicContact CG2-CD1 3.98Å; T237-V364 VanDerWaalsContact OG1-CG1 3.22Å; T237-V364 WeakPolarHBondContact OG1-CG1 3.5Å; T237-V364 PolarHBondContact OG1-O 2.9Å
238	V	98.6	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.6	-175.4	-57.9	0	0	0	0	112.5	W183 L228 W230 I231 V240 I264 S370 V371	W183-V238 HydrophobicContact CH2-CG2 4.05Å; W183-V238 HydrophobicContact CZ2-CB 4.14Å; W183-V238 HydrophobicContact CZ2-CG1 3.66Å; W183-V238 HydrophobicContact CZ2-CG2 3.67Å; L228-V238 HydrophobicContact CD1-CG1 4.14Å; W230-V238 CarbonylContact O-C 3.14Å; W230-V238 WeakPolarHBondContact O-CA 3.26Å; I231-V238 HydrophobicContact CB-CG1 3.95Å; I231-V238 HydrophobicContact CD1-CG1 4.01Å; I231-V238 HydrophobicContact CG1-CG1 3.86Å; V238-V240 HydrophobicContact CG2-CG1 3.83Å; V238-I264 HydrophobicContact CG2-CG2 4.36Å; V238-S370 PolarHBondContact N-OG 2.89Å; V238-S370 CarbonylContact O-C 3.34Å; V238-S370 WeakPolarHBondContact O-CA 3.2Å; V238-V371 PolarHBondContact O-N 3.31Å
239	I	98.9	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.4	160.5	-58.5	174.3	0	0	0	107.1	S229 W230 V360 V364 V371 V373 T386 A389 M390 L393	S229-I239 WeakPolarHBondContact CB-O 3.48Å; S229-I239 PolarHBondContact N-O 3.27Å; W230-I239 HydrophobicContact CB-CB 4.3Å; W230-I239 HydrophobicContact CB-CD1 4.33Å; W230-I239 HydrophobicContact CE3-CD1 4.36Å; W230-I239 HydrophobicContact CE3-CG1 4.49Å; W230-I239 PolarHBondContact N-O 2.83Å; W230-I239 PolarHBondContact O-N 3.46Å; I239-V360 HydrophobicContact CD1-CG1 4.01Å; I239-V360 HydrophobicContact CG1-CG1 4.24Å; I239-V360 HydrophobicContact CG2-CG1 4.5Å; I239-V364 HydrophobicContact CG1-CG2 3.82Å; I239-V371 HydrophobicContact CB-CG2 4.08Å; I239-V371 HydrophobicContact CG1-CG2 3.67Å; I239-V371 HydrophobicContact CG2-CG2 4.17Å; I239-V373 HydrophobicContact CG2-CG2 4.31Å; I239-T386 HydrophobicContact CG2-CG2 3.93Å; I239-A389 HydrophobicContact CD1-CB 4.01Å; I239-M390 HydrophobicContact CD1-CG 4.36Å; I239-L393 HydrophobicContact CD1-CD1 3.68Å
240	V	98.9	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152	170	-59.6	0	0	0	0	110.3	W183 V227 V238 I264 V371 L372 V373	W183-V240 HydrophobicContact CH2-CG1 3.82Å; W183-V240 HydrophobicContact CZ3-CG1 4.42Å; V227-V240 CarbonylContact O-C 3.44Å; V227-V240 VanDerWaalsContact O-CA 3.22Å; V227-V240 WeakPolarHBondContact O-CA 3.18Å; V227-V240 WeakPolarHBondContact O-CB 3.13Å; V238-V240 HydrophobicContact CG2-CG1 3.83Å; V240-I264 HydrophobicContact CG1-CG2 4.13Å; V240-I264 HydrophobicContact CG2-CD1 4.44Å; V240-I264 HydrophobicContact CG2-CG2 4.38Å; V240-V371 WeakPolarHBondContact CG2-O 3.44Å; V240-V371 PolarHBondContact N-O 3.32Å; V240-L372 HydrophobicContact CG2-CB 3.54Å; V240-L372 HydrophobicContact CG2-CD1 3.76Å; V240-L372 HydrophobicContact CG2-CG 3.83Å; V240-L372 WeakPolarHBondContact O-CA 3.43Å; V240-V373 PolarHBondContact O-N 2.87Å
241	R	98.9	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.7	-178.1	68.1	-177	-71.3	175.4	-5.7	112.8	Y198 P226 V227 S229 V373 G378 T382 T386 E410 F414	Y198-R241 PolarHBondContact OH-O 2.94Å; P226-R241 WeakPolarHBondContact CA-O 3.48Å; V227-R241 HydrophobicContact CG2-CG 4.31Å; V227-R241 PolarHBondContact N-O 3.5Å; V227-R241 VanDerWaalsContact N-O 3.08Å; V227-R241 PolarHBondContact O-N 3.48Å; S229-R241 WeakPolarHBondContact OG-CD 3.45Å; S229-R241 WeakPolarHBondContact OG-CG 3.43Å; R241-V373 WeakPolarHBondContact CA-O 3.38Å; R241-G378 PolarHBondContact NH2-O 3.25Å; R241-T382 HydrophobicContact CB-CG2 3.78Å; R241-T386 HydrophobicContact CB-CG2 4.04Å; R241-E410 IonicContact CZ-OE2 3.5Å; R241-E410 PolarHBondContact NH1-O 3Å; R241-E410 IonicContact NH1-OE2 2.77Å; R241-E410 PolarHBondContact NH1-OE2 3.17Å; R241-F414 HydrophobicContact CG-CD1 4.39Å; R241-F414 HydrophobicContact CG-CE1 4.04Å; R241-F414 HydrophobicContact CG-CZ 4.44Å
242	C	98.9	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.			trans	-157	-177.3	175.6	58.9	0	0	0	0	112.9	R220 R224 P226 V373 H374 G378	R220-C242 PolarHBondContact NH1-SG 3.24Å; R224-C242 WeakPolarHBondContact O-CA 3.44Å; R224-C242 WeakPolarHBondContact O-CB 3.35Å; P226-C242 HydrophobicContact CB-CB 4.16Å; P226-C242 HydrophobicContact CG-CB 3.91Å; C242-V373 PolarHBondContact N-O 3.06Å; C242-H374 WeakPolarHBondContact O-CA 3.44Å; C242-H374 WeakPolarHBondContact O-CB 3.48Å; C242-G378 VanDerWaalsContact O-CA 3.28Å; C242-G378 WeakPolarHBondContact O-CA 3.4Å
243	S	98.9	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.			trans	-87.9	174.7	160.2	63.5	0	0	0	0	112.1	R220 S221 R224	R220-S243 PolarHBondContact NH1-O 2.91Å; R220-S243 VanDerWaalsContact NH1-O 3.1Å; S221-S243 PolarHBondContact N-OG 2.82Å; S221-S243 VanDerWaalsContact O-CB 3.31Å; S221-S243 WeakPolarHBondContact O-CB 3.43Å; S221-S243 PolarHBondContact O-OG 2.89Å; R224-S243 PolarHBondContact O-N 2.65Å; R224-S243 VanDerWaalsContact O-N 3.09Å; R224-S243 PolarHBondContact O-OG 2.9Å
244	Q	98.8	Very high	97	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.047	23%	0.23	C	C	.	.			trans	-60.1	153.2	171.5	69.9	-172.3	-44.2	0	0	113.2	S221 N288 G294 C375 S376	S221-Q244 PolarHBondContact N-O 2.82Å; Q244-N288 PolarHBondContact NE2-OD1 2.85Å; Q244-N288 VanDerWaalsContact NE2-OD1 3.1Å; Q244-N288 VanDerWaalsContact OE1-CB 3.27Å; Q244-G294 PolarHBondContact OE1-O 3.21Å; Q244-C375 WeakPolarHBondContact CB-O 3.39Å; Q244-C375 PolarHBondContact N-O 2.84Å; Q244-C375 VanDerWaalsContact N-O 3.14Å; Q244-S376 VanDerWaalsContact CG-O 3.3Å; Q244-S376 WeakPolarHBondContact CG-O 3.32Å; Q244-S376 PolarHBondContact N-O 3.41Å
245	P	98.8	Very high	97.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-73.3	152	167.2	31.6	-35.4	0	0	0	112.2	F219 V247 G293 G294 E296	F219-P245 HydrophobicContact CD1-CB 3.98Å; F219-P245 HydrophobicContact CE1-CB 3.48Å; F219-P245 VanDerWaalsContact CE1-CB 3.48Å; F219-P245 HydrophobicContact CZ-CB 4.11Å; F219-P245 CarbonylContact O-C 3.49Å; F219-P245 WeakPolarHBondContact O-CA 3.18Å; P245-V247 VanDerWaalsContact C-N 3.32Å; P245-V247 HydrophobicContact CB-CG2 3.97Å; P245-V247 HydrophobicContact CG-CG2 3.9Å; P245-V247 PolarHBondContact O-N 2.79Å; P245-G293 CarbonylContact O-C 3.58Å; P245-G293 WeakPolarHBondContact O-CA 3.46Å; P245-G294 PolarHBondContact O-N 2.9Å; P245-E296 HydrophobicContact CG-CG 4.29Å
246	L	98.4	Very high	97.3	Very high	59 Å²	59	47.3 Å²	47.3	31%	0.309	24%	0.24	S	C	.	.			trans	-92.7	56.9	-178.8	-63.8	176.6	0	0	0	111.8	F219 G292	F219-L246 HydrophobicContact CD2-CB 4.25Å; F219-L246 HydrophobicContact CE2-CB 4.47Å; F219-L246 VanDerWaalsContact CE2-O 3.27Å; F219-L246 WeakPolarHBondContact CE2-O 3.31Å; F219-L246 WeakPolarHBondContact O-CB 3.39Å; F219-L246 WeakPolarHBondContact O-CG 2.99Å; F219-L246 PolarHBondContact O-N 2.84Å; L246-G292 CarbonylContact C-O 3.22Å; L246-G292 VanDerWaalsContact CA-O 3.28Å; L246-G292 WeakPolarHBondContact CA-O 3.11Å
247	V	97.7	Very high	97.5	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	22%	0.219	C	C	.	.			trans	-69	-45.5	-176	179.5	0	0	0	0	111.4	F219 P245 K252 G293	F219-V247 HydrophobicContact CZ-CG2 3.95Å; P245-V247 VanDerWaalsContact C-N 3.32Å; P245-V247 HydrophobicContact CB-CG2 3.97Å; P245-V247 HydrophobicContact CG-CG2 3.9Å; P245-V247 PolarHBondContact O-N 2.79Å; V247-K252 VanDerWaalsContact O-CB 3.29Å; V247-K252 WeakPolarHBondContact O-CB 3.47Å; V247-K252 PolarHBondContact O-N 3.31Å; V247-G293 PolarHBondContact N-O 2.99Å
248	G	96.3	Very high	97.5	Very high	9 Å²	9	43.7 Å²	43.7	9%	0.093	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-178.6	-174.9	0	0	0	0	0	114.4	S250 G251 K289 G292 G293	G248-S250 VanDerWaalsContact C-N 3.26Å; G248-S250 PolarHBondContact O-N 2.99Å; G248-G251 PolarHBondContact O-N 3.1Å; G248-K289 CarbonylContact C-O 3.59Å; G248-K289 VanDerWaalsContact CA-O 3.26Å; G248-K289 WeakPolarHBondContact CA-O 3.18Å; G248-K289 WeakPolarHBondContact O-CE 3.38Å; G248-K289 WeakPolarHBondContact O-CG 3.11Å; G248-G292 PolarHBondContact N-O 3.42Å; G248-G293 PolarHBondContact N-O 2.84Å
249	M	93.4	Very high	97.5	Very high	148 Å²	148	49.6 Å²	49.6	73%	0.729	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.8	178.5	-65.2	-164.4	-63.1	0	0	113.1	G251 K289 A290	M249-G251 PolarHBondContact O-N 3.4Å; M249-K289 PolarHBondContact N-O 3.11Å; M249-K289 VanDerWaalsContact N-O 3.15Å; M249-A290 HydrophobicContact CG-CB 4.44Å; M249-A290 HydrophobicContact SD-CB 4.34Å
250	S	92.8	Very high	97.5	Very high	106 Å²	106	49.9 Å²	49.9	74%	0.741	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-2.1	179.3	-48.5	0	0	0	0	113.9	G248 K252	G248-S250 VanDerWaalsContact C-N 3.26Å; G248-S250 PolarHBondContact O-N 2.99Å; S250-K252 VanDerWaalsContact C-N 3.35Å; S250-K252 PolarHBondContact O-N 3.15Å
251	G	93.8	Very high	97.5	Very high	38 Å²	38	50.1 Å²	50.1	39%	0.392	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	37.1	-179.9	0	0	0	0	0	112.8	G248 M249	G248-G251 PolarHBondContact O-N 3.1Å; M249-G251 PolarHBondContact O-N 3.4Å
252	K	96.1	Very high	97.4	Very high	136 Å²	136	52.7 Å²	52.7	59%	0.591	27%	0.266	S	S	*	.			trans	-59.5	141	-179.9	-65.7	-175.7	179.5	179.6	0	110.2	F219 V247 S250	F219-K252 HydrophobicContact CE2-CB 4.38Å; F219-K252 WeakPolarHBondContact CZ-O 3.36Å; V247-K252 VanDerWaalsContact O-CB 3.29Å; V247-K252 WeakPolarHBondContact O-CB 3.47Å; V247-K252 PolarHBondContact O-N 3.31Å; S250-K252 VanDerWaalsContact C-N 3.35Å; S250-K252 PolarHBondContact O-N 3.15Å
253	R	97.1	Very high	97.4	Very high	132 Å²	132	53.6 Å²	53.6	50%	0.498	27%	0.271	S	S	.	.			trans	-119.8	155.4	178.4	-74.1	179.3	62.8	166.7	2.4	109.8	E258 D299 A300	R253-E258 WeakPolarHBondContact CB-OE1 3.28Å; R253-E258 IonicContact CZ-OE1 3.45Å; R253-E258 IonicContact CZ-OE2 3.66Å; R253-E258 IonicContact NE-OE1 2.78Å; R253-E258 PolarHBondContact NE-OE1 3.39Å; R253-E258 IonicContact NE-OE2 3.75Å; R253-E258 VanDerWaalsContact NH2-CD 3.32Å; R253-E258 IonicContact NH2-OE1 3.28Å; R253-E258 PolarHBondContact NH2-OE1 2.67Å; R253-E258 IonicContact NH2-OE2 2.74Å; R253-E258 PolarHBondContact NH2-OE2 3.08Å; R253-D299 PolarHBondContact NH1-O 2.81Å; R253-A300 HydrophobicContact CG-CB 4.12Å
254	N	97.9	Very high	97.4	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.123	27%	0.271	C	S	.	.			trans	-133.7	111.2	173.5	-176	-60.4	0	0	0	108.9	F219 D256 D257 E258	F219-N254 HydrophobicContact CB-CB 3.71Å; F219-N254 HydrophobicContact CD1-CB 3.55Å; F219-N254 HydrophobicContact CD2-CB 3.67Å; F219-N254 HydrophobicContact CE1-CB 4Å; F219-N254 HydrophobicContact CE2-CB 4.12Å; F219-N254 HydrophobicContact CG-CB 3.34Å; F219-N254 HydrophobicContact CZ-CB 4.27Å; N254-D256 PolarHBondContact O-N 3.18Å; N254-D256 WeakPolarHBondContact OD1-CA 3.38Å; N254-D256 VanDerWaalsContact OD1-CB 3.3Å; N254-D256 WeakPolarHBondContact OD1-CB 3.14Å; N254-D256 PolarHBondContact OD1-N 2.84Å; N254-D257 HydrophobicContact CB-CB 4.06Å; N254-D257 PolarHBondContact O-N 2.69Å; N254-D257 PolarHBondContact OD1-N 3.44Å; N254-E258 WeakPolarHBondContact O-CG 3.47Å; N254-E258 PolarHBondContact O-N 2.71Å
255	K	97.9	Very high	97.3	Very high	177 Å²	177	54.7 Å²	54.7	77%	0.77	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-29.3	-177	-67	-175.3	179	-179.1	0	112.6	K259	K255-K259 WeakPolarHBondContact O-CB 3.49Å; K255-K259 PolarHBondContact O-N 3.11Å
256	D	98.4	Very high	97.2	Very high	45 Å²	45	58.1 Å²	58.1	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-71.8	-41	176.7	-58.6	-82.1	0	0	0	111.1	R215 V216 N254 Y260	R215-D256 HydrophobicContact CB-CB 3.82Å; R215-D256 WeakPolarHBondContact CD-OD1 3.34Å; R215-D256 WeakPolarHBondContact CD-OD2 3.27Å; R215-D256 IonicContact CZ-OD1 2.73Å; R215-D256 IonicContact NE-OD1 3.6Å; R215-D256 PolarHBondContact NE-OD1 3.5Å; R215-D256 IonicContact NE-OD2 3.51Å; R215-D256 IonicContact NH2-OD1 3.76Å; V216-D256 HydrophobicContact CG2-CB 4.23Å; N254-D256 PolarHBondContact O-N 3.18Å; N254-D256 WeakPolarHBondContact OD1-CA 3.38Å; N254-D256 VanDerWaalsContact OD1-CB 3.3Å; N254-D256 WeakPolarHBondContact OD1-CB 3.14Å; N254-D256 PolarHBondContact OD1-N 2.84Å; D256-Y260 WeakPolarHBondContact O-CB 3.34Å; D256-Y260 PolarHBondContact O-N 3.21Å
257	D	98.7	Very high	97.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-46.2	174.6	-167.9	89.2	0	0	0	111.6	V216 F219 R220 N254 K259 Y260 L261 Y301	V216-D257 HydrophobicContact CG1-CB 4.47Å; V216-D257 WeakPolarHBondContact CG1-OD1 3.47Å; F219-D257 HydrophobicContact CD1-CB 3.84Å; R220-D257 IonicContact CZ-OD1 2.81Å; R220-D257 IonicContact CZ-OD2 3.18Å; R220-D257 IonicContact NE-OD1 2.79Å; R220-D257 PolarHBondContact NE-OD1 2.98Å; R220-D257 IonicContact NE-OD2 2.82Å; R220-D257 IonicContact NH2-OD1 3.54Å; R220-D257 PolarHBondContact NH2-OD1 3.46Å; R220-D257 IonicContact NH2-OD2 3.82Å; R220-D257 PolarHBondContact NH2-OD2 3.1Å; N254-D257 HydrophobicContact CB-CB 4.06Å; N254-D257 PolarHBondContact O-N 2.69Å; N254-D257 PolarHBondContact OD1-N 3.44Å; D257-K259 PolarHBondContact O-N 3.46Å; D257-Y260 WeakPolarHBondContact O-CB 3.43Å; D257-Y260 PolarHBondContact O-N 2.92Å; D257-Y260 VanDerWaalsContact O-N 3.12Å; D257-L261 PolarHBondContact O-N 3Å; D257-Y301 WeakPolarHBondContact OD2-CE1 3.48Å; D257-Y301 PolarHBondContact OD2-OH 2.8Å
258	E	98.6	Very high	96.9	Very high	23 Å²	23	55.8 Å²	55.8	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-55.4	-51.7	174.7	-70	169.1	-154	0	0	111	R253 N254 Y260 L261 D262 Y301	R253-E258 WeakPolarHBondContact CB-OE1 3.28Å; R253-E258 IonicContact CZ-OE1 3.45Å; R253-E258 IonicContact CZ-OE2 3.66Å; R253-E258 IonicContact NE-OE1 2.78Å; R253-E258 PolarHBondContact NE-OE1 3.39Å; R253-E258 IonicContact NE-OE2 3.75Å; R253-E258 VanDerWaalsContact NH2-CD 3.32Å; R253-E258 IonicContact NH2-OE1 3.28Å; R253-E258 PolarHBondContact NH2-OE1 2.67Å; R253-E258 IonicContact NH2-OE2 2.74Å; R253-E258 PolarHBondContact NH2-OE2 3.08Å; N254-E258 WeakPolarHBondContact O-CG 3.47Å; N254-E258 PolarHBondContact O-N 2.71Å; E258-Y260 VanDerWaalsContact C-N 3.3Å; E258-Y260 PolarHBondContact O-N 3.1Å; E258-L261 PolarHBondContact O-N 3.39Å; E258-D262 PolarHBondContact O-N 2.78Å; E258-D262 VanDerWaalsContact O-N 3.15Å; E258-Y301 HydrophobicContact CB-CE1 4.35Å; E258-Y301 HydrophobicContact CG-CD1 4.14Å; E258-Y301 HydrophobicContact CG-CE1 3.81Å; E258-Y301 HydrophobicContact CG-CE2 4.47Å
259	K	98.4	Very high	96.6	Very high	124 Å²	124	63.6 Å²	63.6	54%	0.539	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-38.9	176.1	-178.6	-177.1	176	-168.5	0	111.8	K255 D257 D262 V263	K255-K259 WeakPolarHBondContact O-CB 3.49Å; K255-K259 PolarHBondContact O-N 3.11Å; D257-K259 PolarHBondContact O-N 3.46Å; K259-D262 WeakPolarHBondContact O-CB 3.12Å; K259-D262 PolarHBondContact O-N 3.5Å; K259-V263 HydrophobicContact CG-CG2 4.41Å; K259-V263 VanDerWaalsContact O-CG2 3.3Å; K259-V263 WeakPolarHBondContact O-CG2 3.41Å; K259-V263 PolarHBondContact O-N 2.93Å
260	Y	98.8	Very high	96.4	Very high	6 Å²	6	64.4 Å²	64.4	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-40.4	-178.7	-175.4	-106.3	0	0	0	111.7	V204 P205 A208 L213 V216 P226 D256 D257 E258 D262 V263 I264	V204-Y260 WeakPolarHBondContact CG1-OH 3.44Å; P205-Y260 WeakPolarHBondContact CD-OH 3.43Å; P205-Y260 HydrophobicContact CG-CE2 4.29Å; A208-Y260 HydrophobicContact CB-CD2 3.8Å; A208-Y260 HydrophobicContact CB-CE2 3.56Å; L213-Y260 HydrophobicContact CD2-CD2 4.33Å; L213-Y260 HydrophobicContact CD2-CE2 3.48Å; L213-Y260 VanDerWaalsContact CD2-CE2 3.48Å; V216-Y260 HydrophobicContact CG1-CD1 4.06Å; V216-Y260 HydrophobicContact CG1-CG 4.44Å; V216-Y260 HydrophobicContact CG2-CD1 4.34Å; V216-Y260 HydrophobicContact CG2-CD2 4.32Å; V216-Y260 HydrophobicContact CG2-CG 3.9Å; P226-Y260 HydrophobicContact CB-CD1 4.38Å; P226-Y260 HydrophobicContact CB-CE1 3.84Å; P226-Y260 HydrophobicContact CG-CD1 4.15Å; P226-Y260 HydrophobicContact CG-CE1 4Å; P226-Y260 VanDerWaalsContact O-CE1 3.23Å; P226-Y260 WeakPolarHBondContact O-CE1 3.48Å; P226-Y260 PolarHBondContact O-OH 3.03Å; D256-Y260 WeakPolarHBondContact O-CB 3.34Å; D256-Y260 PolarHBondContact O-N 3.21Å; D257-Y260 WeakPolarHBondContact O-CB 3.43Å; D257-Y260 PolarHBondContact O-N 2.92Å; D257-Y260 VanDerWaalsContact O-N 3.12Å; E258-Y260 VanDerWaalsContact C-N 3.3Å; E258-Y260 PolarHBondContact O-N 3.1Å; Y260-D262 VanDerWaalsContact C-N 3.34Å; Y260-V263 PolarHBondContact O-N 2.73Å; Y260-I264 HydrophobicContact CD1-CD1 3.95Å; Y260-I264 HydrophobicContact CE1-CD1 3.67Å; Y260-I264 HydrophobicContact CE1-CG1 4.45Å; Y260-I264 WeakPolarHBondContact O-CG1 3.29Å; Y260-I264 PolarHBondContact O-N 3.42Å
261	L	98.6	Very high	96.4	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-37.7	173.2	-63.8	-157.4	0	0	0	112.3	P226 D257 E258 I264 R265 L274 I276 E296 Y301 L372	P226-L261 HydrophobicContact CB-CD2 4.26Å; P226-L261 HydrophobicContact CG-CD2 3.77Å; D257-L261 PolarHBondContact O-N 3Å; E258-L261 PolarHBondContact O-N 3.39Å; L261-I264 HydrophobicContact CD2-CD1 4.11Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 3.06Å; L261-R265 PolarHBondContact O-N 3.5Å; L261-L274 HydrophobicContact CB-CD2 4.03Å; L261-L274 HydrophobicContact CD1-CD2 4.27Å; L261-L274 HydrophobicContact CD2-CD2 4.43Å; L261-L274 HydrophobicContact CG-CD2 4.48Å; L261-I276 HydrophobicContact CD1-CD1 4.03Å; L261-E296 HydrophobicContact CD1-CG 4.32Å; L261-Y301 HydrophobicContact CD1-CD1 3.67Å; L261-Y301 HydrophobicContact CD1-CE1 3.67Å; L261-Y301 HydrophobicContact CG-CD1 4.34Å; L261-Y301 HydrophobicContact CG-CE1 4.18Å; L261-L372 HydrophobicContact CD1-CD1 4.33Å; L261-L372 HydrophobicContact CD2-CD1 3.46Å; L261-L372 VanDerWaalsContact CD2-CD1 3.46Å
262	D	97.6	Very high	96.3	Very high	53 Å²	53	62.2 Å²	62.2	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-41.2	172.3	-94.8	-36.5	0	0	0	112.3	E258 K259 Y260 I264 R265 E266 N303	E258-D262 PolarHBondContact O-N 2.78Å; E258-D262 VanDerWaalsContact O-N 3.15Å; K259-D262 WeakPolarHBondContact O-CB 3.12Å; K259-D262 PolarHBondContact O-N 3.5Å; Y260-D262 VanDerWaalsContact C-N 3.34Å; D262-I264 VanDerWaalsContact C-N 3.3Å; D262-I264 PolarHBondContact O-N 3.05Å; D262-R265 WeakPolarHBondContact O-CB 3.4Å; D262-R265 PolarHBondContact O-N 3.27Å; D262-R265 IonicContact OD1-CZ 3.91Å; D262-R265 IonicContact OD1-NE 3.24Å; D262-R265 PolarHBondContact OD1-NE 3.33Å; D262-R265 IonicContact OD1-NH2 2.79Å; D262-E266 WeakPolarHBondContact O-CB 2.81Å; D262-E266 VanDerWaalsContact O-CG 3.3Å; D262-E266 WeakPolarHBondContact O-CG 3.38Å; D262-E266 PolarHBondContact O-N 2.93Å; D262-N303 VanDerWaalsContact OD1-CB 3.29Å; D262-N303 WeakPolarHBondContact OD1-CB 3.23Å; D262-N303 PolarHBondContact OD1-ND2 3.13Å; D262-N303 PolarHBondContact OD2-ND2 2.91Å
263	V	98.2	Very high	96.3	Very high	19 Å²	19	60.1 Å²	60.1	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-38.4	175.3	170.9	0	0	0	0	111.1	P205 R207 K259 Y260 E266 T267	P205-V263 HydrophobicContact CB-CG1 3.49Å; P205-V263 VanDerWaalsContact CB-CG1 3.49Å; P205-V263 HydrophobicContact CG-CG1 4.04Å; R207-V263 HydrophobicContact CB-CG1 3.96Å; K259-V263 HydrophobicContact CG-CG2 4.41Å; K259-V263 VanDerWaalsContact O-CG2 3.3Å; K259-V263 WeakPolarHBondContact O-CG2 3.41Å; K259-V263 PolarHBondContact O-N 2.93Å; Y260-V263 PolarHBondContact O-N 2.73Å; V263-E266 PolarHBondContact O-N 3.26Å; V263-T267 WeakPolarHBondContact O-CG2 3.32Å; V263-T267 PolarHBondContact O-N 3.2Å
264	I	98.5	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-49.3	173	-70.2	168.2	0	0	0	110.3	W183 P205 P226 V238 V240 Y260 L261 D262 E266 T267 L274	W183-I264 HydrophobicContact CH2-CG1 4.29Å; W183-I264 HydrophobicContact CH2-CG2 4.13Å; P205-I264 HydrophobicContact CG-CB 4.49Å; P205-I264 HydrophobicContact CG-CG1 3.53Å; P226-I264 HydrophobicContact CB-CD1 3.87Å; V238-I264 HydrophobicContact CG2-CG2 4.36Å; V240-I264 HydrophobicContact CG1-CG2 4.13Å; V240-I264 HydrophobicContact CG2-CD1 4.44Å; V240-I264 HydrophobicContact CG2-CG2 4.38Å; Y260-I264 HydrophobicContact CD1-CD1 3.95Å; Y260-I264 HydrophobicContact CE1-CD1 3.67Å; Y260-I264 HydrophobicContact CE1-CG1 4.45Å; Y260-I264 WeakPolarHBondContact O-CG1 3.29Å; Y260-I264 PolarHBondContact O-N 3.42Å; L261-I264 HydrophobicContact CD2-CD1 4.11Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 3.06Å; D262-I264 VanDerWaalsContact C-N 3.3Å; D262-I264 PolarHBondContact O-N 3.05Å; I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 2.91Å; I264-T267 WeakPolarHBondContact O-CB 3.43Å; I264-T267 WeakPolarHBondContact O-CG2 3.42Å; I264-T267 PolarHBondContact O-N 3.2Å; I264-T267 VanDerWaalsContact O-N 3.15Å; I264-T267 PolarHBondContact O-OG1 3.29Å; I264-L274 HydrophobicContact CG2-CD1 4.09Å
265	R	97.6	Very high	96.4	Very high	34 Å²	34	52.9 Å²	52.9	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-44.9	176.9	-175.7	-170.4	61	71.3	3.4	111.3	L261 D262 T267 N268 I271 S272 L274	L261-R265 PolarHBondContact O-N 3.5Å; D262-R265 WeakPolarHBondContact O-CB 3.4Å; D262-R265 PolarHBondContact O-N 3.27Å; D262-R265 IonicContact OD1-CZ 3.91Å; D262-R265 IonicContact OD1-NE 3.24Å; D262-R265 PolarHBondContact OD1-NE 3.33Å; D262-R265 IonicContact OD1-NH2 2.79Å; R265-T267 PolarHBondContact O-N 3.26Å; R265-N268 PolarHBondContact O-N 3.05Å; R265-N268 VanDerWaalsContact O-O 3.12Å; R265-I271 HydrophobicContact CG-CG2 4.09Å; R265-I271 PolarHBondContact NH1-O 3.41Å; R265-I271 VanDerWaalsContact NH1-O 3.14Å; R265-S272 WeakPolarHBondContact CD-O 3.27Å; R265-L274 HydrophobicContact CB-CB 4.26Å; R265-L274 HydrophobicContact CG-CB 4.44Å
266	E	96.8	Very high	96.4	Very high	71 Å²	71	44.5 Å²	44.5	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-70.5	-10.5	-178.6	-73	-179.3	180	0	0	115.1	R207 D262 V263 I264 N268	R207-E266 IonicContact NH1-OE2 2.9Å; R207-E266 PolarHBondContact NH1-OE2 3.2Å; D262-E266 WeakPolarHBondContact O-CB 2.81Å; D262-E266 VanDerWaalsContact O-CG 3.3Å; D262-E266 WeakPolarHBondContact O-CG 3.38Å; D262-E266 PolarHBondContact O-N 2.93Å; V263-E266 PolarHBondContact O-N 3.26Å; I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 2.91Å; E266-N268 PolarHBondContact O-N 3.49Å; E266-N268 VanDerWaalsContact O-N 3.16Å
267	T	96.8	Very high	96.5	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.049	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	170.5	64.5	0	0	0	0	112.3	H182 W183 P205 V263 I264 R265	H182-T267 HydrophobicContact CB-CG2 4.25Å; H182-T267 PolarHBondContact CE1-O 2.84Å; H182-T267 PolarHBondContact ND1-O 2.91Å; W183-T267 HydrophobicContact CH2-CG2 4.49Å; W183-T267 HydrophobicContact CZ2-CG2 3.75Å; W183-T267 WeakPolarHBondContact CZ2-OG1 3.47Å; P205-T267 HydrophobicContact CB-CG2 4.16Å; P205-T267 HydrophobicContact CG-CG2 4.44Å; V263-T267 WeakPolarHBondContact O-CG2 3.32Å; V263-T267 PolarHBondContact O-N 3.2Å; I264-T267 WeakPolarHBondContact O-CB 3.43Å; I264-T267 WeakPolarHBondContact O-CG2 3.42Å; I264-T267 PolarHBondContact O-N 3.2Å; I264-T267 VanDerWaalsContact O-N 3.15Å; I264-T267 PolarHBondContact O-OG1 3.29Å; R265-T267 PolarHBondContact O-N 3.26Å
268	N	94.1	Very high	96.5	Very high	14 Å²	14	42.9 Å²	42.9	8%	0.075	21%	0.207	C	C	.	.	S	Bend	trans	-129.5	103.3	166.2	-177.3	-9.5	0	0	0	109.9	N235 R265 E266 Q270 I271	N235-N268 PolarHBondContact O-ND2 2.76Å; R265-N268 PolarHBondContact O-N 3.05Å; R265-N268 VanDerWaalsContact O-O 3.12Å; E266-N268 PolarHBondContact O-N 3.49Å; E266-N268 VanDerWaalsContact O-N 3.16Å; N268-Q270 PolarHBondContact O-N 3.16Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.36Å; N268-Q270 PolarHBondContact OD1-N 3.45Å; N268-Q270 VanDerWaalsContact OD1-N 3.09Å; N268-I271 HydrophobicContact CB-CD1 3.57Å; N268-I271 HydrophobicContact CB-CG1 3.91Å; N268-I271 WeakPolarHBondContact O-CB 3.45Å; N268-I271 PolarHBondContact O-N 2.98Å
269	K	89.3	Confident	96.5	Very high	173 Å²	173	41.8 Å²	41.8	75%	0.752	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.5	-176.8	-63.3	-176.5	-178.5	178	0	114.6
270	Q	89.8	Confident	96.5	Very high	165 Å²	165	36 Å²	36	77%	0.771	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	175.5	-60.6	179.7	-23.6	0	0	112.2	N268	N268-Q270 PolarHBondContact O-N 3.16Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.36Å; N268-Q270 PolarHBondContact OD1-N 3.45Å; N268-Q270 VanDerWaalsContact OD1-N 3.09Å
271	I	91.3	Very high	96.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.178	C	C	.	.			trans	-94.2	117	-174.9	-56.6	179.1	0	0	0	110.5	T237 R265 N268 K273 S370	T237-I271 HydrophobicContact CG2-CD1 3.98Å; R265-I271 HydrophobicContact CG-CG2 4.09Å; R265-I271 PolarHBondContact NH1-O 3.41Å; R265-I271 VanDerWaalsContact NH1-O 3.14Å; N268-I271 HydrophobicContact CB-CD1 3.57Å; N268-I271 HydrophobicContact CB-CG1 3.91Å; N268-I271 WeakPolarHBondContact O-CB 3.45Å; N268-I271 PolarHBondContact O-N 2.98Å; I271-K273 WeakPolarHBondContact CG2-O 3.29Å; I271-S370 VanDerWaalsContact CD1-OG 3.23Å; I271-S370 WeakPolarHBondContact CD1-OG 3.43Å
272	S	92.3	Very high	96.5	Very high	95 Å²	95	38.2 Å²	38.2	66%	0.664	19%	0.194	S	C	*	.	S	Bend	trans	-79.5	-36.6	178.1	58	0	0	0	0	113.2	R265	R265-S272 WeakPolarHBondContact CD-O 3.27Å
273	K	96.1	Very high	96.5	Very high	93 Å²	93	40.8 Å²	40.8	40%	0.404	21%	0.211	S	C	.	.	S	Bend	trans	-135.2	144	178.7	-68.9	-167	173.6	-163.1	0	112.2	I271 N303 S369	I271-K273 WeakPolarHBondContact CG2-O 3.29Å; K273-N303 CarbonylContact C-O 3.6Å; K273-N303 WeakPolarHBondContact CA-O 3.37Å; K273-S369 PolarHBondContact O-OG 3.23Å
274	L	98.1	Very high	96.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.5	169	-175.6	73.5	0	0	0	109.9	L261 I264 R265 N303 A304 E305 S370 L372	L261-L274 HydrophobicContact CB-CD2 4.03Å; L261-L274 HydrophobicContact CD1-CD2 4.27Å; L261-L274 HydrophobicContact CD2-CD2 4.43Å; L261-L274 HydrophobicContact CG-CD2 4.48Å; I264-L274 HydrophobicContact CG2-CD1 4.09Å; R265-L274 HydrophobicContact CB-CB 4.26Å; R265-L274 HydrophobicContact CG-CB 4.44Å; L274-N303 PolarHBondContact N-O 2.89Å; L274-A304 CarbonylContact O-C 3.07Å; L274-A304 WeakPolarHBondContact O-CA 3.43Å; L274-E305 PolarHBondContact O-N 2.76Å; L274-S370 VanDerWaalsContact CD1-O 3.31Å; L274-S370 WeakPolarHBondContact CD1-O 3.36Å; L274-L372 HydrophobicContact CD2-CB 4.18Å
275	T	98.6	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128	173.5	-56.2	0	0	0	0	110.4	Y277 E305 F307 K363 S369 S370 V371 L372	T275-Y277 HydrophobicContact CG2-CD2 3.99Å; T275-Y277 HydrophobicContact CG2-CE1 4.26Å; T275-Y277 HydrophobicContact CG2-CE2 3.48Å; T275-Y277 VanDerWaalsContact CG2-CE2 3.48Å; T275-E305 CarbonylContact C-O 3.53Å; T275-E305 HydrophobicContact CG2-CG 4.25Å; T275-E305 PolarHBondContact OG1-OE1 3.06Å; T275-F307 HydrophobicContact CG2-CD2 3.76Å; T275-F307 HydrophobicContact CG2-CE2 3.82Å; T275-K363 HydrophobicContact CG2-CG 4.29Å; T275-K363 WeakPolarHBondContact OG1-CD 3.41Å; T275-S369 PolarHBondContact N-OG 2.98Å; T275-S369 VanDerWaalsContact N-OG 3.16Å; T275-S369 WeakPolarHBondContact OG1-CB 3.33Å; T275-S369 PolarHBondContact OG1-OG 3.46Å; T275-S370 PolarHBondContact N-O 3.4Å; T275-V371 CarbonylContact O-C 3.51Å; T275-V371 VanDerWaalsContact O-CA 3.25Å; T275-V371 WeakPolarHBondContact O-CA 3.32Å; T275-L372 PolarHBondContact O-N 2.97Å
276	I	98.9	Very high	96.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.8	176.2	-60.2	178.3	0	0	0	108.6	L261 E296 A304 E305 L306 F307 L372	L261-I276 HydrophobicContact CD1-CD1 4.03Å; I276-E296 HydrophobicContact CD1-CB 3.71Å; I276-E296 HydrophobicContact CD1-CG 3.75Å; I276-A304 HydrophobicContact CD1-CB 3.7Å; I276-A304 HydrophobicContact CG1-CB 4.2Å; I276-E305 PolarHBondContact N-O 3.1Å; I276-L306 HydrophobicContact CB-CB 4.3Å; I276-L306 HydrophobicContact CB-CD1 4.45Å; I276-L306 HydrophobicContact CB-CG 4.35Å; I276-L306 HydrophobicContact CG2-CD1 3.85Å; I276-L306 HydrophobicContact CG2-CG 4.09Å; I276-L306 CarbonylContact O-C 3.52Å; I276-L306 WeakPolarHBondContact O-CA 3.39Å; I276-F307 PolarHBondContact O-N 3.34Å; I276-L372 CarbonylContact C-O 3.27Å; I276-L372 WeakPolarHBondContact CA-O 3.44Å; I276-L372 HydrophobicContact CB-CD2 4.42Å; I276-L372 HydrophobicContact CD1-CD2 4.5Å; I276-L372 HydrophobicContact CG1-CB 4.3Å; I276-L372 HydrophobicContact CG1-CD2 4.12Å; I276-L372 HydrophobicContact CG2-CD2 3.77Å
277	Y	98.9	Very high	96.4	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	105.4	172	-72.2	-67.2	0	0	0	109.6	T275 F307 L309 Q359 V360 K363 V371 L372 H374	T275-Y277 HydrophobicContact CG2-CD2 3.99Å; T275-Y277 HydrophobicContact CG2-CE1 4.26Å; T275-Y277 HydrophobicContact CG2-CE2 3.48Å; T275-Y277 VanDerWaalsContact CG2-CE2 3.48Å; Y277-F307 HydrophobicContact CD1-CB 3.79Å; Y277-F307 HydrophobicContact CD1-CD2 4.47Å; Y277-F307 HydrophobicContact CD1-CG 4.49Å; Y277-F307 HydrophobicContact CE1-CB 3.86Å; Y277-F307 HydrophobicContact CE1-CD2 4.04Å; Y277-F307 HydrophobicContact CE1-CG 4.14Å; Y277-L309 HydrophobicContact CD1-CD1 4.38Å; Y277-L309 HydrophobicContact CD1-CD2 3.66Å; Y277-L309 HydrophobicContact CD1-CG 4.22Å; Y277-L309 HydrophobicContact CE1-CD2 4.21Å; Y277-L309 HydrophobicContact CG-CD1 4.48Å; Y277-Q359 HydrophobicContact CE1-CB 4.04Å; Y277-Q359 PolarHBondContact OH-O 2.91Å; Y277-V360 HydrophobicContact CD2-CG2 3.7Å; Y277-V360 HydrophobicContact CE2-CG2 4.19Å; Y277-V360 HydrophobicContact CG-CG2 4.17Å; Y277-K363 HydrophobicContact CE2-CB 4.35Å; Y277-V371 HydrophobicContact CD2-CB 4.24Å; Y277-V371 HydrophobicContact CD2-CG1 4.25Å; Y277-V371 HydrophobicContact CE2-CB 4.4Å; Y277-V371 HydrophobicContact CE2-CG1 3.91Å; Y277-L372 PolarHBondContact N-O 3.02Å; Y277-H374 PolarHBondContact O-N 2.95Å
278	D	98.9	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.2	166.8	-171.8	-23.9	0	0	0	108.5	R280 F307 F308 L309 H374	D278-R280 PolarHBondContact O-N 3.21Å; D278-R280 VanDerWaalsContact OD1-CB 3.28Å; D278-R280 WeakPolarHBondContact OD1-CB 3.24Å; D278-R280 VanDerWaalsContact OD1-CG 3.23Å; D278-R280 WeakPolarHBondContact OD1-CG 3.48Å; D278-R280 IonicContact OD1-CZ 3.73Å; D278-R280 PolarHBondContact OD1-N 3.38Å; D278-R280 IonicContact OD1-NE 3.62Å; D278-R280 PolarHBondContact OD1-NE 3.14Å; D278-R280 IonicContact OD1-NH2 3.58Å; D278-R280 IonicContact OD2-CZ 3Å; D278-R280 VanDerWaalsContact OD2-CZ 3.24Å; D278-R280 IonicContact OD2-NE 3.57Å; D278-R280 PolarHBondContact OD2-NE 2.79Å; D278-R280 IonicContact OD2-NH2 3.3Å; D278-R280 PolarHBondContact OD2-NH2 3.24Å; D278-F307 PolarHBondContact N-O 3.11Å; D278-F308 HydrophobicContact CB-CD1 3.76Å; D278-F308 HydrophobicContact CB-CE1 3.87Å; D278-F308 WeakPolarHBondContact O-CA 3.17Å; D278-L309 PolarHBondContact O-N 3.09Å; D278-H374 VanDerWaalsContact CG-CE1 3.48Å; D278-H374 IonicContact OD2-CE1 3.25Å; D278-H374 PolarHBondContact OD2-CE1 3.33Å; D278-H374 VanDerWaalsContact OD2-CE1 3.29Å; D278-H374 IonicContact OD2-NE2 3.41Å
279	A	98.8	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.			trans	-61.6	-19.6	-177.2	0	0	0	0	0	113.6	I311 H374 C375 R381 L385	A279-I311 HydrophobicContact CB-CD1 4.42Å; A279-I311 WeakPolarHBondContact O-CA 3.49Å; A279-I311 WeakPolarHBondContact O-CB 3.32Å; A279-I311 PolarHBondContact O-N 2.85Å; A279-H374 PolarHBondContact N-O 3.11Å; A279-C375 HydrophobicContact CB-CB 3.82Å; A279-R381 HydrophobicContact CB-CB 3.55Å; A279-R381 HydrophobicContact CB-CG 4.38Å; A279-L385 HydrophobicContact CB-CD1 3.62Å
280	R	98.8	Very high	96.9	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	24%	0.238	C	C	.	.	S	Bend	trans	-78.2	157.7	-171.4	-61.2	175.8	-67.4	-175.4	3	111.9	D278 N284 N288 G294 F308 D310 C375 S376	D278-R280 PolarHBondContact O-N 3.21Å; D278-R280 VanDerWaalsContact OD1-CB 3.28Å; D278-R280 WeakPolarHBondContact OD1-CB 3.24Å; D278-R280 VanDerWaalsContact OD1-CG 3.23Å; D278-R280 WeakPolarHBondContact OD1-CG 3.48Å; D278-R280 IonicContact OD1-CZ 3.73Å; D278-R280 PolarHBondContact OD1-N 3.38Å; D278-R280 IonicContact OD1-NE 3.62Å; D278-R280 PolarHBondContact OD1-NE 3.14Å; D278-R280 IonicContact OD1-NH2 3.58Å; D278-R280 IonicContact OD2-CZ 3Å; D278-R280 VanDerWaalsContact OD2-CZ 3.24Å; D278-R280 IonicContact OD2-NE 3.57Å; D278-R280 PolarHBondContact OD2-NE 2.79Å; D278-R280 IonicContact OD2-NH2 3.3Å; D278-R280 PolarHBondContact OD2-NH2 3.24Å; R280-N284 HydrophobicContact CB-CB 4.32Å; R280-N288 PolarHBondContact NH1-ND2 3.49Å; R280-G294 PolarHBondContact NH2-O 2.86Å; R280-F308 WeakPolarHBondContact O-CB 3.43Å; R280-F308 WeakPolarHBondContact O-CD1 3.24Å; R280-D310 PolarHBondContact O-N 2.84Å; R280-C375 HydrophobicContact CG-CB 4.38Å; R280-S376 WeakPolarHBondContact CD-OG 3.45Å; R280-S376 PolarHBondContact NH1-OG 2.97Å
281	P	98.5	Very high	97.1	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.058	24%	0.235	C	C	.	.			trans	-59.5	143.2	154.9	-18.9	29	0	0	0	111.2	V283 N284 A285 D310 I311	P281-V283 HydrophobicContact CB-CG2 4.02Å; P281-V283 PolarHBondContact O-N 2.9Å; P281-N284 WeakPolarHBondContact O-CA 3.24Å; P281-N284 WeakPolarHBondContact O-CB 3.28Å; P281-N284 PolarHBondContact O-N 2.84Å; P281-A285 PolarHBondContact O-N 2.78Å; P281-A285 VanDerWaalsContact O-N 3.08Å; P281-D310 VanDerWaalsContact CA-OD1 3.28Å; P281-D310 WeakPolarHBondContact CA-OD1 3.48Å; P281-I311 WeakPolarHBondContact CD-O 3.32Å
282	S	98	Very high	97.3	Very high	51 Å²	51	40 Å²	40	36%	0.357	25%	0.251	S	S	.	.	H	α-helix	trans	-52.4	-43.1	179.6	176.5	0	0	0	0	112.3	N284 A285 V286	S282-N284 VanDerWaalsContact C-N 3.26Å; S282-N284 PolarHBondContact O-N 3.48Å; S282-A285 WeakPolarHBondContact O-CB 3.37Å; S282-A285 PolarHBondContact O-N 3.17Å; S282-V286 WeakPolarHBondContact O-CG2 3.22Å; S282-V286 PolarHBondContact O-N 2.99Å
283	V	97.7	Very high	97.6	Very high	106 Å²	106	35.6 Å²	35.6	64%	0.642	22%	0.221	S	C	*	.	H	α-helix	trans	-58	-36.7	176.8	-63.9	0	0	0	0	112.9	P281 A287	P281-V283 HydrophobicContact CB-CG2 4.02Å; P281-V283 PolarHBondContact O-N 2.9Å; V283-A287 WeakPolarHBondContact O-CB 2.98Å; V283-A287 PolarHBondContact O-N 2.7Å
284	N	98	Very high	97.7	Very high	40 Å²	40	31.2 Å²	31.2	21%	0.214	20%	0.202	C	C	.	.	H	α-helix	trans	-75.4	-34.8	178.3	-70.4	-3	0	0	0	111.1	R280 P281 S282 A287 N288	R280-N284 HydrophobicContact CB-CB 4.32Å; P281-N284 WeakPolarHBondContact O-CA 3.24Å; P281-N284 WeakPolarHBondContact O-CB 3.28Å; P281-N284 PolarHBondContact O-N 2.84Å; S282-N284 VanDerWaalsContact C-N 3.26Å; S282-N284 PolarHBondContact O-N 3.48Å; N284-A287 PolarHBondContact O-N 2.73Å; N284-N288 PolarHBondContact O-N 2.97Å; N284-N288 PolarHBondContact O-ND2 3.42Å
285	A	97.4	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-41.1	173.9	0	0	0	0	0	111.5	P281 S282 N288 K289 Y295 F308	P281-A285 PolarHBondContact O-N 2.78Å; P281-A285 VanDerWaalsContact O-N 3.08Å; S282-A285 WeakPolarHBondContact O-CB 3.37Å; S282-A285 PolarHBondContact O-N 3.17Å; A285-N288 PolarHBondContact O-N 3.07Å; A285-K289 PolarHBondContact O-N 3.28Å; A285-Y295 HydrophobicContact CB-CD1 3.89Å; A285-Y295 HydrophobicContact CB-CE1 4.49Å; A285-F308 HydrophobicContact CB-CD1 4.18Å; A285-F308 HydrophobicContact CB-CE1 3.34Å; A285-F308 HydrophobicContact CB-CZ 3.95Å
286	V	97.4	Very high	97.7	Very high	72 Å²	72	34.1 Å²	34.1	44%	0.436	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-43.8	172.3	174.1	0	0	0	0	111.4	S282 N288 K289 A290 Y295	S282-V286 WeakPolarHBondContact O-CG2 3.22Å; S282-V286 PolarHBondContact O-N 2.99Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 2.89Å; V286-K289 WeakPolarHBondContact O-CA 3.37Å; V286-K289 VanDerWaalsContact O-CB 3.26Å; V286-K289 WeakPolarHBondContact O-CB 3.43Å; V286-K289 PolarHBondContact O-N 3.26Å; V286-A290 PolarHBondContact O-N 2.81Å; V286-A290 VanDerWaalsContact O-N 3.17Å; V286-Y295 HydrophobicContact CG2-CE1 4.19Å
287	A	97	Very high	97.5	Very high	55 Å²	55	36.1 Å²	36.1	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-38.2	175.1	0	0	0	0	0	112.4	V283 N284 K289 A290 T291	V283-A287 WeakPolarHBondContact O-CB 2.98Å; V283-A287 PolarHBondContact O-N 2.7Å; N284-A287 PolarHBondContact O-N 2.73Å; A287-K289 VanDerWaalsContact C-N 3.34Å; A287-A290 WeakPolarHBondContact O-CB 3.05Å; A287-A290 PolarHBondContact O-N 3.13Å; A287-T291 PolarHBondContact O-N 3Å
288	N	97.4	Very high	97.2	Very high	34 Å²	34	41 Å²	41	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-32.8	173.6	-81.7	-99.7	0	0	0	112.4	Q244 R280 N284 A285 V286 A290 T291 G292 G293 S376	Q244-N288 PolarHBondContact NE2-OD1 2.85Å; Q244-N288 VanDerWaalsContact NE2-OD1 3.1Å; Q244-N288 VanDerWaalsContact OE1-CB 3.27Å; R280-N288 PolarHBondContact NH1-ND2 3.49Å; N284-N288 PolarHBondContact O-N 2.97Å; N284-N288 PolarHBondContact O-ND2 3.42Å; A285-N288 PolarHBondContact O-N 3.07Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 2.89Å; N288-A290 PolarHBondContact O-N 3.33Å; N288-T291 CarbonylContact O-C 3.57Å; N288-T291 PolarHBondContact O-N 2.52Å; N288-T291 VanDerWaalsContact O-N 3.1Å; N288-T291 PolarHBondContact O-OG1 2.83Å; N288-T291 VanDerWaalsContact O-OG1 3.14Å; N288-G292 PolarHBondContact O-N 3.35Å; N288-G293 CarbonylContact O-C 3.36Å; N288-G293 WeakPolarHBondContact O-CA 3.44Å; N288-G293 PolarHBondContact O-N 2.97Å; N288-S376 PolarHBondContact ND2-OG 3.12Å; N288-S376 PolarHBondContact OD1-OG 3.49Å; N288-S376 VanDerWaalsContact OD1-OG 3.11Å
289	K	96.8	Very high	96.9	Very high	62 Å²	62	47.1 Å²	47.1	27%	0.27	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-36.9	172.1	-168.6	178.3	179.3	178.7	0	111.3	G248 M249 A285 V286 A287 T291 G292 G293	G248-K289 CarbonylContact C-O 3.59Å; G248-K289 VanDerWaalsContact CA-O 3.26Å; G248-K289 WeakPolarHBondContact CA-O 3.18Å; G248-K289 WeakPolarHBondContact O-CE 3.38Å; G248-K289 WeakPolarHBondContact O-CG 3.11Å; M249-K289 PolarHBondContact N-O 3.11Å; M249-K289 VanDerWaalsContact N-O 3.15Å; A285-K289 PolarHBondContact O-N 3.28Å; V286-K289 WeakPolarHBondContact O-CA 3.37Å; V286-K289 VanDerWaalsContact O-CB 3.26Å; V286-K289 WeakPolarHBondContact O-CB 3.43Å; V286-K289 PolarHBondContact O-N 3.26Å; A287-K289 VanDerWaalsContact C-N 3.34Å; K289-T291 VanDerWaalsContact C-N 3.26Å; K289-T291 PolarHBondContact O-N 3.32Å; K289-G292 PolarHBondContact O-N 3.29Å; K289-G293 WeakPolarHBondContact CA-O 3.28Å
290	A	96.1	Very high	96.7	Very high	56 Å²	56	47.3 Å²	47.3	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-28.7	175.4	0	0	0	0	0	113.5	M249 V286 A287 N288	M249-A290 HydrophobicContact CG-CB 4.44Å; M249-A290 HydrophobicContact SD-CB 4.34Å; V286-A290 PolarHBondContact O-N 2.81Å; V286-A290 VanDerWaalsContact O-N 3.17Å; A287-A290 WeakPolarHBondContact O-CB 3.05Å; A287-A290 PolarHBondContact O-N 3.13Å; N288-A290 PolarHBondContact O-N 3.33Å
291	T	95.3	Very high	96.6	Very high	117 Å²	117	48 Å²	48	72%	0.718	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	14.6	-178.8	59.6	0	0	0	0	114.2	A287 N288 K289	A287-T291 PolarHBondContact O-N 3Å; N288-T291 CarbonylContact O-C 3.57Å; N288-T291 PolarHBondContact O-N 2.52Å; N288-T291 VanDerWaalsContact O-N 3.1Å; N288-T291 PolarHBondContact O-OG1 2.83Å; N288-T291 VanDerWaalsContact O-OG1 3.14Å; K289-T291 VanDerWaalsContact C-N 3.26Å; K289-T291 PolarHBondContact O-N 3.32Å
292	G	95.1	Very high	96.5	Very high	33 Å²	33	53.5 Å²	53.5	34%	0.34	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	-8.3	174.6	0	0	0	0	0	115.5	L246 G248 N288 K289	L246-G292 CarbonylContact C-O 3.22Å; L246-G292 VanDerWaalsContact CA-O 3.28Å; L246-G292 WeakPolarHBondContact CA-O 3.11Å; G248-G292 PolarHBondContact N-O 3.42Å; N288-G292 PolarHBondContact O-N 3.35Å; K289-G292 PolarHBondContact O-N 3.29Å
293	G	97.7	Very high	96.4	Very high	4 Å²	4	54 Å²	54	4%	0.041	32%	0.315	C	S	.	.			trans	-82.7	-144.3	168.9	0	0	0	0	0	112.1	P245 V247 G248 N288 K289	P245-G293 CarbonylContact O-C 3.58Å; P245-G293 WeakPolarHBondContact O-CA 3.46Å; V247-G293 PolarHBondContact N-O 2.99Å; G248-G293 PolarHBondContact N-O 2.84Å; N288-G293 CarbonylContact O-C 3.36Å; N288-G293 WeakPolarHBondContact O-CA 3.44Å; N288-G293 PolarHBondContact O-N 2.97Å; K289-G293 WeakPolarHBondContact CA-O 3.28Å
294	G	97.7	Very high	96.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.			trans	145.6	-152.9	176.2	0	0	0	0	0	113	Q244 P245 R280	Q244-G294 PolarHBondContact OE1-O 3.21Å; P245-G294 PolarHBondContact O-N 2.9Å; R280-G294 PolarHBondContact NH2-O 2.86Å
295	Y	98.5	Very high	96.4	Very high	60 Å²	60	50 Å²	50	24%	0.235	29%	0.289	C	S	.	.			trans	-151.6	161.8	-179.3	59.5	-93.7	0	0	0	109.5	A285 V286 S297 L306 F308	A285-Y295 HydrophobicContact CB-CD1 3.89Å; A285-Y295 HydrophobicContact CB-CE1 4.49Å; V286-Y295 HydrophobicContact CG2-CE1 4.19Å; Y295-S297 PolarHBondContact O-N 3.28Å; Y295-L306 HydrophobicContact CD2-CD1 4.18Å; Y295-L306 HydrophobicContact CG-CD1 4.47Å; Y295-F308 HydrophobicContact CD1-CZ 4.07Å; Y295-F308 HydrophobicContact CD2-CZ 4.19Å; Y295-F308 HydrophobicContact CE1-CZ 4.3Å; Y295-F308 HydrophobicContact CE2-CZ 4.44Å; Y295-F308 HydrophobicContact CG-CZ 4Å
296	E	98.4	Very high	96.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.019	30%	0.298	C	S	.	.			trans	-69.8	110.9	-179.7	-67.9	88.4	159.4	0	0	110.7	R220 P245 L261 I276 Y301 L306 H374	R220-E296 IonicContact CZ-OE1 2.65Å; R220-E296 IonicContact NH1-OE1 3.84Å; R220-E296 PolarHBondContact NH1-OE1 3.17Å; R220-E296 IonicContact NH2-OE1 3.18Å; R220-E296 PolarHBondContact NH2-OE1 2.94Å; P245-E296 HydrophobicContact CG-CG 4.29Å; L261-E296 HydrophobicContact CD1-CG 4.32Å; I276-E296 HydrophobicContact CD1-CB 3.71Å; I276-E296 HydrophobicContact CD1-CG 3.75Å; E296-Y301 HydrophobicContact CB-CD1 4.42Å; E296-Y301 HydrophobicContact CB-CD2 3.4Å; E296-Y301 VanDerWaalsContact CB-CD2 3.4Å; E296-Y301 HydrophobicContact CB-CE2 3.61Å; E296-Y301 HydrophobicContact CB-CG 3.85Å; E296-Y301 HydrophobicContact CG-CD1 4.14Å; E296-Y301 HydrophobicContact CG-CD2 3.79Å; E296-Y301 HydrophobicContact CG-CE1 3.89Å; E296-Y301 HydrophobicContact CG-CE2 3.56Å; E296-Y301 HydrophobicContact CG-CG 4.07Å; E296-L306 HydrophobicContact CB-CD1 4.14Å; E296-H374 IonicContact OE2-CD2 2.84Å; E296-H374 IonicContact OE2-CE1 2.89Å; E296-H374 IonicContact OE2-NE2 2.65Å; E296-H374 PolarHBondContact OE2-NE2 3.32Å; E296-H374 VanDerWaalsContact OE2-NE2 3.17Å
297	S	95.4	Very high	96.5	Very high	42 Å²	42	52.1 Å²	52.1	29%	0.294	29%	0.294	S	S	.	.			trans	-85.2	148.9	178.7	58.3	0	0	0	0	112.7	Y295 D299 A300 Y301	Y295-S297 PolarHBondContact O-N 3.28Å; S297-D299 PolarHBondContact O-N 2.8Å; S297-D299 VanDerWaalsContact O-N 3.17Å; S297-A300 PolarHBondContact O-N 3.21Å; S297-Y301 PolarHBondContact O-N 2.79Å
298	D	92.5	Very high	96.6	Very high	115 Å²	115	52.1 Å²	52.1	62%	0.615	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.5	178.5	-64.7	-19	0	0	0	113.4	A300	D298-A300 VanDerWaalsContact C-N 3.25Å; D298-A300 PolarHBondContact O-N 2.88Å
299	D	91.9	Very high	96.6	Very high	129 Å²	129	51 Å²	51	69%	0.69	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-19.7	177.7	-61.8	-34.3	0	0	0	114.3	R253 S297 H302	R253-D299 PolarHBondContact NH1-O 2.81Å; S297-D299 PolarHBondContact O-N 2.8Å; S297-D299 VanDerWaalsContact O-N 3.17Å; D299-H302 PolarHBondContact O-CE1 2.91Å; D299-H302 VanDerWaalsContact O-CE1 3.25Å; D299-H302 PolarHBondContact O-NE2 2.81Å
300	A	95.2	Very high	96.7	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-40.5	-179.3	0	0	0	0	0	111.2	R253 S297 D298	R253-A300 HydrophobicContact CG-CB 4.12Å; S297-A300 PolarHBondContact O-N 3.21Å; D298-A300 VanDerWaalsContact C-N 3.25Å; D298-A300 PolarHBondContact O-N 2.88Å
301	Y	97.5	Very high	96.9	Very high	14 Å²	14	49.1 Å²	49.1	6%	0.055	26%	0.263	C	S	.	.			trans	-114.4	67.4	-174.2	-58.2	-94.5	0	0	0	110.8	F219 D257 E258 L261 E296 S297 N303 A304	F219-Y301 WeakPolarHBondContact CE1-OH 3.4Å; D257-Y301 WeakPolarHBondContact OD2-CE1 3.48Å; D257-Y301 PolarHBondContact OD2-OH 2.8Å; E258-Y301 HydrophobicContact CB-CE1 4.35Å; E258-Y301 HydrophobicContact CG-CD1 4.14Å; E258-Y301 HydrophobicContact CG-CE1 3.81Å; E258-Y301 HydrophobicContact CG-CE2 4.47Å; L261-Y301 HydrophobicContact CD1-CD1 3.67Å; L261-Y301 HydrophobicContact CD1-CE1 3.67Å; L261-Y301 HydrophobicContact CG-CD1 4.34Å; L261-Y301 HydrophobicContact CG-CE1 4.18Å; E296-Y301 HydrophobicContact CB-CD1 4.42Å; E296-Y301 HydrophobicContact CB-CD2 3.4Å; E296-Y301 VanDerWaalsContact CB-CD2 3.4Å; E296-Y301 HydrophobicContact CB-CE2 3.61Å; E296-Y301 HydrophobicContact CB-CG 3.85Å; E296-Y301 HydrophobicContact CG-CD1 4.14Å; E296-Y301 HydrophobicContact CG-CD2 3.79Å; E296-Y301 HydrophobicContact CG-CE1 3.89Å; E296-Y301 HydrophobicContact CG-CE2 3.56Å; E296-Y301 HydrophobicContact CG-CG 4.07Å; S297-Y301 PolarHBondContact O-N 2.79Å; Y301-N303 PolarHBondContact O-N 2.68Å; Y301-N303 VanDerWaalsContact O-N 3.1Å; Y301-A304 PolarHBondContact O-N 3.46Å
302	H	95.4	Very high	97	Very high	126 Å²	126	47 Å²	47	58%	0.583	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.4	-173.7	-55.2	90.4	0	0	0	114.8	D299	D299-H302 PolarHBondContact O-CE1 2.91Å; D299-H302 VanDerWaalsContact O-CE1 3.25Å; D299-H302 PolarHBondContact O-NE2 2.81Å
303	N	96.9	Very high	97.2	Very high	60 Å²	60	48 Å²	48	32%	0.321	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	22.7	179.2	-57.7	-40.6	0	0	0	112.6	D262 K273 L274 Y301	D262-N303 VanDerWaalsContact OD1-CB 3.29Å; D262-N303 WeakPolarHBondContact OD1-CB 3.23Å; D262-N303 PolarHBondContact OD1-ND2 3.13Å; D262-N303 PolarHBondContact OD2-ND2 2.91Å; K273-N303 CarbonylContact C-O 3.6Å; K273-N303 WeakPolarHBondContact CA-O 3.37Å; L274-N303 PolarHBondContact N-O 2.89Å; Y301-N303 PolarHBondContact O-N 2.68Å; Y301-N303 VanDerWaalsContact O-N 3.1Å
304	A	97.5	Very high	97.2	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	160.7	173.3	0	0	0	0	0	111.6	L274 I276 Y301	L274-A304 CarbonylContact O-C 3.07Å; L274-A304 WeakPolarHBondContact O-CA 3.43Å; I276-A304 HydrophobicContact CD1-CB 3.7Å; I276-A304 HydrophobicContact CG1-CB 4.2Å; Y301-A304 PolarHBondContact O-N 3.46Å
305	E	97.3	Very high	97.3	Very high	54 Å²	54	52.3 Å²	52.3	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123	169.6	53.9	174.4	-154.2	0	0	108.8	L274 T275 I276 F307 K363	L274-E305 PolarHBondContact O-N 2.76Å; T275-E305 CarbonylContact C-O 3.53Å; T275-E305 HydrophobicContact CG2-CG 4.25Å; T275-E305 PolarHBondContact OG1-OE1 3.06Å; I276-E305 PolarHBondContact N-O 3.1Å; E305-F307 HydrophobicContact CB-CE2 4.05Å; E305-F307 HydrophobicContact CB-CZ 4.5Å; E305-F307 HydrophobicContact CG-CE2 3.75Å; E305-F307 HydrophobicContact CG-CZ 4.45Å; E305-K363 IonicContact OE1-NZ 3.17Å; E305-K363 PolarHBondContact OE1-NZ 3.12Å
306	L	98.4	Very high	97.3	Very high	33 Å²	33	51.8 Å²	51.8	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.6	-176.3	-173.8	146.3	0	0	0	112.2	I276 Y295 E296 F308	I276-L306 HydrophobicContact CB-CB 4.3Å; I276-L306 HydrophobicContact CB-CD1 4.45Å; I276-L306 HydrophobicContact CB-CG 4.35Å; I276-L306 HydrophobicContact CG2-CD1 3.85Å; I276-L306 HydrophobicContact CG2-CG 4.09Å; I276-L306 CarbonylContact O-C 3.52Å; I276-L306 WeakPolarHBondContact O-CA 3.39Å; Y295-L306 HydrophobicContact CD2-CD1 4.18Å; Y295-L306 HydrophobicContact CG-CD1 4.47Å; E296-L306 HydrophobicContact CB-CD1 4.14Å; L306-F308 HydrophobicContact CD2-CD1 4.27Å; L306-F308 HydrophobicContact CD2-CD2 3.93Å; L306-F308 HydrophobicContact CD2-CE1 3.84Å; L306-F308 HydrophobicContact CD2-CE2 3.49Å; L306-F308 VanDerWaalsContact CD2-CE2 3.49Å; L306-F308 HydrophobicContact CD2-CG 4.31Å; L306-F308 HydrophobicContact CD2-CZ 3.45Å; L306-F308 VanDerWaalsContact CD2-CZ 3.45Å
307	F	98.6	Very high	97.3	Very high	84 Å²	84	51.6 Å²	51.6	37%	0.368	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.1	174.9	-59.9	-85.5	0	0	0	111	T275 I276 Y277 D278 E305	T275-F307 HydrophobicContact CG2-CD2 3.76Å; T275-F307 HydrophobicContact CG2-CE2 3.82Å; I276-F307 PolarHBondContact O-N 3.34Å; Y277-F307 HydrophobicContact CD1-CB 3.79Å; Y277-F307 HydrophobicContact CD1-CD2 4.47Å; Y277-F307 HydrophobicContact CD1-CG 4.49Å; Y277-F307 HydrophobicContact CE1-CB 3.86Å; Y277-F307 HydrophobicContact CE1-CD2 4.04Å; Y277-F307 HydrophobicContact CE1-CG 4.14Å; D278-F307 PolarHBondContact N-O 3.11Å; E305-F307 HydrophobicContact CB-CE2 4.05Å; E305-F307 HydrophobicContact CB-CZ 4.5Å; E305-F307 HydrophobicContact CG-CE2 3.75Å; E305-F307 HydrophobicContact CG-CZ 4.45Å
308	F	98.8	Very high	97.4	Very high	54 Å²	54	52.7 Å²	52.7	24%	0.237	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.9	172.2	-67	-70.2	0	0	0	110.4	D278 R280 A285 Y295 L306	D278-F308 HydrophobicContact CB-CD1 3.76Å; D278-F308 HydrophobicContact CB-CE1 3.87Å; D278-F308 WeakPolarHBondContact O-CA 3.17Å; R280-F308 WeakPolarHBondContact O-CB 3.43Å; R280-F308 WeakPolarHBondContact O-CD1 3.24Å; A285-F308 HydrophobicContact CB-CD1 4.18Å; A285-F308 HydrophobicContact CB-CE1 3.34Å; A285-F308 HydrophobicContact CB-CZ 3.95Å; Y295-F308 HydrophobicContact CD1-CZ 4.07Å; Y295-F308 HydrophobicContact CD2-CZ 4.19Å; Y295-F308 HydrophobicContact CE1-CZ 4.3Å; Y295-F308 HydrophobicContact CE2-CZ 4.44Å; Y295-F308 HydrophobicContact CG-CZ 4Å; L306-F308 HydrophobicContact CD2-CD1 4.27Å; L306-F308 HydrophobicContact CD2-CD2 3.93Å; L306-F308 HydrophobicContact CD2-CE1 3.84Å; L306-F308 HydrophobicContact CD2-CE2 3.49Å; L306-F308 VanDerWaalsContact CD2-CE2 3.49Å; L306-F308 HydrophobicContact CD2-CG 4.31Å; L306-F308 HydrophobicContact CD2-CZ 3.45Å; L306-F308 VanDerWaalsContact CD2-CZ 3.45Å
309	L	98.8	Very high	97.7	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.052	25%	0.25	C	S	.	.			trans	-102.5	0.1	-176.3	-58	179.7	0	0	0	114.3	Y277 D278 I311 L385	Y277-L309 HydrophobicContact CD1-CD1 4.38Å; Y277-L309 HydrophobicContact CD1-CD2 3.66Å; Y277-L309 HydrophobicContact CD1-CG 4.22Å; Y277-L309 HydrophobicContact CE1-CD2 4.21Å; Y277-L309 HydrophobicContact CG-CD1 4.48Å; D278-L309 PolarHBondContact O-N 3.09Å; L309-I311 HydrophobicContact CB-CD1 4.27Å; L309-I311 HydrophobicContact CB-CG1 4.22Å; L309-I311 PolarHBondContact O-N 2.83Å; L309-I311 VanDerWaalsContact O-N 3.09Å; L309-L385 HydrophobicContact CD1-CD1 3.44Å; L309-L385 VanDerWaalsContact CD1-CD1 3.44Å; L309-L385 HydrophobicContact CD1-CD2 3.94Å; L309-L385 HydrophobicContact CD1-CG 4.35Å
310	D	98.6	Very high	98.1	Very high	80 Å²	80	45.1 Å²	45.1	43%	0.428	22%	0.219	S	C	.	.			trans	58.6	23.2	175.7	-59.4	-43.3	0	0	0	115.9	R280 P281 H312	R280-D310 PolarHBondContact O-N 2.84Å; P281-D310 VanDerWaalsContact CA-OD1 3.28Å; P281-D310 WeakPolarHBondContact CA-OD1 3.48Å; D310-H312 PolarHBondContact O-N 3.08Å; D310-H312 PolarHBondContact O-ND1 3.15Å
311	I	98.8	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.			trans	-82.5	111.8	176.9	-50.1	170.8	0	0	0	110.2	A279 P281 L309 M317 L352 V353 R381 L385	A279-I311 HydrophobicContact CB-CD1 4.42Å; A279-I311 WeakPolarHBondContact O-CA 3.49Å; A279-I311 WeakPolarHBondContact O-CB 3.32Å; A279-I311 PolarHBondContact O-N 2.85Å; P281-I311 WeakPolarHBondContact CD-O 3.32Å; L309-I311 HydrophobicContact CB-CD1 4.27Å; L309-I311 HydrophobicContact CB-CG1 4.22Å; L309-I311 PolarHBondContact O-N 2.83Å; L309-I311 VanDerWaalsContact O-N 3.09Å; I311-M317 HydrophobicContact CG2-CE 3.85Å; I311-L352 HydrophobicContact CG1-CB 4.29Å; I311-V353 HydrophobicContact CD1-CG2 4.2Å; I311-V353 HydrophobicContact CG2-CG2 3.89Å; I311-R381 HydrophobicContact CB-CG 4.28Å; I311-R381 HydrophobicContact CG2-CG 3.73Å; I311-R381 VanDerWaalsContact O-CD 3.26Å; I311-R381 WeakPolarHBondContact O-CD 3.43Å; I311-R381 PolarHBondContact O-NH1 2.99Å; I311-L385 HydrophobicContact CD1-CD1 4.21Å; I311-L385 HydrophobicContact CD1-CD2 3.84Å; I311-L385 HydrophobicContact CD1-CG 4.2Å
312	H	98.6	Very high	98.3	Very high	72 Å²	72	50.9 Å²	50.9	33%	0.333	24%	0.244	S	C	.	.			trans	-63	166.9	-175.8	-71	77.1	0	0	0	113.5	D310 V316 M317 R381	D310-H312 PolarHBondContact O-N 3.08Å; D310-H312 PolarHBondContact O-ND1 3.15Å; H312-V316 HydrophobicContact CB-CB 3.71Å; H312-V316 HydrophobicContact CB-CG1 3.71Å; H312-V316 HydrophobicContact CB-CG2 3.95Å; H312-M317 HydrophobicContact CB-CE 3.77Å; H312-M317 WeakPolarHBondContact O-CE 3.47Å; H312-R381 WeakPolarHBondContact O-CD 3.46Å
313	N	98.4	Very high	98.4	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	24%	0.235	S	C	.	.			trans	-78.1	175.8	-176.4	68.6	31.7	0	0	0	112.8	H315 V316 M317	N313-H315 PolarHBondContact O-N 2.95Å; N313-H315 VanDerWaalsContact O-N 3.15Å; N313-H315 WeakPolarHBondContact OD1-CB 3.48Å; N313-H315 PolarHBondContact OD1-N 2.78Å; N313-V316 PolarHBondContact O-N 3.04Å; N313-V316 PolarHBondContact OD1-N 3.44Å; N313-M317 WeakPolarHBondContact O-CG 3.46Å; N313-M317 PolarHBondContact O-N 3.3Å
314	I	98.6	Very high	98.5	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-29.5	-177.4	62.5	166.4	0	0	0	114.2	R318 S435 I437	I314-R318 PolarHBondContact O-N 3.36Å; I314-R318 VanDerWaalsContact O-N 3.09Å; I314-S435 WeakPolarHBondContact CA-OG 3.43Å; I314-S435 WeakPolarHBondContact CB-OG 3.28Å; I314-S435 WeakPolarHBondContact O-CB 3.42Å; I314-S435 PolarHBondContact O-OG 3.32Å; I314-I437 HydrophobicContact CG2-CD1 4.08Å; I314-I437 HydrophobicContact CG2-CG1 4.07Å
315	H	98.4	Very high	98.5	Very high	78 Å²	78	47.3 Å²	47.3	36%	0.361	22%	0.223	S	C	.	.	H	α-helix	trans	-74	-42	-177.7	-52.1	-49.9	0	0	0	110.9	N313 M317 R318 E319 A432	N313-H315 PolarHBondContact O-N 2.95Å; N313-H315 VanDerWaalsContact O-N 3.15Å; N313-H315 WeakPolarHBondContact OD1-CB 3.48Å; N313-H315 PolarHBondContact OD1-N 2.78Å; H315-M317 VanDerWaalsContact C-N 3.32Å; H315-M317 PolarHBondContact O-N 3.02Å; H315-R318 PolarHBondContact ND1-NH2 3.42Å; H315-R318 PolarHBondContact O-N 2.6Å; H315-E319 WeakPolarHBondContact O-CG 3.46Å; H315-E319 PolarHBondContact O-N 3.13Å; H315-A432 PolarHBondContact CE1-O 3.42Å; H315-A432 PolarHBondContact ND1-O 3.18Å; H315-A432 VanDerWaalsContact ND1-O 3.11Å
316	V	98.8	Very high	98.5	Very high	49 Å²	49	49.8 Å²	49.8	30%	0.297	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-43.5	175.3	178.3	0	0	0	0	110.6	H312 N313 R318 E319 S320	H312-V316 HydrophobicContact CB-CB 3.71Å; H312-V316 HydrophobicContact CB-CG1 3.71Å; H312-V316 HydrophobicContact CB-CG2 3.95Å; N313-V316 PolarHBondContact O-N 3.04Å; N313-V316 PolarHBondContact OD1-N 3.44Å; V316-R318 VanDerWaalsContact C-N 3.34Å; V316-R318 PolarHBondContact O-N 3.19Å; V316-E319 PolarHBondContact O-N 2.81Å; V316-S320 WeakPolarHBondContact O-CB 3.32Å; V316-S320 PolarHBondContact O-N 2.85Å
317	M	98.8	Very high	98.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-35.9	178.9	-54.7	-45.3	174	0	0	112.8	I311 H312 N313 H315 L321 H349 P436 I437 Q440	I311-M317 HydrophobicContact CG2-CE 3.85Å; H312-M317 HydrophobicContact CB-CE 3.77Å; H312-M317 WeakPolarHBondContact O-CE 3.47Å; N313-M317 WeakPolarHBondContact O-CG 3.46Å; N313-M317 PolarHBondContact O-N 3.3Å; H315-M317 VanDerWaalsContact C-N 3.32Å; H315-M317 PolarHBondContact O-N 3.02Å; M317-L321 PolarHBondContact O-N 3.19Å; M317-L321 VanDerWaalsContact O-N 3.11Å; M317-H349 HydrophobicContact CE-CB 4.23Å; M317-H349 HydrophobicContact SD-CB 3.82Å; M317-H349 VanDerWaalsContact SD-CD2 3.6Å; M317-P436 HydrophobicContact CB-CG 4.39Å; M317-I437 HydrophobicContact CB-CD1 4.25Å; M317-I437 HydrophobicContact CG-CD1 4.07Å; M317-Q440 PolarHBondContact SD-NE2 2.7Å
318	R	98.6	Very high	98.4	Very high	65 Å²	65	45.9 Å²	45.9	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-49.4	174.1	175.8	-178.4	58.1	-126.9	6.2	111.2	I314 H315 V316 S320 L321 K322 A432 R434	I314-R318 PolarHBondContact O-N 3.36Å; I314-R318 VanDerWaalsContact O-N 3.09Å; H315-R318 PolarHBondContact ND1-NH2 3.42Å; H315-R318 PolarHBondContact O-N 2.6Å; V316-R318 VanDerWaalsContact C-N 3.34Å; V316-R318 PolarHBondContact O-N 3.19Å; R318-S320 VanDerWaalsContact C-N 3.29Å; R318-S320 PolarHBondContact O-N 2.85Å; R318-L321 PolarHBondContact O-N 3.39Å; R318-K322 PolarHBondContact O-N 2.91Å; R318-A432 VanDerWaalsContact NH1-CA 3.32Å; R318-A432 PolarHBondContact NH1-O 3.01Å; R318-R434 WeakPolarHBondContact CD-O 3.46Å; R318-R434 PolarHBondContact NH1-O 2.81Å
319	E	98.8	Very high	98.2	Very high	81 Å²	81	44.5 Å²	44.5	38%	0.379	21%	0.214	S	C	.	.	H	α-helix	trans	-65.4	-35.9	-179.3	-64.2	-44.6	126.1	0	0	111.7	H315 V316 K322 K323	H315-E319 WeakPolarHBondContact O-CG 3.46Å; H315-E319 PolarHBondContact O-N 3.13Å; V316-E319 PolarHBondContact O-N 2.81Å; E319-K322 WeakPolarHBondContact O-CB 3.45Å; E319-K322 PolarHBondContact O-N 2.96Å; E319-K323 WeakPolarHBondContact O-CG 3.38Å; E319-K323 PolarHBondContact O-N 3.37Å
320	S	98.9	Very high	97.9	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-50.3	173.7	-178.5	0	0	0	0	112.1	V316 R318 K322 K323 V324 T344 W346 H349	V316-S320 WeakPolarHBondContact O-CB 3.32Å; V316-S320 PolarHBondContact O-N 2.85Å; R318-S320 VanDerWaalsContact C-N 3.29Å; R318-S320 PolarHBondContact O-N 2.85Å; S320-K322 VanDerWaalsContact C-N 3.31Å; S320-K322 PolarHBondContact O-N 3.06Å; S320-K323 WeakPolarHBondContact O-CB 3.5Å; S320-K323 PolarHBondContact O-N 3.11Å; S320-V324 PolarHBondContact O-N 3.37Å; S320-T344 WeakPolarHBondContact CA-O 3.44Å; S320-T344 WeakPolarHBondContact CB-O 3.07Å; S320-T344 PolarHBondContact OG-O 2.87Å; S320-W346 VanDerWaalsContact OG-CA 3.31Å; S320-W346 WeakPolarHBondContact OG-CA 3.49Å; S320-W346 PolarHBondContact OG-N 3.08Å; S320-H349 PolarHBondContact OG-CD2 3.25Å
321	L	98.8	Very high	97.4	Very high	22 Å²	22	47.9 Å²	47.9	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-35.9	177.6	-177.1	64.8	0	0	0	112.6	M116 M317 R318 K323 V324 K325 W346 P436 L439 Y538	M116-L321 HydrophobicContact CE-CD1 4.01Å; M116-L321 HydrophobicContact SD-CD1 3.84Å; M116-L321 HydrophobicContact SD-CG 4.32Å; M317-L321 PolarHBondContact O-N 3.19Å; M317-L321 VanDerWaalsContact O-N 3.11Å; R318-L321 PolarHBondContact O-N 3.39Å; L321-K323 VanDerWaalsContact C-N 3.33Å; L321-K323 PolarHBondContact O-N 3.37Å; L321-V324 HydrophobicContact CD1-CB 4.46Å; L321-V324 WeakPolarHBondContact O-CB 3.38Å; L321-V324 PolarHBondContact O-N 2.71Å; L321-K325 PolarHBondContact O-N 3.08Å; L321-W346 HydrophobicContact CB-CE3 4.18Å; L321-W346 HydrophobicContact CB-CH2 4.25Å; L321-W346 HydrophobicContact CB-CZ3 3.67Å; L321-W346 HydrophobicContact CD1-CE3 4.49Å; L321-W346 HydrophobicContact CD1-CH2 4.04Å; L321-W346 HydrophobicContact CD1-CZ2 4.37Å; L321-W346 HydrophobicContact CD1-CZ3 4.14Å; L321-W346 HydrophobicContact CG-CZ3 4.43Å; L321-P436 HydrophobicContact CB-CG 3.91Å; L321-P436 HydrophobicContact CD2-CB 3.49Å; L321-P436 VanDerWaalsContact CD2-CB 3.49Å; L321-P436 HydrophobicContact CD2-CG 3.72Å; L321-P436 HydrophobicContact CG-CG 4.44Å; L321-L439 HydrophobicContact CD1-CD2 4.17Å; L321-L439 HydrophobicContact CD2-CD2 3.84Å; L321-Y538 HydrophobicContact CD1-CD1 4.44Å; L321-Y538 HydrophobicContact CD1-CE1 3.92Å
322	K	98.4	Very high	97.1	Very high	117 Å²	117	49.6 Å²	49.6	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-47.8	174.4	-179.5	-174.3	170.4	-169.5	0	110.6	R318 E319 S320 V324 K325 D326	R318-K322 PolarHBondContact O-N 2.91Å; E319-K322 WeakPolarHBondContact O-CB 3.45Å; E319-K322 PolarHBondContact O-N 2.96Å; S320-K322 VanDerWaalsContact C-N 3.31Å; S320-K322 PolarHBondContact O-N 3.06Å; K322-V324 VanDerWaalsContact C-N 3.33Å; K322-V324 PolarHBondContact O-N 2.9Å; K322-K325 WeakPolarHBondContact O-CB 3.5Å; K322-K325 PolarHBondContact O-N 3.3Å; K322-K325 VanDerWaalsContact O-N 3.13Å; K322-D326 VanDerWaalsContact O-CG 3.26Å; K322-D326 PolarHBondContact O-N 3.25Å
323	K	98.7	Very high	96.8	Very high	91 Å²	91	50.4 Å²	50.4	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-38.9	175.3	-68	176.9	173.4	-175	0	112.5	E319 S320 L321 K325 D326 I327 S343 T344	E319-K323 WeakPolarHBondContact O-CG 3.38Å; E319-K323 PolarHBondContact O-N 3.37Å; S320-K323 WeakPolarHBondContact O-CB 3.5Å; S320-K323 PolarHBondContact O-N 3.11Å; L321-K323 VanDerWaalsContact C-N 3.33Å; L321-K323 PolarHBondContact O-N 3.37Å; K323-K325 VanDerWaalsContact C-N 3.34Å; K323-K325 PolarHBondContact O-N 3.42Å; K323-D326 PolarHBondContact O-N 2.85Å; K323-I327 PolarHBondContact O-N 2.99Å; K323-S343 WeakPolarHBondContact CD-O 3.26Å; K323-S343 PolarHBondContact NZ-O 3.48Å; K323-T344 HydrophobicContact CB-CG2 3.84Å
324	V	98.7	Very high	96.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-48.5	172.8	176.3	0	0	0	0	110.3	M116 S320 L321 K322 D326 I327 V328 T344 W346 L533 Y538	M116-V324 HydrophobicContact CE-CB 4.35Å; M116-V324 HydrophobicContact CE-CG1 3.89Å; S320-V324 PolarHBondContact O-N 3.37Å; L321-V324 HydrophobicContact CD1-CB 4.46Å; L321-V324 WeakPolarHBondContact O-CB 3.38Å; L321-V324 PolarHBondContact O-N 2.71Å; K322-V324 VanDerWaalsContact C-N 3.33Å; K322-V324 PolarHBondContact O-N 2.9Å; V324-D326 VanDerWaalsContact C-N 3.28Å; V324-D326 PolarHBondContact O-N 2.95Å; V324-I327 VanDerWaalsContact O-CG1 3.26Å; V324-I327 WeakPolarHBondContact O-CG1 3.16Å; V324-I327 PolarHBondContact O-N 3.24Å; V324-V328 HydrophobicContact CG1-CG1 4.17Å; V324-V328 WeakPolarHBondContact O-CG1 3.43Å; V324-V328 VanDerWaalsContact O-CG2 3.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.49Å; V324-V328 PolarHBondContact O-N 2.92Å; V324-V328 VanDerWaalsContact O-N 3.12Å; V324-T344 HydrophobicContact CG2-CG2 4.02Å; V324-W346 HydrophobicContact CG2-CB 3.43Å; V324-W346 VanDerWaalsContact CG2-CB 3.43Å; V324-W346 HydrophobicContact CG2-CD2 4.19Å; V324-W346 HydrophobicContact CG2-CG 3.72Å; V324-L533 HydrophobicContact CG1-CD1 4.35Å; V324-Y538 HydrophobicContact CG1-CD1 4.37Å; V324-Y538 HydrophobicContact CG1-CG 4.47Å
325	K	98.1	Very high	96.4	Very high	29 Å²	29	58.6 Å²	58.6	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-43.5	178.2	-174.8	176.4	176.4	174.1	0	112	T112 C113 M116 R117 N118 L321 K322 K323 I327 V328 Y329	T112-K325 VanDerWaalsContact CG2-NZ 3.33Å; C113-K325 PolarHBondContact O-NZ 3.21Å; M116-K325 VanDerWaalsContact CE-CA 3.48Å; M116-K325 HydrophobicContact CE-CB 3.63Å; M116-K325 HydrophobicContact CE-CG 4.25Å; M116-K325 HydrophobicContact SD-CB 4.39Å; R117-K325 PolarHBondContact O-NZ 3.46Å; R117-K325 VanDerWaalsContact O-NZ 3.13Å; N118-K325 WeakPolarHBondContact OD1-CE 3.41Å; N118-K325 PolarHBondContact OD1-NZ 2.93Å; L321-K325 PolarHBondContact O-N 3.08Å; K322-K325 WeakPolarHBondContact O-CB 3.5Å; K322-K325 PolarHBondContact O-N 3.3Å; K322-K325 VanDerWaalsContact O-N 3.13Å; K323-K325 VanDerWaalsContact C-N 3.34Å; K323-K325 PolarHBondContact O-N 3.42Å; K325-I327 VanDerWaalsContact C-N 3.27Å; K325-I327 PolarHBondContact O-N 3.29Å; K325-V328 PolarHBondContact O-N 3.12Å; K325-Y329 PolarHBondContact O-N 2.85Å; K325-Y329 VanDerWaalsContact O-N 3.12Å
326	D	97.3	Very high	96.3	Very high	106 Å²	106	60.5 Å²	60.5	57%	0.567	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-29.2	-177.3	-65.3	-20.2	0	0	0	112.9	K322 K323 V324	K322-D326 VanDerWaalsContact O-CG 3.26Å; K322-D326 PolarHBondContact O-N 3.25Å; K323-D326 PolarHBondContact O-N 2.85Å; V324-D326 VanDerWaalsContact C-N 3.28Å; V324-D326 PolarHBondContact O-N 2.95Å
327	I	97.3	Very high	96.2	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.169	30%	0.3	C	S	.	.	H	α-helix	trans	-93.9	-18.5	179.8	69.8	165.6	0	0	0	113.9	K323 V324 K325 W337 L341 T344	K323-I327 PolarHBondContact O-N 2.99Å; V324-I327 VanDerWaalsContact O-CG1 3.26Å; V324-I327 WeakPolarHBondContact O-CG1 3.16Å; V324-I327 PolarHBondContact O-N 3.24Å; K325-I327 VanDerWaalsContact C-N 3.27Å; K325-I327 PolarHBondContact O-N 3.29Å; I327-W337 HydrophobicContact CD1-CZ3 4.15Å; I327-W337 HydrophobicContact CG1-CZ3 4.47Å; I327-L341 HydrophobicContact CD1-CB 4.16Å; I327-L341 HydrophobicContact CD1-CD1 4.37Å; I327-T344 HydrophobicContact CD1-CG2 3.68Å; I327-T344 HydrophobicContact CG1-CG2 4.29Å
328	V	95.8	Very high	96.1	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-102.9	-19.5	-176.3	-56.6	0	0	0	0	114.7	M116 V324 K325 W337 L533 Y538 I539	M116-V328 HydrophobicContact CE-CG2 4.06Å; V324-V328 HydrophobicContact CG1-CG1 4.17Å; V324-V328 WeakPolarHBondContact O-CG1 3.43Å; V324-V328 VanDerWaalsContact O-CG2 3.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.49Å; V324-V328 PolarHBondContact O-N 2.92Å; V324-V328 VanDerWaalsContact O-N 3.12Å; K325-V328 PolarHBondContact O-N 3.12Å; V328-W337 HydrophobicContact CG1-CH2 3.93Å; V328-W337 HydrophobicContact CG1-CZ3 4.08Å; V328-L533 HydrophobicContact CG1-CD2 4.17Å; V328-Y538 WeakPolarHBondContact CG2-O 3.3Å; V328-I539 HydrophobicContact CB-CD1 4.38Å; V328-I539 HydrophobicContact CB-CG1 4.08Å; V328-I539 HydrophobicContact CG1-CD1 4.15Å; V328-I539 HydrophobicContact CG1-CG1 4.15Å
329	Y	95.1	Very high	96.1	Very high	24 Å²	24	67 Å²	67	9%	0.094	34%	0.343	C	S	.	.	S	Bend	trans	-135.8	132.9	-175.3	-167.9	-87.2	0	0	0	112.7	P54 F55 M116 R117 N118 K325 W541	P54-Y329 WeakPolarHBondContact CG-OH 3.28Å; F55-Y329 HydrophobicContact CE2-CE2 4.16Å; F55-Y329 HydrophobicContact CZ-CD2 4.38Å; F55-Y329 AromaticContact CZ-CE2 3.81Å; F55-Y329 HydrophobicContact CZ-CE2 3.81Å; M116-Y329 WeakPolarHBondContact O-CB 3.43Å; R117-Y329 HydrophobicContact CB-CD2 4.2Å; R117-Y329 HydrophobicContact CB-CE1 4.17Å; R117-Y329 HydrophobicContact CB-CE2 3.68Å; N118-Y329 HydrophobicContact CB-CE1 4.1Å; N118-Y329 PolarHBondContact O-OH 3.21Å; K325-Y329 PolarHBondContact O-N 2.85Å; K325-Y329 VanDerWaalsContact O-N 3.12Å; Y329-W541 HydrophobicContact CD2-CB 4.45Å; Y329-W541 HydrophobicContact CE2-CB 3.95Å
330	P	91.8	Very high	96.1	Very high	52 Å²	52	64.6 Å²	64.6	34%	0.338	34%	0.335	S	S	.	.	S	Bend	cis	-82.2	-29.2	1.9	29.1	-32.5	0	0	0	114.4	P54 F55	P54-P330 HydrophobicContact CB-CB 3.4Å; P54-P330 VanDerWaalsContact CB-CB 3.4Å; P54-P330 HydrophobicContact CB-CG 4.17Å; P54-P330 HydrophobicContact CG-CB 3.94Å; F55-P330 VanDerWaalsContact CE1-O 3.27Å; F55-P330 WeakPolarHBondContact CE1-O 3.17Å
331	N	90.1	Very high	96.1	Very high	110 Å²	110	65.2 Å²	65.2	59%	0.588	34%	0.338	S	S	*	.			trans	-119.2	138.8	-173.9	-62	-45.7	0	0	0	109.6
332	V	90.9	Very high	96	Very high	36 Å²	36	70.7 Å²	70.7	22%	0.218	36%	0.363	C	S	.	.			trans	-87.2	131.3	172.6	177.5	0	0	0	0	108.5	W337 I539	V332-W337 HydrophobicContact CG1-CD2 4.17Å; V332-W337 HydrophobicContact CG1-CE3 3.4Å; V332-W337 VanDerWaalsContact CG1-CE3 3.4Å; V332-W337 HydrophobicContact CG1-CZ3 3.7Å; V332-W337 HydrophobicContact CG2-CZ3 4.33Å; V332-I539 HydrophobicContact CG2-CG2 4.45Å
333	E	92.9	Very high	96	Very high	88 Å²	88	68 Å²	68	41%	0.411	36%	0.359	S	S	.	.			trans	-87.5	110.3	168.9	-158.7	-66.4	118.6	0	0	108.5	S335 H336 W337	E333-S335 WeakPolarHBondContact OE1-CB 3.39Å; E333-S335 PolarHBondContact OE1-N 3.15Å; E333-S335 PolarHBondContact OE1-OG 2.82Å; E333-S335 PolarHBondContact OE2-N 3.48Å; E333-H336 VanDerWaalsContact OE2-CB 3.29Å; E333-H336 WeakPolarHBondContact OE2-CB 3.49Å; E333-H336 IonicContact OE2-CD2 2.71Å; E333-H336 PolarHBondContact OE2-CD2 3.04Å; E333-H336 VanDerWaalsContact OE2-CD2 3.24Å; E333-H336 IonicContact OE2-CG 3.29Å; E333-H336 PolarHBondContact OE2-N 3.11Å; E333-W337 PolarHBondContact O-N 2.94Å
334	E	92.4	Very high	96	Very high	147 Å²	147	63.8 Å²	63.8	69%	0.687	34%	0.34	S	S	*	.	S	Bend	trans	-74.8	-32.1	-170.1	-62.5	-69	166	0	0	112.9	H336 W337	E334-H336 VanDerWaalsContact C-N 3.27Å; E334-H336 PolarHBondContact O-N 3.09Å; E334-W337 PolarHBondContact O-N 3.21Å
335	S	96.9	Very high	96	Very high	96 Å²	96	67.6 Å²	67.6	67%	0.671	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.2	-172.7	-41.1	0	0	0	0	112.5	E333	E333-S335 WeakPolarHBondContact OE1-CB 3.39Å; E333-S335 PolarHBondContact OE1-N 3.15Å; E333-S335 PolarHBondContact OE1-OG 2.82Å; E333-S335 PolarHBondContact OE2-N 3.48Å
336	H	96	Very high	96.1	Very high	117 Å²	117	66.2 Å²	66.2	54%	0.542	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	23.7	-179.4	-56.8	-53.5	0	0	0	112.3	E333 E334 L338 S339 S340	E333-H336 VanDerWaalsContact OE2-CB 3.29Å; E333-H336 WeakPolarHBondContact OE2-CB 3.49Å; E333-H336 IonicContact OE2-CD2 2.71Å; E333-H336 PolarHBondContact OE2-CD2 3.04Å; E333-H336 VanDerWaalsContact OE2-CD2 3.24Å; E333-H336 IonicContact OE2-CG 3.29Å; E333-H336 PolarHBondContact OE2-N 3.11Å; E334-H336 VanDerWaalsContact C-N 3.27Å; E334-H336 PolarHBondContact O-N 3.09Å; H336-L338 PolarHBondContact O-N 2.7Å; H336-S339 PolarHBondContact O-N 3.27Å; H336-S339 PolarHBondContact O-OG 2.84Å; H336-S339 VanDerWaalsContact O-OG 3.09Å; H336-S340 WeakPolarHBondContact O-CB 3.26Å; H336-S340 PolarHBondContact O-N 3.41Å; H336-S340 PolarHBondContact O-OG 2.83Å
337	W	96.4	Very high	96.1	Very high	55 Å²	55	61.8 Å²	61.8	21%	0.208	33%	0.329	C	S	.	.	H	α-helix	trans	-52.7	-52.7	-176.2	170.3	-117.7	0	0	0	113.1	I327 V328 V332 E333 E334 S340 L341 L533 I539	I327-W337 HydrophobicContact CD1-CZ3 4.15Å; I327-W337 HydrophobicContact CG1-CZ3 4.47Å; V328-W337 HydrophobicContact CG1-CH2 3.93Å; V328-W337 HydrophobicContact CG1-CZ3 4.08Å; V332-W337 HydrophobicContact CG1-CD2 4.17Å; V332-W337 HydrophobicContact CG1-CE3 3.4Å; V332-W337 VanDerWaalsContact CG1-CE3 3.4Å; V332-W337 HydrophobicContact CG1-CZ3 3.7Å; V332-W337 HydrophobicContact CG2-CZ3 4.33Å; E333-W337 PolarHBondContact O-N 2.94Å; E334-W337 PolarHBondContact O-N 3.21Å; W337-S340 PolarHBondContact O-N 2.83Å; W337-L341 HydrophobicContact CZ2-CD2 4.31Å; W337-L341 WeakPolarHBondContact O-CB 3.3Å; W337-L341 PolarHBondContact O-N 2.88Å; W337-L533 HydrophobicContact CH2-CD2 3.35Å; W337-L533 HydrophobicContact CZ2-CD2 3.51Å; W337-I539 HydrophobicContact CH2-CD1 4.01Å
338	L	97.6	Very high	96.2	Very high	136 Å²	136	64.2 Å²	64.2	71%	0.712	34%	0.339	S	S	*	.	H	α-helix	trans	-66.1	-44.6	-175.2	-63.9	177.9	0	0	0	112.5	H336 L341 E342	H336-L338 PolarHBondContact O-N 2.7Å; L338-L341 PolarHBondContact O-N 3.46Å; L338-E342 WeakPolarHBondContact O-CB 3.35Å; L338-E342 PolarHBondContact O-N 3.44Å
339	S	97.7	Very high	96.4	Very high	61 Å²	61	64.7 Å²	64.7	43%	0.427	34%	0.341	S	S	.	.	H	α-helix	trans	-69.5	-36	178.5	52.9	0	0	0	0	112	H336 E342 S343	H336-S339 PolarHBondContact O-N 3.27Å; H336-S339 PolarHBondContact O-OG 2.84Å; H336-S339 VanDerWaalsContact O-OG 3.09Å; S339-E342 PolarHBondContact O-N 2.86Å; S339-S343 PolarHBondContact O-N 3.26Å
340	S	98.3	Very high	96.6	Very high	31 Å²	31	63.6 Å²	63.6	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-46.5	174.4	-61.2	0	0	0	0	110.6	H336 W337 S343 T344	H336-S340 WeakPolarHBondContact O-CB 3.26Å; H336-S340 PolarHBondContact O-N 3.41Å; H336-S340 PolarHBondContact O-OG 2.83Å; W337-S340 PolarHBondContact O-N 2.83Å; S340-S343 PolarHBondContact O-N 3.38Å; S340-S343 PolarHBondContact O-OG 2.79Å; S340-T344 WeakPolarHBondContact O-CG2 3.42Å; S340-T344 PolarHBondContact O-N 2.87Å
341	L	98.3	Very high	96.9	Very high	17 Å²	17	64.6 Å²	64.6	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-44.3	175.3	178.8	59.5	0	0	0	111.9	I327 W337 L338 S343 T344 L347 L533	I327-L341 HydrophobicContact CD1-CB 4.16Å; I327-L341 HydrophobicContact CD1-CD1 4.37Å; W337-L341 HydrophobicContact CZ2-CD2 4.31Å; W337-L341 WeakPolarHBondContact O-CB 3.3Å; W337-L341 PolarHBondContact O-N 2.88Å; L338-L341 PolarHBondContact O-N 3.46Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.22Å; L341-T344 WeakPolarHBondContact O-CB 3.13Å; L341-T344 PolarHBondContact O-N 3.21Å; L341-T344 VanDerWaalsContact O-N 3.16Å; L341-T344 PolarHBondContact O-OG1 2.84Å; L341-L347 HydrophobicContact CD2-CD1 3.88Å; L341-L347 HydrophobicContact CG-CD1 4.37Å; L341-L533 HydrophobicContact CD1-CD1 4.07Å; L341-L533 HydrophobicContact CD1-CD2 4.32Å; L341-L533 HydrophobicContact CD2-CB 4.25Å
342	E	98.2	Very high	97.3	Very high	137 Å²	137	61.1 Å²	61.1	64%	0.64	32%	0.317	S	S	*	.	H	α-helix	trans	-57	-44.5	175.1	-176.8	176.9	-163.1	0	0	111.6	L338 S339 T344 H345	L338-E342 WeakPolarHBondContact O-CB 3.35Å; L338-E342 PolarHBondContact O-N 3.44Å; S339-E342 PolarHBondContact O-N 2.86Å; E342-T344 PolarHBondContact O-N 3.22Å; E342-H345 PolarHBondContact O-N 3.11Å
343	S	98.4	Very high	97.7	Very high	61 Å²	61	59.4 Å²	59.4	43%	0.427	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-15.8	179.8	82.7	0	0	0	0	114.9	K323 S339 S340 L341 H345	K323-S343 WeakPolarHBondContact CD-O 3.26Å; K323-S343 PolarHBondContact NZ-O 3.48Å; S339-S343 PolarHBondContact O-N 3.26Å; S340-S343 PolarHBondContact O-N 3.38Å; S340-S343 PolarHBondContact O-OG 2.79Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.22Å; S343-H345 PolarHBondContact O-CD2 3.05Å
344	T	98.7	Very high	98	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-24.1	173.5	76.7	0	0	0	0	112.5	S320 K323 V324 I327 S340 L341 E342 W346	S320-T344 WeakPolarHBondContact CA-O 3.44Å; S320-T344 WeakPolarHBondContact CB-O 3.07Å; S320-T344 PolarHBondContact OG-O 2.87Å; K323-T344 HydrophobicContact CB-CG2 3.84Å; V324-T344 HydrophobicContact CG2-CG2 4.02Å; I327-T344 HydrophobicContact CD1-CG2 3.68Å; I327-T344 HydrophobicContact CG1-CG2 4.29Å; S340-T344 WeakPolarHBondContact O-CG2 3.42Å; S340-T344 PolarHBondContact O-N 2.87Å; L341-T344 WeakPolarHBondContact O-CB 3.13Å; L341-T344 PolarHBondContact O-N 3.21Å; L341-T344 VanDerWaalsContact O-N 3.16Å; L341-T344 PolarHBondContact O-OG1 2.84Å; E342-T344 PolarHBondContact O-N 3.22Å; T344-W346 PolarHBondContact O-N 3.14Å; T344-W346 VanDerWaalsContact O-N 3.13Å; T344-W346 WeakPolarHBondContact OG1-CB 3.36Å; T344-W346 PolarHBondContact OG1-N 3.3Å; T344-W346 VanDerWaalsContact OG1-N 3.1Å
345	H	98.8	Very high	98.3	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.37	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	11	-168.9	-56.1	-81.9	0	0	0	115.1	E342 S343 L347 E348 H349	E342-H345 PolarHBondContact O-N 3.11Å; S343-H345 PolarHBondContact O-CD2 3.05Å; H345-L347 PolarHBondContact O-N 3.25Å; H345-E348 HydrophobicContact CB-CB 4.42Å; H345-E348 IonicContact CE1-OE2 3.67Å; H345-E348 IonicContact CG-OE2 2.63Å; H345-E348 IonicContact ND1-OE2 3.76Å; H345-E348 PolarHBondContact ND1-OE2 2.82Å; H345-E348 WeakPolarHBondContact O-CB 3.43Å; H345-E348 PolarHBondContact O-N 3.39Å; H345-H349 PolarHBondContact O-CD2 2.87Å; H345-H349 VanDerWaalsContact O-CD2 3.26Å; H345-H349 VanDerWaalsContact O-CG 3.32Å; H345-H349 PolarHBondContact O-N 3.32Å
346	W	98.9	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-52	-174.4	-176.9	-102.6	0	0	0	112.2	S320 L321 V324 T344 E348 H349 I350 P436 L439 Q440 D443 Y538	S320-W346 VanDerWaalsContact OG-CA 3.31Å; S320-W346 WeakPolarHBondContact OG-CA 3.49Å; S320-W346 PolarHBondContact OG-N 3.08Å; L321-W346 HydrophobicContact CB-CE3 4.18Å; L321-W346 HydrophobicContact CB-CH2 4.25Å; L321-W346 HydrophobicContact CB-CZ3 3.67Å; L321-W346 HydrophobicContact CD1-CE3 4.49Å; L321-W346 HydrophobicContact CD1-CH2 4.04Å; L321-W346 HydrophobicContact CD1-CZ2 4.37Å; L321-W346 HydrophobicContact CD1-CZ3 4.14Å; L321-W346 HydrophobicContact CG-CZ3 4.43Å; V324-W346 HydrophobicContact CG2-CB 3.43Å; V324-W346 VanDerWaalsContact CG2-CB 3.43Å; V324-W346 HydrophobicContact CG2-CD2 4.19Å; V324-W346 HydrophobicContact CG2-CG 3.72Å; T344-W346 PolarHBondContact O-N 3.14Å; T344-W346 VanDerWaalsContact O-N 3.13Å; T344-W346 WeakPolarHBondContact OG1-CB 3.36Å; T344-W346 PolarHBondContact OG1-N 3.3Å; T344-W346 VanDerWaalsContact OG1-N 3.1Å; W346-E348 PolarHBondContact O-N 3.19Å; W346-H349 PolarHBondContact O-N 2.84Å; W346-H349 VanDerWaalsContact O-N 3.09Å; W346-I350 HydrophobicContact CZ2-CD1 4.29Å; W346-I350 WeakPolarHBondContact O-CG1 3.29Å; W346-I350 PolarHBondContact O-N 3.29Å; W346-P436 HydrophobicContact CH2-CB 4.26Å; W346-P436 HydrophobicContact CH2-CG 3.98Å; W346-P436 HydrophobicContact CZ3-CG 4Å; W346-L439 HydrophobicContact CZ2-CG 4.49Å; W346-Q440 HydrophobicContact CH2-CG 3.29Å; W346-Q440 HydrophobicContact CZ2-CG 3.73Å; W346-Q440 HydrophobicContact CZ3-CG 3.9Å; W346-D443 PolarHBondContact NE1-OD2 3.13Å; W346-Y538 AromaticContact CE2-CZ 3.98Å; W346-Y538 HydrophobicContact CZ2-CE1 4.46Å; W346-Y538 WeakPolarHBondContact CZ2-OH 3.47Å; W346-Y538 AromaticContact NE1-CE2 3.91Å; W346-Y538 AromaticContact NE1-CZ 3.65Å; W346-Y538 PolarHBondContact NE1-OH 2.88Å
347	L	98.8	Very high	98.5	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-27.3	178.1	-66.5	-175.7	0	0	0	112.7	L341 H345 K351 M528 E532	L341-L347 HydrophobicContact CD2-CD1 3.88Å; L341-L347 HydrophobicContact CG-CD1 4.37Å; H345-L347 PolarHBondContact O-N 3.25Å; L347-K351 VanDerWaalsContact O-CB 3.26Å; L347-K351 WeakPolarHBondContact O-CB 3.47Å; L347-K351 PolarHBondContact O-N 3.15Å; L347-M528 HydrophobicContact CB-CE 3.66Å; L347-M528 HydrophobicContact CB-SD 4.17Å; L347-E532 WeakPolarHBondContact CD2-O 3.31Å
348	E	98.8	Very high	98.6	Very high	84 Å²	84	39.2 Å²	39.2	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-40.9	171.8	-178.1	176.7	-166.3	0	0	111.1	H345 W346 K351 L352	H345-E348 HydrophobicContact CB-CB 4.42Å; H345-E348 IonicContact CE1-OE2 3.67Å; H345-E348 IonicContact CG-OE2 2.63Å; H345-E348 IonicContact ND1-OE2 3.76Å; H345-E348 PolarHBondContact ND1-OE2 2.82Å; H345-E348 WeakPolarHBondContact O-CB 3.43Å; H345-E348 PolarHBondContact O-N 3.39Å; W346-E348 PolarHBondContact O-N 3.19Å; E348-K351 WeakPolarHBondContact O-CB 3.37Å; E348-K351 PolarHBondContact O-N 3.07Å; E348-L352 WeakPolarHBondContact O-CG 3.4Å; E348-L352 PolarHBondContact O-N 3.48Å
349	H	98.9	Very high	98.7	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-41.8	174.9	-61.5	-31.2	0	0	0	112.4	M317 S320 H345 W346 K351 L352 V353	M317-H349 HydrophobicContact CE-CB 4.23Å; M317-H349 HydrophobicContact SD-CB 3.82Å; M317-H349 VanDerWaalsContact SD-CD2 3.6Å; S320-H349 PolarHBondContact OG-CD2 3.25Å; H345-H349 PolarHBondContact O-CD2 2.87Å; H345-H349 VanDerWaalsContact O-CD2 3.26Å; H345-H349 VanDerWaalsContact O-CG 3.32Å; H345-H349 PolarHBondContact O-N 3.32Å; W346-H349 PolarHBondContact O-N 2.84Å; W346-H349 VanDerWaalsContact O-N 3.09Å; H349-K351 VanDerWaalsContact C-N 3.31Å; H349-K351 PolarHBondContact O-N 2.83Å; H349-L352 PolarHBondContact O-N 3.13Å; H349-V353 WeakPolarHBondContact O-CG2 3.31Å; H349-V353 PolarHBondContact O-N 2.85Å
350	I	98.9	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-44.6	172.2	-63.5	-56.7	0	0	0	110.6	W346 L352 V353 L354 Q440 D443 Q447 L531	W346-I350 HydrophobicContact CZ2-CD1 4.29Å; W346-I350 WeakPolarHBondContact O-CG1 3.29Å; W346-I350 PolarHBondContact O-N 3.29Å; I350-L352 PolarHBondContact O-N 2.91Å; I350-V353 PolarHBondContact O-N 3.32Å; I350-L354 HydrophobicContact CG2-CD1 4.03Å; I350-L354 PolarHBondContact O-N 2.71Å; I350-Q440 HydrophobicContact CD1-CB 4.12Å; I350-Q440 HydrophobicContact CD1-CG 4.14Å; I350-D443 HydrophobicContact CD1-CB 3.82Å; I350-Q447 HydrophobicContact CG2-CG 3.89Å; I350-L531 HydrophobicContact CG2-CD1 4.29Å
351	K	98.9	Very high	98.7	Very high	73 Å²	73	32 Å²	32	32%	0.317	16%	0.161	S	C	.	.	H	α-helix	trans	-56.5	-49.1	174.6	178.9	-166.5	165.8	-162.4	0	111.9	L347 E348 H349 L354 T355 A526 M528 L531	L347-K351 VanDerWaalsContact O-CB 3.26Å; L347-K351 WeakPolarHBondContact O-CB 3.47Å; L347-K351 PolarHBondContact O-N 3.15Å; E348-K351 WeakPolarHBondContact O-CB 3.37Å; E348-K351 PolarHBondContact O-N 3.07Å; H349-K351 VanDerWaalsContact C-N 3.31Å; H349-K351 PolarHBondContact O-N 2.83Å; K351-L354 PolarHBondContact O-N 2.68Å; K351-T355 VanDerWaalsContact O-CB 3.29Å; K351-T355 WeakPolarHBondContact O-CB 3.39Å; K351-T355 PolarHBondContact O-N 2.81Å; K351-T355 PolarHBondContact O-OG1 2.97Å; K351-A526 HydrophobicContact CG-CB 4.35Å; K351-A526 WeakPolarHBondContact CG-O 3.48Å; K351-M528 HydrophobicContact CD-CG 4.36Å; K351-M528 HydrophobicContact CD-SD 4.25Å; K351-L531 HydrophobicContact CB-CD1 3.6Å; K351-L531 HydrophobicContact CG-CD1 4.33Å
352	L	98.9	Very high	98.7	Very high	37 Å²	37	35 Å²	35	19%	0.194	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-42.5	-178.5	-71.4	170	0	0	0	111.7	I311 E348 H349 I350 T355 G356	I311-L352 HydrophobicContact CG1-CB 4.29Å; E348-L352 WeakPolarHBondContact O-CG 3.4Å; E348-L352 PolarHBondContact O-N 3.48Å; H349-L352 PolarHBondContact O-N 3.13Å; I350-L352 PolarHBondContact O-N 2.91Å; L352-T355 PolarHBondContact O-N 3.01Å; L352-G356 PolarHBondContact O-N 3.43Å
353	V	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-48.1	176.5	174.3	0	0	0	0	111.3	I311 H349 I350 G356 A357 Q384 L388	I311-V353 HydrophobicContact CD1-CG2 4.2Å; I311-V353 HydrophobicContact CG2-CG2 3.89Å; H349-V353 WeakPolarHBondContact O-CG2 3.31Å; H349-V353 PolarHBondContact O-N 2.85Å; I350-V353 PolarHBondContact O-N 3.32Å; V353-G356 PolarHBondContact O-N 3.2Å; V353-A357 PolarHBondContact O-N 3.31Å; V353-Q384 HydrophobicContact CG1-CB 3.96Å; V353-L388 HydrophobicContact CG1-CD1 3.5Å
354	L	98.9	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-41.8	176.1	-78.5	170.9	0	0	0	112.1	I350 K351 G356 A357 I358 M392 C444 Q447 M448 P524 A526 L531	I350-L354 HydrophobicContact CG2-CD1 4.03Å; I350-L354 PolarHBondContact O-N 2.71Å; K351-L354 PolarHBondContact O-N 2.68Å; L354-G356 PolarHBondContact O-N 3.17Å; L354-A357 PolarHBondContact O-N 3.38Å; L354-I358 WeakPolarHBondContact O-CB 3.29Å; L354-I358 WeakPolarHBondContact O-CD1 3.34Å; L354-I358 WeakPolarHBondContact O-CG1 3.2Å; L354-I358 PolarHBondContact O-N 3.33Å; L354-M392 HydrophobicContact CD2-CE 4.23Å; L354-C444 HydrophobicContact CD2-CB 3.81Å; L354-C444 HydrophobicContact CG-CB 4.01Å; L354-Q447 HydrophobicContact CD1-CB 4Å; L354-Q447 HydrophobicContact CD1-CG 4.2Å; L354-M448 HydrophobicContact CD2-CG 4.16Å; L354-M448 HydrophobicContact CD2-SD 4.47Å; L354-P524 HydrophobicContact CD2-CG 4.41Å; L354-A526 HydrophobicContact CB-CB 3.94Å; L354-L531 HydrophobicContact CD1-CD2 3.61Å
355	T	98.9	Very high	98.4	Very high	44 Å²	44	28.8 Å²	28.8	27%	0.27	14%	0.144	S	C	.	.	H	α-helix	trans	-60.7	-46.3	178.3	-57.9	0	0	0	0	111	K351 L352 A357 I358 Q359 A526	K351-T355 VanDerWaalsContact O-CB 3.29Å; K351-T355 WeakPolarHBondContact O-CB 3.39Å; K351-T355 PolarHBondContact O-N 2.81Å; K351-T355 PolarHBondContact O-OG1 2.97Å; L352-T355 PolarHBondContact O-N 3.01Å; T355-A357 PolarHBondContact O-N 2.69Å; T355-I358 PolarHBondContact O-N 3.27Å; T355-Q359 WeakPolarHBondContact O-CG 3.47Å; T355-Q359 PolarHBondContact O-N 2.84Å; T355-A526 VanDerWaalsContact OG1-CB 3.28Å; T355-A526 WeakPolarHBondContact OG1-CB 3.42Å
356	G	98.8	Very high	98.1	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-43	175.8	0	0	0	0	0	112.5	L352 V353 L354 Q359 V360 L385	L352-G356 PolarHBondContact O-N 3.43Å; V353-G356 PolarHBondContact O-N 3.2Å; L354-G356 PolarHBondContact O-N 3.17Å; G356-Q359 PolarHBondContact O-N 2.62Å; G356-V360 WeakPolarHBondContact O-CG2 3.27Å; G356-V360 PolarHBondContact O-N 3.42Å; G356-L385 VanDerWaalsContact C-CD2 3.46Å
357	A	98.9	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-38.8	177.3	0	0	0	0	0	112.6	V353 L354 T355 Q359 V360 A361 L385 L388 M392	V353-A357 PolarHBondContact O-N 3.31Å; L354-A357 PolarHBondContact O-N 3.38Å; T355-A357 PolarHBondContact O-N 2.69Å; A357-Q359 VanDerWaalsContact C-N 3.34Å; A357-V360 PolarHBondContact O-N 2.61Å; A357-A361 WeakPolarHBondContact O-CB 3.32Å; A357-A361 PolarHBondContact O-N 3.15Å; A357-L385 HydrophobicContact CB-CD2 4.38Å; A357-L388 HydrophobicContact CB-CB 3.45Å; A357-L388 VanDerWaalsContact CB-CB 3.45Å; A357-L388 HydrophobicContact CB-CD1 4.22Å; A357-L388 HydrophobicContact CB-CG 4.5Å; A357-M392 HydrophobicContact CB-CE 3.7Å; A357-M392 HydrophobicContact CB-SD 4.42Å
358	I	98.8	Very high	96.8	Very high	34 Å²	34	34.8 Å²	34.8	17%	0.174	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-44.4	173.3	-70.2	158.5	0	0	0	110.4	L354 T355 V360 A361 D362 M392 Y523 P524 A526	L354-I358 WeakPolarHBondContact O-CB 3.29Å; L354-I358 WeakPolarHBondContact O-CD1 3.34Å; L354-I358 WeakPolarHBondContact O-CG1 3.2Å; L354-I358 PolarHBondContact O-N 3.33Å; T355-I358 PolarHBondContact O-N 3.27Å; I358-V360 PolarHBondContact O-N 3.3Å; I358-A361 PolarHBondContact O-N 3.09Å; I358-D362 VanDerWaalsContact O-CB 3.29Å; I358-D362 WeakPolarHBondContact O-CB 3.46Å; I358-D362 PolarHBondContact O-N 3.24Å; I358-M392 HydrophobicContact CG1-CE 3.91Å; I358-M392 HydrophobicContact CG1-SD 3.96Å; I358-Y523 HydrophobicContact CG2-CD1 4.29Å; I358-P524 HydrophobicContact CD1-CG 4.05Å; I358-P524 WeakPolarHBondContact CD1-O 3.3Å; I358-P524 HydrophobicContact CG1-CG 4.02Å; I358-A526 HydrophobicContact CD1-CB 3.76Å
359	Q	98.6	Very high	96.6	Very high	77 Å²	77	30.9 Å²	30.9	36%	0.36	16%	0.163	S	C	.	.	H	α-helix	trans	-63.1	-41.8	178.5	-72.8	177.8	-23.9	0	0	112.2	Y277 T355 G356 A357 K363	Y277-Q359 HydrophobicContact CE1-CB 4.04Å; Y277-Q359 PolarHBondContact OH-O 2.91Å; T355-Q359 WeakPolarHBondContact O-CG 3.47Å; T355-Q359 PolarHBondContact O-N 2.84Å; G356-Q359 PolarHBondContact O-N 2.62Å; A357-Q359 VanDerWaalsContact C-N 3.34Å; Q359-K363 WeakPolarHBondContact O-CB 3.43Å; Q359-K363 PolarHBondContact O-N 3.01Å; Q359-K363 VanDerWaalsContact O-N 3.1Å
360	V	98.7	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-49.1	173.2	173.2	0	0	0	0	110.3	I239 Y277 G356 A357 I358 V364 V371 V373 A389	I239-V360 HydrophobicContact CD1-CG1 4.01Å; I239-V360 HydrophobicContact CG1-CG1 4.24Å; I239-V360 HydrophobicContact CG2-CG1 4.5Å; Y277-V360 HydrophobicContact CD2-CG2 3.7Å; Y277-V360 HydrophobicContact CE2-CG2 4.19Å; Y277-V360 HydrophobicContact CG-CG2 4.17Å; G356-V360 WeakPolarHBondContact O-CG2 3.27Å; G356-V360 PolarHBondContact O-N 3.42Å; A357-V360 PolarHBondContact O-N 2.61Å; I358-V360 PolarHBondContact O-N 3.3Å; V360-V364 VanDerWaalsContact O-CG2 3.3Å; V360-V364 WeakPolarHBondContact O-CG2 3.39Å; V360-V364 PolarHBondContact O-N 3.49Å; V360-V371 HydrophobicContact CG1-CG2 3.78Å; V360-V373 HydrophobicContact CG1-CG2 4.09Å; V360-V373 HydrophobicContact CG2-CG2 3.86Å; V360-A389 HydrophobicContact CB-CB 3.9Å; V360-A389 HydrophobicContact CG1-CB 3.47Å; V360-A389 VanDerWaalsContact CG1-CB 3.47Å
361	A	98.4	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-46.1	-179.2	0	0	0	0	0	112.8	A357 I358 K363 V364 S365 A389 M392 L393	A357-A361 WeakPolarHBondContact O-CB 3.32Å; A357-A361 PolarHBondContact O-N 3.15Å; I358-A361 PolarHBondContact O-N 3.09Å; A361-K363 PolarHBondContact O-N 3.25Å; A361-V364 PolarHBondContact O-N 3.06Å; A361-S365 WeakPolarHBondContact O-CB 3.18Å; A361-S365 PolarHBondContact O-N 3.23Å; A361-A389 HydrophobicContact CB-CB 4.29Å; A361-M392 HydrophobicContact CB-CB 3.94Å; A361-M392 HydrophobicContact CB-SD 3.94Å; A361-L393 HydrophobicContact CB-CD1 4.38Å; A361-L393 HydrophobicContact CB-CD2 4.18Å; A361-L393 HydrophobicContact CB-CG 4.02Å
362	D	97.8	Very high	96.5	Very high	78 Å²	78	26.9 Å²	26.9	42%	0.417	15%	0.145	S	C	.	.	H	α-helix	trans	-61.2	-44.8	179.6	178.8	69	0	0	0	112	I358 V364 S365 S366 Y523	I358-D362 VanDerWaalsContact O-CB 3.29Å; I358-D362 WeakPolarHBondContact O-CB 3.46Å; I358-D362 PolarHBondContact O-N 3.24Å; D362-V364 VanDerWaalsContact C-N 3.31Å; D362-V364 PolarHBondContact O-N 3.19Å; D362-S365 PolarHBondContact O-N 3.14Å; D362-S366 WeakPolarHBondContact O-CB 3.4Å; D362-S366 PolarHBondContact O-N 2.92Å; D362-S366 PolarHBondContact O-OG 3.21Å; D362-Y523 HydrophobicContact CB-CE1 3.98Å
363	K	96.9	Very high	96.5	Very high	38 Å²	38	25.1 Å²	25.1	17%	0.165	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-40	179.8	-173.2	66.6	64.7	144.1	0	112.1	T275 Y277 E305 Q359 A361 S366 V371	T275-K363 HydrophobicContact CG2-CG 4.29Å; T275-K363 WeakPolarHBondContact OG1-CD 3.41Å; Y277-K363 HydrophobicContact CE2-CB 4.35Å; E305-K363 IonicContact OE1-NZ 3.17Å; E305-K363 PolarHBondContact OE1-NZ 3.12Å; Q359-K363 WeakPolarHBondContact O-CB 3.43Å; Q359-K363 PolarHBondContact O-N 3.01Å; Q359-K363 VanDerWaalsContact O-N 3.1Å; A361-K363 PolarHBondContact O-N 3.25Å; K363-S366 PolarHBondContact O-OG 3Å; K363-V371 HydrophobicContact CB-CG1 3.78Å; K363-V371 HydrophobicContact CG-CG1 3.57Å
364	V	96.5	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-75	-48.5	179	173	0	0	0	0	111.4	W230 N235 T237 I239 V360 A361 D362 S366 G367 V371 L393	W230-V364 HydrophobicContact CE3-CG1 4.09Å; W230-V364 HydrophobicContact CZ3-CG1 3.55Å; N235-V364 PolarHBondContact ND2-O 3.42Å; T237-V364 VanDerWaalsContact OG1-CG1 3.22Å; T237-V364 WeakPolarHBondContact OG1-CG1 3.5Å; T237-V364 PolarHBondContact OG1-O 2.9Å; I239-V364 HydrophobicContact CG1-CG2 3.82Å; V360-V364 VanDerWaalsContact O-CG2 3.3Å; V360-V364 WeakPolarHBondContact O-CG2 3.39Å; V360-V364 PolarHBondContact O-N 3.49Å; A361-V364 PolarHBondContact O-N 3.06Å; D362-V364 VanDerWaalsContact C-N 3.31Å; D362-V364 PolarHBondContact O-N 3.19Å; V364-S366 PolarHBondContact O-N 3Å; V364-G367 PolarHBondContact O-N 3.27Å; V364-G367 VanDerWaalsContact O-N 3.13Å; V364-V371 HydrophobicContact CG2-CB 4.19Å; V364-V371 HydrophobicContact CG2-CG1 3.74Å; V364-V371 HydrophobicContact CG2-CG2 3.39Å; V364-L393 HydrophobicContact CB-CD1 4.26Å; V364-L393 HydrophobicContact CG1-CD1 3.97Å
365	S	95.8	Very high	96.5	Very high	31 Å²	31	25.2 Å²	25.2	22%	0.217	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-40	-178.5	176.4	0	0	0	0	112.2	N235 A361 D362 G367 Y523	N235-S365 PolarHBondContact ND2-O 3.47Å; A361-S365 WeakPolarHBondContact O-CB 3.18Å; A361-S365 PolarHBondContact O-N 3.23Å; D362-S365 PolarHBondContact O-N 3.14Å; S365-G367 PolarHBondContact O-N 3.46Å; S365-Y523 VanDerWaalsContact CB-OH 3.24Å; S365-Y523 WeakPolarHBondContact CB-OH 3.38Å; S365-Y523 PolarHBondContact OG-OH 3.37Å
366	S	92.4	Very high	96.5	Very high	46 Å²	46	23.7 Å²	23.7	32%	0.322	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.4	177.5	63.1	0	0	0	0	113.9	D362 K363 V364 K368	D362-S366 WeakPolarHBondContact O-CB 3.4Å; D362-S366 PolarHBondContact O-N 2.92Å; D362-S366 PolarHBondContact O-OG 3.21Å; K363-S366 PolarHBondContact O-OG 3Å; V364-S366 PolarHBondContact O-N 3Å; S366-K368 PolarHBondContact O-N 3.19Å; S366-K368 WeakPolarHBondContact OG-CG 3.47Å
367	G	86.6	Confident	96.5	Very high	23 Å²	23	25.4 Å²	25.4	24%	0.237	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	7.3	-178.8	0	0	0	0	0	113.9	N235 V364 S365	N235-G367 WeakPolarHBondContact ND2-CA 3.45Å; V364-G367 PolarHBondContact O-N 3.27Å; V364-G367 VanDerWaalsContact O-N 3.13Å; S365-G367 PolarHBondContact O-N 3.46Å
368	K	83.4	Confident	96.4	Very high	151 Å²	151	25.4 Å²	25.4	66%	0.657	14%	0.137	S	C	*	.	S	Bend	trans	-80	-31.8	-173	-67.9	177.4	-177	171.2	0	112.9	S366	S366-K368 PolarHBondContact O-N 3.19Å; S366-K368 WeakPolarHBondContact OG-CG 3.47Å
369	S	94.4	Very high	96.4	Very high	3 Å²	3	24 Å²	24	2%	0.021	13%	0.129	C	C	.	.			trans	-158.8	158.3	178.6	-167.9	0	0	0	0	112.9	K273 T275	K273-S369 PolarHBondContact O-OG 3.23Å; T275-S369 PolarHBondContact N-OG 2.98Å; T275-S369 VanDerWaalsContact N-OG 3.16Å; T275-S369 WeakPolarHBondContact OG1-CB 3.33Å; T275-S369 PolarHBondContact OG1-OG 3.46Å
370	S	97.9	Very high	96.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.			trans	-88.1	148.2	164.3	-71.4	0	0	0	0	107.4	V238 I271 L274 T275	V238-S370 PolarHBondContact N-OG 2.89Å; V238-S370 CarbonylContact O-C 3.34Å; V238-S370 WeakPolarHBondContact O-CA 3.2Å; I271-S370 VanDerWaalsContact CD1-OG 3.23Å; I271-S370 WeakPolarHBondContact CD1-OG 3.43Å; L274-S370 VanDerWaalsContact CD1-O 3.31Å; L274-S370 WeakPolarHBondContact CD1-O 3.36Å; T275-S370 PolarHBondContact N-O 3.4Å
371	V	98.6	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.7	-171.2	-59.2	0	0	0	0	111.1	V238 I239 V240 T275 Y277 V360 K363 V364 V373	V238-V371 PolarHBondContact O-N 3.31Å; I239-V371 HydrophobicContact CB-CG2 4.08Å; I239-V371 HydrophobicContact CG1-CG2 3.67Å; I239-V371 HydrophobicContact CG2-CG2 4.17Å; V240-V371 WeakPolarHBondContact CG2-O 3.44Å; V240-V371 PolarHBondContact N-O 3.32Å; T275-V371 CarbonylContact O-C 3.51Å; T275-V371 VanDerWaalsContact O-CA 3.25Å; T275-V371 WeakPolarHBondContact O-CA 3.32Å; Y277-V371 HydrophobicContact CD2-CB 4.24Å; Y277-V371 HydrophobicContact CD2-CG1 4.25Å; Y277-V371 HydrophobicContact CE2-CB 4.4Å; Y277-V371 HydrophobicContact CE2-CG1 3.91Å; V360-V371 HydrophobicContact CG1-CG2 3.78Å; K363-V371 HydrophobicContact CB-CG1 3.78Å; K363-V371 HydrophobicContact CG-CG1 3.57Å; V364-V371 HydrophobicContact CG2-CB 4.19Å; V364-V371 HydrophobicContact CG2-CG1 3.74Å; V364-V371 HydrophobicContact CG2-CG2 3.39Å; V371-V373 HydrophobicContact CG2-CG2 4.43Å
372	L	98.9	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.1	168.2	178.6	139.9	0	0	0	109.3	P226 V240 L261 L274 T275 I276 Y277	P226-L372 HydrophobicContact CB-CD1 3.63Å; P226-L372 HydrophobicContact CG-CD1 3.78Å; V240-L372 HydrophobicContact CG2-CB 3.54Å; V240-L372 HydrophobicContact CG2-CD1 3.76Å; V240-L372 HydrophobicContact CG2-CG 3.83Å; V240-L372 WeakPolarHBondContact O-CA 3.43Å; L261-L372 HydrophobicContact CD1-CD1 4.33Å; L261-L372 HydrophobicContact CD2-CD1 3.46Å; L261-L372 VanDerWaalsContact CD2-CD1 3.46Å; L274-L372 HydrophobicContact CD2-CB 4.18Å; T275-L372 PolarHBondContact O-N 2.97Å; I276-L372 CarbonylContact C-O 3.27Å; I276-L372 WeakPolarHBondContact CA-O 3.44Å; I276-L372 HydrophobicContact CB-CD2 4.42Å; I276-L372 HydrophobicContact CD1-CD2 4.5Å; I276-L372 HydrophobicContact CG1-CB 4.3Å; I276-L372 HydrophobicContact CG1-CD2 4.12Å; I276-L372 HydrophobicContact CG2-CD2 3.77Å; Y277-L372 PolarHBondContact N-O 3.02Å
373	V	98.9	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124	-177.7	-173.5	0	0	0	0	109.4	I239 V240 R241 C242 V360 V371 T382 L385 T386	I239-V373 HydrophobicContact CG2-CG2 4.31Å; V240-V373 PolarHBondContact O-N 2.87Å; R241-V373 WeakPolarHBondContact CA-O 3.38Å; C242-V373 PolarHBondContact N-O 3.06Å; V360-V373 HydrophobicContact CG1-CG2 4.09Å; V360-V373 HydrophobicContact CG2-CG2 3.86Å; V371-V373 HydrophobicContact CG2-CG2 4.43Å; V373-T382 HydrophobicContact CG1-CG2 4.22Å; V373-T382 WeakPolarHBondContact O-CG2 3.36Å; V373-L385 HydrophobicContact CG1-CB 3.83Å; V373-L385 HydrophobicContact CG1-CD1 3.72Å; V373-L385 HydrophobicContact CG1-CG 4.46Å; V373-T386 HydrophobicContact CB-CG2 4.16Å; V373-T386 HydrophobicContact CG1-CG2 4.42Å; V373-T386 HydrophobicContact CG2-CG2 4.43Å
374	H	98.9	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	174.7	172.9	77.1	91.4	0	0	0	112.4	C242 Y277 D278 A279 E296 T382	C242-H374 WeakPolarHBondContact O-CA 3.44Å; C242-H374 WeakPolarHBondContact O-CB 3.48Å; Y277-H374 PolarHBondContact O-N 2.95Å; D278-H374 VanDerWaalsContact CG-CE1 3.48Å; D278-H374 IonicContact OD2-CE1 3.25Å; D278-H374 PolarHBondContact OD2-CE1 3.33Å; D278-H374 VanDerWaalsContact OD2-CE1 3.29Å; D278-H374 IonicContact OD2-NE2 3.41Å; A279-H374 PolarHBondContact N-O 3.11Å; E296-H374 IonicContact OE2-CD2 2.84Å; E296-H374 IonicContact OE2-CE1 2.89Å; E296-H374 IonicContact OE2-NE2 2.65Å; E296-H374 PolarHBondContact OE2-NE2 3.32Å; E296-H374 VanDerWaalsContact OE2-NE2 3.17Å; H374-T382 VanDerWaalsContact C-OG1 3.25Å; H374-T382 WeakPolarHBondContact CA-OG1 3.4Å
375	C	98.1	Very high	96.7	Very high	2 Å²	2	16 Å²	16	1%	0.014	9%	0.09	C	C	.	.			trans	-143.4	-141.9	167.4	62.2	0	0	0	0	107.1	Q244 A279 R280 G378 R381 T382	Q244-C375 WeakPolarHBondContact CB-O 3.39Å; Q244-C375 PolarHBondContact N-O 2.84Å; Q244-C375 VanDerWaalsContact N-O 3.14Å; A279-C375 HydrophobicContact CB-CB 3.82Å; R280-C375 HydrophobicContact CG-CB 4.38Å; C375-G378 PolarHBondContact SG-N 2.93Å; C375-R381 HydrophobicContact CB-CB 4.24Å; C375-T382 PolarHBondContact N-OG1 3.38Å; C375-T382 PolarHBondContact SG-OG1 3.12Å
376	S	98.4	Very high	96.9	Very high	13 Å²	13	14.6 Å²	14.6	9%	0.091	8%	0.079	C	C	.	.	S	Bend	trans	-67.5	-72.4	170.4	-64.3	0	0	0	0	111.6	Q244 R280 N288	Q244-S376 VanDerWaalsContact CG-O 3.3Å; Q244-S376 WeakPolarHBondContact CG-O 3.32Å; Q244-S376 PolarHBondContact N-O 3.41Å; R280-S376 WeakPolarHBondContact CD-OG 3.45Å; R280-S376 PolarHBondContact NH1-OG 2.97Å; N288-S376 PolarHBondContact ND2-OG 3.12Å; N288-S376 PolarHBondContact OD1-OG 3.49Å; N288-S376 VanDerWaalsContact OD1-OG 3.11Å
377	D	98.3	Very high	97.2	Very high	37 Å²	37	12.4 Å²	12.4	20%	0.198	6%	0.064	C	C	.	.	S	Bend	trans	-92.9	-12.9	-175.8	-64.1	-61.1	0	0	0	114	R222 R224 W379	R222-D377 IonicContact CZ-OD1 3.02Å; R222-D377 IonicContact NE-OD1 3.74Å; R222-D377 PolarHBondContact NE-OD1 3.08Å; R222-D377 IonicContact NH2-OD1 3.92Å; R224-D377 WeakPolarHBondContact CD-O 3.26Å; R224-D377 PolarHBondContact NE-O 3.5Å; D377-W379 HydrophobicContact CB-CD2 3.64Å; D377-W379 HydrophobicContact CB-CE3 4.02Å; D377-W379 HydrophobicContact CB-CG 4.25Å; D377-W379 HydrophobicContact CB-CH2 3.82Å; D377-W379 HydrophobicContact CB-CZ2 3.41Å; D377-W379 VanDerWaalsContact CB-CZ2 3.41Å; D377-W379 HydrophobicContact CB-CZ3 4.12Å; D377-W379 PolarHBondContact O-N 3.21Å; D377-W379 WeakPolarHBondContact OD2-CZ2 3.4Å
378	G	98.1	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	76.6	17.6	176.7	0	0	0	0	0	116.2	R224 R241 C242 C375	R224-G378 PolarHBondContact NH2-O 3.4Å; R241-G378 PolarHBondContact NH2-O 3.25Å; C242-G378 VanDerWaalsContact O-CA 3.28Å; C242-G378 WeakPolarHBondContact O-CA 3.4Å; C375-G378 PolarHBondContact SG-N 2.93Å
379	W	98.4	Very high	98.5	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.015	2%	0.022	C	C	.	.	S	Bend	trans	-125.1	-7.2	-179.6	60.7	47.8	0	0	0	115.6	T197 R222 D377 G415 H416 K417	T197-W379 HydrophobicContact CG2-CZ3 4.37Å; R222-W379 VanDerWaalsContact CZ-CH2 3.44Å; D377-W379 HydrophobicContact CB-CD2 3.64Å; D377-W379 HydrophobicContact CB-CE3 4.02Å; D377-W379 HydrophobicContact CB-CG 4.25Å; D377-W379 HydrophobicContact CB-CH2 3.82Å; D377-W379 HydrophobicContact CB-CZ2 3.41Å; D377-W379 VanDerWaalsContact CB-CZ2 3.41Å; D377-W379 HydrophobicContact CB-CZ3 4.12Å; D377-W379 PolarHBondContact O-N 3.21Å; D377-W379 WeakPolarHBondContact OD2-CZ2 3.4Å; W379-G415 WeakPolarHBondContact CB-O 3.35Å; W379-H416 PolarHBondContact O-ND1 2.9Å; W379-K417 HydrophobicContact CD2-CD 4.4Å; W379-K417 HydrophobicContact CD2-CG 4.3Å; W379-K417 HydrophobicContact CH2-CD 4.01Å; W379-K417 HydrophobicContact CZ2-CD 3.71Å; W379-K417 HydrophobicContact CZ2-CG 4.47Å; W379-K417 VanDerWaalsContact CZ2-NZ 3.35Å; W379-K417 HydrophobicContact CZ3-CD 4.46Å
380	D	98.8	Very high	98.7	Very high	7 Å²	7	4 Å²	4	4%	0.037	2%	0.021	C	C	.	.	S	Bend	trans	-106.4	-90	179.3	-69.7	-52.5	0	0	0	109.6	T382 A383 Q384 H416 R421 I437	D380-T382 VanDerWaalsContact C-N 3.25Å; D380-T382 PolarHBondContact O-N 2.61Å; D380-A383 WeakPolarHBondContact O-CB 3.34Å; D380-A383 PolarHBondContact O-N 3.35Å; D380-Q384 PolarHBondContact O-N 3.33Å; D380-Q384 VanDerWaalsContact O-N 3.13Å; D380-H416 IonicContact OD1-CE1 2.85Å; D380-H416 PolarHBondContact OD1-CE1 2.98Å; D380-H416 IonicContact OD1-ND1 3.78Å; D380-H416 PolarHBondContact OD1-ND1 3.43Å; D380-R421 IonicContact OD1-CZ 3.02Å; D380-R421 IonicContact OD1-NE 2.83Å; D380-R421 PolarHBondContact OD1-NE 3.22Å; D380-R421 IonicContact OD1-NH2 2.92Å; D380-R421 IonicContact OD2-CZ 3.77Å; D380-R421 IonicContact OD2-NE 2.7Å; D380-R421 IonicContact OD2-NH2 2.73Å; D380-R421 PolarHBondContact OD2-NH2 3.47Å; D380-I437 HydrophobicContact CB-CG1 4.39Å; D380-I437 HydrophobicContact CB-CG2 3.97Å
381	R	98.9	Very high	98.7	Very high	19 Å²	19	4 Å²	4	7%	0.072	2%	0.021	C	C	.	.	H	α-helix	trans	-58.8	-36.1	179.7	-66.7	162.4	-75.8	-165	-2.5	113.1	A279 I311 H312 C375 A383 Q384 L385	A279-R381 HydrophobicContact CB-CB 3.55Å; A279-R381 HydrophobicContact CB-CG 4.38Å; I311-R381 HydrophobicContact CB-CG 4.28Å; I311-R381 HydrophobicContact CG2-CG 3.73Å; I311-R381 VanDerWaalsContact O-CD 3.26Å; I311-R381 WeakPolarHBondContact O-CD 3.43Å; I311-R381 PolarHBondContact O-NH1 2.99Å; H312-R381 WeakPolarHBondContact O-CD 3.46Å; C375-R381 HydrophobicContact CB-CB 4.24Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.22Å; R381-Q384 WeakPolarHBondContact O-CB 3.34Å; R381-Q384 PolarHBondContact O-N 3.29Å; R381-L385 VanDerWaalsContact O-CG 3.29Å; R381-L385 WeakPolarHBondContact O-CG 3.46Å; R381-L385 PolarHBondContact O-N 3.5Å
382	T	98.9	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.5	-39.5	174.7	-56.6	0	0	0	0	111.8	R241 V373 H374 C375 D380 T386	R241-T382 HydrophobicContact CB-CG2 3.78Å; V373-T382 HydrophobicContact CG1-CG2 4.22Å; V373-T382 WeakPolarHBondContact O-CG2 3.36Å; H374-T382 VanDerWaalsContact C-OG1 3.25Å; H374-T382 WeakPolarHBondContact CA-OG1 3.4Å; C375-T382 PolarHBondContact N-OG1 3.38Å; C375-T382 PolarHBondContact SG-OG1 3.12Å; D380-T382 VanDerWaalsContact C-N 3.25Å; D380-T382 PolarHBondContact O-N 2.61Å; T382-T386 HydrophobicContact CG2-CG2 4.35Å; T382-T386 WeakPolarHBondContact O-CB 3.16Å; T382-T386 VanDerWaalsContact O-CG2 3.32Å; T382-T386 WeakPolarHBondContact O-CG2 3.45Å; T382-T386 PolarHBondContact O-N 3.39Å; T382-T386 PolarHBondContact O-OG1 2.78Å
383	A	98.9	Very high	98.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.8	-40.8	175.9	0	0	0	0	0	111.1	D380 R381 T386 S387 W411	D380-A383 WeakPolarHBondContact O-CB 3.34Å; D380-A383 PolarHBondContact O-N 3.35Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.22Å; A383-T386 PolarHBondContact O-OG1 3.25Å; A383-S387 VanDerWaalsContact O-CB 3.3Å; A383-S387 WeakPolarHBondContact O-CB 3.23Å; A383-S387 PolarHBondContact O-N 3.03Å; A383-S387 VanDerWaalsContact O-N 3.09Å; A383-S387 PolarHBondContact O-OG 2.87Å; A383-W411 HydrophobicContact CB-CD2 3.96Å; A383-W411 HydrophobicContact CB-CE3 3.98Å; A383-W411 HydrophobicContact CB-CH2 4.24Å; A383-W411 HydrophobicContact CB-CZ2 4.15Å; A383-W411 HydrophobicContact CB-CZ3 4.15Å
384	Q	98.9	Very high	98.7	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-56.5	-53.6	173.3	-65.4	174.3	-47.8	0	0	111.5	V353 D380 R381 S387 L388 W411 I437 F441	V353-Q384 HydrophobicContact CG1-CB 3.96Å; D380-Q384 PolarHBondContact O-N 3.33Å; D380-Q384 VanDerWaalsContact O-N 3.13Å; R381-Q384 WeakPolarHBondContact O-CB 3.34Å; R381-Q384 PolarHBondContact O-N 3.29Å; Q384-S387 PolarHBondContact O-OG 3.39Å; Q384-L388 VanDerWaalsContact O-CB 3.29Å; Q384-L388 WeakPolarHBondContact O-CB 3.25Å; Q384-L388 WeakPolarHBondContact O-CD1 3.37Å; Q384-L388 WeakPolarHBondContact O-CG 3.22Å; Q384-L388 PolarHBondContact O-N 3.24Å; Q384-W411 HydrophobicContact CG-CH2 3.59Å; Q384-W411 HydrophobicContact CG-CZ2 4.02Å; Q384-I437 HydrophobicContact CG-CG2 4.03Å; Q384-I437 PolarHBondContact NE2-O 3.04Å; Q384-F441 HydrophobicContact CG-CB 4.38Å
385	L	98.9	Very high	98.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.9	-47.5	-174.7	-69.3	171.2	0	0	0	113.1	A279 L309 I311 G356 A357 V373 R381 A389	A279-L385 HydrophobicContact CB-CD1 3.62Å; L309-L385 HydrophobicContact CD1-CD1 3.44Å; L309-L385 VanDerWaalsContact CD1-CD1 3.44Å; L309-L385 HydrophobicContact CD1-CD2 3.94Å; L309-L385 HydrophobicContact CD1-CG 4.35Å; I311-L385 HydrophobicContact CD1-CD1 4.21Å; I311-L385 HydrophobicContact CD1-CD2 3.84Å; I311-L385 HydrophobicContact CD1-CG 4.2Å; G356-L385 VanDerWaalsContact C-CD2 3.46Å; A357-L385 HydrophobicContact CB-CD2 4.38Å; V373-L385 HydrophobicContact CG1-CB 3.83Å; V373-L385 HydrophobicContact CG1-CD1 3.72Å; V373-L385 HydrophobicContact CG1-CG 4.46Å; R381-L385 VanDerWaalsContact O-CG 3.29Å; R381-L385 WeakPolarHBondContact O-CG 3.46Å; R381-L385 PolarHBondContact O-N 3.5Å; L385-A389 VanDerWaalsContact O-CB 3.24Å; L385-A389 WeakPolarHBondContact O-CB 3.47Å; L385-A389 PolarHBondContact O-N 3.32Å
386	T	98.9	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.1	-49.1	-179.7	47.4	0	0	0	0	111.1	I239 R241 V373 T382 A383 A389 M390 E410	I239-T386 HydrophobicContact CG2-CG2 3.93Å; R241-T386 HydrophobicContact CB-CG2 4.04Å; V373-T386 HydrophobicContact CB-CG2 4.16Å; V373-T386 HydrophobicContact CG1-CG2 4.42Å; V373-T386 HydrophobicContact CG2-CG2 4.43Å; T382-T386 HydrophobicContact CG2-CG2 4.35Å; T382-T386 WeakPolarHBondContact O-CB 3.16Å; T382-T386 VanDerWaalsContact O-CG2 3.32Å; T382-T386 WeakPolarHBondContact O-CG2 3.45Å; T382-T386 PolarHBondContact O-N 3.39Å; T382-T386 PolarHBondContact O-OG1 2.78Å; A383-T386 PolarHBondContact O-OG1 3.25Å; T386-A389 PolarHBondContact O-N 3.29Å; T386-M390 WeakPolarHBondContact O-CB 3.26Å; T386-M390 WeakPolarHBondContact O-CG 3.39Å; T386-M390 PolarHBondContact O-N 3.02Å; T386-E410 WeakPolarHBondContact CB-OE2 3.29Å; T386-E410 PolarHBondContact OG1-OE2 3.49Å
387	S	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.8	-39.8	-178.7	60.7	0	0	0	0	113.4	A383 Q384 M390 L391 W411 F441	A383-S387 VanDerWaalsContact O-CB 3.3Å; A383-S387 WeakPolarHBondContact O-CB 3.23Å; A383-S387 PolarHBondContact O-N 3.03Å; A383-S387 VanDerWaalsContact O-N 3.09Å; A383-S387 PolarHBondContact O-OG 2.87Å; Q384-S387 PolarHBondContact O-OG 3.39Å; S387-M390 PolarHBondContact O-N 2.8Å; S387-L391 WeakPolarHBondContact O-CG 3.44Å; S387-L391 PolarHBondContact O-N 3.31Å; S387-W411 PolarHBondContact OG-NE1 3.37Å; S387-W411 VanDerWaalsContact OG-NE1 3.15Å; S387-F441 WeakPolarHBondContact OG-CD2 3.44Å; S387-F441 WeakPolarHBondContact OG-CE2 3.27Å
388	L	98.9	Very high	98.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67.5	-42.6	175.7	-70.9	169.1	0	0	0	112.2	V353 A357 Q384 M390 L391 M392 F441 C444 V445 M448	V353-L388 HydrophobicContact CG1-CD1 3.5Å; A357-L388 HydrophobicContact CB-CB 3.45Å; A357-L388 VanDerWaalsContact CB-CB 3.45Å; A357-L388 HydrophobicContact CB-CD1 4.22Å; A357-L388 HydrophobicContact CB-CG 4.5Å; Q384-L388 VanDerWaalsContact O-CB 3.29Å; Q384-L388 WeakPolarHBondContact O-CB 3.25Å; Q384-L388 WeakPolarHBondContact O-CD1 3.37Å; Q384-L388 WeakPolarHBondContact O-CG 3.22Å; Q384-L388 PolarHBondContact O-N 3.24Å; L388-M390 VanDerWaalsContact C-N 3.31Å; L388-M390 PolarHBondContact O-N 2.69Å; L388-L391 HydrophobicContact CD2-CD1 4.45Å; L388-L391 WeakPolarHBondContact O-CB 3.46Å; L388-L391 PolarHBondContact O-N 3.23Å; L388-M392 HydrophobicContact CB-CE 4.42Å; L388-M392 WeakPolarHBondContact O-CG 3.34Å; L388-M392 PolarHBondContact O-N 2.78Å; L388-F441 HydrophobicContact CD2-CD2 3.9Å; L388-F441 HydrophobicContact CD2-CE2 3.96Å; L388-F441 HydrophobicContact CG-CD2 3.89Å; L388-F441 HydrophobicContact CG-CE2 4.13Å; L388-C444 HydrophobicContact CD1-CB 3.71Å; L388-C444 HydrophobicContact CD2-CB 3.65Å; L388-C444 HydrophobicContact CG-CB 4.35Å; L388-V445 HydrophobicContact CD2-CG2 4.04Å; L388-M448 HydrophobicContact CD2-CE 3.54Å
389	A	98.9	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.8	-40.2	174.8	0	0	0	0	0	111.4	I239 V360 A361 L385 T386 L391 M392 L393	I239-A389 HydrophobicContact CD1-CB 4.01Å; V360-A389 HydrophobicContact CB-CB 3.9Å; V360-A389 HydrophobicContact CG1-CB 3.47Å; V360-A389 VanDerWaalsContact CG1-CB 3.47Å; A361-A389 HydrophobicContact CB-CB 4.29Å; L385-A389 VanDerWaalsContact O-CB 3.24Å; L385-A389 WeakPolarHBondContact O-CB 3.47Å; L385-A389 PolarHBondContact O-N 3.32Å; T386-A389 PolarHBondContact O-N 3.29Å; A389-L391 VanDerWaalsContact C-N 3.35Å; A389-L391 PolarHBondContact O-N 3.49Å; A389-M392 WeakPolarHBondContact O-CB 3.48Å; A389-M392 PolarHBondContact O-N 3.17Å; A389-L393 WeakPolarHBondContact O-CB 3.15Å; A389-L393 WeakPolarHBondContact O-CD1 3.41Å; A389-L393 WeakPolarHBondContact O-CG 3.34Å; A389-L393 PolarHBondContact O-N 3.42Å
390	M	98.8	Very high	98.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.9	-39.3	174.4	-74.3	164.6	66.5	0	0	112.2	W230 I239 T386 S387 L388 L393 D394 Y397 L406 E410	W230-M390 HydrophobicContact CB-CE 4.46Å; W230-M390 HydrophobicContact CB-CG 3.81Å; W230-M390 HydrophobicContact CB-SD 4.2Å; W230-M390 HydrophobicContact CG-CG 4.1Å; I239-M390 HydrophobicContact CD1-CG 4.36Å; T386-M390 WeakPolarHBondContact O-CB 3.26Å; T386-M390 WeakPolarHBondContact O-CG 3.39Å; T386-M390 PolarHBondContact O-N 3.02Å; S387-M390 PolarHBondContact O-N 2.8Å; L388-M390 VanDerWaalsContact C-N 3.31Å; L388-M390 PolarHBondContact O-N 2.69Å; M390-L393 PolarHBondContact O-N 2.92Å; M390-D394 PolarHBondContact O-N 3.15Å; M390-Y397 HydrophobicContact CB-CD2 3.79Å; M390-Y397 HydrophobicContact CB-CE2 3.78Å; M390-Y397 HydrophobicContact CE-CD2 4.26Å; M390-Y397 HydrophobicContact CE-CE1 4.18Å; M390-Y397 HydrophobicContact CE-CE2 3.39Å; M390-Y397 WeakPolarHBondContact CE-OH 3.48Å; M390-Y397 HydrophobicContact CG-CE2 4.23Å; M390-L406 HydrophobicContact CB-CD1 4.07Å; M390-L406 HydrophobicContact CE-CD1 3.54Å; M390-L406 HydrophobicContact SD-CD1 4.14Å; M390-E410 HydrophobicContact CE-CG 3.86Å; M390-E410 HydrophobicContact SD-CG 3.67Å
391	L	98.7	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.9	-39.6	172.8	-74.7	165.6	0	0	0	112.6	S387 L388 A389 Y397 R398 F403 L406 F441 V445 M448 F456	S387-L391 WeakPolarHBondContact O-CG 3.44Å; S387-L391 PolarHBondContact O-N 3.31Å; L388-L391 HydrophobicContact CD2-CD1 4.45Å; L388-L391 WeakPolarHBondContact O-CB 3.46Å; L388-L391 PolarHBondContact O-N 3.23Å; A389-L391 VanDerWaalsContact C-N 3.35Å; A389-L391 PolarHBondContact O-N 3.49Å; L391-Y397 WeakPolarHBondContact CD2-O 3.49Å; L391-R398 HydrophobicContact CD2-CG 4.34Å; L391-R398 PolarHBondContact O-NE 2.73Å; L391-R398 PolarHBondContact O-NH2 2.95Å; L391-F403 HydrophobicContact CD1-CD2 4.37Å; L391-F403 HydrophobicContact CD1-CE2 3.95Å; L391-F403 HydrophobicContact CD2-CD2 3.93Å; L391-F403 HydrophobicContact CD2-CE2 4.33Å; L391-L406 HydrophobicContact CD1-CD2 3.79Å; L391-L406 HydrophobicContact CD2-CD2 3.75Å; L391-L406 HydrophobicContact CG-CD2 3.5Å; L391-L406 VanDerWaalsContact CG-CD2 3.5Å; L391-F441 HydrophobicContact CD1-CE2 4.12Å; L391-F441 HydrophobicContact CD1-CZ 4.29Å; L391-V445 HydrophobicContact CD1-CG2 3.68Å; L391-M448 HydrophobicContact CB-CE 4.04Å; L391-M448 HydrophobicContact CD1-CE 3.91Å; L391-F456 HydrophobicContact CD2-CE1 4.3Å
392	M	98.8	Very high	98.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64	-42.8	176.3	-68.9	172.9	-161.5	0	0	111.1	L354 A357 I358 A361 L388 A389 R398 M448 V521 L522 P524	L354-M392 HydrophobicContact CD2-CE 4.23Å; A357-M392 HydrophobicContact CB-CE 3.7Å; A357-M392 HydrophobicContact CB-SD 4.42Å; I358-M392 HydrophobicContact CG1-CE 3.91Å; I358-M392 HydrophobicContact CG1-SD 3.96Å; A361-M392 HydrophobicContact CB-CB 3.94Å; A361-M392 HydrophobicContact CB-SD 3.94Å; L388-M392 HydrophobicContact CB-CE 4.42Å; L388-M392 WeakPolarHBondContact O-CG 3.34Å; L388-M392 PolarHBondContact O-N 2.78Å; A389-M392 WeakPolarHBondContact O-CB 3.48Å; A389-M392 PolarHBondContact O-N 3.17Å; M392-R398 PolarHBondContact O-NH2 2.98Å; M392-M448 HydrophobicContact CE-SD 3.81Å; M392-M448 HydrophobicContact CG-SD 4Å; M392-V521 CarbonylContact O-C 3.51Å; M392-V521 VanDerWaalsContact O-CA 3.29Å; M392-V521 WeakPolarHBondContact O-CA 3.47Å; M392-L522 VanDerWaalsContact CB-O 3.29Å; M392-L522 WeakPolarHBondContact CB-O 3.47Å; M392-L522 WeakPolarHBondContact CG-O 3.3Å; M392-L522 PolarHBondContact O-N 3.42Å; M392-P524 HydrophobicContact CE-CG 3.73Å; M392-P524 HydrophobicContact SD-CG 4.44Å
393	L	98.2	Very high	98.6	Very high	9 Å²	9	10.6 Å²	10.6	5%	0.047	5%	0.054	C	C	.	.	H	α-helix	trans	-83.6	-41.6	-172.4	-68	166.5	0	0	0	114	W230 I239 A361 V364 A389 M390 V521	W230-L393 HydrophobicContact CE3-CD1 3.98Å; W230-L393 HydrophobicContact CH2-CB 3.84Å; W230-L393 HydrophobicContact CH2-CD1 4.18Å; W230-L393 HydrophobicContact CH2-CG 4.42Å; W230-L393 HydrophobicContact CZ2-CB 3.98Å; W230-L393 HydrophobicContact CZ3-CB 4.29Å; W230-L393 HydrophobicContact CZ3-CD1 3.77Å; W230-L393 HydrophobicContact CZ3-CG 4.47Å; I239-L393 HydrophobicContact CD1-CD1 3.68Å; A361-L393 HydrophobicContact CB-CD1 4.38Å; A361-L393 HydrophobicContact CB-CD2 4.18Å; A361-L393 HydrophobicContact CB-CG 4.02Å; V364-L393 HydrophobicContact CB-CD1 4.26Å; V364-L393 HydrophobicContact CG1-CD1 3.97Å; A389-L393 WeakPolarHBondContact O-CB 3.15Å; A389-L393 WeakPolarHBondContact O-CD1 3.41Å; A389-L393 WeakPolarHBondContact O-CG 3.34Å; A389-L393 PolarHBondContact O-N 3.42Å; M390-L393 PolarHBondContact O-N 2.92Å; L393-V521 HydrophobicContact CD2-CG1 4.16Å; L393-V521 HydrophobicContact CD2-CG2 4.32Å
394	D	98	Very high	98.6	Very high	21 Å²	21	10.6 Å²	10.6	11%	0.112	5%	0.054	C	C	.	.			trans	-118.7	108.7	-167.1	-169	-14.8	0	0	0	111.3	R175 W230 M390 F396 Y397	R175-D394 IonicContact CZ-OD2 3.93Å; R175-D394 VanDerWaalsContact CZ-OD2 3.3Å; R175-D394 IonicContact NH1-OD1 2.7Å; R175-D394 IonicContact NH1-OD2 3.3Å; R175-D394 PolarHBondContact NH1-OD2 2.88Å; R175-D394 IonicContact NH2-OD2 2.65Å; R175-D394 PolarHBondContact NH2-OD2 3.26Å; W230-D394 HydrophobicContact CZ2-CB 4.11Å; W230-D394 PolarHBondContact NE1-OD2 3.44Å; W230-D394 VanDerWaalsContact NE1-OD2 3.08Å; M390-D394 PolarHBondContact O-N 3.15Å; D394-F396 PolarHBondContact O-N 2.93Å; D394-F396 VanDerWaalsContact O-N 3.1Å; D394-F396 WeakPolarHBondContact OD1-CB 3.3Å; D394-F396 PolarHBondContact OD1-N 3.23Å; D394-Y397 HydrophobicContact CB-CD2 3.75Å; D394-Y397 HydrophobicContact CB-CE2 3.92Å; D394-Y397 PolarHBondContact O-N 3.01Å
395	S	97.4	Very high	98.6	Very high	17 Å²	17	11.1 Å²	11.1	12%	0.119	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-57.4	-22.3	178	63.2	0	0	0	0	113.9	Y397 R398 E517	S395-Y397 VanDerWaalsContact C-N 3.34Å; S395-Y397 PolarHBondContact O-N 2.92Å; S395-R398 WeakPolarHBondContact O-CB 3.07Å; S395-R398 PolarHBondContact O-N 3.49Å; S395-R398 VanDerWaalsContact O-N 3.15Å; S395-E517 WeakPolarHBondContact CB-O 3.11Å; S395-E517 PolarHBondContact OG-O 3.27Å
396	F	97.8	Very high	98.6	Very high	54 Å²	54	11.1 Å²	11.1	24%	0.237	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-57	-47.6	175.4	171.9	-104.6	0	0	0	111.3	E172 R175 D394 R398 S399 G402 I405	E172-F396 WeakPolarHBondContact OE2-CE1 3.45Å; R175-F396 VanDerWaalsContact NE-CD1 3.28Å; D394-F396 PolarHBondContact O-N 2.93Å; D394-F396 VanDerWaalsContact O-N 3.1Å; D394-F396 WeakPolarHBondContact OD1-CB 3.3Å; D394-F396 PolarHBondContact OD1-N 3.23Å; F396-R398 PolarHBondContact O-N 3.35Å; F396-R398 VanDerWaalsContact O-N 3.08Å; F396-S399 WeakPolarHBondContact O-CB 3.39Å; F396-S399 PolarHBondContact O-N 2.99Å; F396-S399 PolarHBondContact O-OG 2.79Å; F396-G402 WeakPolarHBondContact O-CA 3.29Å; F396-I405 HydrophobicContact CE1-CB 4.48Å; F396-I405 HydrophobicContact CE1-CD1 4.1Å; F396-I405 HydrophobicContact CE1-CG2 4.25Å; F396-I405 HydrophobicContact CZ-CD1 3.61Å
397	Y	98.6	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-70	-6.6	-177.9	-57.8	-55.4	0	0	0	114	E172 R175 Q176 W230 M390 L391 D394 S395 G402 F403 I405 L406	E172-Y397 PolarHBondContact OE1-OH 3.26Å; R175-Y397 VanDerWaalsContact NH2-CZ 3.33Å; R175-Y397 PolarHBondContact NH2-OH 2.67Å; R175-Y397 VanDerWaalsContact NH2-OH 3.15Å; Q176-Y397 PolarHBondContact NE2-OH 3.4Å; Q176-Y397 VanDerWaalsContact NE2-OH 3.13Å; W230-Y397 AromaticContact CD1-CE2 3.85Å; M390-Y397 HydrophobicContact CB-CD2 3.79Å; M390-Y397 HydrophobicContact CB-CE2 3.78Å; M390-Y397 HydrophobicContact CE-CD2 4.26Å; M390-Y397 HydrophobicContact CE-CE1 4.18Å; M390-Y397 HydrophobicContact CE-CE2 3.39Å; M390-Y397 WeakPolarHBondContact CE-OH 3.48Å; M390-Y397 HydrophobicContact CG-CE2 4.23Å; L391-Y397 WeakPolarHBondContact CD2-O 3.49Å; D394-Y397 HydrophobicContact CB-CD2 3.75Å; D394-Y397 HydrophobicContact CB-CE2 3.92Å; D394-Y397 PolarHBondContact O-N 3.01Å; S395-Y397 VanDerWaalsContact C-N 3.34Å; S395-Y397 PolarHBondContact O-N 2.92Å; Y397-G402 WeakPolarHBondContact CD1-O 3.39Å; Y397-F403 WeakPolarHBondContact O-CA 3.2Å; Y397-F403 WeakPolarHBondContact O-CB 3.46Å; Y397-F403 PolarHBondContact O-N 3.01Å; Y397-I405 HydrophobicContact CE1-CG2 4.43Å; Y397-L406 HydrophobicContact CD1-CB 3.87Å; Y397-L406 HydrophobicContact CD1-CD1 4.16Å; Y397-L406 HydrophobicContact CD2-CD1 4.33Å; Y397-L406 HydrophobicContact CE1-CD1 4.37Å; Y397-L406 HydrophobicContact CG-CB 4.27Å; Y397-L406 HydrophobicContact CG-CD1 4.14Å
398	R	98.6	Very high	98.6	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.011	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-90.5	-8.7	174.8	-49.3	179.2	-152	143.8	10.4	112.9	L391 M392 S395 F396 A455 F456 E457 R520	L391-R398 HydrophobicContact CD2-CG 4.34Å; L391-R398 PolarHBondContact O-NE 2.73Å; L391-R398 PolarHBondContact O-NH2 2.95Å; M392-R398 PolarHBondContact O-NH2 2.98Å; S395-R398 WeakPolarHBondContact O-CB 3.07Å; S395-R398 PolarHBondContact O-N 3.49Å; S395-R398 VanDerWaalsContact O-N 3.15Å; F396-R398 PolarHBondContact O-N 3.35Å; F396-R398 VanDerWaalsContact O-N 3.08Å; R398-A455 VanDerWaalsContact CB-O 3.28Å; R398-A455 WeakPolarHBondContact CB-O 3.44Å; R398-A455 VanDerWaalsContact CD-O 3.29Å; R398-A455 WeakPolarHBondContact CD-O 3.19Å; R398-F456 HydrophobicContact CB-CD1 3.79Å; R398-F456 HydrophobicContact CB-CE1 4.21Å; R398-F456 HydrophobicContact CB-CG 4.44Å; R398-F456 HydrophobicContact CG-CD1 4.01Å; R398-F456 HydrophobicContact CG-CE1 3.9Å; R398-F456 WeakPolarHBondContact O-CA 3.2Å; R398-E457 PolarHBondContact O-N 2.84Å; R398-R520 PolarHBondContact NH1-O 3.21Å; R398-R520 VanDerWaalsContact NH1-O 3.08Å; R398-R520 PolarHBondContact NH2-O 2.97Å
399	S	98.3	Very high	98.6	Very high	20 Å²	20	11.7 Å²	11.7	14%	0.14	6%	0.059	C	C	.	.	S	Bend	trans	-71.5	159.8	165	68.2	0	0	0	0	110.5	F396 G402 F403 E457	F396-S399 WeakPolarHBondContact O-CB 3.39Å; F396-S399 PolarHBondContact O-N 2.99Å; F396-S399 PolarHBondContact O-OG 2.79Å; S399-G402 PolarHBondContact O-N 2.98Å; S399-G402 WeakPolarHBondContact OG-CA 3.34Å; S399-G402 PolarHBondContact OG-N 3.44Å; S399-F403 WeakPolarHBondContact O-CB 3.12Å; S399-F403 PolarHBondContact O-N 2.74Å; S399-E457 WeakPolarHBondContact CA-OE2 3.39Å; S399-E457 VanDerWaalsContact CB-OE2 3.29Å; S399-E457 WeakPolarHBondContact CB-OE2 3.44Å
400	I	98.7	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.6	-56.7	174.9	-73.6	166.6	0	0	0	109.2	G402 F403 E404 E457 F458 F462 I502 K506 F509	I400-G402 PolarHBondContact O-N 2.97Å; I400-F403 PolarHBondContact O-N 2.88Å; I400-E404 VanDerWaalsContact O-CG 3.3Å; I400-E404 WeakPolarHBondContact O-CG 3.29Å; I400-E404 PolarHBondContact O-N 2.86Å; I400-E457 HydrophobicContact CD1-CG 4.22Å; I400-E457 HydrophobicContact CG1-CB 4.39Å; I400-E457 HydrophobicContact CG1-CG 4.2Å; I400-E457 PolarHBondContact N-OE2 2.75Å; I400-F458 HydrophobicContact CG1-CB 3.83Å; I400-F462 HydrophobicContact CG2-CE2 3.99Å; I400-I502 HydrophobicContact CG2-CG2 4.33Å; I400-K506 HydrophobicContact CD1-CD 4.4Å; I400-K506 HydrophobicContact CD1-CG 3.72Å; I400-F509 HydrophobicContact CD1-CB 4.37Å
401	E	98.6	Very high	98.6	Very high	97 Å²	97	11.7 Å²	11.7	45%	0.453	6%	0.059	S	C	.	.	H	α-helix	trans	-63.5	-41.7	-178	-175.7	179.6	173.8	0	0	112.1	V166 F403 E404 I405	V166-E401 HydrophobicContact CG2-CG 3.95Å; E401-F403 VanDerWaalsContact C-N 3.31Å; E401-F403 PolarHBondContact O-N 3.35Å; E401-E404 WeakPolarHBondContact O-CB 3.32Å; E401-E404 PolarHBondContact O-N 3.29Å; E401-I405 HydrophobicContact CG-CD1 4.17Å; E401-I405 WeakPolarHBondContact O-CG1 3.43Å; E401-I405 PolarHBondContact O-N 3.45Å
402	G	98.7	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.4	-36.6	176.3	0	0	0	0	0	112.6	F396 Y397 S399 I400 I405 L406	F396-G402 WeakPolarHBondContact O-CA 3.29Å; Y397-G402 WeakPolarHBondContact CD1-O 3.39Å; S399-G402 PolarHBondContact O-N 2.98Å; S399-G402 WeakPolarHBondContact OG-CA 3.34Å; S399-G402 PolarHBondContact OG-N 3.44Å; I400-G402 PolarHBondContact O-N 2.97Å; G402-I405 PolarHBondContact O-N 2.89Å; G402-L406 WeakPolarHBondContact O-CB 3.41Å; G402-L406 PolarHBondContact O-N 3.49Å
403	F	98.9	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.6	-39.7	174.8	-169.2	-90.8	0	0	0	111.9	L391 Y397 S399 I400 E401 I405 L406 V407 F441 I442 V445 F458 F462 L463 I466	L391-F403 HydrophobicContact CD1-CD2 4.37Å; L391-F403 HydrophobicContact CD1-CE2 3.95Å; L391-F403 HydrophobicContact CD2-CD2 3.93Å; L391-F403 HydrophobicContact CD2-CE2 4.33Å; Y397-F403 WeakPolarHBondContact O-CA 3.2Å; Y397-F403 WeakPolarHBondContact O-CB 3.46Å; Y397-F403 PolarHBondContact O-N 3.01Å; S399-F403 WeakPolarHBondContact O-CB 3.12Å; S399-F403 PolarHBondContact O-N 2.74Å; I400-F403 PolarHBondContact O-N 2.88Å; E401-F403 VanDerWaalsContact C-N 3.31Å; E401-F403 PolarHBondContact O-N 3.35Å; F403-I405 VanDerWaalsContact C-N 3.33Å; F403-I405 PolarHBondContact O-N 3.22Å; F403-L406 HydrophobicContact CD2-CD2 4.44Å; F403-L406 WeakPolarHBondContact O-CB 3.46Å; F403-L406 PolarHBondContact O-N 3.44Å; F403-V407 HydrophobicContact CD1-CG2 4.04Å; F403-V407 HydrophobicContact CE1-CG2 3.73Å; F403-V407 HydrophobicContact CZ-CG2 4.31Å; F403-V407 WeakPolarHBondContact O-CG2 3.39Å; F403-V407 PolarHBondContact O-N 3.47Å; F403-F441 HydrophobicContact CE2-CE1 4.34Å; F403-F441 AromaticContact CE2-CZ 3.92Å; F403-F441 HydrophobicContact CE2-CZ 3.92Å; F403-F441 AromaticContact CZ-CE1 3.76Å; F403-F441 HydrophobicContact CZ-CE1 3.76Å; F403-F441 AromaticContact CZ-CZ 3.81Å; F403-F441 HydrophobicContact CZ-CZ 3.81Å; F403-I442 HydrophobicContact CE1-CD1 4.11Å; F403-I442 HydrophobicContact CZ-CD1 3.83Å; F403-V445 HydrophobicContact CE2-CB 4.4Å; F403-V445 HydrophobicContact CE2-CG1 3.77Å; F403-V445 HydrophobicContact CE2-CG2 3.82Å; F403-V445 HydrophobicContact CZ-CG1 4.19Å; F403-V445 HydrophobicContact CZ-CG2 4.1Å; F403-F458 HydrophobicContact CB-CD1 4.05Å; F403-F458 HydrophobicContact CB-CE1 3.67Å; F403-F458 AromaticContact CD2-CE1 3.55Å; F403-F458 HydrophobicContact CD2-CE1 3.55Å; F403-F458 AromaticContact CD2-CZ 3.64Å; F403-F458 HydrophobicContact CD2-CZ 3.64Å; F403-F458 HydrophobicContact CE2-CE1 4.35Å; F403-F458 AromaticContact CE2-CZ 3.99Å; F403-F458 HydrophobicContact CE2-CZ 3.99Å; F403-F458 HydrophobicContact CG-CD1 4.32Å; F403-F458 AromaticContact CG-CE1 3.71Å; F403-F458 HydrophobicContact CG-CE1 3.71Å; F403-F458 HydrophobicContact CG-CZ 4.15Å; F403-F462 HydrophobicContact CB-CE1 4.29Å; F403-F462 HydrophobicContact CB-CZ 4.28Å; F403-F462 AromaticContact CD1-CE1 3.39Å; F403-F462 HydrophobicContact CD1-CE1 3.39Å; F403-F462 AromaticContact CD1-CZ 3.66Å; F403-F462 HydrophobicContact CD1-CZ 3.66Å; F403-F462 AromaticContact CE1-CE1 3.87Å; F403-F462 HydrophobicContact CE1-CE1 3.87Å; F403-F462 HydrophobicContact CE1-CZ 4.43Å; F403-F462 AromaticContact CG-CE1 3.96Å; F403-F462 HydrophobicContact CG-CE1 3.96Å; F403-F462 HydrophobicContact CG-CZ 4.29Å; F403-L463 HydrophobicContact CE1-CD2 4.46Å; F403-L463 HydrophobicContact CZ-CD2 4.26Å; F403-I466 HydrophobicContact CD1-CD1 4.24Å; F403-I466 HydrophobicContact CE1-CD1 3.89Å
404	E	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.2	-44.7	173.7	-63.4	175.9	158.8	0	0	110.9	V166 I400 E401 L406 V407 Q408 F462 W499 I502 N503	V166-E404 HydrophobicContact CG1-CB 4.49Å; V166-E404 HydrophobicContact CG2-CB 3.98Å; V166-E404 WeakPolarHBondContact CG2-OE2 3.45Å; I400-E404 VanDerWaalsContact O-CG 3.3Å; I400-E404 WeakPolarHBondContact O-CG 3.29Å; I400-E404 PolarHBondContact O-N 2.86Å; E401-E404 WeakPolarHBondContact O-CB 3.32Å; E401-E404 PolarHBondContact O-N 3.29Å; E404-L406 PolarHBondContact O-N 3.44Å; E404-V407 PolarHBondContact O-N 3.38Å; E404-Q408 WeakPolarHBondContact O-CB 3.1Å; E404-Q408 VanDerWaalsContact O-CG 3.27Å; E404-Q408 WeakPolarHBondContact O-CG 3.43Å; E404-Q408 PolarHBondContact O-N 3.24Å; E404-F462 HydrophobicContact CG-CE2 4.47Å; E404-F462 HydrophobicContact CG-CZ 4.33Å; E404-W499 HydrophobicContact CB-CD2 4Å; E404-W499 HydrophobicContact CB-CE3 4.15Å; E404-W499 HydrophobicContact CB-CG 4.38Å; E404-W499 HydrophobicContact CB-CZ2 4.49Å; E404-W499 HydrophobicContact CB-CZ3 4.47Å; E404-W499 HydrophobicContact CG-CD2 3.79Å; E404-W499 HydrophobicContact CG-CE3 3.45Å; E404-W499 VanDerWaalsContact CG-CE3 3.45Å; E404-W499 HydrophobicContact CG-CG 4.36Å; E404-W499 HydrophobicContact CG-CH2 4.35Å; E404-W499 HydrophobicContact CG-CZ3 3.77Å; E404-I502 WeakPolarHBondContact OE1-CG2 3.28Å; E404-N503 PolarHBondContact OE1-ND2 3.4Å; E404-N503 PolarHBondContact OE2-ND2 3.34Å
405	I	98.9	Very high	98.7	Very high	12 Å²	12	10.8 Å²	10.8	6%	0.062	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-43.4	173.4	-73	165.4	0	0	0	111.2	V166 Y167 E172 F396 Y397 E401 G402 F403 V407 Q408 K409	V166-I405 HydrophobicContact CG2-CG1 4.3Å; V166-I405 WeakPolarHBondContact O-CD1 3.35Å; V166-I405 WeakPolarHBondContact O-CG1 3.42Å; Y167-I405 HydrophobicContact CD2-CG2 3.92Å; Y167-I405 HydrophobicContact CE2-CG2 4.39Å; E172-I405 HydrophobicContact CB-CG2 4.49Å; E172-I405 HydrophobicContact CG-CG2 4.11Å; F396-I405 HydrophobicContact CE1-CB 4.48Å; F396-I405 HydrophobicContact CE1-CD1 4.1Å; F396-I405 HydrophobicContact CE1-CG2 4.25Å; F396-I405 HydrophobicContact CZ-CD1 3.61Å; Y397-I405 HydrophobicContact CE1-CG2 4.43Å; E401-I405 HydrophobicContact CG-CD1 4.17Å; E401-I405 WeakPolarHBondContact O-CG1 3.43Å; E401-I405 PolarHBondContact O-N 3.45Å; G402-I405 PolarHBondContact O-N 2.89Å; F403-I405 VanDerWaalsContact C-N 3.33Å; F403-I405 PolarHBondContact O-N 3.22Å; I405-V407 VanDerWaalsContact C-N 3.32Å; I405-V407 PolarHBondContact O-N 2.91Å; I405-Q408 PolarHBondContact O-N 2.91Å; I405-K409 WeakPolarHBondContact O-CB 3.49Å; I405-K409 PolarHBondContact O-N 3.42Å
406	L	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.9	-44.3	177.4	-178.7	68.5	0	0	0	111.6	M390 L391 Y397 G402 F403 E404 E410 F441	M390-L406 HydrophobicContact CB-CD1 4.07Å; M390-L406 HydrophobicContact CE-CD1 3.54Å; M390-L406 HydrophobicContact SD-CD1 4.14Å; L391-L406 HydrophobicContact CD1-CD2 3.79Å; L391-L406 HydrophobicContact CD2-CD2 3.75Å; L391-L406 HydrophobicContact CG-CD2 3.5Å; L391-L406 VanDerWaalsContact CG-CD2 3.5Å; Y397-L406 HydrophobicContact CD1-CB 3.87Å; Y397-L406 HydrophobicContact CD1-CD1 4.16Å; Y397-L406 HydrophobicContact CD2-CD1 4.33Å; Y397-L406 HydrophobicContact CE1-CD1 4.37Å; Y397-L406 HydrophobicContact CG-CB 4.27Å; Y397-L406 HydrophobicContact CG-CD1 4.14Å; G402-L406 WeakPolarHBondContact O-CB 3.41Å; G402-L406 PolarHBondContact O-N 3.49Å; F403-L406 HydrophobicContact CD2-CD2 4.44Å; F403-L406 WeakPolarHBondContact O-CB 3.46Å; F403-L406 PolarHBondContact O-N 3.44Å; E404-L406 PolarHBondContact O-N 3.44Å; L406-E410 HydrophobicContact CD1-CB 4.46Å; L406-E410 HydrophobicContact CD1-CG 3.84Å; L406-E410 WeakPolarHBondContact O-CB 3.4Å; L406-E410 PolarHBondContact O-N 2.81Å; L406-F441 HydrophobicContact CD2-CZ 4.36Å
407	V	98.9	Very high	98.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	I	π-helix	trans	-67.2	-45.8	176.8	173.8	0	0	0	0	110.9	F403 E404 I405 K409 W411 I412 F438 F441 F478 W499	F403-V407 HydrophobicContact CD1-CG2 4.04Å; F403-V407 HydrophobicContact CE1-CG2 3.73Å; F403-V407 HydrophobicContact CZ-CG2 4.31Å; F403-V407 WeakPolarHBondContact O-CG2 3.39Å; F403-V407 PolarHBondContact O-N 3.47Å; E404-V407 PolarHBondContact O-N 3.38Å; I405-V407 VanDerWaalsContact C-N 3.32Å; I405-V407 PolarHBondContact O-N 2.91Å; V407-K409 VanDerWaalsContact C-N 3.26Å; V407-K409 PolarHBondContact O-N 2.87Å; V407-W411 WeakPolarHBondContact O-CB 3.26Å; V407-W411 PolarHBondContact O-N 3.22Å; V407-I412 HydrophobicContact CG1-CD1 4.11Å; V407-I412 PolarHBondContact O-N 3.05Å; V407-F438 HydrophobicContact CG1-CE2 4.14Å; V407-F438 HydrophobicContact CG1-CZ 3.87Å; V407-F438 HydrophobicContact CG2-CE2 4.3Å; V407-F438 HydrophobicContact CG2-CZ 4.12Å; V407-F441 HydrophobicContact CG2-CE1 4.32Å; V407-F478 HydrophobicContact CG1-CE1 3.79Å; V407-F478 HydrophobicContact CG1-CZ 4.29Å; V407-W499 HydrophobicContact CB-CH2 4.4Å; V407-W499 HydrophobicContact CB-CZ2 4.17Å; V407-W499 HydrophobicContact CG1-CH2 4.26Å; V407-W499 HydrophobicContact CG1-CZ2 3.94Å
408	Q	98.9	Very high	98.8	Very high	13 Å²	13	9.4 Å²	9.4	6%	0.061	5%	0.046	C	C	.	.	I	π-helix	trans	-60.2	-38.5	177.6	-71.7	-77.5	46.2	0	0	112.1	V166 Y167 E404 I405 I412 S413 W499	V166-Q408 HydrophobicContact CG1-CG 4.05Å; Y167-Q408 HydrophobicContact CD1-CB 3.7Å; Y167-Q408 HydrophobicContact CG-CB 3.69Å; E404-Q408 WeakPolarHBondContact O-CB 3.1Å; E404-Q408 VanDerWaalsContact O-CG 3.27Å; E404-Q408 WeakPolarHBondContact O-CG 3.43Å; E404-Q408 PolarHBondContact O-N 3.24Å; I405-Q408 PolarHBondContact O-N 2.91Å; Q408-I412 WeakPolarHBondContact O-CB 3.4Å; Q408-S413 WeakPolarHBondContact O-CB 3.48Å; Q408-S413 PolarHBondContact O-N 3.16Å; Q408-W499 VanDerWaalsContact NE2-NE1 3.19Å
409	K	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-77.8	-73.5	178.9	-176	175.8	179.8	-70.8	0	112	Y167 E172 S229 I405 V407 W411 S413 F414	Y167-K409 HydrophobicContact CE1-CB 4.49Å; Y167-K409 HydrophobicContact CE2-CB 3.89Å; Y167-K409 HydrophobicContact CE2-CD 4.37Å; Y167-K409 HydrophobicContact CE2-CG 4.29Å; E172-K409 HydrophobicContact CG-CD 3.85Å; S229-K409 PolarHBondContact O-NZ 2.82Å; I405-K409 WeakPolarHBondContact O-CB 3.49Å; I405-K409 PolarHBondContact O-N 3.42Å; V407-K409 VanDerWaalsContact C-N 3.26Å; V407-K409 PolarHBondContact O-N 2.87Å; K409-W411 VanDerWaalsContact C-N 3.28Å; K409-W411 PolarHBondContact O-N 3.5Å; K409-S413 PolarHBondContact O-N 2.98Å; K409-S413 PolarHBondContact O-OG 2.85Å; K409-F414 WeakPolarHBondContact O-CD2 3.43Å; K409-F414 PolarHBondContact O-N 2.85Å
410	E	98.9	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-72.7	-19.6	-164.9	-68.5	-56.6	113	0	0	114.3	R241 T386 M390 L406	R241-E410 IonicContact CZ-OE2 3.5Å; R241-E410 PolarHBondContact NH1-O 3Å; R241-E410 IonicContact NH1-OE2 2.77Å; R241-E410 PolarHBondContact NH1-OE2 3.17Å; T386-E410 WeakPolarHBondContact CB-OE2 3.29Å; T386-E410 PolarHBondContact OG1-OE2 3.49Å; M390-E410 HydrophobicContact CE-CG 3.86Å; M390-E410 HydrophobicContact SD-CG 3.67Å; L406-E410 HydrophobicContact CD1-CB 4.46Å; L406-E410 HydrophobicContact CD1-CG 3.84Å; L406-E410 WeakPolarHBondContact O-CB 3.4Å; L406-E410 PolarHBondContact O-N 2.81Å
411	W	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-108.6	-55	-178.9	-66.3	83.2	0	0	0	112.1	A383 Q384 S387 V407 K409 G415 H416 F418 I437 F438 F441	A383-W411 HydrophobicContact CB-CD2 3.96Å; A383-W411 HydrophobicContact CB-CE3 3.98Å; A383-W411 HydrophobicContact CB-CH2 4.24Å; A383-W411 HydrophobicContact CB-CZ2 4.15Å; A383-W411 HydrophobicContact CB-CZ3 4.15Å; Q384-W411 HydrophobicContact CG-CH2 3.59Å; Q384-W411 HydrophobicContact CG-CZ2 4.02Å; S387-W411 PolarHBondContact OG-NE1 3.37Å; S387-W411 VanDerWaalsContact OG-NE1 3.15Å; V407-W411 WeakPolarHBondContact O-CB 3.26Å; V407-W411 PolarHBondContact O-N 3.22Å; K409-W411 VanDerWaalsContact C-N 3.28Å; K409-W411 PolarHBondContact O-N 3.5Å; W411-G415 PolarHBondContact O-N 3.03Å; W411-H416 HydrophobicContact CB-CB 4.44Å; W411-H416 HydrophobicContact CE3-CB 3.87Å; W411-H416 AromaticContact CE3-CD2 3.8Å; W411-H416 AromaticContact CE3-CG 3.57Å; W411-H416 AromaticContact CE3-ND1 3.93Å; W411-H416 AromaticContact CZ3-CE1 3.91Å; W411-H416 AromaticContact CZ3-CG 3.91Å; W411-H416 AromaticContact CZ3-ND1 3.81Å; W411-H416 WeakPolarHBondContact O-CB 3.07Å; W411-H416 PolarHBondContact O-N 3.13Å; W411-F418 HydrophobicContact CB-CE2 4.01Å; W411-F418 HydrophobicContact CB-CZ 4Å; W411-F418 HydrophobicContact CE3-CZ 4.43Å; W411-I437 HydrophobicContact CH2-CG2 4.14Å; W411-I437 HydrophobicContact CZ3-CG2 4.04Å; W411-F438 HydrophobicContact CB-CE2 4.44Å; W411-F438 AromaticContact CD2-CD2 3.52Å; W411-F438 HydrophobicContact CD2-CD2 3.52Å; W411-F438 AromaticContact CD2-CE2 3.77Å; W411-F438 HydrophobicContact CD2-CE2 3.77Å; W411-F438 AromaticContact CE2-CD2 3.86Å; W411-F438 HydrophobicContact CE3-CB 4.41Å; W411-F438 AromaticContact CE3-CD2 3.44Å; W411-F438 HydrophobicContact CE3-CD2 3.44Å; W411-F438 VanDerWaalsContact CE3-CD2 3.44Å; W411-F438 HydrophobicContact CE3-CE2 4.15Å; W411-F438 HydrophobicContact CE3-CG 4.36Å; W411-F438 HydrophobicContact CG-CD2 4.11Å; W411-F438 AromaticContact CG-CE2 3.89Å; W411-F438 HydrophobicContact CG-CE2 3.89Å; W411-F438 HydrophobicContact CH2-CD2 4.01Å; W411-F438 HydrophobicContact CZ2-CD2 4.13Å; W411-F438 HydrophobicContact CZ3-CB 4.03Å; W411-F438 AromaticContact CZ3-CD2 3.68Å; W411-F438 HydrophobicContact CZ3-CD2 3.68Å; W411-F438 HydrophobicContact CZ3-CG 4.36Å; W411-F441 AromaticContact CE2-CD1 3.8Å; W411-F441 AromaticContact CE2-CG 3.82Å; W411-F441 HydrophobicContact CH2-CB 3.56Å; W411-F441 HydrophobicContact CH2-CD1 4.48Å; W411-F441 HydrophobicContact CH2-CG 4.06Å; W411-F441 HydrophobicContact CZ2-CB 3.28Å; W411-F441 AromaticContact CZ2-CD1 3.68Å; W411-F441 HydrophobicContact CZ2-CD1 3.68Å; W411-F441 AromaticContact CZ2-CD2 3.73Å; W411-F441 HydrophobicContact CZ2-CD2 3.73Å; W411-F441 HydrophobicContact CZ2-CE1 4.44Å; W411-F441 HydrophobicContact CZ2-CE2 4.49Å; W411-F441 AromaticContact CZ2-CG 3.26Å; W411-F441 HydrophobicContact CZ2-CG 3.26Å; W411-F441 AromaticContact NE1-CD1 3.82Å; W411-F441 AromaticContact NE1-CE1 3.72Å; W411-F441 AromaticContact NE1-CZ 3.85Å
412	I	98.9	Very high	98.8	Very high	9 Å²	9	7.3 Å²	7.3	5%	0.046	4%	0.042	C	C	.	.	I	π-helix	trans	-78.2	-57.6	-172	-69.5	166.7	0	0	0	111.3	V407 Q408 F414 G415 F418 T477 F478 R486	V407-I412 HydrophobicContact CG1-CD1 4.11Å; V407-I412 PolarHBondContact O-N 3.05Å; Q408-I412 WeakPolarHBondContact O-CB 3.4Å; I412-F414 VanDerWaalsContact C-N 3.33Å; I412-F414 PolarHBondContact O-N 2.83Å; I412-G415 PolarHBondContact O-N 2.93Å; I412-G415 VanDerWaalsContact O-N 3.11Å; I412-F418 HydrophobicContact CG1-CD2 4.38Å; I412-F418 HydrophobicContact CG1-CE2 3.71Å; I412-F418 HydrophobicContact CG1-CZ 4.41Å; I412-T477 HydrophobicContact CD1-CG2 3.9Å; I412-T477 WeakPolarHBondContact CD1-O 3.44Å; I412-F478 HydrophobicContact CD1-CD1 4.29Å; I412-F478 HydrophobicContact CD1-CE1 4.23Å; I412-R486 VanDerWaalsContact CG2-CZ 3.41Å; I412-R486 VanDerWaalsContact CG2-NH1 3.31Å
413	S	98.8	Very high	98.8	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.014	4%	0.044	C	C	.	.	I	π-helix	trans	-67.5	-36.8	-176.4	86.1	0	0	0	0	111.3	P199 Q408 K409 G415 E483	P199-S413 WeakPolarHBondContact CD-O 3.48Å; Q408-S413 WeakPolarHBondContact O-CB 3.48Å; Q408-S413 PolarHBondContact O-N 3.16Å; K409-S413 PolarHBondContact O-N 2.98Å; K409-S413 PolarHBondContact O-OG 2.85Å; S413-G415 PolarHBondContact O-N 3.14Å; S413-E483 WeakPolarHBondContact CB-OE1 3.04Å
414	F	98.9	Very high	98.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	5.2	174.6	-87.8	-76.2	0	0	0	115.2	T197 Y198 P199 R224 V227 R241 K409 I412	T197-F414 CarbonylContact O-C 3.42Å; Y198-F414 AromaticContact CD1-CD1 3.97Å; Y198-F414 HydrophobicContact CD1-CD1 3.97Å; Y198-F414 HydrophobicContact CD1-CE1 4.29Å; Y198-F414 AromaticContact CE1-CD1 3.82Å; Y198-F414 HydrophobicContact CE1-CD1 3.82Å; Y198-F414 HydrophobicContact CE1-CE1 4.05Å; Y198-F414 HydrophobicContact CE2-CE1 4.41Å; P199-F414 HydrophobicContact CG-CE1 4.3Å; P199-F414 HydrophobicContact CG-CE2 4.31Å; P199-F414 HydrophobicContact CG-CZ 4.18Å; R224-F414 PolarHBondContact NH1-O 2.65Å; R224-F414 PolarHBondContact NH2-O 2.91Å; V227-F414 HydrophobicContact CG2-CE1 3.48Å; V227-F414 VanDerWaalsContact CG2-CE1 3.48Å; V227-F414 HydrophobicContact CG2-CZ 3.74Å; R241-F414 HydrophobicContact CG-CD1 4.39Å; R241-F414 HydrophobicContact CG-CE1 4.04Å; R241-F414 HydrophobicContact CG-CZ 4.44Å; K409-F414 WeakPolarHBondContact O-CD2 3.43Å; K409-F414 PolarHBondContact O-N 2.85Å; I412-F414 VanDerWaalsContact C-N 3.33Å; I412-F414 PolarHBondContact O-N 2.83Å
415	G	98.8	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	36.4	163.8	0	0	0	0	0	115.4	W379 W411 I412 S413 K417 N481	W379-G415 WeakPolarHBondContact CB-O 3.35Å; W411-G415 PolarHBondContact O-N 3.03Å; I412-G415 PolarHBondContact O-N 2.93Å; I412-G415 VanDerWaalsContact O-N 3.11Å; S413-G415 PolarHBondContact O-N 3.14Å; G415-K417 PolarHBondContact O-N 3.25Å; G415-N481 CarbonylContact C-O 3.58Å; G415-N481 WeakPolarHBondContact CA-O 3.43Å
416	H	98.9	Very high	98.5	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.014	6%	0.059	C	C	.	.			trans	-57.7	129.4	160.2	-175.9	67.1	0	0	0	109.1	W379 D380 W411 F418	W379-H416 PolarHBondContact O-ND1 2.9Å; D380-H416 IonicContact OD1-CE1 2.85Å; D380-H416 PolarHBondContact OD1-CE1 2.98Å; D380-H416 IonicContact OD1-ND1 3.78Å; D380-H416 PolarHBondContact OD1-ND1 3.43Å; W411-H416 HydrophobicContact CB-CB 4.44Å; W411-H416 HydrophobicContact CE3-CB 3.87Å; W411-H416 AromaticContact CE3-CD2 3.8Å; W411-H416 AromaticContact CE3-CG 3.57Å; W411-H416 AromaticContact CE3-ND1 3.93Å; W411-H416 AromaticContact CZ3-CE1 3.91Å; W411-H416 AromaticContact CZ3-CG 3.91Å; W411-H416 AromaticContact CZ3-ND1 3.81Å; W411-H416 WeakPolarHBondContact O-CB 3.07Å; W411-H416 PolarHBondContact O-N 3.13Å; H416-F418 HydrophobicContact CB-CD2 4.23Å; H416-F418 HydrophobicContact CB-CE2 4Å; H416-F418 AromaticContact CD2-CD1 3.89Å; H416-F418 AromaticContact CD2-CD2 3.79Å; H416-F418 AromaticContact CD2-CE1 3.9Å; H416-F418 AromaticContact CD2-CE2 3.79Å; H416-F418 AromaticContact CD2-CG 3.84Å; H416-F418 AromaticContact CD2-CZ 3.85Å; H416-F418 WeakPolarHBondContact O-CD2 3.44Å; H416-F418 PolarHBondContact O-N 3.25Å
417	K	98.8	Very high	98.3	Very high	38 Å²	38	16.1 Å²	16.1	17%	0.165	9%	0.085	C	C	.	.			trans	-79.6	61.6	-172.2	-66.5	-172.1	162.8	179.8	0	112.6	W379 G415 A419 S420 R421 N481	W379-K417 HydrophobicContact CD2-CD 4.4Å; W379-K417 HydrophobicContact CD2-CG 4.3Å; W379-K417 HydrophobicContact CH2-CD 4.01Å; W379-K417 HydrophobicContact CZ2-CD 3.71Å; W379-K417 HydrophobicContact CZ2-CG 4.47Å; W379-K417 VanDerWaalsContact CZ2-NZ 3.35Å; W379-K417 HydrophobicContact CZ3-CD 4.46Å; G415-K417 PolarHBondContact O-N 3.25Å; K417-A419 VanDerWaalsContact C-N 3.33Å; K417-A419 PolarHBondContact O-N 2.71Å; K417-S420 PolarHBondContact O-N 3.42Å; K417-S420 VanDerWaalsContact O-N 3.13Å; K417-R421 HydrophobicContact CB-CG 4.44Å; K417-R421 WeakPolarHBondContact O-CB 3.39Å; K417-R421 WeakPolarHBondContact O-CG 3.42Å; K417-R421 PolarHBondContact O-N 2.79Å; K417-N481 VanDerWaalsContact CA-OD1 3.23Å; K417-N481 WeakPolarHBondContact CA-OD1 3.36Å; K417-N481 HydrophobicContact CB-CB 4.29Å; K417-N481 WeakPolarHBondContact CB-OD1 3.27Å; K417-N481 HydrophobicContact CG-CB 4.15Å; K417-N481 PolarHBondContact O-OD1 2.72Å
418	F	98.9	Very high	98.2	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-51.3	-49.2	-176.6	-77.7	-82.1	0	0	0	112.6	W411 I412 H416 S420 R421 I422 F438 L470 F478	W411-F418 HydrophobicContact CB-CE2 4.01Å; W411-F418 HydrophobicContact CB-CZ 4Å; W411-F418 HydrophobicContact CE3-CZ 4.43Å; I412-F418 HydrophobicContact CG1-CD2 4.38Å; I412-F418 HydrophobicContact CG1-CE2 3.71Å; I412-F418 HydrophobicContact CG1-CZ 4.41Å; H416-F418 HydrophobicContact CB-CD2 4.23Å; H416-F418 HydrophobicContact CB-CE2 4Å; H416-F418 AromaticContact CD2-CD1 3.89Å; H416-F418 AromaticContact CD2-CD2 3.79Å; H416-F418 AromaticContact CD2-CE1 3.9Å; H416-F418 AromaticContact CD2-CE2 3.79Å; H416-F418 AromaticContact CD2-CG 3.84Å; H416-F418 AromaticContact CD2-CZ 3.85Å; H416-F418 WeakPolarHBondContact O-CD2 3.44Å; H416-F418 PolarHBondContact O-N 3.25Å; F418-S420 VanDerWaalsContact C-N 3.33Å; F418-S420 PolarHBondContact O-N 3.09Å; F418-R421 PolarHBondContact O-N 3.28Å; F418-I422 WeakPolarHBondContact O-CB 3.38Å; F418-I422 VanDerWaalsContact O-CG1 3.25Å; F418-I422 WeakPolarHBondContact O-CG1 3.49Å; F418-I422 PolarHBondContact O-N 3Å; F418-F438 HydrophobicContact CE1-CB 3.96Å; F418-F438 AromaticContact CE1-CD1 3.77Å; F418-F438 HydrophobicContact CE1-CD1 3.77Å; F418-F438 AromaticContact CE1-CD2 3.97Å; F418-F438 HydrophobicContact CE1-CD2 3.97Å; F418-F438 HydrophobicContact CE1-CE1 4.2Å; F418-F438 HydrophobicContact CE1-CE2 4.38Å; F418-F438 AromaticContact CE1-CG 3.63Å; F418-F438 HydrophobicContact CE1-CG 3.63Å; F418-F438 HydrophobicContact CE1-CZ 4.49Å; F418-F438 HydrophobicContact CZ-CD1 4.41Å; F418-F438 AromaticContact CZ-CD2 3.9Å; F418-F438 HydrophobicContact CZ-CD2 3.9Å; F418-F438 HydrophobicContact CZ-CE2 4.08Å; F418-F438 HydrophobicContact CZ-CG 4.07Å; F418-F438 HydrophobicContact CZ-CZ 4.4Å; F418-L470 HydrophobicContact CD1-CD1 3.59Å; F418-L470 HydrophobicContact CE1-CD1 3.77Å; F418-F478 WeakPolarHBondContact CB-O 3.37Å; F418-F478 HydrophobicContact CD1-CB 4.06Å; F418-F478 AromaticContact CD1-CD1 3.87Å; F418-F478 HydrophobicContact CD1-CD1 3.87Å; F418-F478 HydrophobicContact CD1-CG 4.29Å; F418-F478 HydrophobicContact CE1-CB 4.48Å; F418-F478 AromaticContact CE1-CD1 3.43Å; F418-F478 HydrophobicContact CE1-CD1 3.43Å; F418-F478 VanDerWaalsContact CE1-CD1 3.43Å; F418-F478 AromaticContact CE1-CE1 3.97Å; F418-F478 HydrophobicContact CE1-CE1 3.97Å; F418-F478 HydrophobicContact CE1-CG 4.22Å; F418-F478 HydrophobicContact CE2-CD1 4.15Å; F418-F478 HydrophobicContact CG-CB 4.35Å; F418-F478 HydrophobicContact CG-CD1 4.39Å; F418-F478 AromaticContact CZ-CD1 3.6Å; F418-F478 HydrophobicContact CZ-CD1 3.6Å; F418-F478 AromaticContact CZ-CE1 3.92Å; F418-F478 HydrophobicContact CZ-CE1 3.92Å
419	A	98.4	Very high	98	Very high	28 Å²	28	22.3 Å²	22.3	23%	0.231	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-42	-179.9	0	0	0	0	0	113.3	K417 G423 F480 N481	K417-A419 VanDerWaalsContact C-N 3.33Å; K417-A419 PolarHBondContact O-N 2.71Å; A419-G423 VanDerWaalsContact O-CA 3.27Å; A419-G423 WeakPolarHBondContact O-CA 3.45Å; A419-G423 PolarHBondContact O-N 3.28Å; A419-F480 PolarHBondContact N-O 3.24Å; A419-N481 WeakPolarHBondContact CB-OD1 3.26Å; A419-N481 PolarHBondContact N-OD1 2.73Å; A419-N481 VanDerWaalsContact N-OD1 3.14Å
420	S	98.4	Very high	97.9	Very high	29 Å²	29	27.2 Å²	27.2	20%	0.203	15%	0.146	C	C	.	.	H	α-helix	trans	-73.2	-40.3	176.7	-61.3	0	0	0	0	112.8	K417 F418 I422 N481	K417-S420 PolarHBondContact O-N 3.42Å; K417-S420 VanDerWaalsContact O-N 3.13Å; F418-S420 VanDerWaalsContact C-N 3.33Å; F418-S420 PolarHBondContact O-N 3.09Å; S420-I422 VanDerWaalsContact C-N 3.32Å; S420-I422 PolarHBondContact O-N 2.85Å; S420-N481 PolarHBondContact N-OD1 3.14Å; S420-N481 VanDerWaalsContact N-OD1 3.08Å; S420-N481 PolarHBondContact OG-ND2 3.32Å
421	R	98.8	Very high	97.8	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.038	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-30.7	-177.8	-68	-74.9	173.1	-92.2	-0	112.4	D380 K417 F418 D433 R434 S435	D380-R421 IonicContact OD1-CZ 3.02Å; D380-R421 IonicContact OD1-NE 2.83Å; D380-R421 PolarHBondContact OD1-NE 3.22Å; D380-R421 IonicContact OD1-NH2 2.92Å; D380-R421 IonicContact OD2-CZ 3.77Å; D380-R421 IonicContact OD2-NE 2.7Å; D380-R421 IonicContact OD2-NH2 2.73Å; D380-R421 PolarHBondContact OD2-NH2 3.47Å; K417-R421 HydrophobicContact CB-CG 4.44Å; K417-R421 WeakPolarHBondContact O-CB 3.39Å; K417-R421 WeakPolarHBondContact O-CG 3.42Å; K417-R421 PolarHBondContact O-N 2.79Å; F418-R421 PolarHBondContact O-N 3.28Å; R421-D433 WeakPolarHBondContact CD-O 3.44Å; R421-D433 PolarHBondContact NH1-O 3.2Å; R421-D433 IonicContact NH1-OD1 3.78Å; R421-D433 PolarHBondContact NH1-OD1 2.91Å; R421-R434 CarbonylContact O-C 3.5Å; R421-R434 VanDerWaalsContact O-CA 3.26Å; R421-R434 WeakPolarHBondContact O-CA 3.41Å; R421-S435 PolarHBondContact O-N 3.13Å
422	I	98.4	Very high	97.7	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.046	18%	0.176	C	C	.	.	H	α-helix	trans	-101.4	-28.6	-177.7	-52.8	-58.2	0	0	0	112.9	K114 F418 S420 H424 L470 Y471	K114-I422 HydrophobicContact CD-CG2 4.39Å; K114-I422 WeakPolarHBondContact CE-O 3.18Å; K114-I422 PolarHBondContact NZ-O 3.12Å; F418-I422 WeakPolarHBondContact O-CB 3.38Å; F418-I422 VanDerWaalsContact O-CG1 3.25Å; F418-I422 WeakPolarHBondContact O-CG1 3.49Å; F418-I422 PolarHBondContact O-N 3Å; S420-I422 VanDerWaalsContact C-N 3.32Å; S420-I422 PolarHBondContact O-N 2.85Å; I422-H424 VanDerWaalsContact CB-CE1 3.44Å; I422-H424 WeakPolarHBondContact CB-CE1 3.5Å; I422-H424 WeakPolarHBondContact CG2-CE1 3.18Å; I422-L470 HydrophobicContact CD1-CD1 3.95Å; I422-L470 HydrophobicContact CD1-CD2 3.75Å; I422-L470 HydrophobicContact CD1-CG 3.84Å; I422-L470 HydrophobicContact CG1-CD1 3.92Å; I422-L470 HydrophobicContact CG1-CG 4.16Å; I422-Y471 HydrophobicContact CD1-CE1 3.89Å; I422-Y471 HydrophobicContact CG2-CD1 3.51Å; I422-Y471 HydrophobicContact CG2-CE1 3.88Å
423	G	98.2	Very high	97.7	Very high	4 Å²	4	34.3 Å²	34.3	4%	0.041	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	58.7	-173.5	0	0	0	0	0	111.9	K114 A419 G425	K114-G423 PolarHBondContact NZ-O 2.81Å; K114-G423 VanDerWaalsContact NZ-O 3.07Å; A419-G423 VanDerWaalsContact O-CA 3.27Å; A419-G423 WeakPolarHBondContact O-CA 3.45Å; A419-G423 PolarHBondContact O-N 3.28Å; G423-G425 PolarHBondContact O-N 3.33Å
424	H	98.3	Very high	97.7	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.037	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	120.6	178.4	-61.3	-50	0	0	0	110.6	L144 L150 I422 D426 L470 C473 F478 L479	L144-H424 VanDerWaalsContact CD1-O 3.24Å; L144-H424 WeakPolarHBondContact CD1-O 3.48Å; L150-H424 HydrophobicContact CD1-CB 4.38Å; L150-H424 HydrophobicContact CD2-CB 4.45Å; I422-H424 VanDerWaalsContact CB-CE1 3.44Å; I422-H424 WeakPolarHBondContact CB-CE1 3.5Å; I422-H424 WeakPolarHBondContact CG2-CE1 3.18Å; H424-D426 PolarHBondContact O-N 3.42Å; H424-D426 VanDerWaalsContact O-N 3.1Å; H424-L470 PolarHBondContact CE1-O 3.36Å; H424-C473 PolarHBondContact ND1-SG 3.15Å; H424-F478 PolarHBondContact NE2-O 2.85Å; H424-L479 HydrophobicContact CB-CD2 4.49Å
425	G	96.3	Very high	97.7	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	19.3	176.6	0	0	0	0	0	116.1	F142 L144 A145 G423	F142-G425 CarbonylContact C-O 3.59Å; F142-G425 VanDerWaalsContact CA-O 3.24Å; F142-G425 WeakPolarHBondContact CA-O 3.22Å; L144-G425 WeakPolarHBondContact CB-O 3.32Å; L144-G425 PolarHBondContact N-O 3.29Å; L144-G425 VanDerWaalsContact N-O 3.11Å; A145-G425 PolarHBondContact N-O 3.27Å; G423-G425 PolarHBondContact O-N 3.33Å
426	D	96.6	Very high	97.7	Very high	57 Å²	57	36 Å²	36	31%	0.305	20%	0.199	S	C	.	.			trans	-107.3	130.9	176.4	-174.7	-9.9	0	0	0	110.5	F142 H424 N428 R434	F142-D426 WeakPolarHBondContact CD1-O 3.33Å; H424-D426 PolarHBondContact O-N 3.42Å; H424-D426 VanDerWaalsContact O-N 3.1Å; D426-N428 VanDerWaalsContact C-N 3.32Å; D426-N428 PolarHBondContact O-N 3.36Å; D426-N428 WeakPolarHBondContact OD1-CB 3.11Å; D426-N428 PolarHBondContact OD1-N 2.9Å; D426-R434 PolarHBondContact O-NH2 3.48Å
427	K	95	Very high	97.7	Very high	125 Å²	125	36 Å²	36	54%	0.543	20%	0.199	S	C	.	.			trans	-73.3	-16.9	178.5	69.1	-179.1	-179.2	-175.2	0	114.1	F142 A145 H429	F142-K427 HydrophobicContact CB-CB 3.99Å; F142-K427 HydrophobicContact CD1-CB 4.23Å; F142-K427 HydrophobicContact CD2-CB 3.84Å; F142-K427 HydrophobicContact CE2-CB 4.4Å; F142-K427 HydrophobicContact CG-CB 3.74Å; A145-K427 HydrophobicContact CB-CB 4.28Å; A145-K427 HydrophobicContact CB-CD 3.99Å; A145-K427 HydrophobicContact CB-CG 3.92Å; K427-H429 VanDerWaalsContact C-N 3.29Å; K427-H429 PolarHBondContact O-N 3.16Å
428	N	97.1	Very high	97.7	Very high	70 Å²	70	34.3 Å²	34.3	37%	0.374	19%	0.192	S	C	.	.			trans	-74	77.6	-177.7	-175.7	11.5	0	0	0	111.8	D426 T430 D431 R434	D426-N428 VanDerWaalsContact C-N 3.32Å; D426-N428 PolarHBondContact O-N 3.36Å; D426-N428 WeakPolarHBondContact OD1-CB 3.11Å; D426-N428 PolarHBondContact OD1-N 2.9Å; N428-T430 PolarHBondContact O-N 3Å; N428-T430 PolarHBondContact OD1-N 3.37Å; N428-T430 PolarHBondContact OD1-OG1 3.36Å; N428-D431 WeakPolarHBondContact O-CB 3.39Å; N428-D431 PolarHBondContact O-N 3.11Å; N428-D431 PolarHBondContact OD1-N 3.05Å; N428-R434 PolarHBondContact O-NE 2.79Å; N428-R434 VanDerWaalsContact O-NE 3.15Å; N428-R434 PolarHBondContact O-NH2 2.8Å
429	H	94.7	Very high	97.7	Very high	72 Å²	72	34.4 Å²	34.4	33%	0.333	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.1	-179.2	73.6	84.6	0	0	0	114.2	S91 R92 K427	S91-H429 WeakPolarHBondContact O-CB 3.46Å; R92-H429 HydrophobicContact CB-CB 4.33Å; R92-H429 PolarHBondContact NE-NE2 2.9Å; K427-H429 VanDerWaalsContact C-N 3.29Å; K427-H429 PolarHBondContact O-N 3.16Å
430	T	96.1	Very high	97.7	Very high	104 Å²	104	33 Å²	33	64%	0.638	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.2	177.7	47.7	0	0	0	0	113.8	N428 A432	N428-T430 PolarHBondContact O-N 3Å; N428-T430 PolarHBondContact OD1-N 3.37Å; N428-T430 PolarHBondContact OD1-OG1 3.36Å; T430-A432 PolarHBondContact O-N 3.45Å; T430-A432 VanDerWaalsContact O-N 3.15Å
431	D	97.4	Very high	97.7	Very high	41 Å²	41	31.7 Å²	31.7	22%	0.219	17%	0.171	C	C	.	.			trans	-54.8	121.2	179.3	-174.8	-5.2	0	0	0	111.4	N428 D433 R434	N428-D431 WeakPolarHBondContact O-CB 3.39Å; N428-D431 PolarHBondContact O-N 3.11Å; N428-D431 PolarHBondContact OD1-N 3.05Å; D431-D433 PolarHBondContact O-N 3.13Å; D431-D433 PolarHBondContact OD1-N 3.06Å; D431-R434 HydrophobicContact CB-CG 4.14Å; D431-R434 PolarHBondContact O-N 3.48Å; D431-R434 VanDerWaalsContact O-N 3.17Å
432	A	96.9	Very high	97.7	Very high	49 Å²	49	31.2 Å²	31.2	41%	0.405	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.7	-177.7	0	0	0	0	0	112.8	H315 R318 T430	H315-A432 PolarHBondContact CE1-O 3.42Å; H315-A432 PolarHBondContact ND1-O 3.18Å; H315-A432 VanDerWaalsContact ND1-O 3.11Å; R318-A432 VanDerWaalsContact NH1-CA 3.32Å; R318-A432 PolarHBondContact NH1-O 3.01Å; T430-A432 PolarHBondContact O-N 3.45Å; T430-A432 VanDerWaalsContact O-N 3.15Å
433	D	97.6	Very high	97.8	Very high	68 Å²	68	30.8 Å²	30.8	36%	0.364	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.2	175.3	-91.6	-41.7	0	0	0	114.1	R421 D431 S435	R421-D433 WeakPolarHBondContact CD-O 3.44Å; R421-D433 PolarHBondContact NH1-O 3.2Å; R421-D433 IonicContact NH1-OD1 3.78Å; R421-D433 PolarHBondContact NH1-OD1 2.91Å; D431-D433 PolarHBondContact O-N 3.13Å; D431-D433 PolarHBondContact OD1-N 3.06Å; D433-S435 PolarHBondContact O-N 2.86Å
434	R	98.6	Very high	97.8	Very high	21 Å²	21	30.6 Å²	30.6	8%	0.079	17%	0.165	C	C	.	.			trans	-71.5	129.6	177.3	-65.7	-179	-172.1	-154.7	-0.3	111	R318 R421 D426 N428 D431	R318-R434 WeakPolarHBondContact CD-O 3.46Å; R318-R434 PolarHBondContact NH1-O 2.81Å; R421-R434 CarbonylContact O-C 3.5Å; R421-R434 VanDerWaalsContact O-CA 3.26Å; R421-R434 WeakPolarHBondContact O-CA 3.41Å; D426-R434 PolarHBondContact O-NH2 3.48Å; N428-R434 PolarHBondContact O-NE 2.79Å; N428-R434 VanDerWaalsContact O-NE 3.15Å; N428-R434 PolarHBondContact O-NH2 2.8Å; D431-R434 HydrophobicContact CB-CG 4.14Å; D431-R434 PolarHBondContact O-N 3.48Å; D431-R434 VanDerWaalsContact O-N 3.17Å
435	S	98.8	Very high	97.8	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	16%	0.164	C	C	.	.			trans	-165.3	143.8	-177.2	-172.2	0	0	0	0	112.7	I314 R421 D433 I437	I314-S435 WeakPolarHBondContact CA-OG 3.43Å; I314-S435 WeakPolarHBondContact CB-OG 3.28Å; I314-S435 WeakPolarHBondContact O-CB 3.42Å; I314-S435 PolarHBondContact O-OG 3.32Å; R421-S435 PolarHBondContact O-N 3.13Å; D433-S435 PolarHBondContact O-N 2.86Å; S435-I437 PolarHBondContact O-N 3.47Å
436	P	98.7	Very high	97.9	Very high	10 Å²	10	30.5 Å²	30.5	7%	0.065	16%	0.164	C	C	.	.			trans	-83.9	43.4	-171.9	36.4	-39.3	0	0	0	114.3	M317 L321 W346 F438 L439 Q440	M317-P436 HydrophobicContact CB-CG 4.39Å; L321-P436 HydrophobicContact CB-CG 3.91Å; L321-P436 HydrophobicContact CD2-CB 3.49Å; L321-P436 VanDerWaalsContact CD2-CB 3.49Å; L321-P436 HydrophobicContact CD2-CG 3.72Å; L321-P436 HydrophobicContact CG-CG 4.44Å; W346-P436 HydrophobicContact CH2-CB 4.26Å; W346-P436 HydrophobicContact CH2-CG 3.98Å; W346-P436 HydrophobicContact CZ3-CG 4Å; P436-F438 PolarHBondContact O-N 3.38Å; P436-L439 HydrophobicContact CB-CB 4.03Å; P436-L439 HydrophobicContact CB-CD2 4.02Å; P436-L439 HydrophobicContact CB-CG 4.46Å; P436-L439 WeakPolarHBondContact O-CB 3.32Å; P436-L439 PolarHBondContact O-N 3.43Å; P436-Q440 WeakPolarHBondContact O-CG 3.34Å; P436-Q440 PolarHBondContact O-N 3.25Å
437	I	98.9	Very high	98	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-45	-172.7	-58.4	-54.7	0	0	0	112.5	I314 M317 D380 Q384 W411 S435 Q440 F441	I314-I437 HydrophobicContact CG2-CD1 4.08Å; I314-I437 HydrophobicContact CG2-CG1 4.07Å; M317-I437 HydrophobicContact CB-CD1 4.25Å; M317-I437 HydrophobicContact CG-CD1 4.07Å; D380-I437 HydrophobicContact CB-CG1 4.39Å; D380-I437 HydrophobicContact CB-CG2 3.97Å; Q384-I437 HydrophobicContact CG-CG2 4.03Å; Q384-I437 PolarHBondContact NE2-O 3.04Å; W411-I437 HydrophobicContact CH2-CG2 4.14Å; W411-I437 HydrophobicContact CZ3-CG2 4.04Å; S435-I437 PolarHBondContact O-N 3.47Å; I437-Q440 PolarHBondContact O-N 3.49Å; I437-F441 PolarHBondContact O-N 2.81Å
438	F	98.9	Very high	98.2	Very high	3 Å²	3	22 Å²	22	1%	0.013	12%	0.124	C	C	.	.	H	α-helix	trans	-69.5	-33.9	175.8	-169.7	-114.4	0	0	0	112.1	V407 W411 F418 P436 F441 I442 I466 L470 F478	V407-F438 HydrophobicContact CG1-CE2 4.14Å; V407-F438 HydrophobicContact CG1-CZ 3.87Å; V407-F438 HydrophobicContact CG2-CE2 4.3Å; V407-F438 HydrophobicContact CG2-CZ 4.12Å; W411-F438 HydrophobicContact CB-CE2 4.44Å; W411-F438 AromaticContact CD2-CD2 3.52Å; W411-F438 HydrophobicContact CD2-CD2 3.52Å; W411-F438 AromaticContact CD2-CE2 3.77Å; W411-F438 HydrophobicContact CD2-CE2 3.77Å; W411-F438 AromaticContact CE2-CD2 3.86Å; W411-F438 HydrophobicContact CE3-CB 4.41Å; W411-F438 AromaticContact CE3-CD2 3.44Å; W411-F438 HydrophobicContact CE3-CD2 3.44Å; W411-F438 VanDerWaalsContact CE3-CD2 3.44Å; W411-F438 HydrophobicContact CE3-CE2 4.15Å; W411-F438 HydrophobicContact CE3-CG 4.36Å; W411-F438 HydrophobicContact CG-CD2 4.11Å; W411-F438 AromaticContact CG-CE2 3.89Å; W411-F438 HydrophobicContact CG-CE2 3.89Å; W411-F438 HydrophobicContact CH2-CD2 4.01Å; W411-F438 HydrophobicContact CZ2-CD2 4.13Å; W411-F438 HydrophobicContact CZ3-CB 4.03Å; W411-F438 AromaticContact CZ3-CD2 3.68Å; W411-F438 HydrophobicContact CZ3-CD2 3.68Å; W411-F438 HydrophobicContact CZ3-CG 4.36Å; F418-F438 HydrophobicContact CE1-CB 3.96Å; F418-F438 AromaticContact CE1-CD1 3.77Å; F418-F438 HydrophobicContact CE1-CD1 3.77Å; F418-F438 AromaticContact CE1-CD2 3.97Å; F418-F438 HydrophobicContact CE1-CD2 3.97Å; F418-F438 HydrophobicContact CE1-CE1 4.2Å; F418-F438 HydrophobicContact CE1-CE2 4.38Å; F418-F438 AromaticContact CE1-CG 3.63Å; F418-F438 HydrophobicContact CE1-CG 3.63Å; F418-F438 HydrophobicContact CE1-CZ 4.49Å; F418-F438 HydrophobicContact CZ-CD1 4.41Å; F418-F438 AromaticContact CZ-CD2 3.9Å; F418-F438 HydrophobicContact CZ-CD2 3.9Å; F418-F438 HydrophobicContact CZ-CE2 4.08Å; F418-F438 HydrophobicContact CZ-CG 4.07Å; F418-F438 HydrophobicContact CZ-CZ 4.4Å; P436-F438 PolarHBondContact O-N 3.38Å; F438-F441 AromaticContact CD2-CD1 3.82Å; F438-F441 HydrophobicContact CD2-CD1 3.82Å; F438-F441 AromaticContact CE2-CD1 3.61Å; F438-F441 HydrophobicContact CE2-CD1 3.61Å; F438-F441 AromaticContact CE2-CE1 3.88Å; F438-F441 HydrophobicContact CE2-CE1 3.88Å; F438-F441 HydrophobicContact CZ-CD1 4.34Å; F438-F441 HydrophobicContact CZ-CE1 4.45Å; F438-F441 WeakPolarHBondContact O-CB 3.44Å; F438-F441 PolarHBondContact O-N 3.41Å; F438-I442 HydrophobicContact CD1-CG1 4.26Å; F438-I442 HydrophobicContact CE1-CD1 4.15Å; F438-I442 HydrophobicContact CE1-CG1 4.01Å; F438-I442 HydrophobicContact CE2-CD1 4.46Å; F438-I442 HydrophobicContact CZ-CD1 3.96Å; F438-I442 HydrophobicContact CZ-CG1 4.25Å; F438-I442 WeakPolarHBondContact O-CG1 3.36Å; F438-I442 PolarHBondContact O-N 2.96Å; F438-I466 HydrophobicContact CE1-CG2 3.73Å; F438-I466 HydrophobicContact CZ-CG2 4.2Å; F438-L470 HydrophobicContact CD1-CD1 4.02Å; F438-L470 HydrophobicContact CD1-CD2 4.06Å; F438-F478 AromaticContact CE1-CE1 3.85Å; F438-F478 HydrophobicContact CE1-CE1 3.85Å; F438-F478 AromaticContact CE1-CZ 3.89Å; F438-F478 HydrophobicContact CE1-CZ 3.89Å; F438-F478 AromaticContact CZ-CE1 3.88Å; F438-F478 HydrophobicContact CZ-CE1 3.88Å; F438-F478 HydrophobicContact CZ-CZ 4.1Å
439	L	98.9	Very high	98.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-45	172.8	169	61.1	0	0	0	111.5	L321 W346 P436 F441 I442 D443 L467 Y537 Y538	L321-L439 HydrophobicContact CD1-CD2 4.17Å; L321-L439 HydrophobicContact CD2-CD2 3.84Å; W346-L439 HydrophobicContact CZ2-CG 4.49Å; P436-L439 HydrophobicContact CB-CB 4.03Å; P436-L439 HydrophobicContact CB-CD2 4.02Å; P436-L439 HydrophobicContact CB-CG 4.46Å; P436-L439 WeakPolarHBondContact O-CB 3.32Å; P436-L439 PolarHBondContact O-N 3.43Å; L439-F441 VanDerWaalsContact C-N 3.25Å; L439-F441 PolarHBondContact O-N 3.46Å; L439-I442 PolarHBondContact O-N 2.87Å; L439-D443 WeakPolarHBondContact O-CB 3.4Å; L439-D443 PolarHBondContact O-N 3.47Å; L439-L467 HydrophobicContact CB-CD2 4.28Å; L439-L467 HydrophobicContact CD1-CD1 3.54Å; L439-L467 HydrophobicContact CD1-CD2 3.86Å; L439-L467 HydrophobicContact CD1-CG 4.33Å; L439-Y537 HydrophobicContact CD1-CD1 3.97Å; L439-Y537 HydrophobicContact CD1-CE1 3.33Å; L439-Y537 HydrophobicContact CD2-CE1 3.99Å; L439-Y537 HydrophobicContact CG-CE1 4.33Å; L439-Y538 HydrophobicContact CD2-CE1 4.23Å
440	Q	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-36.7	174.6	-76	-176.4	-33.1	0	0	112.6	M317 W346 I350 P436 I437 C444	M317-Q440 PolarHBondContact SD-NE2 2.7Å; W346-Q440 HydrophobicContact CH2-CG 3.29Å; W346-Q440 HydrophobicContact CZ2-CG 3.73Å; W346-Q440 HydrophobicContact CZ3-CG 3.9Å; I350-Q440 HydrophobicContact CD1-CB 4.12Å; I350-Q440 HydrophobicContact CD1-CG 4.14Å; P436-Q440 WeakPolarHBondContact O-CG 3.34Å; P436-Q440 PolarHBondContact O-N 3.25Å; I437-Q440 PolarHBondContact O-N 3.49Å; Q440-C444 PolarHBondContact O-N 3.37Å; Q440-C444 PolarHBondContact O-SG 3.05Å
441	F	98.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-50.7	173.7	161.3	-108.7	0	0	0	111.6	Q384 S387 L388 L391 F403 L406 V407 W411 I437 F438 L439 D443 C444 V445	Q384-F441 HydrophobicContact CG-CB 4.38Å; S387-F441 WeakPolarHBondContact OG-CD2 3.44Å; S387-F441 WeakPolarHBondContact OG-CE2 3.27Å; L388-F441 HydrophobicContact CD2-CD2 3.9Å; L388-F441 HydrophobicContact CD2-CE2 3.96Å; L388-F441 HydrophobicContact CG-CD2 3.89Å; L388-F441 HydrophobicContact CG-CE2 4.13Å; L391-F441 HydrophobicContact CD1-CE2 4.12Å; L391-F441 HydrophobicContact CD1-CZ 4.29Å; F403-F441 HydrophobicContact CE2-CE1 4.34Å; F403-F441 AromaticContact CE2-CZ 3.92Å; F403-F441 HydrophobicContact CE2-CZ 3.92Å; F403-F441 AromaticContact CZ-CE1 3.76Å; F403-F441 HydrophobicContact CZ-CE1 3.76Å; F403-F441 AromaticContact CZ-CZ 3.81Å; F403-F441 HydrophobicContact CZ-CZ 3.81Å; L406-F441 HydrophobicContact CD2-CZ 4.36Å; V407-F441 HydrophobicContact CG2-CE1 4.32Å; W411-F441 AromaticContact CE2-CD1 3.8Å; W411-F441 AromaticContact CE2-CG 3.82Å; W411-F441 HydrophobicContact CH2-CB 3.56Å; W411-F441 HydrophobicContact CH2-CD1 4.48Å; W411-F441 HydrophobicContact CH2-CG 4.06Å; W411-F441 HydrophobicContact CZ2-CB 3.28Å; W411-F441 AromaticContact CZ2-CD1 3.68Å; W411-F441 HydrophobicContact CZ2-CD1 3.68Å; W411-F441 AromaticContact CZ2-CD2 3.73Å; W411-F441 HydrophobicContact CZ2-CD2 3.73Å; W411-F441 HydrophobicContact CZ2-CE1 4.44Å; W411-F441 HydrophobicContact CZ2-CE2 4.49Å; W411-F441 AromaticContact CZ2-CG 3.26Å; W411-F441 HydrophobicContact CZ2-CG 3.26Å; W411-F441 AromaticContact NE1-CD1 3.82Å; W411-F441 AromaticContact NE1-CE1 3.72Å; W411-F441 AromaticContact NE1-CZ 3.85Å; I437-F441 PolarHBondContact O-N 2.81Å; F438-F441 AromaticContact CD2-CD1 3.82Å; F438-F441 HydrophobicContact CD2-CD1 3.82Å; F438-F441 AromaticContact CE2-CD1 3.61Å; F438-F441 HydrophobicContact CE2-CD1 3.61Å; F438-F441 AromaticContact CE2-CE1 3.88Å; F438-F441 HydrophobicContact CE2-CE1 3.88Å; F438-F441 HydrophobicContact CZ-CD1 4.34Å; F438-F441 HydrophobicContact CZ-CE1 4.45Å; F438-F441 WeakPolarHBondContact O-CB 3.44Å; F438-F441 PolarHBondContact O-N 3.41Å; L439-F441 VanDerWaalsContact C-N 3.25Å; L439-F441 PolarHBondContact O-N 3.46Å; F441-D443 VanDerWaalsContact C-N 3.28Å; F441-D443 PolarHBondContact O-N 3.33Å; F441-C444 WeakPolarHBondContact O-CB 3.29Å; F441-C444 PolarHBondContact O-N 3.46Å; F441-C444 VanDerWaalsContact O-N 3.11Å; F441-V445 HydrophobicContact CD2-CG2 4.12Å; F441-V445 HydrophobicContact CE1-CG2 4.29Å; F441-V445 HydrophobicContact CE2-CG2 3.66Å; F441-V445 HydrophobicContact CZ-CG2 3.76Å; F441-V445 WeakPolarHBondContact O-CG2 3.39Å; F441-V445 PolarHBondContact O-N 3.36Å
442	I	98.9	Very high	98.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-36	179.1	-59.4	-62.2	0	0	0	111.4	F403 F438 L439 V445 W446 L463 I466 L467 W534	F403-I442 HydrophobicContact CE1-CD1 4.11Å; F403-I442 HydrophobicContact CZ-CD1 3.83Å; F438-I442 HydrophobicContact CD1-CG1 4.26Å; F438-I442 HydrophobicContact CE1-CD1 4.15Å; F438-I442 HydrophobicContact CE1-CG1 4.01Å; F438-I442 HydrophobicContact CE2-CD1 4.46Å; F438-I442 HydrophobicContact CZ-CD1 3.96Å; F438-I442 HydrophobicContact CZ-CG1 4.25Å; F438-I442 WeakPolarHBondContact O-CG1 3.36Å; F438-I442 PolarHBondContact O-N 2.96Å; L439-I442 PolarHBondContact O-N 2.87Å; I442-V445 WeakPolarHBondContact O-CB 3.22Å; I442-V445 PolarHBondContact O-N 2.97Å; I442-W446 PolarHBondContact O-N 3.26Å; I442-L463 HydrophobicContact CG2-CB 3.75Å; I442-L463 HydrophobicContact CG2-CD2 4.15Å; I442-L463 HydrophobicContact CG2-CG 4.38Å; I442-I466 HydrophobicContact CD1-CG2 4.21Å; I442-L467 HydrophobicContact CB-CD1 4.14Å; I442-L467 HydrophobicContact CB-CD2 4.03Å; I442-L467 HydrophobicContact CB-CG 4.24Å; I442-L467 HydrophobicContact CG1-CD2 3.89Å; I442-L467 HydrophobicContact CG1-CG 4.34Å; I442-L467 HydrophobicContact CG2-CD1 3.71Å; I442-L467 HydrophobicContact CG2-CD2 4.31Å; I442-L467 HydrophobicContact CG2-CG 3.96Å; I442-W534 HydrophobicContact CG2-CH2 3.84Å; I442-W534 HydrophobicContact CG2-CZ3 3.81Å
443	D	98.9	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-49.8	171.2	-169.5	-37.3	0	0	0	110.6	W346 I350 L439 F441 V445 W446 Q447 W534 Y538	W346-D443 PolarHBondContact NE1-OD2 3.13Å; I350-D443 HydrophobicContact CD1-CB 3.82Å; L439-D443 WeakPolarHBondContact O-CB 3.4Å; L439-D443 PolarHBondContact O-N 3.47Å; F441-D443 VanDerWaalsContact C-N 3.28Å; F441-D443 PolarHBondContact O-N 3.33Å; D443-V445 VanDerWaalsContact C-N 3.27Å; D443-V445 PolarHBondContact O-N 3.1Å; D443-W446 CarbonylContact O-C 3.49Å; D443-W446 WeakPolarHBondContact O-CA 3.3Å; D443-W446 VanDerWaalsContact O-CB 3.31Å; D443-W446 WeakPolarHBondContact O-CB 3.24Å; D443-W446 PolarHBondContact O-N 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.39Å; D443-Q447 PolarHBondContact O-N 2.66Å; D443-Q447 PolarHBondContact OD1-NE2 3.09Å; D443-W534 HydrophobicContact CB-CE3 4.44Å; D443-Y538 VanDerWaalsContact OD2-CE2 3.29Å; D443-Y538 WeakPolarHBondContact OD2-CE2 3.39Å; D443-Y538 PolarHBondContact OD2-OH 2.92Å
444	C	98.9	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.5	-37.7	175.1	-66.6	0	0	0	0	113	L354 L388 Q440 F441 Q447 M448	L354-C444 HydrophobicContact CD2-CB 3.81Å; L354-C444 HydrophobicContact CG-CB 4.01Å; L388-C444 HydrophobicContact CD1-CB 3.71Å; L388-C444 HydrophobicContact CD2-CB 3.65Å; L388-C444 HydrophobicContact CG-CB 4.35Å; Q440-C444 PolarHBondContact O-N 3.37Å; Q440-C444 PolarHBondContact O-SG 3.05Å; F441-C444 WeakPolarHBondContact O-CB 3.29Å; F441-C444 PolarHBondContact O-N 3.46Å; F441-C444 VanDerWaalsContact O-N 3.11Å; C444-Q447 PolarHBondContact O-N 3.44Å; C444-M448 WeakPolarHBondContact O-CG 3.33Å; C444-M448 PolarHBondContact O-N 2.91Å; C444-M448 VanDerWaalsContact O-N 3.11Å
445	V	98.9	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-42.9	174	177.4	0	0	0	0	110.7	L388 L391 F403 F441 I442 D443 M448 S449 F458 L463	L388-V445 HydrophobicContact CD2-CG2 4.04Å; L391-V445 HydrophobicContact CD1-CG2 3.68Å; F403-V445 HydrophobicContact CE2-CB 4.4Å; F403-V445 HydrophobicContact CE2-CG1 3.77Å; F403-V445 HydrophobicContact CE2-CG2 3.82Å; F403-V445 HydrophobicContact CZ-CG1 4.19Å; F403-V445 HydrophobicContact CZ-CG2 4.1Å; F441-V445 HydrophobicContact CD2-CG2 4.12Å; F441-V445 HydrophobicContact CE1-CG2 4.29Å; F441-V445 HydrophobicContact CE2-CG2 3.66Å; F441-V445 HydrophobicContact CZ-CG2 3.76Å; F441-V445 WeakPolarHBondContact O-CG2 3.39Å; F441-V445 PolarHBondContact O-N 3.36Å; I442-V445 WeakPolarHBondContact O-CB 3.22Å; I442-V445 PolarHBondContact O-N 2.97Å; D443-V445 VanDerWaalsContact C-N 3.27Å; D443-V445 PolarHBondContact O-N 3.1Å; V445-M448 HydrophobicContact CG2-CE 4.37Å; V445-M448 PolarHBondContact O-N 3.44Å; V445-S449 PolarHBondContact O-N 3.44Å; V445-F458 HydrophobicContact CG1-CE2 3.75Å; V445-F458 HydrophobicContact CG1-CZ 3.73Å; V445-L463 HydrophobicContact CG1-CD1 4.15Å; V445-L463 HydrophobicContact CG1-CD2 3.88Å
446	W	98.8	Very high	97.9	Very high	9 Å²	9	17.4 Å²	17.4	3%	0.034	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-46.6	174	176	84.7	0	0	0	111.4	I442 D443 M448 S449 K450 E460 L463 E532 W534	I442-W446 PolarHBondContact O-N 3.26Å; D443-W446 CarbonylContact O-C 3.49Å; D443-W446 WeakPolarHBondContact O-CA 3.3Å; D443-W446 VanDerWaalsContact O-CB 3.31Å; D443-W446 WeakPolarHBondContact O-CB 3.24Å; D443-W446 PolarHBondContact O-N 3.29Å; W446-M448 VanDerWaalsContact C-N 3.29Å; W446-M448 PolarHBondContact O-N 3.16Å; W446-S449 WeakPolarHBondContact CA-OG 3.48Å; W446-S449 PolarHBondContact O-N 2.91Å; W446-S449 PolarHBondContact O-OG 2.7Å; W446-K450 HydrophobicContact CD2-CG 4.04Å; W446-K450 HydrophobicContact CE3-CG 4.42Å; W446-K450 HydrophobicContact CH2-CG 4.21Å; W446-K450 HydrophobicContact CZ2-CD 3.92Å; W446-K450 HydrophobicContact CZ2-CG 3.83Å; W446-K450 HydrophobicContact CZ3-CG 4.49Å; W446-K450 WeakPolarHBondContact O-CG 3.37Å; W446-K450 PolarHBondContact O-N 2.65Å; W446-E460 PolarHBondContact NE1-OE1 3.1Å; W446-L463 HydrophobicContact CB-CD1 3.9Å; W446-E532 HydrophobicContact CH2-CB 3.81Å; W446-E532 HydrophobicContact CZ3-CB 4.06Å; W446-E532 WeakPolarHBondContact CZ3-O 3.41Å; W446-W534 HydrophobicContact CB-CD2 4.12Å; W446-W534 HydrophobicContact CB-CE3 4.02Å; W446-W534 HydrophobicContact CB-CH2 4.27Å; W446-W534 HydrophobicContact CB-CZ2 4.33Å; W446-W534 HydrophobicContact CB-CZ3 4.11Å; W446-W534 AromaticContact CD1-CD1 3.89Å; W446-W534 AromaticContact CD1-CD2 3.91Å; W446-W534 AromaticContact CD1-CE2 3.44Å; W446-W534 VanDerWaalsContact CD1-CE2 3.44Å; W446-W534 AromaticContact CD1-CZ2 3.77Å; W446-W534 AromaticContact CD1-NE1 3.46Å; W446-W534 HydrophobicContact CD2-CB 3.94Å; W446-W534 AromaticContact CD2-CD1 3.77Å; W446-W534 AromaticContact CD2-CD2 3.87Å; W446-W534 HydrophobicContact CD2-CD2 3.87Å; W446-W534 HydrophobicContact CD2-CE3 4.47Å; W446-W534 AromaticContact CD2-CG 3.61Å; W446-W534 HydrophobicContact CD2-CG 3.61Å; W446-W534 AromaticContact CE2-CD1 3.29Å; W446-W534 AromaticContact CE2-CG 3.63Å; W446-W534 AromaticContact CE2-NE1 3.68Å; W446-W534 HydrophobicContact CE3-CB 3.75Å; W446-W534 HydrophobicContact CE3-CD2 4.42Å; W446-W534 AromaticContact CE3-CG 3.96Å; W446-W534 HydrophobicContact CE3-CG 3.96Å; W446-W534 AromaticContact CG-CD2 3.71Å; W446-W534 HydrophobicContact CG-CD2 3.71Å; W446-W534 AromaticContact CG-CE2 3.72Å; W446-W534 HydrophobicContact CG-CE3 4.11Å; W446-W534 AromaticContact CG-CG 3.99Å; W446-W534 HydrophobicContact CG-CG 3.99Å; W446-W534 HydrophobicContact CG-CZ2 4.13Å; W446-W534 AromaticContact CG-NE1 3.99Å; W446-W534 HydrophobicContact CH2-CB 4.01Å; W446-W534 HydrophobicContact CH2-CG 4.36Å; W446-W534 HydrophobicContact CZ2-CB 4.16Å; W446-W534 AromaticContact CZ2-CD1 3.59Å; W446-W534 HydrophobicContact CZ2-CG 4.01Å; W446-W534 HydrophobicContact CZ3-CB 3.8Å; W446-W534 HydrophobicContact CZ3-CG 4.32Å; W446-W534 AromaticContact NE1-CD1 3.35Å; W446-W534 AromaticContact NE1-CE2 3.71Å; W446-W534 AromaticContact NE1-CG 3.95Å; W446-W534 AromaticContact NE1-NE1 3.2Å
447	Q	98.8	Very high	97.9	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-55.3	-44.1	175.5	-57.4	-66.7	-21	0	0	111.7	I350 L354 D443 C444 K450 Q451 L531 E532	I350-Q447 HydrophobicContact CG2-CG 3.89Å; L354-Q447 HydrophobicContact CD1-CB 4Å; L354-Q447 HydrophobicContact CD1-CG 4.2Å; D443-Q447 WeakPolarHBondContact O-CG 3.39Å; D443-Q447 PolarHBondContact O-N 2.66Å; D443-Q447 PolarHBondContact OD1-NE2 3.09Å; C444-Q447 PolarHBondContact O-N 3.44Å; Q447-K450 PolarHBondContact O-N 3.45Å; Q447-Q451 WeakPolarHBondContact O-CG 3.44Å; Q447-Q451 PolarHBondContact O-N 3.44Å; Q447-Q451 VanDerWaalsContact O-N 3.15Å; Q447-L531 HydrophobicContact CB-CD2 4.02Å; Q447-L531 HydrophobicContact CG-CD2 3.91Å; Q447-E532 PolarHBondContact NE2-O 3.03Å; Q447-E532 VanDerWaalsContact OE1-N 3.12Å
448	M	98.7	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-42.1	176.1	-68.8	-169.9	-64.8	0	0	112	L354 L388 L391 M392 C444 V445 W446 K450 Q451 F452 F456 P524	L354-M448 HydrophobicContact CD2-CG 4.16Å; L354-M448 HydrophobicContact CD2-SD 4.47Å; L388-M448 HydrophobicContact CD2-CE 3.54Å; L391-M448 HydrophobicContact CB-CE 4.04Å; L391-M448 HydrophobicContact CD1-CE 3.91Å; M392-M448 HydrophobicContact CE-SD 3.81Å; M392-M448 HydrophobicContact CG-SD 4Å; C444-M448 WeakPolarHBondContact O-CG 3.33Å; C444-M448 PolarHBondContact O-N 2.91Å; C444-M448 VanDerWaalsContact O-N 3.11Å; V445-M448 HydrophobicContact CG2-CE 4.37Å; V445-M448 PolarHBondContact O-N 3.44Å; W446-M448 VanDerWaalsContact C-N 3.29Å; W446-M448 PolarHBondContact O-N 3.16Å; M448-K450 PolarHBondContact O-N 3.25Å; M448-Q451 PolarHBondContact O-N 3.41Å; M448-F452 WeakPolarHBondContact O-CD2 3.48Å; M448-F452 PolarHBondContact O-N 2.97Å; M448-F456 HydrophobicContact CB-CE2 3.93Å; M448-F456 HydrophobicContact CB-CZ 3.73Å; M448-F456 HydrophobicContact CE-CZ 4.32Å; M448-P524 HydrophobicContact CG-CB 4.12Å; M448-P524 HydrophobicContact CG-CG 3.92Å; M448-P524 HydrophobicContact SD-CG 4.14Å
449	S	97.3	Very high	97.7	Very high	23 Å²	23	19.5 Å²	19.5	16%	0.161	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-32.5	178.1	76.6	0	0	0	0	112.5	V445 W446 F452 P453	V445-S449 PolarHBondContact O-N 3.44Å; W446-S449 WeakPolarHBondContact CA-OG 3.48Å; W446-S449 PolarHBondContact O-N 2.91Å; W446-S449 PolarHBondContact O-OG 2.7Å; S449-F452 CarbonylContact O-C 3.51Å; S449-P453 WeakPolarHBondContact O-CA 3.2Å
450	K	96	Very high	97.5	Very high	105 Å²	105	21.9 Å²	21.9	46%	0.457	11%	0.114	S	C	.	.	H	α-helix	trans	-68.8	-42.7	174.2	-71.4	-69.1	-61.3	-172.8	0	112.5	W446 Q447 M448	W446-K450 HydrophobicContact CD2-CG 4.04Å; W446-K450 HydrophobicContact CE3-CG 4.42Å; W446-K450 HydrophobicContact CH2-CG 4.21Å; W446-K450 HydrophobicContact CZ2-CD 3.92Å; W446-K450 HydrophobicContact CZ2-CG 3.83Å; W446-K450 HydrophobicContact CZ3-CG 4.49Å; W446-K450 WeakPolarHBondContact O-CG 3.37Å; W446-K450 PolarHBondContact O-N 2.65Å; Q447-K450 PolarHBondContact O-N 3.45Å; M448-K450 PolarHBondContact O-N 3.25Å
451	Q	97.3	Very high	97.4	Very high	52 Å²	52	25.4 Å²	25.4	24%	0.243	13%	0.13	C	C	.	.	H	α-helix	trans	-76.9	-25.2	179.2	-65.1	-176.6	24.9	0	0	112.9	Q447 M448 V525	Q447-Q451 WeakPolarHBondContact O-CG 3.44Å; Q447-Q451 PolarHBondContact O-N 3.44Å; Q447-Q451 VanDerWaalsContact O-N 3.15Å; M448-Q451 PolarHBondContact O-N 3.41Å; Q451-V525 PolarHBondContact NE2-O 2.82Å
452	F	96.6	Very high	97.4	Very high	30 Å²	30	25.4 Å²	25.4	13%	0.132	13%	0.13	C	C	.	.			trans	-127.1	71	-179.9	-54.7	-73.4	0	0	0	111.3	M448 S449 T454 A455 F456 L522 P524	M448-F452 WeakPolarHBondContact O-CD2 3.48Å; M448-F452 PolarHBondContact O-N 2.97Å; S449-F452 CarbonylContact O-C 3.51Å; F452-T454 PolarHBondContact O-N 3.43Å; F452-A455 HydrophobicContact CB-CB 3.69Å; F452-A455 PolarHBondContact O-N 3.36Å; F452-F456 HydrophobicContact CB-CE2 4.38Å; F452-L522 HydrophobicContact CB-CD1 4.36Å; F452-L522 HydrophobicContact CD1-CD2 3.98Å; F452-L522 HydrophobicContact CD2-CB 4.21Å; F452-L522 HydrophobicContact CD2-CD1 4.05Å; F452-L522 HydrophobicContact CD2-CD2 4.43Å; F452-L522 HydrophobicContact CD2-CG 4.47Å; F452-L522 HydrophobicContact CE1-CD2 4.28Å; F452-L522 HydrophobicContact CE2-CB 3.98Å; F452-L522 HydrophobicContact CG-CD1 4.2Å; F452-L522 HydrophobicContact CG-CD2 4.07Å; F452-L522 HydrophobicContact CZ-CB 4.24Å; F452-P524 HydrophobicContact CE2-CB 3.94Å
453	P	94.4	Very high	97.4	Very high	75 Å²	75	25.4 Å²	25.4	49%	0.487	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	-169.5	24.6	-35.4	0	0	0	114.8	S449 N511	S449-P453 WeakPolarHBondContact O-CA 3.2Å; P453-N511 PolarHBondContact O-ND2 3.4Å
454	T	93.8	Very high	97.4	Very high	47 Å²	47	26 Å²	26	29%	0.288	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-5.7	178.7	66.7	0	0	0	0	113.4	F452 F513 Y514 T515	F452-T454 PolarHBondContact O-N 3.43Å; T454-F513 WeakPolarHBondContact CA-O 3.34Å; T454-F513 WeakPolarHBondContact CB-O 3.24Å; T454-F513 HydrophobicContact CG2-CB 4.29Å; T454-F513 WeakPolarHBondContact CG2-O 3.47Å; T454-Y514 CarbonylContact O-C 3.54Å; T454-Y514 WeakPolarHBondContact O-CA 3.35Å; T454-Y514 WeakPolarHBondContact O-CD2 3.4Å; T454-T515 WeakPolarHBondContact CB-OG1 3.38Å; T454-T515 PolarHBondContact O-N 3.27Å; T454-T515 PolarHBondContact O-OG1 3.36Å; T454-T515 PolarHBondContact OG1-OG1 2.77Å
455	A	96.9	Very high	97.3	Very high	3 Å²	3	27 Å²	27	3%	0.025	14%	0.138	C	C	.	.	S	Bend	trans	-88.5	-14.7	-167.9	0	0	0	0	0	114.7	R398 F452 L522	R398-A455 VanDerWaalsContact CB-O 3.28Å; R398-A455 WeakPolarHBondContact CB-O 3.44Å; R398-A455 VanDerWaalsContact CD-O 3.29Å; R398-A455 WeakPolarHBondContact CD-O 3.19Å; F452-A455 HydrophobicContact CB-CB 3.69Å; F452-A455 PolarHBondContact O-N 3.36Å; A455-L522 HydrophobicContact CB-CD1 3.77Å; A455-L522 HydrophobicContact CB-CD2 4.12Å
456	F	97.9	Very high	97.3	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.138	C	C	.	.			trans	-115.2	131.4	-177.5	-61.4	-90	0	0	0	110.5	L391 R398 M448 F452 F458 N511 Y514 L522	L391-F456 HydrophobicContact CD2-CE1 4.3Å; R398-F456 HydrophobicContact CB-CD1 3.79Å; R398-F456 HydrophobicContact CB-CE1 4.21Å; R398-F456 HydrophobicContact CB-CG 4.44Å; R398-F456 HydrophobicContact CG-CD1 4.01Å; R398-F456 HydrophobicContact CG-CE1 3.9Å; R398-F456 WeakPolarHBondContact O-CA 3.2Å; M448-F456 HydrophobicContact CB-CE2 3.93Å; M448-F456 HydrophobicContact CB-CZ 3.73Å; M448-F456 HydrophobicContact CE-CZ 4.32Å; F452-F456 HydrophobicContact CB-CE2 4.38Å; F456-F458 VanDerWaalsContact C-N 3.25Å; F456-F458 HydrophobicContact CB-CD2 4.31Å; F456-F458 HydrophobicContact CB-CE1 4.31Å; F456-F458 HydrophobicContact CB-CE2 4.04Å; F456-F458 HydrophobicContact CB-CZ 4.07Å; F456-F458 AromaticContact CD1-CE1 3.8Å; F456-F458 HydrophobicContact CD1-CE1 3.8Å; F456-F458 AromaticContact CD1-CE2 3.9Å; F456-F458 HydrophobicContact CD1-CE2 3.9Å; F456-F458 AromaticContact CD1-CZ 3.28Å; F456-F458 HydrophobicContact CD1-CZ 3.28Å; F456-F458 HydrophobicContact CE1-CZ 4.03Å; F456-F458 HydrophobicContact CG-CE2 4.18Å; F456-F458 AromaticContact CG-CZ 4Å; F456-F458 HydrophobicContact CG-CZ 4Å; F456-F458 PolarHBondContact O-N 2.86Å; F456-N511 WeakPolarHBondContact O-CB 3.49Å; F456-N511 PolarHBondContact O-ND2 3.12Å; F456-Y514 WeakPolarHBondContact O-CD2 3.35Å; F456-L522 HydrophobicContact CE2-CD1 4.02Å; F456-L522 HydrophobicContact CZ-CD1 3.99Å
457	E	98.2	Very high	97.3	Very high	29 Å²	29	26.6 Å²	26.6	14%	0.136	14%	0.137	C	C	.	.	S	Bend	trans	-71.2	-24.8	177.2	-171.1	-173.6	-159.1	0	0	111.4	R398 S399 I400 K506 K510 N511 Y514	R398-E457 PolarHBondContact O-N 2.84Å; S399-E457 WeakPolarHBondContact CA-OE2 3.39Å; S399-E457 VanDerWaalsContact CB-OE2 3.29Å; S399-E457 WeakPolarHBondContact CB-OE2 3.44Å; I400-E457 HydrophobicContact CD1-CG 4.22Å; I400-E457 HydrophobicContact CG1-CB 4.39Å; I400-E457 HydrophobicContact CG1-CG 4.2Å; I400-E457 PolarHBondContact N-OE2 2.75Å; E457-K506 IonicContact OE1-NZ 3.94Å; E457-K510 HydrophobicContact CG-CG 4.44Å; E457-K510 CarbonylContact O-C 3.48Å; E457-K510 WeakPolarHBondContact O-CA 3.34Å; E457-N511 PolarHBondContact O-N 3.42Å; E457-Y514 VanDerWaalsContact CA-CG 3.44Å; E457-Y514 HydrophobicContact CB-CD1 3.75Å; E457-Y514 HydrophobicContact CB-CD2 4.1Å; E457-Y514 HydrophobicContact CB-CE1 3.84Å; E457-Y514 HydrophobicContact CB-CE2 4.18Å; E457-Y514 HydrophobicContact CB-CG 3.88Å; E457-Y514 HydrophobicContact CG-CD1 3.78Å; E457-Y514 HydrophobicContact CG-CE1 4.03Å; E457-Y514 HydrophobicContact CG-CG 4.27Å; E457-Y514 VanDerWaalsContact N-CD2 3.26Å
458	F	98.4	Very high	97.3	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-91.5	148.3	179	53.6	-100.6	0	0	0	112.5	I400 F403 V445 F456 F462 L463 F509 N511	I400-F458 HydrophobicContact CG1-CB 3.83Å; F403-F458 HydrophobicContact CB-CD1 4.05Å; F403-F458 HydrophobicContact CB-CE1 3.67Å; F403-F458 AromaticContact CD2-CE1 3.55Å; F403-F458 HydrophobicContact CD2-CE1 3.55Å; F403-F458 AromaticContact CD2-CZ 3.64Å; F403-F458 HydrophobicContact CD2-CZ 3.64Å; F403-F458 HydrophobicContact CE2-CE1 4.35Å; F403-F458 AromaticContact CE2-CZ 3.99Å; F403-F458 HydrophobicContact CE2-CZ 3.99Å; F403-F458 HydrophobicContact CG-CD1 4.32Å; F403-F458 AromaticContact CG-CE1 3.71Å; F403-F458 HydrophobicContact CG-CE1 3.71Å; F403-F458 HydrophobicContact CG-CZ 4.15Å; V445-F458 HydrophobicContact CG1-CE2 3.75Å; V445-F458 HydrophobicContact CG1-CZ 3.73Å; F456-F458 VanDerWaalsContact C-N 3.25Å; F456-F458 HydrophobicContact CB-CD2 4.31Å; F456-F458 HydrophobicContact CB-CE1 4.31Å; F456-F458 HydrophobicContact CB-CE2 4.04Å; F456-F458 HydrophobicContact CB-CZ 4.07Å; F456-F458 AromaticContact CD1-CE1 3.8Å; F456-F458 HydrophobicContact CD1-CE1 3.8Å; F456-F458 AromaticContact CD1-CE2 3.9Å; F456-F458 HydrophobicContact CD1-CE2 3.9Å; F456-F458 AromaticContact CD1-CZ 3.28Å; F456-F458 HydrophobicContact CD1-CZ 3.28Å; F456-F458 HydrophobicContact CE1-CZ 4.03Å; F456-F458 HydrophobicContact CG-CE2 4.18Å; F456-F458 AromaticContact CG-CZ 4Å; F456-F458 HydrophobicContact CG-CZ 4Å; F456-F458 PolarHBondContact O-N 2.86Å; F458-F462 HydrophobicContact CB-CB 3.79Å; F458-F462 HydrophobicContact CB-CD1 3.36Å; F458-F462 HydrophobicContact CB-CD2 4.24Å; F458-F462 HydrophobicContact CB-CE1 3.87Å; F458-F462 HydrophobicContact CB-CG 3.55Å; F458-F462 HydrophobicContact CD1-CD1 4.1Å; F458-F462 AromaticContact CD1-CE1 3.84Å; F458-F462 HydrophobicContact CD1-CE1 3.84Å; F458-F462 AromaticContact CD2-CD1 3.65Å; F458-F462 HydrophobicContact CD2-CD1 3.65Å; F458-F462 HydrophobicContact CD2-CE1 4.11Å; F458-F462 HydrophobicContact CE1-CE1 4.39Å; F458-F462 HydrophobicContact CE2-CD1 4.46Å; F458-F462 AromaticContact CG-CD1 3.43Å; F458-F462 HydrophobicContact CG-CD1 3.43Å; F458-F462 VanDerWaalsContact CG-CD1 3.43Å; F458-F462 AromaticContact CG-CE1 3.67Å; F458-F462 HydrophobicContact CG-CE1 3.67Å; F458-F462 HydrophobicContact CG-CG 4.16Å; F458-L463 HydrophobicContact CD2-CD2 3.98Å; F458-L463 HydrophobicContact CD2-CG 4.22Å; F458-L463 HydrophobicContact CE2-CD1 4.32Å; F458-L463 HydrophobicContact CE2-CD2 3.72Å; F458-L463 HydrophobicContact CE2-CG 4.2Å; F458-L463 HydrophobicContact CZ-CD2 4.47Å; F458-F509 CarbonylContact C-O 3.53Å; F458-F509 VanDerWaalsContact CA-O 3.23Å; F458-F509 WeakPolarHBondContact CA-O 3.48Å; F458-N511 WeakPolarHBondContact O-CB 3.5Å
459	N	95.5	Very high	97.3	Very high	28 Å²	28	29.2 Å²	29.2	15%	0.15	15%	0.15	C	C	.	.			trans	-94.3	-178.5	175.4	65.6	23.1	0	0	0	112.5	Q461 F462 K508 F509 K510 N511	N459-Q461 VanDerWaalsContact C-N 3.31Å; N459-Q461 PolarHBondContact O-N 3.09Å; N459-Q461 WeakPolarHBondContact OD1-CB 3.2Å; N459-Q461 PolarHBondContact OD1-N 3.28Å; N459-Q461 VanDerWaalsContact OD1-N 3.12Å; N459-F462 WeakPolarHBondContact O-CB 3.49Å; N459-F462 PolarHBondContact O-N 2.7Å; N459-F462 PolarHBondContact OD1-N 2.7Å; N459-F462 VanDerWaalsContact OD1-N 3.09Å; N459-K508 PolarHBondContact ND2-O 2.84Å; N459-F509 PolarHBondContact N-O 3.22Å; N459-F509 PolarHBondContact OD1-O 3.2Å; N459-K510 PolarHBondContact ND2-O 3.3Å; N459-N511 HydrophobicContact CB-CB 4.32Å
460	E	96.1	Very high	97.4	Very high	52 Å²	52	28.2 Å²	28.2	24%	0.243	14%	0.143	C	C	.	.	H	α-helix	trans	-63.1	-35.4	179	-176.2	174.9	-137.7	0	0	112.8	W446 F462 L463 I464 W534 N536	W446-E460 PolarHBondContact NE1-OE1 3.1Å; E460-F462 PolarHBondContact O-N 3.05Å; E460-L463 PolarHBondContact O-N 3.09Å; E460-I464 HydrophobicContact CG-CD1 4.01Å; E460-I464 HydrophobicContact CG-CG1 4.4Å; E460-I464 WeakPolarHBondContact O-CG1 3.29Å; E460-I464 PolarHBondContact O-N 3.14Å; E460-W534 HydrophobicContact CG-CZ2 4.01Å; E460-W534 VanDerWaalsContact OE1-CD1 3.31Å; E460-W534 PolarHBondContact OE1-NE1 3.31Å; E460-N536 WeakPolarHBondContact OE1-CB 3.43Å; E460-N536 PolarHBondContact OE1-ND2 3.03Å; E460-N536 PolarHBondContact OE2-ND2 3.45Å
461	Q	96.3	Very high	97.5	Very high	73 Å²	73	23.7 Å²	23.7	34%	0.341	12%	0.123	S	C	.	.	H	α-helix	trans	-62.2	-32.5	179	-175.2	62.8	29.5	0	0	112.1	N459 I464 I465 F509	N459-Q461 VanDerWaalsContact C-N 3.31Å; N459-Q461 PolarHBondContact O-N 3.09Å; N459-Q461 WeakPolarHBondContact OD1-CB 3.2Å; N459-Q461 PolarHBondContact OD1-N 3.28Å; N459-Q461 VanDerWaalsContact OD1-N 3.12Å; Q461-I464 PolarHBondContact O-N 2.83Å; Q461-I465 WeakPolarHBondContact O-CB 3.38Å; Q461-I465 WeakPolarHBondContact O-CG2 3.29Å; Q461-I465 PolarHBondContact O-N 3.17Å; Q461-F509 HydrophobicContact CG-CD1 4.35Å; Q461-F509 HydrophobicContact CG-CE1 4.13Å
462	F	98.7	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-42.3	172.4	173.4	-98.8	0	0	0	112.2	I400 F403 E404 F458 N459 E460 I465 I466 I502 F509	I400-F462 HydrophobicContact CG2-CE2 3.99Å; F403-F462 HydrophobicContact CB-CE1 4.29Å; F403-F462 HydrophobicContact CB-CZ 4.28Å; F403-F462 AromaticContact CD1-CE1 3.39Å; F403-F462 HydrophobicContact CD1-CE1 3.39Å; F403-F462 AromaticContact CD1-CZ 3.66Å; F403-F462 HydrophobicContact CD1-CZ 3.66Å; F403-F462 AromaticContact CE1-CE1 3.87Å; F403-F462 HydrophobicContact CE1-CE1 3.87Å; F403-F462 HydrophobicContact CE1-CZ 4.43Å; F403-F462 AromaticContact CG-CE1 3.96Å; F403-F462 HydrophobicContact CG-CE1 3.96Å; F403-F462 HydrophobicContact CG-CZ 4.29Å; E404-F462 HydrophobicContact CG-CE2 4.47Å; E404-F462 HydrophobicContact CG-CZ 4.33Å; F458-F462 HydrophobicContact CB-CB 3.79Å; F458-F462 HydrophobicContact CB-CD1 3.36Å; F458-F462 HydrophobicContact CB-CD2 4.24Å; F458-F462 HydrophobicContact CB-CE1 3.87Å; F458-F462 HydrophobicContact CB-CG 3.55Å; F458-F462 HydrophobicContact CD1-CD1 4.1Å; F458-F462 AromaticContact CD1-CE1 3.84Å; F458-F462 HydrophobicContact CD1-CE1 3.84Å; F458-F462 AromaticContact CD2-CD1 3.65Å; F458-F462 HydrophobicContact CD2-CD1 3.65Å; F458-F462 HydrophobicContact CD2-CE1 4.11Å; F458-F462 HydrophobicContact CE1-CE1 4.39Å; F458-F462 HydrophobicContact CE2-CD1 4.46Å; F458-F462 AromaticContact CG-CD1 3.43Å; F458-F462 HydrophobicContact CG-CD1 3.43Å; F458-F462 VanDerWaalsContact CG-CD1 3.43Å; F458-F462 AromaticContact CG-CE1 3.67Å; F458-F462 HydrophobicContact CG-CE1 3.67Å; F458-F462 HydrophobicContact CG-CG 4.16Å; N459-F462 WeakPolarHBondContact O-CB 3.49Å; N459-F462 PolarHBondContact O-N 2.7Å; N459-F462 PolarHBondContact OD1-N 2.7Å; N459-F462 VanDerWaalsContact OD1-N 3.09Å; E460-F462 PolarHBondContact O-N 3.05Å; F462-I465 VanDerWaalsContact O-CG2 3.26Å; F462-I465 WeakPolarHBondContact O-CG2 3.43Å; F462-I466 HydrophobicContact CD1-CD1 3.97Å; F462-I466 HydrophobicContact CE1-CD1 3.54Å; F462-I466 HydrophobicContact CE2-CD1 4.12Å; F462-I466 HydrophobicContact CG-CD1 4.46Å; F462-I466 HydrophobicContact CZ-CD1 3.63Å; F462-I466 WeakPolarHBondContact O-CG1 3.31Å; F462-I466 PolarHBondContact O-N 3.17Å; F462-I502 HydrophobicContact CD2-CD1 4.1Å; F462-I502 HydrophobicContact CD2-CG2 3.93Å; F462-I502 HydrophobicContact CE2-CD1 3.98Å; F462-I502 HydrophobicContact CE2-CG2 3.88Å; F462-F509 HydrophobicContact CB-CB 4.02Å; F462-F509 HydrophobicContact CB-CD1 4.02Å; F462-F509 HydrophobicContact CB-CG 4.38Å; F462-F509 HydrophobicContact CD2-CB 4.13Å; F462-F509 HydrophobicContact CD2-CG 4.39Å
463	L	98.8	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-40.1	178.2	-59	179.8	0	0	0	111.2	F403 I442 V445 W446 F458 E460 I466 L467 W534	F403-L463 HydrophobicContact CE1-CD2 4.46Å; F403-L463 HydrophobicContact CZ-CD2 4.26Å; I442-L463 HydrophobicContact CG2-CB 3.75Å; I442-L463 HydrophobicContact CG2-CD2 4.15Å; I442-L463 HydrophobicContact CG2-CG 4.38Å; V445-L463 HydrophobicContact CG1-CD1 4.15Å; V445-L463 HydrophobicContact CG1-CD2 3.88Å; W446-L463 HydrophobicContact CB-CD1 3.9Å; F458-L463 HydrophobicContact CD2-CD2 3.98Å; F458-L463 HydrophobicContact CD2-CG 4.22Å; F458-L463 HydrophobicContact CE2-CD1 4.32Å; F458-L463 HydrophobicContact CE2-CD2 3.72Å; F458-L463 HydrophobicContact CE2-CG 4.2Å; F458-L463 HydrophobicContact CZ-CD2 4.47Å; E460-L463 PolarHBondContact O-N 3.09Å; L463-I466 PolarHBondContact O-N 3.34Å; L463-L467 WeakPolarHBondContact O-CG 3.4Å; L463-L467 PolarHBondContact O-N 3.24Å; L463-W534 HydrophobicContact CB-CH2 3.67Å; L463-W534 HydrophobicContact CB-CZ2 4.09Å; L463-W534 HydrophobicContact CD1-CH2 4.49Å
464	I	98.4	Very high	97.9	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.067	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-45.1	177.5	-65.9	175.9	0	0	0	111.2	E460 Q461 I466 L467 D468 W534 N536	E460-I464 HydrophobicContact CG-CD1 4.01Å; E460-I464 HydrophobicContact CG-CG1 4.4Å; E460-I464 WeakPolarHBondContact O-CG1 3.29Å; E460-I464 PolarHBondContact O-N 3.14Å; Q461-I464 PolarHBondContact O-N 2.83Å; I464-I466 VanDerWaalsContact C-N 3.25Å; I464-I466 PolarHBondContact O-N 2.91Å; I464-L467 PolarHBondContact O-N 2.79Å; I464-D468 PolarHBondContact O-N 2.75Å; I464-W534 HydrophobicContact CD1-CZ2 4.35Å; I464-W534 HydrophobicContact CG1-CH2 4.28Å; I464-W534 HydrophobicContact CG1-CZ2 3.64Å; I464-N536 HydrophobicContact CD1-CB 4.44Å
465	I	98.4	Very high	98.1	Very high	22 Å²	22	16.3 Å²	16.3	11%	0.113	8%	0.079	C	C	.	.	H	α-helix	trans	-64.6	-32.5	-178.4	-160	66.5	0	0	0	111.6	Q461 F462 H469 I502 F509	Q461-I465 WeakPolarHBondContact O-CB 3.38Å; Q461-I465 WeakPolarHBondContact O-CG2 3.29Å; Q461-I465 PolarHBondContact O-N 3.17Å; F462-I465 VanDerWaalsContact O-CG2 3.26Å; F462-I465 WeakPolarHBondContact O-CG2 3.43Å; I465-H469 WeakPolarHBondContact O-CB 3.45Å; I465-H469 PolarHBondContact O-CD2 3.17Å; I465-H469 PolarHBondContact O-N 2.9Å; I465-H469 VanDerWaalsContact O-N 3.08Å; I465-I502 HydrophobicContact CG2-CD1 3.85Å; I465-I502 HydrophobicContact CG2-CG1 4.2Å; I465-F509 HydrophobicContact CB-CE1 4.08Å; I465-F509 HydrophobicContact CG1-CE1 4.37Å; I465-F509 HydrophobicContact CG1-CZ 4.41Å; I465-F509 HydrophobicContact CG2-CD1 4.21Å; I465-F509 HydrophobicContact CG2-CE1 3.58Å; I465-F509 HydrophobicContact CG2-CZ 4.1Å
466	I	98.9	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.9	-46	171.8	-74	170.4	0	0	0	110.7	F403 F438 I442 F462 L463 I464 H469 L470 F478 L498 W499 I502	F403-I466 HydrophobicContact CD1-CD1 4.24Å; F403-I466 HydrophobicContact CE1-CD1 3.89Å; F438-I466 HydrophobicContact CE1-CG2 3.73Å; F438-I466 HydrophobicContact CZ-CG2 4.2Å; I442-I466 HydrophobicContact CD1-CG2 4.21Å; F462-I466 HydrophobicContact CD1-CD1 3.97Å; F462-I466 HydrophobicContact CE1-CD1 3.54Å; F462-I466 HydrophobicContact CE2-CD1 4.12Å; F462-I466 HydrophobicContact CG-CD1 4.46Å; F462-I466 HydrophobicContact CZ-CD1 3.63Å; F462-I466 WeakPolarHBondContact O-CG1 3.31Å; F462-I466 PolarHBondContact O-N 3.17Å; L463-I466 PolarHBondContact O-N 3.34Å; I464-I466 VanDerWaalsContact C-N 3.25Å; I464-I466 PolarHBondContact O-N 2.91Å; I466-H469 PolarHBondContact O-N 3.37Å; I466-L470 WeakPolarHBondContact O-CB 3.28Å; I466-L470 PolarHBondContact O-N 3.5Å; I466-F478 HydrophobicContact CG2-CE2 4.17Å; I466-F478 HydrophobicContact CG2-CZ 3.93Å; I466-L498 HydrophobicContact CG1-CD2 4.12Å; I466-W499 HydrophobicContact CD1-CH2 4.22Å; I466-W499 HydrophobicContact CD1-CZ3 4.01Å; I466-W499 HydrophobicContact CG1-CH2 4.31Å; I466-W499 HydrophobicContact CG1-CZ3 3.99Å; I466-I502 HydrophobicContact CG1-CD1 4.23Å
467	L	98.9	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-71.4	-33.3	179.8	-67.2	173.4	0	0	0	113.1	L439 I442 L463 I464 L470 Y471 W534 Y537	L439-L467 HydrophobicContact CB-CD2 4.28Å; L439-L467 HydrophobicContact CD1-CD1 3.54Å; L439-L467 HydrophobicContact CD1-CD2 3.86Å; L439-L467 HydrophobicContact CD1-CG 4.33Å; I442-L467 HydrophobicContact CB-CD1 4.14Å; I442-L467 HydrophobicContact CB-CD2 4.03Å; I442-L467 HydrophobicContact CB-CG 4.24Å; I442-L467 HydrophobicContact CG1-CD2 3.89Å; I442-L467 HydrophobicContact CG1-CG 4.34Å; I442-L467 HydrophobicContact CG2-CD1 3.71Å; I442-L467 HydrophobicContact CG2-CD2 4.31Å; I442-L467 HydrophobicContact CG2-CG 3.96Å; L463-L467 WeakPolarHBondContact O-CG 3.4Å; L463-L467 PolarHBondContact O-N 3.24Å; I464-L467 PolarHBondContact O-N 2.79Å; L467-L470 HydrophobicContact CD2-CD2 4.13Å; L467-L470 WeakPolarHBondContact O-CB 3.26Å; L467-L470 PolarHBondContact O-N 3.23Å; L467-Y471 WeakPolarHBondContact O-CD2 3.36Å; L467-W534 HydrophobicContact CD1-CH2 3.85Å; L467-W534 HydrophobicContact CD1-CZ3 3.67Å; L467-Y537 HydrophobicContact CB-CD2 4.41Å; L467-Y537 HydrophobicContact CB-CE2 3.55Å; L467-Y537 HydrophobicContact CD1-CD1 4.42Å; L467-Y537 HydrophobicContact CD1-CD2 3.78Å; L467-Y537 HydrophobicContact CD1-CE1 4.18Å; L467-Y537 HydrophobicContact CD1-CE2 3.49Å; L467-Y537 VanDerWaalsContact CD1-CE2 3.49Å; L467-Y537 HydrophobicContact CD1-CG 4.23Å; L467-Y537 HydrophobicContact CG-CE2 4.16Å
468	D	98.7	Very high	98.3	Very high	41 Å²	41	15 Å²	15	22%	0.219	7%	0.072	C	C	.	.	H	α-helix	trans	-64.1	-44.7	173.5	-74.4	-23.4	0	0	0	111	I464 Y471 S472 R540	I464-D468 PolarHBondContact O-N 2.75Å; D468-Y471 PolarHBondContact O-N 2.92Å; D468-S472 WeakPolarHBondContact O-CB 3.49Å; D468-S472 PolarHBondContact O-N 3.25Å; D468-R540 VanDerWaalsContact CG-NH1 3.31Å; D468-R540 IonicContact OD1-CZ 3.02Å; D468-R540 IonicContact OD1-NH1 3.88Å; D468-R540 PolarHBondContact OD1-NH1 3.08Å; D468-R540 IonicContact OD1-NH2 3.49Å; D468-R540 PolarHBondContact OD1-NH2 2.73Å; D468-R540 IonicContact OD2-NH1 3.62Å; D468-R540 PolarHBondContact OD2-NH1 3.09Å
469	H	98.8	Very high	98.3	Very high	17 Å²	17	15 Å²	15	8%	0.079	7%	0.072	C	C	.	.	H	α-helix	trans	-83	-10.7	179.6	-70	-44.8	0	0	0	114.8	I465 I466 Y471 S472 F475 L498	I465-H469 WeakPolarHBondContact O-CB 3.45Å; I465-H469 PolarHBondContact O-CD2 3.17Å; I465-H469 PolarHBondContact O-N 2.9Å; I465-H469 VanDerWaalsContact O-N 3.08Å; I466-H469 PolarHBondContact O-N 3.37Å; H469-Y471 PolarHBondContact O-N 3.21Å; H469-S472 PolarHBondContact ND1-OG 3.15Å; H469-F475 HydrophobicContact CB-CD2 4.06Å; H469-F475 HydrophobicContact CB-CE2 4.49Å; H469-F475 AromaticContact CD2-CE2 3.7Å; H469-F475 AromaticContact CE1-CE2 3.84Å; H469-F475 AromaticContact CG-CD2 3.78Å; H469-F475 AromaticContact CG-CE2 3.75Å; H469-F475 AromaticContact ND1-CD2 3.98Å; H469-F475 AromaticContact ND1-CE2 3.82Å; H469-F475 AromaticContact NE2-CE2 3.74Å; H469-L498 HydrophobicContact CB-CD1 3.81Å; H469-L498 HydrophobicContact CB-CD2 4.12Å; H469-L498 VanDerWaalsContact CD2-CD1 3.42Å; H469-L498 WeakPolarHBondContact CD2-CD1 3.44Å
470	L	98.8	Very high	98.5	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-56.3	-44	161.2	177.9	66.2	0	0	0	110	F418 I422 H424 F438 I466 L467 F478	F418-L470 HydrophobicContact CD1-CD1 3.59Å; F418-L470 HydrophobicContact CE1-CD1 3.77Å; I422-L470 HydrophobicContact CD1-CD1 3.95Å; I422-L470 HydrophobicContact CD1-CD2 3.75Å; I422-L470 HydrophobicContact CD1-CG 3.84Å; I422-L470 HydrophobicContact CG1-CD1 3.92Å; I422-L470 HydrophobicContact CG1-CG 4.16Å; H424-L470 PolarHBondContact CE1-O 3.36Å; F438-L470 HydrophobicContact CD1-CD1 4.02Å; F438-L470 HydrophobicContact CD1-CD2 4.06Å; I466-L470 WeakPolarHBondContact O-CB 3.28Å; I466-L470 PolarHBondContact O-N 3.5Å; L467-L470 HydrophobicContact CD2-CD2 4.13Å; L467-L470 WeakPolarHBondContact O-CB 3.26Å; L467-L470 PolarHBondContact O-N 3.23Å; L470-F478 HydrophobicContact CB-CD2 4.34Å; L470-F478 HydrophobicContact CD1-CB 4.04Å; L470-F478 HydrophobicContact CD1-CD1 4.39Å; L470-F478 HydrophobicContact CD1-CD2 4.26Å; L470-F478 HydrophobicContact CD1-CG 3.98Å
471	Y	98.6	Very high	98.6	Very high	11 Å²	11	15.7 Å²	15.7	4%	0.043	8%	0.075	C	C	.	.	H	α-helix	trans	-91.6	-34	-177.2	-57.3	-57.4	0	0	0	113.6	G88 K114 I422 L467 D468 H469 C473 Y537	G88-Y471 CarbonylContact C-O 3.54Å; G88-Y471 WeakPolarHBondContact CA-O 3.42Å; K114-Y471 HydrophobicContact CB-CD1 3.88Å; K114-Y471 HydrophobicContact CB-CD2 4.42Å; K114-Y471 HydrophobicContact CB-CE1 3.95Å; K114-Y471 HydrophobicContact CB-CE2 4.48Å; K114-Y471 HydrophobicContact CB-CG 4.13Å; K114-Y471 HydrophobicContact CD-CD1 3.65Å; K114-Y471 HydrophobicContact CD-CE1 4.16Å; K114-Y471 HydrophobicContact CD-CG 4.32Å; K114-Y471 HydrophobicContact CG-CD1 4.37Å; I422-Y471 HydrophobicContact CD1-CE1 3.89Å; I422-Y471 HydrophobicContact CG2-CD1 3.51Å; I422-Y471 HydrophobicContact CG2-CE1 3.88Å; L467-Y471 WeakPolarHBondContact O-CD2 3.36Å; D468-Y471 PolarHBondContact O-N 2.92Å; H469-Y471 PolarHBondContact O-N 3.21Å; Y471-C473 PolarHBondContact O-N 3.25Å; Y471-C473 VanDerWaalsContact O-N 3.08Å; Y471-C473 PolarHBondContact O-SG 3.26Å; Y471-C473 VanDerWaalsContact O-SG 3.39Å; Y471-Y537 WeakPolarHBondContact CE2-OH 3.34Å
472	S	98.6	Very high	98.7	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-63.4	-23.9	-164.9	87.7	0	0	0	0	114.5	Y68 D468 H469 R474	Y68-S472 WeakPolarHBondContact CE2-O 3.12Å; D468-S472 WeakPolarHBondContact O-CB 3.49Å; D468-S472 PolarHBondContact O-N 3.25Å; H469-S472 PolarHBondContact ND1-OG 3.15Å; S472-R474 PolarHBondContact O-N 3.16Å; S472-R474 VanDerWaalsContact OG-CB 3.26Å; S472-R474 WeakPolarHBondContact OG-CB 3.17Å; S472-R474 PolarHBondContact OG-N 2.64Å; S472-R474 VanDerWaalsContact OG-N 3.13Å
473	C	98.5	Very high	98.7	Very high	6 Å²	6	14.1 Å²	14.1	4%	0.041	7%	0.069	C	C	.	.			trans	53.2	33.5	-172.4	-55.8	0	0	0	0	112.9	L150 A152 H424 Y471 L479	L150-C473 HydrophobicContact CD2-CB 4.19Å; A152-C473 WeakPolarHBondContact CB-O 3.27Å; A152-C473 PolarHBondContact N-O 2.93Å; H424-C473 PolarHBondContact ND1-SG 3.15Å; Y471-C473 PolarHBondContact O-N 3.25Å; Y471-C473 VanDerWaalsContact O-N 3.08Å; Y471-C473 PolarHBondContact O-SG 3.26Å; Y471-C473 VanDerWaalsContact O-SG 3.39Å; C473-L479 HydrophobicContact CB-CD2 4.48Å
474	R	98.6	Very high	98.7	Very high	35 Å²	35	14.5 Å²	14.5	13%	0.132	7%	0.072	C	C	.	.	S	Bend	trans	-81.4	-28.9	173.6	-179.3	175.8	172	-170.7	1.3	112.1	L38 Y68 F151 N155 E157 S472	L38-R474 HydrophobicContact CD1-CG 4.46Å; Y68-R474 HydrophobicContact CE2-CB 3.77Å; Y68-R474 HydrophobicContact CE2-CG 4.37Å; F151-R474 HydrophobicContact CD1-CG 4.46Å; F151-R474 HydrophobicContact CE1-CG 4.36Å; N155-R474 PolarHBondContact ND2-O 3.26Å; E157-R474 IonicContact OE1-CZ 3.01Å; E157-R474 IonicContact OE1-NE 2.78Å; E157-R474 IonicContact OE1-NH2 2.62Å; E157-R474 PolarHBondContact OE1-NH2 3.37Å; E157-R474 IonicContact OE2-CZ 2.68Å; E157-R474 VanDerWaalsContact OE2-CZ 3.26Å; E157-R474 IonicContact OE2-NE 3.74Å; E157-R474 PolarHBondContact OE2-NE 3.35Å; E157-R474 IonicContact OE2-NH2 3.43Å; E157-R474 PolarHBondContact OE2-NH2 3.04Å; S472-R474 PolarHBondContact O-N 3.16Å; S472-R474 VanDerWaalsContact OG-CB 3.26Å; S472-R474 WeakPolarHBondContact OG-CB 3.17Å; S472-R474 PolarHBondContact OG-N 2.64Å; S472-R474 VanDerWaalsContact OG-N 3.13Å
475	F	98.9	Very high	98.7	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.018	8%	0.075	C	C	.	.	S	Bend	trans	-122.1	155.4	-177.4	-58.7	-72	0	0	0	110.2	F159 H469 T477 V496 S497 L498 L501	F159-F475 HydrophobicContact CE2-CE1 4.09Å; F159-F475 HydrophobicContact CZ-CE1 4.27Å; F159-F475 HydrophobicContact CZ-CZ 4.45Å; H469-F475 HydrophobicContact CB-CD2 4.06Å; H469-F475 HydrophobicContact CB-CE2 4.49Å; H469-F475 AromaticContact CD2-CE2 3.7Å; H469-F475 AromaticContact CE1-CE2 3.84Å; H469-F475 AromaticContact CG-CD2 3.78Å; H469-F475 AromaticContact CG-CE2 3.75Å; H469-F475 AromaticContact ND1-CD2 3.98Å; H469-F475 AromaticContact ND1-CE2 3.82Å; H469-F475 AromaticContact NE2-CE2 3.74Å; F475-T477 VanDerWaalsContact C-N 3.3Å; F475-V496 CarbonylContact C-O 3.44Å; F475-V496 VanDerWaalsContact CA-O 3.27Å; F475-V496 WeakPolarHBondContact CA-O 3.49Å; F475-V496 WeakPolarHBondContact CB-O 3.42Å; F475-V496 HydrophobicContact CD1-CB 3.95Å; F475-V496 HydrophobicContact CD1-CG1 3.89Å; F475-V496 HydrophobicContact CE1-CB 4.3Å; F475-V496 HydrophobicContact CE1-CG1 3.91Å; F475-S497 WeakPolarHBondContact CD1-O 3.33Å; F475-L498 HydrophobicContact CB-CB 4.14Å; F475-L498 HydrophobicContact CD2-CB 4.06Å; F475-L498 HydrophobicContact CD2-CD1 3.85Å; F475-L498 HydrophobicContact CE2-CD1 3.88Å; F475-L498 HydrophobicContact CG-CB 4.09Å; F475-L501 HydrophobicContact CE1-CB 4.24Å; F475-L501 HydrophobicContact CE2-CB 4.4Å; F475-L501 HydrophobicContact CE2-CD2 3.85Å; F475-L501 HydrophobicContact CZ-CB 3.73Å; F475-L501 HydrophobicContact CZ-CD2 3.74Å; F475-L501 HydrophobicContact CZ-CG 4.28Å
476	G	98.8	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-77.5	-12.2	176.9	0	0	0	0	0	114.7	F478 L479 T495 V496	G476-F478 VanDerWaalsContact C-N 3.28Å; G476-F478 PolarHBondContact O-N 3.2Å; G476-F478 VanDerWaalsContact O-N 3.13Å; G476-L479 PolarHBondContact O-N 3.4Å; G476-T495 VanDerWaalsContact CA-OG1 3.3Å; G476-T495 WeakPolarHBondContact CA-OG1 3.47Å; G476-V496 PolarHBondContact N-O 2.97Å
477	T	98.9	Very high	98.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.5	-168.7	-56.4	0	0	0	0	114	I412 F475 R486 S497 L498 W499	I412-T477 HydrophobicContact CD1-CG2 3.9Å; I412-T477 WeakPolarHBondContact CD1-O 3.44Å; F475-T477 VanDerWaalsContact C-N 3.3Å; T477-R486 PolarHBondContact O-NH1 2.82Å; T477-R486 PolarHBondContact O-NH2 2.82Å; T477-S497 PolarHBondContact OG1-OG 3.17Å; T477-L498 HydrophobicContact CG2-CB 4.34Å; T477-L498 WeakPolarHBondContact OG1-CB 3.39Å; T477-L498 PolarHBondContact OG1-N 2.94Å; T477-W499 HydrophobicContact CG2-CZ2 3.71Å
478	F	98.9	Very high	98.6	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.022	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	12.5	-179	-60.3	-59.2	0	0	0	113.9	V407 I412 F418 H424 F438 I466 L470 G476 L498 W499	V407-F478 HydrophobicContact CG1-CE1 3.79Å; V407-F478 HydrophobicContact CG1-CZ 4.29Å; I412-F478 HydrophobicContact CD1-CD1 4.29Å; I412-F478 HydrophobicContact CD1-CE1 4.23Å; F418-F478 WeakPolarHBondContact CB-O 3.37Å; F418-F478 HydrophobicContact CD1-CB 4.06Å; F418-F478 AromaticContact CD1-CD1 3.87Å; F418-F478 HydrophobicContact CD1-CD1 3.87Å; F418-F478 HydrophobicContact CD1-CG 4.29Å; F418-F478 HydrophobicContact CE1-CB 4.48Å; F418-F478 AromaticContact CE1-CD1 3.43Å; F418-F478 HydrophobicContact CE1-CD1 3.43Å; F418-F478 VanDerWaalsContact CE1-CD1 3.43Å; F418-F478 AromaticContact CE1-CE1 3.97Å; F418-F478 HydrophobicContact CE1-CE1 3.97Å; F418-F478 HydrophobicContact CE1-CG 4.22Å; F418-F478 HydrophobicContact CE2-CD1 4.15Å; F418-F478 HydrophobicContact CG-CB 4.35Å; F418-F478 HydrophobicContact CG-CD1 4.39Å; F418-F478 AromaticContact CZ-CD1 3.6Å; F418-F478 HydrophobicContact CZ-CD1 3.6Å; F418-F478 AromaticContact CZ-CE1 3.92Å; F418-F478 HydrophobicContact CZ-CE1 3.92Å; H424-F478 PolarHBondContact NE2-O 2.85Å; F438-F478 AromaticContact CE1-CE1 3.85Å; F438-F478 HydrophobicContact CE1-CE1 3.85Å; F438-F478 AromaticContact CE1-CZ 3.89Å; F438-F478 HydrophobicContact CE1-CZ 3.89Å; F438-F478 AromaticContact CZ-CE1 3.88Å; F438-F478 HydrophobicContact CZ-CE1 3.88Å; F438-F478 HydrophobicContact CZ-CZ 4.1Å; I466-F478 HydrophobicContact CG2-CE2 4.17Å; I466-F478 HydrophobicContact CG2-CZ 3.93Å; L470-F478 HydrophobicContact CB-CD2 4.34Å; L470-F478 HydrophobicContact CD1-CB 4.04Å; L470-F478 HydrophobicContact CD1-CD1 4.39Å; L470-F478 HydrophobicContact CD1-CD2 4.26Å; L470-F478 HydrophobicContact CD1-CG 3.98Å; G476-F478 VanDerWaalsContact C-N 3.28Å; G476-F478 PolarHBondContact O-N 3.2Å; G476-F478 VanDerWaalsContact O-N 3.13Å; F478-L498 HydrophobicContact CE2-CD2 3.68Å; F478-L498 HydrophobicContact CZ-CD2 4.31Å; F478-W499 HydrophobicContact CZ-CH2 4.2Å; F478-W499 HydrophobicContact CZ-CZ2 4.42Å
479	L	98.7	Very high	98.6	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	14%	0.136	C	C	.	.			trans	-79.8	159.7	179	-58.9	-172.4	0	0	0	112.6	L150 A152 F153 H424 C473 G476 R486	L150-L479 HydrophobicContact CD1-CD1 3.94Å; L150-L479 HydrophobicContact CD1-CD2 3.81Å; L150-L479 HydrophobicContact CD1-CG 4.48Å; A152-L479 HydrophobicContact CB-CD1 3.79Å; F153-L479 HydrophobicContact CE2-CD1 3.95Å; H424-L479 HydrophobicContact CB-CD2 4.49Å; C473-L479 HydrophobicContact CB-CD2 4.48Å; G476-L479 PolarHBondContact O-N 3.4Å; L479-R486 PolarHBondContact O-NE 3.05Å; L479-R486 PolarHBondContact O-NH2 3.23Å
480	F	98.7	Very high	98.6	Very high	51 Å²	51	34 Å²	34	22%	0.224	15%	0.154	C	C	.	.	S	Bend	trans	61.4	-178	178.9	-51.6	-82.4	0	0	0	114.7	F153 A419 A485 R486 Q489 V491	F153-F480 HydrophobicContact CE2-CE2 4.31Å; F153-F480 HydrophobicContact CE2-CZ 4.22Å; F153-F480 AromaticContact CZ-CE2 3.89Å; F153-F480 HydrophobicContact CZ-CE2 3.89Å; F153-F480 AromaticContact CZ-CZ 3.88Å; F153-F480 HydrophobicContact CZ-CZ 3.88Å; A419-F480 PolarHBondContact N-O 3.24Å; F480-A485 HydrophobicContact CB-CB 4.2Å; F480-R486 HydrophobicContact CB-CG 3.84Å; F480-R486 HydrophobicContact CD2-CG 4.07Å; F480-R486 HydrophobicContact CG-CG 4.28Å; F480-Q489 HydrophobicContact CD1-CG 4.27Å; F480-Q489 HydrophobicContact CE1-CB 4.13Å; F480-Q489 HydrophobicContact CE1-CG 3.59Å; F480-Q489 HydrophobicContact CE2-CB 4.14Å; F480-Q489 HydrophobicContact CE2-CG 4.49Å; F480-Q489 HydrophobicContact CZ-CB 3.74Å; F480-Q489 HydrophobicContact CZ-CG 3.71Å; F480-V491 HydrophobicContact CD2-CG2 3.56Å; F480-V491 HydrophobicContact CE2-CG2 3.31Å; F480-V491 HydrophobicContact CZ-CG2 4.31Å
481	N	98.7	Very high	98.5	Very high	43 Å²	43	34 Å²	34	23%	0.23	15%	0.154	C	C	.	.	S	Bend	trans	-115.4	-14.2	-168.2	-76.5	-27.3	0	0	0	114.9	G415 K417 A419 S420	G415-N481 CarbonylContact C-O 3.58Å; G415-N481 WeakPolarHBondContact CA-O 3.43Å; K417-N481 VanDerWaalsContact CA-OD1 3.23Å; K417-N481 WeakPolarHBondContact CA-OD1 3.36Å; K417-N481 HydrophobicContact CB-CB 4.29Å; K417-N481 WeakPolarHBondContact CB-OD1 3.27Å; K417-N481 HydrophobicContact CG-CB 4.15Å; K417-N481 PolarHBondContact O-OD1 2.72Å; A419-N481 WeakPolarHBondContact CB-OD1 3.26Å; A419-N481 PolarHBondContact N-OD1 2.73Å; A419-N481 VanDerWaalsContact N-OD1 3.14Å; S420-N481 PolarHBondContact N-OD1 3.14Å; S420-N481 VanDerWaalsContact N-OD1 3.08Å; S420-N481 PolarHBondContact OG-ND2 3.32Å
482	C	98.6	Very high	98.5	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.074	18%	0.176	C	C	.	.	S	Bend	trans	-159.9	165.9	177.7	62	0	0	0	0	111.1	D196 T197 A485 R486	D196-C482 PolarHBondContact O-SG 2.89Å; D196-C482 VanDerWaalsContact O-SG 3.35Å; T197-C482 HydrophobicContact CG2-CB 4.39Å; C482-A485 PolarHBondContact O-N 3.49Å; C482-R486 WeakPolarHBondContact O-CG 3.46Å; C482-R486 PolarHBondContact O-N 3.09Å
483	E	98.5	Very high	98.5	Very high	30 Å²	30	43.7 Å²	43.7	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-49.9	178.3	-163.3	-177.7	-101.4	0	0	112	Y192 P199 A200 S413 A485 R486 E487	Y192-E483 HydrophobicContact CE1-CB 4.18Å; Y192-E483 HydrophobicContact CE1-CG 4.45Å; Y192-E483 WeakPolarHBondContact CE1-OE2 3.39Å; Y192-E483 WeakPolarHBondContact OH-CG 3.4Å; Y192-E483 PolarHBondContact OH-OE2 3.05Å; P199-E483 VanDerWaalsContact CA-OE2 3.26Å; P199-E483 WeakPolarHBondContact CA-OE2 3.41Å; A200-E483 PolarHBondContact N-OE2 3.34Å; S413-E483 WeakPolarHBondContact CB-OE1 3.04Å; E483-A485 VanDerWaalsContact C-N 3.28Å; E483-A485 PolarHBondContact O-N 3.11Å; E483-R486 WeakPolarHBondContact O-CA 3.35Å; E483-R486 WeakPolarHBondContact O-CB 3.45Å; E483-R486 PolarHBondContact O-N 3Å; E483-E487 PolarHBondContact O-N 2.86Å
484	S	98.5	Very high	98.5	Very high	8 Å²	8	49.8 Å²	49.8	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-54	-41.8	177.7	-172.8	0	0	0	0	113.3	Y192 R486 E487 R488	Y192-S484 WeakPolarHBondContact CD2-OG 3.35Å; S484-R486 VanDerWaalsContact C-N 3.33Å; S484-R486 PolarHBondContact O-N 3.04Å; S484-E487 PolarHBondContact O-N 3.02Å; S484-R488 WeakPolarHBondContact O-CG 3.23Å; S484-R488 PolarHBondContact O-N 3.31Å; S484-R488 PolarHBondContact OG-NH1 3.05Å
485	A	98.5	Very high	98.5	Very high	16 Å²	16	48.6 Å²	48.6	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-35.2	177.7	0	0	0	0	0	112.2	F480 C482 E483 Q489	F480-A485 HydrophobicContact CB-CB 4.2Å; C482-A485 PolarHBondContact O-N 3.49Å; E483-A485 VanDerWaalsContact C-N 3.28Å; E483-A485 PolarHBondContact O-N 3.11Å; A485-Q489 VanDerWaalsContact O-CG 3.29Å; A485-Q489 WeakPolarHBondContact O-CG 3.2Å; A485-Q489 PolarHBondContact O-N 3.46Å
486	R	98.6	Very high	98.5	Very high	18 Å²	18	49.4 Å²	49.4	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-40.9	177.4	-66.8	166.8	169.9	-120.2	1.9	111.6	I412 T477 L479 F480 C482 E483 S484 Q489 K490 V491	I412-R486 VanDerWaalsContact CG2-CZ 3.41Å; I412-R486 VanDerWaalsContact CG2-NH1 3.31Å; T477-R486 PolarHBondContact O-NH1 2.82Å; T477-R486 PolarHBondContact O-NH2 2.82Å; L479-R486 PolarHBondContact O-NE 3.05Å; L479-R486 PolarHBondContact O-NH2 3.23Å; F480-R486 HydrophobicContact CB-CG 3.84Å; F480-R486 HydrophobicContact CD2-CG 4.07Å; F480-R486 HydrophobicContact CG-CG 4.28Å; C482-R486 WeakPolarHBondContact O-CG 3.46Å; C482-R486 PolarHBondContact O-N 3.09Å; E483-R486 WeakPolarHBondContact O-CA 3.35Å; E483-R486 WeakPolarHBondContact O-CB 3.45Å; E483-R486 PolarHBondContact O-N 3Å; S484-R486 VanDerWaalsContact C-N 3.33Å; S484-R486 PolarHBondContact O-N 3.04Å; R486-Q489 CarbonylContact O-C 3.59Å; R486-Q489 PolarHBondContact O-N 3.26Å; R486-K490 PolarHBondContact O-N 3.49Å; R486-V491 HydrophobicContact CB-CB 4.25Å; R486-V491 HydrophobicContact CB-CG2 3.99Å; R486-V491 HydrophobicContact CG-CG2 4.28Å; R486-V491 WeakPolarHBondContact O-CG2 3.45Å; R486-V491 PolarHBondContact O-N 3.34Å; R486-V491 VanDerWaalsContact O-N 3.08Å
487	E	98.1	Very high	98.5	Very high	110 Å²	110	49.4 Å²	49.4	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-47.2	175.2	-69.8	-163	166.4	0	0	111.6	Y192 E483 S484 Q489 K490	Y192-E487 VanDerWaalsContact CE2-OE2 3.32Å; Y192-E487 WeakPolarHBondContact CE2-OE2 3.42Å; Y192-E487 PolarHBondContact OH-OE1 3.15Å; Y192-E487 VanDerWaalsContact OH-OE1 3.06Å; Y192-E487 PolarHBondContact OH-OE2 3.04Å; E483-E487 PolarHBondContact O-N 2.86Å; S484-E487 PolarHBondContact O-N 3.02Å; E487-Q489 PolarHBondContact O-N 3.23Å; E487-Q489 VanDerWaalsContact O-N 3.13Å; E487-K490 PolarHBondContact O-N 3.24Å
488	R	98.2	Very high	98.5	Very high	169 Å²	169	49.4 Å²	49.4	64%	0.638	23%	0.229	S	C	*	.	H	α-helix	trans	-56.6	-32.3	175.8	-75.6	-167.1	-61.7	-103.4	3.3	113	S484	S484-R488 WeakPolarHBondContact O-CG 3.23Å; S484-R488 PolarHBondContact O-N 3.31Å; S484-R488 PolarHBondContact OG-NH1 3.05Å
489	Q	98.1	Very high	98.5	Very high	84 Å²	84	49.1 Å²	49.1	39%	0.393	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	0.1	179.6	-64.6	-63	-32.4	0	0	113.3	F480 A485 R486 E487 V491	F480-Q489 HydrophobicContact CD1-CG 4.27Å; F480-Q489 HydrophobicContact CE1-CB 4.13Å; F480-Q489 HydrophobicContact CE1-CG 3.59Å; F480-Q489 HydrophobicContact CE2-CB 4.14Å; F480-Q489 HydrophobicContact CE2-CG 4.49Å; F480-Q489 HydrophobicContact CZ-CB 3.74Å; F480-Q489 HydrophobicContact CZ-CG 3.71Å; A485-Q489 VanDerWaalsContact O-CG 3.29Å; A485-Q489 WeakPolarHBondContact O-CG 3.2Å; A485-Q489 PolarHBondContact O-N 3.46Å; R486-Q489 CarbonylContact O-C 3.59Å; R486-Q489 PolarHBondContact O-N 3.26Å; E487-Q489 PolarHBondContact O-N 3.23Å; E487-Q489 VanDerWaalsContact O-N 3.13Å; Q489-V491 VanDerWaalsContact C-N 3.26Å; Q489-V491 HydrophobicContact CB-CG2 4.07Å; Q489-V491 PolarHBondContact O-N 3.06Å
490	K	98.3	Very high	98.5	Very high	104 Å²	104	49.2 Å²	49.2	45%	0.452	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	45.3	-179.9	-61.2	174.8	154.9	-129.8	0	112.1	R486 E487 T492 E493 R494	R486-K490 PolarHBondContact O-N 3.49Å; E487-K490 PolarHBondContact O-N 3.24Å; K490-T492 VanDerWaalsContact C-N 3.28Å; K490-T492 PolarHBondContact O-N 3.27Å; K490-E493 HydrophobicContact CB-CB 4.24Å; K490-E493 HydrophobicContact CB-CG 4.49Å; K490-E493 WeakPolarHBondContact CD-OE2 3.34Å; K490-E493 IonicContact NZ-OE2 3.42Å; K490-E493 PolarHBondContact NZ-OE2 3.15Å; K490-E493 PolarHBondContact O-N 2.92Å; K490-E493 VanDerWaalsContact O-N 3.11Å; K490-R494 HydrophobicContact CB-CG 4.14Å; K490-R494 WeakPolarHBondContact O-CB 3.42Å; K490-R494 WeakPolarHBondContact O-CG 3.08Å; K490-R494 PolarHBondContact O-N 3.1Å
491	V	98.5	Very high	98.5	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-41.2	-172.6	174.6	0	0	0	0	111.7	W164 F480 R486 Q489 E493 R494 T495	W164-V491 HydrophobicContact CH2-CG1 3.76Å; W164-V491 HydrophobicContact CZ2-CG1 3.88Å; F480-V491 HydrophobicContact CD2-CG2 3.56Å; F480-V491 HydrophobicContact CE2-CG2 3.31Å; F480-V491 HydrophobicContact CZ-CG2 4.31Å; R486-V491 HydrophobicContact CB-CB 4.25Å; R486-V491 HydrophobicContact CB-CG2 3.99Å; R486-V491 HydrophobicContact CG-CG2 4.28Å; R486-V491 WeakPolarHBondContact O-CG2 3.45Å; R486-V491 PolarHBondContact O-N 3.34Å; R486-V491 VanDerWaalsContact O-N 3.08Å; Q489-V491 VanDerWaalsContact C-N 3.26Å; Q489-V491 HydrophobicContact CB-CG2 4.07Å; Q489-V491 PolarHBondContact O-N 3.06Å; V491-E493 VanDerWaalsContact C-N 3.3Å; V491-E493 PolarHBondContact O-N 3.31Å; V491-R494 PolarHBondContact O-N 3.43Å; V491-T495 HydrophobicContact CG1-CG2 4.45Å; V491-T495 WeakPolarHBondContact CG1-OG1 3.41Å; V491-T495 PolarHBondContact O-N 3.01Å; V491-T495 PolarHBondContact O-OG1 2.94Å
492	T	97.8	Very high	98.4	Very high	81 Å²	81	45.9 Å²	45.9	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-64.3	-33	178.6	51.7	0	0	0	0	112.8	W164 K490	W164-T492 HydrophobicContact CB-CG2 4.37Å; W164-T492 VanDerWaalsContact CD1-O 3.3Å; W164-T492 HydrophobicContact CD2-CG2 3.8Å; W164-T492 HydrophobicContact CE3-CG2 3.75Å; W164-T492 HydrophobicContact CG-CG2 4.08Å; W164-T492 HydrophobicContact CZ3-CG2 4.3Å; W164-T492 PolarHBondContact NE1-O 3.34Å; K490-T492 VanDerWaalsContact C-N 3.28Å; K490-T492 PolarHBondContact O-N 3.27Å
493	E	97.9	Very high	98.4	Very high	135 Å²	135	46.9 Å²	46.9	63%	0.631	22%	0.217	S	C	*	.	H	α-helix	trans	-83.4	-29.8	178.8	-61.5	170.4	-162.7	0	0	112.5	K490 V491	K490-E493 HydrophobicContact CB-CB 4.24Å; K490-E493 HydrophobicContact CB-CG 4.49Å; K490-E493 WeakPolarHBondContact CD-OE2 3.34Å; K490-E493 IonicContact NZ-OE2 3.42Å; K490-E493 PolarHBondContact NZ-OE2 3.15Å; K490-E493 PolarHBondContact O-N 2.92Å; K490-E493 VanDerWaalsContact O-N 3.11Å; V491-E493 VanDerWaalsContact C-N 3.3Å; V491-E493 PolarHBondContact O-N 3.31Å
494	R	98.4	Very high	98.4	Very high	134 Å²	134	46.8 Å²	46.8	51%	0.506	22%	0.22	S	C	.	.	H	α-helix	trans	-109.8	-4	-166.2	-64.6	-179.8	63.9	-156.5	0.8	114.9	F153 K490 V491	F153-R494 HydrophobicContact CD1-CB 3.93Å; F153-R494 HydrophobicContact CE1-CB 4.05Å; K490-R494 HydrophobicContact CB-CG 4.14Å; K490-R494 WeakPolarHBondContact O-CB 3.42Å; K490-R494 WeakPolarHBondContact O-CG 3.08Å; K490-R494 PolarHBondContact O-N 3.1Å; V491-R494 PolarHBondContact O-N 3.43Å
495	T	98.8	Very high	98.2	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.067	23%	0.233	C	C	.	.	S	Bend	trans	-141.7	159.4	-178.2	70.2	0	0	0	0	110.4	A152 F153 W164 G476 V491	A152-T495 HydrophobicContact CB-CG2 4.16Å; A152-T495 WeakPolarHBondContact O-CB 3.39Å; A152-T495 WeakPolarHBondContact O-CG2 3.26Å; F153-T495 HydrophobicContact CD1-CG2 3.53Å; F153-T495 HydrophobicContact CD2-CG2 4.23Å; F153-T495 HydrophobicContact CE1-CG2 3.56Å; F153-T495 HydrophobicContact CE2-CG2 4.24Å; F153-T495 HydrophobicContact CG-CG2 3.89Å; F153-T495 HydrophobicContact CZ-CG2 3.93Å; W164-T495 WeakPolarHBondContact CZ2-OG1 3.4Å; W164-T495 PolarHBondContact NE1-O 2.83Å; G476-T495 VanDerWaalsContact CA-OG1 3.3Å; G476-T495 WeakPolarHBondContact CA-OG1 3.47Å; V491-T495 HydrophobicContact CG1-CG2 4.45Å; V491-T495 WeakPolarHBondContact CG1-OG1 3.41Å; V491-T495 PolarHBondContact O-N 3.01Å; V491-T495 PolarHBondContact O-OG1 2.94Å
496	V	98.7	Very high	98	Very high	21 Å²	21	51.5 Å²	51.5	13%	0.127	24%	0.239	C	C	.	.			trans	-85.7	144.6	173.9	-175.2	0	0	0	0	110.4	F159 F475 G476	F159-V496 HydrophobicContact CD2-CG1 3.59Å; F159-V496 HydrophobicContact CE2-CG1 3.66Å; F475-V496 CarbonylContact C-O 3.44Å; F475-V496 VanDerWaalsContact CA-O 3.27Å; F475-V496 WeakPolarHBondContact CA-O 3.49Å; F475-V496 WeakPolarHBondContact CB-O 3.42Å; F475-V496 HydrophobicContact CD1-CB 3.95Å; F475-V496 HydrophobicContact CD1-CG1 3.89Å; F475-V496 HydrophobicContact CE1-CB 4.3Å; F475-V496 HydrophobicContact CE1-CG1 3.91Å; G476-V496 PolarHBondContact N-O 2.97Å
497	S	98.8	Very high	97.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.267	C	S	.	.			trans	-80.3	140.9	171.6	-177.5	0	0	0	0	111.3	G163 F475 T477 W499 S500	G163-S497 VanDerWaalsContact C-CB 3.48Å; G163-S497 PolarHBondContact O-OG 2.95Å; F475-S497 WeakPolarHBondContact CD1-O 3.33Å; T477-S497 PolarHBondContact OG1-OG 3.17Å; S497-W499 PolarHBondContact O-N 2.94Å; S497-W499 PolarHBondContact OG-N 3.45Å; S497-S500 WeakPolarHBondContact O-CB 3.48Å; S497-S500 PolarHBondContact O-N 3.26Å
498	L	98.8	Very high	97.2	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.9	-36.7	168.7	171.1	60.4	0	0	0	111.4	I466 H469 F475 T477 F478 S500 L501 I502	I466-L498 HydrophobicContact CG1-CD2 4.12Å; H469-L498 HydrophobicContact CB-CD1 3.81Å; H469-L498 HydrophobicContact CB-CD2 4.12Å; H469-L498 VanDerWaalsContact CD2-CD1 3.42Å; H469-L498 WeakPolarHBondContact CD2-CD1 3.44Å; F475-L498 HydrophobicContact CB-CB 4.14Å; F475-L498 HydrophobicContact CD2-CB 4.06Å; F475-L498 HydrophobicContact CD2-CD1 3.85Å; F475-L498 HydrophobicContact CE2-CD1 3.88Å; F475-L498 HydrophobicContact CG-CB 4.09Å; T477-L498 HydrophobicContact CG2-CB 4.34Å; T477-L498 WeakPolarHBondContact OG1-CB 3.39Å; T477-L498 PolarHBondContact OG1-N 2.94Å; F478-L498 HydrophobicContact CE2-CD2 3.68Å; F478-L498 HydrophobicContact CZ-CD2 4.31Å; L498-S500 PolarHBondContact O-N 2.8Å; L498-L501 HydrophobicContact CD1-CD2 4.41Å; L498-L501 WeakPolarHBondContact O-CB 3.22Å; L498-L501 PolarHBondContact O-N 2.65Å; L498-I502 HydrophobicContact CD1-CD1 4.13Å; L498-I502 HydrophobicContact CD1-CG1 4.23Å; L498-I502 HydrophobicContact CD2-CD1 4.31Å; L498-I502 HydrophobicContact CG-CD1 3.93Å; L498-I502 HydrophobicContact CG-CG1 4.39Å; L498-I502 PolarHBondContact O-N 2.63Å; L498-I502 VanDerWaalsContact O-N 3.14Å
499	W	98.8	Very high	97	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-24.5	-179.5	-40.9	132.4	0	0	0	111.8	V166 E404 V407 Q408 I466 T477 F478 S497 I502 N503	V166-W499 HydrophobicContact CG1-CG 4.15Å; E404-W499 HydrophobicContact CB-CD2 4Å; E404-W499 HydrophobicContact CB-CE3 4.15Å; E404-W499 HydrophobicContact CB-CG 4.38Å; E404-W499 HydrophobicContact CB-CZ2 4.49Å; E404-W499 HydrophobicContact CB-CZ3 4.47Å; E404-W499 HydrophobicContact CG-CD2 3.79Å; E404-W499 HydrophobicContact CG-CE3 3.45Å; E404-W499 VanDerWaalsContact CG-CE3 3.45Å; E404-W499 HydrophobicContact CG-CG 4.36Å; E404-W499 HydrophobicContact CG-CH2 4.35Å; E404-W499 HydrophobicContact CG-CZ3 3.77Å; V407-W499 HydrophobicContact CB-CH2 4.4Å; V407-W499 HydrophobicContact CB-CZ2 4.17Å; V407-W499 HydrophobicContact CG1-CH2 4.26Å; V407-W499 HydrophobicContact CG1-CZ2 3.94Å; Q408-W499 VanDerWaalsContact NE2-NE1 3.19Å; I466-W499 HydrophobicContact CD1-CH2 4.22Å; I466-W499 HydrophobicContact CD1-CZ3 4.01Å; I466-W499 HydrophobicContact CG1-CH2 4.31Å; I466-W499 HydrophobicContact CG1-CZ3 3.99Å; T477-W499 HydrophobicContact CG2-CZ2 3.71Å; F478-W499 HydrophobicContact CZ-CH2 4.2Å; F478-W499 HydrophobicContact CZ-CZ2 4.42Å; S497-W499 PolarHBondContact O-N 2.94Å; S497-W499 PolarHBondContact OG-N 3.45Å; W499-I502 HydrophobicContact CE3-CD1 3.9Å; W499-I502 HydrophobicContact CZ3-CD1 3.92Å; W499-I502 PolarHBondContact O-N 3.22Å; W499-N503 VanDerWaalsContact O-CB 3.23Å; W499-N503 WeakPolarHBondContact O-CB 3.49Å; W499-N503 PolarHBondContact O-N 3.07Å; W499-N503 PolarHBondContact O-ND2 3.03Å
500	S	98.7	Very high	96.8	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-48.5	170.4	-71.7	0	0	0	0	110.9	V161 G163 S497 L498 S504	V161-S500 WeakPolarHBondContact O-CA 3.42Å; V161-S500 WeakPolarHBondContact O-CB 3.38Å; V161-S500 PolarHBondContact O-OG 3.07Å; G163-S500 PolarHBondContact N-OG 2.99Å; S497-S500 WeakPolarHBondContact O-CB 3.48Å; S497-S500 PolarHBondContact O-N 3.26Å; L498-S500 PolarHBondContact O-N 2.8Å; S500-S504 VanDerWaalsContact O-CB 3.23Å; S500-S504 WeakPolarHBondContact O-CB 3.23Å; S500-S504 PolarHBondContact O-N 3.29Å; S500-S504 PolarHBondContact O-OG 3.18Å
501	L	98.4	Very high	96.5	Very high	24 Å²	24	45.1 Å²	45.1	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-47.1	178.3	172.8	68.2	0	0	0	111.4	F159 F475 L498 N505	F159-L501 HydrophobicContact CE1-CB 3.89Å; F159-L501 HydrophobicContact CE1-CD1 3.59Å; F159-L501 HydrophobicContact CE1-CG 4.37Å; F159-L501 HydrophobicContact CZ-CB 4.02Å; F159-L501 HydrophobicContact CZ-CD1 4.02Å; F475-L501 HydrophobicContact CE1-CB 4.24Å; F475-L501 HydrophobicContact CE2-CB 4.4Å; F475-L501 HydrophobicContact CE2-CD2 3.85Å; F475-L501 HydrophobicContact CZ-CB 3.73Å; F475-L501 HydrophobicContact CZ-CD2 3.74Å; F475-L501 HydrophobicContact CZ-CG 4.28Å; L498-L501 HydrophobicContact CD1-CD2 4.41Å; L498-L501 WeakPolarHBondContact O-CB 3.22Å; L498-L501 PolarHBondContact O-N 2.65Å; L501-N505 PolarHBondContact O-N 3.2Å; L501-N505 PolarHBondContact O-ND2 3.24Å
502	I	98.4	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-52.3	-176.1	-67.3	-179.2	0	0	0	110.5	I400 E404 F462 I465 I466 L498 W499 S504 N505 K506 F509	I400-I502 HydrophobicContact CG2-CG2 4.33Å; E404-I502 WeakPolarHBondContact OE1-CG2 3.28Å; F462-I502 HydrophobicContact CD2-CD1 4.1Å; F462-I502 HydrophobicContact CD2-CG2 3.93Å; F462-I502 HydrophobicContact CE2-CD1 3.98Å; F462-I502 HydrophobicContact CE2-CG2 3.88Å; I465-I502 HydrophobicContact CG2-CD1 3.85Å; I465-I502 HydrophobicContact CG2-CG1 4.2Å; I466-I502 HydrophobicContact CG1-CD1 4.23Å; L498-I502 HydrophobicContact CD1-CD1 4.13Å; L498-I502 HydrophobicContact CD1-CG1 4.23Å; L498-I502 HydrophobicContact CD2-CD1 4.31Å; L498-I502 HydrophobicContact CG-CD1 3.93Å; L498-I502 HydrophobicContact CG-CG1 4.39Å; L498-I502 PolarHBondContact O-N 2.63Å; L498-I502 VanDerWaalsContact O-N 3.14Å; W499-I502 HydrophobicContact CE3-CD1 3.9Å; W499-I502 HydrophobicContact CZ3-CD1 3.92Å; W499-I502 PolarHBondContact O-N 3.22Å; I502-S504 VanDerWaalsContact C-N 3.3Å; I502-S504 PolarHBondContact O-N 3.45Å; I502-N505 CarbonylContact O-C 3.49Å; I502-N505 WeakPolarHBondContact O-CA 3.25Å; I502-N505 PolarHBondContact O-N 2.95Å; I502-K506 WeakPolarHBondContact O-CA 3.38Å; I502-K506 PolarHBondContact O-N 2.87Å; I502-F509 HydrophobicContact CB-CD2 4.31Å; I502-F509 HydrophobicContact CB-CE2 4.22Å; I502-F509 HydrophobicContact CG1-CE2 4.2Å; I502-F509 HydrophobicContact CG1-CZ 4.38Å; I502-F509 HydrophobicContact CG2-CD2 3.71Å; I502-F509 HydrophobicContact CG2-CE2 4.13Å; I502-F509 HydrophobicContact CG2-CG 4.2Å
503	N	98.3	Very high	95.4	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.171	22%	0.216	C	C	.	.	H	α-helix	trans	-72.2	-23.3	-176	-69.2	-39.8	0	0	0	113.4	V161 E404 W499 N505	V161-N503 HydrophobicContact CB-CB 4.28Å; V161-N503 HydrophobicContact CG1-CB 3.99Å; V161-N503 HydrophobicContact CG2-CB 4.4Å; E404-N503 PolarHBondContact OE1-ND2 3.4Å; E404-N503 PolarHBondContact OE2-ND2 3.34Å; W499-N503 VanDerWaalsContact O-CB 3.23Å; W499-N503 WeakPolarHBondContact O-CB 3.49Å; W499-N503 PolarHBondContact O-N 3.07Å; W499-N503 PolarHBondContact O-ND2 3.03Å; N503-N505 PolarHBondContact O-N 3.47Å
504	S	97.5	Very high	95.2	Very high	28 Å²	28	41.8 Å²	41.8	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-21.5	168	-56.9	0	0	0	0	113	F159 N160 S500 I502	F159-S504 WeakPolarHBondContact CB-OG 3.44Å; F159-S504 WeakPolarHBondContact CD1-OG 3.21Å; N160-S504 VanDerWaalsContact OD1-CA 3.31Å; N160-S504 WeakPolarHBondContact OD1-CA 3.39Å; N160-S504 WeakPolarHBondContact OD1-CB 3.4Å; N160-S504 PolarHBondContact OD1-OG 3.49Å; S500-S504 VanDerWaalsContact O-CB 3.23Å; S500-S504 WeakPolarHBondContact O-CB 3.23Å; S500-S504 PolarHBondContact O-N 3.29Å; S500-S504 PolarHBondContact O-OG 3.18Å; I502-S504 VanDerWaalsContact C-N 3.3Å; I502-S504 PolarHBondContact O-N 3.45Å
505	N	94.8	Very high	94.8	Very high	61 Å²	61	38.2 Å²	38.2	33%	0.326	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	34.6	-174.8	-60.2	-80.4	0	0	0	111.6	L501 I502 N503 E507 K508 F509	L501-N505 PolarHBondContact O-N 3.2Å; L501-N505 PolarHBondContact O-ND2 3.24Å; I502-N505 CarbonylContact O-C 3.49Å; I502-N505 WeakPolarHBondContact O-CA 3.25Å; I502-N505 PolarHBondContact O-N 2.95Å; N503-N505 PolarHBondContact O-N 3.47Å; N505-E507 PolarHBondContact O-N 3.42Å; N505-E507 VanDerWaalsContact O-N 3.09Å; N505-K508 WeakPolarHBondContact O-CB 3.31Å; N505-K508 PolarHBondContact O-N 3.25Å; N505-F509 HydrophobicContact CB-CE2 4.11Å; N505-F509 VanDerWaalsContact O-CD2 3.3Å; N505-F509 WeakPolarHBondContact O-CD2 3.26Å
506	K	94.1	Very high	94.3	Very high	62 Å²	62	45.4 Å²	45.4	27%	0.27	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-53.6	-37.1	-167.2	-167.4	173.3	179.7	175.6	0	113.7	I400 E457 I502 K508 F509 K510	I400-K506 HydrophobicContact CD1-CD 4.4Å; I400-K506 HydrophobicContact CD1-CG 3.72Å; E457-K506 IonicContact OE1-NZ 3.94Å; I502-K506 WeakPolarHBondContact O-CA 3.38Å; I502-K506 PolarHBondContact O-N 2.87Å; K506-K508 VanDerWaalsContact C-N 3.27Å; K506-K508 PolarHBondContact O-N 3.36Å; K506-F509 PolarHBondContact O-N 3.2Å; K506-K510 PolarHBondContact O-N 3.08Å
507	E	91.1	Very high	93.7	Very high	138 Å²	138	47 Å²	47	65%	0.645	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-61.2	-30.5	-179.8	-62.2	-52.6	129	0	0	113.5	N505 F509 K510	N505-E507 PolarHBondContact O-N 3.42Å; N505-E507 VanDerWaalsContact O-N 3.09Å; E507-F509 PolarHBondContact O-N 3.41Å; E507-K510 PolarHBondContact O-N 2.99Å; E507-K510 IonicContact OE2-NZ 3.79Å
508	K	89.3	Confident	92.9	Very high	106 Å²	106	52.8 Å²	52.8	46%	0.461	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.8	-26.6	175	-176.9	175.8	179.1	178.7	0	112.3	N459 N505 K506	N459-K508 PolarHBondContact ND2-O 2.84Å; N505-K508 WeakPolarHBondContact O-CB 3.31Å; N505-K508 PolarHBondContact O-N 3.25Å; K506-K508 VanDerWaalsContact C-N 3.27Å; K506-K508 PolarHBondContact O-N 3.36Å
509	F	94.8	Very high	91.8	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.026	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-103.1	-2.7	-171.5	-59.9	-62.1	0	0	0	112.8	I400 F458 N459 Q461 F462 I465 I502 N505 K506 E507	I400-F509 HydrophobicContact CD1-CB 4.37Å; F458-F509 CarbonylContact C-O 3.53Å; F458-F509 VanDerWaalsContact CA-O 3.23Å; F458-F509 WeakPolarHBondContact CA-O 3.48Å; N459-F509 PolarHBondContact N-O 3.22Å; N459-F509 PolarHBondContact OD1-O 3.2Å; Q461-F509 HydrophobicContact CG-CD1 4.35Å; Q461-F509 HydrophobicContact CG-CE1 4.13Å; F462-F509 HydrophobicContact CB-CB 4.02Å; F462-F509 HydrophobicContact CB-CD1 4.02Å; F462-F509 HydrophobicContact CB-CG 4.38Å; F462-F509 HydrophobicContact CD2-CB 4.13Å; F462-F509 HydrophobicContact CD2-CG 4.39Å; I465-F509 HydrophobicContact CB-CE1 4.08Å; I465-F509 HydrophobicContact CG1-CE1 4.37Å; I465-F509 HydrophobicContact CG1-CZ 4.41Å; I465-F509 HydrophobicContact CG2-CD1 4.21Å; I465-F509 HydrophobicContact CG2-CE1 3.58Å; I465-F509 HydrophobicContact CG2-CZ 4.1Å; I502-F509 HydrophobicContact CB-CD2 4.31Å; I502-F509 HydrophobicContact CB-CE2 4.22Å; I502-F509 HydrophobicContact CG1-CE2 4.2Å; I502-F509 HydrophobicContact CG1-CZ 4.38Å; I502-F509 HydrophobicContact CG2-CD2 3.71Å; I502-F509 HydrophobicContact CG2-CE2 4.13Å; I502-F509 HydrophobicContact CG2-CG 4.2Å; N505-F509 HydrophobicContact CB-CE2 4.11Å; N505-F509 VanDerWaalsContact O-CD2 3.3Å; N505-F509 WeakPolarHBondContact O-CD2 3.26Å; K506-F509 PolarHBondContact O-N 3.2Å; E507-F509 PolarHBondContact O-N 3.41Å
510	K	93.6	Very high	91.5	Very high	83 Å²	83	62.6 Å²	62.6	36%	0.361	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-78.9	128.9	-177.5	-161	172.8	-175.3	176.8	0	110.5	E457 N459 K506 E507 P512	E457-K510 HydrophobicContact CG-CG 4.44Å; E457-K510 CarbonylContact O-C 3.48Å; E457-K510 WeakPolarHBondContact O-CA 3.34Å; N459-K510 PolarHBondContact ND2-O 3.3Å; K506-K510 PolarHBondContact O-N 3.08Å; E507-K510 PolarHBondContact O-N 2.99Å; E507-K510 IonicContact OE2-NZ 3.79Å; K510-P512 WeakPolarHBondContact O-CD 3.36Å
511	N	92	Very high	91.4	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.102	31%	0.307	C	S	.	.			trans	-76.2	114.4	163	172.6	16.7	0	0	0	107.6	P453 F456 E457 F458 N459 F513 Y514	P453-N511 PolarHBondContact O-ND2 3.4Å; F456-N511 WeakPolarHBondContact O-CB 3.49Å; F456-N511 PolarHBondContact O-ND2 3.12Å; E457-N511 PolarHBondContact O-N 3.42Å; F458-N511 WeakPolarHBondContact O-CB 3.5Å; N459-N511 HydrophobicContact CB-CB 4.32Å; N511-F513 PolarHBondContact O-N 2.97Å; N511-F513 WeakPolarHBondContact OD1-CB 3.19Å; N511-F513 WeakPolarHBondContact OD1-CD2 3.38Å; N511-F513 PolarHBondContact OD1-N 2.86Å; N511-Y514 VanDerWaalsContact O-CB 3.26Å; N511-Y514 WeakPolarHBondContact O-CB 3.44Å; N511-Y514 PolarHBondContact O-N 3.26Å
512	P	85.7	Confident	91.3	Very high	31 Å²	31	62.8 Å²	62.8	20%	0.201	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.5	-175.7	33	-38.8	0	0	0	113.1	K510 Y514 Y557 M558 L561	K510-P512 WeakPolarHBondContact O-CD 3.36Å; P512-Y514 PolarHBondContact O-N 2.82Å; P512-Y557 VanDerWaalsContact C-CE1 3.49Å; P512-Y557 HydrophobicContact CB-CD1 3.83Å; P512-Y557 HydrophobicContact CB-CE1 3.27Å; P512-Y557 HydrophobicContact CG-CD1 3.44Å; P512-Y557 VanDerWaalsContact CG-CD1 3.44Å; P512-Y557 HydrophobicContact CG-CE1 3.35Å; P512-Y557 PolarHBondContact O-OH 3Å; P512-M558 HydrophobicContact CG-SD 4.34Å; P512-L561 HydrophobicContact CB-CD1 3.11Å; P512-L561 HydrophobicContact CB-CD2 4.28Å; P512-L561 HydrophobicContact CB-CG 4.23Å; P512-L561 HydrophobicContact CG-CD1 3.76Å
513	F	87.3	Confident	91.3	Very high	66 Å²	66	67.1 Å²	67.1	29%	0.289	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	0.3	175.9	-57.8	-71.9	0	0	0	113.2	T454 N511 T515 V553 Y557	T454-F513 WeakPolarHBondContact CA-O 3.34Å; T454-F513 WeakPolarHBondContact CB-O 3.24Å; T454-F513 HydrophobicContact CG2-CB 4.29Å; T454-F513 WeakPolarHBondContact CG2-O 3.47Å; N511-F513 PolarHBondContact O-N 2.97Å; N511-F513 WeakPolarHBondContact OD1-CB 3.19Å; N511-F513 WeakPolarHBondContact OD1-CD2 3.38Å; N511-F513 PolarHBondContact OD1-N 2.86Å; F513-T515 PolarHBondContact O-N 2.95Å; F513-V553 HydrophobicContact CZ-CG1 4.49Å; F513-Y557 AromaticContact CD1-CD1 3.75Å; F513-Y557 HydrophobicContact CD1-CD1 3.75Å; F513-Y557 HydrophobicContact CD1-CD2 4.36Å; F513-Y557 AromaticContact CD1-CE1 3.37Å; F513-Y557 HydrophobicContact CD1-CE1 3.37Å; F513-Y557 HydrophobicContact CD1-CE2 4.14Å; F513-Y557 HydrophobicContact CD1-CG 4.19Å; F513-Y557 AromaticContact CD1-CZ 3.65Å; F513-Y557 HydrophobicContact CD2-CD1 4.2Å; F513-Y557 HydrophobicContact CD2-CE1 4.17Å; F513-Y557 AromaticContact CE1-CD1 3.22Å; F513-Y557 HydrophobicContact CE1-CD1 3.22Å; F513-Y557 AromaticContact CE1-CD2 3.61Å; F513-Y557 HydrophobicContact CE1-CD2 3.61Å; F513-Y557 AromaticContact CE1-CE1 3.36Å; F513-Y557 HydrophobicContact CE1-CE1 3.36Å; F513-Y557 AromaticContact CE1-CE2 3.84Å; F513-Y557 HydrophobicContact CE1-CE2 3.84Å; F513-Y557 AromaticContact CE1-CG 3.31Å; F513-Y557 HydrophobicContact CE1-CG 3.31Å; F513-Y557 AromaticContact CE1-CZ 3.74Å; F513-Y557 AromaticContact CE2-CD1 3.72Å; F513-Y557 HydrophobicContact CE2-CD1 3.72Å; F513-Y557 HydrophobicContact CE2-CE1 4.16Å; F513-Y557 HydrophobicContact CE2-CG 4.34Å; F513-Y557 HydrophobicContact CG-CD1 4.21Å; F513-Y557 AromaticContact CG-CE1 3.81Å; F513-Y557 HydrophobicContact CG-CE1 3.81Å; F513-Y557 AromaticContact CZ-CD1 3.2Å; F513-Y557 HydrophobicContact CZ-CD1 3.2Å; F513-Y557 HydrophobicContact CZ-CD2 4.17Å; F513-Y557 AromaticContact CZ-CE1 3.78Å; F513-Y557 HydrophobicContact CZ-CE1 3.78Å; F513-Y557 AromaticContact CZ-CG 3.41Å; F513-Y557 HydrophobicContact CZ-CG 3.41Å; F513-Y557 VanDerWaalsContact CZ-CG 3.41Å
514	Y	93.3	Very high	91.3	Very high	51 Å²	51	66 Å²	66	20%	0.2	31%	0.312	C	S	.	.			trans	-60.3	124.5	-176	175.2	-119.3	0	0	0	112.3	T454 F456 E457 N511 P512 K516	T454-Y514 CarbonylContact O-C 3.54Å; T454-Y514 WeakPolarHBondContact O-CA 3.35Å; T454-Y514 WeakPolarHBondContact O-CD2 3.4Å; F456-Y514 WeakPolarHBondContact O-CD2 3.35Å; E457-Y514 VanDerWaalsContact CA-CG 3.44Å; E457-Y514 HydrophobicContact CB-CD1 3.75Å; E457-Y514 HydrophobicContact CB-CD2 4.1Å; E457-Y514 HydrophobicContact CB-CE1 3.84Å; E457-Y514 HydrophobicContact CB-CE2 4.18Å; E457-Y514 HydrophobicContact CB-CG 3.88Å; E457-Y514 HydrophobicContact CG-CD1 3.78Å; E457-Y514 HydrophobicContact CG-CE1 4.03Å; E457-Y514 HydrophobicContact CG-CG 4.27Å; E457-Y514 VanDerWaalsContact N-CD2 3.26Å; N511-Y514 VanDerWaalsContact O-CB 3.26Å; N511-Y514 WeakPolarHBondContact O-CB 3.44Å; N511-Y514 PolarHBondContact O-N 3.26Å; P512-Y514 PolarHBondContact O-N 2.82Å; Y514-K516 HydrophobicContact CE1-CB 4.19Å
515	T	89.9	Confident	91.3	Very high	60 Å²	60	67.7 Å²	67.7	37%	0.368	32%	0.322	S	S	.	.			trans	-111.6	121.7	169.9	52.3	0	0	0	0	109.1	T454 F513 E517	T454-T515 WeakPolarHBondContact CB-OG1 3.38Å; T454-T515 PolarHBondContact O-N 3.27Å; T454-T515 PolarHBondContact O-OG1 3.36Å; T454-T515 PolarHBondContact OG1-OG1 2.77Å; F513-T515 PolarHBondContact O-N 2.95Å; T515-E517 PolarHBondContact O-N 3Å; T515-E517 PolarHBondContact OG1-OE1 3.39Å
516	K	88.5	Confident	91.5	Very high	162 Å²	162	65.8 Å²	65.8	70%	0.704	31%	0.314	S	S	*	.			trans	-70.9	100.4	175.6	-173.7	174.7	-178.4	175.5	0	109.5	Y514	Y514-K516 HydrophobicContact CE1-CB 4.19Å
517	E	85.1	Confident	91.7	Very high	55 Å²	55	63.8 Å²	63.8	26%	0.257	31%	0.308	S	S	.	.			trans	-108.1	107.8	178.1	-69	174.3	-176.4	0	0	110.1	S395 T515 R520	S395-E517 WeakPolarHBondContact CB-O 3.11Å; S395-E517 PolarHBondContact OG-O 3.27Å; T515-E517 PolarHBondContact O-N 3Å; T515-E517 PolarHBondContact OG1-OE1 3.39Å; E517-R520 HydrophobicContact CB-CB 4.22Å; E517-R520 IonicContact OE1-NH1 2.79Å; E517-R520 PolarHBondContact OE1-NH1 2.8Å; E517-R520 WeakPolarHBondContact OE2-CD 3.4Å; E517-R520 IonicContact OE2-CZ 3.62Å; E517-R520 IonicContact OE2-NE 2.7Å; E517-R520 IonicContact OE2-NH1 3.56Å; E517-R520 PolarHBondContact OE2-NH1 3.06Å
518	I	82.9	Confident	91.9	Very high	120 Å²	120	61.4 Å²	61.4	62%	0.615	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	134.2	179.4	-56.9	174.1	0	0	0	108.5	R520	I518-R520 PolarHBondContact O-N 3.1Å; I518-R520 VanDerWaalsContact O-N 3.1Å
519	N	75.1	Confident	92.3	Very high	100 Å²	100	66.5 Å²	66.5	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	8.4	173.5	-56.8	-20.8	0	0	0	117.1	V521	N519-V521 PolarHBondContact O-N 2.88Å
520	R	92.6	Very high	92.3	Very high	106 Å²	106	70.4 Å²	70.4	40%	0.4	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-76	118.3	171.1	-177.3	-172.9	177.2	-178.5	-0.8	110.2	R398 E517 I518 L522	R398-R520 PolarHBondContact NH1-O 3.21Å; R398-R520 VanDerWaalsContact NH1-O 3.08Å; R398-R520 PolarHBondContact NH2-O 2.97Å; E517-R520 HydrophobicContact CB-CB 4.22Å; E517-R520 IonicContact OE1-NH1 2.79Å; E517-R520 PolarHBondContact OE1-NH1 2.8Å; E517-R520 WeakPolarHBondContact OE2-CD 3.4Å; E517-R520 IonicContact OE2-CZ 3.62Å; E517-R520 IonicContact OE2-NE 2.7Å; E517-R520 IonicContact OE2-NH1 3.56Å; E517-R520 PolarHBondContact OE2-NH1 3.06Å; I518-R520 PolarHBondContact O-N 3.1Å; I518-R520 VanDerWaalsContact O-N 3.1Å; R520-L522 HydrophobicContact CG-CD2 4.45Å
521	V	96.6	Very high	92.5	Very high	32 Å²	32	66.9 Å²	66.9	19%	0.194	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-78.3	136.4	170.1	-175.6	0	0	0	0	110.3	M392 L393 N519 Y523	M392-V521 CarbonylContact O-C 3.51Å; M392-V521 VanDerWaalsContact O-CA 3.29Å; M392-V521 WeakPolarHBondContact O-CA 3.47Å; L393-V521 HydrophobicContact CD2-CG1 4.16Å; L393-V521 HydrophobicContact CD2-CG2 4.32Å; N519-V521 PolarHBondContact O-N 2.88Å; V521-Y523 HydrophobicContact CB-CE2 4.05Å; V521-Y523 HydrophobicContact CG1-CD2 4.21Å; V521-Y523 HydrophobicContact CG1-CE1 4.16Å; V521-Y523 HydrophobicContact CG1-CE2 3.6Å
522	L	97.8	Very high	92.8	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-98.8	128.2	176	-55.7	-177.6	0	0	0	110.7	M392 F452 A455 F456 R520 P524	M392-L522 VanDerWaalsContact CB-O 3.29Å; M392-L522 WeakPolarHBondContact CB-O 3.47Å; M392-L522 WeakPolarHBondContact CG-O 3.3Å; M392-L522 PolarHBondContact O-N 3.42Å; F452-L522 HydrophobicContact CB-CD1 4.36Å; F452-L522 HydrophobicContact CD1-CD2 3.98Å; F452-L522 HydrophobicContact CD2-CB 4.21Å; F452-L522 HydrophobicContact CD2-CD1 4.05Å; F452-L522 HydrophobicContact CD2-CD2 4.43Å; F452-L522 HydrophobicContact CD2-CG 4.47Å; F452-L522 HydrophobicContact CE1-CD2 4.28Å; F452-L522 HydrophobicContact CE2-CB 3.98Å; F452-L522 HydrophobicContact CG-CD1 4.2Å; F452-L522 HydrophobicContact CG-CD2 4.07Å; F452-L522 HydrophobicContact CZ-CB 4.24Å; A455-L522 HydrophobicContact CB-CD1 3.77Å; A455-L522 HydrophobicContact CB-CD2 4.12Å; F456-L522 HydrophobicContact CE2-CD1 4.02Å; F456-L522 HydrophobicContact CZ-CD1 3.99Å; R520-L522 HydrophobicContact CG-CD2 4.45Å; L522-P524 WeakPolarHBondContact O-CD 3.29Å
523	Y	97.8	Very high	93.4	Very high	91 Å²	91	70 Å²	70	36%	0.357	33%	0.329	S	S	.	.			trans	-118.1	87.3	174.7	-70.1	-70	0	0	0	109.8	I358 D362 S365 V521	I358-Y523 HydrophobicContact CG2-CD1 4.29Å; D362-Y523 HydrophobicContact CB-CE1 3.98Å; S365-Y523 VanDerWaalsContact CB-OH 3.24Å; S365-Y523 WeakPolarHBondContact CB-OH 3.38Å; S365-Y523 PolarHBondContact OG-OH 3.37Å; V521-Y523 HydrophobicContact CB-CE2 4.05Å; V521-Y523 HydrophobicContact CG1-CD2 4.21Å; V521-Y523 HydrophobicContact CG1-CE1 4.16Å; V521-Y523 HydrophobicContact CG1-CE2 3.6Å
524	P	97.9	Very high	93.9	Very high	7 Å²	7	66.8 Å²	66.8	5%	0.045	32%	0.315	C	S	.	.			trans	-64.2	154.2	176.7	24.6	-30.7	0	0	0	111.3	L354 I358 M392 M448 F452 L522 A526	L354-P524 HydrophobicContact CD2-CG 4.41Å; I358-P524 HydrophobicContact CD1-CG 4.05Å; I358-P524 WeakPolarHBondContact CD1-O 3.3Å; I358-P524 HydrophobicContact CG1-CG 4.02Å; M392-P524 HydrophobicContact CE-CG 3.73Å; M392-P524 HydrophobicContact SD-CG 4.44Å; M448-P524 HydrophobicContact CG-CB 4.12Å; M448-P524 HydrophobicContact CG-CG 3.92Å; M448-P524 HydrophobicContact SD-CG 4.14Å; F452-P524 HydrophobicContact CE2-CB 3.94Å; L522-P524 WeakPolarHBondContact O-CD 3.29Å; P524-A526 PolarHBondContact O-N 3.3Å
525	V	98.4	Very high	94	Very high	65 Å²	65	66.9 Å²	66.9	39%	0.394	32%	0.321	S	S	.	.			trans	-87.9	101.5	173.7	-175.9	0	0	0	0	109	Q451 S527 H530	Q451-V525 PolarHBondContact NE2-O 2.82Å; V525-S527 VanDerWaalsContact C-N 3.3Å; V525-S527 PolarHBondContact O-N 2.71Å; V525-H530 HydrophobicContact CB-CB 4.19Å; V525-H530 HydrophobicContact CG1-CB 4.19Å; V525-H530 WeakPolarHBondContact CG1-ND1 3.48Å
526	A	97.8	Very high	94.1	Very high	20 Å²	20	67.4 Å²	67.4	17%	0.165	32%	0.321	C	S	.	.			trans	-80.4	73.6	174.4	0	0	0	0	0	111.2	K351 L354 T355 I358 P524	K351-A526 HydrophobicContact CG-CB 4.35Å; K351-A526 WeakPolarHBondContact CG-O 3.48Å; L354-A526 HydrophobicContact CB-CB 3.94Å; T355-A526 VanDerWaalsContact OG1-CB 3.28Å; T355-A526 WeakPolarHBondContact OG1-CB 3.42Å; I358-A526 HydrophobicContact CD1-CB 3.76Å; P524-A526 PolarHBondContact O-N 3.3Å
527	S	97.8	Very high	94.5	Very high	20 Å²	20	59.8 Å²	59.8	14%	0.14	29%	0.288	C	S	.	.	S	Bend	trans	-134.7	142.8	-180	179.6	0	0	0	0	110.7	V525 R529 H530 L531	V525-S527 VanDerWaalsContact C-N 3.3Å; V525-S527 PolarHBondContact O-N 2.71Å; S527-R529 PolarHBondContact O-N 3.1Å; S527-R529 PolarHBondContact OG-N 3.31Å; S527-H530 PolarHBondContact O-N 3.29Å; S527-L531 WeakPolarHBondContact O-CG 3.12Å; S527-L531 PolarHBondContact O-N 3.04Å
528	M	96.4	Very high	95.1	Very high	89 Å²	89	57.2 Å²	57.2	44%	0.438	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.6	175.4	-60.4	-58.9	-67.9	0	0	113.4	L347 K351	L347-M528 HydrophobicContact CB-CE 3.66Å; L347-M528 HydrophobicContact CB-SD 4.17Å; K351-M528 HydrophobicContact CD-CG 4.36Å; K351-M528 HydrophobicContact CD-SD 4.25Å
529	R	96.3	Very high	95.7	Very high	213 Å²	213	52.3 Å²	52.3	80%	0.804	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.5	175.6	-63	-173.3	-63.6	-87.4	1.4	114.4	S527	S527-R529 PolarHBondContact O-N 3.1Å; S527-R529 PolarHBondContact OG-N 3.31Å
530	H	96.3	Very high	96.5	Very high	87 Å²	87	48.6 Å²	48.6	40%	0.403	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-13.5	-174	-63.8	79	0	0	0	112.9	V525 S527	V525-H530 HydrophobicContact CB-CB 4.19Å; V525-H530 HydrophobicContact CG1-CB 4.19Å; V525-H530 WeakPolarHBondContact CG1-ND1 3.48Å; S527-H530 PolarHBondContact O-N 3.29Å
531	L	98	Very high	96.4	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	22%	0.218	C	C	.	.			trans	-91.2	136.1	175.1	-60.3	176.9	0	0	0	109.1	I350 K351 L354 Q447 S527	I350-L531 HydrophobicContact CG2-CD1 4.29Å; K351-L531 HydrophobicContact CB-CD1 3.6Å; K351-L531 HydrophobicContact CG-CD1 4.33Å; L354-L531 HydrophobicContact CD1-CD2 3.61Å; Q447-L531 HydrophobicContact CB-CD2 4.02Å; Q447-L531 HydrophobicContact CG-CD2 3.91Å; S527-L531 WeakPolarHBondContact O-CG 3.12Å; S527-L531 PolarHBondContact O-N 3.04Å
532	E	97.5	Very high	96	Very high	102 Å²	102	45.6 Å²	45.6	48%	0.477	22%	0.217	S	C	.	.			trans	-114.8	152.3	-178.1	-67.3	173.8	-141.8	0	0	109.9	L347 W446 Q447 W534	L347-E532 WeakPolarHBondContact CD2-O 3.31Å; W446-E532 HydrophobicContact CH2-CB 3.81Å; W446-E532 HydrophobicContact CZ3-CB 4.06Å; W446-E532 WeakPolarHBondContact CZ3-O 3.41Å; Q447-E532 PolarHBondContact NE2-O 3.03Å; Q447-E532 VanDerWaalsContact OE1-N 3.12Å; E532-W534 PolarHBondContact O-N 3.14Å
533	L	98.1	Very high	95.2	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	23%	0.228	C	C	.	.			trans	-71.7	130	164.9	-176.4	72	0	0	0	108.5	V324 V328 W337 L341 V535 Y538 I539	V324-L533 HydrophobicContact CG1-CD1 4.35Å; V328-L533 HydrophobicContact CG1-CD2 4.17Å; W337-L533 HydrophobicContact CH2-CD2 3.35Å; W337-L533 HydrophobicContact CZ2-CD2 3.51Å; L341-L533 HydrophobicContact CD1-CD1 4.07Å; L341-L533 HydrophobicContact CD1-CD2 4.32Å; L341-L533 HydrophobicContact CD2-CB 4.25Å; L533-V535 VanDerWaalsContact C-N 3.3Å; L533-V535 PolarHBondContact O-N 3.4Å; L533-Y538 HydrophobicContact CD1-CD2 3.59Å; L533-Y538 HydrophobicContact CD1-CE2 4.01Å; L533-Y538 HydrophobicContact CD1-CG 4.3Å; L533-Y538 HydrophobicContact CG-CD2 4.01Å; L533-I539 HydrophobicContact CD2-CD1 4.17Å
534	W	97.6	Very high	94.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.			trans	-71.9	81.3	178.8	-173.4	8.1	0	0	0	112.4	I442 D443 W446 E460 L463 I464 L467 E532 N536 Y537 Y538	I442-W534 HydrophobicContact CG2-CH2 3.84Å; I442-W534 HydrophobicContact CG2-CZ3 3.81Å; D443-W534 HydrophobicContact CB-CE3 4.44Å; W446-W534 HydrophobicContact CB-CD2 4.12Å; W446-W534 HydrophobicContact CB-CE3 4.02Å; W446-W534 HydrophobicContact CB-CH2 4.27Å; W446-W534 HydrophobicContact CB-CZ2 4.33Å; W446-W534 HydrophobicContact CB-CZ3 4.11Å; W446-W534 AromaticContact CD1-CD1 3.89Å; W446-W534 AromaticContact CD1-CD2 3.91Å; W446-W534 AromaticContact CD1-CE2 3.44Å; W446-W534 VanDerWaalsContact CD1-CE2 3.44Å; W446-W534 AromaticContact CD1-CZ2 3.77Å; W446-W534 AromaticContact CD1-NE1 3.46Å; W446-W534 HydrophobicContact CD2-CB 3.94Å; W446-W534 AromaticContact CD2-CD1 3.77Å; W446-W534 AromaticContact CD2-CD2 3.87Å; W446-W534 HydrophobicContact CD2-CD2 3.87Å; W446-W534 HydrophobicContact CD2-CE3 4.47Å; W446-W534 AromaticContact CD2-CG 3.61Å; W446-W534 HydrophobicContact CD2-CG 3.61Å; W446-W534 AromaticContact CE2-CD1 3.29Å; W446-W534 AromaticContact CE2-CG 3.63Å; W446-W534 AromaticContact CE2-NE1 3.68Å; W446-W534 HydrophobicContact CE3-CB 3.75Å; W446-W534 HydrophobicContact CE3-CD2 4.42Å; W446-W534 AromaticContact CE3-CG 3.96Å; W446-W534 HydrophobicContact CE3-CG 3.96Å; W446-W534 AromaticContact CG-CD2 3.71Å; W446-W534 HydrophobicContact CG-CD2 3.71Å; W446-W534 AromaticContact CG-CE2 3.72Å; W446-W534 HydrophobicContact CG-CE3 4.11Å; W446-W534 AromaticContact CG-CG 3.99Å; W446-W534 HydrophobicContact CG-CG 3.99Å; W446-W534 HydrophobicContact CG-CZ2 4.13Å; W446-W534 AromaticContact CG-NE1 3.99Å; W446-W534 HydrophobicContact CH2-CB 4.01Å; W446-W534 HydrophobicContact CH2-CG 4.36Å; W446-W534 HydrophobicContact CZ2-CB 4.16Å; W446-W534 AromaticContact CZ2-CD1 3.59Å; W446-W534 HydrophobicContact CZ2-CG 4.01Å; W446-W534 HydrophobicContact CZ3-CB 3.8Å; W446-W534 HydrophobicContact CZ3-CG 4.32Å; W446-W534 AromaticContact NE1-CD1 3.35Å; W446-W534 AromaticContact NE1-CE2 3.71Å; W446-W534 AromaticContact NE1-CG 3.95Å; W446-W534 AromaticContact NE1-NE1 3.2Å; E460-W534 HydrophobicContact CG-CZ2 4.01Å; E460-W534 VanDerWaalsContact OE1-CD1 3.31Å; E460-W534 PolarHBondContact OE1-NE1 3.31Å; L463-W534 HydrophobicContact CB-CH2 3.67Å; L463-W534 HydrophobicContact CB-CZ2 4.09Å; L463-W534 HydrophobicContact CD1-CH2 4.49Å; I464-W534 HydrophobicContact CD1-CZ2 4.35Å; I464-W534 HydrophobicContact CG1-CH2 4.28Å; I464-W534 HydrophobicContact CG1-CZ2 3.64Å; L467-W534 HydrophobicContact CD1-CH2 3.85Å; L467-W534 HydrophobicContact CD1-CZ3 3.67Å; E532-W534 PolarHBondContact O-N 3.14Å; W534-N536 VanDerWaalsContact C-N 3.3Å; W534-N536 PolarHBondContact O-N 3.11Å; W534-Y537 VanDerWaalsContact CD2-CB 3.5Å; W534-Y537 HydrophobicContact CD2-CG 4.4Å; W534-Y537 HydrophobicContact CE3-CG 4.29Å; W534-Y537 HydrophobicContact CZ3-CG 4.42Å; W534-Y537 PolarHBondContact O-N 2.84Å; W534-Y537 VanDerWaalsContact O-N 3.08Å; W534-Y538 HydrophobicContact CB-CD2 3.8Å; W534-Y538 HydrophobicContact CB-CE2 3.68Å; W534-Y538 WeakPolarHBondContact O-CD2 3.45Å; W534-Y538 PolarHBondContact O-N 3.37Å
535	V	94.9	Very high	93	Very high	52 Å²	52	53.5 Å²	53.5	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-54.9	-44.3	-175.2	173.9	0	0	0	0	112.1	L533 Y537 I539 R540 I545	L533-V535 VanDerWaalsContact C-N 3.3Å; L533-V535 PolarHBondContact O-N 3.4Å; V535-Y537 PolarHBondContact O-N 2.91Å; V535-Y537 VanDerWaalsContact O-N 3.11Å; V535-I539 HydrophobicContact CG1-CB 4.28Å; V535-I539 HydrophobicContact CG1-CD1 4.38Å; V535-I539 HydrophobicContact CG1-CG1 4.45Å; V535-I539 HydrophobicContact CG2-CD1 4.35Å; V535-I539 WeakPolarHBondContact O-CA 3.34Å; V535-I539 PolarHBondContact O-N 3.14Å; V535-R540 PolarHBondContact O-N 3.02Å; V535-I545 HydrophobicContact CG1-CD1 4.21Å; V535-I545 HydrophobicContact CG1-CG2 3.86Å
536	N	93.2	Very high	91.2	Very high	72 Å²	72	57 Å²	57	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-67.7	-9.3	-177.7	-70.2	-12.9	0	0	0	114.2	E460 I464 W534 R540	E460-N536 WeakPolarHBondContact OE1-CB 3.43Å; E460-N536 PolarHBondContact OE1-ND2 3.03Å; E460-N536 PolarHBondContact OE2-ND2 3.45Å; I464-N536 HydrophobicContact CD1-CB 4.44Å; W534-N536 VanDerWaalsContact C-N 3.3Å; W534-N536 PolarHBondContact O-N 3.11Å; N536-R540 VanDerWaalsContact O-CB 3.23Å; N536-R540 WeakPolarHBondContact O-CB 3.3Å
537	Y	96.4	Very high	89	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-107.7	-53.4	169.2	-176.8	-101.7	0	0	0	111.8	L439 L467 Y471 W534 V535 I539 R540	L439-Y537 HydrophobicContact CD1-CD1 3.97Å; L439-Y537 HydrophobicContact CD1-CE1 3.33Å; L439-Y537 HydrophobicContact CD2-CE1 3.99Å; L439-Y537 HydrophobicContact CG-CE1 4.33Å; L467-Y537 HydrophobicContact CB-CD2 4.41Å; L467-Y537 HydrophobicContact CB-CE2 3.55Å; L467-Y537 HydrophobicContact CD1-CD1 4.42Å; L467-Y537 HydrophobicContact CD1-CD2 3.78Å; L467-Y537 HydrophobicContact CD1-CE1 4.18Å; L467-Y537 HydrophobicContact CD1-CE2 3.49Å; L467-Y537 VanDerWaalsContact CD1-CE2 3.49Å; L467-Y537 HydrophobicContact CD1-CG 4.23Å; L467-Y537 HydrophobicContact CG-CE2 4.16Å; Y471-Y537 WeakPolarHBondContact CE2-OH 3.34Å; W534-Y537 VanDerWaalsContact CD2-CB 3.5Å; W534-Y537 HydrophobicContact CD2-CG 4.4Å; W534-Y537 HydrophobicContact CE3-CG 4.29Å; W534-Y537 HydrophobicContact CZ3-CG 4.42Å; W534-Y537 PolarHBondContact O-N 2.84Å; W534-Y537 VanDerWaalsContact O-N 3.08Å; V535-Y537 PolarHBondContact O-N 2.91Å; V535-Y537 VanDerWaalsContact O-N 3.11Å; Y537-I539 PolarHBondContact O-N 2.74Å; Y537-R540 WeakPolarHBondContact O-CG 3.41Å
538	Y	97.6	Very high	86.8	Confident	1 Å²	1	68.6 Å²	68.6	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-75.2	-26.4	-171.3	-62	-64	0	0	0	114.4	M116 L321 V324 V328 W346 L439 D443 L533 W534	M116-Y538 HydrophobicContact CE-CD1 3.89Å; M116-Y538 HydrophobicContact CG-CD1 4.02Å; M116-Y538 HydrophobicContact SD-CD1 4.15Å; L321-Y538 HydrophobicContact CD1-CD1 4.44Å; L321-Y538 HydrophobicContact CD1-CE1 3.92Å; V324-Y538 HydrophobicContact CG1-CD1 4.37Å; V324-Y538 HydrophobicContact CG1-CG 4.47Å; V328-Y538 WeakPolarHBondContact CG2-O 3.3Å; W346-Y538 AromaticContact CE2-CZ 3.98Å; W346-Y538 HydrophobicContact CZ2-CE1 4.46Å; W346-Y538 WeakPolarHBondContact CZ2-OH 3.47Å; W346-Y538 AromaticContact NE1-CE2 3.91Å; W346-Y538 AromaticContact NE1-CZ 3.65Å; W346-Y538 PolarHBondContact NE1-OH 2.88Å; L439-Y538 HydrophobicContact CD2-CE1 4.23Å; D443-Y538 VanDerWaalsContact OD2-CE2 3.29Å; D443-Y538 WeakPolarHBondContact OD2-CE2 3.39Å; D443-Y538 PolarHBondContact OD2-OH 2.92Å; L533-Y538 HydrophobicContact CD1-CD2 3.59Å; L533-Y538 HydrophobicContact CD1-CE2 4.01Å; L533-Y538 HydrophobicContact CD1-CG 4.3Å; L533-Y538 HydrophobicContact CG-CD2 4.01Å; W534-Y538 HydrophobicContact CB-CD2 3.8Å; W534-Y538 HydrophobicContact CB-CE2 3.68Å; W534-Y538 WeakPolarHBondContact O-CD2 3.45Å; W534-Y538 PolarHBondContact O-N 3.37Å
539	I	94.9	Very high	84.5	Confident	18 Å²	18	71 Å²	71	9%	0.092	32%	0.321	C	S	.	.	S	Bend	trans	-122.1	10.3	-173.7	-34.5	-173.7	0	0	0	111.8	V328 V332 W337 L533 V535 Y537 W541 N542 I545	V328-I539 HydrophobicContact CB-CD1 4.38Å; V328-I539 HydrophobicContact CB-CG1 4.08Å; V328-I539 HydrophobicContact CG1-CD1 4.15Å; V328-I539 HydrophobicContact CG1-CG1 4.15Å; V332-I539 HydrophobicContact CG2-CG2 4.45Å; W337-I539 HydrophobicContact CH2-CD1 4.01Å; L533-I539 HydrophobicContact CD2-CD1 4.17Å; V535-I539 HydrophobicContact CG1-CB 4.28Å; V535-I539 HydrophobicContact CG1-CD1 4.38Å; V535-I539 HydrophobicContact CG1-CG1 4.45Å; V535-I539 HydrophobicContact CG2-CD1 4.35Å; V535-I539 WeakPolarHBondContact O-CA 3.34Å; V535-I539 PolarHBondContact O-N 3.14Å; Y537-I539 PolarHBondContact O-N 2.74Å; I539-W541 PolarHBondContact O-N 2.96Å; I539-N542 PolarHBondContact O-N 2.9Å; I539-I545 HydrophobicContact CG2-CG1 4.37Å
540	R	92.4	Very high	82.6	Confident	22 Å²	22	64.2 Å²	64.2	8%	0.083	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.6	-172.2	72.1	-176.9	169.6	159.3	-0.6	116.1	D468 V535 N536 Y537 K546	D468-R540 VanDerWaalsContact CG-NH1 3.31Å; D468-R540 IonicContact OD1-CZ 3.02Å; D468-R540 IonicContact OD1-NH1 3.88Å; D468-R540 PolarHBondContact OD1-NH1 3.08Å; D468-R540 IonicContact OD1-NH2 3.49Å; D468-R540 PolarHBondContact OD1-NH2 2.73Å; D468-R540 IonicContact OD2-NH1 3.62Å; D468-R540 PolarHBondContact OD2-NH1 3.09Å; V535-R540 PolarHBondContact O-N 3.02Å; N536-R540 VanDerWaalsContact O-CB 3.23Å; N536-R540 WeakPolarHBondContact O-CB 3.3Å; Y537-R540 WeakPolarHBondContact O-CG 3.41Å; R540-K546 WeakPolarHBondContact O-CE 3.48Å; R540-K546 VanDerWaalsContact O-CG 3.25Å; R540-K546 WeakPolarHBondContact O-CG 3.05Å
541	W	91.1	Very high	80.8	Confident	42 Å²	42	64.3 Å²	64.3	16%	0.159	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-17.2	-179.4	-55.6	118.1	0	0	0	113.6	F55 D115 R117 Y329 I539 P543	F55-W541 HydrophobicContact CE2-CB 4.41Å; F55-W541 WeakPolarHBondContact CE2-O 3.44Å; D115-W541 HydrophobicContact CB-CZ2 4.09Å; D115-W541 PolarHBondContact O-NE1 3.04Å; D115-W541 WeakPolarHBondContact OD2-CZ2 3.26Å; R117-W541 HydrophobicContact CB-CG 4.01Å; R117-W541 HydrophobicContact CG-CD2 4.3Å; R117-W541 HydrophobicContact CG-CG 4.26Å; R117-W541 HydrophobicContact CG-CZ2 4.5Å; Y329-W541 HydrophobicContact CD2-CB 4.45Å; Y329-W541 HydrophobicContact CE2-CB 3.95Å; I539-W541 PolarHBondContact O-N 2.96Å; W541-P543 WeakPolarHBondContact O-CD 3.16Å
542	N	87.1	Confident	78.9	Confident	33 Å²	33	68.5 Å²	68.5	18%	0.176	34%	0.336	C	S	.	.	S	Bend	trans	-70.9	120.3	174.6	-174	-26.1	0	0	0	109.5	F55 I539 R544 I545 K546	F55-N542 HydrophobicContact CD1-CB 4.49Å; F55-N542 HydrophobicContact CE1-CB 3.89Å; F55-N542 HydrophobicContact CZ-CB 4.13Å; I539-N542 PolarHBondContact O-N 2.9Å; N542-R544 PolarHBondContact O-N 2.63Å; N542-R544 VanDerWaalsContact O-N 3.12Å; N542-R544 WeakPolarHBondContact OD1-CB 3.23Å; N542-R544 PolarHBondContact OD1-N 3.25Å; N542-I545 HydrophobicContact CB-CB 4.41Å; N542-I545 HydrophobicContact CB-CG1 4Å; N542-I545 PolarHBondContact O-N 3.16Å; N542-K546 PolarHBondContact O-N 2.83Å; N542-K546 VanDerWaalsContact O-N 3.13Å
543	P	81.1	Confident	77.1	Confident	36 Å²	36	68 Å²	68	23%	0.234	34%	0.339	C	S	.	.	H	α-helix	trans	-56.9	-29.2	-179.4	-25.8	34.5	0	0	0	113.6	F55 W541 I545 K546 Q547	F55-P543 HydrophobicContact CB-CG 3.99Å; F55-P543 VanDerWaalsContact CD2-CD 3.48Å; F55-P543 HydrophobicContact CD2-CG 4.14Å; F55-P543 VanDerWaalsContact CG-CD 3.43Å; F55-P543 HydrophobicContact CG-CG 4.17Å; W541-P543 WeakPolarHBondContact O-CD 3.16Å; P543-I545 VanDerWaalsContact C-N 3.34Å; P543-K546 PolarHBondContact O-N 2.82Å; P543-Q547 VanDerWaalsContact O-CB 3.27Å; P543-Q547 WeakPolarHBondContact O-CB 3.38Å; P543-Q547 WeakPolarHBondContact O-CG 3.38Å; P543-Q547 PolarHBondContact O-N 2.94Å
544	R	77.3	Confident	75.3	Confident	196 Å²	196	71.2 Å²	71.2	74%	0.74	35%	0.354	S	S	*	.	H	α-helix	trans	-67.7	-34.5	177.4	-63.6	-177.4	179	174.6	0.4	112.3	N542 Q548	N542-R544 PolarHBondContact O-N 2.63Å; N542-R544 VanDerWaalsContact O-N 3.12Å; N542-R544 WeakPolarHBondContact OD1-CB 3.23Å; N542-R544 PolarHBondContact OD1-N 3.25Å; R544-Q548 PolarHBondContact O-N 3.09Å
545	I	73.6	Confident	73.8	Confident	32 Å²	32	74.1 Å²	74.1	16%	0.164	37%	0.368	C	S	.	.	H	α-helix	trans	-72.8	-43.9	174.7	-60.6	-60.9	0	0	0	109.7	V535 I539 N542 P543 Q547 Q548	V535-I545 HydrophobicContact CG1-CD1 4.21Å; V535-I545 HydrophobicContact CG1-CG2 3.86Å; I539-I545 HydrophobicContact CG2-CG1 4.37Å; N542-I545 HydrophobicContact CB-CB 4.41Å; N542-I545 HydrophobicContact CB-CG1 4Å; N542-I545 PolarHBondContact O-N 3.16Å; P543-I545 VanDerWaalsContact C-N 3.34Å; I545-Q547 PolarHBondContact O-N 2.84Å; I545-Q548 WeakPolarHBondContact O-CB 3.28Å; I545-Q548 PolarHBondContact O-N 2.69Å
546	K	59.9	Low	72.5	Confident	139 Å²	139	78.8 Å²	78.8	60%	0.604	38%	0.379	S	S	*	.	H	α-helix	trans	-61.2	-28.5	173.7	-77.9	-170.9	171.5	-170.3	0	114	R540 N542 P543	R540-K546 WeakPolarHBondContact O-CE 3.48Å; R540-K546 VanDerWaalsContact O-CG 3.25Å; R540-K546 WeakPolarHBondContact O-CG 3.05Å; N542-K546 PolarHBondContact O-N 2.83Å; N542-K546 VanDerWaalsContact O-N 3.13Å; P543-K546 PolarHBondContact O-N 2.82Å
547	Q	52.6	Low	71.3	Confident	151 Å²	151	78.2 Å²	78.2	71%	0.706	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-11	179.6	-74.7	173.6	6.1	0	0	113.5	P543 I545 Q549	P543-Q547 VanDerWaalsContact O-CB 3.27Å; P543-Q547 WeakPolarHBondContact O-CB 3.38Å; P543-Q547 WeakPolarHBondContact O-CG 3.38Å; P543-Q547 PolarHBondContact O-N 2.94Å; I545-Q547 PolarHBondContact O-N 2.84Å; Q547-Q549 PolarHBondContact O-N 3.46Å
548	Q	51.4	Low	69.9	Low	132 Å²	132	83.5 Å²	83.5	62%	0.617	40%	0.398	S	S	*	.	S	Bend	trans	-62.8	112.1	165.3	-75.8	176	2.3	0	0	106.3	R544 I545	R544-Q548 PolarHBondContact O-N 3.09Å; I545-Q548 WeakPolarHBondContact O-CB 3.28Å; I545-Q548 PolarHBondContact O-N 2.69Å
549	Q	48.3	Very low	68.9	Low	139 Å²	139	88.6 Å²	88.6	65%	0.65	42%	0.422	S	S	*	.			trans	-52.2	149.9	-179.7	-64.8	-139.1	8.5	0	0	109.7	Q547 N551	Q547-Q549 PolarHBondContact O-N 3.46Å; Q549-N551 PolarHBondContact O-N 3.24Å
550	P	55.1	Low	67.9	Low	71 Å²	71	91.6 Å²	91.6	46%	0.461	44%	0.438	S	S	.	.	S	Bend	trans	-46.8	142.6	170	3.8	-10.3	0	0	0	108.7	P552 Q555	P550-P552 VanDerWaalsContact O-N 3.12Å; P550-Q555 HydrophobicContact CB-CG 3.87Å; P550-Q555 HydrophobicContact CG-CG 3.61Å
551	N	58.4	Low	67	Low	90 Å²	90	92.3 Å²	92.3	48%	0.481	44%	0.443	S	S	.	.			trans	-39.5	125.9	-176.4	175.2	-13.1	0	0	0	108.7	Q549 V553 E554 Q555	Q549-N551 PolarHBondContact O-N 3.24Å; N551-V553 CarbonylContact O-C 3.43Å; N551-V553 PolarHBondContact O-N 2.81Å; N551-V553 WeakPolarHBondContact OD1-CB 3.42Å; N551-V553 WeakPolarHBondContact OD1-CG2 3.4Å; N551-V553 PolarHBondContact OD1-N 2.7Å; N551-E554 HydrophobicContact CB-CB 4.07Å; N551-E554 WeakPolarHBondContact O-CA 3.35Å; N551-E554 WeakPolarHBondContact O-CB 3.4Å; N551-E554 PolarHBondContact O-N 2.95Å; N551-Q555 PolarHBondContact O-N 2.88Å
552	P	59.3	Low	66.3	Low	97 Å²	97	92.4 Å²	92.4	63%	0.63	45%	0.453	S	S	*	.	H	α-helix	trans	-49.3	-29.1	-176.8	-30.5	34.8	0	0	0	113.6	P550 R556	P550-P552 VanDerWaalsContact O-N 3.12Å; P552-R556 VanDerWaalsContact O-CB 3.23Å; P552-R556 WeakPolarHBondContact O-CB 3.48Å; P552-R556 PolarHBondContact O-N 3Å
553	V	58.7	Low	65.9	Low	91 Å²	91	94.2 Å²	94.2	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-67.2	-45.3	172.8	-179.4	0	0	0	0	112.4	F513 N551 R556 Y557	F513-V553 HydrophobicContact CZ-CG1 4.49Å; N551-V553 CarbonylContact O-C 3.43Å; N551-V553 PolarHBondContact O-N 2.81Å; N551-V553 WeakPolarHBondContact OD1-CB 3.42Å; N551-V553 WeakPolarHBondContact OD1-CG2 3.4Å; N551-V553 PolarHBondContact OD1-N 2.7Å; V553-R556 PolarHBondContact O-N 3.45Å; V553-Y557 VanDerWaalsContact O-CB 3.25Å; V553-Y557 WeakPolarHBondContact O-CB 3.3Å; V553-Y557 PolarHBondContact O-N 3.15Å
554	E	60.8	Low	65.9	Low	80 Å²	80	99.4 Å²	99.4	37%	0.374	48%	0.477	S	S	.	.	H	α-helix	trans	-66.7	-42	177.3	-170.7	174.2	-162.3	0	0	111.3	N551 Y557 M558	N551-E554 HydrophobicContact CB-CB 4.07Å; N551-E554 WeakPolarHBondContact O-CA 3.35Å; N551-E554 WeakPolarHBondContact O-CB 3.4Å; N551-E554 PolarHBondContact O-N 2.95Å; E554-Y557 PolarHBondContact O-N 3.3Å; E554-M558 VanDerWaalsContact O-CG 3.29Å; E554-M558 WeakPolarHBondContact O-CG 3.41Å; E554-M558 PolarHBondContact O-N 2.79Å
555	Q	65.1	Low	66	Low	62 Å²	62	94.3 Å²	94.3	29%	0.29	47%	0.465	S	S	.	.	H	α-helix	trans	-58.8	-52.2	172.1	-79.2	-173.1	-27	0	0	112	P550 N551 Y557 M558 E559	P550-Q555 HydrophobicContact CB-CG 3.87Å; P550-Q555 HydrophobicContact CG-CG 3.61Å; N551-Q555 PolarHBondContact O-N 2.88Å; Q555-Y557 PolarHBondContact O-N 3.01Å; Q555-M558 PolarHBondContact O-N 2.78Å; Q555-E559 WeakPolarHBondContact O-CG 3.36Å; Q555-E559 PolarHBondContact O-N 3.23Å
556	R	69.2	Low	66.7	Low	149 Å²	149	97.7 Å²	97.7	56%	0.562	48%	0.48	S	S	*	.	H	α-helix	trans	-59.2	-34.6	179.8	-176.8	54.5	174.3	177	0.6	111.5	P552 V553 E559 L560	P552-R556 VanDerWaalsContact O-CB 3.23Å; P552-R556 WeakPolarHBondContact O-CB 3.48Å; P552-R556 PolarHBondContact O-N 3Å; V553-R556 PolarHBondContact O-N 3.45Å; R556-E559 WeakPolarHBondContact CD-OE2 3.47Å; R556-E559 IonicContact CZ-OE2 2.85Å; R556-E559 IonicContact NH1-OE2 2.83Å; R556-E559 PolarHBondContact NH1-OE2 2.85Å; R556-E559 WeakPolarHBondContact O-CB 3.19Å; R556-L560 VanDerWaalsContact O-CG 3.29Å; R556-L560 WeakPolarHBondContact O-CG 3.49Å; R556-L560 PolarHBondContact O-N 3.14Å; R556-L560 VanDerWaalsContact O-N 3.13Å
557	Y	67.6	Low	67.8	Low	61 Å²	61	98 Å²	98	24%	0.239	48%	0.478	C	S	.	.	H	α-helix	trans	-75	-40.5	178.8	-170.3	-119.8	0	0	0	112.9	P512 F513 V553 E554 Q555 E559 L560 L561	P512-Y557 VanDerWaalsContact C-CE1 3.49Å; P512-Y557 HydrophobicContact CB-CD1 3.83Å; P512-Y557 HydrophobicContact CB-CE1 3.27Å; P512-Y557 HydrophobicContact CG-CD1 3.44Å; P512-Y557 VanDerWaalsContact CG-CD1 3.44Å; P512-Y557 HydrophobicContact CG-CE1 3.35Å; P512-Y557 PolarHBondContact O-OH 3Å; F513-Y557 AromaticContact CD1-CD1 3.75Å; F513-Y557 HydrophobicContact CD1-CD1 3.75Å; F513-Y557 HydrophobicContact CD1-CD2 4.36Å; F513-Y557 AromaticContact CD1-CE1 3.37Å; F513-Y557 HydrophobicContact CD1-CE1 3.37Å; F513-Y557 HydrophobicContact CD1-CE2 4.14Å; F513-Y557 HydrophobicContact CD1-CG 4.19Å; F513-Y557 AromaticContact CD1-CZ 3.65Å; F513-Y557 HydrophobicContact CD2-CD1 4.2Å; F513-Y557 HydrophobicContact CD2-CE1 4.17Å; F513-Y557 AromaticContact CE1-CD1 3.22Å; F513-Y557 HydrophobicContact CE1-CD1 3.22Å; F513-Y557 AromaticContact CE1-CD2 3.61Å; F513-Y557 HydrophobicContact CE1-CD2 3.61Å; F513-Y557 AromaticContact CE1-CE1 3.36Å; F513-Y557 HydrophobicContact CE1-CE1 3.36Å; F513-Y557 AromaticContact CE1-CE2 3.84Å; F513-Y557 HydrophobicContact CE1-CE2 3.84Å; F513-Y557 AromaticContact CE1-CG 3.31Å; F513-Y557 HydrophobicContact CE1-CG 3.31Å; F513-Y557 AromaticContact CE1-CZ 3.74Å; F513-Y557 AromaticContact CE2-CD1 3.72Å; F513-Y557 HydrophobicContact CE2-CD1 3.72Å; F513-Y557 HydrophobicContact CE2-CE1 4.16Å; F513-Y557 HydrophobicContact CE2-CG 4.34Å; F513-Y557 HydrophobicContact CG-CD1 4.21Å; F513-Y557 AromaticContact CG-CE1 3.81Å; F513-Y557 HydrophobicContact CG-CE1 3.81Å; F513-Y557 AromaticContact CZ-CD1 3.2Å; F513-Y557 HydrophobicContact CZ-CD1 3.2Å; F513-Y557 HydrophobicContact CZ-CD2 4.17Å; F513-Y557 AromaticContact CZ-CE1 3.78Å; F513-Y557 HydrophobicContact CZ-CE1 3.78Å; F513-Y557 AromaticContact CZ-CG 3.41Å; F513-Y557 HydrophobicContact CZ-CG 3.41Å; F513-Y557 VanDerWaalsContact CZ-CG 3.41Å; V553-Y557 VanDerWaalsContact O-CB 3.25Å; V553-Y557 WeakPolarHBondContact O-CB 3.3Å; V553-Y557 PolarHBondContact O-N 3.15Å; E554-Y557 PolarHBondContact O-N 3.3Å; Q555-Y557 PolarHBondContact O-N 3.01Å; Y557-E559 VanDerWaalsContact C-N 3.26Å; Y557-E559 PolarHBondContact O-N 3.17Å; Y557-L560 CarbonylContact O-C 3.55Å; Y557-L560 WeakPolarHBondContact O-CA 3.38Å; Y557-L560 WeakPolarHBondContact O-CB 3.37Å; Y557-L560 PolarHBondContact O-N 3.21Å; Y557-L561 HydrophobicContact CD1-CD1 4.03Å; Y557-L561 HydrophobicContact CD1-CG 4.38Å; Y557-L561 HydrophobicContact CE1-CD1 3.99Å; Y557-L561 HydrophobicContact CE1-CD2 4.31Å; Y557-L561 HydrophobicContact CE1-CG 4.24Å; Y557-L561 WeakPolarHBondContact O-CG 3.28Å; Y557-L561 PolarHBondContact O-N 2.84Å
558	M	67.6	Low	69.2	Low	111 Å²	111	93.8 Å²	93.8	55%	0.547	46%	0.46	S	S	.	.	H	α-helix	trans	-59.8	-37.7	171.9	-69.5	-64.3	-81.2	0	0	111.7	P512 E554 Q555 L561 A562	P512-M558 HydrophobicContact CG-SD 4.34Å; E554-M558 VanDerWaalsContact O-CG 3.29Å; E554-M558 WeakPolarHBondContact O-CG 3.41Å; E554-M558 PolarHBondContact O-N 2.79Å; Q555-M558 PolarHBondContact O-N 2.78Å; M558-L561 PolarHBondContact O-N 3.18Å; M558-L561 HydrophobicContact SD-CD1 3.93Å; M558-A562 WeakPolarHBondContact O-CB 3.47Å; M558-A562 PolarHBondContact O-N 2.75Å
559	E	75.9	Confident	71	Confident	108 Å²	108	93.6 Å²	93.6	51%	0.505	46%	0.457	S	S	.	.	H	α-helix	trans	-60.1	-44.1	170.3	-69.7	175.4	174.3	0	0	112	Q555 R556 Y557 A562 L563	Q555-E559 WeakPolarHBondContact O-CG 3.36Å; Q555-E559 PolarHBondContact O-N 3.23Å; R556-E559 WeakPolarHBondContact CD-OE2 3.47Å; R556-E559 IonicContact CZ-OE2 2.85Å; R556-E559 IonicContact NH1-OE2 2.83Å; R556-E559 PolarHBondContact NH1-OE2 2.85Å; R556-E559 WeakPolarHBondContact O-CB 3.19Å; Y557-E559 VanDerWaalsContact C-N 3.26Å; Y557-E559 PolarHBondContact O-N 3.17Å; E559-A562 PolarHBondContact O-N 3.42Å; E559-L563 WeakPolarHBondContact O-CB 3.41Å; E559-L563 PolarHBondContact O-N 3.28Å
560	L	74	Confident	72.9	Confident	82 Å²	82	94.2 Å²	94.2	43%	0.429	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-35.9	179.6	-72.2	170.2	0	0	0	112.7	R556 Y557 L563 R564	R556-L560 VanDerWaalsContact O-CG 3.29Å; R556-L560 WeakPolarHBondContact O-CG 3.49Å; R556-L560 PolarHBondContact O-N 3.14Å; R556-L560 VanDerWaalsContact O-N 3.13Å; Y557-L560 CarbonylContact O-C 3.55Å; Y557-L560 WeakPolarHBondContact O-CA 3.38Å; Y557-L560 WeakPolarHBondContact O-CB 3.37Å; Y557-L560 PolarHBondContact O-N 3.21Å; L560-L563 PolarHBondContact O-N 3.46Å; L560-R564 WeakPolarHBondContact O-CB 3.29Å; L560-R564 PolarHBondContact O-N 2.65Å
561	L	73	Confident	74.4	Confident	36 Å²	36	95.5 Å²	95.5	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-67.9	-46.7	174.4	-66.5	167.2	0	0	0	111.5	P512 Y557 M558 L563 R564 D565	P512-L561 HydrophobicContact CB-CD1 3.11Å; P512-L561 HydrophobicContact CB-CD2 4.28Å; P512-L561 HydrophobicContact CB-CG 4.23Å; P512-L561 HydrophobicContact CG-CD1 3.76Å; Y557-L561 HydrophobicContact CD1-CD1 4.03Å; Y557-L561 HydrophobicContact CD1-CG 4.38Å; Y557-L561 HydrophobicContact CE1-CD1 3.99Å; Y557-L561 HydrophobicContact CE1-CD2 4.31Å; Y557-L561 HydrophobicContact CE1-CG 4.24Å; Y557-L561 WeakPolarHBondContact O-CG 3.28Å; Y557-L561 PolarHBondContact O-N 2.84Å; M558-L561 PolarHBondContact O-N 3.18Å; M558-L561 HydrophobicContact SD-CD1 3.93Å; L561-L563 PolarHBondContact O-N 3.17Å; L561-R564 WeakPolarHBondContact O-CB 3.21Å; L561-R564 PolarHBondContact O-N 3.36Å; L561-D565 PolarHBondContact O-N 2.77Å
562	A	77.1	Confident	75.9	Confident	44 Å²	44	96.2 Å²	96.2	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-57.2	-41.2	175.7	0	0	0	0	0	110.8	M558 E559 D565 E566	M558-A562 WeakPolarHBondContact O-CB 3.47Å; M558-A562 PolarHBondContact O-N 2.75Å; E559-A562 PolarHBondContact O-N 3.42Å; A562-D565 PolarHBondContact O-N 2.98Å; A562-E566 WeakPolarHBondContact O-CB 3.45Å; A562-E566 PolarHBondContact O-N 2.99Å
563	L	78.6	Confident	77.4	Confident	71 Å²	71	96.7 Å²	96.7	37%	0.372	45%	0.45	S	S	.	.	H	α-helix	trans	-66.3	-41.3	175.7	-164.4	74.2	0	0	0	112.1	E559 L560 L561 E566 Y567	E559-L563 WeakPolarHBondContact O-CB 3.41Å; E559-L563 PolarHBondContact O-N 3.28Å; L560-L563 PolarHBondContact O-N 3.46Å; L561-L563 PolarHBondContact O-N 3.17Å; L563-E566 PolarHBondContact O-N 3.1Å; L563-Y567 HydrophobicContact CD1-CE2 4.11Å; L563-Y567 HydrophobicContact CD2-CE2 3.83Å; L563-Y567 HydrophobicContact CG-CD2 3.97Å; L563-Y567 HydrophobicContact CG-CE2 3.55Å; L563-Y567 WeakPolarHBondContact O-CD2 3.34Å; L563-Y567 PolarHBondContact O-N 2.91Å
564	R	79.6	Confident	78.8	Confident	146 Å²	146	97.6 Å²	97.6	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-59.8	-47.3	174.4	174.4	-177.3	175.1	-99.2	2.4	111.2	L560 L561 E566 Y567 I568	L560-R564 WeakPolarHBondContact O-CB 3.29Å; L560-R564 PolarHBondContact O-N 2.65Å; L561-R564 WeakPolarHBondContact O-CB 3.21Å; L561-R564 PolarHBondContact O-N 3.36Å; R564-E566 VanDerWaalsContact C-N 3.33Å; R564-Y567 PolarHBondContact O-N 3.06Å; R564-I568 HydrophobicContact CG-CD1 3.87Å; R564-I568 HydrophobicContact CG-CG1 4.44Å; R564-I568 WeakPolarHBondContact O-CG1 3.41Å; R564-I568 PolarHBondContact O-N 3.08Å
565	D	79.4	Confident	79.9	Confident	88 Å²	88	99.3 Å²	99.3	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-37.3	-178.6	-65.9	-16.1	0	0	0	111	L561 A562 I568 K569	L561-D565 PolarHBondContact O-N 2.77Å; A562-D565 PolarHBondContact O-N 2.98Å; D565-I568 PolarHBondContact O-N 3.37Å; D565-K569 WeakPolarHBondContact O-CB 3.49Å; D565-K569 PolarHBondContact O-N 3.24Å
566	E	88.2	Confident	80.8	Confident	104 Å²	104	102.2 Å²	102.2	49%	0.486	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-45.3	170.2	-173.1	-177.6	171.2	0	0	111.5	A562 L563 R564 K569 R570	A562-E566 WeakPolarHBondContact O-CB 3.45Å; A562-E566 PolarHBondContact O-N 2.99Å; L563-E566 PolarHBondContact O-N 3.1Å; R564-E566 VanDerWaalsContact C-N 3.33Å; E566-K569 PolarHBondContact O-N 3.41Å; E566-R570 WeakPolarHBondContact O-CB 3.28Å; E566-R570 PolarHBondContact O-N 3.21Å
567	Y	83.2	Confident	81.2	Confident	146 Å²	146	97.6 Å²	97.6	57%	0.573	47%	0.47	S	S	*	.	H	α-helix	trans	-65.7	-40.4	177	-79.8	-57.8	0	0	0	113	L563 R564 R570 L571	L563-Y567 HydrophobicContact CD1-CE2 4.11Å; L563-Y567 HydrophobicContact CD2-CE2 3.83Å; L563-Y567 HydrophobicContact CG-CD2 3.97Å; L563-Y567 HydrophobicContact CG-CE2 3.55Å; L563-Y567 WeakPolarHBondContact O-CD2 3.34Å; L563-Y567 PolarHBondContact O-N 2.91Å; R564-Y567 PolarHBondContact O-N 3.06Å; Y567-R570 PolarHBondContact O-N 2.74Å; Y567-L571 WeakPolarHBondContact O-CB 3.36Å; Y567-L571 PolarHBondContact O-N 2.78Å
568	I	83.7	Confident	81.4	Confident	61 Å²	61	99.6 Å²	99.6	31%	0.313	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-49.1	176.6	-71.3	170.2	0	0	0	109.8	R564 D565 R570 L571 E572	R564-I568 HydrophobicContact CG-CD1 3.87Å; R564-I568 HydrophobicContact CG-CG1 4.44Å; R564-I568 WeakPolarHBondContact O-CG1 3.41Å; R564-I568 PolarHBondContact O-N 3.08Å; D565-I568 PolarHBondContact O-N 3.37Å; I568-R570 VanDerWaalsContact C-N 3.28Å; I568-R570 PolarHBondContact O-N 3.28Å; I568-L571 WeakPolarHBondContact O-CB 3.42Å; I568-L571 PolarHBondContact O-N 2.9Å; I568-L571 VanDerWaalsContact O-N 3.08Å; I568-E572 WeakPolarHBondContact O-CG 3.42Å; I568-E572 PolarHBondContact O-N 2.82Å
569	K	88.9	Confident	81.3	Confident	129 Å²	129	97.7 Å²	97.7	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-58.3	-43.1	177.7	-173.8	-179.2	177.6	-174.8	0	111.6	D565 E566 L571 E572 E573	D565-K569 WeakPolarHBondContact O-CB 3.49Å; D565-K569 PolarHBondContact O-N 3.24Å; E566-K569 PolarHBondContact O-N 3.41Å; K569-L571 VanDerWaalsContact C-N 3.32Å; K569-L571 PolarHBondContact O-N 2.92Å; K569-E572 PolarHBondContact O-N 3.27Å; K569-E573 WeakPolarHBondContact CE-OE1 3.29Å; K569-E573 WeakPolarHBondContact O-CG 3.27Å; K569-E573 PolarHBondContact O-N 2.78Å
570	R	87.9	Confident	80.5	Confident	151 Å²	151	95.4 Å²	95.4	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-65.3	-35.7	177.3	-165.4	170	-173.4	170.3	1.1	112.4	E566 Y567 I568 L574	E566-R570 WeakPolarHBondContact O-CB 3.28Å; E566-R570 PolarHBondContact O-N 3.21Å; Y567-R570 PolarHBondContact O-N 2.74Å; I568-R570 VanDerWaalsContact C-N 3.28Å; I568-R570 PolarHBondContact O-N 3.28Å; R570-L574 WeakPolarHBondContact O-CB 3.47Å; R570-L574 VanDerWaalsContact O-CG 3.25Å; R570-L574 WeakPolarHBondContact O-CG 3.26Å; R570-L574 PolarHBondContact O-N 3.49Å
571	L	86.6	Confident	79.8	Confident	98 Å²	98	98.9 Å²	98.9	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-65	-44.3	174.3	-176.6	67.3	0	0	0	111.1	Y567 I568 K569 L574 Q575	Y567-L571 WeakPolarHBondContact O-CB 3.36Å; Y567-L571 PolarHBondContact O-N 2.78Å; I568-L571 WeakPolarHBondContact O-CB 3.42Å; I568-L571 PolarHBondContact O-N 2.9Å; I568-L571 VanDerWaalsContact O-N 3.08Å; K569-L571 VanDerWaalsContact C-N 3.32Å; K569-L571 PolarHBondContact O-N 2.92Å; L571-L574 PolarHBondContact O-N 3.39Å; L571-Q575 VanDerWaalsContact O-CG 3.32Å; L571-Q575 WeakPolarHBondContact O-CG 3.26Å; L571-Q575 PolarHBondContact O-N 3.15Å
572	E	89.5	Confident	79	Confident	106 Å²	106	104.3 Å²	104.3	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-45.9	176.4	-70.2	173.8	173.7	0	0	111.6	I568 K569 L574 Q575 L576	I568-E572 WeakPolarHBondContact O-CG 3.42Å; I568-E572 PolarHBondContact O-N 2.82Å; K569-E572 PolarHBondContact O-N 3.27Å; E572-L574 VanDerWaalsContact C-N 3.32Å; E572-L574 PolarHBondContact O-N 3.28Å; E572-Q575 PolarHBondContact O-N 3.36Å; E572-L576 WeakPolarHBondContact O-CB 3.49Å; E572-L576 PolarHBondContact O-N 3.47Å
573	E	90.2	Very high	77.8	Confident	107 Å²	107	106.6 Å²	106.6	50%	0.5	54%	0.535	S	S	.	.	H	α-helix	trans	-58.7	-42.3	175.3	-74.1	173.2	-175.2	0	0	111.9	K569 L576 A577	K569-E573 WeakPolarHBondContact CE-OE1 3.29Å; K569-E573 WeakPolarHBondContact O-CG 3.27Å; K569-E573 PolarHBondContact O-N 2.78Å; E573-L576 PolarHBondContact O-N 3.1Å; E573-A577 WeakPolarHBondContact O-CB 3.35Å; E573-A577 PolarHBondContact O-N 2.93Å
574	L	88.3	Confident	76.6	Confident	109 Å²	109	109.2 Å²	109.2	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-38.2	176.8	-74.5	170.2	0	0	0	112.4	R570 L571 E572 A577 N578	R570-L574 WeakPolarHBondContact O-CB 3.47Å; R570-L574 VanDerWaalsContact O-CG 3.25Å; R570-L574 WeakPolarHBondContact O-CG 3.26Å; R570-L574 PolarHBondContact O-N 3.49Å; L571-L574 PolarHBondContact O-N 3.39Å; E572-L574 VanDerWaalsContact C-N 3.32Å; E572-L574 PolarHBondContact O-N 3.28Å; L574-A577 PolarHBondContact O-N 3.34Å; L574-N578 WeakPolarHBondContact O-CB 3.46Å; L574-N578 PolarHBondContact O-N 3.06Å
575	Q	85.1	Confident	74.9	Confident	117 Å²	117	107.6 Å²	107.6	55%	0.547	56%	0.558	S	S	.	*	H	α-helix	trans	-67.3	-39.9	176.4	-74.6	175.6	-9.9	0	0	111.9	L571 E572 N578 S579	L571-Q575 VanDerWaalsContact O-CG 3.32Å; L571-Q575 WeakPolarHBondContact O-CG 3.26Å; L571-Q575 PolarHBondContact O-N 3.15Å; E572-Q575 PolarHBondContact O-N 3.36Å; Q575-N578 PolarHBondContact O-N 3.38Å; Q575-S579 PolarHBondContact O-N 3.22Å; Q575-S579 PolarHBondContact O-OG 2.95Å
576	L	82.4	Confident	73.3	Confident	123 Å²	123	109.5 Å²	109.5	64%	0.644	58%	0.575	S	S	*	*	H	α-helix	trans	-63.6	-42.7	172.1	-86.1	151.4	0	0	0	111.9	E572 E573 N578 S579 A580	E572-L576 WeakPolarHBondContact O-CB 3.49Å; E572-L576 PolarHBondContact O-N 3.47Å; E573-L576 PolarHBondContact O-N 3.1Å; L576-N578 VanDerWaalsContact C-N 3.35Å; L576-N578 PolarHBondContact O-N 2.96Å; L576-S579 WeakPolarHBondContact CA-OG 3.32Å; L576-S579 PolarHBondContact O-N 3.32Å; L576-S579 PolarHBondContact O-OG 3.47Å; L576-A580 PolarHBondContact O-N 3.17Å; L576-A580 VanDerWaalsContact O-N 3.11Å
577	A	77.6	Confident	70.9	Confident	52 Å²	52	111.6 Å²	111.6	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-66.8	-34.3	176.5	0	0	0	0	0	112.9	E573 L574 K581	E573-A577 WeakPolarHBondContact O-CB 3.35Å; E573-A577 PolarHBondContact O-N 2.93Å; L574-A577 PolarHBondContact O-N 3.34Å; A577-K581 WeakPolarHBondContact O-CG 3.38Å; A577-K581 PolarHBondContact O-N 3.36Å
578	N	72.3	Confident	68.9	Low	103 Å²	103	109.7 Å²	109.7	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-74.3	-37.3	177.2	-116.3	8.7	0	0	0	112.5	L574 Q575 L576 A580 K581 L582	L574-N578 WeakPolarHBondContact O-CB 3.46Å; L574-N578 PolarHBondContact O-N 3.06Å; Q575-N578 PolarHBondContact O-N 3.38Å; L576-N578 VanDerWaalsContact C-N 3.35Å; L576-N578 PolarHBondContact O-N 2.96Å; N578-A580 VanDerWaalsContact C-N 3.33Å; N578-K581 PolarHBondContact O-N 3.35Å; N578-L582 PolarHBondContact O-N 3.25Å
579	S	65.3	Low	67.5	Low	70 Å²	70	112.3 Å²	112.3	49%	0.49	62%	0.624	S	S	.	*	H	α-helix	trans	-67.4	-34.2	175.5	41.8	0	0	0	0	112.1	Q575 L576 K581 L582	Q575-S579 PolarHBondContact O-N 3.22Å; Q575-S579 PolarHBondContact O-OG 2.95Å; L576-S579 WeakPolarHBondContact CA-OG 3.32Å; L576-S579 PolarHBondContact O-N 3.32Å; L576-S579 PolarHBondContact O-OG 3.47Å; S579-K581 VanDerWaalsContact C-N 3.33Å; S579-K581 PolarHBondContact O-N 3.17Å; S579-L582 PolarHBondContact O-N 3.17Å
580	A	59.8	Low	64.9	Low	60 Å²	60	111.9 Å²	111.9	50%	0.496	64%	0.637	S	S	.	*	H	α-helix	trans	-69.2	-25	171.5	0	0	0	0	0	114.1	L576 N578 S583	L576-A580 PolarHBondContact O-N 3.17Å; L576-A580 VanDerWaalsContact O-N 3.11Å; N578-A580 VanDerWaalsContact C-N 3.33Å; A580-S583 PolarHBondContact O-OG 3.26Å
581	K	59.5	Low	62.5	Low	156 Å²	156	110 Å²	110	68%	0.678	65%	0.647	S	S	*	*	H	α-helix	trans	-82.2	-21.3	175.6	-78.9	-179.1	177.6	-178.8	0	113.9	A577 N578 S579 S583	A577-K581 WeakPolarHBondContact O-CG 3.38Å; A577-K581 PolarHBondContact O-N 3.36Å; N578-K581 PolarHBondContact O-N 3.35Å; S579-K581 VanDerWaalsContact C-N 3.33Å; S579-K581 PolarHBondContact O-N 3.17Å; K581-S583 VanDerWaalsContact C-N 3.33Å
582	L	56.3	Low	60.4	Low	150 Å²	150	111.2 Å²	111.2	79%	0.785	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-6.8	177.9	-84.5	152.8	0	0	0	113.3	N578 S579	N578-L582 PolarHBondContact O-N 3.25Å; S579-L582 PolarHBondContact O-N 3.17Å
583	S	51.7	Low	58	Low	91 Å²	91	111.7 Å²	111.7	64%	0.636	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-3.1	175.6	47.4	0	0	0	0	114.9	A580 K581	A580-S583 PolarHBondContact O-OG 3.26Å; K581-S583 VanDerWaalsContact C-N 3.33Å
584	D	52.4	Low	55.6	Low	127 Å²	127	116.3 Å²	116.3	68%	0.679	70%	0.697	S	S	*	*	S	Bend	trans	-91.9	134.6	173.4	-77.1	-26.9	0	0	0	110.9
585	P	44.4	Very low	53	Low	112 Å²	112	119.8 Å²	119.8	73%	0.727	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-74.4	150.7	-173.4	30.5	-33.1	0	0	0	111.8	T587	P585-T587 PolarHBondContact O-N 3.24Å
586	P	45.4	Very low	50.9	Low	127 Å²	127	122.4 Å²	122.4	83%	0.825	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-80.8	124.1	-171.3	31.2	-31.7	0	0	0	111.5
587	T	39.3	Very low	48.8	Very low	148 Å²	148	122.3 Å²	122.3	91%	0.908	73%	0.734	S	S	*	*			trans	-102	113.7	158.7	50.6	0	0	0	0	109.5	P585	P585-T587 PolarHBondContact O-N 3.24Å
588	S	39.9	Very low	46.9	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	75%	0.752	S	S	*	*			trans	-103.8	172.4	169.5	56.5	0	0	0	0	110.4
589	P	55.6	Low	45.1	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	76%	0.763	S	S	*	*			cis	-138.3	172.8	-32.4	31.1	-11.7	0	0	0	113.1
590	S	33.3	Very low	43.6	Very low	119 Å²	119	133.2 Å²	133.2	83%	0.832	77%	0.773	S	S	*	*			trans	-168.3	119.8	135.6	56.6	0	0	0	0	111.8
591	S	38.6	Very low	42.5	Very low	112 Å²	112	137 Å²	137	78%	0.783	79%	0.79	S	S	*	*			trans	-74.1	163	169.4	-45.8	0	0	0	0	111.3
592	P	42.5	Very low	41.7	Very low	123 Å²	123	137.1 Å²	137.1	80%	0.799	79%	0.793	S	S	*	*				-142.6	147.5	89.9	32.7	-14.6	0	0	0	116
593	S	39.1	Very low	41	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	81%	0.814	S	S	*	*			trans	0.8	121.3	154.4	-47.2	0	0	0	0	119.4
594	Q	38.1	Very low	40.4	Very low	204 Å²	204	145.9 Å²	145.9	95%	0.953	82%	0.823	S	S	*	*			trans	-149.7	135.8	142	-111.5	173.1	5.7	0	0	111.6
595	M	35.3	Very low	39.8	Very low	183 Å²	183	146.9 Å²	146.9	90%	0.901	83%	0.83	S	S	*	*			trans	-68.7	143.6	-168.3	-65.8	173.9	66	0	0	113.3
596	M	39.4	Very low	39.5	Very low	171 Å²	171	148.8 Å²	148.8	84%	0.842	84%	0.836	S	S	*	*			trans	-68.5	152.3	164.5	-70.6	-163.3	-174.7	0	0	111.8
597	P	38.2	Very low	39.2	Very low	121 Å²	121	150.1 Å²	150.1	79%	0.786	84%	0.837	S	S	*	*			trans	-117.4	128.2	136.4	24	-9.2	0	0	0	111.6
598	H	38.7	Very low	39.2	Very low	175 Å²	175	150.3 Å²	150.3	81%	0.81	83%	0.832	S	S	*	*			trans	-62.3	131.1	164.7	-105.6	-71.8	0	0	0	111.4
599	V	34.9	Very low	39.1	Very low	127 Å²	127	153.2 Å²	153.2	77%	0.77	84%	0.838	S	S	*	*			trans	-149.2	97.9	148.4	-174	0	0	0	0	107.5
600	Q	33.1	Very low	38	Very low	152 Å²	152	155.8 Å²	155.8	71%	0.71	84%	0.844	S	S	*	*				72.2	98	98	-117.6	175.4	2.5	0	0	114.1
601	T	37.2	Very low	38.3	Very low	139 Å²	139	158.6 Å²	158.6	85%	0.853	85%	0.845	S	S	*	*			trans	-70.5	131.2	159.9	42.3	0	0	0	0	110
602	H	41.3	Very low	38.3	Very low	160 Å²	160	162.5 Å²	162.5	74%	0.741	85%	0.85	S	S	*	*			trans	-107.4	137.5	157.1	-86	-72.5	0	0	0	108.8
603	F	41.9	Very low	37.9	Very low	279 Å²	279	166.1 Å²	166.1	100%	1.224	86%	0.855	S	S	*	*			trans	-18.4	0	174.9	-75.5	-90.4	0	0	0	118.5

Retrieved 603 of 603 residues in 470.9 ms (Link to these results)

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