G4LXP9_SCHMA Loading...

Nalp (Nacht, leucine rich repeat and pyrin domain containing)-related

AlphaFold DB , UniProt , Accession G4LXP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	38.6	Very low	236 Å²	236	132 Å²	132	100%	1.163	72%	0.715	S	S	*	*				0	128	0	-74.5	176.8	172.9	0	0	106.1
2	D	34.7	Very low	38.4	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	71%	0.705	S	S	*	*			trans	64.1	96.6	168.8	-51.9	-21.9	0	0	0	119.1
3	N	38.6	Very low	38.3	Very low	166 Å²	166	132.8 Å²	132.8	89%	0.888	70%	0.703	S	S	*	*			trans	-173.1	49.8	146.3	-103.4	-5.8	0	0	0	113.9
4	N	40.5	Very low	38.1	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	70%	0.7	S	S	*	*			trans	-130.7	18	179.1	-96.3	-6	0	0	0	115.7
5	N	41.3	Very low	37.9	Very low	147 Å²	147	134 Å²	134	79%	0.786	70%	0.695	S	S	*	*			trans	-103.1	6	-172.9	-80.6	-6.2	0	0	0	117
6	N	41.1	Very low	37.7	Very low	135 Å²	135	133 Å²	133	72%	0.722	69%	0.69	S	S	*	*	S	Bend	trans	-99.7	-8.6	-178.3	-92.5	5.4	0	0	0	116.2	S9	N6-S9 PolarHBondContact O-OG 3.19Å
7	I	39.1	Very low	37.6	Very low	114 Å²	114	133.2 Å²	133.2	59%	0.585	69%	0.69	S	S	*	*	H	α-helix	trans	-91.7	-21.7	-177	-58.5	172.6	0	0	0	111.4	I11	I7-I11 HydrophobicContact CG2-CD1 3.98Å; I7-I11 WeakPolarHBondContact O-CD1 3.17Å; I7-I11 WeakPolarHBondContact O-CG1 3.13Å
8	A	38.8	Very low	37.4	Very low	74 Å²	74	132.3 Å²	132.3	61%	0.612	69%	0.691	S	S	*	*	H	α-helix	trans	-77.8	-22	-178.5	0	0	0	0	0	113.9
9	S	38.8	Very low	37.2	Very low	68 Å²	68	134.1 Å²	134.1	48%	0.476	70%	0.696	S	S	.	*	H	α-helix	trans	-81.7	-33.4	176.3	52.4	0	0	0	0	113.1	N6 H12 Q13	N6-S9 PolarHBondContact O-OG 3.19Å; S9-H12 PolarHBondContact O-N 3.07Å; S9-Q13 PolarHBondContact O-N 3.26Å
10	E	37.8	Very low	37.1	Very low	127 Å²	127	133 Å²	133	59%	0.593	69%	0.691	S	S	*	*	H	α-helix	trans	-69.5	-38.9	176.6	-75.6	178.1	158.8	0	0	111.6	H12 Q13 E14	E10-H12 PolarHBondContact O-N 3.37Å; E10-Q13 PolarHBondContact O-N 3.02Å; E10-E14 PolarHBondContact O-N 3.14Å
11	I	39	Very low	37	Very low	85 Å²	85	135.5 Å²	135.5	44%	0.436	70%	0.699	S	S	.	*	H	α-helix	trans	-68.6	-25	176.6	-62.4	169.7	0	0	0	111.7	I7 K15	I7-I11 HydrophobicContact CG2-CD1 3.98Å; I7-I11 WeakPolarHBondContact O-CD1 3.17Å; I7-I11 WeakPolarHBondContact O-CG1 3.13Å; I11-K15 WeakPolarHBondContact O-CB 3.47Å; I11-K15 PolarHBondContact O-N 3.2Å
12	H	37.1	Very low	37.2	Very low	130 Å²	130	129.9 Å²	129.9	60%	0.602	67%	0.669	S	S	*	*	H	α-helix	trans	-81.2	-30.1	176.2	-123.7	-28.9	0	0	0	112.9	S9 E10 L16	S9-H12 PolarHBondContact O-N 3.07Å; E10-H12 PolarHBondContact O-N 3.37Å; H12-L16 WeakPolarHBondContact O-CD1 3.27Å; H12-L16 PolarHBondContact O-N 2.79Å
13	Q	36.9	Very low	37.3	Very low	145 Å²	145	127.4 Å²	127.4	68%	0.678	66%	0.655	S	S	*	*	H	α-helix	trans	-72.2	-40.1	170	-82.3	-174.8	-28.4	0	0	111.9	S9 E10 K15 L16 I17	S9-Q13 PolarHBondContact O-N 3.26Å; E10-Q13 PolarHBondContact O-N 3.02Å; Q13-K15 VanDerWaalsContact C-N 3.31Å; Q13-K15 PolarHBondContact O-N 2.96Å; Q13-L16 PolarHBondContact O-N 3.29Å; Q13-I17 WeakPolarHBondContact O-CG1 3.05Å; Q13-I17 PolarHBondContact O-N 3.33Å
14	E	35.5	Very low	37.6	Very low	140 Å²	140	124 Å²	124	65%	0.654	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-29.9	174.4	-78.9	-173.5	151.6	0	0	113.2	E10	E10-E14 PolarHBondContact O-N 3.14Å
15	K	35.6	Very low	37.6	Very low	143 Å²	143	119.7 Å²	119.7	62%	0.622	62%	0.622	S	S	*	*	H	α-helix	trans	-79	-21.8	175	-85.4	-178.3	174.2	178.2	0	114.6	I11 Q13	I11-K15 WeakPolarHBondContact O-CB 3.47Å; I11-K15 PolarHBondContact O-N 3.2Å; Q13-K15 VanDerWaalsContact C-N 3.31Å; Q13-K15 PolarHBondContact O-N 2.96Å
16	L	33.7	Very low	38	Very low	118 Å²	118	114.1 Å²	114.1	62%	0.618	59%	0.59	S	S	*	*	H	α-helix	trans	-77.5	-23.2	174	-109.1	121	0	0	0	112.5	H12 Q13 V18 Q19	H12-L16 WeakPolarHBondContact O-CD1 3.27Å; H12-L16 PolarHBondContact O-N 2.79Å; Q13-L16 PolarHBondContact O-N 3.29Å; L16-V18 PolarHBondContact O-N 3.08Å; L16-Q19 PolarHBondContact O-N 3.25Å
17	I	35.7	Very low	38.2	Very low	136 Å²	136	111.6 Å²	111.6	70%	0.697	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-16.1	175.8	-66.3	167.8	0	0	0	112	Q13	Q13-I17 WeakPolarHBondContact O-CG1 3.05Å; Q13-I17 PolarHBondContact O-N 3.33Å
18	V	34.9	Very low	38.6	Very low	117 Å²	117	108 Å²	108	71%	0.709	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-3.6	-176.3	-175.5	0	0	0	0	113.1	L16	L16-V18 PolarHBondContact O-N 3.08Å
19	Q	34	Very low	38.7	Very low	167 Å²	167	108.2 Å²	108.2	78%	0.78	55%	0.549	S	S	*	.	S	Bend	trans	-114.4	4.6	-173.9	-77.3	-172.6	-22.8	0	0	116.4	L16	L16-Q19 PolarHBondContact O-N 3.25Å
20	N	34.7	Very low	38.9	Very low	112 Å²	112	110.7 Å²	110.7	60%	0.599	56%	0.557	S	S	*	*			trans	-121.1	90.8	171.7	-92.6	-26.3	0	0	0	110.7	F22 L23	N20-F22 PolarHBondContact O-N 3.13Å; N20-L23 HydrophobicContact CB-CD1 3.93Å
21	E	34.5	Very low	39.2	Very low	185 Å²	185	111.2 Å²	111.2	86%	0.864	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	16	178.7	-72.3	-177.7	146.8	0	0	114.6
22	F	39.4	Very low	39.4	Very low	118 Å²	118	112.1 Å²	112.1	52%	0.518	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.4	19.9	-177.2	-71.1	-80.9	0	0	0	114.4	N20 Y24	N20-F22 PolarHBondContact O-N 3.13Å; F22-Y24 PolarHBondContact O-N 2.97Å
23	L	37	Very low	39.9	Very low	97 Å²	97	109.9 Å²	109.9	51%	0.508	56%	0.56	S	S	.	*			trans	-80.4	99.6	172	-110	75.1	0	0	0	110.3	N20 G25 L33	N20-L23 HydrophobicContact CB-CD1 3.93Å; L23-G25 PolarHBondContact O-N 3.3Å; L23-L33 HydrophobicContact CB-CD2 4.4Å; L23-L33 HydrophobicContact CD2-CB 4.18Å; L23-L33 HydrophobicContact CD2-CD1 3.68Å; L23-L33 HydrophobicContact CD2-CD2 3.76Å; L23-L33 HydrophobicContact CD2-CG 4.06Å; L23-L33 HydrophobicContact CG-CD2 4.11Å
24	Y	43.7	Very low	40.6	Very low	94 Å²	94	103.7 Å²	103.7	37%	0.369	53%	0.532	S	S	.	.			trans	-67.6	121.7	163.4	-60.3	-84.6	0	0	0	106.8	F22 W26 L33 I39 A218	F22-Y24 PolarHBondContact O-N 2.97Å; Y24-W26 PolarHBondContact O-N 3.35Å; Y24-L33 WeakPolarHBondContact O-CD2 3.41Å; Y24-I39 HydrophobicContact CD2-CD1 3.34Å; Y24-I39 HydrophobicContact CE2-CD1 4.16Å; Y24-I39 HydrophobicContact CG-CD1 3.71Å; Y24-A218 HydrophobicContact CD1-CB 3.88Å; Y24-A218 HydrophobicContact CE1-CB 3.99Å
25	G	41.6	Very low	41.3	Very low	62 Å²	62	100.3 Å²	100.3	64%	0.639	52%	0.521	S	S	*	.			trans	-64.3	27.1	-175	0	0	0	0	0	115.9	L23	L23-G25 PolarHBondContact O-N 3.3Å
26	W	49.1	Very low	42	Very low	29 Å²	29	98.8 Å²	98.8	11%	0.11	52%	0.516	C	S	.	.			trans	-85.6	146.6	179.8	-61	-11.5	0	0	0	109.7	Y24 L33 L34 I39 L214 C217 A218	Y24-W26 PolarHBondContact O-N 3.35Å; W26-L33 CarbonylContact O-C 3.57Å; W26-L33 WeakPolarHBondContact O-CA 3.46Å; W26-L34 HydrophobicContact CB-CB 4.02Å; W26-L34 HydrophobicContact CB-CD1 3.53Å; W26-L34 HydrophobicContact CB-CG 3.88Å; W26-L34 HydrophobicContact CD2-CD1 4.47Å; W26-L34 HydrophobicContact CE3-CD1 3.94Å; W26-L34 HydrophobicContact CG-CD1 4.41Å; W26-L34 PolarHBondContact O-N 2.97Å; W26-I39 HydrophobicContact CE3-CD1 3.79Å; W26-I39 HydrophobicContact CE3-CG1 3.86Å; W26-I39 HydrophobicContact CZ3-CD1 4.03Å; W26-I39 HydrophobicContact CZ3-CG1 3.97Å; W26-L214 HydrophobicContact CH2-CB 4.35Å; W26-L214 WeakPolarHBondContact CH2-O 3.42Å; W26-C217 HydrophobicContact CZ2-CB 4.39Å; W26-A218 HydrophobicContact CH2-CB 3.75Å; W26-A218 HydrophobicContact CZ2-CB 3.49Å; W26-A218 VanDerWaalsContact CZ2-CB 3.49Å
27	I	45.9	Very low	42.9	Very low	83 Å²	83	98.1 Å²	98.1	43%	0.426	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-128.6	137.1	-168.7	-70.8	176	0	0	0	109.4	N31 L32	I27-N31 HydrophobicContact CG2-CB 4.31Å; I27-L32 CarbonylContact C-O 3.29Å; I27-L32 WeakPolarHBondContact CA-O 3.38Å
28	D	47.3	Very low	43.8	Very low	38 Å²	38	94.8 Å²	94.8	20%	0.203	49%	0.494	C	S	.	.			trans	-81.3	-178.6	174	82.7	-15.4	0	0	0	112.9	N30 N31 L32 L34	D28-N30 PolarHBondContact O-N 3.05Å; D28-N30 WeakPolarHBondContact OD1-CA 3.26Å; D28-N30 WeakPolarHBondContact OD1-CB 3.14Å; D28-N30 PolarHBondContact OD1-N 2.94Å; D28-N30 PolarHBondContact OD2-ND2 3.01Å; D28-N31 PolarHBondContact O-N 2.71Å; D28-N31 PolarHBondContact OD1-N 2.85Å; D28-L32 PolarHBondContact N-O 3.1Å; D28-L32 WeakPolarHBondContact OD1-CA 3.49Å; D28-L32 WeakPolarHBondContact OD1-CB 3.49Å; D28-L32 PolarHBondContact OD1-N 3.46Å; D28-L34 HydrophobicContact CB-CD2 4.06Å
29	D	39.6	Very low	44.6	Very low	79 Å²	79	89.9 Å²	89.9	42%	0.422	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-20.4	175.5	-87.6	19.2	0	0	0	115.3	G52 L53 N54	D29-G52 WeakPolarHBondContact CB-O 3.34Å; D29-G52 PolarHBondContact N-O 3.04Å; D29-G52 WeakPolarHBondContact OD1-CA 3.27Å; D29-G52 VanDerWaalsContact OD2-C 3.31Å; D29-G52 WeakPolarHBondContact OD2-CA 3.35Å; D29-L53 VanDerWaalsContact OD1-C 3.23Å; D29-L53 WeakPolarHBondContact OD1-CA 3.41Å; D29-L53 PolarHBondContact OD1-N 3.37Å; D29-N54 WeakPolarHBondContact OD1-CA 3.3Å; D29-N54 WeakPolarHBondContact OD1-CB 3.39Å; D29-N54 PolarHBondContact OD1-N 3.49Å
30	N	44.1	Very low	45.5	Very low	120 Å²	120	86.6 Å²	86.6	64%	0.642	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	13.8	-174	-56.7	-61.8	0	0	0	113.1	D28 L32	D28-N30 PolarHBondContact O-N 3.05Å; D28-N30 WeakPolarHBondContact OD1-CA 3.26Å; D28-N30 WeakPolarHBondContact OD1-CB 3.14Å; D28-N30 PolarHBondContact OD1-N 2.94Å; D28-N30 PolarHBondContact OD2-ND2 3.01Å; N30-L32 HydrophobicContact CB-CD1 4.05Å; N30-L32 HydrophobicContact CB-CG 4.22Å; N30-L32 PolarHBondContact O-N 3.1Å
31	N	43.5	Very low	46.3	Very low	137 Å²	137	83.3 Å²	83.3	73%	0.733	43%	0.428	S	S	*	.	S	Bend	trans	63.6	23.5	-172.9	-84	-9.7	0	0	0	114.5	I27 D28	I27-N31 HydrophobicContact CG2-CB 4.31Å; D28-N31 PolarHBondContact O-N 2.71Å; D28-N31 PolarHBondContact OD1-N 2.85Å
32	L	44.5	Very low	47.1	Very low	105 Å²	105	75.6 Å²	75.6	55%	0.55	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-95.9	139.3	177.2	-63.5	166.5	0	0	0	111.2	I27 D28 N30 L34	I27-L32 CarbonylContact C-O 3.29Å; I27-L32 WeakPolarHBondContact CA-O 3.38Å; D28-L32 PolarHBondContact N-O 3.1Å; D28-L32 WeakPolarHBondContact OD1-CA 3.49Å; D28-L32 WeakPolarHBondContact OD1-CB 3.49Å; D28-L32 PolarHBondContact OD1-N 3.46Å; N30-L32 HydrophobicContact CB-CD1 4.05Å; N30-L32 HydrophobicContact CB-CG 4.22Å; N30-L32 PolarHBondContact O-N 3.1Å; L32-L34 PolarHBondContact O-N 3.33Å
33	L	47.2	Very low	47.3	Very low	82 Å²	82	72 Å²	72	43%	0.429	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-63.4	128.7	176	-86.4	129.2	0	0	0	111.3	L23 Y24 W26 T35	L23-L33 HydrophobicContact CB-CD2 4.4Å; L23-L33 HydrophobicContact CD2-CB 4.18Å; L23-L33 HydrophobicContact CD2-CD1 3.68Å; L23-L33 HydrophobicContact CD2-CD2 3.76Å; L23-L33 HydrophobicContact CD2-CG 4.06Å; L23-L33 HydrophobicContact CG-CD2 4.11Å; Y24-L33 WeakPolarHBondContact O-CD2 3.41Å; W26-L33 CarbonylContact O-C 3.57Å; W26-L33 WeakPolarHBondContact O-CA 3.46Å; L33-T35 PolarHBondContact O-N 3.45Å
34	L	50.3	Low	47.6	Very low	15 Å²	15	73 Å²	73	8%	0.079	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-63.2	121.7	172	-63.9	-178.9	0	0	0	109	W26 D28 L32 D38 I39 M42 L53	W26-L34 HydrophobicContact CB-CB 4.02Å; W26-L34 HydrophobicContact CB-CD1 3.53Å; W26-L34 HydrophobicContact CB-CG 3.88Å; W26-L34 HydrophobicContact CD2-CD1 4.47Å; W26-L34 HydrophobicContact CE3-CD1 3.94Å; W26-L34 HydrophobicContact CG-CD1 4.41Å; W26-L34 PolarHBondContact O-N 2.97Å; D28-L34 HydrophobicContact CB-CD2 4.06Å; L32-L34 PolarHBondContact O-N 3.33Å; L34-D38 HydrophobicContact CB-CB 4.22Å; L34-D38 HydrophobicContact CD2-CB 4Å; L34-I39 HydrophobicContact CB-CG1 4.24Å; L34-M42 HydrophobicContact CD1-SD 4.01Å; L34-L53 HydrophobicContact CD1-CD2 4.34Å
35	T	51.9	Low	47.7	Very low	70 Å²	70	74.9 Å²	74.9	43%	0.429	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-75.2	164.7	175	66.8	0	0	0	0	111	L33 E37 D38 I39	L33-T35 PolarHBondContact O-N 3.45Å; T35-E37 PolarHBondContact O-N 3.41Å; T35-E37 PolarHBondContact OG1-N 2.91Å; T35-D38 WeakPolarHBondContact CB-OD2 3.16Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.43Å; T35-D38 PolarHBondContact N-OD2 2.74Å; T35-D38 PolarHBondContact O-N 3.28Å; T35-D38 VanDerWaalsContact O-N 3.13Å; T35-D38 PolarHBondContact OG1-N 2.69Å; T35-D38 VanDerWaalsContact OG1-N 3.08Å; T35-D38 PolarHBondContact OG1-OD2 3.26Å; T35-I39 WeakPolarHBondContact O-CG1 3.35Å; T35-I39 PolarHBondContact O-N 3.12Å
36	E	49.2	Very low	47.8	Very low	111 Å²	111	73.7 Å²	73.7	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-55.7	-33.3	170.6	-173.2	-178.8	174.5	0	0	111.5	R40	E36-R40 WeakPolarHBondContact O-CB 3.17Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.07Å
37	E	52.8	Low	47.4	Very low	103 Å²	103	75.8 Å²	75.8	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-73.5	-38.9	177	-160.8	65.3	-173	0	0	111.5	T35 I39 R40 T41	T35-E37 PolarHBondContact O-N 3.41Å; T35-E37 PolarHBondContact OG1-N 2.91Å; E37-I39 VanDerWaalsContact C-N 3.28Å; E37-I39 PolarHBondContact O-N 2.88Å; E37-R40 CarbonylContact O-C 3.51Å; E37-R40 WeakPolarHBondContact O-CA 3.4Å; E37-R40 WeakPolarHBondContact O-CB 3.49Å; E37-R40 PolarHBondContact O-N 3.17Å; E37-R40 VanDerWaalsContact O-N 3.1Å; E37-R40 IonicContact OE1-NH1 3.51Å; E37-R40 PolarHBondContact OE1-NH1 2.96Å; E37-R40 IonicContact OE2-CZ 3.24Å; E37-R40 IonicContact OE2-NH1 3.67Å; E37-R40 PolarHBondContact OE2-NH1 3.2Å; E37-T41 WeakPolarHBondContact O-CB 3.22Å; E37-T41 PolarHBondContact O-N 3.01Å; E37-T41 PolarHBondContact O-OG1 3.27Å
38	D	54.1	Low	47.3	Very low	67 Å²	67	80.9 Å²	80.9	36%	0.358	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-41.9	174.2	-60.3	-47.6	0	0	0	111.1	L34 T35 T41 M42	L34-D38 HydrophobicContact CB-CB 4.22Å; L34-D38 HydrophobicContact CD2-CB 4Å; T35-D38 WeakPolarHBondContact CB-OD2 3.16Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.43Å; T35-D38 PolarHBondContact N-OD2 2.74Å; T35-D38 PolarHBondContact O-N 3.28Å; T35-D38 VanDerWaalsContact O-N 3.13Å; T35-D38 PolarHBondContact OG1-N 2.69Å; T35-D38 VanDerWaalsContact OG1-N 3.08Å; T35-D38 PolarHBondContact OG1-OD2 3.26Å; D38-T41 PolarHBondContact O-N 3.23Å; D38-M42 WeakPolarHBondContact O-CB 3.44Å; D38-M42 VanDerWaalsContact O-CG 3.25Å; D38-M42 WeakPolarHBondContact O-CG 3.33Å; D38-M42 PolarHBondContact O-N 3.21Å
39	I	52.2	Low	46.9	Very low	13 Å²	13	85.3 Å²	85.3	7%	0.067	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-43.6	174.2	-69.3	172.9	0	0	0	110.1	Y24 W26 L34 T35 E37 M42 F43	Y24-I39 HydrophobicContact CD2-CD1 3.34Å; Y24-I39 HydrophobicContact CE2-CD1 4.16Å; Y24-I39 HydrophobicContact CG-CD1 3.71Å; W26-I39 HydrophobicContact CE3-CD1 3.79Å; W26-I39 HydrophobicContact CE3-CG1 3.86Å; W26-I39 HydrophobicContact CZ3-CD1 4.03Å; W26-I39 HydrophobicContact CZ3-CG1 3.97Å; L34-I39 HydrophobicContact CB-CG1 4.24Å; T35-I39 WeakPolarHBondContact O-CG1 3.35Å; T35-I39 PolarHBondContact O-N 3.12Å; E37-I39 VanDerWaalsContact C-N 3.28Å; E37-I39 PolarHBondContact O-N 2.88Å; I39-M42 WeakPolarHBondContact O-CB 3.49Å; I39-M42 PolarHBondContact O-N 3.44Å; I39-F43 HydrophobicContact CB-CE2 4.49Å; I39-F43 HydrophobicContact CG2-CD2 3.52Å; I39-F43 HydrophobicContact CG2-CE2 3.11Å; I39-F43 HydrophobicContact CG2-CZ 4.16Å; I39-F43 WeakPolarHBondContact O-CB 3.43Å; I39-F43 WeakPolarHBondContact O-CD2 3.43Å; I39-F43 WeakPolarHBondContact O-CG 3.2Å; I39-F43 PolarHBondContact O-N 3.14Å
40	R	52.2	Low	47	Very low	99 Å²	99	84.6 Å²	84.6	37%	0.374	43%	0.431	S	S	.	.	H	α-helix	trans	-62.5	-39.9	173.8	-79.7	177.4	85.3	-131.1	2.3	112.5	E36 E37 F43 L44	E36-R40 WeakPolarHBondContact O-CB 3.17Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.07Å; E37-R40 CarbonylContact O-C 3.51Å; E37-R40 WeakPolarHBondContact O-CA 3.4Å; E37-R40 WeakPolarHBondContact O-CB 3.49Å; E37-R40 PolarHBondContact O-N 3.17Å; E37-R40 VanDerWaalsContact O-N 3.1Å; E37-R40 IonicContact OE1-NH1 3.51Å; E37-R40 PolarHBondContact OE1-NH1 2.96Å; E37-R40 IonicContact OE2-CZ 3.24Å; E37-R40 IonicContact OE2-NH1 3.67Å; E37-R40 PolarHBondContact OE2-NH1 3.2Å; R40-F43 CarbonylContact O-C 3.56Å; R40-F43 WeakPolarHBondContact O-CA 3.4Å; R40-F43 WeakPolarHBondContact O-CB 3.41Å; R40-F43 PolarHBondContact O-N 3.02Å; R40-F43 VanDerWaalsContact O-N 3.09Å; R40-L44 HydrophobicContact CB-CD1 4.39Å; R40-L44 VanDerWaalsContact O-CB 3.29Å; R40-L44 WeakPolarHBondContact O-CB 3.19Å; R40-L44 VanDerWaalsContact O-CG 3.25Å; R40-L44 WeakPolarHBondContact O-CG 3.19Å; R40-L44 PolarHBondContact O-N 3.16Å
41	T	52.2	Low	46.7	Very low	43 Å²	43	89 Å²	89	26%	0.264	44%	0.444	S	S	.	.	H	α-helix	trans	-66.8	-42.7	177	-57.1	0	0	0	0	110.6	E37 D38 F43 L44 E45	E37-T41 WeakPolarHBondContact O-CB 3.22Å; E37-T41 PolarHBondContact O-N 3.01Å; E37-T41 PolarHBondContact O-OG1 3.27Å; D38-T41 PolarHBondContact O-N 3.23Å; T41-F43 PolarHBondContact O-N 3.24Å; T41-L44 PolarHBondContact O-N 2.69Å; T41-E45 HydrophobicContact CG2-CB 4.38Å; T41-E45 HydrophobicContact CG2-CG 4.26Å; T41-E45 WeakPolarHBondContact CG2-OE2 3.46Å; T41-E45 PolarHBondContact O-N 3.28Å
42	M	50.9	Low	46.4	Very low	23 Å²	23	83.5 Å²	83.5	11%	0.113	42%	0.42	C	S	.	.	H	α-helix	trans	-55.2	-36.2	168.8	-73.8	177.4	77.6	0	0	112.1	L34 D38 I39 I50 L53 L214	L34-M42 HydrophobicContact CD1-SD 4.01Å; D38-M42 WeakPolarHBondContact O-CB 3.44Å; D38-M42 VanDerWaalsContact O-CG 3.25Å; D38-M42 WeakPolarHBondContact O-CG 3.33Å; D38-M42 PolarHBondContact O-N 3.21Å; I39-M42 WeakPolarHBondContact O-CB 3.49Å; I39-M42 PolarHBondContact O-N 3.44Å; M42-I50 HydrophobicContact CB-CD1 4.29Å; M42-I50 HydrophobicContact CG-CD1 3.3Å; M42-L53 HydrophobicContact CE-CD1 3.98Å; M42-L53 HydrophobicContact CE-CD2 4.48Å; M42-L53 HydrophobicContact SD-CD1 4.33Å; M42-L214 HydrophobicContact CE-CD1 4.3Å
43	F	44.6	Very low	46.1	Very low	41 Å²	41	79.4 Å²	79.4	18%	0.18	40%	0.398	C	S	.	.	H	α-helix	trans	-81.4	-27.8	179.7	-75.7	-57.9	0	0	0	114.7	I39 R40 T41 L203 L214	I39-F43 HydrophobicContact CB-CE2 4.49Å; I39-F43 HydrophobicContact CG2-CD2 3.52Å; I39-F43 HydrophobicContact CG2-CE2 3.11Å; I39-F43 HydrophobicContact CG2-CZ 4.16Å; I39-F43 WeakPolarHBondContact O-CB 3.43Å; I39-F43 WeakPolarHBondContact O-CD2 3.43Å; I39-F43 WeakPolarHBondContact O-CG 3.2Å; I39-F43 PolarHBondContact O-N 3.14Å; R40-F43 CarbonylContact O-C 3.56Å; R40-F43 WeakPolarHBondContact O-CA 3.4Å; R40-F43 WeakPolarHBondContact O-CB 3.41Å; R40-F43 PolarHBondContact O-N 3.02Å; R40-F43 VanDerWaalsContact O-N 3.09Å; T41-F43 PolarHBondContact O-N 3.24Å; F43-L203 HydrophobicContact CB-CD2 4.04Å; F43-L203 HydrophobicContact CD1-CD2 3.84Å; F43-L203 HydrophobicContact CG-CD2 4.17Å; F43-L214 HydrophobicContact CE1-CB 4.1Å; F43-L214 HydrophobicContact CE1-CD1 4.34Å; F43-L214 HydrophobicContact CZ-CB 4.18Å
44	L	43.2	Very low	45.5	Very low	118 Å²	118	80.4 Å²	80.4	62%	0.618	40%	0.404	S	S	*	.	H	α-helix	trans	-104.9	-35	-169.4	-71.1	171	0	0	0	114.3	R40 T41	R40-L44 HydrophobicContact CB-CD1 4.39Å; R40-L44 VanDerWaalsContact O-CB 3.29Å; R40-L44 WeakPolarHBondContact O-CB 3.19Å; R40-L44 VanDerWaalsContact O-CG 3.25Å; R40-L44 WeakPolarHBondContact O-CG 3.19Å; R40-L44 PolarHBondContact O-N 3.16Å; T41-L44 PolarHBondContact O-N 2.69Å
45	E	44.7	Very low	44.8	Very low	135 Å²	135	80.8 Å²	80.8	63%	0.631	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-7.7	-169.1	-62	-172.7	166.9	0	0	113.3	T41	T41-E45 HydrophobicContact CG2-CB 4.38Å; T41-E45 HydrophobicContact CG2-CG 4.26Å; T41-E45 WeakPolarHBondContact CG2-OE2 3.46Å; T41-E45 PolarHBondContact O-N 3.28Å
46	G	43.7	Very low	44	Very low	37 Å²	37	84.9 Å²	84.9	38%	0.381	42%	0.42	S	S	.	.			trans	81.9	154.2	-178.6	0	0	0	0	0	112.7	E48	G46-E48 PolarHBondContact O-N 3.35Å
47	Y	42	Very low	43	Very low	73 Å²	73	87.1 Å²	87.1	29%	0.286	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-65.3	-10.4	-169.7	-155.9	-91.8	0	0	0	114.4	D49 I229	Y47-D49 PolarHBondContact O-N 3.06Å; Y47-I229 HydrophobicContact CD2-CG2 3.61Å; Y47-I229 HydrophobicContact CE2-CB 4.39Å; Y47-I229 HydrophobicContact CE2-CD1 4.42Å; Y47-I229 HydrophobicContact CE2-CG2 3.38Å; Y47-I229 HydrophobicContact CG-CG2 4.41Å
48	E	42.3	Very low	42.1	Very low	190 Å²	190	87.7 Å²	87.7	89%	0.888	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-76.8	-16.8	-168.5	-64.8	-166	161.8	0	0	114.4	G46	G46-E48 PolarHBondContact O-N 3.35Å
49	D	40.8	Very low	41	Very low	131 Å²	131	89.1 Å²	89.1	70%	0.701	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-104.1	-3.3	-174.5	-78.3	-35.6	0	0	0	115.7	Y47 K51	Y47-D49 PolarHBondContact O-N 3.06Å; D49-K51 PolarHBondContact O-N 2.81Å; D49-K51 VanDerWaalsContact O-N 3.15Å
50	I	41.2	Very low	40	Very low	63 Å²	63	93.3 Å²	93.3	32%	0.323	48%	0.483	S	S	.	.			trans	-89.4	90.3	178.8	-51.2	175.7	0	0	0	110.4	M42 G52 L53	M42-I50 HydrophobicContact CB-CD1 4.29Å; M42-I50 HydrophobicContact CG-CD1 3.3Å; I50-G52 VanDerWaalsContact C-N 3.34Å; I50-G52 PolarHBondContact O-N 2.87Å; I50-L53 HydrophobicContact CB-CD1 3.95Å; I50-L53 HydrophobicContact CD1-CD1 3.8Å; I50-L53 HydrophobicContact CG1-CD1 4.49Å; I50-L53 HydrophobicContact CG2-CD1 3.58Å; I50-L53 HydrophobicContact CG2-CG 3.94Å
51	K	36.7	Very low	38.9	Very low	214 Å²	214	93.4 Å²	93.4	93%	0.93	50%	0.495	S	S	*	.	S	Bend	trans	-67.1	93.2	161.5	-78.2	-176.3	179.1	175.2	0	109.4	D49	D49-K51 PolarHBondContact O-N 2.81Å; D49-K51 VanDerWaalsContact O-N 3.15Å
52	G	39	Very low	37.9	Very low	21 Å²	21	96.9 Å²	96.9	22%	0.216	52%	0.518	C	S	.	.			trans	120.7	63.2	162.7	0	0	0	0	0	116.2	D29 I50	D29-G52 WeakPolarHBondContact CB-O 3.34Å; D29-G52 PolarHBondContact N-O 3.04Å; D29-G52 WeakPolarHBondContact OD1-CA 3.27Å; D29-G52 VanDerWaalsContact OD2-C 3.31Å; D29-G52 WeakPolarHBondContact OD2-CA 3.35Å; I50-G52 VanDerWaalsContact C-N 3.34Å; I50-G52 PolarHBondContact O-N 2.87Å
53	L	37.1	Very low	36.9	Very low	19 Å²	19	103.1 Å²	103.1	10%	0.099	55%	0.545	C	S	.	.			trans	-110.1	96.5	165.8	-94.6	155.3	0	0	0	110.2	D29 L34 M42 I50 I55	D29-L53 VanDerWaalsContact OD1-C 3.23Å; D29-L53 WeakPolarHBondContact OD1-CA 3.41Å; D29-L53 PolarHBondContact OD1-N 3.37Å; L34-L53 HydrophobicContact CD1-CD2 4.34Å; M42-L53 HydrophobicContact CE-CD1 3.98Å; M42-L53 HydrophobicContact CE-CD2 4.48Å; M42-L53 HydrophobicContact SD-CD1 4.33Å; I50-L53 HydrophobicContact CB-CD1 3.95Å; I50-L53 HydrophobicContact CD1-CD1 3.8Å; I50-L53 HydrophobicContact CG1-CD1 4.49Å; I50-L53 HydrophobicContact CG2-CD1 3.58Å; I50-L53 HydrophobicContact CG2-CG 3.94Å; L53-I55 VanDerWaalsContact C-N 3.32Å; L53-I55 PolarHBondContact O-N 3.05Å
54	N	34.8	Very low	36.3	Very low	103 Å²	103	103.5 Å²	103.5	55%	0.551	56%	0.555	S	S	*	*			trans	-89.5	73.1	176.8	-157.3	12.5	0	0	0	108.8	D29 Q56	D29-N54 WeakPolarHBondContact OD1-CA 3.3Å; D29-N54 WeakPolarHBondContact OD1-CB 3.39Å; D29-N54 PolarHBondContact OD1-N 3.49Å; N54-Q56 PolarHBondContact O-N 2.92Å
55	I	36.2	Very low	36	Very low	22 Å²	22	100.7 Å²	100.7	11%	0.113	55%	0.546	C	S	.	.			trans	-67.4	102	165.2	-59.3	169.8	0	0	0	106.2	L53 E57 P224 R226 I229	L53-I55 VanDerWaalsContact C-N 3.32Å; L53-I55 PolarHBondContact O-N 3.05Å; I55-E57 PolarHBondContact O-N 3.13Å; I55-P224 WeakPolarHBondContact CG2-O 3.32Å; I55-R226 HydrophobicContact CB-CB 3.94Å; I55-R226 HydrophobicContact CD1-CB 3.86Å; I55-R226 HydrophobicContact CD1-CG 4.18Å; I55-R226 HydrophobicContact CG1-CB 4.48Å; I55-R226 HydrophobicContact CG2-CB 3.98Å; I55-I229 HydrophobicContact CD1-CD1 3.86Å
56	Q	33.4	Very low	35.6	Very low	157 Å²	157	98.5 Å²	98.5	73%	0.734	55%	0.545	S	S	*	.			trans	-54	125.5	178	-76.5	-172.9	-18.2	0	0	110.2	N54 T58	N54-Q56 PolarHBondContact O-N 2.92Å; Q56-T58 PolarHBondContact O-N 3.12Å
57	E	29.3	Very low	35.2	Very low	157 Å²	157	103.3 Å²	103.3	73%	0.734	55%	0.552	S	S	*	*			trans	-61.6	105.9	165.9	-74.8	179.9	142.7	0	0	108.1	I55 S59 T60	I55-E57 PolarHBondContact O-N 3.13Å; E57-S59 VanDerWaalsContact C-N 3.31Å; E57-S59 PolarHBondContact O-N 2.93Å; E57-T60 HydrophobicContact CB-CG2 4.15Å; E57-T60 WeakPolarHBondContact OE2-CG2 3.22Å
58	T	33.6	Very low	34.9	Very low	115 Å²	115	104.8 Å²	104.8	71%	0.706	56%	0.563	S	S	*	*	S	Bend	trans	-65.9	99.5	163.6	44.2	0	0	0	0	107.5	Q56	Q56-T58 PolarHBondContact O-N 3.12Å
59	S	32.2	Very low	34.6	Very low	98 Å²	98	99.9 Å²	99.9	69%	0.685	54%	0.543	S	S	*	.			trans	74.7	85.3	175.5	73.5	0	0	0	0	117.6	E57 T61	E57-S59 VanDerWaalsContact C-N 3.31Å; E57-S59 PolarHBondContact O-N 2.93Å; S59-T61 PolarHBondContact O-N 2.99Å
60	T	30.9	Very low	34.5	Very low	100 Å²	100	95.4 Å²	95.4	61%	0.613	52%	0.524	S	S	*	.			trans	-70.4	72.1	148.7	41.3	0	0	0	0	110.6	E57	E57-T60 HydrophobicContact CB-CG2 4.15Å; E57-T60 WeakPolarHBondContact OE2-CG2 3.22Å
61	T	29.2	Very low	34.5	Very low	102 Å²	102	97.5 Å²	97.5	63%	0.626	53%	0.531	S	S	*	.			trans	-115.7	97	160	37.2	0	0	0	0	109.4	S59 F63	S59-T61 PolarHBondContact O-N 2.99Å; T61-F63 PolarHBondContact O-N 3.15Å
62	P	29.7	Very low	34.7	Very low	115 Å²	115	90.8 Å²	90.8	75%	0.747	50%	0.504	S	S	*	.			trans	-72.1	73.4	162.8	31	-30.6	0	0	0	107.8
63	F	30.2	Very low	34.7	Very low	154 Å²	154	93 Å²	93	68%	0.675	52%	0.516	S	S	*	.			trans	-131	-0.5	-178.6	-130.5	-90.6	0	0	0	114.9	T61	T61-F63 PolarHBondContact O-N 3.15Å
64	A	31.8	Very low	34.7	Very low	49 Å²	49	98.7 Å²	98.7	41%	0.405	54%	0.54	S	S	.	.	S	Bend	trans	-101.1	-44.8	177.9	0	0	0	0	0	113.9	M68	A64-M68 VanDerWaalsContact O-CB 3.24Å; A64-M68 WeakPolarHBondContact O-CB 3.41Å; A64-M68 PolarHBondContact O-N 3.18Å
65	S	37.5	Very low	34.8	Very low	59 Å²	59	98.1 Å²	98.1	41%	0.413	54%	0.541	S	S	.	.	H	α-helix	trans	-71	-50.1	-173	65.6	0	0	0	0	113.1	W67 D69	S65-W67 PolarHBondContact O-N 3.24Å; S65-D69 WeakPolarHBondContact O-CB 3.49Å; S65-D69 VanDerWaalsContact O-CG 3.23Å; S65-D69 PolarHBondContact O-N 3.11Å
66	S	37.1	Very low	34.9	Very low	89 Å²	89	103.2 Å²	103.2	62%	0.622	56%	0.558	S	S	*	*	H	α-helix	trans	-64.4	-38.5	177.2	164.4	0	0	0	0	112.9	A70	S66-A70 WeakPolarHBondContact O-CA 3.48Å; S66-A70 WeakPolarHBondContact O-CB 3.46Å; S66-A70 PolarHBondContact O-N 3.03Å
67	W	34.9	Very low	35.1	Very low	139 Å²	139	99 Å²	99	53%	0.527	55%	0.551	S	S	.	*	H	α-helix	trans	-76.9	-38.7	-179.3	-171.6	73.5	0	0	0	112.2	S65 K71	S65-W67 PolarHBondContact O-N 3.24Å; W67-K71 HydrophobicContact CH2-CD 4.12Å; W67-K71 HydrophobicContact CZ2-CD 4Å; W67-K71 HydrophobicContact CZ3-CD 4.41Å; W67-K71 WeakPolarHBondContact O-CB 3.46Å; W67-K71 PolarHBondContact O-N 3.17Å
68	M	34.2	Very low	35.2	Very low	103 Å²	103	101.5 Å²	101.5	51%	0.507	55%	0.554	S	S	.	*	H	α-helix	trans	-73.5	-37.2	173.2	-81.1	176.3	166.3	0	0	112.3	A64 K71 L72	A64-M68 VanDerWaalsContact O-CB 3.24Å; A64-M68 WeakPolarHBondContact O-CB 3.41Å; A64-M68 PolarHBondContact O-N 3.18Å; M68-K71 CarbonylContact O-C 3.59Å; M68-K71 PolarHBondContact O-N 2.96Å; M68-L72 HydrophobicContact CB-CD1 4.43Å; M68-L72 WeakPolarHBondContact O-CA 3.5Å; M68-L72 WeakPolarHBondContact O-CB 3.48Å; M68-L72 WeakPolarHBondContact O-CD1 2.79Å; M68-L72 WeakPolarHBondContact O-CG 3.32Å; M68-L72 PolarHBondContact O-N 3.3Å
69	D	37.6	Very low	35.2	Very low	88 Å²	88	100.4 Å²	100.4	47%	0.471	55%	0.55	S	S	.	*	H	α-helix	trans	-69.8	-34.6	172.9	-70.8	-33.1	0	0	0	111.7	S65 S73	S65-D69 WeakPolarHBondContact O-CB 3.49Å; S65-D69 VanDerWaalsContact O-CG 3.23Å; S65-D69 PolarHBondContact O-N 3.11Å; D69-S73 WeakPolarHBondContact O-CB 2.89Å; D69-S73 PolarHBondContact O-N 3.43Å; D69-S73 PolarHBondContact O-OG 3.24Å
70	A	38.9	Very low	35.2	Very low	36 Å²	36	103.1 Å²	103.1	30%	0.298	55%	0.546	S	S	.	.	H	α-helix	trans	-69.8	-34.4	171.1	0	0	0	0	0	112.1	S66 S73 K74	S66-A70 WeakPolarHBondContact O-CA 3.48Å; S66-A70 WeakPolarHBondContact O-CB 3.46Å; S66-A70 PolarHBondContact O-N 3.03Å; A70-S73 WeakPolarHBondContact CA-OG 3.01Å; A70-S73 PolarHBondContact O-OG 2.72Å; A70-K74 WeakPolarHBondContact O-CB 3.48Å; A70-K74 WeakPolarHBondContact O-CG 3.24Å; A70-K74 PolarHBondContact O-N 3.1Å
71	K	39.4	Very low	35.1	Very low	108 Å²	108	105.6 Å²	105.6	47%	0.47	55%	0.554	S	S	.	*	H	α-helix	trans	-79.6	-37.5	178.2	-155.2	170.8	-171	-176.5	0	110.7	W67 M68 K74 T75	W67-K71 HydrophobicContact CH2-CD 4.12Å; W67-K71 HydrophobicContact CZ2-CD 4Å; W67-K71 HydrophobicContact CZ3-CD 4.41Å; W67-K71 WeakPolarHBondContact O-CB 3.46Å; W67-K71 PolarHBondContact O-N 3.17Å; M68-K71 CarbonylContact O-C 3.59Å; M68-K71 PolarHBondContact O-N 2.96Å; K71-K74 PolarHBondContact O-N 3.16Å; K71-T75 WeakPolarHBondContact O-CB 2.98Å; K71-T75 PolarHBondContact O-N 3.47Å; K71-T75 PolarHBondContact O-OG1 3.18Å
72	L	42.1	Very low	34.9	Very low	73 Å²	73	113.4 Å²	113.4	38%	0.382	57%	0.573	S	S	.	*	H	α-helix	trans	-71.4	-37.3	173.4	-72.2	164.5	0	0	0	111.5	M68 T75 R76	M68-L72 HydrophobicContact CB-CD1 4.43Å; M68-L72 WeakPolarHBondContact O-CA 3.5Å; M68-L72 WeakPolarHBondContact O-CB 3.48Å; M68-L72 WeakPolarHBondContact O-CD1 2.79Å; M68-L72 WeakPolarHBondContact O-CG 3.32Å; M68-L72 PolarHBondContact O-N 3.3Å; L72-T75 PolarHBondContact O-N 2.79Å; L72-R76 WeakPolarHBondContact O-CB 3.08Å; L72-R76 WeakPolarHBondContact O-CG 3.25Å; L72-R76 PolarHBondContact O-N 3.07Å
73	S	38.3	Very low	34.9	Very low	66 Å²	66	113 Å²	113	46%	0.462	57%	0.57	S	S	.	*	H	α-helix	trans	-69.3	-40.9	169.7	61.1	0	0	0	0	112.2	D69 A70 T75 R76 A77	D69-S73 WeakPolarHBondContact O-CB 2.89Å; D69-S73 PolarHBondContact O-N 3.43Å; D69-S73 PolarHBondContact O-OG 3.24Å; A70-S73 WeakPolarHBondContact CA-OG 3.01Å; A70-S73 PolarHBondContact O-OG 2.72Å; S73-T75 VanDerWaalsContact C-N 3.29Å; S73-T75 PolarHBondContact O-N 3.39Å; S73-R76 PolarHBondContact O-N 3.14Å; S73-A77 VanDerWaalsContact O-CB 3.29Å; S73-A77 WeakPolarHBondContact O-CB 3.1Å; S73-A77 PolarHBondContact O-N 3.21Å
74	K	38.4	Very low	34.8	Very low	140 Å²	140	111.7 Å²	111.7	61%	0.609	58%	0.575	S	S	*	*	H	α-helix	trans	-68.1	-24.6	173.2	-77.7	175.3	178.7	177	0	113.6	A70 K71 R78	A70-K74 WeakPolarHBondContact O-CB 3.48Å; A70-K74 WeakPolarHBondContact O-CG 3.24Å; A70-K74 PolarHBondContact O-N 3.1Å; K71-K74 PolarHBondContact O-N 3.16Å; K74-R78 VanDerWaalsContact O-CB 3.31Å; K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 WeakPolarHBondContact O-CD 3.4Å; K74-R78 VanDerWaalsContact O-CG 3.26Å; K74-R78 WeakPolarHBondContact O-CG 3.45Å; K74-R78 PolarHBondContact O-N 3.3Å
75	T	36.8	Very low	34.6	Very low	91 Å²	91	114.3 Å²	114.3	56%	0.558	59%	0.59	S	S	*	*	H	α-helix	trans	-87.4	-32.8	175.9	-49.7	0	0	0	0	110.9	K71 L72 S73 A77 R78	K71-T75 WeakPolarHBondContact O-CB 2.98Å; K71-T75 PolarHBondContact O-N 3.47Å; K71-T75 PolarHBondContact O-OG1 3.18Å; L72-T75 PolarHBondContact O-N 2.79Å; S73-T75 VanDerWaalsContact C-N 3.29Å; S73-T75 PolarHBondContact O-N 3.39Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-R78 PolarHBondContact O-N 3.22Å
76	R	38.6	Very low	34.3	Very low	128 Å²	128	121.3 Å²	121.3	48%	0.483	61%	0.613	S	S	.	*	H	α-helix	trans	-69.7	-24.8	168.9	-74.8	174.4	-171.5	172.5	10.4	113.2	L72 S73	L72-R76 WeakPolarHBondContact O-CB 3.08Å; L72-R76 WeakPolarHBondContact O-CG 3.25Å; L72-R76 PolarHBondContact O-N 3.07Å; S73-R76 PolarHBondContact O-N 3.14Å
77	A	35.5	Very low	33.7	Very low	70 Å²	70	122 Å²	122	58%	0.579	62%	0.618	S	S	*	*	S	Bend	trans	-89.3	-11.9	174.4	0	0	0	0	0	114.3	S73 T75	S73-A77 VanDerWaalsContact O-CB 3.29Å; S73-A77 WeakPolarHBondContact O-CB 3.1Å; S73-A77 PolarHBondContact O-N 3.21Å; T75-A77 VanDerWaalsContact C-N 3.32Å
78	R	32.2	Very low	33.5	Very low	209 Å²	209	122.3 Å²	122.3	79%	0.789	64%	0.635	S	S	*	*	S	Bend	trans	-102.7	2.6	-176	-83.3	-179.7	161.5	177.2	-5.9	115.4	K74 T75 R80	K74-R78 VanDerWaalsContact O-CB 3.31Å; K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 WeakPolarHBondContact O-CD 3.4Å; K74-R78 VanDerWaalsContact O-CG 3.26Å; K74-R78 WeakPolarHBondContact O-CG 3.45Å; K74-R78 PolarHBondContact O-N 3.3Å; T75-R78 PolarHBondContact O-N 3.22Å; R78-R80 VanDerWaalsContact C-N 3.29Å
79	S	34.1	Very low	33.1	Very low	91 Å²	91	122.6 Å²	122.6	64%	0.636	64%	0.643	S	S	*	*	S	Bend	trans	-87.8	10.3	173.3	59.6	0	0	0	0	114.3
80	R	31.5	Very low	32.7	Very low	156 Å²	156	124.8 Å²	124.8	59%	0.589	66%	0.66	S	S	*	*	S	Bend	trans	-134.6	90.6	170.8	-71.7	178.8	175.8	176.2	-5.1	108.4	R78 H437	R78-R80 VanDerWaalsContact C-N 3.29Å; R80-H437 PolarHBondContact NH2-ND1 3.38Å
81	L	28.1	Very low	32.1	Very low	152 Å²	152	127.8 Å²	127.8	80%	0.796	67%	0.674	S	S	*	*			trans	-178	81.2	159.7	-96.4	164.1	0	0	0	107.4
82	W	25.5	Very low	31.6	Very low	266 Å²	266	130 Å²	130	100%	1.008	69%	0.69	S	S	*	*			trans	-99.6	124	143.9	-87.8	-10.5	0	0	0	106.1
83	P	30.9	Very low	31	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	70%	0.702	S	S	*	*				-132.2	146.3	123.2	20.7	-2.1	0	0	0	112.8
84	T	28.4	Very low	30.6	Very low	126 Å²	126	137.9 Å²	137.9	77%	0.773	72%	0.719	S	S	*	*			trans	-45.1	142.6	171.2	43.7	0	0	0	0	116.2
85	S	26.8	Very low	30.3	Very low	104 Å²	104	136.7 Å²	136.7	73%	0.727	72%	0.723	S	S	*	*			trans	64.9	119.8	146.3	71.3	0	0	0	0	119.4
86	K	31	Very low	30	Very low	205 Å²	205	137.6 Å²	137.6	89%	0.891	73%	0.729	S	S	*	*				-165.3	126.4	115.2	-102.8	168.7	-173	178.6	0	111
87	S	25.4	Very low	29.8	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	74%	0.74	S	S	*	*			trans	-55	142.8	173.2	49	0	0	0	0	114.8
88	T	30.1	Very low	29.6	Very low	146 Å²	146	140.5 Å²	140.5	90%	0.896	74%	0.744	S	S	*	*			trans	-139.9	112.2	141.2	-36.8	0	0	0	0	110.4
89	T	26	Very low	29.6	Very low	109 Å²	109	137 Å²	137	67%	0.669	74%	0.741	S	S	*	*			trans	-41.4	139.4	170.2	-48.5	0	0	0	0	115.1	V91	T89-V91 HydrophobicContact CG2-CG2 4.24Å
90	T	28.6	Very low	29.4	Very low	134 Å²	134	139.2 Å²	139.2	82%	0.822	75%	0.745	S	S	*	*				-159.1	95	126.3	-57.4	0	0	0	0	110.6
91	V	27	Very low	29.4	Very low	99 Å²	99	137.6 Å²	137.6	60%	0.6	75%	0.753	S	S	*	*			trans	34.4	118.7	133.6	-168.8	0	0	0	0	119.2	T89	T89-V91 HydrophobicContact CG2-CG2 4.24Å
92	L	29.3	Very low	29.3	Very low	155 Å²	155	135.1 Å²	135.1	81%	0.812	75%	0.748	S	S	*	*				-171	103.1	114.8	-93.7	166.9	0	0	0	112
93	N	27.6	Very low	29.4	Very low	117 Å²	117	129.1 Å²	129.1	63%	0.626	74%	0.736	S	S	*	*			trans	30.5	124.9	144.2	-59.1	-15.7	0	0	0	121.4
94	F	31	Very low	29.2	Very low	187 Å²	187	130.9 Å²	130.9	82%	0.82	74%	0.74	S	S	*	*				179.6	116.1	98.6	-90.3	-73.5	0	0	0	111.2
95	T	32	Very low	29.1	Very low	115 Å²	115	130.5 Å²	130.5	71%	0.706	74%	0.737	S	S	*	*			trans	26.7	140	140.7	56.8	0	0	0	0	120.6
96	T	30.7	Very low	29.1	Very low	111 Å²	111	132.2 Å²	132.2	68%	0.681	74%	0.738	S	S	*	*			cis	179.9	147.4	9.3	21.8	0	0	0	0	108.4
97	N	33.2	Very low	28.9	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	73%	0.732	S	S	*	*			trans	65.8	146.1	150.9	-58	6.3	0	0	0	119.1
98	D	31.8	Very low	28.9	Very low	125 Å²	125	133.4 Å²	133.4	67%	0.668	74%	0.737	S	S	*	*			cis	-171.2	146.4	-11	-106	-35.4	0	0	0	107.2
99	L	32.8	Very low	28.7	Very low	137 Å²	137	133.7 Å²	133.7	72%	0.717	73%	0.732	S	S	*	*			trans	65.9	108.3	143.1	-62.6	164.4	0	0	0	122.9
100	N	29.2	Very low	28.9	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	74%	0.736	S	S	*	*				77.2	126.8	118.5	-78.2	-6.2	0	0	0	124.3
101	T	31.5	Very low	29	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	73%	0.733	S	S	*	*			trans	87.1	102.9	138	52.7	0	0	0	0	121.5
102	S	27.5	Very low	29.2	Very low	100 Å²	100	143 Å²	143	70%	0.699	75%	0.748	S	S	*	*				63.5	125.4	128.6	77.4	0	0	0	0	122.3
103	N	27.5	Very low	29.2	Very low	140 Å²	140	142.8 Å²	142.8	75%	0.749	74%	0.742	S	S	*	*			trans	95.1	118.1	142.7	-68.5	4.4	0	0	0	119.4
104	D	25.4	Very low	29.4	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	76%	0.757	S	S	*	*			trans	76.5	142.4	147.4	-61.2	-34.5	0	0	0	119.6
105	V	27.7	Very low	29.2	Very low	118 Å²	118	143 Å²	143	72%	0.715	75%	0.75	S	S	*	*			trans	99.7	103.3	152.8	-162.5	0	0	0	0	116.8
106	D	25.5	Very low	29.2	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	75%	0.752	S	S	*	*			trans	72.4	157.4	136.4	-68.1	-26.5	0	0	0	123
107	L	27.4	Very low	29.3	Very low	148 Å²	148	147.1 Å²	147.1	78%	0.775	76%	0.763	S	S	*	*			trans	91.6	106	159	-60.1	147.9	0	0	0	113.9
108	K	25.4	Very low	29	Very low	186 Å²	186	149.3 Å²	149.3	81%	0.809	77%	0.768	S	S	*	*				63.8	148.2	83	-83.5	-166.7	175.8	-175.4	0	112.8
109	L	26.4	Very low	29	Very low	152 Å²	152	149.7 Å²	149.7	80%	0.796	78%	0.779	S	S	*	*			trans	107.8	123.8	173.3	-64.4	150.4	0	0	0	110.8
110	D	29.7	Very low	28.7	Very low	140 Å²	140	150 Å²	150	75%	0.749	78%	0.782	S	S	*	*			cis	-149	141.9	27.6	-81.3	-52.6	0	0	0	113.5
111	E	30	Very low	28.8	Very low	162 Å²	162	152.4 Å²	152.4	76%	0.757	79%	0.791	S	S	*	*			trans	-71.9	144.5	166.4	-72.9	169.5	142.3	0	0	111.1	H113	E111-H113 IonicContact OE2-NE2 2.95Å
112	Y	30.9	Very low	28.9	Very low	236 Å²	236	150.8 Å²	150.8	93%	0.925	79%	0.79	S	S	*	*			trans	-100.8	110.4	158.5	-94.2	-89.9	0	0	0	108.5
113	H	29.2	Very low	29.2	Very low	149 Å²	149	153.7 Å²	153.7	69%	0.69	79%	0.792	S	S	*	*			trans	-78.9	133.9	169.6	-77.4	-71.4	0	0	0	111.1	E111	E111-H113 IonicContact OE2-NE2 2.95Å
114	E	31.7	Very low	29.4	Very low	200 Å²	200	153.3 Å²	153.3	94%	0.935	79%	0.79	S	S	*	*			trans	-119.4	121	146.2	-89.7	-177.5	164.2	0	0	107.5
115	T	28.7	Very low	29.7	Very low	109 Å²	109	152.1 Å²	152.1	67%	0.669	79%	0.793	S	S	*	*			trans	-84.8	147.6	177.2	50.9	0	0	0	0	110
116	D	30.8	Very low	29.8	Very low	141 Å²	141	156 Å²	156	75%	0.754	80%	0.801	S	S	*	*				174	139.1	114.3	-82	-11	0	0	0	113.1
117	L	32.2	Very low	30.1	Very low	172 Å²	172	154 Å²	154	90%	0.901	80%	0.797	S	S	*	*			trans	89.9	93	154.5	-68.4	147.7	0	0	0	120.1
118	E	27.8	Very low	30.3	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	80%	0.796	S	S	*	*			trans	-73.4	148.4	157.6	-70.6	173.7	146.5	0	0	112.8
119	C	30.7	Very low	30.6	Very low	133 Å²	133	153.2 Å²	153.2	90%	0.899	79%	0.792	S	S	*	*			trans	-157.5	132.7	135.5	-103.6	0	0	0	0	111.5
120	D	28.3	Very low	30.6	Very low	145 Å²	145	151.7 Å²	151.7	78%	0.775	79%	0.79	S	S	*	*			trans	-62.4	155.9	-170.4	-63.5	-57	0	0	0	116.9
121	M	30.8	Very low	30.6	Very low	185 Å²	185	149.7 Å²	149.7	91%	0.911	79%	0.787	S	S	*	*				179.3	111.2	114.2	-80.8	-109.5	-150.8	0	0	111.8
122	A	34.1	Very low	30.7	Very low	88 Å²	88	149.7 Å²	149.7	73%	0.727	79%	0.786	S	S	*	*			trans	19.5	147.5	132.1	0	0	0	0	0	119.9
123	E	33.1	Very low	30.7	Very low	162 Å²	162	143.9 Å²	143.9	76%	0.757	77%	0.771	S	S	*	*			cis	-177.7	157.9	7.1	-116.5	-179.9	-170.7	0	0	108.2
124	N	31.5	Very low	30.6	Very low	132 Å²	132	144.5 Å²	144.5	71%	0.706	77%	0.774	S	S	*	*			trans	63.6	111.4	146	-72.2	-36.2	0	0	0	121.1
125	S	32	Very low	30.5	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	77%	0.766	S	S	*	*				173.2	140.2	83.9	45.4	0	0	0	0	113.4
126	K	29.9	Very low	30.5	Very low	200 Å²	200	141.7 Å²	141.7	87%	0.87	77%	0.765	S	S	*	*			trans	-69.3	153	-179.6	-65.3	163.5	170.6	173.1	0	112.5
127	S	32.2	Very low	30.3	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	76%	0.763	S	S	*	*				159.8	131.2	107.2	59	0	0	0	0	112.9
128	Q	31.7	Very low	30.2	Very low	160 Å²	160	141.3 Å²	141.3	75%	0.748	76%	0.756	S	S	*	*			trans	51.4	139.3	132.9	-68.2	170.2	-74.5	0	0	118.6
129	E	31	Very low	30.3	Very low	158 Å²	158	140.1 Å²	140.1	74%	0.738	75%	0.75	S	S	*	*			cis	-171.4	157.6	29.4	-129.8	155.9	-148.9	0	0	110.1
130	T	26.1	Very low	30.1	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	74%	0.741	S	S	*	*			trans	-61.3	152.7	174.6	44.9	0	0	0	0	115.1
131	S	30.2	Very low	30	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	74%	0.744	S	S	*	*				147.2	142.5	112.4	57.4	0	0	0	0	116.6
132	H	32.8	Very low	29.9	Very low	162 Å²	162	140.2 Å²	140.2	75%	0.75	74%	0.737	S	S	*	*			trans	74.1	144.8	151.2	-69.4	-21.8	0	0	0	119.2
133	N	31.2	Very low	29.6	Very low	114 Å²	114	144.2 Å²	144.2	61%	0.61	74%	0.74	S	S	*	*			cis	-169.1	132.7	0.7	-101.9	-17.7	0	0	0	105.2
134	Q	26.9	Very low	29.3	Very low	162 Å²	162	146.1 Å²	146.1	76%	0.757	75%	0.746	S	S	*	*				59.5	136.9	108.7	-74.1	-165.2	-15.4	0	0	119.7
135	L	28.9	Very low	29.2	Very low	145 Å²	145	144.6 Å²	144.6	76%	0.759	75%	0.746	S	S	*	*			trans	81.1	140.2	157.2	-58.3	134.5	0	0	0	116.1
136	T	29.1	Very low	29.2	Very low	106 Å²	106	146.7 Å²	146.7	65%	0.65	74%	0.74	S	S	*	*			cis	-175.5	153.9	0.3	20.7	0	0	0	0	106.5
137	D	25.6	Very low	29.2	Very low	134 Å²	134	147.8 Å²	147.8	72%	0.717	74%	0.739	S	S	*	*			trans	32.2	132.5	146.2	-60.3	-25.8	0	0	0	120.9
138	F	30.1	Very low	29	Very low	171 Å²	171	152.4 Å²	152.4	75%	0.75	75%	0.747	S	S	*	*				172.1	119.9	113.3	-106.2	-101.8	0	0	0	111.9
139	Q	31.1	Very low	28.9	Very low	152 Å²	152	153.6 Å²	153.6	71%	0.71	75%	0.75	S	S	*	*			trans	53.9	106.3	131.1	-64.6	-174.7	-15	0	0	121.2
140	S	26.4	Very low	29	Very low	99 Å²	99	154.1 Å²	154.1	69%	0.692	76%	0.756	S	S	*	*				38.9	129	119.7	64.7	0	0	0	0	122.2
141	R	26.2	Very low	29.1	Very low	226 Å²	226	155.7 Å²	155.7	85%	0.853	76%	0.76	S	S	*	*			trans	79	136.4	137.2	-79.4	-177	177	173.1	-0.8	120.1
142	D	28.1	Very low	29.1	Very low	140 Å²	140	155.7 Å²	155.7	75%	0.749	76%	0.76	S	S	*	*			trans	74.7	110.1	154.9	-56.7	-20.9	0	0	0	118
143	E	28.4	Very low	29	Very low	172 Å²	172	158.8 Å²	158.8	80%	0.804	77%	0.765	S	S	*	*				-171.2	104	109.1	-100.5	-167.6	-179.7	0	0	111.5
144	F	27	Very low	29	Very low	202 Å²	202	161.4 Å²	161.4	89%	0.886	78%	0.778	S	S	*	*			trans	-69.2	144.5	156.9	-128.4	-99.6	0	0	0	109.1
145	S	27.9	Very low	29.1	Very low	101 Å²	101	162.1 Å²	162.1	71%	0.706	78%	0.781	S	S	*	*			trans	78.8	96.4	158.8	-53.6	0	0	0	0	119.5
146	K	32.5	Very low	29.3	Very low	163 Å²	163	165 Å²	165	71%	0.709	79%	0.788	S	S	*	*			trans	-141.9	110.3	140.2	-90.3	175.4	-168.6	134	0	112.7
147	R	29.6	Very low	29.2	Very low	222 Å²	222	165.4 Å²	165.4	84%	0.838	80%	0.795	S	S	*	*			trans	65.5	111.8	131.6	-61.2	169.1	-174.4	-114.3	-0.7	116.6
148	K	29.4	Very low	29.7	Very low	193 Å²	193	164.3 Å²	164.3	84%	0.839	80%	0.795	S	S	*	*				57	110.8	55.8	-118.9	-175.4	-170	173.9	0	115
149	K	28.5	Very low	29.7	Very low	186 Å²	186	163.4 Å²	163.4	81%	0.809	80%	0.804	S	S	*	*			trans	72.4	125.3	154.8	-68.3	-179.5	174.3	-174.3	0	118.3
150	I	33	Very low	29.5	Very low	168 Å²	168	163.7 Å²	163.7	86%	0.862	81%	0.808	S	S	*	*				-165.5	113.6	113.1	-86.6	145.8	0	0	0	108.6
151	D	27.7	Very low	29.7	Very low	154 Å²	154	164.2 Å²	164.2	82%	0.824	81%	0.812	S	S	*	*			trans	-67.7	144.9	157.9	-93.7	-50.1	0	0	0	109.7
152	S	31.9	Very low	30.1	Very low	97 Å²	97	158.5 Å²	158.5	68%	0.678	80%	0.804	S	S	*	*				157.9	133.6	115.3	57.5	0	0	0	0	113.5
153	R	29.4	Very low	30.1	Very low	228 Å²	228	158.5 Å²	158.5	86%	0.86	80%	0.804	S	S	*	*			trans	66	111.2	139.9	-71	173.1	176	-177.9	-0.7	118.2
154	L	31.9	Very low	30.3	Very low	169 Å²	169	158.4 Å²	158.4	89%	0.885	81%	0.809	S	S	*	*				177.4	133.1	97.6	-93	157.3	0	0	0	111.8
155	Q	28.9	Very low	30.2	Very low	176 Å²	176	156.8 Å²	156.8	82%	0.822	81%	0.805	S	S	*	*			trans	-65.4	142.7	170.1	-63.5	165.2	-20	0	0	111.4
156	K	33.7	Very low	30.4	Very low	206 Å²	206	161.9 Å²	161.9	90%	0.896	81%	0.814	S	S	*	*				166.4	117.1	126.2	-91.2	171.2	-178.9	-176.3	0	111
157	S	26.3	Very low	30.2	Very low	114 Å²	114	162.7 Å²	162.7	80%	0.797	82%	0.817	S	S	*	*			trans	-84.2	-174.2	163.8	35.6	0	0	0	0	110.6
158	P	34.9	Very low	30.1	Very low	111 Å²	111	162 Å²	162	72%	0.721	82%	0.821	S	S	*	*				-129.3	174.9	-59.8	36.3	-20.9	0	0	0	111.5
159	T	30.4	Very low	30	Very low	153 Å²	153	158.2 Å²	158.2	94%	0.939	82%	0.819	S	S	*	*			trans	-163.3	141.3	154.4	11	0	0	0	0	112.4
160	I	28.5	Very low	30	Very low	157 Å²	157	156 Å²	156	81%	0.805	81%	0.814	S	S	*	*			trans	-89.6	145.6	-170.4	-65.4	156.3	0	0	0	110.7
161	S	29.8	Very low	29.8	Very low	110 Å²	110	154.8 Å²	154.8	77%	0.769	81%	0.81	S	S	*	*				166.8	155.9	126.3	-78.8	0	0	0	0	114.6
162	P	33.6	Very low	30	Very low	106 Å²	106	152 Å²	152	69%	0.688	80%	0.802	S	S	*	*			trans	-121.6	-169.4	-141	41.5	-27.2	0	0	0	115.1
163	N	29.2	Very low	29.8	Very low	140 Å²	140	156.2 Å²	156.2	75%	0.749	81%	0.808	S	S	*	*			trans	104	113.9	162.1	-66.6	-12.8	0	0	0	117.8
164	N	32.1	Very low	29.8	Very low	171 Å²	171	153.2 Å²	153.2	91%	0.914	81%	0.808	S	S	*	*				-164.2	111.9	119.8	-95.1	-22.7	0	0	0	111.6
165	E	25.5	Very low	29.5	Very low	168 Å²	168	150.2 Å²	150.2	79%	0.785	80%	0.796	S	S	*	*			trans	-77.2	148.9	166.8	-65.7	-179.6	147.2	0	0	111.6
166	K	32.1	Very low	29.4	Very low	208 Å²	208	148.7 Å²	148.7	90%	0.904	79%	0.794	S	S	*	*			trans	-169.3	87.2	146.1	-103.9	174	-175.2	-177.1	0	107.6
167	K	27.6	Very low	29	Very low	179 Å²	179	147.5 Å²	147.5	78%	0.778	79%	0.791	S	S	*	*				45.2	108.6	98.7	-82.6	-172.5	179.9	176.9	0	115.8
168	F	28.4	Very low	29	Very low	207 Å²	207	148 Å²	148	91%	0.908	79%	0.79	S	S	*	*			trans	-144.4	127.8	134.5	-108.9	-85	0	0	0	108.9
169	S	26.1	Very low	28.5	Very low	114 Å²	114	150 Å²	150	80%	0.797	79%	0.794	S	S	*	*			trans	-146.9	125.9	-177.4	-165.5	0	0	0	0	107.5
170	I	29.9	Very low	28.4	Very low	139 Å²	139	148.3 Å²	148.3	71%	0.713	78%	0.784	S	S	*	*			trans	-149.2	102.3	168.1	-62.5	-175.7	0	0	0	104.2
171	N	28.3	Very low	28.3	Very low	144 Å²	144	151 Å²	151	77%	0.77	79%	0.789	S	S	*	*				62.5	135.1	97.6	-77.2	-20.2	0	0	0	113.2
172	S	30.7	Very low	28.3	Very low	96 Å²	96	152.2 Å²	152.2	67%	0.671	79%	0.786	S	S	*	*			cis	-178	145.9	11.8	48.4	0	0	0	0	111.8
173	K	29.5	Very low	28.1	Very low	185 Å²	185	155.8 Å²	155.8	80%	0.804	79%	0.787	S	S	*	*			trans	57.3	109.4	134	-67.2	176.6	176.5	-177.1	0	121.2
174	I	27.7	Very low	27.9	Very low	165 Å²	165	157.3 Å²	157.3	85%	0.846	80%	0.796	S	S	*	*				-150.3	84.8	124.3	-58	-172.3	0	0	0	106.1
175	T	25.8	Very low	27.9	Very low	105 Å²	105	155 Å²	155	64%	0.644	78%	0.779	S	S	*	*				22.8	106.3	108.5	55.2	0	0	0	0	115.6
176	D	28.2	Very low	28.1	Very low	144 Å²	144	157.4 Å²	157.4	77%	0.77	79%	0.787	S	S	*	*				-166.7	120.6	102.2	-82.1	-21.2	0	0	0	111.9
177	E	25.5	Very low	28.1	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	77%	0.774	S	S	*	*			trans	33	103.9	142.2	-58.7	-176.4	157.9	0	0	118.8
178	V	25.6	Very low	28.3	Very low	125 Å²	125	151.5 Å²	151.5	76%	0.758	77%	0.769	S	S	*	*				-179.9	115.8	129	161.3	0	0	0	0	109
179	N	25.2	Very low	28.5	Very low	153 Å²	153	147.7 Å²	147.7	82%	0.818	76%	0.758	S	S	*	*			trans	55.1	81.5	154.9	-67	-29.5	0	0	0	119.7
180	V	28	Very low	28.9	Very low	118 Å²	118	148.7 Å²	148.7	72%	0.715	75%	0.754	S	S	*	*			trans	-123.2	81.8	151.5	178.5	0	0	0	0	109.7	L182	V180-L182 VanDerWaalsContact C-N 3.28Å; V180-L182 HydrophobicContact CG1-CB 3.7Å; V180-L182 HydrophobicContact CG1-CD1 3.55Å; V180-L182 HydrophobicContact CG1-CG 4.11Å
181	K	26.3	Very low	29.3	Very low	214 Å²	214	147 Å²	147	93%	0.93	75%	0.75	S	S	*	*			trans	-90.5	71.9	149.5	-85	-176.4	176.3	177.7	0	107.2	Y183	K181-Y183 PolarHBondContact O-N 3.34Å
182	L	28.8	Very low	30.2	Very low	134 Å²	134	144 Å²	144	70%	0.702	73%	0.734	S	S	*	*			trans	-79.1	103.8	169.2	-108.4	139.8	0	0	0	108.7	V180	V180-L182 VanDerWaalsContact C-N 3.28Å; V180-L182 HydrophobicContact CG1-CB 3.7Å; V180-L182 HydrophobicContact CG1-CD1 3.55Å; V180-L182 HydrophobicContact CG1-CG 4.11Å
183	Y	29.8	Very low	30.8	Very low	182 Å²	182	146 Å²	146	71%	0.714	73%	0.728	S	S	*	*			trans	47	80.4	136.2	-79.6	-90	0	0	0	118	K181	K181-Y183 PolarHBondContact O-N 3.34Å
184	N	25.9	Very low	31.7	Very low	172 Å²	172	142.7 Å²	142.7	92%	0.92	72%	0.719	S	S	*	*			trans	-101.6	68.3	145.2	-92.5	-18	0	0	0	109
185	E	30.9	Very low	32.7	Very low	121 Å²	121	141.8 Å²	141.8	57%	0.565	71%	0.709	S	S	*	*			trans	-138.3	71.3	169.7	-76.5	-172.3	172.1	0	0	109.9
186	K	30.2	Very low	33.5	Very low	219 Å²	219	138.9 Å²	138.9	95%	0.952	69%	0.689	S	S	*	*			trans	-100	17	171.4	-85.4	-173.4	176.2	178.8	0	113.4
187	S	32.8	Very low	34.4	Very low	91 Å²	91	136 Å²	136	64%	0.636	67%	0.672	S	S	*	*	S	Bend	trans	-122.8	-2.2	-175	60.8	0	0	0	0	116.3
188	Y	30	Very low	35.6	Very low	173 Å²	173	130.5 Å²	130.5	68%	0.678	65%	0.654	S	S	*	*	S	Bend	trans	-116.2	-4.6	-175.2	-69.8	-81.4	0	0	0	115.4
189	L	32.9	Very low	36.5	Very low	127 Å²	127	128.5 Å²	128.5	67%	0.665	64%	0.638	S	S	*	*	S	Bend	trans	-94.6	-6.4	-176.1	-83.7	143.4	0	0	0	115.2
190	N	36.1	Very low	37.6	Very low	134 Å²	134	123.7 Å²	123.7	72%	0.717	61%	0.612	S	S	*	*	H	α-helix	trans	-83.6	-29.2	-170.9	-126	17	0	0	0	113.7
191	T	37.9	Very low	38.5	Very low	104 Å²	104	119.6 Å²	119.6	64%	0.638	59%	0.594	S	S	*	*	H	α-helix	trans	-80.3	-29.8	179.7	29.3	0	0	0	0	113.6
192	D	47.1	Very low	39.4	Very low	81 Å²	81	115.6 Å²	115.6	43%	0.433	58%	0.578	S	S	.	*	H	α-helix	trans	-77.3	-34.2	176.7	-77.8	-25.4	0	0	0	111.7	D194 K195 I196	D192-D194 PolarHBondContact O-N 3.49Å; D192-K195 PolarHBondContact O-N 2.81Å; D192-I196 HydrophobicContact CB-CD1 4.13Å; D192-I196 WeakPolarHBondContact O-CB 3.26Å; D192-I196 VanDerWaalsContact O-CD1 3.3Å; D192-I196 WeakPolarHBondContact O-CD1 3.32Å; D192-I196 WeakPolarHBondContact O-CG1 3.46Å; D192-I196 PolarHBondContact O-N 3.38Å
193	Y	43.4	Very low	40.4	Very low	139 Å²	139	111.2 Å²	111.2	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-59.5	-45.8	177.6	-171.5	-94	0	0	0	112.7	I196 M197	Y193-I196 PolarHBondContact O-N 3.39Å; Y193-M197 HydrophobicContact CD1-CG 4.09Å; Y193-M197 HydrophobicContact CE1-CE 4.12Å; Y193-M197 HydrophobicContact CE1-CG 3.81Å; Y193-M197 HydrophobicContact CE2-CE 3.73Å; Y193-M197 VanDerWaalsContact CZ-CE 3.44Å; Y193-M197 WeakPolarHBondContact O-CB 3.4Å; Y193-M197 VanDerWaalsContact O-CG 3.3Å; Y193-M197 WeakPolarHBondContact O-CG 3.5Å; Y193-M197 PolarHBondContact O-N 3.47Å; Y193-M197 VanDerWaalsContact OH-CE 3.26Å; Y193-M197 WeakPolarHBondContact OH-CE 3.33Å
194	D	47.2	Very low	41.4	Very low	114 Å²	114	110.4 Å²	110.4	61%	0.61	56%	0.555	S	S	*	*	H	α-helix	trans	-69.6	-38.6	-179.5	-74.1	-24.1	0	0	0	112.6	D192 S198	D192-D194 PolarHBondContact O-N 3.49Å; D194-S198 WeakPolarHBondContact O-CB 3.29Å; D194-S198 PolarHBondContact O-N 2.85Å
195	K	48.6	Very low	43	Very low	146 Å²	146	110.3 Å²	110.3	64%	0.635	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-40.5	174.5	-84.4	-177.6	176.3	179.8	0	112.1	D192 S198 L199	D192-K195 PolarHBondContact O-N 2.81Å; K195-S198 WeakPolarHBondContact O-CB 3.19Å; K195-S198 PolarHBondContact O-N 3.44Å; K195-L199 PolarHBondContact O-N 2.89Å
196	I	43.4	Very low	45.1	Very low	44 Å²	44	106.8 Å²	106.8	23%	0.226	53%	0.534	C	S	.	.	H	α-helix	trans	-70.1	-41.4	178.2	-71.5	167.4	0	0	0	110.8	D192 Y193 S198 L199 I200 Y215	D192-I196 HydrophobicContact CB-CD1 4.13Å; D192-I196 WeakPolarHBondContact O-CB 3.26Å; D192-I196 VanDerWaalsContact O-CD1 3.3Å; D192-I196 WeakPolarHBondContact O-CD1 3.32Å; D192-I196 WeakPolarHBondContact O-CG1 3.46Å; D192-I196 PolarHBondContact O-N 3.38Å; Y193-I196 PolarHBondContact O-N 3.39Å; I196-S198 VanDerWaalsContact C-N 3.25Å; I196-S198 PolarHBondContact O-N 2.95Å; I196-L199 CarbonylContact O-C 3.48Å; I196-L199 WeakPolarHBondContact O-CA 3.44Å; I196-L199 WeakPolarHBondContact O-CB 3.32Å; I196-L199 PolarHBondContact O-N 3.36Å; I196-I200 HydrophobicContact CG2-CD1 3.87Å; I196-I200 HydrophobicContact CG2-CG1 4.36Å; I196-I200 WeakPolarHBondContact O-CG1 3.06Å; I196-I200 PolarHBondContact O-N 3.23Å; I196-Y215 HydrophobicContact CB-CE2 4.44Å; I196-Y215 HydrophobicContact CD1-CE2 4.14Å; I196-Y215 HydrophobicContact CG1-CE2 4.28Å; I196-Y215 HydrophobicContact CG2-CD2 4.3Å; I196-Y215 HydrophobicContact CG2-CE1 4.45Å; I196-Y215 HydrophobicContact CG2-CE2 3.35Å; I196-Y215 VanDerWaalsContact CG2-CZ 3.46Å; I196-Y215 WeakPolarHBondContact CG2-OH 2.95Å
197	M	47.3	Very low	47.6	Very low	85 Å²	85	99.9 Å²	99.9	42%	0.419	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-31.9	174.3	-77.1	-62	178	0	0	112.1	Y193 I200 G201	Y193-M197 HydrophobicContact CD1-CG 4.09Å; Y193-M197 HydrophobicContact CE1-CE 4.12Å; Y193-M197 HydrophobicContact CE1-CG 3.81Å; Y193-M197 HydrophobicContact CE2-CE 3.73Å; Y193-M197 VanDerWaalsContact CZ-CE 3.44Å; Y193-M197 WeakPolarHBondContact O-CB 3.4Å; Y193-M197 VanDerWaalsContact O-CG 3.3Å; Y193-M197 WeakPolarHBondContact O-CG 3.5Å; Y193-M197 PolarHBondContact O-N 3.47Å; Y193-M197 VanDerWaalsContact OH-CE 3.26Å; Y193-M197 WeakPolarHBondContact OH-CE 3.33Å; M197-I200 HydrophobicContact SD-CD1 4.13Å; M197-G201 PolarHBondContact O-N 3.29Å
198	S	50.2	Low	50.2	Low	65 Å²	65	96.8 Å²	96.8	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-41	168	172.1	0	0	0	0	112.1	D194 K195 I196 G201 Q202	D194-S198 WeakPolarHBondContact O-CB 3.29Å; D194-S198 PolarHBondContact O-N 2.85Å; K195-S198 WeakPolarHBondContact O-CB 3.19Å; K195-S198 PolarHBondContact O-N 3.44Å; I196-S198 VanDerWaalsContact C-N 3.25Å; I196-S198 PolarHBondContact O-N 2.95Å; S198-G201 PolarHBondContact O-N 3.27Å; S198-Q202 WeakPolarHBondContact O-CG 3.05Å; S198-Q202 PolarHBondContact O-N 2.95Å
199	L	44.7	Very low	52.9	Low	83 Å²	83	88.7 Å²	88.7	44%	0.435	46%	0.457	S	S	.	.	H	α-helix	trans	-68.7	-42.7	177	-134.6	85.7	0	0	0	112.1	K195 I196 G201 Q202 L203	K195-L199 PolarHBondContact O-N 2.89Å; I196-L199 CarbonylContact O-C 3.48Å; I196-L199 WeakPolarHBondContact O-CA 3.44Å; I196-L199 WeakPolarHBondContact O-CB 3.32Å; I196-L199 PolarHBondContact O-N 3.36Å; L199-G201 VanDerWaalsContact C-N 3.26Å; L199-G201 PolarHBondContact O-N 3.47Å; L199-Q202 WeakPolarHBondContact O-CA 3.46Å; L199-Q202 WeakPolarHBondContact O-CB 3.27Å; L199-Q202 PolarHBondContact O-N 3.1Å; L199-L203 PolarHBondContact O-N 3.01Å; L199-L203 VanDerWaalsContact O-N 3.07Å
200	I	48	Very low	55.5	Low	52 Å²	52	84.3 Å²	84.3	27%	0.267	43%	0.434	S	S	.	.	H	α-helix	trans	-62.1	-37.3	172	-65.8	169.6	0	0	0	110.6	I196 M197 Q202 L203	I196-I200 HydrophobicContact CG2-CD1 3.87Å; I196-I200 HydrophobicContact CG2-CG1 4.36Å; I196-I200 WeakPolarHBondContact O-CG1 3.06Å; I196-I200 PolarHBondContact O-N 3.23Å; M197-I200 HydrophobicContact SD-CD1 4.13Å; I200-Q202 PolarHBondContact O-N 3.37Å; I200-L203 WeakPolarHBondContact O-CB 3.34Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-L203 VanDerWaalsContact O-N 3.11Å
201	G	47.6	Very low	57.7	Low	32 Å²	32	78.6 Å²	78.6	33%	0.33	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.2	171.8	0	0	0	0	0	114.4	M197 S198 L199 K204	M197-G201 PolarHBondContact O-N 3.29Å; S198-G201 PolarHBondContact O-N 3.27Å; L199-G201 VanDerWaalsContact C-N 3.26Å; L199-G201 PolarHBondContact O-N 3.47Å; G201-K204 WeakPolarHBondContact O-CD 3.33Å; G201-K204 WeakPolarHBondContact O-CE 3.27Å; G201-K204 WeakPolarHBondContact O-CG 3.23Å
202	Q	45.4	Very low	59.9	Low	129 Å²	129	75.6 Å²	75.6	60%	0.603	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-25.1	172	-67.3	172.3	13.4	0	0	112.3	S198 L199 I200 K204	S198-Q202 WeakPolarHBondContact O-CG 3.05Å; S198-Q202 PolarHBondContact O-N 2.95Å; L199-Q202 WeakPolarHBondContact O-CA 3.46Å; L199-Q202 WeakPolarHBondContact O-CB 3.27Å; L199-Q202 PolarHBondContact O-N 3.1Å; I200-Q202 PolarHBondContact O-N 3.37Å; Q202-K204 PolarHBondContact O-N 2.89Å
203	L	49.7	Very low	62	Low	43 Å²	43	71.9 Å²	71.9	23%	0.225	36%	0.363	C	S	.	.			trans	-73.1	23.3	171.2	-66.3	171.3	0	0	0	113.5	F43 L199 I200 H205 D206	F43-L203 HydrophobicContact CB-CD2 4.04Å; F43-L203 HydrophobicContact CD1-CD2 3.84Å; F43-L203 HydrophobicContact CG-CD2 4.17Å; L199-L203 PolarHBondContact O-N 3.01Å; L199-L203 VanDerWaalsContact O-N 3.07Å; I200-L203 WeakPolarHBondContact O-CB 3.34Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-L203 VanDerWaalsContact O-N 3.11Å; L203-H205 PolarHBondContact O-N 3.46Å; L203-D206 PolarHBondContact O-N 2.97Å; L203-D206 VanDerWaalsContact O-N 3.08Å
204	K	49.4	Very low	64	Low	164 Å²	164	65.4 Å²	65.4	71%	0.713	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-0.2	-163	-111.8	174.9	-170.8	176.7	0	116.8	G201 Q202	G201-K204 WeakPolarHBondContact O-CD 3.33Å; G201-K204 WeakPolarHBondContact O-CE 3.27Å; G201-K204 WeakPolarHBondContact O-CG 3.23Å; Q202-K204 PolarHBondContact O-N 2.89Å
205	H	61	Low	65.7	Low	170 Å²	170	62.6 Å²	62.6	79%	0.787	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	10.1	-178.9	-59.7	-53.5	0	0	0	115.2	L203 T207	L203-H205 PolarHBondContact O-N 3.46Å; H205-T207 PolarHBondContact O-N 3.45Å
206	D	73.8	Confident	67.5	Low	47 Å²	47	57.4 Å²	57.4	25%	0.251	30%	0.297	S	S	.	.			trans	-76.1	89.7	172.6	-178.9	23.1	0	0	0	111.6	L203 T208 G209 I210 S211	L203-D206 PolarHBondContact O-N 2.97Å; L203-D206 VanDerWaalsContact O-N 3.08Å; D206-T208 VanDerWaalsContact C-N 3.26Å; D206-T208 WeakPolarHBondContact OD1-CA 3.48Å; D206-T208 WeakPolarHBondContact OD1-CB 3.47Å; D206-T208 PolarHBondContact OD1-N 3.29Å; D206-T208 PolarHBondContact OD1-OG1 2.85Å; D206-G209 PolarHBondContact OD1-N 2.85Å; D206-G209 VanDerWaalsContact OD1-N 3.09Å; D206-G209 VanDerWaalsContact OD2-CA 3.24Å; D206-G209 WeakPolarHBondContact OD2-CA 3.42Å; D206-G209 PolarHBondContact OD2-N 3.05Å; D206-G209 VanDerWaalsContact OD2-N 3.17Å; D206-I210 PolarHBondContact OD2-N 3.04Å; D206-S211 VanDerWaalsContact OD2-CB 3.28Å; D206-S211 WeakPolarHBondContact OD2-CB 3.39Å; D206-S211 PolarHBondContact OD2-N 2.9Å; D206-S211 PolarHBondContact OD2-OG 3.4Å
207	T	83.1	Confident	69.5	Low	74 Å²	74	55.3 Å²	55.3	45%	0.454	29%	0.286	S	S	.	.			trans	-77.6	-13.2	173	55.9	0	0	0	0	113	H205 T260	H205-T207 PolarHBondContact O-N 3.45Å; T207-T260 WeakPolarHBondContact CB-OG1 3.5Å; T207-T260 PolarHBondContact O-N 3.19Å; T207-T260 PolarHBondContact O-OG1 2.91Å
208	T	87.1	Confident	71	Confident	27 Å²	27	52 Å²	52	17%	0.166	27%	0.272	C	S	.	.	S	Bend	trans	-87.3	-17.6	-177.8	73.7	0	0	0	0	112.4	D206 I210 N259 T261	D206-T208 VanDerWaalsContact C-N 3.26Å; D206-T208 WeakPolarHBondContact OD1-CA 3.48Å; D206-T208 WeakPolarHBondContact OD1-CB 3.47Å; D206-T208 PolarHBondContact OD1-N 3.29Å; D206-T208 PolarHBondContact OD1-OG1 2.85Å; T208-I210 PolarHBondContact O-N 2.91Å; T208-I210 WeakPolarHBondContact OG1-CB 3.41Å; T208-I210 VanDerWaalsContact OG1-CD1 3.31Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.32Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.49Å; T208-I210 PolarHBondContact OG1-N 3.03Å; T208-N259 PolarHBondContact O-ND2 3.17Å; T208-T261 HydrophobicContact CG2-CG2 4.25Å
209	G	87.8	Confident	72.6	Confident	3 Å²	3	53.6 Å²	53.6	3%	0.031	28%	0.275	C	S	.	.	S	Bend	trans	70.6	7.5	-175.8	0	0	0	0	0	114.1	D206 S211 H212 Y213 A255	D206-G209 PolarHBondContact OD1-N 2.85Å; D206-G209 VanDerWaalsContact OD1-N 3.09Å; D206-G209 VanDerWaalsContact OD2-CA 3.24Å; D206-G209 WeakPolarHBondContact OD2-CA 3.42Å; D206-G209 PolarHBondContact OD2-N 3.05Å; D206-G209 VanDerWaalsContact OD2-N 3.17Å; G209-S211 VanDerWaalsContact C-N 3.34Å; G209-S211 PolarHBondContact O-N 2.69Å; G209-H212 WeakPolarHBondContact O-CB 3.1Å; G209-H212 PolarHBondContact O-N 3.08Å; G209-Y213 PolarHBondContact O-N 3.13Å; G209-A255 WeakPolarHBondContact O-CB 3.33Å
210	I	86.6	Confident	74.5	Confident	34 Å²	34	52.1 Å²	52.1	17%	0.174	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-45.8	175.5	-71.1	169.3	0	0	0	110.5	D206 T208 H212 Y213 L214 I229 L232	D206-I210 PolarHBondContact OD2-N 3.04Å; T208-I210 PolarHBondContact O-N 2.91Å; T208-I210 WeakPolarHBondContact OG1-CB 3.41Å; T208-I210 VanDerWaalsContact OG1-CD1 3.31Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.32Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.49Å; T208-I210 PolarHBondContact OG1-N 3.03Å; I210-H212 PolarHBondContact O-N 2.91Å; I210-Y213 WeakPolarHBondContact O-CB 3.17Å; I210-Y213 PolarHBondContact O-N 2.81Å; I210-L214 HydrophobicContact CG2-CD1 3.99Å; I210-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 WeakPolarHBondContact O-CG 3.41Å; I210-L214 PolarHBondContact O-N 2.8Å; I210-I229 WeakPolarHBondContact CD1-O 3.34Å; I210-I229 HydrophobicContact CG2-CG2 3.95Å; I210-L232 HydrophobicContact CD1-CB 4.34Å; I210-L232 HydrophobicContact CG1-CB 3.65Å; I210-L232 HydrophobicContact CG1-CD1 3.99Å; I210-L232 HydrophobicContact CG1-CG 4.49Å
211	S	82	Confident	76.3	Confident	14 Å²	14	60.7 Å²	60.7	10%	0.098	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-37.1	179.1	-51.9	0	0	0	0	111.1	D206 G209 Y215	D206-S211 VanDerWaalsContact OD2-CB 3.28Å; D206-S211 WeakPolarHBondContact OD2-CB 3.39Å; D206-S211 PolarHBondContact OD2-N 2.9Å; D206-S211 PolarHBondContact OD2-OG 3.4Å; G209-S211 VanDerWaalsContact C-N 3.34Å; G209-S211 PolarHBondContact O-N 2.69Å; S211-Y215 VanDerWaalsContact O-CB 3.26Å; S211-Y215 WeakPolarHBondContact O-CB 3.26Å; S211-Y215 PolarHBondContact O-N 2.95Å
212	H	85.5	Confident	77.9	Confident	41 Å²	41	60.7 Å²	60.7	19%	0.19	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-44.8	174.8	-153.5	88.4	0	0	0	111.5	G209 I210 Y215 F216 E254	G209-H212 WeakPolarHBondContact O-CB 3.1Å; G209-H212 PolarHBondContact O-N 3.08Å; I210-H212 PolarHBondContact O-N 2.91Å; H212-Y215 PolarHBondContact O-N 3.33Å; H212-F216 AromaticContact CD2-CD2 3.54Å; H212-F216 AromaticContact CD2-CE2 3.51Å; H212-F216 AromaticContact CE1-CE2 3.69Å; H212-F216 AromaticContact NE2-CD2 3.72Å; H212-F216 AromaticContact NE2-CE2 3.14Å; H212-F216 WeakPolarHBondContact NE2-CE2 3.26Å; H212-F216 WeakPolarHBondContact O-CD2 3.48Å; H212-F216 PolarHBondContact O-N 3.02Å; H212-E254 VanDerWaalsContact CD2-C 3.49Å; H212-E254 PolarHBondContact CD2-O 2.94Å; H212-E254 PolarHBondContact NE2-O 2.68Å
213	Y	89.8	Confident	79.5	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-50.7	175.5	-179.7	-118.5	0	0	0	111.8	G209 I210 Y215 F216 C217 P224 L225 V228 I229 L232 L251 I252 A255	G209-Y213 PolarHBondContact O-N 3.13Å; I210-Y213 WeakPolarHBondContact O-CB 3.17Å; I210-Y213 PolarHBondContact O-N 2.81Å; Y213-Y215 VanDerWaalsContact C-N 3.33Å; Y213-Y215 PolarHBondContact O-N 3.38Å; Y213-F216 PolarHBondContact O-N 2.99Å; Y213-C217 VanDerWaalsContact CE2-SG 3.55Å; Y213-C217 VanDerWaalsContact CZ-SG 3.51Å; Y213-C217 WeakPolarHBondContact O-CB 3.21Å; Y213-C217 PolarHBondContact O-N 3.17Å; Y213-C217 PolarHBondContact O-SG 3.22Å; Y213-P224 HydrophobicContact CD1-CB 4.3Å; Y213-P224 HydrophobicContact CE1-CB 3.65Å; Y213-L225 WeakPolarHBondContact OH-CB 3.41Å; Y213-L225 PolarHBondContact OH-N 3Å; Y213-V228 HydrophobicContact CD1-CB 4.47Å; Y213-V228 HydrophobicContact CD1-CG1 3.89Å; Y213-V228 HydrophobicContact CD2-CG1 4.14Å; Y213-V228 HydrophobicContact CE1-CB 3.87Å; Y213-V228 HydrophobicContact CE1-CG1 3.71Å; Y213-V228 HydrophobicContact CE2-CG1 4Å; Y213-V228 HydrophobicContact CG-CG1 4.1Å; Y213-I229 HydrophobicContact CD1-CG1 3.97Å; Y213-I229 HydrophobicContact CE1-CG1 4.02Å; Y213-L232 HydrophobicContact CD1-CD1 4.41Å; Y213-L232 HydrophobicContact CG-CD1 4.18Å; Y213-L251 HydrophobicContact CD2-CB 4.35Å; Y213-L251 HydrophobicContact CE2-CB 4.01Å; Y213-I252 HydrophobicContact CD2-CG1 4.5Å; Y213-I252 HydrophobicContact CE2-CG1 3.81Å; Y213-A255 HydrophobicContact CD2-CB 4.45Å
214	L	85.5	Confident	81	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-43.1	178.7	-69.7	176.3	0	0	0	111.4	W26 M42 F43 I210 F216 C217 A218 P224 I229	W26-L214 HydrophobicContact CH2-CB 4.35Å; W26-L214 WeakPolarHBondContact CH2-O 3.42Å; M42-L214 HydrophobicContact CE-CD1 4.3Å; F43-L214 HydrophobicContact CE1-CB 4.1Å; F43-L214 HydrophobicContact CE1-CD1 4.34Å; F43-L214 HydrophobicContact CZ-CB 4.18Å; I210-L214 HydrophobicContact CG2-CD1 3.99Å; I210-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 WeakPolarHBondContact O-CG 3.41Å; I210-L214 PolarHBondContact O-N 2.8Å; L214-F216 PolarHBondContact O-N 2.53Å; L214-C217 PolarHBondContact O-N 2.85Å; L214-A218 WeakPolarHBondContact O-CB 3.31Å; L214-A218 PolarHBondContact O-N 3.12Å; L214-P224 HydrophobicContact CD2-CB 3.82Å; L214-P224 HydrophobicContact CD2-CG 3.8Å; L214-I229 HydrophobicContact CD2-CD1 3.79Å; L214-I229 HydrophobicContact CD2-CG1 4.2Å
215	Y	83	Confident	82.6	Confident	54 Å²	54	50.8 Å²	50.8	21%	0.212	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-48.7	175.9	169.3	-98.9	0	0	0	112	I196 S211 H212 Y213 C217 A218 L219	I196-Y215 HydrophobicContact CB-CE2 4.44Å; I196-Y215 HydrophobicContact CD1-CE2 4.14Å; I196-Y215 HydrophobicContact CG1-CE2 4.28Å; I196-Y215 HydrophobicContact CG2-CD2 4.3Å; I196-Y215 HydrophobicContact CG2-CE1 4.45Å; I196-Y215 HydrophobicContact CG2-CE2 3.35Å; I196-Y215 VanDerWaalsContact CG2-CZ 3.46Å; I196-Y215 WeakPolarHBondContact CG2-OH 2.95Å; S211-Y215 VanDerWaalsContact O-CB 3.26Å; S211-Y215 WeakPolarHBondContact O-CB 3.26Å; S211-Y215 PolarHBondContact O-N 2.95Å; H212-Y215 PolarHBondContact O-N 3.33Å; Y213-Y215 VanDerWaalsContact C-N 3.33Å; Y213-Y215 PolarHBondContact O-N 3.38Å; Y215-C217 PolarHBondContact O-N 2.58Å; Y215-A218 WeakPolarHBondContact O-CB 3.05Å; Y215-A218 PolarHBondContact O-N 3.17Å; Y215-L219 HydrophobicContact CE1-CD2 4.37Å; Y215-L219 WeakPolarHBondContact O-CB 3.4Å; Y215-L219 PolarHBondContact O-N 2.75Å
216	F	86	Confident	83.5	Confident	38 Å²	38	47.8 Å²	47.8	17%	0.167	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-35.1	178.9	-87.4	-79.4	0	0	0	112.4	H212 Y213 L214 L219 N220 L251 E254	H212-F216 AromaticContact CD2-CD2 3.54Å; H212-F216 AromaticContact CD2-CE2 3.51Å; H212-F216 AromaticContact CE1-CE2 3.69Å; H212-F216 AromaticContact NE2-CD2 3.72Å; H212-F216 AromaticContact NE2-CE2 3.14Å; H212-F216 WeakPolarHBondContact NE2-CE2 3.26Å; H212-F216 WeakPolarHBondContact O-CD2 3.48Å; H212-F216 PolarHBondContact O-N 3.02Å; Y213-F216 PolarHBondContact O-N 2.99Å; L214-F216 PolarHBondContact O-N 2.53Å; F216-L219 HydrophobicContact CD1-CD2 4.38Å; F216-L219 HydrophobicContact CE1-CD2 4.39Å; F216-L219 PolarHBondContact O-N 3.5Å; F216-N220 WeakPolarHBondContact O-CB 3.47Å; F216-N220 PolarHBondContact O-N 3.09Å; F216-N220 PolarHBondContact O-ND2 3.39Å; F216-L251 HydrophobicContact CB-CD2 3.78Å; F216-L251 WeakPolarHBondContact O-CD2 3.42Å; F216-E254 HydrophobicContact CD1-CG 4.14Å; F216-E254 HydrophobicContact CD2-CB 3.85Å; F216-E254 HydrophobicContact CD2-CG 4.3Å; F216-E254 HydrophobicContact CE1-CG 4.08Å; F216-E254 HydrophobicContact CE2-CB 4.07Å; F216-E254 HydrophobicContact CE2-CG 4.31Å; F216-E254 HydrophobicContact CG-CB 4.11Å; F216-E254 HydrophobicContact CG-CG 4.24Å; F216-E254 HydrophobicContact CZ-CB 4.44Å; F216-E254 HydrophobicContact CZ-CG 4.17Å
217	C	85.9	Confident	84.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-45.2	171.7	-68.4	0	0	0	0	111.3	W26 Y213 L214 Y215 N220 R221 V222 P224	W26-C217 HydrophobicContact CZ2-CB 4.39Å; Y213-C217 VanDerWaalsContact CE2-SG 3.55Å; Y213-C217 VanDerWaalsContact CZ-SG 3.51Å; Y213-C217 WeakPolarHBondContact O-CB 3.21Å; Y213-C217 PolarHBondContact O-N 3.17Å; Y213-C217 PolarHBondContact O-SG 3.22Å; L214-C217 PolarHBondContact O-N 2.85Å; Y215-C217 PolarHBondContact O-N 2.58Å; C217-N220 CarbonylContact O-C 3.49Å; C217-N220 PolarHBondContact O-N 3.11Å; C217-R221 PolarHBondContact O-N 2.95Å; C217-V222 WeakPolarHBondContact CB-O 3.37Å; C217-V222 PolarHBondContact O-N 3.42Å; C217-P224 HydrophobicContact CB-CB 4.07Å
218	A	79.9	Confident	84.3	Confident	14 Å²	14	45.3 Å²	45.3	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-48	177.5	0	0	0	0	0	111.4	Y24 W26 L214 Y215 N220 R221	Y24-A218 HydrophobicContact CD1-CB 3.88Å; Y24-A218 HydrophobicContact CE1-CB 3.99Å; W26-A218 HydrophobicContact CH2-CB 3.75Å; W26-A218 HydrophobicContact CZ2-CB 3.49Å; W26-A218 VanDerWaalsContact CZ2-CB 3.49Å; L214-A218 WeakPolarHBondContact O-CB 3.31Å; L214-A218 PolarHBondContact O-N 3.12Å; Y215-A218 WeakPolarHBondContact O-CB 3.05Å; Y215-A218 PolarHBondContact O-N 3.17Å; A218-N220 VanDerWaalsContact C-N 3.26Å; A218-N220 PolarHBondContact O-N 3.05Å; A218-R221 PolarHBondContact O-N 3.33Å
219	L	83.6	Confident	84.2	Confident	99 Å²	99	44.2 Å²	44.2	52%	0.518	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-36.7	180	-174.3	67.6	0	0	0	112.3	Y215 F216	Y215-L219 HydrophobicContact CE1-CD2 4.37Å; Y215-L219 WeakPolarHBondContact O-CB 3.4Å; Y215-L219 PolarHBondContact O-N 2.75Å; F216-L219 HydrophobicContact CD1-CD2 4.38Å; F216-L219 HydrophobicContact CE1-CD2 4.39Å; F216-L219 PolarHBondContact O-N 3.5Å
220	N	84.3	Confident	84.1	Confident	52 Å²	52	48 Å²	48	28%	0.278	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.4	179.9	-67	-94.1	0	0	0	113.1	F216 C217 A218 V222 L247 L251	F216-N220 WeakPolarHBondContact O-CB 3.47Å; F216-N220 PolarHBondContact O-N 3.09Å; F216-N220 PolarHBondContact O-ND2 3.39Å; C217-N220 CarbonylContact O-C 3.49Å; C217-N220 PolarHBondContact O-N 3.11Å; A218-N220 VanDerWaalsContact C-N 3.26Å; A218-N220 PolarHBondContact O-N 3.05Å; N220-V222 HydrophobicContact CB-CG2 4.12Å; N220-V222 PolarHBondContact O-N 2.8Å; N220-L247 HydrophobicContact CB-CD1 4.28Å; N220-L251 HydrophobicContact CB-CD2 4.1Å; N220-L251 WeakPolarHBondContact ND2-CD2 3.32Å
221	R	85.2	Confident	84.3	Confident	233 Å²	233	47 Å²	47	88%	0.879	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.4	-177.6	-53.9	-178.7	-179.1	-168.7	-1.6	113.2	C217 A218	C217-R221 PolarHBondContact O-N 2.95Å; A218-R221 PolarHBondContact O-N 3.33Å
222	V	80.3	Confident	84.7	Confident	31 Å²	31	46.3 Å²	46.3	19%	0.188	22%	0.217	C	C	.	.			trans	-106.4	139.6	177.8	-179.7	0	0	0	0	109.2	C217 N220 L247 L251	C217-V222 WeakPolarHBondContact CB-O 3.37Å; C217-V222 PolarHBondContact O-N 3.42Å; N220-V222 HydrophobicContact CB-CG2 4.12Å; N220-V222 PolarHBondContact O-N 2.8Å; V222-L247 HydrophobicContact CG2-CD2 3.47Å; V222-L247 VanDerWaalsContact CG2-CD2 3.47Å; V222-L247 HydrophobicContact CG2-CG 4.14Å; V222-L251 HydrophobicContact CB-CD1 3.93Å; V222-L251 HydrophobicContact CG1-CD1 4.11Å; V222-L251 HydrophobicContact CG2-CD1 4.11Å
223	S	80.2	Confident	84.9	Confident	76 Å²	76	46.3 Å²	46.3	53%	0.531	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-69.9	124	172.4	-172.5	0	0	0	0	109.7
224	P	80.1	Confident	85	Confident	10 Å²	10	51.5 Å²	51.5	7%	0.065	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-67.6	141	-178	29.5	-35.6	0	0	0	110.8	I55 Y213 L214 C217 R226 I229	I55-P224 WeakPolarHBondContact CG2-O 3.32Å; Y213-P224 HydrophobicContact CD1-CB 4.3Å; Y213-P224 HydrophobicContact CE1-CB 3.65Å; L214-P224 HydrophobicContact CD2-CB 3.82Å; L214-P224 HydrophobicContact CD2-CG 3.8Å; C217-P224 HydrophobicContact CB-CB 4.07Å; P224-R226 PolarHBondContact O-N 3.28Å; P224-I229 HydrophobicContact CB-CD1 3.94Å; P224-I229 HydrophobicContact CG-CD1 4.14Å
225	L	84	Confident	85.5	Confident	42 Å²	42	57 Å²	57	22%	0.22	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-73.4	117.6	177.7	-64.9	176.8	0	0	0	110	Y213 Y227 V228 I229 I252	Y213-L225 WeakPolarHBondContact OH-CB 3.41Å; Y213-L225 PolarHBondContact OH-N 3Å; L225-Y227 PolarHBondContact O-N 3.25Å; L225-Y227 VanDerWaalsContact O-N 3.15Å; L225-V228 HydrophobicContact CB-CB 4.18Å; L225-V228 HydrophobicContact CB-CG2 3.79Å; L225-V228 HydrophobicContact CD1-CG2 4.12Å; L225-V228 WeakPolarHBondContact O-CB 3.38Å; L225-V228 PolarHBondContact O-N 3.36Å; L225-I229 PolarHBondContact O-N 2.86Å; L225-I252 HydrophobicContact CD1-CD1 4.49Å
226	R	79.5	Confident	86.2	Confident	107 Å²	107	60 Å²	60	40%	0.404	29%	0.29	S	S	.	.	H	α-helix	trans	-49.8	-43.6	177.8	-173	173.2	178.9	168.6	5.4	112.6	I55 P224 V228 I229 Q230	I55-R226 HydrophobicContact CB-CB 3.94Å; I55-R226 HydrophobicContact CD1-CB 3.86Å; I55-R226 HydrophobicContact CD1-CG 4.18Å; I55-R226 HydrophobicContact CG1-CB 4.48Å; I55-R226 HydrophobicContact CG2-CB 3.98Å; P224-R226 PolarHBondContact O-N 3.28Å; R226-V228 VanDerWaalsContact C-N 3.31Å; R226-V228 PolarHBondContact O-N 3.35Å; R226-I229 PolarHBondContact O-N 3.41Å; R226-Q230 HydrophobicContact CG-CG 4.27Å; R226-Q230 VanDerWaalsContact NE-NE2 3.14Å; R226-Q230 WeakPolarHBondContact O-CB 3.5Å; R226-Q230 VanDerWaalsContact O-CG 3.29Å; R226-Q230 WeakPolarHBondContact O-CG 3.37Å; R226-Q230 PolarHBondContact O-N 3.41Å
227	Y	86.3	Confident	86.7	Confident	69 Å²	69	58.2 Å²	58.2	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-37.7	-179.7	-174.8	-87	0	0	0	112.4	L225 Q230 N231 L237 S238 L239 R242	L225-Y227 PolarHBondContact O-N 3.25Å; L225-Y227 VanDerWaalsContact O-N 3.15Å; Y227-Q230 PolarHBondContact O-N 3.04Å; Y227-N231 WeakPolarHBondContact CD2-ND2 3.36Å; Y227-N231 HydrophobicContact CE1-CB 4.36Å; Y227-N231 WeakPolarHBondContact CE1-ND2 3.45Å; Y227-N231 WeakPolarHBondContact CE2-ND2 3.37Å; Y227-N231 WeakPolarHBondContact O-CB 3.49Å; Y227-N231 PolarHBondContact O-N 2.85Å; Y227-N231 PolarHBondContact O-ND2 3.2Å; Y227-L237 HydrophobicContact CE1-CD1 4.24Å; Y227-S238 WeakPolarHBondContact CE1-O 3.3Å; Y227-S238 PolarHBondContact OH-O 3.32Å; Y227-L239 HydrophobicContact CD1-CD2 3.84Å; Y227-L239 HydrophobicContact CE1-CD2 4.08Å; Y227-R242 VanDerWaalsContact CB-NH1 3.32Å; Y227-R242 VanDerWaalsContact CE2-NH2 3.29Å; Y227-R242 VanDerWaalsContact CG-CZ 3.45Å
228	V	88.3	Confident	87.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-49.1	176.9	174	0	0	0	0	109.2	Y213 L225 R226 Q230 N231 L232 L239 I252	Y213-V228 HydrophobicContact CD1-CB 4.47Å; Y213-V228 HydrophobicContact CD1-CG1 3.89Å; Y213-V228 HydrophobicContact CD2-CG1 4.14Å; Y213-V228 HydrophobicContact CE1-CB 3.87Å; Y213-V228 HydrophobicContact CE1-CG1 3.71Å; Y213-V228 HydrophobicContact CE2-CG1 4Å; Y213-V228 HydrophobicContact CG-CG1 4.1Å; L225-V228 HydrophobicContact CB-CB 4.18Å; L225-V228 HydrophobicContact CB-CG2 3.79Å; L225-V228 HydrophobicContact CD1-CG2 4.12Å; L225-V228 WeakPolarHBondContact O-CB 3.38Å; L225-V228 PolarHBondContact O-N 3.36Å; R226-V228 VanDerWaalsContact C-N 3.31Å; R226-V228 PolarHBondContact O-N 3.35Å; V228-Q230 VanDerWaalsContact C-N 3.33Å; V228-Q230 PolarHBondContact O-N 3.37Å; V228-N231 PolarHBondContact O-N 2.93Å; V228-N231 VanDerWaalsContact O-N 3.15Å; V228-L232 HydrophobicContact CG1-CD1 3.64Å; V228-L232 HydrophobicContact CG1-CD2 4.46Å; V228-L232 HydrophobicContact CG1-CG 3.81Å; V228-L232 WeakPolarHBondContact O-CB 3.45Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.28Å; V228-L232 PolarHBondContact O-N 3.43Å; V228-L239 HydrophobicContact CG2-CD2 3.94Å; V228-I252 HydrophobicContact CG1-CG1 4.31Å; V228-I252 HydrophobicContact CG2-CD1 3.9Å; V228-I252 HydrophobicContact CG2-CG1 4.05Å
229	I	84.8	Confident	87.8	Confident	4 Å²	4	59 Å²	59	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-46.2	178.2	-58.5	161.7	0	0	0	111.4	Y47 I55 I210 Y213 L214 P224 L225 R226 N231	Y47-I229 HydrophobicContact CD2-CG2 3.61Å; Y47-I229 HydrophobicContact CE2-CB 4.39Å; Y47-I229 HydrophobicContact CE2-CD1 4.42Å; Y47-I229 HydrophobicContact CE2-CG2 3.38Å; Y47-I229 HydrophobicContact CG-CG2 4.41Å; I55-I229 HydrophobicContact CD1-CD1 3.86Å; I210-I229 WeakPolarHBondContact CD1-O 3.34Å; I210-I229 HydrophobicContact CG2-CG2 3.95Å; Y213-I229 HydrophobicContact CD1-CG1 3.97Å; Y213-I229 HydrophobicContact CE1-CG1 4.02Å; L214-I229 HydrophobicContact CD2-CD1 3.79Å; L214-I229 HydrophobicContact CD2-CG1 4.2Å; P224-I229 HydrophobicContact CB-CD1 3.94Å; P224-I229 HydrophobicContact CG-CD1 4.14Å; L225-I229 PolarHBondContact O-N 2.86Å; R226-I229 PolarHBondContact O-N 3.41Å; I229-N231 PolarHBondContact O-N 2.99Å
230	Q	84.6	Confident	88.2	Confident	83 Å²	83	58 Å²	58	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-67.4	-17	-178.4	-74.7	178.3	-23.2	0	0	114.7	R226 Y227 V228 K234	R226-Q230 HydrophobicContact CG-CG 4.27Å; R226-Q230 VanDerWaalsContact NE-NE2 3.14Å; R226-Q230 WeakPolarHBondContact O-CB 3.5Å; R226-Q230 VanDerWaalsContact O-CG 3.29Å; R226-Q230 WeakPolarHBondContact O-CG 3.37Å; R226-Q230 PolarHBondContact O-N 3.41Å; Y227-Q230 PolarHBondContact O-N 3.04Å; V228-Q230 VanDerWaalsContact C-N 3.33Å; V228-Q230 PolarHBondContact O-N 3.37Å; Q230-K234 VanDerWaalsContact O-CE 3.24Å; Q230-K234 WeakPolarHBondContact O-CE 3.39Å
231	N	90.9	Very high	88.2	Confident	13 Å²	13	59 Å²	59	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-121.5	-12.1	-173.7	-64.8	-77.7	0	0	0	114.1	Y227 V228 I229 G233 K234 L237 I262	Y227-N231 WeakPolarHBondContact CD2-ND2 3.36Å; Y227-N231 HydrophobicContact CE1-CB 4.36Å; Y227-N231 WeakPolarHBondContact CE1-ND2 3.45Å; Y227-N231 WeakPolarHBondContact CE2-ND2 3.37Å; Y227-N231 WeakPolarHBondContact O-CB 3.49Å; Y227-N231 PolarHBondContact O-N 2.85Å; Y227-N231 PolarHBondContact O-ND2 3.2Å; V228-N231 PolarHBondContact O-N 2.93Å; V228-N231 VanDerWaalsContact O-N 3.15Å; I229-N231 PolarHBondContact O-N 2.99Å; N231-G233 PolarHBondContact O-N 3.29Å; N231-K234 HydrophobicContact CB-CD 4.45Å; N231-K234 WeakPolarHBondContact O-CB 3.22Å; N231-K234 PolarHBondContact O-N 2.74Å; N231-K234 WeakPolarHBondContact OD1-CD 3.41Å; N231-K234 WeakPolarHBondContact OD1-CE 3.28Å; N231-K234 PolarHBondContact OD1-NZ 3Å; N231-L237 HydrophobicContact CB-CD1 3.79Å; N231-I262 VanDerWaalsContact O-CD1 3.27Å; N231-I262 WeakPolarHBondContact O-CD1 3.44Å
232	L	90.9	Very high	88	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-30.6	175	-86.5	173.6	0	0	0	112.8	I210 Y213 V228 K234 L237 A255 L256 N259 T261	I210-L232 HydrophobicContact CD1-CB 4.34Å; I210-L232 HydrophobicContact CG1-CB 3.65Å; I210-L232 HydrophobicContact CG1-CD1 3.99Å; I210-L232 HydrophobicContact CG1-CG 4.49Å; Y213-L232 HydrophobicContact CD1-CD1 4.41Å; Y213-L232 HydrophobicContact CG-CD1 4.18Å; V228-L232 HydrophobicContact CG1-CD1 3.64Å; V228-L232 HydrophobicContact CG1-CD2 4.46Å; V228-L232 HydrophobicContact CG1-CG 3.81Å; V228-L232 WeakPolarHBondContact O-CB 3.45Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.28Å; V228-L232 PolarHBondContact O-N 3.43Å; L232-K234 VanDerWaalsContact C-N 3.29Å; L232-K234 PolarHBondContact O-N 3.37Å; L232-L237 HydrophobicContact CD2-CD2 4.27Å; L232-A255 HydrophobicContact CD1-CB 4.25Å; L232-A255 HydrophobicContact CD2-CB 4.49Å; L232-L256 HydrophobicContact CD2-CD2 3.92Å; L232-N259 PolarHBondContact O-ND2 3.18Å; L232-T261 PolarHBondContact O-OG1 3.26Å
233	G	88.8	Confident	87.8	Confident	41 Å²	41	54.9 Å²	54.9	42%	0.423	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.7	174.4	0	0	0	0	0	115.5	N231	N231-G233 PolarHBondContact O-N 3.29Å
234	K	93.7	Very high	87.8	Confident	111 Å²	111	51.6 Å²	51.6	48%	0.483	26%	0.261	S	S	.	.	S	Bend	trans	-98.7	177.7	-176.8	-60.8	-175.2	-172.7	164.1	0	111.7	Q230 N231 L232 T261 I262	Q230-K234 VanDerWaalsContact O-CE 3.24Å; Q230-K234 WeakPolarHBondContact O-CE 3.39Å; N231-K234 HydrophobicContact CB-CD 4.45Å; N231-K234 WeakPolarHBondContact O-CB 3.22Å; N231-K234 PolarHBondContact O-N 2.74Å; N231-K234 WeakPolarHBondContact OD1-CD 3.41Å; N231-K234 WeakPolarHBondContact OD1-CE 3.28Å; N231-K234 PolarHBondContact OD1-NZ 3Å; L232-K234 VanDerWaalsContact C-N 3.29Å; L232-K234 PolarHBondContact O-N 3.37Å; K234-T261 CarbonylContact O-C 3.45Å; K234-T261 VanDerWaalsContact O-C 3.29Å; K234-I262 WeakPolarHBondContact O-CD1 3.41Å; K234-I262 PolarHBondContact O-N 2.97Å
235	E	96	Very high	87.8	Confident	120 Å²	120	52.5 Å²	52.5	56%	0.561	27%	0.272	S	S	*	.	S	Bend	trans	-75.1	-31.9	174.1	-174.4	-175.6	179.7	0	0	112.5	I262 T263 W264	E235-I262 WeakPolarHBondContact O-CA 3.39Å; E235-T263 HydrophobicContact CG-CG2 4.35Å; E235-T263 WeakPolarHBondContact CG-OG1 3.49Å; E235-T263 PolarHBondContact O-N 2.94Å; E235-T263 PolarHBondContact OE1-OG1 3.26Å; E235-W264 PolarHBondContact O-N 3.3Å; E235-W264 VanDerWaalsContact O-N 3.15Å
236	K	97.5	Very high	88	Confident	118 Å²	118	53 Å²	53	51%	0.513	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.5	-171.4	-52.7	-166.4	176.8	177.2	0	111.4	W264	K236-W264 WeakPolarHBondContact CA-O 3.19Å; K236-W264 HydrophobicContact CB-CB 4.27Å; K236-W264 HydrophobicContact CB-CD2 4.27Å; K236-W264 HydrophobicContact CB-CE3 3.75Å; K236-W264 HydrophobicContact CB-CZ3 4.4Å; K236-W264 HydrophobicContact CD-CB 4.5Å; K236-W264 HydrophobicContact CD-CD2 4.26Å; K236-W264 HydrophobicContact CD-CE3 4.43Å; K236-W264 HydrophobicContact CD-CG 4.3Å; K236-W264 HydrophobicContact CG-CB 3.9Å; K236-W264 HydrophobicContact CG-CD2 4.33Å; K236-W264 HydrophobicContact CG-CE3 4.31Å; K236-W264 HydrophobicContact CG-CG 4.19Å
237	L	96.3	Very high	88.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	108.2	170.9	-176.2	59.5	0	0	0	110	Y227 N231 L232 L239 I252 L256 I262 W264 L265 D266	Y227-L237 HydrophobicContact CE1-CD1 4.24Å; N231-L237 HydrophobicContact CB-CD1 3.79Å; L232-L237 HydrophobicContact CD2-CD2 4.27Å; L237-L239 HydrophobicContact CD1-CD2 4.07Å; L237-L239 HydrophobicContact CD1-CG 4.19Å; L237-L239 HydrophobicContact CD2-CD1 4.04Å; L237-L239 HydrophobicContact CG-CD1 4.06Å; L237-L239 HydrophobicContact CG-CD2 4.44Å; L237-L239 HydrophobicContact CG-CG 4.01Å; L237-I252 HydrophobicContact CD2-CG2 4.48Å; L237-L256 HydrophobicContact CD2-CD1 4.41Å; L237-L256 HydrophobicContact CD2-CD2 4.09Å; L237-I262 HydrophobicContact CB-CD1 3.78Å; L237-I262 HydrophobicContact CB-CG1 4.35Å; L237-I262 HydrophobicContact CB-CG2 4.16Å; L237-W264 PolarHBondContact N-O 3.05Å; L237-L265 HydrophobicContact CB-CD1 4.32Å; L237-L265 HydrophobicContact CD2-CD1 4.1Å; L237-L265 HydrophobicContact CG-CD1 4.33Å; L237-D266 PolarHBondContact O-N 3.41Å
238	S	95.8	Very high	88.6	Confident	30 Å²	30	50.9 Å²	50.9	21%	0.21	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116	175.8	-172.8	0	0	0	0	111.1	Y227	Y227-S238 WeakPolarHBondContact CE1-O 3.3Å; Y227-S238 PolarHBondContact OH-O 3.32Å
239	L	93.2	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.			trans	-118.2	31.4	179.6	-57.8	169.1	0	0	0	111.4	Y227 V228 L237 I244 I252 D266 L267 N270	Y227-L239 HydrophobicContact CD1-CD2 3.84Å; Y227-L239 HydrophobicContact CE1-CD2 4.08Å; V228-L239 HydrophobicContact CG2-CD2 3.94Å; L237-L239 HydrophobicContact CD1-CD2 4.07Å; L237-L239 HydrophobicContact CD1-CG 4.19Å; L237-L239 HydrophobicContact CD2-CD1 4.04Å; L237-L239 HydrophobicContact CG-CD1 4.06Å; L237-L239 HydrophobicContact CG-CD2 4.44Å; L237-L239 HydrophobicContact CG-CG 4.01Å; L239-I244 HydrophobicContact CB-CD1 3.63Å; L239-I244 HydrophobicContact CD1-CD1 4.2Å; L239-I244 HydrophobicContact CG-CD1 4.49Å; L239-I252 HydrophobicContact CD1-CD1 3.91Å; L239-I252 HydrophobicContact CD1-CG2 4Å; L239-D266 PolarHBondContact N-O 2.88Å; L239-L267 HydrophobicContact CB-CD2 4.16Å; L239-L267 HydrophobicContact CD1-CD2 3.89Å; L239-N270 PolarHBondContact O-ND2 3.26Å
240	Q	90.9	Very high	89.3	Confident	78 Å²	78	54 Å²	54	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	144.5	-179.2	-60.1	179.1	13.6	0	0	113	R242 D266 S268	Q240-R242 WeakPolarHBondContact O-CG 3.28Å; Q240-R242 PolarHBondContact O-N 3.26Å; Q240-R242 VanDerWaalsContact O-N 3.14Å; Q240-D266 VanDerWaalsContact CG-OD2 3.31Å; Q240-D266 WeakPolarHBondContact CG-OD2 3.37Å; Q240-D266 PolarHBondContact NE2-OD2 2.96Å; Q240-S268 WeakPolarHBondContact CA-O 3.14Å
241	H	84	Confident	89.7	Confident	73 Å²	73	50.1 Å²	50.1	34%	0.338	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.9	173.1	-58.3	-80.3	0	0	0	115	S268 Y269	H241-S268 PolarHBondContact N-O 2.86Å; H241-Y269 WeakPolarHBondContact CE1-CB 3.29Å; H241-Y269 AromaticContact CE1-CD1 3.38Å; H241-Y269 WeakPolarHBondContact CE1-CD1 3.45Å; H241-Y269 AromaticContact CE1-CD2 3.78Å; H241-Y269 AromaticContact CE1-CG 3.17Å; H241-Y269 WeakPolarHBondContact ND1-CB 3.25Å; H241-Y269 AromaticContact ND1-CG 3.83Å; H241-Y269 AromaticContact NE2-CD1 3.88Å; H241-Y269 AromaticContact NE2-CD2 3.47Å; H241-Y269 WeakPolarHBondContact NE2-CD2 3.29Å; H241-Y269 AromaticContact NE2-CG 3.38Å
242	R	81.1	Confident	89.8	Confident	109 Å²	109	49.5 Å²	49.5	41%	0.411	27%	0.266	S	S	.	.	S	Bend	trans	-95.2	-2.2	-177.3	-69	-167	-178.4	-114	-4.3	114.2	Y227 Q240 I244 N270	Y227-R242 VanDerWaalsContact CB-NH1 3.32Å; Y227-R242 VanDerWaalsContact CE2-NH2 3.29Å; Y227-R242 VanDerWaalsContact CG-CZ 3.45Å; Q240-R242 WeakPolarHBondContact O-CG 3.28Å; Q240-R242 PolarHBondContact O-N 3.26Å; Q240-R242 VanDerWaalsContact O-N 3.14Å; R242-I244 HydrophobicContact CB-CD1 4.38Å; R242-I244 HydrophobicContact CB-CG1 3.73Å; R242-I244 PolarHBondContact O-N 2.92Å; R242-N270 PolarHBondContact N-OD1 3.23Å
243	G	77	Confident	90	Very high	68 Å²	68	49.6 Å²	49.6	70%	0.701	27%	0.266	S	S	*	.			trans	58.5	37.3	-177.5	0	0	0	0	0	111.6	G245 N270	G243-G245 PolarHBondContact O-N 3.29Å; G243-G245 VanDerWaalsContact O-N 3.09Å; G243-N270 PolarHBondContact N-OD1 2.91Å; G243-N270 VanDerWaalsContact N-OD1 3.08Å
244	I	80.3	Confident	90.1	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.041	25%	0.25	C	S	.	.			trans	-61.9	113.4	-174.3	-51.6	173.3	0	0	0	108.5	L239 R242 E248 I249 I252 L267 N270	L239-I244 HydrophobicContact CB-CD1 3.63Å; L239-I244 HydrophobicContact CD1-CD1 4.2Å; L239-I244 HydrophobicContact CG-CD1 4.49Å; R242-I244 HydrophobicContact CB-CD1 4.38Å; R242-I244 HydrophobicContact CB-CG1 3.73Å; R242-I244 PolarHBondContact O-N 2.92Å; I244-E248 HydrophobicContact CG2-CB 3.6Å; I244-I249 HydrophobicContact CG2-CB 3.71Å; I244-I249 HydrophobicContact CG2-CD1 4.35Å; I244-I252 HydrophobicContact CG2-CD1 4.44Å; I244-L267 HydrophobicContact CD1-CD2 4.25Å; I244-N270 PolarHBondContact N-OD1 3.26Å
245	G	79.1	Confident	90.1	Very high	29 Å²	29	43.1 Å²	43.1	30%	0.299	23%	0.227	S	C	.	.			trans	-75	172	174.7	0	0	0	0	0	112.3	G243 L247 E248 I249	G243-G245 PolarHBondContact O-N 3.29Å; G243-G245 VanDerWaalsContact O-N 3.09Å; G245-L247 PolarHBondContact O-N 3.21Å; G245-E248 VanDerWaalsContact C-OE2 3.28Å; G245-E248 WeakPolarHBondContact CA-OE2 3.45Å; G245-E248 PolarHBondContact N-OE2 3.15Å; G245-E248 VanDerWaalsContact N-OE2 3.14Å; G245-E248 PolarHBondContact O-N 3.26Å; G245-I249 WeakPolarHBondContact O-CG2 3.47Å; G245-I249 PolarHBondContact O-N 3.03Å
246	N	88.4	Confident	90.1	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-56.2	-32.9	179.3	-78.3	-39.1	0	0	0	113.3	I249 K250 E273 S276	N246-I249 WeakPolarHBondContact O-CG2 3.49Å; N246-K250 WeakPolarHBondContact O-CB 3.19Å; N246-K250 PolarHBondContact O-N 3.42Å; N246-E273 PolarHBondContact ND2-OE2 2.85Å; N246-S276 PolarHBondContact OD1-OG 2.86Å
247	L	89.8	Confident	89.9	Confident	64 Å²	64	34.4 Å²	34.4	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-76	-48.8	179.5	-177.6	56.3	0	0	0	110.4	N220 V222 G245 I249 K250 L251	N220-L247 HydrophobicContact CB-CD1 4.28Å; V222-L247 HydrophobicContact CG2-CD2 3.47Å; V222-L247 VanDerWaalsContact CG2-CD2 3.47Å; V222-L247 HydrophobicContact CG2-CG 4.14Å; G245-L247 PolarHBondContact O-N 3.21Å; L247-I249 VanDerWaalsContact C-N 3.33Å; L247-I249 PolarHBondContact O-N 3.41Å; L247-K250 WeakPolarHBondContact O-CB 3.22Å; L247-K250 PolarHBondContact O-N 2.81Å; L247-K250 VanDerWaalsContact O-N 3.13Å; L247-L251 HydrophobicContact CD1-CD2 4.38Å; L247-L251 HydrophobicContact CD1-CG 4.38Å; L247-L251 HydrophobicContact CG-CD1 4.39Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.16Å
248	E	90.2	Very high	89.4	Confident	67 Å²	67	39.4 Å²	39.4	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-45.4	-178.8	-65.9	75.5	-165.5	0	0	111.2	I244 G245 K250 L251 I252	I244-E248 HydrophobicContact CG2-CB 3.6Å; G245-E248 VanDerWaalsContact C-OE2 3.28Å; G245-E248 WeakPolarHBondContact CA-OE2 3.45Å; G245-E248 PolarHBondContact N-OE2 3.15Å; G245-E248 VanDerWaalsContact N-OE2 3.14Å; G245-E248 PolarHBondContact O-N 3.26Å; E248-K250 VanDerWaalsContact C-N 3.33Å; E248-K250 PolarHBondContact O-N 3.26Å; E248-L251 PolarHBondContact O-N 3.01Å; E248-I252 WeakPolarHBondContact O-CD1 3.44Å; E248-I252 VanDerWaalsContact O-CG1 3.24Å; E248-I252 WeakPolarHBondContact O-CG1 3.23Å; E248-I252 PolarHBondContact O-N 2.87Å
249	I	92.8	Very high	89.3	Confident	3 Å²	3	38 Å²	38	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-36.2	178.3	-167.2	62.8	0	0	0	111.7	I244 G245 N246 L247 I252 T253 L267 S276 F279	I244-I249 HydrophobicContact CG2-CB 3.71Å; I244-I249 HydrophobicContact CG2-CD1 4.35Å; G245-I249 WeakPolarHBondContact O-CG2 3.47Å; G245-I249 PolarHBondContact O-N 3.03Å; N246-I249 WeakPolarHBondContact O-CG2 3.49Å; L247-I249 VanDerWaalsContact C-N 3.33Å; L247-I249 PolarHBondContact O-N 3.41Å; I249-I252 PolarHBondContact O-N 3.29Å; I249-T253 HydrophobicContact CD1-CG2 4.2Å; I249-T253 HydrophobicContact CG1-CG2 4.12Å; I249-T253 WeakPolarHBondContact O-CB 3.32Å; I249-T253 VanDerWaalsContact O-CG2 3.24Å; I249-T253 WeakPolarHBondContact O-CG2 3.19Å; I249-T253 PolarHBondContact O-N 2.89Å; I249-T253 PolarHBondContact O-OG1 2.92Å; I249-L267 HydrophobicContact CD1-CD1 3.98Å; I249-L267 HydrophobicContact CD1-CD2 3.92Å; I249-S276 WeakPolarHBondContact CG2-OG 3.49Å; I249-F279 HydrophobicContact CG2-CD2 4.4Å
250	K	94	Very high	89.3	Confident	66 Å²	66	40.4 Å²	40.4	29%	0.287	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-48.7	173.7	-178.8	-173.2	175.9	-171.5	0	110.7	N246 L247 E248 I252 T253 E254 F279	N246-K250 WeakPolarHBondContact O-CB 3.19Å; N246-K250 PolarHBondContact O-N 3.42Å; L247-K250 WeakPolarHBondContact O-CB 3.22Å; L247-K250 PolarHBondContact O-N 2.81Å; L247-K250 VanDerWaalsContact O-N 3.13Å; E248-K250 VanDerWaalsContact C-N 3.33Å; E248-K250 PolarHBondContact O-N 3.26Å; K250-I252 VanDerWaalsContact C-N 3.34Å; K250-I252 PolarHBondContact O-N 3.11Å; K250-T253 WeakPolarHBondContact CA-OG1 3.35Å; K250-T253 PolarHBondContact O-N 2.92Å; K250-T253 PolarHBondContact O-OG1 2.77Å; K250-E254 WeakPolarHBondContact O-CG 3.28Å; K250-E254 PolarHBondContact O-N 3.47Å; K250-F279 HydrophobicContact CB-CD1 4.47Å; K250-F279 HydrophobicContact CB-CD2 3.74Å; K250-F279 HydrophobicContact CB-CE1 4.4Å; K250-F279 HydrophobicContact CB-CE2 3.66Å; K250-F279 HydrophobicContact CB-CG 4.17Å; K250-F279 HydrophobicContact CB-CZ 4.02Å; K250-F279 HydrophobicContact CD-CE1 3.97Å; K250-F279 HydrophobicContact CD-CE2 4.19Å; K250-F279 HydrophobicContact CD-CZ 3.71Å; K250-F279 HydrophobicContact CG-CD1 4.02Å; K250-F279 HydrophobicContact CG-CD2 4.17Å; K250-F279 HydrophobicContact CG-CE1 3.81Å; K250-F279 HydrophobicContact CG-CE2 3.97Å; K250-F279 HydrophobicContact CG-CG 4.22Å; K250-F279 HydrophobicContact CG-CZ 3.79Å
251	L	92.6	Very high	89.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-41.5	-179.1	-56.7	176.8	0	0	0	111.7	Y213 F216 N220 V222 L247 E248 A255	Y213-L251 HydrophobicContact CD2-CB 4.35Å; Y213-L251 HydrophobicContact CE2-CB 4.01Å; F216-L251 HydrophobicContact CB-CD2 3.78Å; F216-L251 WeakPolarHBondContact O-CD2 3.42Å; N220-L251 HydrophobicContact CB-CD2 4.1Å; N220-L251 WeakPolarHBondContact ND2-CD2 3.32Å; V222-L251 HydrophobicContact CB-CD1 3.93Å; V222-L251 HydrophobicContact CG1-CD1 4.11Å; V222-L251 HydrophobicContact CG2-CD1 4.11Å; L247-L251 HydrophobicContact CD1-CD2 4.38Å; L247-L251 HydrophobicContact CD1-CG 4.38Å; L247-L251 HydrophobicContact CG-CD1 4.39Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.16Å; E248-L251 PolarHBondContact O-N 3.01Å; L251-A255 PolarHBondContact O-N 3.14Å
252	I	93.6	Very high	90.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-45.3	178.1	-66.2	166	0	0	0	110.6	Y213 L225 V228 L237 L239 I244 E248 I249 K250 E254 A255 L256	Y213-I252 HydrophobicContact CD2-CG1 4.5Å; Y213-I252 HydrophobicContact CE2-CG1 3.81Å; L225-I252 HydrophobicContact CD1-CD1 4.49Å; V228-I252 HydrophobicContact CG1-CG1 4.31Å; V228-I252 HydrophobicContact CG2-CD1 3.9Å; V228-I252 HydrophobicContact CG2-CG1 4.05Å; L237-I252 HydrophobicContact CD2-CG2 4.48Å; L239-I252 HydrophobicContact CD1-CD1 3.91Å; L239-I252 HydrophobicContact CD1-CG2 4Å; I244-I252 HydrophobicContact CG2-CD1 4.44Å; E248-I252 WeakPolarHBondContact O-CD1 3.44Å; E248-I252 VanDerWaalsContact O-CG1 3.24Å; E248-I252 WeakPolarHBondContact O-CG1 3.23Å; E248-I252 PolarHBondContact O-N 2.87Å; I249-I252 PolarHBondContact O-N 3.29Å; K250-I252 VanDerWaalsContact C-N 3.34Å; K250-I252 PolarHBondContact O-N 3.11Å; I252-E254 PolarHBondContact O-N 3.13Å; I252-A255 WeakPolarHBondContact O-CB 3.44Å; I252-A255 PolarHBondContact O-N 2.94Å; I252-L256 HydrophobicContact CG2-CD1 3.82Å; I252-L256 HydrophobicContact CG2-CG 4.31Å; I252-L256 WeakPolarHBondContact O-CG 3.33Å; I252-L256 PolarHBondContact O-N 2.87Å
253	T	94.4	Very high	90.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-34.6	179.9	49.9	0	0	0	0	112.5	I249 K250 A255 L256 R257 F279 V283	I249-T253 HydrophobicContact CD1-CG2 4.2Å; I249-T253 HydrophobicContact CG1-CG2 4.12Å; I249-T253 WeakPolarHBondContact O-CB 3.32Å; I249-T253 VanDerWaalsContact O-CG2 3.24Å; I249-T253 WeakPolarHBondContact O-CG2 3.19Å; I249-T253 PolarHBondContact O-N 2.89Å; I249-T253 PolarHBondContact O-OG1 2.92Å; K250-T253 WeakPolarHBondContact CA-OG1 3.35Å; K250-T253 PolarHBondContact O-N 2.92Å; K250-T253 PolarHBondContact O-OG1 2.77Å; T253-A255 VanDerWaalsContact C-N 3.29Å; T253-A255 PolarHBondContact O-N 3.1Å; T253-L256 PolarHBondContact O-N 2.93Å; T253-L256 VanDerWaalsContact O-N 3.13Å; T253-R257 WeakPolarHBondContact O-CG 3.43Å; T253-R257 PolarHBondContact O-N 2.86Å; T253-F279 HydrophobicContact CG2-CB 4.28Å; T253-F279 WeakPolarHBondContact OG1-CB 3.39Å; T253-V283 HydrophobicContact CG2-CG2 3.88Å; T253-V283 WeakPolarHBondContact O-CG2 3.5Å
254	E	92.5	Very high	92	Very high	17 Å²	17	30.7 Å²	30.7	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-43.5	171.6	-71.8	-59.7	161.8	0	0	111.4	H212 F216 K250 I252 R257	H212-E254 VanDerWaalsContact CD2-C 3.49Å; H212-E254 PolarHBondContact CD2-O 2.94Å; H212-E254 PolarHBondContact NE2-O 2.68Å; F216-E254 HydrophobicContact CD1-CG 4.14Å; F216-E254 HydrophobicContact CD2-CB 3.85Å; F216-E254 HydrophobicContact CD2-CG 4.3Å; F216-E254 HydrophobicContact CE1-CG 4.08Å; F216-E254 HydrophobicContact CE2-CB 4.07Å; F216-E254 HydrophobicContact CE2-CG 4.31Å; F216-E254 HydrophobicContact CG-CB 4.11Å; F216-E254 HydrophobicContact CG-CG 4.24Å; F216-E254 HydrophobicContact CZ-CB 4.44Å; F216-E254 HydrophobicContact CZ-CG 4.17Å; K250-E254 WeakPolarHBondContact O-CG 3.28Å; K250-E254 PolarHBondContact O-N 3.47Å; I252-E254 PolarHBondContact O-N 3.13Å; E254-R257 IonicContact OE2-CZ 2.75Å; E254-R257 IonicContact OE2-NH1 3.71Å; E254-R257 PolarHBondContact OE2-NH1 2.79Å
255	A	92.8	Very high	92.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-40.2	174.8	0	0	0	0	0	112.5	G209 Y213 L232 L251 I252 T253 R257 N259	G209-A255 WeakPolarHBondContact O-CB 3.33Å; Y213-A255 HydrophobicContact CD2-CB 4.45Å; L232-A255 HydrophobicContact CD1-CB 4.25Å; L232-A255 HydrophobicContact CD2-CB 4.49Å; L251-A255 PolarHBondContact O-N 3.14Å; I252-A255 WeakPolarHBondContact O-CB 3.44Å; I252-A255 PolarHBondContact O-N 2.94Å; T253-A255 VanDerWaalsContact C-N 3.29Å; T253-A255 PolarHBondContact O-N 3.1Å; A255-R257 VanDerWaalsContact C-N 3.34Å; A255-R257 PolarHBondContact O-N 3.22Å; A255-N259 PolarHBondContact O-N 3.45Å
256	L	96	Very high	93.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-70.6	-23.7	-177.8	-68.7	173.7	0	0	0	113.8	L232 L237 I252 T253 H258 N259 I262 L265 V283 N287	L232-L256 HydrophobicContact CD2-CD2 3.92Å; L237-L256 HydrophobicContact CD2-CD1 4.41Å; L237-L256 HydrophobicContact CD2-CD2 4.09Å; I252-L256 HydrophobicContact CG2-CD1 3.82Å; I252-L256 HydrophobicContact CG2-CG 4.31Å; I252-L256 WeakPolarHBondContact O-CG 3.33Å; I252-L256 PolarHBondContact O-N 2.87Å; T253-L256 PolarHBondContact O-N 2.93Å; T253-L256 VanDerWaalsContact O-N 3.13Å; L256-H258 PolarHBondContact O-N 2.87Å; L256-N259 HydrophobicContact CD2-CB 4.28Å; L256-N259 PolarHBondContact O-N 3.16Å; L256-I262 HydrophobicContact CD2-CB 4.39Å; L256-I262 HydrophobicContact CD2-CG1 4.05Å; L256-L265 HydrophobicContact CD1-CD1 3.85Å; L256-L265 HydrophobicContact CD1-CD2 3.86Å; L256-V283 HydrophobicContact CB-CG1 4.08Å; L256-V283 HydrophobicContact CB-CG2 4.18Å; L256-N287 PolarHBondContact O-ND2 3.19Å
257	R	93.5	Very high	94.1	Very high	54 Å²	54	26.6 Å²	26.6	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-55.7	-34.6	177.5	-75.4	168.2	66.6	-143.8	-6.4	113.1	T253 E254 A255 V283 E286	T253-R257 WeakPolarHBondContact O-CG 3.43Å; T253-R257 PolarHBondContact O-N 2.86Å; E254-R257 IonicContact OE2-CZ 2.75Å; E254-R257 IonicContact OE2-NH1 3.71Å; E254-R257 PolarHBondContact OE2-NH1 2.79Å; A255-R257 VanDerWaalsContact C-N 3.34Å; A255-R257 PolarHBondContact O-N 3.22Å; R257-V283 HydrophobicContact CG-CG2 4.07Å; R257-E286 IonicContact CZ-OE1 2.76Å; R257-E286 IonicContact CZ-OE2 2.7Å; R257-E286 IonicContact NE-OE1 3.72Å; R257-E286 IonicContact NE-OE2 3.25Å; R257-E286 PolarHBondContact NE-OE2 3.24Å; R257-E286 VanDerWaalsContact NH2-CD 3.29Å; R257-E286 IonicContact NH2-OE1 3.85Å; R257-E286 PolarHBondContact NH2-OE1 3.02Å; R257-E286 VanDerWaalsContact NH2-OE1 3.09Å; R257-E286 IonicContact NH2-OE2 3.85Å; R257-E286 PolarHBondContact NH2-OE2 2.95Å
258	H	85.7	Confident	94.4	Very high	105 Å²	105	23.8 Å²	23.8	49%	0.486	11%	0.114	S	C	.	.	H	α-helix	trans	-117.4	0.8	-177.3	-56.6	-45.1	0	0	0	113.9	L256 T260 E286	L256-H258 PolarHBondContact O-N 2.87Å; H258-T260 PolarHBondContact O-N 3.36Å; H258-E286 IonicContact CE1-OE2 2.82Å
259	N	93.4	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.			trans	-63.3	132.3	174.7	176.9	-76.1	0	0	0	110.7	T208 L232 A255 L256 T261 I262 N287	T208-N259 PolarHBondContact O-ND2 3.17Å; L232-N259 PolarHBondContact O-ND2 3.18Å; A255-N259 PolarHBondContact O-N 3.45Å; L256-N259 HydrophobicContact CD2-CB 4.28Å; L256-N259 PolarHBondContact O-N 3.16Å; N259-T261 PolarHBondContact ND2-OG1 3.27Å; N259-T261 PolarHBondContact OD1-N 3.42Å; N259-T261 PolarHBondContact OD1-OG1 2.97Å; N259-I262 VanDerWaalsContact OD1-CB 3.31Å; N259-I262 WeakPolarHBondContact OD1-CB 3.45Å; N259-I262 WeakPolarHBondContact OD1-CG1 3.12Å; N259-I262 PolarHBondContact OD1-N 2.99Å; N259-N287 PolarHBondContact O-ND2 2.94Å
260	T	93.8	Very high	94.4	Very high	51 Å²	51	25 Å²	25	31%	0.313	12%	0.117	S	C	.	.	S	Bend	trans	-111.4	2.4	-179.9	79.8	0	0	0	0	113.8	T207 H258 F289	T207-T260 WeakPolarHBondContact CB-OG1 3.5Å; T207-T260 PolarHBondContact O-N 3.19Å; T207-T260 PolarHBondContact O-OG1 2.91Å; H258-T260 PolarHBondContact O-N 3.36Å; T260-F289 HydrophobicContact CG2-CD2 4.2Å; T260-F289 HydrophobicContact CG2-CE2 3.61Å; T260-F289 HydrophobicContact CG2-CZ 3.83Å; T260-F289 WeakPolarHBondContact O-CD1 3.4Å
261	T	94.4	Very high	94	Very high	36 Å²	36	26.5 Å²	26.5	22%	0.221	13%	0.131	C	C	.	.	S	Bend	trans	-102.8	-42.5	-172.8	46	0	0	0	0	112.2	T208 L232 K234 N259 T263	T208-T261 HydrophobicContact CG2-CG2 4.25Å; L232-T261 PolarHBondContact O-OG1 3.26Å; K234-T261 CarbonylContact O-C 3.45Å; K234-T261 VanDerWaalsContact O-C 3.29Å; N259-T261 PolarHBondContact ND2-OG1 3.27Å; N259-T261 PolarHBondContact OD1-N 3.42Å; N259-T261 PolarHBondContact OD1-OG1 2.97Å; T261-T263 PolarHBondContact O-N 3.25Å
262	I	97.5	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.			trans	-71.7	117.8	-179.1	-55.6	-59.9	0	0	0	109.3	N231 K234 E235 L237 L256 N259 W264 I290	N231-I262 VanDerWaalsContact O-CD1 3.27Å; N231-I262 WeakPolarHBondContact O-CD1 3.44Å; K234-I262 WeakPolarHBondContact O-CD1 3.41Å; K234-I262 PolarHBondContact O-N 2.97Å; E235-I262 WeakPolarHBondContact O-CA 3.39Å; L237-I262 HydrophobicContact CB-CD1 3.78Å; L237-I262 HydrophobicContact CB-CG1 4.35Å; L237-I262 HydrophobicContact CB-CG2 4.16Å; L256-I262 HydrophobicContact CD2-CB 4.39Å; L256-I262 HydrophobicContact CD2-CG1 4.05Å; N259-I262 VanDerWaalsContact OD1-CB 3.31Å; N259-I262 WeakPolarHBondContact OD1-CB 3.45Å; N259-I262 WeakPolarHBondContact OD1-CG1 3.12Å; N259-I262 PolarHBondContact OD1-N 2.99Å; I262-W264 VanDerWaalsContact CG2-O 3.27Å; I262-W264 WeakPolarHBondContact CG2-O 3.46Å; I262-I290 HydrophobicContact CG2-CG1 4.44Å; I262-I290 WeakPolarHBondContact O-CG1 3.29Å
263	T	98	Very high	93.6	Very high	31 Å²	31	31.9 Å²	31.9	19%	0.19	16%	0.157	C	C	.	.			trans	-106.7	-13.9	170	67.9	0	0	0	0	111.9	E235 T261 Q291 T292	E235-T263 HydrophobicContact CG-CG2 4.35Å; E235-T263 WeakPolarHBondContact CG-OG1 3.49Å; E235-T263 PolarHBondContact O-N 2.94Å; E235-T263 PolarHBondContact OE1-OG1 3.26Å; T261-T263 PolarHBondContact O-N 3.25Å; T263-Q291 PolarHBondContact O-N 3.34Å; T263-T292 PolarHBondContact O-N 3.1Å
264	W	98.3	Very high	93.5	Very high	56 Å²	56	34.7 Å²	34.7	21%	0.212	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115	-176.5	-173.9	102.4	0	0	0	109.1	E235 K236 L237 I262 D266 T292 L294	E235-W264 PolarHBondContact O-N 3.3Å; E235-W264 VanDerWaalsContact O-N 3.15Å; K236-W264 WeakPolarHBondContact CA-O 3.19Å; K236-W264 HydrophobicContact CB-CB 4.27Å; K236-W264 HydrophobicContact CB-CD2 4.27Å; K236-W264 HydrophobicContact CB-CE3 3.75Å; K236-W264 HydrophobicContact CB-CZ3 4.4Å; K236-W264 HydrophobicContact CD-CB 4.5Å; K236-W264 HydrophobicContact CD-CD2 4.26Å; K236-W264 HydrophobicContact CD-CE3 4.43Å; K236-W264 HydrophobicContact CD-CG 4.3Å; K236-W264 HydrophobicContact CG-CB 3.9Å; K236-W264 HydrophobicContact CG-CD2 4.33Å; K236-W264 HydrophobicContact CG-CE3 4.31Å; K236-W264 HydrophobicContact CG-CG 4.19Å; L237-W264 PolarHBondContact N-O 3.05Å; I262-W264 VanDerWaalsContact CG2-O 3.27Å; I262-W264 WeakPolarHBondContact CG2-O 3.46Å; W264-D266 HydrophobicContact CE3-CB 3.91Å; W264-D266 HydrophobicContact CH2-CB 3.14Å; W264-D266 WeakPolarHBondContact CH2-OD2 3.12Å; W264-D266 HydrophobicContact CZ2-CB 3.84Å; W264-D266 HydrophobicContact CZ3-CB 3.16Å; W264-T292 VanDerWaalsContact CD1-CB 3.41Å; W264-T292 HydrophobicContact CG-CG2 4.19Å; W264-L294 HydrophobicContact CH2-CD1 4.06Å; W264-L294 HydrophobicContact CZ2-CD1 3.27Å; W264-L294 HydrophobicContact CZ2-CG 4.33Å
265	L	97.9	Very high	93.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.2	178.6	177	63.8	0	0	0	109.4	L237 L256 L267 L280 I290 T292 L293 L294	L237-L265 HydrophobicContact CB-CD1 4.32Å; L237-L265 HydrophobicContact CD2-CD1 4.1Å; L237-L265 HydrophobicContact CG-CD1 4.33Å; L256-L265 HydrophobicContact CD1-CD1 3.85Å; L256-L265 HydrophobicContact CD1-CD2 3.86Å; L265-L267 HydrophobicContact CD1-CD2 4.12Å; L265-L267 HydrophobicContact CD1-CG 4.27Å; L265-L267 HydrophobicContact CD2-CD1 4.22Å; L265-L267 HydrophobicContact CD2-CG 4.44Å; L265-L267 HydrophobicContact CG-CD1 4.47Å; L265-L267 HydrophobicContact CG-CG 4.16Å; L265-L280 HydrophobicContact CD2-CD1 4.05Å; L265-I290 HydrophobicContact CB-CD1 4.43Å; L265-I290 HydrophobicContact CB-CG2 4.21Å; L265-I290 HydrophobicContact CD2-CD1 4.25Å; L265-T292 PolarHBondContact N-O 3.36Å; L265-L293 HydrophobicContact CB-CD1 4.38Å; L265-L293 HydrophobicContact CD2-CD1 3.92Å; L265-L293 HydrophobicContact CG-CD1 4.22Å; L265-L293 WeakPolarHBondContact O-CA 3.23Å; L265-L294 PolarHBondContact O-N 2.7Å
266	D	97.8	Very high	93.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115	178.8	179.3	7.2	0	0	0	111.2	L237 L239 Q240 W264 S268 L294	L237-D266 PolarHBondContact O-N 3.41Å; L239-D266 PolarHBondContact N-O 2.88Å; Q240-D266 VanDerWaalsContact CG-OD2 3.31Å; Q240-D266 WeakPolarHBondContact CG-OD2 3.37Å; Q240-D266 PolarHBondContact NE2-OD2 2.96Å; W264-D266 HydrophobicContact CE3-CB 3.91Å; W264-D266 HydrophobicContact CH2-CB 3.14Å; W264-D266 WeakPolarHBondContact CH2-OD2 3.12Å; W264-D266 HydrophobicContact CZ2-CB 3.84Å; W264-D266 HydrophobicContact CZ3-CB 3.16Å; D266-S268 WeakPolarHBondContact OD1-CB 3.29Å; D266-S268 PolarHBondContact OD1-N 3.45Å; D266-S268 PolarHBondContact OD1-OG 2.92Å; D266-L294 HydrophobicContact CB-CB 4.04Å; D266-L294 HydrophobicContact CB-CD1 4.03Å; D266-L294 HydrophobicContact CB-CG 4.3Å
267	L	96.3	Very high	93.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.196	C	C	.	.			trans	-113.4	12.9	178.6	-58.1	173.2	0	0	0	111.1	L239 I244 I249 L265 N270 L272 L280 L294 L295 C298	L239-L267 HydrophobicContact CB-CD2 4.16Å; L239-L267 HydrophobicContact CD1-CD2 3.89Å; I244-L267 HydrophobicContact CD1-CD2 4.25Å; I249-L267 HydrophobicContact CD1-CD1 3.98Å; I249-L267 HydrophobicContact CD1-CD2 3.92Å; L265-L267 HydrophobicContact CD1-CD2 4.12Å; L265-L267 HydrophobicContact CD1-CG 4.27Å; L265-L267 HydrophobicContact CD2-CD1 4.22Å; L265-L267 HydrophobicContact CD2-CG 4.44Å; L265-L267 HydrophobicContact CG-CD1 4.47Å; L265-L267 HydrophobicContact CG-CG 4.16Å; L267-N270 WeakPolarHBondContact O-CB 3.39Å; L267-N270 PolarHBondContact O-N 3.08Å; L267-N270 PolarHBondContact O-ND2 3.38Å; L267-L272 HydrophobicContact CB-CD1 4.24Å; L267-L272 HydrophobicContact CD1-CD1 4.3Å; L267-L280 HydrophobicContact CD1-CD1 4.21Å; L267-L280 HydrophobicContact CD1-CD2 4.18Å; L267-L294 PolarHBondContact N-O 3.37Å; L267-L295 HydrophobicContact CB-CD2 4.04Å; L267-L295 HydrophobicContact CD1-CD2 4.03Å; L267-C298 PolarHBondContact O-SG 3.28Å
268	S	96.4	Very high	93.6	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.035	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	150.3	-172.8	-51.2	0	0	0	0	112.2	Q240 H241 D266 N270 L294 S296	Q240-S268 WeakPolarHBondContact CA-O 3.14Å; H241-S268 PolarHBondContact N-O 2.86Å; D266-S268 WeakPolarHBondContact OD1-CB 3.29Å; D266-S268 PolarHBondContact OD1-N 3.45Å; D266-S268 PolarHBondContact OD1-OG 2.92Å; S268-N270 PolarHBondContact O-N 3.21Å; S268-N270 PolarHBondContact O-ND2 3.15Å; S268-L294 WeakPolarHBondContact OG-CB 3.31Å; S268-S296 CarbonylContact C-O 3.54Å; S268-S296 WeakPolarHBondContact CA-O 3.08Å; S268-S296 VanDerWaalsContact CB-O 3.3Å; S268-S296 WeakPolarHBondContact CB-O 3.1Å; S268-S296 PolarHBondContact OG-N 3.46Å
269	Y	93.5	Very high	94	Very high	93 Å²	93	34.3 Å²	34.3	37%	0.365	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	33.8	-179.2	-51.6	-91	0	0	0	114.2	H241 S296 E297	H241-Y269 WeakPolarHBondContact CE1-CB 3.29Å; H241-Y269 AromaticContact CE1-CD1 3.38Å; H241-Y269 WeakPolarHBondContact CE1-CD1 3.45Å; H241-Y269 AromaticContact CE1-CD2 3.78Å; H241-Y269 AromaticContact CE1-CG 3.17Å; H241-Y269 WeakPolarHBondContact ND1-CB 3.25Å; H241-Y269 AromaticContact ND1-CG 3.83Å; H241-Y269 AromaticContact NE2-CD1 3.88Å; H241-Y269 AromaticContact NE2-CD2 3.47Å; H241-Y269 WeakPolarHBondContact NE2-CD2 3.29Å; H241-Y269 AromaticContact NE2-CG 3.38Å; Y269-S296 PolarHBondContact N-O 3.14Å; Y269-E297 HydrophobicContact CD1-CB 3.52Å; Y269-E297 HydrophobicContact CD1-CG 3.91Å; Y269-E297 HydrophobicContact CE1-CB 3.74Å; Y269-E297 HydrophobicContact CE1-CG 3.54Å; Y269-E297 HydrophobicContact CG-CB 4.11Å
270	N	90.5	Very high	94.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	18%	0.181	C	C	.	.	S	Bend	trans	-114.6	144.1	164.7	-67.6	-74.2	0	0	0	109.6	L239 R242 G243 I244 L267 S268 L272 C298	L239-N270 PolarHBondContact O-ND2 3.26Å; R242-N270 PolarHBondContact N-OD1 3.23Å; G243-N270 PolarHBondContact N-OD1 2.91Å; G243-N270 VanDerWaalsContact N-OD1 3.08Å; I244-N270 PolarHBondContact N-OD1 3.26Å; L267-N270 WeakPolarHBondContact O-CB 3.39Å; L267-N270 PolarHBondContact O-N 3.08Å; L267-N270 PolarHBondContact O-ND2 3.38Å; S268-N270 PolarHBondContact O-N 3.21Å; S268-N270 PolarHBondContact O-ND2 3.15Å; N270-L272 HydrophobicContact CB-CD2 4.14Å; N270-L272 HydrophobicContact CB-CG 4.43Å; N270-L272 PolarHBondContact O-N 3.43Å; N270-L272 VanDerWaalsContact O-N 3.12Å; N270-C298 WeakPolarHBondContact O-CA 3.34Å; N270-C298 WeakPolarHBondContact O-CB 3.36Å; N270-C298 PolarHBondContact O-SG 3.21Å; N270-C298 VanDerWaalsContact O-SG 3.33Å
271	V	84.6	Confident	94.3	Very high	98 Å²	98	33 Å²	33	59%	0.594	17%	0.173	S	C	*	.			trans	-79	101.3	173.6	-177.9	0	0	0	0	108.1
272	L	89.2	Confident	94.3	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	18%	0.179	C	C	.	.			trans	-97	102.5	179.5	-60	-178.8	0	0	0	109.4	L267 N270 L277 L295 C298	L267-L272 HydrophobicContact CB-CD1 4.24Å; L267-L272 HydrophobicContact CD1-CD1 4.3Å; N270-L272 HydrophobicContact CB-CD2 4.14Å; N270-L272 HydrophobicContact CB-CG 4.43Å; N270-L272 PolarHBondContact O-N 3.43Å; N270-L272 VanDerWaalsContact O-N 3.12Å; L272-L277 HydrophobicContact CB-CD2 4.05Å; L272-L277 HydrophobicContact CB-CG 4.21Å; L272-L277 HydrophobicContact CD1-CD2 4.04Å; L272-L295 HydrophobicContact CD1-CD2 3.82Å; L272-C298 HydrophobicContact CB-CB 4.47Å; L272-C298 HydrophobicContact CD1-CB 4.06Å; L272-C298 HydrophobicContact CG-CB 4.15Å; L272-C298 PolarHBondContact N-O 3.29Å
273	E	89.1	Confident	94.3	Very high	108 Å²	108	35.3 Å²	35.3	51%	0.505	18%	0.18	S	C	.	.			trans	-65.3	161.8	173.5	-62.9	-180	-175.2	0	0	111.2	N246 N275 S276 L277	N246-E273 PolarHBondContact ND2-OE2 2.85Å; E273-N275 PolarHBondContact O-N 3.22Å; E273-N275 VanDerWaalsContact O-N 3.13Å; E273-S276 WeakPolarHBondContact O-CA 3.49Å; E273-S276 WeakPolarHBondContact O-CB 3.17Å; E273-S276 PolarHBondContact O-N 3.01Å; E273-L277 PolarHBondContact O-N 3.37Å; E273-L277 VanDerWaalsContact O-N 3.16Å
274	V	92.8	Very high	94.2	Very high	60 Å²	60	34.3 Å²	34.3	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-50.8	-41.8	179.7	-179.6	0	0	0	0	111.8	S276 L277 S278 D303 E307	V274-S276 VanDerWaalsContact C-N 3.35Å; V274-S276 PolarHBondContact O-N 3.18Å; V274-L277 PolarHBondContact O-N 2.94Å; V274-L277 VanDerWaalsContact O-N 3.13Å; V274-S278 PolarHBondContact O-N 3.41Å; V274-D303 HydrophobicContact CG2-CB 4.06Å; V274-E307 HydrophobicContact CG1-CG 3.45Å; V274-E307 VanDerWaalsContact CG1-CG 3.45Å
275	N	92.4	Very high	94	Very high	101 Å²	101	39 Å²	39	54%	0.54	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-39.9	175.8	-71.8	-26.3	0	0	0	112.9	E273 L277 S278 F279	E273-N275 PolarHBondContact O-N 3.22Å; E273-N275 VanDerWaalsContact O-N 3.13Å; N275-L277 VanDerWaalsContact C-N 3.29Å; N275-L277 PolarHBondContact O-N 3.01Å; N275-S278 PolarHBondContact O-N 3.41Å; N275-S278 PolarHBondContact O-OG 3.39Å; N275-F279 VanDerWaalsContact O-CD2 3.24Å; N275-F279 WeakPolarHBondContact O-CD2 3.46Å; N275-F279 WeakPolarHBondContact O-CE2 3.4Å
276	S	92.8	Very high	93.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-41.5	174.6	-65.8	0	0	0	0	111.5	N246 I249 E273 V274 F279 L280	N246-S276 PolarHBondContact OD1-OG 2.86Å; I249-S276 WeakPolarHBondContact CG2-OG 3.49Å; E273-S276 WeakPolarHBondContact O-CA 3.49Å; E273-S276 WeakPolarHBondContact O-CB 3.17Å; E273-S276 PolarHBondContact O-N 3.01Å; V274-S276 VanDerWaalsContact C-N 3.35Å; V274-S276 PolarHBondContact O-N 3.18Å; S276-F279 PolarHBondContact O-N 3.28Å; S276-L280 PolarHBondContact O-N 3.1Å
277	L	94.9	Very high	93.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-30.3	-179	-63.1	167.5	0	0	0	112.3	L272 E273 V274 N275 F279 L280 S281 L300 E307 L308	L272-L277 HydrophobicContact CB-CD2 4.05Å; L272-L277 HydrophobicContact CB-CG 4.21Å; L272-L277 HydrophobicContact CD1-CD2 4.04Å; E273-L277 PolarHBondContact O-N 3.37Å; E273-L277 VanDerWaalsContact O-N 3.16Å; V274-L277 PolarHBondContact O-N 2.94Å; V274-L277 VanDerWaalsContact O-N 3.13Å; N275-L277 VanDerWaalsContact C-N 3.29Å; N275-L277 PolarHBondContact O-N 3.01Å; L277-F279 VanDerWaalsContact C-N 3.27Å; L277-F279 PolarHBondContact O-N 3.43Å; L277-L280 HydrophobicContact CD2-CD2 4.31Å; L277-L280 PolarHBondContact O-N 3.01Å; L277-S281 WeakPolarHBondContact O-CB 3.35Å; L277-S281 PolarHBondContact O-N 2.9Å; L277-L300 HydrophobicContact CD1-CB 4.46Å; L277-L300 HydrophobicContact CD1-CG 3.95Å; L277-L300 HydrophobicContact CD2-CG 4.34Å; L277-E307 HydrophobicContact CB-CB 4.09Å; L277-L308 HydrophobicContact CB-CD2 4.22Å; L277-L308 HydrophobicContact CB-CG 4.44Å; L277-L308 HydrophobicContact CD2-CD1 4.08Å; L277-L308 HydrophobicContact CD2-CD2 4.43Å; L277-L308 HydrophobicContact CD2-CG 4.39Å; L277-L308 WeakPolarHBondContact O-CD2 3.14Å
278	S	95.3	Very high	93.8	Very high	30 Å²	30	47 Å²	47	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-33.2	171.3	81.9	0	0	0	0	112.8	V274 N275 K282	V274-S278 PolarHBondContact O-N 3.41Å; N275-S278 PolarHBondContact O-N 3.41Å; N275-S278 PolarHBondContact O-OG 3.39Å; S278-K282 PolarHBondContact O-N 2.8Å
279	F	95.3	Very high	93.8	Very high	36 Å²	36	50.8 Å²	50.8	16%	0.158	26%	0.255	C	S	.	.	H	α-helix	trans	-73.8	-38.8	174	-56.5	-55.7	0	0	0	111.6	I249 K250 T253 N275 S276 L277 S281 K282 V283	I249-F279 HydrophobicContact CG2-CD2 4.4Å; K250-F279 HydrophobicContact CB-CD1 4.47Å; K250-F279 HydrophobicContact CB-CD2 3.74Å; K250-F279 HydrophobicContact CB-CE1 4.4Å; K250-F279 HydrophobicContact CB-CE2 3.66Å; K250-F279 HydrophobicContact CB-CG 4.17Å; K250-F279 HydrophobicContact CB-CZ 4.02Å; K250-F279 HydrophobicContact CD-CE1 3.97Å; K250-F279 HydrophobicContact CD-CE2 4.19Å; K250-F279 HydrophobicContact CD-CZ 3.71Å; K250-F279 HydrophobicContact CG-CD1 4.02Å; K250-F279 HydrophobicContact CG-CD2 4.17Å; K250-F279 HydrophobicContact CG-CE1 3.81Å; K250-F279 HydrophobicContact CG-CE2 3.97Å; K250-F279 HydrophobicContact CG-CG 4.22Å; K250-F279 HydrophobicContact CG-CZ 3.79Å; T253-F279 HydrophobicContact CG2-CB 4.28Å; T253-F279 WeakPolarHBondContact OG1-CB 3.39Å; N275-F279 VanDerWaalsContact O-CD2 3.24Å; N275-F279 WeakPolarHBondContact O-CD2 3.46Å; N275-F279 WeakPolarHBondContact O-CE2 3.4Å; S276-F279 PolarHBondContact O-N 3.28Å; L277-F279 VanDerWaalsContact C-N 3.27Å; L277-F279 PolarHBondContact O-N 3.43Å; F279-S281 VanDerWaalsContact C-N 3.33Å; F279-K282 WeakPolarHBondContact O-CB 3.44Å; F279-K282 PolarHBondContact O-N 2.89Å; F279-V283 PolarHBondContact O-N 3.41Å
280	L	96	Very high	94	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-37.8	174.6	-174.5	63	0	0	0	111.9	L265 L267 S276 L277 K282 V283 L284 L293 L295 L308	L265-L280 HydrophobicContact CD2-CD1 4.05Å; L267-L280 HydrophobicContact CD1-CD1 4.21Å; L267-L280 HydrophobicContact CD1-CD2 4.18Å; S276-L280 PolarHBondContact O-N 3.1Å; L277-L280 HydrophobicContact CD2-CD2 4.31Å; L277-L280 PolarHBondContact O-N 3.01Å; L280-K282 VanDerWaalsContact C-N 3.26Å; L280-K282 PolarHBondContact O-N 3.4Å; L280-V283 HydrophobicContact CD1-CB 4.42Å; L280-V283 WeakPolarHBondContact O-CA 3.49Å; L280-V283 WeakPolarHBondContact O-CB 3.42Å; L280-V283 PolarHBondContact O-N 3.35Å; L280-L284 WeakPolarHBondContact O-CG 3.23Å; L280-L284 PolarHBondContact O-N 2.93Å; L280-L293 HydrophobicContact CD1-CD1 4.35Å; L280-L293 HydrophobicContact CD2-CD1 4.36Å; L280-L293 HydrophobicContact CD2-CD2 4.45Å; L280-L295 HydrophobicContact CD2-CD1 4.04Å; L280-L295 HydrophobicContact CD2-CD2 3.75Å; L280-L308 HydrophobicContact CB-CD2 4.18Å; L280-L308 HydrophobicContact CD2-CD1 4.38Å; L280-L308 HydrophobicContact CD2-CD2 4.23Å; L280-L308 HydrophobicContact CG-CD2 4.24Å
281	S	96.4	Very high	94.4	Very high	19 Å²	19	50.2 Å²	50.2	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-53.7	-41.9	172.6	144.5	0	0	0	0	111.6	L277 F279 V283 L284 K285 D311	L277-S281 WeakPolarHBondContact O-CB 3.35Å; L277-S281 PolarHBondContact O-N 2.9Å; F279-S281 VanDerWaalsContact C-N 3.33Å; S281-V283 VanDerWaalsContact C-N 3.32Å; S281-V283 PolarHBondContact O-N 2.55Å; S281-L284 PolarHBondContact O-N 3.48Å; S281-L284 VanDerWaalsContact O-N 3.16Å; S281-K285 WeakPolarHBondContact O-CB 3.48Å; S281-K285 PolarHBondContact O-N 2.63Å; S281-D311 WeakPolarHBondContact CB-OD2 3.13Å; S281-D311 PolarHBondContact OG-OD2 3.34Å
282	K	95.8	Very high	95.1	Very high	83 Å²	83	46.3 Å²	46.3	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-39.2	174	-62	177.9	-174.9	177	0	112.6	S278 F279 L280 K285 E286	S278-K282 PolarHBondContact O-N 2.8Å; F279-K282 WeakPolarHBondContact O-CB 3.44Å; F279-K282 PolarHBondContact O-N 2.89Å; L280-K282 VanDerWaalsContact C-N 3.26Å; L280-K282 PolarHBondContact O-N 3.4Å; K282-K285 PolarHBondContact O-N 3.01Å; K282-E286 WeakPolarHBondContact O-CB 3.27Å; K282-E286 WeakPolarHBondContact O-CG 3.3Å; K282-E286 PolarHBondContact O-N 3.45Å
283	V	96.5	Very high	95.5	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-45.2	174.6	-178.7	0	0	0	0	110.1	T253 L256 R257 F279 L280 S281 K285 E286 N287 I290	T253-V283 HydrophobicContact CG2-CG2 3.88Å; T253-V283 WeakPolarHBondContact O-CG2 3.5Å; L256-V283 HydrophobicContact CB-CG1 4.08Å; L256-V283 HydrophobicContact CB-CG2 4.18Å; R257-V283 HydrophobicContact CG-CG2 4.07Å; F279-V283 PolarHBondContact O-N 3.41Å; L280-V283 HydrophobicContact CD1-CB 4.42Å; L280-V283 WeakPolarHBondContact O-CA 3.49Å; L280-V283 WeakPolarHBondContact O-CB 3.42Å; L280-V283 PolarHBondContact O-N 3.35Å; S281-V283 VanDerWaalsContact C-N 3.32Å; S281-V283 PolarHBondContact O-N 2.55Å; V283-K285 PolarHBondContact O-N 3.44Å; V283-E286 PolarHBondContact O-N 2.97Å; V283-N287 HydrophobicContact CG1-CB 3.79Å; V283-N287 WeakPolarHBondContact O-CA 3.48Å; V283-N287 WeakPolarHBondContact O-CB 3.47Å; V283-N287 PolarHBondContact O-N 2.81Å; V283-I290 HydrophobicContact CG1-CD1 3.7Å
284	L	96.3	Very high	95.9	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-29.1	177.9	-63	-179.9	0	0	0	113.5	L280 S281 L293 L308 D311 L312 N315 I318	L280-L284 WeakPolarHBondContact O-CG 3.23Å; L280-L284 PolarHBondContact O-N 2.93Å; S281-L284 PolarHBondContact O-N 3.48Å; S281-L284 VanDerWaalsContact O-N 3.16Å; L284-L293 HydrophobicContact CD2-CD2 3.91Å; L284-L308 HydrophobicContact CD1-CB 4.39Å; L284-L308 HydrophobicContact CD1-CD2 4.02Å; L284-D311 HydrophobicContact CB-CB 3.94Å; L284-L312 HydrophobicContact CD1-CD2 3.91Å; L284-L312 HydrophobicContact CD1-CG 4.09Å; L284-N315 PolarHBondContact O-ND2 3.41Å; L284-I318 HydrophobicContact CD2-CD1 4.28Å; L284-I318 HydrophobicContact CD2-CG1 4.07Å
285	K	95.1	Very high	96.2	Very high	155 Å²	155	39.3 Å²	39.3	67%	0.674	20%	0.196	S	C	*	.	H	α-helix	trans	-80.8	-37.1	178.8	-175.2	177.7	177.5	-178.8	0	113.4	S281 K282 V283	S281-K285 WeakPolarHBondContact O-CB 3.48Å; S281-K285 PolarHBondContact O-N 2.63Å; K282-K285 PolarHBondContact O-N 3.01Å; V283-K285 PolarHBondContact O-N 3.44Å
286	E	95	Very high	96.4	Very high	73 Å²	73	35 Å²	35	34%	0.341	17%	0.174	S	C	.	.	H	α-helix	trans	-107.5	-34.5	-169.2	-64.3	-178.1	-162.5	0	0	114.2	R257 H258 K282 V283	R257-E286 IonicContact CZ-OE1 2.76Å; R257-E286 IonicContact CZ-OE2 2.7Å; R257-E286 IonicContact NE-OE1 3.72Å; R257-E286 IonicContact NE-OE2 3.25Å; R257-E286 PolarHBondContact NE-OE2 3.24Å; R257-E286 VanDerWaalsContact NH2-CD 3.29Å; R257-E286 IonicContact NH2-OE1 3.85Å; R257-E286 PolarHBondContact NH2-OE1 3.02Å; R257-E286 VanDerWaalsContact NH2-OE1 3.09Å; R257-E286 IonicContact NH2-OE2 3.85Å; R257-E286 PolarHBondContact NH2-OE2 2.95Å; H258-E286 IonicContact CE1-OE2 2.82Å; K282-E286 WeakPolarHBondContact O-CB 3.27Å; K282-E286 WeakPolarHBondContact O-CG 3.3Å; K282-E286 PolarHBondContact O-N 3.45Å; V283-E286 PolarHBondContact O-N 2.97Å
287	N	96	Very high	96.5	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.032	19%	0.188	C	C	.	.			trans	-76.3	130.2	178.9	-174.6	-75.9	0	0	0	110	L256 N259 V283 F289 I290	L256-N287 PolarHBondContact O-ND2 3.19Å; N259-N287 PolarHBondContact O-ND2 2.94Å; V283-N287 HydrophobicContact CG1-CB 3.79Å; V283-N287 WeakPolarHBondContact O-CA 3.48Å; V283-N287 WeakPolarHBondContact O-CB 3.47Å; V283-N287 PolarHBondContact O-N 2.81Å; N287-F289 PolarHBondContact OD1-N 3.38Å; N287-I290 HydrophobicContact CB-CD1 4.44Å; N287-I290 WeakPolarHBondContact OD1-CG1 3.3Å; N287-I290 PolarHBondContact OD1-N 2.97Å
288	T	95.2	Very high	96.5	Very high	92 Å²	92	38 Å²	38	56%	0.564	19%	0.188	S	C	*	.	S	Bend	trans	-111.1	9.3	-178.7	57.1	0	0	0	0	114	T317	T288-T317 WeakPolarHBondContact O-CG2 3.38Å
289	F	96.9	Very high	96.3	Very high	86 Å²	86	41.7 Å²	41.7	38%	0.377	20%	0.2	S	C	.	.	S	Bend	trans	-112.9	-31.6	-172.9	-66.4	-90	0	0	0	113.4	T260 N287 Q291	T260-F289 HydrophobicContact CG2-CD2 4.2Å; T260-F289 HydrophobicContact CG2-CE2 3.61Å; T260-F289 HydrophobicContact CG2-CZ 3.83Å; T260-F289 WeakPolarHBondContact O-CD1 3.4Å; N287-F289 PolarHBondContact OD1-N 3.38Å; F289-Q291 PolarHBondContact O-N 3.35Å
290	I	98.1	Very high	96.3	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.036	19%	0.194	C	C	.	.			trans	-66.3	125.1	177.6	-60.3	168.6	0	0	0	109	I262 L265 V283 N287 T292 T317 I318	I262-I290 HydrophobicContact CG2-CG1 4.44Å; I262-I290 WeakPolarHBondContact O-CG1 3.29Å; L265-I290 HydrophobicContact CB-CD1 4.43Å; L265-I290 HydrophobicContact CB-CG2 4.21Å; L265-I290 HydrophobicContact CD2-CD1 4.25Å; V283-I290 HydrophobicContact CG1-CD1 3.7Å; N287-I290 HydrophobicContact CB-CD1 4.44Å; N287-I290 WeakPolarHBondContact OD1-CG1 3.3Å; N287-I290 PolarHBondContact OD1-N 2.97Å; I290-T292 WeakPolarHBondContact CG2-O 3.49Å; I290-T317 CarbonylContact O-C 3.57Å; I290-T317 VanDerWaalsContact O-CB 3.3Å; I290-T317 WeakPolarHBondContact O-CB 3.35Å; I290-T317 PolarHBondContact O-OG1 2.86Å; I290-I318 HydrophobicContact CB-CD1 4.19Å; I290-I318 HydrophobicContact CG2-CD1 3.59Å; I290-I318 WeakPolarHBondContact O-CD1 3.34Å
291	Q	98.4	Very high	96.2	Very high	76 Å²	76	47.3 Å²	47.3	36%	0.355	22%	0.221	S	C	.	.			trans	-116.6	-23.7	-180	-63.2	-179.9	32.8	0	0	112.7	T263 F289 T317 K319 N320	T263-Q291 PolarHBondContact O-N 3.34Å; F289-Q291 PolarHBondContact O-N 3.35Å; Q291-T317 WeakPolarHBondContact CA-O 3.47Å; Q291-K319 PolarHBondContact O-N 2.89Å; Q291-N320 PolarHBondContact O-N 3.11Å
292	T	98.7	Very high	96.2	Very high	16 Å²	16	50.2 Å²	50.2	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.2	176.2	-56.3	0	0	0	0	109.9	T263 W264 L265 I290 L294 N320	T263-T292 PolarHBondContact O-N 3.1Å; W264-T292 VanDerWaalsContact CD1-CB 3.41Å; W264-T292 HydrophobicContact CG-CG2 4.19Å; L265-T292 PolarHBondContact N-O 3.36Å; I290-T292 WeakPolarHBondContact CG2-O 3.49Å; T292-L294 HydrophobicContact CG2-CD2 3.73Å; T292-L294 HydrophobicContact CG2-CG 4.08Å; T292-N320 WeakPolarHBondContact CA-O 3.3Å; T292-N320 HydrophobicContact CG2-CB 3.77Å; T292-N320 PolarHBondContact OG1-ND2 2.91Å
293	L	98.4	Very high	96.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.9	175.7	177.7	67.2	0	0	0	109.5	L265 L280 L284 L295 I318 N320 L321 D322	L265-L293 HydrophobicContact CB-CD1 4.38Å; L265-L293 HydrophobicContact CD2-CD1 3.92Å; L265-L293 HydrophobicContact CG-CD1 4.22Å; L265-L293 WeakPolarHBondContact O-CA 3.23Å; L280-L293 HydrophobicContact CD1-CD1 4.35Å; L280-L293 HydrophobicContact CD2-CD1 4.36Å; L280-L293 HydrophobicContact CD2-CD2 4.45Å; L284-L293 HydrophobicContact CD2-CD2 3.91Å; L293-L295 HydrophobicContact CD1-CD2 4.22Å; L293-L295 HydrophobicContact CD1-CG 4.25Å; L293-L295 HydrophobicContact CD2-CD1 3.83Å; L293-L295 HydrophobicContact CD2-CG 4.25Å; L293-L295 HydrophobicContact CG-CD1 4.13Å; L293-L295 HydrophobicContact CG-CD2 4.48Å; L293-L295 HydrophobicContact CG-CG 3.98Å; L293-I318 HydrophobicContact CB-CD1 4.01Å; L293-I318 HydrophobicContact CB-CG2 4.44Å; L293-N320 PolarHBondContact N-O 2.59Å; L293-L321 HydrophobicContact CB-CD1 4.16Å; L293-L321 HydrophobicContact CD2-CD1 3.85Å; L293-L321 HydrophobicContact CG-CD1 4.16Å; L293-L321 WeakPolarHBondContact O-CA 3.47Å; L293-D322 PolarHBondContact O-N 2.89Å
294	L	98.3	Very high	96.2	Very high	27 Å²	27	51 Å²	51	14%	0.141	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.7	176.9	-47.9	-177.4	0	0	0	110	W264 L265 D266 L267 S268 T292 D322	W264-L294 HydrophobicContact CH2-CD1 4.06Å; W264-L294 HydrophobicContact CZ2-CD1 3.27Å; W264-L294 HydrophobicContact CZ2-CG 4.33Å; L265-L294 PolarHBondContact O-N 2.7Å; D266-L294 HydrophobicContact CB-CB 4.04Å; D266-L294 HydrophobicContact CB-CD1 4.03Å; D266-L294 HydrophobicContact CB-CG 4.3Å; L267-L294 PolarHBondContact N-O 3.37Å; S268-L294 WeakPolarHBondContact OG-CB 3.31Å; T292-L294 HydrophobicContact CG2-CD2 3.73Å; T292-L294 HydrophobicContact CG2-CG 4.08Å; L294-D322 HydrophobicContact CB-CB 4.35Å; L294-D322 HydrophobicContact CD2-CB 3.54Å
295	L	97.4	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.236	C	C	.	.			trans	-125.6	24.9	179.5	-61	172.7	0	0	0	111	L267 L272 L280 L293 E297 C298 L300 L308 D322 L323 C326	L267-L295 HydrophobicContact CB-CD2 4.04Å; L267-L295 HydrophobicContact CD1-CD2 4.03Å; L272-L295 HydrophobicContact CD1-CD2 3.82Å; L280-L295 HydrophobicContact CD2-CD1 4.04Å; L280-L295 HydrophobicContact CD2-CD2 3.75Å; L293-L295 HydrophobicContact CD1-CD2 4.22Å; L293-L295 HydrophobicContact CD1-CG 4.25Å; L293-L295 HydrophobicContact CD2-CD1 3.83Å; L293-L295 HydrophobicContact CD2-CG 4.25Å; L293-L295 HydrophobicContact CG-CD1 4.13Å; L293-L295 HydrophobicContact CG-CD2 4.48Å; L293-L295 HydrophobicContact CG-CG 3.98Å; L295-E297 PolarHBondContact O-N 2.89Å; L295-C298 VanDerWaalsContact O-CB 3.26Å; L295-C298 WeakPolarHBondContact O-CB 3.45Å; L295-C298 PolarHBondContact O-N 3.48Å; L295-C298 PolarHBondContact O-SG 3.29Å; L295-C298 VanDerWaalsContact O-SG 3.38Å; L295-L300 HydrophobicContact CB-CD1 4.4Å; L295-L300 HydrophobicContact CD1-CD2 4.31Å; L295-L308 HydrophobicContact CD1-CD1 3.67Å; L295-D322 CarbonylContact C-O 3.51Å; L295-D322 WeakPolarHBondContact CA-O 3.22Å; L295-D322 PolarHBondContact N-O 3.36Å; L295-L323 HydrophobicContact CB-CD2 4.16Å; L295-L323 HydrophobicContact CD1-CD2 3.94Å; L295-C326 PolarHBondContact O-SG 3.16Å
296	S	97.3	Very high	96.3	Very high	11 Å²	11	47.4 Å²	47.4	8%	0.077	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.4	-176.6	-178.1	0	0	0	0	110.7	S268 Y269 C298 S324	S268-S296 CarbonylContact C-O 3.54Å; S268-S296 WeakPolarHBondContact CA-O 3.08Å; S268-S296 VanDerWaalsContact CB-O 3.3Å; S268-S296 WeakPolarHBondContact CB-O 3.1Å; S268-S296 PolarHBondContact OG-N 3.46Å; Y269-S296 PolarHBondContact N-O 3.14Å; S296-C298 PolarHBondContact O-N 3.43Å; S296-S324 CarbonylContact C-O 3.54Å; S296-S324 VanDerWaalsContact CA-O 3.25Å; S296-S324 WeakPolarHBondContact CA-O 3.3Å; S296-S324 WeakPolarHBondContact CB-OG 3.45Å; S296-S324 PolarHBondContact OG-O 3.47Å; S296-S324 PolarHBondContact OG-OG 3.37Å
297	E	95.3	Very high	96.4	Very high	66 Å²	66	47.6 Å²	47.6	31%	0.308	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	30.9	175.9	-59.2	-79.9	173.6	0	0	113.4	Y269 L295 S324 G325	Y269-E297 HydrophobicContact CD1-CB 3.52Å; Y269-E297 HydrophobicContact CD1-CG 3.91Å; Y269-E297 HydrophobicContact CE1-CB 3.74Å; Y269-E297 HydrophobicContact CE1-CG 3.54Å; Y269-E297 HydrophobicContact CG-CB 4.11Å; L295-E297 PolarHBondContact O-N 2.89Å; E297-S324 PolarHBondContact N-O 3.19Å; E297-G325 WeakPolarHBondContact CA-O 3.17Å
298	C	94.4	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.			trans	-94.7	4.4	178.9	-70.1	0	0	0	0	115.3	L267 N270 L272 L295 S296 L300	L267-C298 PolarHBondContact O-SG 3.28Å; N270-C298 WeakPolarHBondContact O-CA 3.34Å; N270-C298 WeakPolarHBondContact O-CB 3.36Å; N270-C298 PolarHBondContact O-SG 3.21Å; N270-C298 VanDerWaalsContact O-SG 3.33Å; L272-C298 HydrophobicContact CB-CB 4.47Å; L272-C298 HydrophobicContact CD1-CB 4.06Å; L272-C298 HydrophobicContact CG-CB 4.15Å; L272-C298 PolarHBondContact N-O 3.29Å; L295-C298 VanDerWaalsContact O-CB 3.26Å; L295-C298 WeakPolarHBondContact O-CB 3.45Å; L295-C298 PolarHBondContact O-N 3.48Å; L295-C298 PolarHBondContact O-SG 3.29Å; L295-C298 VanDerWaalsContact O-SG 3.38Å; S296-C298 PolarHBondContact O-N 3.43Å; C298-L300 VanDerWaalsContact C-N 3.32Å; C298-L300 HydrophobicContact CB-CD1 3.4Å; C298-L300 PolarHBondContact O-N 2.92Å
299	K	91.2	Very high	96.6	Very high	107 Å²	107	44.4 Å²	44.4	47%	0.465	20%	0.204	S	C	.	.			trans	50.8	43.5	178.3	-59	-173.1	177.3	-176.5	0	114.7	R301	K299-R301 PolarHBondContact O-N 2.98Å
300	L	94.7	Very high	96.5	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	21%	0.21	C	C	.	.			trans	-56.3	-40.8	-179.6	-79.1	60.8	0	0	0	111.6	L277 L295 C298 G304 L308 L323 C326 L328	L277-L300 HydrophobicContact CD1-CB 4.46Å; L277-L300 HydrophobicContact CD1-CG 3.95Å; L277-L300 HydrophobicContact CD2-CG 4.34Å; L295-L300 HydrophobicContact CB-CD1 4.4Å; L295-L300 HydrophobicContact CD1-CD2 4.31Å; C298-L300 VanDerWaalsContact C-N 3.32Å; C298-L300 HydrophobicContact CB-CD1 3.4Å; C298-L300 PolarHBondContact O-N 2.92Å; L300-G304 WeakPolarHBondContact O-CA 3.11Å; L300-G304 PolarHBondContact O-N 2.91Å; L300-L308 HydrophobicContact CD2-CD1 4.25Å; L300-L323 HydrophobicContact CD2-CD2 3.9Å; L300-C326 HydrophobicContact CB-CB 4.24Å; L300-C326 HydrophobicContact CD1-CB 4.24Å; L300-C326 PolarHBondContact N-O 2.7Å; L300-L328 HydrophobicContact CB-CD2 4.3Å
301	R	94.9	Very high	96.4	Very high	151 Å²	151	45.7 Å²	45.7	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	54.3	-169.1	-166.4	-54.1	170.3	-176	152.1	-1.8	110.5	K299 L305 C326 D327 L328	K299-R301 PolarHBondContact O-N 2.98Å; R301-L305 PolarHBondContact O-N 2.92Å; R301-C326 PolarHBondContact N-O 2.83Å; R301-D327 WeakPolarHBondContact CA-O 3.17Å; R301-D327 HydrophobicContact CG-CB 4.16Å; R301-L328 WeakPolarHBondContact O-CD2 3.42Å
302	K	96.3	Very high	96.4	Very high	79 Å²	79	42.3 Å²	42.3	34%	0.343	20%	0.199	S	C	.	.	H	α-helix	trans	-61.1	-46.1	175.9	-175.3	178.7	178.7	166.1	0	112.6	G304 L305 M306 S331 S332 M335	K302-G304 PolarHBondContact O-N 3.34Å; K302-L305 PolarHBondContact O-N 3.45Å; K302-M306 PolarHBondContact O-N 3.22Å; K302-S331 WeakPolarHBondContact CE-O 3.31Å; K302-S331 PolarHBondContact NZ-O 3.47Å; K302-S332 WeakPolarHBondContact CA-OG 3.25Å; K302-M335 HydrophobicContact CG-CE 3.7Å
303	D	96.3	Very high	96.3	Very high	101 Å²	101	42.6 Å²	42.6	54%	0.54	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-40.7	-173.7	-58.2	-27.5	0	0	0	111.9	V274 M306 E307	V274-D303 HydrophobicContact CG2-CB 4.06Å; D303-M306 WeakPolarHBondContact O-CB 3.42Å; D303-M306 PolarHBondContact O-N 3.1Å; D303-E307 PolarHBondContact O-N 3.46Å
304	G	95.8	Very high	96.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-37.4	175.5	0	0	0	0	0	113.1	L300 K302 M306 E307	L300-G304 WeakPolarHBondContact O-CA 3.11Å; L300-G304 PolarHBondContact O-N 2.91Å; K302-G304 PolarHBondContact O-N 3.34Å; G304-M306 VanDerWaalsContact C-N 3.31Å; G304-E307 PolarHBondContact O-N 2.83Å
305	L	97.3	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-37.3	173	-178.1	62.3	0	0	0	111.4	R301 K302 E307 L308 Y309 L312 L323 L328 M335 L336 I339	R301-L305 PolarHBondContact O-N 2.92Å; K302-L305 PolarHBondContact O-N 3.45Å; L305-E307 VanDerWaalsContact C-N 3.28Å; L305-E307 PolarHBondContact O-N 3.01Å; L305-L308 PolarHBondContact O-N 2.99Å; L305-L308 VanDerWaalsContact O-N 3.11Å; L305-Y309 WeakPolarHBondContact O-CB 3.18Å; L305-Y309 PolarHBondContact O-N 3.25Å; L305-L312 HydrophobicContact CD1-CD1 4.31Å; L305-L323 HydrophobicContact CD1-CD1 4.08Å; L305-L328 HydrophobicContact CB-CD2 3.95Å; L305-L328 HydrophobicContact CD2-CD1 4.47Å; L305-L328 HydrophobicContact CD2-CD2 4.08Å; L305-M335 HydrophobicContact CB-CE 4.34Å; L305-M335 HydrophobicContact CD2-CB 4.33Å; L305-M335 HydrophobicContact CD2-CE 4.14Å; L305-M335 HydrophobicContact CG-CE 4.26Å; L305-L336 HydrophobicContact CD1-CD2 4.46Å; L305-L336 HydrophobicContact CD2-CD2 3.76Å; L305-L336 HydrophobicContact CD2-CG 3.88Å; L305-I339 HydrophobicContact CD1-CD1 4.43Å
306	M	97.1	Very high	96	Very high	90 Å²	90	54.1 Å²	54.1	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-36.5	178.1	-172.1	177.4	-68.9	0	0	112.4	K302 D303 G304 L308 Y309 M335	K302-M306 PolarHBondContact O-N 3.22Å; D303-M306 WeakPolarHBondContact O-CB 3.42Å; D303-M306 PolarHBondContact O-N 3.1Å; G304-M306 VanDerWaalsContact C-N 3.31Å; M306-L308 VanDerWaalsContact C-N 3.32Å; M306-L308 PolarHBondContact O-N 3.11Å; M306-Y309 WeakPolarHBondContact O-CB 3.31Å; M306-Y309 PolarHBondContact O-N 2.75Å; M306-M335 HydrophobicContact CB-CE 4.36Å; M306-M335 HydrophobicContact CB-SD 4.06Å; M306-M335 HydrophobicContact CE-SD 4.45Å; M306-M335 HydrophobicContact CG-SD 4.31Å
307	E	96.9	Very high	96	Very high	78 Å²	78	54.4 Å²	54.4	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-35.4	175.1	-71.7	-61.7	129.6	0	0	112.9	V274 L277 D303 G304 L305	V274-E307 HydrophobicContact CG1-CG 3.45Å; V274-E307 VanDerWaalsContact CG1-CG 3.45Å; L277-E307 HydrophobicContact CB-CB 4.09Å; D303-E307 PolarHBondContact O-N 3.46Å; G304-E307 PolarHBondContact O-N 2.83Å; L305-E307 VanDerWaalsContact C-N 3.28Å; L305-E307 PolarHBondContact O-N 3.01Å
308	L	97.3	Very high	96.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-86.8	-21.1	179.4	-58	-176.1	0	0	0	112.9	L277 L280 L284 L295 L300 L305 M306 N310 D311 L312	L277-L308 HydrophobicContact CB-CD2 4.22Å; L277-L308 HydrophobicContact CB-CG 4.44Å; L277-L308 HydrophobicContact CD2-CD1 4.08Å; L277-L308 HydrophobicContact CD2-CD2 4.43Å; L277-L308 HydrophobicContact CD2-CG 4.39Å; L277-L308 WeakPolarHBondContact O-CD2 3.14Å; L280-L308 HydrophobicContact CB-CD2 4.18Å; L280-L308 HydrophobicContact CD2-CD1 4.38Å; L280-L308 HydrophobicContact CD2-CD2 4.23Å; L280-L308 HydrophobicContact CG-CD2 4.24Å; L284-L308 HydrophobicContact CD1-CB 4.39Å; L284-L308 HydrophobicContact CD1-CD2 4.02Å; L295-L308 HydrophobicContact CD1-CD1 3.67Å; L300-L308 HydrophobicContact CD2-CD1 4.25Å; L305-L308 PolarHBondContact O-N 2.99Å; L305-L308 VanDerWaalsContact O-N 3.11Å; M306-L308 VanDerWaalsContact C-N 3.32Å; M306-L308 PolarHBondContact O-N 3.11Å; L308-N310 PolarHBondContact O-N 3.3Å; L308-D311 PolarHBondContact O-N 2.92Å; L308-L312 HydrophobicContact CB-CD1 3.77Å; L308-L312 HydrophobicContact CB-CG 4.15Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 WeakPolarHBondContact O-CG 2.96Å; L308-L312 PolarHBondContact O-N 3.13Å
309	Y	97.1	Very high	96.3	Very high	30 Å²	30	55.3 Å²	55.3	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-50.8	-53.9	-167.5	171.5	-110.3	0	0	0	114.4	L305 M306 D311 L312 I313 M335 E338 I339	L305-Y309 WeakPolarHBondContact O-CB 3.18Å; L305-Y309 PolarHBondContact O-N 3.25Å; M306-Y309 WeakPolarHBondContact O-CB 3.31Å; M306-Y309 PolarHBondContact O-N 2.75Å; Y309-D311 VanDerWaalsContact C-N 3.26Å; Y309-D311 PolarHBondContact O-N 3.11Å; Y309-L312 PolarHBondContact O-N 3.05Å; Y309-I313 HydrophobicContact CD1-CD1 4.37Å; Y309-I313 HydrophobicContact CD2-CD1 3.98Å; Y309-I313 HydrophobicContact CE1-CD1 3.76Å; Y309-I313 HydrophobicContact CE2-CD1 3.31Å; Y309-I313 HydrophobicContact CE2-CG1 4.16Å; Y309-I313 HydrophobicContact CG-CD1 4.48Å; Y309-I313 PolarHBondContact O-N 3.32Å; Y309-I313 WeakPolarHBondContact OH-CD1 3.1Å; Y309-M335 HydrophobicContact CD2-CB 3.56Å; Y309-M335 HydrophobicContact CD2-CG 3.78Å; Y309-M335 HydrophobicContact CD2-SD 4.14Å; Y309-M335 HydrophobicContact CE2-CB 3.59Å; Y309-M335 HydrophobicContact CE2-CG 3.79Å; Y309-M335 WeakPolarHBondContact CE2-O 3.15Å; Y309-M335 HydrophobicContact CG-CB 4.43Å; Y309-M335 HydrophobicContact CG-CG 4.24Å; Y309-M335 HydrophobicContact CG-SD 4.09Å; Y309-E338 HydrophobicContact CE2-CB 4.29Å; Y309-E338 WeakPolarHBondContact OH-CB 3.39Å; Y309-E338 WeakPolarHBondContact OH-CG 3.31Å; Y309-E338 PolarHBondContact OH-OE1 3.16Å; Y309-E338 PolarHBondContact OH-OE2 2.97Å; Y309-I339 HydrophobicContact CD2-CD1 4.01Å; Y309-I339 HydrophobicContact CD2-CG1 4.02Å; Y309-I339 HydrophobicContact CE2-CG1 4.19Å
310	N	95	Very high	96.7	Very high	95 Å²	95	52.6 Å²	52.6	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-34.8	-175.2	-78	-46.4	0	0	0	112.4	L308	L308-N310 PolarHBondContact O-N 3.3Å
311	D	96.4	Very high	96.9	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.134	25%	0.252	C	S	.	.	H	α-helix	trans	-83.2	-35.6	-179.6	-61.9	-54.7	0	0	0	110.9	S281 L284 L308 Y309 I313 K314 N315	S281-D311 WeakPolarHBondContact CB-OD2 3.13Å; S281-D311 PolarHBondContact OG-OD2 3.34Å; L284-D311 HydrophobicContact CB-CB 3.94Å; L308-D311 PolarHBondContact O-N 2.92Å; Y309-D311 VanDerWaalsContact C-N 3.26Å; Y309-D311 PolarHBondContact O-N 3.11Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 3.39Å; D311-K314 CarbonylContact O-C 3.56Å; D311-K314 PolarHBondContact O-N 3.03Å; D311-N315 WeakPolarHBondContact O-CA 3.45Å; D311-N315 WeakPolarHBondContact O-CB 3.09Å; D311-N315 PolarHBondContact O-N 3.04Å
312	L	97.3	Very high	97.1	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-38.8	173.7	-74.6	174.4	0	0	0	112.6	L284 L305 L308 Y309 K314 L321 I339 N343	L284-L312 HydrophobicContact CD1-CD2 3.91Å; L284-L312 HydrophobicContact CD1-CG 4.09Å; L305-L312 HydrophobicContact CD1-CD1 4.31Å; L308-L312 HydrophobicContact CB-CD1 3.77Å; L308-L312 HydrophobicContact CB-CG 4.15Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 WeakPolarHBondContact O-CG 2.96Å; L308-L312 PolarHBondContact O-N 3.13Å; Y309-L312 PolarHBondContact O-N 3.05Å; L312-K314 VanDerWaalsContact C-N 3.3Å; L312-K314 PolarHBondContact O-N 2.89Å; L312-L321 HydrophobicContact CD1-CD2 4.16Å; L312-L321 HydrophobicContact CD2-CD2 3.98Å; L312-I339 HydrophobicContact CB-CD1 4.13Å; L312-I339 HydrophobicContact CB-CG1 4.29Å; L312-I339 HydrophobicContact CD1-CD1 4.08Å; L312-N343 PolarHBondContact O-ND2 3.46Å
313	I	96.7	Very high	97.2	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-40.2	175.6	-77.5	171.5	0	0	0	111.9	Y309 D311 E338 I339 M342	Y309-I313 HydrophobicContact CD1-CD1 4.37Å; Y309-I313 HydrophobicContact CD2-CD1 3.98Å; Y309-I313 HydrophobicContact CE1-CD1 3.76Å; Y309-I313 HydrophobicContact CE2-CD1 3.31Å; Y309-I313 HydrophobicContact CE2-CG1 4.16Å; Y309-I313 HydrophobicContact CG-CD1 4.48Å; Y309-I313 PolarHBondContact O-N 3.32Å; Y309-I313 WeakPolarHBondContact OH-CD1 3.1Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 3.39Å; I313-E338 HydrophobicContact CD1-CB 4.4Å; I313-E338 HydrophobicContact CD1-CG 3.91Å; I313-I339 HydrophobicContact CG1-CG1 3.86Å; I313-M342 HydrophobicContact CG1-CB 4.49Å; I313-M342 HydrophobicContact CG2-CB 3.69Å; I313-M342 HydrophobicContact CG2-CG 4.41Å
314	K	95.6	Very high	97.3	Very high	152 Å²	152	38.1 Å²	38.1	66%	0.661	19%	0.191	S	C	*	.	H	α-helix	trans	-94.6	-11	-173.1	-64.1	173.3	-173.1	165.1	0	113.2	D311 L312 V316	D311-K314 CarbonylContact O-C 3.56Å; D311-K314 PolarHBondContact O-N 3.03Å; L312-K314 VanDerWaalsContact C-N 3.3Å; L312-K314 PolarHBondContact O-N 2.89Å; K314-V316 PolarHBondContact O-N 2.97Å
315	N	96.8	Very high	97.3	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	19%	0.193	C	C	.	.			trans	-66	135.2	-174.8	-178.6	-81.1	0	0	0	110.4	L284 D311 T317 I318 N343	L284-N315 PolarHBondContact O-ND2 3.41Å; D311-N315 WeakPolarHBondContact O-CA 3.45Å; D311-N315 WeakPolarHBondContact O-CB 3.09Å; D311-N315 PolarHBondContact O-N 3.04Å; N315-T317 PolarHBondContact ND2-OG1 2.99Å; N315-T317 PolarHBondContact OD1-N 2.94Å; N315-T317 PolarHBondContact OD1-OG1 3.29Å; N315-I318 WeakPolarHBondContact OD1-CB 3.25Å; N315-I318 WeakPolarHBondContact OD1-CG1 3.35Å; N315-I318 PolarHBondContact OD1-N 2.89Å; N315-N343 PolarHBondContact O-ND2 3.39Å; N315-N343 VanDerWaalsContact O-ND2 3.16Å
316	V	96.3	Very high	97.3	Very high	107 Å²	107	38.3 Å²	38.3	65%	0.648	19%	0.193	S	C	*	.	S	Bend	trans	-112.8	11	-174.5	-61.6	0	0	0	0	113.2	K314 V345	K314-V316 PolarHBondContact O-N 2.97Å; V316-V345 HydrophobicContact CB-CG2 4.4Å
317	T	97.3	Very high	97.2	Very high	17 Å²	17	37 Å²	37	10%	0.104	19%	0.188	C	C	.	.	S	Bend	trans	-127.6	-39	-169.7	65.5	0	0	0	0	113.8	T288 I290 Q291 N315 K319	T288-T317 WeakPolarHBondContact O-CG2 3.38Å; I290-T317 CarbonylContact O-C 3.57Å; I290-T317 VanDerWaalsContact O-CB 3.3Å; I290-T317 WeakPolarHBondContact O-CB 3.35Å; I290-T317 PolarHBondContact O-OG1 2.86Å; Q291-T317 WeakPolarHBondContact CA-O 3.47Å; N315-T317 PolarHBondContact ND2-OG1 2.99Å; N315-T317 PolarHBondContact OD1-N 2.94Å; N315-T317 PolarHBondContact OD1-OG1 3.29Å; T317-K319 PolarHBondContact O-N 3.25Å
318	I	98.3	Very high	97.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.171	C	C	.	.			trans	-68	110.6	178.5	-57.7	-63.7	0	0	0	109.4	L284 I290 L293 N315 L321 L346	L284-I318 HydrophobicContact CD2-CD1 4.28Å; L284-I318 HydrophobicContact CD2-CG1 4.07Å; I290-I318 HydrophobicContact CB-CD1 4.19Å; I290-I318 HydrophobicContact CG2-CD1 3.59Å; I290-I318 WeakPolarHBondContact O-CD1 3.34Å; L293-I318 HydrophobicContact CB-CD1 4.01Å; L293-I318 HydrophobicContact CB-CG2 4.44Å; N315-I318 WeakPolarHBondContact OD1-CB 3.25Å; N315-I318 WeakPolarHBondContact OD1-CG1 3.35Å; N315-I318 PolarHBondContact OD1-N 2.89Å; I318-L321 HydrophobicContact CG2-CB 4.23Å; I318-L346 HydrophobicContact CG2-CD1 4.28Å
319	K	98.4	Very high	97.2	Very high	82 Å²	82	34.2 Å²	34.2	36%	0.357	18%	0.179	S	C	.	.			trans	-97.1	-28.7	175.7	-67.6	173.5	-172.7	165.3	0	112	Q291 T317 V345 T347 Y348	Q291-K319 PolarHBondContact O-N 2.89Å; T317-K319 PolarHBondContact O-N 3.25Å; K319-V345 HydrophobicContact CG-CG1 3.91Å; K319-T347 PolarHBondContact O-N 2.88Å; K319-T347 PolarHBondContact O-OG1 3.48Å; K319-Y348 PolarHBondContact O-N 3.35Å
320	N	98.7	Very high	97.3	Very high	51 Å²	51	35.2 Å²	35.2	27%	0.273	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115	-175.2	-58.3	-33.9	0	0	0	109.3	Q291 T292 L293 Y348	Q291-N320 PolarHBondContact O-N 3.11Å; T292-N320 WeakPolarHBondContact CA-O 3.3Å; T292-N320 HydrophobicContact CG2-CB 3.77Å; T292-N320 PolarHBondContact OG1-ND2 2.91Å; L293-N320 PolarHBondContact N-O 2.59Å; N320-Y348 HydrophobicContact CB-CD1 4.02Å; N320-Y348 WeakPolarHBondContact OD1-CB 3.12Å
321	L	98.6	Very high	97.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.5	179.7	-179	60.2	0	0	0	110	L293 L312 I318 L323 L346 Y348 L349 N350	L293-L321 HydrophobicContact CB-CD1 4.16Å; L293-L321 HydrophobicContact CD2-CD1 3.85Å; L293-L321 HydrophobicContact CG-CD1 4.16Å; L293-L321 WeakPolarHBondContact O-CA 3.47Å; L312-L321 HydrophobicContact CD1-CD2 4.16Å; L312-L321 HydrophobicContact CD2-CD2 3.98Å; I318-L321 HydrophobicContact CG2-CB 4.23Å; L321-L323 HydrophobicContact CD1-CD2 4.04Å; L321-L323 HydrophobicContact CD1-CG 4.23Å; L321-L323 HydrophobicContact CD2-CD1 3.98Å; L321-L323 HydrophobicContact CD2-CG 4.17Å; L321-L323 HydrophobicContact CG-CD1 4.31Å; L321-L323 HydrophobicContact CG-CD2 4.3Å; L321-L323 HydrophobicContact CG-CG 3.94Å; L321-L346 HydrophobicContact CB-CD1 3.66Å; L321-Y348 PolarHBondContact N-O 3.43Å; L321-L349 HydrophobicContact CB-CD1 4.17Å; L321-L349 HydrophobicContact CD2-CD1 4.05Å; L321-L349 HydrophobicContact CG-CD1 4.14Å; L321-L349 WeakPolarHBondContact O-CA 3.48Å; L321-N350 PolarHBondContact O-N 3.27Å
322	D	98.7	Very high	97.4	Very high	21 Å²	21	32.7 Å²	32.7	11%	0.112	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.7	173.2	-163.3	-32.5	0	0	0	110.9	L293 L294 L295 S324 N350	L293-D322 PolarHBondContact O-N 2.89Å; L294-D322 HydrophobicContact CB-CB 4.35Å; L294-D322 HydrophobicContact CD2-CB 3.54Å; L295-D322 CarbonylContact C-O 3.51Å; L295-D322 WeakPolarHBondContact CA-O 3.22Å; L295-D322 PolarHBondContact N-O 3.36Å; D322-S324 VanDerWaalsContact OD1-CB 3.26Å; D322-S324 WeakPolarHBondContact OD1-CB 3.27Å; D322-S324 PolarHBondContact OD1-N 3.05Å; D322-S324 PolarHBondContact OD1-OG 2.68Å; D322-N350 HydrophobicContact CB-CB 4.21Å; D322-N350 PolarHBondContact OD1-ND2 2.88Å; D322-N350 PolarHBondContact OD2-ND2 3.18Å
323	L	98.5	Very high	97.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.177	C	C	.	.			trans	-118.7	24.7	175.5	-58.7	176.8	0	0	0	110.9	L295 L300 L305 L321 C326 L328 L336 N350 L351 N354	L295-L323 HydrophobicContact CB-CD2 4.16Å; L295-L323 HydrophobicContact CD1-CD2 3.94Å; L300-L323 HydrophobicContact CD2-CD2 3.9Å; L305-L323 HydrophobicContact CD1-CD1 4.08Å; L321-L323 HydrophobicContact CD1-CD2 4.04Å; L321-L323 HydrophobicContact CD1-CG 4.23Å; L321-L323 HydrophobicContact CD2-CD1 3.98Å; L321-L323 HydrophobicContact CD2-CG 4.17Å; L321-L323 HydrophobicContact CG-CD1 4.31Å; L321-L323 HydrophobicContact CG-CD2 4.3Å; L321-L323 HydrophobicContact CG-CG 3.94Å; L323-C326 WeakPolarHBondContact O-CB 3.42Å; L323-C326 PolarHBondContact O-SG 3.36Å; L323-L328 HydrophobicContact CB-CD1 4.19Å; L323-L328 HydrophobicContact CD1-CD1 4.4Å; L323-L336 HydrophobicContact CD1-CD2 4.08Å; L323-N350 CarbonylContact C-O 3.52Å; L323-N350 WeakPolarHBondContact CA-O 3.39Å; L323-N350 PolarHBondContact N-O 3.28Å; L323-L351 HydrophobicContact CB-CD2 4.15Å; L323-L351 HydrophobicContact CD1-CD2 4.31Å; L323-N354 PolarHBondContact O-ND2 3.02Å; L323-N354 PolarHBondContact O-OD1 3.48Å
324	S	98.4	Very high	97.5	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.063	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	146	179.9	56.8	0	0	0	0	111.8	S296 E297 D322 C326 N350 A352	S296-S324 CarbonylContact C-O 3.54Å; S296-S324 VanDerWaalsContact CA-O 3.25Å; S296-S324 WeakPolarHBondContact CA-O 3.3Å; S296-S324 WeakPolarHBondContact CB-OG 3.45Å; S296-S324 PolarHBondContact OG-O 3.47Å; S296-S324 PolarHBondContact OG-OG 3.37Å; E297-S324 PolarHBondContact N-O 3.19Å; D322-S324 VanDerWaalsContact OD1-CB 3.26Å; D322-S324 WeakPolarHBondContact OD1-CB 3.27Å; D322-S324 PolarHBondContact OD1-N 3.05Å; D322-S324 PolarHBondContact OD1-OG 2.68Å; S324-C326 VanDerWaalsContact C-N 3.26Å; S324-C326 PolarHBondContact O-N 2.79Å; S324-C326 PolarHBondContact O-SG 2.92Å; S324-C326 VanDerWaalsContact O-SG 3.37Å; S324-N350 PolarHBondContact N-O 2.83Å; S324-A352 CarbonylContact C-O 3.05Å; S324-A352 WeakPolarHBondContact CA-O 3.44Å; S324-A352 VanDerWaalsContact CB-O 3.24Å; S324-A352 WeakPolarHBondContact CB-O 3.36Å
325	G	97.1	Very high	97.7	Very high	4 Å²	4	28 Å²	28	4%	0.041	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	28.1	176.9	0	0	0	0	0	114.6	E297 A352 R353	E297-G325 WeakPolarHBondContact CA-O 3.17Å; G325-A352 PolarHBondContact N-O 3.33Å; G325-R353 WeakPolarHBondContact CA-O 3.45Å
326	C	96.9	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-97.5	9.8	-174.3	-71.5	0	0	0	0	114.2	L295 L300 R301 L323 S324 L328 N354	L295-C326 PolarHBondContact O-SG 3.16Å; L300-C326 HydrophobicContact CB-CB 4.24Å; L300-C326 HydrophobicContact CD1-CB 4.24Å; L300-C326 PolarHBondContact N-O 2.7Å; R301-C326 PolarHBondContact N-O 2.83Å; L323-C326 WeakPolarHBondContact O-CB 3.42Å; L323-C326 PolarHBondContact O-SG 3.36Å; S324-C326 VanDerWaalsContact C-N 3.26Å; S324-C326 PolarHBondContact O-N 2.79Å; S324-C326 PolarHBondContact O-SG 2.92Å; S324-C326 VanDerWaalsContact O-SG 3.37Å; C326-L328 VanDerWaalsContact C-N 3.28Å; C326-L328 HydrophobicContact CB-CD1 4.33Å; C326-L328 HydrophobicContact CB-CD2 4.07Å; C326-L328 HydrophobicContact CB-CG 3.87Å; C326-L328 PolarHBondContact O-N 2.78Å; C326-N354 WeakPolarHBondContact CA-OD1 3.26Å; C326-N354 PolarHBondContact N-OD1 2.95Å
327	D	95.8	Very high	97.8	Very high	62 Å²	62	23.1 Å²	23.1	33%	0.332	14%	0.138	S	C	.	.			trans	53.3	39	-178.4	-62.8	-34.9	0	0	0	113.6	R301 N354 Q355	R301-D327 WeakPolarHBondContact CA-O 3.17Å; R301-D327 HydrophobicContact CG-CB 4.16Å; D327-N354 PolarHBondContact N-OD1 2.84Å; D327-Q355 PolarHBondContact OD1-NE2 2.66Å
328	L	97.2	Very high	97.9	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.154	C	C	.	.			trans	-72.3	-42	-173.3	-62	177.1	0	0	0	113.4	L300 R301 L305 L323 C326 S332 L336 L351 N354	L300-L328 HydrophobicContact CB-CD2 4.3Å; R301-L328 WeakPolarHBondContact O-CD2 3.42Å; L305-L328 HydrophobicContact CB-CD2 3.95Å; L305-L328 HydrophobicContact CD2-CD1 4.47Å; L305-L328 HydrophobicContact CD2-CD2 4.08Å; L323-L328 HydrophobicContact CB-CD1 4.19Å; L323-L328 HydrophobicContact CD1-CD1 4.4Å; C326-L328 VanDerWaalsContact C-N 3.28Å; C326-L328 HydrophobicContact CB-CD1 4.33Å; C326-L328 HydrophobicContact CB-CD2 4.07Å; C326-L328 HydrophobicContact CB-CG 3.87Å; C326-L328 PolarHBondContact O-N 2.78Å; L328-S332 VanDerWaalsContact O-CB 3.27Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-OG 3.36Å; L328-L336 HydrophobicContact CD1-CD1 4.09Å; L328-L336 HydrophobicContact CD1-CD2 4.47Å; L328-L351 HydrophobicContact CD1-CD2 4.14Å; L328-N354 HydrophobicContact CB-CB 4.19Å; L328-N354 WeakPolarHBondContact CG-OD1 3.43Å; L328-N354 PolarHBondContact N-OD1 3.5Å
329	G	97	Very high	97.9	Very high	16 Å²	16	26.9 Å²	26.9	17%	0.165	15%	0.154	C	C	.	.			trans	58.4	-175.1	-177	0	0	0	0	0	114.9	S331 S332 N354	G329-S331 VanDerWaalsContact C-N 3.27Å; G329-S331 PolarHBondContact O-N 3.22Å; G329-S332 PolarHBondContact O-N 2.94Å; G329-N354 WeakPolarHBondContact CA-O 3.35Å; G329-N354 PolarHBondContact N-O 3.12Å
330	D	97.9	Very high	97.8	Very high	51 Å²	51	23.1 Å²	23.1	27%	0.273	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-64.2	-32.2	-179.6	-72	-14.9	0	0	0	113	S332 C333 I356 G357 G360	D330-S332 PolarHBondContact O-N 3.48Å; D330-C333 WeakPolarHBondContact O-CB 3.37Å; D330-C333 PolarHBondContact O-N 3.29Å; D330-I356 WeakPolarHBondContact OD1-CA 3.33Å; D330-G357 WeakPolarHBondContact OD1-CA 3.24Å; D330-G357 PolarHBondContact OD1-N 3.49Å; D330-G357 WeakPolarHBondContact OD2-CA 3.15Å; D330-G357 PolarHBondContact OD2-N 3.42Å; D330-G360 VanDerWaalsContact OD1-CA 3.3Å; D330-G360 WeakPolarHBondContact OD1-CA 3.47Å; D330-G360 PolarHBondContact OD1-N 2.99Å; D330-G360 VanDerWaalsContact OD1-N 3.15Å
331	S	97.3	Very high	97.7	Very high	68 Å²	68	23 Å²	23	48%	0.476	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-62.7	-17	-178.4	74.3	0	0	0	0	114.9	K302 G329	K302-S331 WeakPolarHBondContact CE-O 3.31Å; K302-S331 PolarHBondContact NZ-O 3.47Å; G329-S331 VanDerWaalsContact C-N 3.27Å; G329-S331 PolarHBondContact O-N 3.22Å
332	S	97.8	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-97.2	-13.2	176.9	-62.9	0	0	0	0	113	K302 L328 G329 D330 S334 M335 L336	K302-S332 WeakPolarHBondContact CA-OG 3.25Å; L328-S332 VanDerWaalsContact O-CB 3.27Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-OG 3.36Å; G329-S332 PolarHBondContact O-N 2.94Å; D330-S332 PolarHBondContact O-N 3.48Å; S332-S334 VanDerWaalsContact C-N 3.29Å; S332-S334 PolarHBondContact O-N 2.96Å; S332-M335 WeakPolarHBondContact O-CB 3.43Å; S332-M335 PolarHBondContact O-N 3.31Å; S332-M335 VanDerWaalsContact O-N 3.08Å; S332-L336 PolarHBondContact O-N 3.02Å; S332-L336 VanDerWaalsContact O-N 3.1Å
333	C	98.2	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-24.9	-170.8	-71.5	0	0	0	0	113.4	D330 M335 L336 A337 G360 L363 L364	D330-C333 WeakPolarHBondContact O-CB 3.37Å; D330-C333 PolarHBondContact O-N 3.29Å; C333-M335 VanDerWaalsContact C-N 3.33Å; C333-M335 PolarHBondContact O-N 2.91Å; C333-L336 PolarHBondContact O-N 3.37Å; C333-A337 WeakPolarHBondContact O-CB 3.32Å; C333-A337 PolarHBondContact O-N 3.15Å; C333-G360 VanDerWaalsContact SG-CA 3.54Å; C333-L363 HydrophobicContact CB-CB 4.47Å; C333-L363 HydrophobicContact CB-CD1 4.21Å; C333-L364 HydrophobicContact CB-CG 4.43Å
334	S	97.9	Very high	97.5	Very high	67 Å²	67	33.4 Å²	33.4	47%	0.469	18%	0.183	S	C	.	.	H	α-helix	trans	-62.9	-40.3	171.2	64.8	0	0	0	0	112	S332 E338	S332-S334 VanDerWaalsContact C-N 3.29Å; S332-S334 PolarHBondContact O-N 2.96Å; S334-E338 PolarHBondContact O-N 3.21Å; S334-E338 VanDerWaalsContact O-N 3.1Å
335	M	98.3	Very high	97.4	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-70.3	-42.4	176.1	-70.4	-173.9	-68	0	0	111.3	K302 L305 M306 Y309 S332 C333 A337 E338 I339	K302-M335 HydrophobicContact CG-CE 3.7Å; L305-M335 HydrophobicContact CB-CE 4.34Å; L305-M335 HydrophobicContact CD2-CB 4.33Å; L305-M335 HydrophobicContact CD2-CE 4.14Å; L305-M335 HydrophobicContact CG-CE 4.26Å; M306-M335 HydrophobicContact CB-CE 4.36Å; M306-M335 HydrophobicContact CB-SD 4.06Å; M306-M335 HydrophobicContact CE-SD 4.45Å; M306-M335 HydrophobicContact CG-SD 4.31Å; Y309-M335 HydrophobicContact CD2-CB 3.56Å; Y309-M335 HydrophobicContact CD2-CG 3.78Å; Y309-M335 HydrophobicContact CD2-SD 4.14Å; Y309-M335 HydrophobicContact CE2-CB 3.59Å; Y309-M335 HydrophobicContact CE2-CG 3.79Å; Y309-M335 WeakPolarHBondContact CE2-O 3.15Å; Y309-M335 HydrophobicContact CG-CB 4.43Å; Y309-M335 HydrophobicContact CG-CG 4.24Å; Y309-M335 HydrophobicContact CG-SD 4.09Å; S332-M335 WeakPolarHBondContact O-CB 3.43Å; S332-M335 PolarHBondContact O-N 3.31Å; S332-M335 VanDerWaalsContact O-N 3.08Å; C333-M335 VanDerWaalsContact C-N 3.33Å; C333-M335 PolarHBondContact O-N 2.91Å; M335-A337 VanDerWaalsContact C-N 3.35Å; M335-E338 PolarHBondContact O-N 3.41Å; M335-I339 VanDerWaalsContact O-CG1 3.28Å; M335-I339 WeakPolarHBondContact O-CG1 3.45Å; M335-I339 PolarHBondContact O-N 3.01Å
336	L	98.3	Very high	97.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-41	176.7	-66.8	172	0	0	0	112	L305 L323 L328 S332 C333 I339 L340 L351 L364	L305-L336 HydrophobicContact CD1-CD2 4.46Å; L305-L336 HydrophobicContact CD2-CD2 3.76Å; L305-L336 HydrophobicContact CD2-CG 3.88Å; L323-L336 HydrophobicContact CD1-CD2 4.08Å; L328-L336 HydrophobicContact CD1-CD1 4.09Å; L328-L336 HydrophobicContact CD1-CD2 4.47Å; S332-L336 PolarHBondContact O-N 3.02Å; S332-L336 VanDerWaalsContact O-N 3.1Å; C333-L336 PolarHBondContact O-N 3.37Å; L336-I339 PolarHBondContact O-N 3.31Å; L336-L340 WeakPolarHBondContact O-CG 3.28Å; L336-L340 PolarHBondContact O-N 3.33Å; L336-L351 HydrophobicContact CD1-CD1 4.04Å; L336-L351 HydrophobicContact CD1-CD2 3.84Å; L336-L351 HydrophobicContact CD2-CD2 3.91Å; L336-L364 HydrophobicContact CB-CD2 3.87Å
337	A	98.2	Very high	97.6	Very high	14 Å²	14	37.2 Å²	37.2	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-46.7	174.7	0	0	0	0	0	111.1	C333 M335 I339 L340 T341 L363 A367	C333-A337 WeakPolarHBondContact O-CB 3.32Å; C333-A337 PolarHBondContact O-N 3.15Å; M335-A337 VanDerWaalsContact C-N 3.35Å; A337-I339 PolarHBondContact O-N 3.39Å; A337-L340 PolarHBondContact O-N 3.14Å; A337-T341 PolarHBondContact O-N 3.29Å; A337-T341 PolarHBondContact O-OG1 3.44Å; A337-T341 VanDerWaalsContact O-OG1 3.12Å; A337-L363 HydrophobicContact CB-CB 4.29Å; A337-A367 HydrophobicContact CB-CB 3.77Å
338	E	97.9	Very high	97.7	Very high	94 Å²	94	36.4 Å²	36.4	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-66.5	-37.7	177.5	-165.5	171.9	152.5	0	0	112.4	Y309 I313 S334 M335 L340 T341 M342	Y309-E338 HydrophobicContact CE2-CB 4.29Å; Y309-E338 WeakPolarHBondContact OH-CB 3.39Å; Y309-E338 WeakPolarHBondContact OH-CG 3.31Å; Y309-E338 PolarHBondContact OH-OE1 3.16Å; Y309-E338 PolarHBondContact OH-OE2 2.97Å; I313-E338 HydrophobicContact CD1-CB 4.4Å; I313-E338 HydrophobicContact CD1-CG 3.91Å; S334-E338 PolarHBondContact O-N 3.21Å; S334-E338 VanDerWaalsContact O-N 3.1Å; M335-E338 PolarHBondContact O-N 3.41Å; E338-L340 VanDerWaalsContact C-N 3.33Å; E338-L340 PolarHBondContact O-N 2.81Å; E338-T341 PolarHBondContact O-N 3.42Å; E338-M342 HydrophobicContact CG-CG 3.82Å; E338-M342 WeakPolarHBondContact O-CB 3.39Å; E338-M342 VanDerWaalsContact O-CG 3.28Å; E338-M342 WeakPolarHBondContact O-CG 3.5Å; E338-M342 PolarHBondContact O-N 2.69Å
339	I	98	Very high	97.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-47	171.1	-70.5	163.2	0	0	0	110.4	L305 Y309 L312 I313 M335 L336 A337 N343	L305-I339 HydrophobicContact CD1-CD1 4.43Å; Y309-I339 HydrophobicContact CD2-CD1 4.01Å; Y309-I339 HydrophobicContact CD2-CG1 4.02Å; Y309-I339 HydrophobicContact CE2-CG1 4.19Å; L312-I339 HydrophobicContact CB-CD1 4.13Å; L312-I339 HydrophobicContact CB-CG1 4.29Å; L312-I339 HydrophobicContact CD1-CD1 4.08Å; I313-I339 HydrophobicContact CG1-CG1 3.86Å; M335-I339 VanDerWaalsContact O-CG1 3.28Å; M335-I339 WeakPolarHBondContact O-CG1 3.45Å; M335-I339 PolarHBondContact O-N 3.01Å; L336-I339 PolarHBondContact O-N 3.31Å; A337-I339 PolarHBondContact O-N 3.39Å; I339-N343 HydrophobicContact CG2-CB 4.47Å; I339-N343 WeakPolarHBondContact O-CB 3.05Å; I339-N343 PolarHBondContact O-N 3.15Å
340	L	97.7	Very high	97.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-39.9	178.4	-75.3	176.5	0	0	0	112.4	L336 A337 E338 L349 L364 A367 I368 N371 L374	L336-L340 WeakPolarHBondContact O-CG 3.28Å; L336-L340 PolarHBondContact O-N 3.33Å; A337-L340 PolarHBondContact O-N 3.14Å; E338-L340 VanDerWaalsContact C-N 3.33Å; E338-L340 PolarHBondContact O-N 2.81Å; L340-L349 HydrophobicContact CD1-CD2 4.34Å; L340-L349 HydrophobicContact CD2-CD2 3.64Å; L340-L349 HydrophobicContact CG-CD2 4.11Å; L340-L364 HydrophobicContact CD1-CD2 4.01Å; L340-A367 HydrophobicContact CB-CB 3.97Å; L340-A367 HydrophobicContact CD1-CB 4.19Å; L340-I368 HydrophobicContact CD1-CG1 4.48Å; L340-N371 PolarHBondContact O-ND2 3.46Å; L340-L374 HydrophobicContact CD2-CD2 3.86Å
341	T	97.1	Very high	97.9	Very high	50 Å²	50	33.8 Å²	33.8	31%	0.307	18%	0.18	S	C	.	.	H	α-helix	trans	-76	-32.5	-179.4	-56.5	0	0	0	0	112.7	A337 E338 R344	A337-T341 PolarHBondContact O-N 3.29Å; A337-T341 PolarHBondContact O-OG1 3.44Å; A337-T341 VanDerWaalsContact O-OG1 3.12Å; E338-T341 PolarHBondContact O-N 3.42Å; T341-R344 PolarHBondContact O-NH2 3.47Å
342	M	97.2	Very high	98	Very high	97 Å²	97	31 Å²	31	48%	0.478	16%	0.16	S	C	.	.	H	α-helix	trans	-98.3	-36.5	-171	-63.9	-67.2	-75.4	0	0	113.9	I313 E338 R344	I313-M342 HydrophobicContact CG1-CB 4.49Å; I313-M342 HydrophobicContact CG2-CB 3.69Å; I313-M342 HydrophobicContact CG2-CG 4.41Å; E338-M342 HydrophobicContact CG-CG 3.82Å; E338-M342 WeakPolarHBondContact O-CB 3.39Å; E338-M342 VanDerWaalsContact O-CG 3.28Å; E338-M342 WeakPolarHBondContact O-CG 3.5Å; E338-M342 PolarHBondContact O-N 2.69Å; M342-R344 PolarHBondContact O-N 3.39Å
343	N	96.8	Very high	98	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	17%	0.172	C	C	.	.			trans	-70.3	131	-179.9	-172.5	-64.8	0	0	0	110.4	L312 N315 I339 V345 L346	L312-N343 PolarHBondContact O-ND2 3.46Å; N315-N343 PolarHBondContact O-ND2 3.39Å; N315-N343 VanDerWaalsContact O-ND2 3.16Å; I339-N343 HydrophobicContact CG2-CB 4.47Å; I339-N343 WeakPolarHBondContact O-CB 3.05Å; I339-N343 PolarHBondContact O-N 3.15Å; N343-V345 PolarHBondContact OD1-N 3.07Å; N343-L346 WeakPolarHBondContact OD1-CB 3.15Å; N343-L346 PolarHBondContact OD1-N 2.7Å
344	R	96	Very high	98	Very high	138 Å²	138	34.1 Å²	34.1	52%	0.521	17%	0.172	S	C	.	.	S	Bend	trans	-110	11.7	-175.3	-57.1	-58.7	175	169.9	-6.3	114.8	T341 M342 D372 T373	T341-R344 PolarHBondContact O-NH2 3.47Å; M342-R344 PolarHBondContact O-N 3.39Å; R344-D372 IonicContact NH1-OD1 2.78Å; R344-D372 PolarHBondContact NH1-OD1 3.25Å; R344-D372 IonicContact NH1-OD2 3.34Å; R344-T373 HydrophobicContact CB-CG2 4.5Å
345	V	97.6	Very high	97.9	Very high	40 Å²	40	36.9 Å²	36.9	24%	0.242	18%	0.178	C	C	.	.	S	Bend	trans	-127.2	-24.8	-176.2	-177.4	0	0	0	0	112.5	V316 K319 N343 T347	V316-V345 HydrophobicContact CB-CG2 4.4Å; K319-V345 HydrophobicContact CG-CG1 3.91Å; N343-V345 PolarHBondContact OD1-N 3.07Å; V345-T347 PolarHBondContact O-N 2.99Å
346	L	98.3	Very high	97.9	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	18%	0.175	C	C	.	.			trans	-63.6	121.7	-178.9	-167.7	68.8	0	0	0	110.8	I318 L321 N343 Y348 L349 T373 L374	I318-L346 HydrophobicContact CG2-CD1 4.28Å; L321-L346 HydrophobicContact CB-CD1 3.66Å; N343-L346 WeakPolarHBondContact OD1-CB 3.15Å; N343-L346 PolarHBondContact OD1-N 2.7Å; L346-Y348 WeakPolarHBondContact CD1-O 3.32Å; L346-L349 HydrophobicContact CD2-CB 4.11Å; L346-L349 HydrophobicContact CD2-CD1 4.33Å; L346-L349 HydrophobicContact CD2-CD2 4.46Å; L346-T373 CarbonylContact O-C 3.59Å; L346-T373 PolarHBondContact O-OG1 3.26Å; L346-T373 VanDerWaalsContact O-OG1 3.06Å; L346-L374 HydrophobicContact CD2-CD1 4.42Å; L346-L374 HydrophobicContact CG-CD1 4.21Å
347	T	98.5	Very high	97.9	Very high	47 Å²	47	36.7 Å²	36.7	29%	0.288	18%	0.179	S	C	.	.			trans	-112.2	-23.8	-178.9	56.4	0	0	0	0	113.3	K319 V345 F375 K376	K319-T347 PolarHBondContact O-N 2.88Å; K319-T347 PolarHBondContact O-OG1 3.48Å; V345-T347 PolarHBondContact O-N 2.99Å; T347-F375 WeakPolarHBondContact O-CA 3.4Å; T347-F375 WeakPolarHBondContact O-CB 3.12Å; T347-F375 PolarHBondContact O-N 3.44Å; T347-K376 PolarHBondContact O-N 3.47Å
348	Y	98.7	Very high	97.8	Very high	45 Å²	45	37.7 Å²	37.7	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128	177	171.5	-117.9	0	0	0	110.5	K319 N320 L321 L346 N350 K376	K319-Y348 PolarHBondContact O-N 3.35Å; N320-Y348 HydrophobicContact CB-CD1 4.02Å; N320-Y348 WeakPolarHBondContact OD1-CB 3.12Å; L321-Y348 PolarHBondContact N-O 3.43Å; L346-Y348 WeakPolarHBondContact CD1-O 3.32Å; Y348-N350 HydrophobicContact CE1-CB 4.27Å; Y348-N350 HydrophobicContact CE2-CB 4.43Å; Y348-K376 WeakPolarHBondContact CA-O 3.43Å; Y348-K376 HydrophobicContact CD2-CB 3.8Å; Y348-K376 HydrophobicContact CD2-CD 3.78Å; Y348-K376 HydrophobicContact CD2-CG 3.54Å; Y348-K376 HydrophobicContact CE2-CD 3.86Å; Y348-K376 HydrophobicContact CE2-CG 3.79Å
349	L	98.7	Very high	97.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.9	175.6	179.9	60.7	0	0	0	110.2	L321 L340 L346 L351 L374 K376 I377 D378	L321-L349 HydrophobicContact CB-CD1 4.17Å; L321-L349 HydrophobicContact CD2-CD1 4.05Å; L321-L349 HydrophobicContact CG-CD1 4.14Å; L321-L349 WeakPolarHBondContact O-CA 3.48Å; L340-L349 HydrophobicContact CD1-CD2 4.34Å; L340-L349 HydrophobicContact CD2-CD2 3.64Å; L340-L349 HydrophobicContact CG-CD2 4.11Å; L346-L349 HydrophobicContact CD2-CB 4.11Å; L346-L349 HydrophobicContact CD2-CD1 4.33Å; L346-L349 HydrophobicContact CD2-CD2 4.46Å; L349-L351 HydrophobicContact CD1-CD2 4.25Å; L349-L351 HydrophobicContact CD1-CG 4.29Å; L349-L351 HydrophobicContact CD2-CD1 3.83Å; L349-L351 HydrophobicContact CD2-CG 4.04Å; L349-L351 HydrophobicContact CG-CD1 4.27Å; L349-L351 HydrophobicContact CG-CD2 4.41Å; L349-L351 HydrophobicContact CG-CG 3.93Å; L349-L374 HydrophobicContact CB-CD1 3.81Å; L349-L374 HydrophobicContact CB-CD2 4.41Å; L349-K376 PolarHBondContact N-O 2.96Å; L349-K376 VanDerWaalsContact N-O 3.15Å; L349-I377 WeakPolarHBondContact O-CA 3.48Å; L349-D378 PolarHBondContact O-N 3.42Å
350	N	98.8	Very high	97.8	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.3	172.4	-171.5	-2.7	0	0	0	110.5	L321 D322 L323 S324 Y348 A352 D378	L321-N350 PolarHBondContact O-N 3.27Å; D322-N350 HydrophobicContact CB-CB 4.21Å; D322-N350 PolarHBondContact OD1-ND2 2.88Å; D322-N350 PolarHBondContact OD2-ND2 3.18Å; L323-N350 CarbonylContact C-O 3.52Å; L323-N350 WeakPolarHBondContact CA-O 3.39Å; L323-N350 PolarHBondContact N-O 3.28Å; S324-N350 PolarHBondContact N-O 2.83Å; Y348-N350 HydrophobicContact CE1-CB 4.27Å; Y348-N350 HydrophobicContact CE2-CB 4.43Å; N350-A352 VanDerWaalsContact OD1-CB 3.25Å; N350-A352 WeakPolarHBondContact OD1-CB 3.42Å; N350-A352 PolarHBondContact OD1-N 3.2Å; N350-D378 HydrophobicContact CB-CB 4.43Å
351	L	98.7	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.			trans	-120.2	18.2	176.7	-67	175.8	0	0	0	111.7	L323 L328 L336 L349 N354 I356 L364 D378 L379 N382	L323-L351 HydrophobicContact CB-CD2 4.15Å; L323-L351 HydrophobicContact CD1-CD2 4.31Å; L328-L351 HydrophobicContact CD1-CD2 4.14Å; L336-L351 HydrophobicContact CD1-CD1 4.04Å; L336-L351 HydrophobicContact CD1-CD2 3.84Å; L336-L351 HydrophobicContact CD2-CD2 3.91Å; L349-L351 HydrophobicContact CD1-CD2 4.25Å; L349-L351 HydrophobicContact CD1-CG 4.29Å; L349-L351 HydrophobicContact CD2-CD1 3.83Å; L349-L351 HydrophobicContact CD2-CG 4.04Å; L349-L351 HydrophobicContact CG-CD1 4.27Å; L349-L351 HydrophobicContact CG-CD2 4.41Å; L349-L351 HydrophobicContact CG-CG 3.93Å; L351-N354 VanDerWaalsContact C-ND2 3.26Å; L351-N354 WeakPolarHBondContact CA-ND2 3.32Å; L351-N354 PolarHBondContact O-ND2 2.9Å; L351-I356 HydrophobicContact CB-CD1 4.33Å; L351-L364 HydrophobicContact CD1-CD1 4.26Å; L351-L364 HydrophobicContact CD1-CD2 4.44Å; L351-D378 CarbonylContact C-O 3.46Å; L351-D378 WeakPolarHBondContact CA-O 3.34Å; L351-D378 PolarHBondContact N-O 3.19Å; L351-L379 HydrophobicContact CB-CD2 4.01Å; L351-L379 HydrophobicContact CD1-CD2 4.07Å; L351-N382 PolarHBondContact O-ND2 3.45Å
352	A	98.5	Very high	97.8	Very high	8 Å²	8	39.3 Å²	39.3	7%	0.066	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	149.3	179.5	0	0	0	0	0	111.8	S324 G325 N350 N354 D378 S380	S324-A352 CarbonylContact C-O 3.05Å; S324-A352 WeakPolarHBondContact CA-O 3.44Å; S324-A352 VanDerWaalsContact CB-O 3.24Å; S324-A352 WeakPolarHBondContact CB-O 3.36Å; G325-A352 PolarHBondContact N-O 3.33Å; N350-A352 VanDerWaalsContact OD1-CB 3.25Å; N350-A352 WeakPolarHBondContact OD1-CB 3.42Å; N350-A352 PolarHBondContact OD1-N 3.2Å; A352-N354 VanDerWaalsContact C-N 3.34Å; A352-N354 PolarHBondContact O-N 2.94Å; A352-N354 PolarHBondContact O-ND2 3.37Å; A352-D378 PolarHBondContact N-O 2.99Å; A352-S380 CarbonylContact C-O 3.54Å; A352-S380 WeakPolarHBondContact CA-O 3.48Å; A352-S380 VanDerWaalsContact CB-O 3.28Å; A352-S380 WeakPolarHBondContact CB-O 3.4Å
353	R	97.9	Very high	97.9	Very high	67 Å²	67	38.1 Å²	38.1	25%	0.253	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	34.5	173.8	-53.5	162.1	174.3	-82.5	-18.2	114.7	G325 S380 W381	G325-R353 WeakPolarHBondContact CA-O 3.45Å; R353-S380 PolarHBondContact N-O 3.4Å; R353-W381 VanDerWaalsContact CA-O 3.31Å; R353-W381 WeakPolarHBondContact CA-O 2.9Å; R353-W381 HydrophobicContact CG-CB 3.68Å; R353-W381 HydrophobicContact CG-CD2 4.29Å; R353-W381 HydrophobicContact CG-CE3 4.01Å; R353-W381 HydrophobicContact CG-CG 4.19Å; R353-W381 PolarHBondContact N-O 2.99Å
354	N	98.2	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-104.1	9.1	-179.9	-83.3	-61.4	0	0	0	114.7	L323 C326 D327 L328 G329 L351 A352 I356 N382	L323-N354 PolarHBondContact O-ND2 3.02Å; L323-N354 PolarHBondContact O-OD1 3.48Å; C326-N354 WeakPolarHBondContact CA-OD1 3.26Å; C326-N354 PolarHBondContact N-OD1 2.95Å; D327-N354 PolarHBondContact N-OD1 2.84Å; L328-N354 HydrophobicContact CB-CB 4.19Å; L328-N354 WeakPolarHBondContact CG-OD1 3.43Å; L328-N354 PolarHBondContact N-OD1 3.5Å; G329-N354 WeakPolarHBondContact CA-O 3.35Å; G329-N354 PolarHBondContact N-O 3.12Å; L351-N354 VanDerWaalsContact C-ND2 3.26Å; L351-N354 WeakPolarHBondContact CA-ND2 3.32Å; L351-N354 PolarHBondContact O-ND2 2.9Å; A352-N354 VanDerWaalsContact C-N 3.34Å; A352-N354 PolarHBondContact O-N 2.94Å; A352-N354 PolarHBondContact O-ND2 3.37Å; N354-I356 HydrophobicContact CB-CD1 4Å; N354-I356 HydrophobicContact CB-CG1 3.99Å; N354-I356 PolarHBondContact O-N 2.85Å; N354-N382 VanDerWaalsContact C-OD1 3.31Å; N354-N382 WeakPolarHBondContact CA-OD1 3.37Å; N354-N382 PolarHBondContact N-OD1 3.45Å
355	Q	96.8	Very high	98.1	Very high	125 Å²	125	31.3 Å²	31.3	58%	0.584	16%	0.162	S	C	*	.			trans	58.2	31.6	179.8	-48.3	174.5	35	0	0	112.8	D327 G357 N382	D327-Q355 PolarHBondContact OD1-NE2 2.66Å; Q355-G357 PolarHBondContact O-N 2.84Å; Q355-N382 PolarHBondContact N-OD1 2.84Å
356	I	98.2	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.			trans	-71.9	121.4	177	-61.3	165.8	0	0	0	108.7	D330 L351 N354 L364 N382 S383 I384	D330-I356 WeakPolarHBondContact OD1-CA 3.33Å; L351-I356 HydrophobicContact CB-CD1 4.33Å; N354-I356 HydrophobicContact CB-CD1 4Å; N354-I356 HydrophobicContact CB-CG1 3.99Å; N354-I356 PolarHBondContact O-N 2.85Å; I356-L364 HydrophobicContact CD1-CD1 3.98Å; I356-L364 HydrophobicContact CG2-CD1 4.21Å; I356-N382 HydrophobicContact CB-CB 4.12Å; I356-N382 PolarHBondContact N-OD1 3.48Å; I356-N382 WeakPolarHBondContact O-CB 3.4Å; I356-S383 CarbonylContact O-C 3.3Å; I356-S383 VanDerWaalsContact O-CA 3.3Å; I356-S383 WeakPolarHBondContact O-CA 3.33Å; I356-S383 PolarHBondContact O-N 3.29Å; I356-I384 HydrophobicContact CG2-CG1 4.4Å; I356-I384 PolarHBondContact O-N 3.36Å; I356-I384 VanDerWaalsContact O-N 3.11Å
357	G	97.8	Very high	98.1	Very high	11 Å²	11	34.3 Å²	34.3	11%	0.113	18%	0.177	C	C	.	.			trans	-92	-163.6	177.1	0	0	0	0	0	113	D330 Q355 A361 S383	D330-G357 WeakPolarHBondContact OD1-CA 3.24Å; D330-G357 PolarHBondContact OD1-N 3.49Å; D330-G357 WeakPolarHBondContact OD2-CA 3.15Å; D330-G357 PolarHBondContact OD2-N 3.42Å; Q355-G357 PolarHBondContact O-N 2.84Å; G357-A361 VanDerWaalsContact O-CB 3.22Å; G357-A361 WeakPolarHBondContact O-CB 3.35Å; G357-A361 PolarHBondContact O-N 2.97Å; G357-A361 VanDerWaalsContact O-N 3.16Å; G357-S383 WeakPolarHBondContact CA-O 3.37Å
358	S	96.8	Very high	98.1	Very high	34 Å²	34	32.1 Å²	32.1	24%	0.238	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-34.3	-179.1	-67.1	0	0	0	0	113.4	A361 E362 I384 A385 G388	S358-A361 PolarHBondContact O-N 2.75Å; S358-E362 PolarHBondContact O-N 2.99Å; S358-E362 VanDerWaalsContact O-N 3.12Å; S358-I384 WeakPolarHBondContact CA-O 3.46Å; S358-I384 PolarHBondContact N-O 3.06Å; S358-I384 PolarHBondContact OG-O 3.29Å; S358-A385 PolarHBondContact OG-O 2.95Å; S358-G388 PolarHBondContact OG-N 3.48Å
359	D	97.1	Very high	98	Very high	109 Å²	109	31.5 Å²	31.5	58%	0.583	17%	0.166	S	C	*	.	H	α-helix	trans	-73.4	-40.7	-175.9	-65.5	-17.1	0	0	0	111.3	A361 E362	D359-A361 VanDerWaalsContact C-N 3.33Å; D359-E362 PolarHBondContact O-N 2.77Å
360	G	97.8	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-34.9	173.3	0	0	0	0	0	112.4	D330 C333 E362 L363 L364	D330-G360 VanDerWaalsContact OD1-CA 3.3Å; D330-G360 WeakPolarHBondContact OD1-CA 3.47Å; D330-G360 PolarHBondContact OD1-N 2.99Å; D330-G360 VanDerWaalsContact OD1-N 3.15Å; C333-G360 VanDerWaalsContact SG-CA 3.54Å; G360-E362 PolarHBondContact O-N 3.1Å; G360-L363 PolarHBondContact O-N 3.36Å; G360-L364 WeakPolarHBondContact O-CG 3.35Å; G360-L364 PolarHBondContact O-N 3.19Å
361	A	98.3	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-32	177.4	0	0	0	0	0	113.8	G357 S358 D359 L364 G365 I384 I392	G357-A361 VanDerWaalsContact O-CB 3.22Å; G357-A361 WeakPolarHBondContact O-CB 3.35Å; G357-A361 PolarHBondContact O-N 2.97Å; G357-A361 VanDerWaalsContact O-N 3.16Å; S358-A361 PolarHBondContact O-N 2.75Å; D359-A361 VanDerWaalsContact C-N 3.33Å; A361-L364 PolarHBondContact O-N 2.98Å; A361-G365 PolarHBondContact O-N 2.91Å; A361-I384 HydrophobicContact CB-CB 4.31Å; A361-I384 HydrophobicContact CB-CG1 4.13Å; A361-I384 HydrophobicContact CB-CG2 3.59Å; A361-I392 HydrophobicContact CB-CD1 4.33Å; A361-I392 HydrophobicContact CB-CG1 3.97Å; A361-I392 WeakPolarHBondContact O-CD1 3.38Å
362	E	98.1	Very high	97.8	Very high	76 Å²	76	37.5 Å²	37.5	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-59.6	-51.3	172.2	-178.8	171.9	-178.4	0	0	110.7	S358 D359 G360 L364 G365 D366 K387	S358-E362 PolarHBondContact O-N 2.99Å; S358-E362 VanDerWaalsContact O-N 3.12Å; D359-E362 PolarHBondContact O-N 2.77Å; G360-E362 PolarHBondContact O-N 3.1Å; E362-L364 VanDerWaalsContact C-N 3.35Å; E362-L364 PolarHBondContact O-N 3.18Å; E362-G365 PolarHBondContact O-N 2.91Å; E362-D366 PolarHBondContact O-N 3.02Å; E362-K387 IonicContact OE1-NZ 3.99Å; E362-K387 IonicContact OE2-NZ 2.99Å; E362-K387 PolarHBondContact OE2-NZ 3.25Å
363	L	98.3	Very high	97.8	Very high	73 Å²	73	38.1 Å²	38.1	38%	0.382	21%	0.206	S	C	.	.	H	α-helix	trans	-61.5	-41.5	177.7	-62.3	175	0	0	0	112.5	C333 A337 G360 A367	C333-L363 HydrophobicContact CB-CB 4.47Å; C333-L363 HydrophobicContact CB-CD1 4.21Å; A337-L363 HydrophobicContact CB-CB 4.29Å; G360-L363 PolarHBondContact O-N 3.36Å; L363-A367 WeakPolarHBondContact O-CB 3.38Å; L363-A367 PolarHBondContact O-N 2.8Å; L363-A367 VanDerWaalsContact O-N 3.11Å
364	L	98.5	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-35.2	177.3	-69.6	177.2	0	0	0	112	C333 L336 L340 L351 I356 G360 A361 E362 A367 I368 L379 I392	C333-L364 HydrophobicContact CB-CG 4.43Å; L336-L364 HydrophobicContact CB-CD2 3.87Å; L340-L364 HydrophobicContact CD1-CD2 4.01Å; L351-L364 HydrophobicContact CD1-CD1 4.26Å; L351-L364 HydrophobicContact CD1-CD2 4.44Å; I356-L364 HydrophobicContact CD1-CD1 3.98Å; I356-L364 HydrophobicContact CG2-CD1 4.21Å; G360-L364 WeakPolarHBondContact O-CG 3.35Å; G360-L364 PolarHBondContact O-N 3.19Å; A361-L364 PolarHBondContact O-N 2.98Å; E362-L364 VanDerWaalsContact C-N 3.35Å; E362-L364 PolarHBondContact O-N 3.18Å; L364-A367 PolarHBondContact O-N 2.79Å; L364-I368 VanDerWaalsContact O-CB 3.27Å; L364-I368 WeakPolarHBondContact O-CB 3.39Å; L364-I368 WeakPolarHBondContact O-CD1 3.37Å; L364-I368 WeakPolarHBondContact O-CG1 3.33Å; L364-I368 PolarHBondContact O-N 2.77Å; L364-L379 HydrophobicContact CD1-CD2 4.06Å; L364-I392 HydrophobicContact CB-CD1 3.92Å
365	G	98.2	Very high	97.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-46.6	176.5	0	0	0	0	0	112	A361 E362 I368 S369 G395	A361-G365 PolarHBondContact O-N 2.91Å; E362-G365 PolarHBondContact O-N 2.91Å; G365-I368 PolarHBondContact O-N 3.34Å; G365-S369 PolarHBondContact O-N 3.19Å; G365-G395 WeakPolarHBondContact O-CA 3.39Å
366	D	97.9	Very high	97.9	Very high	106 Å²	106	36.3 Å²	36.3	57%	0.567	20%	0.198	S	C	*	.	H	α-helix	trans	-66.8	-38.2	176.4	-71.7	-12.9	0	0	0	112.5	E362 I368 S369 S370	E362-D366 PolarHBondContact O-N 3.02Å; D366-I368 VanDerWaalsContact C-N 3.35Å; D366-S369 PolarHBondContact O-N 2.66Å; D366-S369 PolarHBondContact O-OG 3.11Å; D366-S370 PolarHBondContact O-N 3.37Å; D366-S370 PolarHBondContact O-OG 3.29Å; D366-S370 VanDerWaalsContact O-OG 3.05Å
367	A	98.2	Very high	97.9	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-37.4	175	0	0	0	0	0	111.9	A337 L340 L363 L364 S370 N371	A337-A367 HydrophobicContact CB-CB 3.77Å; L340-A367 HydrophobicContact CB-CB 3.97Å; L340-A367 HydrophobicContact CD1-CB 4.19Å; L363-A367 WeakPolarHBondContact O-CB 3.38Å; L363-A367 PolarHBondContact O-N 2.8Å; L363-A367 VanDerWaalsContact O-N 3.11Å; L364-A367 PolarHBondContact O-N 2.79Å; A367-S370 PolarHBondContact O-N 3.41Å; A367-S370 PolarHBondContact O-OG 2.89Å; A367-N371 VanDerWaalsContact O-CB 3.31Å; A367-N371 WeakPolarHBondContact O-CB 3.43Å; A367-N371 PolarHBondContact O-N 3.42Å
368	I	98.4	Very high	97.9	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-44.3	175.2	-74	163.8	0	0	0	110.2	L340 L364 G365 D366 S370 N371 I377 L379 I392 L396 N399 I402	L340-I368 HydrophobicContact CD1-CG1 4.48Å; L364-I368 VanDerWaalsContact O-CB 3.27Å; L364-I368 WeakPolarHBondContact O-CB 3.39Å; L364-I368 WeakPolarHBondContact O-CD1 3.37Å; L364-I368 WeakPolarHBondContact O-CG1 3.33Å; L364-I368 PolarHBondContact O-N 2.77Å; G365-I368 PolarHBondContact O-N 3.34Å; D366-I368 VanDerWaalsContact C-N 3.35Å; I368-S370 PolarHBondContact O-N 3.19Å; I368-N371 PolarHBondContact O-N 3.18Å; I368-I377 HydrophobicContact CD1-CD1 3.8Å; I368-I377 HydrophobicContact CG1-CD1 4.13Å; I368-L379 HydrophobicContact CD1-CD1 4.12Å; I368-I392 HydrophobicContact CD1-CD1 3.94Å; I368-L396 HydrophobicContact CG2-CD2 3.96Å; I368-L396 HydrophobicContact CG2-CG 4.3Å; I368-N399 HydrophobicContact CG2-CB 4.29Å; I368-N399 PolarHBondContact O-ND2 2.72Å; I368-I402 HydrophobicContact CG2-CD1 3.69Å
369	S	97.6	Very high	98	Very high	32 Å²	32	35.4 Å²	35.4	22%	0.224	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-35.8	-179.8	69.8	0	0	0	0	112.7	G365 D366	G365-S369 PolarHBondContact O-N 3.19Å; D366-S369 PolarHBondContact O-N 2.66Å; D366-S369 PolarHBondContact O-OG 3.11Å
370	S	97	Very high	98.1	Very high	62 Å²	62	30.9 Å²	30.9	43%	0.434	17%	0.165	S	C	.	.	H	α-helix	trans	-91.2	-14.6	-176.6	59	0	0	0	0	115.2	D366 A367 I368	D366-S370 PolarHBondContact O-N 3.37Å; D366-S370 PolarHBondContact O-OG 3.29Å; D366-S370 VanDerWaalsContact O-OG 3.05Å; A367-S370 PolarHBondContact O-N 3.41Å; A367-S370 PolarHBondContact O-OG 2.89Å; I368-S370 PolarHBondContact O-N 3.19Å
371	N	97.8	Very high	98.1	Very high	5 Å²	5	36 Å²	36	3%	0.027	19%	0.185	C	C	.	.			trans	-76	132.1	-179.3	178.1	-79.6	0	0	0	112.2	L340 A367 I368 T373 L374 N399	L340-N371 PolarHBondContact O-ND2 3.46Å; A367-N371 VanDerWaalsContact O-CB 3.31Å; A367-N371 WeakPolarHBondContact O-CB 3.43Å; A367-N371 PolarHBondContact O-N 3.42Å; I368-N371 PolarHBondContact O-N 3.18Å; N371-T373 PolarHBondContact ND2-OG1 2.95Å; N371-T373 PolarHBondContact OD1-N 2.95Å; N371-L374 WeakPolarHBondContact OD1-CA 3.12Å; N371-L374 WeakPolarHBondContact OD1-CB 3.27Å; N371-L374 PolarHBondContact OD1-N 3.32Å; N371-N399 PolarHBondContact O-ND2 3.28Å
372	D	96.7	Very high	98.1	Very high	74 Å²	74	36.5 Å²	36.5	40%	0.396	19%	0.187	S	C	.	.	S	Bend	trans	-115.7	6.2	-177.3	62.9	-10.2	0	0	0	114.4	R344 I400 R401	R344-D372 IonicContact NH1-OD1 2.78Å; R344-D372 PolarHBondContact NH1-OD1 3.25Å; R344-D372 IonicContact NH1-OD2 3.34Å; D372-I400 HydrophobicContact CB-CD1 4.46Å; D372-R401 WeakPolarHBondContact O-CG 3.38Å
373	T	97.6	Very high	97.9	Very high	20 Å²	20	36.8 Å²	36.8	12%	0.123	20%	0.197	C	C	.	.	S	Bend	trans	-115.6	-33.4	-174.8	66.7	0	0	0	0	114.1	R344 L346 N371 F375	R344-T373 HydrophobicContact CB-CG2 4.5Å; L346-T373 CarbonylContact O-C 3.59Å; L346-T373 PolarHBondContact O-OG1 3.26Å; L346-T373 VanDerWaalsContact O-OG1 3.06Å; N371-T373 PolarHBondContact ND2-OG1 2.95Å; N371-T373 PolarHBondContact OD1-N 2.95Å; T373-F375 PolarHBondContact O-N 3.18Å
374	L	98.2	Very high	97.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.179	C	C	.	.			trans	-70.5	121.7	-174.8	-162.9	73.7	0	0	0	109.7	L340 L346 L349 N371 I377 R401 I402	L340-L374 HydrophobicContact CD2-CD2 3.86Å; L346-L374 HydrophobicContact CD2-CD1 4.42Å; L346-L374 HydrophobicContact CG-CD1 4.21Å; L349-L374 HydrophobicContact CB-CD1 3.81Å; L349-L374 HydrophobicContact CB-CD2 4.41Å; N371-L374 WeakPolarHBondContact OD1-CA 3.12Å; N371-L374 WeakPolarHBondContact OD1-CB 3.27Å; N371-L374 PolarHBondContact OD1-N 3.32Å; L374-I377 HydrophobicContact CD2-CB 3.77Å; L374-I377 HydrophobicContact CD2-CD1 3.93Å; L374-I377 HydrophobicContact CD2-CG1 4.04Å; L374-R401 WeakPolarHBondContact O-CG 3.47Å; L374-I402 HydrophobicContact CB-CG1 4.45Å; L374-I402 HydrophobicContact CD2-CD1 4.38Å; L374-I402 WeakPolarHBondContact O-CA 3.15Å; L374-I402 VanDerWaalsContact O-CG1 3.27Å; L374-I402 WeakPolarHBondContact O-CG1 3.24Å; L374-I402 PolarHBondContact O-N 3.29Å
375	F	98.3	Very high	97.5	Very high	93 Å²	93	34.4 Å²	34.4	41%	0.408	19%	0.188	S	C	.	.			trans	-96.7	-35.6	-179.9	-179.9	-95.5	0	0	0	111.6	T347 T373 S403 V404	T347-F375 WeakPolarHBondContact O-CA 3.4Å; T347-F375 WeakPolarHBondContact O-CB 3.12Å; T347-F375 PolarHBondContact O-N 3.44Å; T373-F375 PolarHBondContact O-N 3.18Å; F375-S403 WeakPolarHBondContact CZ-OG 3.31Å; F375-S403 PolarHBondContact O-N 3.19Å; F375-V404 HydrophobicContact CE1-CG2 4.27Å; F375-V404 PolarHBondContact O-N 3.21Å; F375-V404 VanDerWaalsContact O-N 3.17Å
376	K	98.7	Very high	97.1	Very high	60 Å²	60	39 Å²	39	26%	0.261	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.6	-177.9	177.8	172.7	156.4	142.7	0	111	T347 Y348 L349 V404 Y406	T347-K376 PolarHBondContact O-N 3.47Å; Y348-K376 WeakPolarHBondContact CA-O 3.43Å; Y348-K376 HydrophobicContact CD2-CB 3.8Å; Y348-K376 HydrophobicContact CD2-CD 3.78Å; Y348-K376 HydrophobicContact CD2-CG 3.54Å; Y348-K376 HydrophobicContact CE2-CD 3.86Å; Y348-K376 HydrophobicContact CE2-CG 3.79Å; L349-K376 PolarHBondContact N-O 2.96Å; L349-K376 VanDerWaalsContact N-O 3.15Å; K376-V404 VanDerWaalsContact CA-O 3.3Å; K376-V404 WeakPolarHBondContact CA-O 3.46Å; K376-V404 HydrophobicContact CB-CB 4.11Å; K376-V404 HydrophobicContact CD-CB 4.17Å; K376-V404 HydrophobicContact CD-CG1 4Å; K376-V404 HydrophobicContact CG-CB 3.86Å; K376-V404 HydrophobicContact CG-CG1 3.94Å; K376-Y406 HydrophobicContact CD-CE2 4.13Å; K376-Y406 VanDerWaalsContact CE-CE2 3.42Å; K376-Y406 HydrophobicContact CG-CE2 4.22Å; K376-Y406 PolarHBondContact NZ-OH 2.76Å
377	I	98.7	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138	175.2	-165.2	173.6	0	0	0	110.9	L349 I368 L374 L379 I402 V404 C405 Y406	L349-I377 WeakPolarHBondContact O-CA 3.48Å; I368-I377 HydrophobicContact CD1-CD1 3.8Å; I368-I377 HydrophobicContact CG1-CD1 4.13Å; L374-I377 HydrophobicContact CD2-CB 3.77Å; L374-I377 HydrophobicContact CD2-CD1 3.93Å; L374-I377 HydrophobicContact CD2-CG1 4.04Å; I377-L379 HydrophobicContact CD1-CD1 4.02Å; I377-L379 HydrophobicContact CD1-CD2 4.44Å; I377-L379 HydrophobicContact CD1-CG 4.07Å; I377-L379 HydrophobicContact CG1-CG 4.19Å; I377-I402 HydrophobicContact CG2-CD1 4.23Å; I377-I402 HydrophobicContact CG2-CG2 4.37Å; I377-V404 PolarHBondContact N-O 3.47Å; I377-C405 HydrophobicContact CG2-CB 4.27Å; I377-C405 WeakPolarHBondContact O-CA 3.39Å; I377-Y406 PolarHBondContact O-N 2.61Å
378	D	98.8	Very high	96.9	Very high	26 Å²	26	38.6 Å²	38.6	14%	0.139	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.8	171.2	-169.7	-12.3	0	0	0	110.2	L349 N350 L351 A352 S380 Y406	L349-D378 PolarHBondContact O-N 3.42Å; N350-D378 HydrophobicContact CB-CB 4.43Å; L351-D378 CarbonylContact C-O 3.46Å; L351-D378 WeakPolarHBondContact CA-O 3.34Å; L351-D378 PolarHBondContact N-O 3.19Å; A352-D378 PolarHBondContact N-O 2.99Å; D378-S380 WeakPolarHBondContact OD1-CB 3.27Å; D378-S380 PolarHBondContact OD1-N 2.84Å; D378-S380 PolarHBondContact OD1-OG 3.4Å; D378-Y406 HydrophobicContact CB-CD2 4.05Å; D378-Y406 HydrophobicContact CB-CG 4.45Å; D378-Y406 WeakPolarHBondContact OD1-CB 3.36Å
379	L	98.6	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.			trans	-115.1	15.3	176.9	-71.8	166.5	0	0	0	111.3	L351 L364 I368 I377 N382 I384 I392 Y406 L407 N410	L351-L379 HydrophobicContact CB-CD2 4.01Å; L351-L379 HydrophobicContact CD1-CD2 4.07Å; L364-L379 HydrophobicContact CD1-CD2 4.06Å; I368-L379 HydrophobicContact CD1-CD1 4.12Å; I377-L379 HydrophobicContact CD1-CD1 4.02Å; I377-L379 HydrophobicContact CD1-CD2 4.44Å; I377-L379 HydrophobicContact CD1-CG 4.07Å; I377-L379 HydrophobicContact CG1-CG 4.19Å; L379-N382 PolarHBondContact O-ND2 3.39Å; L379-I384 HydrophobicContact CB-CD1 4.23Å; L379-I392 HydrophobicContact CD1-CD1 3.97Å; L379-I392 HydrophobicContact CD1-CG2 4.14Å; L379-Y406 PolarHBondContact N-O 3.37Å; L379-L407 HydrophobicContact CB-CD2 4.18Å; L379-L407 HydrophobicContact CD1-CD2 4.14Å; L379-N410 PolarHBondContact O-ND2 2.88Å
380	S	98.3	Very high	96.8	Very high	15 Å²	15	38.7 Å²	38.7	11%	0.105	20%	0.203	C	C	.	.			trans	-62.9	153.5	-172.7	-54.3	0	0	0	0	112.6	A352 R353 D378 N382 Y406 S408	A352-S380 CarbonylContact C-O 3.54Å; A352-S380 WeakPolarHBondContact CA-O 3.48Å; A352-S380 VanDerWaalsContact CB-O 3.28Å; A352-S380 WeakPolarHBondContact CB-O 3.4Å; R353-S380 PolarHBondContact N-O 3.4Å; D378-S380 WeakPolarHBondContact OD1-CB 3.27Å; D378-S380 PolarHBondContact OD1-N 2.84Å; D378-S380 PolarHBondContact OD1-OG 3.4Å; S380-N382 VanDerWaalsContact C-N 3.31Å; S380-N382 PolarHBondContact O-N 3.41Å; S380-N382 PolarHBondContact O-ND2 3.44Å; S380-Y406 WeakPolarHBondContact OG-CB 3.31Å; S380-S408 CarbonylContact C-O 3.54Å; S380-S408 WeakPolarHBondContact CA-O 3.43Å; S380-S408 WeakPolarHBondContact CB-O 3.42Å
381	W	97.5	Very high	96.9	Very high	108 Å²	108	36.9 Å²	36.9	41%	0.409	19%	0.189	S	C	.	.	S	Bend	trans	61.7	38.3	172.8	-118.4	76.8	0	0	0	113.3	R353 S408 W409	R353-W381 VanDerWaalsContact CA-O 3.31Å; R353-W381 WeakPolarHBondContact CA-O 2.9Å; R353-W381 HydrophobicContact CG-CB 3.68Å; R353-W381 HydrophobicContact CG-CD2 4.29Å; R353-W381 HydrophobicContact CG-CE3 4.01Å; R353-W381 HydrophobicContact CG-CG 4.19Å; R353-W381 PolarHBondContact N-O 2.99Å; W381-S408 PolarHBondContact N-O 2.96Å; W381-W409 HydrophobicContact CB-CB 4.38Å; W381-W409 VanDerWaalsContact CD1-CB 3.42Å; W381-W409 AromaticContact CD1-CD1 3.27Å; W381-W409 AromaticContact CD1-CD2 3.83Å; W381-W409 AromaticContact CD1-CG 3.21Å; W381-W409 AromaticContact CD1-NE1 3.82Å; W381-W409 HydrophobicContact CG-CB 4.06Å; W381-W409 HydrophobicContact CG-CG 4.25Å; W381-W409 AromaticContact NE1-CD1 3.57Å; W381-W409 AromaticContact NE1-CD2 3.51Å; W381-W409 AromaticContact NE1-CE2 3.65Å; W381-W409 AromaticContact NE1-CG 3.44Å; W381-W409 AromaticContact NE1-NE1 3.64Å
382	N	98.1	Very high	96.9	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.048	19%	0.187	C	C	.	.			trans	-108.4	178.3	170.6	-77.1	-66.9	0	0	0	110.2	L351 N354 Q355 I356 L379 S380 I384 N410	L351-N382 PolarHBondContact O-ND2 3.45Å; N354-N382 VanDerWaalsContact C-OD1 3.31Å; N354-N382 WeakPolarHBondContact CA-OD1 3.37Å; N354-N382 PolarHBondContact N-OD1 3.45Å; Q355-N382 PolarHBondContact N-OD1 2.84Å; I356-N382 HydrophobicContact CB-CB 4.12Å; I356-N382 PolarHBondContact N-OD1 3.48Å; I356-N382 WeakPolarHBondContact O-CB 3.4Å; L379-N382 PolarHBondContact O-ND2 3.39Å; S380-N382 VanDerWaalsContact C-N 3.31Å; S380-N382 PolarHBondContact O-N 3.41Å; S380-N382 PolarHBondContact O-ND2 3.44Å; N382-I384 HydrophobicContact CB-CD1 4.18Å; N382-I384 HydrophobicContact CB-CG1 3.87Å; N382-N410 WeakPolarHBondContact CA-OD1 3.27Å; N382-N410 VanDerWaalsContact CB-OD1 3.25Å; N382-N410 WeakPolarHBondContact CB-OD1 3.49Å; N382-N410 PolarHBondContact N-OD1 3.24Å; N382-N410 PolarHBondContact O-OD1 3.35Å
383	S	94.9	Very high	96.9	Very high	82 Å²	82	33.1 Å²	33.1	57%	0.573	17%	0.168	S	C	*	.			trans	-103.3	31.1	179.7	-62.4	0	0	0	0	112.1	I356 G357 A385	I356-S383 CarbonylContact O-C 3.3Å; I356-S383 VanDerWaalsContact O-CA 3.3Å; I356-S383 WeakPolarHBondContact O-CA 3.33Å; I356-S383 PolarHBondContact O-N 3.29Å; G357-S383 WeakPolarHBondContact CA-O 3.37Å; S383-A385 PolarHBondContact O-N 2.96Å
384	I	96.6	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.			trans	-56.3	-59.1	-167	-68.2	177.4	0	0	0	111.3	I356 S358 A361 L379 N382 A389 I392 N410	I356-I384 HydrophobicContact CG2-CG1 4.4Å; I356-I384 PolarHBondContact O-N 3.36Å; I356-I384 VanDerWaalsContact O-N 3.11Å; S358-I384 WeakPolarHBondContact CA-O 3.46Å; S358-I384 PolarHBondContact N-O 3.06Å; S358-I384 PolarHBondContact OG-O 3.29Å; A361-I384 HydrophobicContact CB-CB 4.31Å; A361-I384 HydrophobicContact CB-CG1 4.13Å; A361-I384 HydrophobicContact CB-CG2 3.59Å; L379-I384 HydrophobicContact CB-CD1 4.23Å; N382-I384 HydrophobicContact CB-CD1 4.18Å; N382-I384 HydrophobicContact CB-CG1 3.87Å; I384-A389 HydrophobicContact CG2-CB 4.1Å; I384-I392 HydrophobicContact CD1-CG1 4.42Å; I384-I392 HydrophobicContact CG2-CG1 4.33Å; I384-N410 HydrophobicContact CB-CB 4.21Å; I384-N410 WeakPolarHBondContact CD1-OD1 3.49Å; I384-N410 WeakPolarHBondContact CG1-OD1 3.47Å
385	A	92.1	Very high	96.9	Very high	23 Å²	23	36.2 Å²	36.2	19%	0.19	18%	0.181	C	C	.	.	H	α-helix	trans	46.5	158.4	173.8	0	0	0	0	0	117.6	S358 S383 K387 G388 A389 N410	S358-A385 PolarHBondContact OG-O 2.95Å; S383-A385 PolarHBondContact O-N 2.96Å; A385-K387 PolarHBondContact O-N 2.81Å; A385-G388 PolarHBondContact O-N 3.38Å; A385-A389 PolarHBondContact O-N 3.12Å; A385-A389 VanDerWaalsContact O-N 3.14Å; A385-N410 WeakPolarHBondContact CA-O 3.34Å; A385-N410 PolarHBondContact N-O 3.46Å
386	N	88.6	Confident	96.9	Very high	98 Å²	98	32 Å²	32	52%	0.524	16%	0.163	S	C	.	.	H	α-helix	trans	42.8	-104.6	165.6	-60.4	-30.4	0	0	0	115.5	L390	N386-L390 PolarHBondContact O-N 3.03Å
387	K	95.6	Very high	96.8	Very high	101 Å²	101	31 Å²	31	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-66.2	-52.2	-178.6	-174.3	-163.2	165.6	-157.4	0	110.9	E362 A385 A389 L390 D391	E362-K387 IonicContact OE1-NZ 3.99Å; E362-K387 IonicContact OE2-NZ 2.99Å; E362-K387 PolarHBondContact OE2-NZ 3.25Å; A385-K387 PolarHBondContact O-N 2.81Å; K387-A389 PolarHBondContact O-N 2.8Å; K387-L390 WeakPolarHBondContact O-CA 3.24Å; K387-L390 VanDerWaalsContact O-CB 3.29Å; K387-L390 WeakPolarHBondContact O-CB 3.08Å; K387-L390 PolarHBondContact O-N 2.92Å; K387-D391 PolarHBondContact O-N 2.85Å
388	G	96.8	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-36.9	178.7	0	0	0	0	0	112.8	S358 A385 L390 D391 I392	S358-G388 PolarHBondContact OG-N 3.48Å; A385-G388 PolarHBondContact O-N 3.38Å; G388-L390 VanDerWaalsContact C-N 3.31Å; G388-L390 PolarHBondContact O-N 3.25Å; G388-D391 PolarHBondContact O-N 3.46Å; G388-I392 WeakPolarHBondContact O-CG1 3.43Å; G388-I392 PolarHBondContact O-N 3.42Å
389	A	97.3	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-37.5	177.9	0	0	0	0	0	111.4	I384 A385 K387 A393 F412	I384-A389 HydrophobicContact CG2-CB 4.1Å; A385-A389 PolarHBondContact O-N 3.12Å; A385-A389 VanDerWaalsContact O-N 3.14Å; K387-A389 PolarHBondContact O-N 2.8Å; A389-A393 VanDerWaalsContact O-CB 3.3Å; A389-A393 WeakPolarHBondContact O-CB 3.38Å; A389-A393 PolarHBondContact O-N 2.87Å; A389-F412 HydrophobicContact CB-CD1 3.95Å; A389-F412 HydrophobicContact CB-CD2 4.09Å; A389-F412 HydrophobicContact CB-CE1 3.82Å; A389-F412 HydrophobicContact CB-CE2 3.97Å; A389-F412 HydrophobicContact CB-CG 4.07Å; A389-F412 HydrophobicContact CB-CZ 3.82Å; A389-F412 VanDerWaalsContact O-CE1 3.27Å; A389-F412 WeakPolarHBondContact O-CE1 3.49Å
390	L	97.4	Very high	96.5	Very high	35 Å²	35	41.7 Å²	41.7	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-40.7	172.9	179.2	66.3	0	0	0	111.8	N386 K387 G388 A393 K394 E419	N386-L390 PolarHBondContact O-N 3.03Å; K387-L390 WeakPolarHBondContact O-CA 3.24Å; K387-L390 VanDerWaalsContact O-CB 3.29Å; K387-L390 WeakPolarHBondContact O-CB 3.08Å; K387-L390 PolarHBondContact O-N 2.92Å; G388-L390 VanDerWaalsContact C-N 3.31Å; G388-L390 PolarHBondContact O-N 3.25Å; L390-A393 PolarHBondContact O-N 2.71Å; L390-K394 WeakPolarHBondContact O-CG 3.45Å; L390-K394 PolarHBondContact O-N 3.35Å; L390-E419 HydrophobicContact CD1-CB 3.61Å; L390-E419 HydrophobicContact CD1-CG 3.73Å
391	D	97.8	Very high	96.4	Very high	24 Å²	24	47.1 Å²	47.1	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-41.1	-179.1	-62.5	-36.1	0	0	0	111.6	K387 G388 A393 K394 G395	K387-D391 PolarHBondContact O-N 2.85Å; G388-D391 PolarHBondContact O-N 3.46Å; D391-A393 VanDerWaalsContact C-N 3.34Å; D391-A393 PolarHBondContact O-N 3.31Å; D391-K394 PolarHBondContact O-N 2.95Å; D391-K394 IonicContact OD1-NZ 2.63Å; D391-G395 PolarHBondContact O-N 3.45Å
392	I	98.2	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-42.5	170	-64.8	-67.2	0	0	0	111.2	A361 L364 I368 L379 I384 G388 K394 G395 L396 L407	A361-I392 HydrophobicContact CB-CD1 4.33Å; A361-I392 HydrophobicContact CB-CG1 3.97Å; A361-I392 WeakPolarHBondContact O-CD1 3.38Å; L364-I392 HydrophobicContact CB-CD1 3.92Å; I368-I392 HydrophobicContact CD1-CD1 3.94Å; L379-I392 HydrophobicContact CD1-CD1 3.97Å; L379-I392 HydrophobicContact CD1-CG2 4.14Å; I384-I392 HydrophobicContact CD1-CG1 4.42Å; I384-I392 HydrophobicContact CG2-CG1 4.33Å; G388-I392 WeakPolarHBondContact O-CG1 3.43Å; G388-I392 PolarHBondContact O-N 3.42Å; I392-K394 PolarHBondContact O-N 2.79Å; I392-G395 PolarHBondContact O-N 2.92Å; I392-L396 HydrophobicContact CG2-CD1 3.94Å; I392-L396 HydrophobicContact CG2-CG 4.41Å; I392-L396 WeakPolarHBondContact O-CG 3.25Å; I392-L396 PolarHBondContact O-N 3.33Å; I392-L407 HydrophobicContact CG2-CD2 3.74Å
393	A	97.6	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178.8	0	0	0	0	0	112.3	A389 L390 D391 L396 K397 F412 E419 I423	A389-A393 VanDerWaalsContact O-CB 3.3Å; A389-A393 WeakPolarHBondContact O-CB 3.38Å; A389-A393 PolarHBondContact O-N 2.87Å; L390-A393 PolarHBondContact O-N 2.71Å; D391-A393 VanDerWaalsContact C-N 3.34Å; D391-A393 PolarHBondContact O-N 3.31Å; A393-L396 PolarHBondContact O-N 3.32Å; A393-K397 WeakPolarHBondContact O-CB 3.34Å; A393-K397 PolarHBondContact O-N 3.27Å; A393-F412 HydrophobicContact CB-CE1 4.34Å; A393-E419 HydrophobicContact CB-CB 3.86Å; A393-E419 HydrophobicContact CB-CG 3.59Å; A393-I423 HydrophobicContact CB-CD1 3.88Å; A393-I423 HydrophobicContact CB-CG1 4.46Å; A393-I423 WeakPolarHBondContact O-CG1 3.5Å
394	K	97.2	Very high	96.7	Very high	83 Å²	83	38.6 Å²	38.6	36%	0.361	19%	0.186	S	C	.	.	H	α-helix	trans	-63.3	-43.8	173.7	-72.1	172	-176.3	166.1	0	111.8	L390 D391 I392 L396 K397 E398 E419	L390-K394 WeakPolarHBondContact O-CG 3.45Å; L390-K394 PolarHBondContact O-N 3.35Å; D391-K394 PolarHBondContact O-N 2.95Å; D391-K394 IonicContact OD1-NZ 2.63Å; I392-K394 PolarHBondContact O-N 2.79Å; K394-L396 VanDerWaalsContact C-N 3.35Å; K394-L396 PolarHBondContact O-N 3.32Å; K394-K397 WeakPolarHBondContact O-CB 3.49Å; K394-K397 PolarHBondContact O-N 2.97Å; K394-E398 PolarHBondContact O-N 3.25Å; K394-E419 HydrophobicContact CG-CG 4.42Å
395	G	97.7	Very high	96.8	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-46	177.2	0	0	0	0	0	112.5	G365 D391 I392 E398 N399	G365-G395 WeakPolarHBondContact O-CA 3.39Å; D391-G395 PolarHBondContact O-N 3.45Å; I392-G395 PolarHBondContact O-N 2.92Å; G395-E398 PolarHBondContact O-N 2.96Å; G395-N399 WeakPolarHBondContact O-CB 3.38Å; G395-N399 PolarHBondContact O-N 2.99Å
396	L	97.8	Very high	97.1	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-37.2	176.2	-72.9	170.3	0	0	0	113	I368 I392 A393 K394 E398 N399 I402 C405 L407 I423 N427	I368-L396 HydrophobicContact CG2-CD2 3.96Å; I368-L396 HydrophobicContact CG2-CG 4.3Å; I392-L396 HydrophobicContact CG2-CD1 3.94Å; I392-L396 HydrophobicContact CG2-CG 4.41Å; I392-L396 WeakPolarHBondContact O-CG 3.25Å; I392-L396 PolarHBondContact O-N 3.33Å; A393-L396 PolarHBondContact O-N 3.32Å; K394-L396 VanDerWaalsContact C-N 3.35Å; K394-L396 PolarHBondContact O-N 3.32Å; L396-E398 VanDerWaalsContact C-N 3.29Å; L396-E398 PolarHBondContact O-N 2.98Å; L396-N399 PolarHBondContact O-N 2.97Å; L396-I402 HydrophobicContact CD2-CD1 3.95Å; L396-I402 HydrophobicContact CD2-CG2 4.17Å; L396-C405 HydrophobicContact CD1-CB 4.42Å; L396-C405 VanDerWaalsContact CD1-SG 3.53Å; L396-C405 HydrophobicContact CD2-CB 4.31Å; L396-L407 HydrophobicContact CD1-CD1 3.8Å; L396-I423 HydrophobicContact CB-CD1 4.19Å; L396-I423 HydrophobicContact CD1-CD1 4.47Å; L396-N427 PolarHBondContact O-ND2 2.79Å
397	K	96.6	Very high	97.5	Very high	39 Å²	39	34.8 Å²	34.8	17%	0.17	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-43.2	176.4	-179.1	-178.8	68.9	-174.2	0	111.7	A393 K394 E419 Q422 I423 E426 N427	A393-K397 WeakPolarHBondContact O-CB 3.34Å; A393-K397 PolarHBondContact O-N 3.27Å; K394-K397 WeakPolarHBondContact O-CB 3.49Å; K394-K397 PolarHBondContact O-N 2.97Å; K397-E419 IonicContact NZ-OE1 3.84Å; K397-E419 PolarHBondContact NZ-OE1 3.01Å; K397-Q422 HydrophobicContact CD-CB 4.36Å; K397-Q422 HydrophobicContact CD-CG 3.66Å; K397-I423 HydrophobicContact CB-CG1 4.18Å; K397-E426 HydrophobicContact CD-CB 4.42Å; K397-E426 WeakPolarHBondContact CD-OE2 3.5Å; K397-E426 HydrophobicContact CG-CB 4.03Å; K397-N427 PolarHBondContact O-ND2 2.9Å
398	E	96.3	Very high	97.6	Very high	123 Å²	123	30.1 Å²	30.1	58%	0.575	14%	0.139	S	C	*	.	H	α-helix	trans	-84	-19.7	-177.6	-66.2	179.1	-176	0	0	113.8	K394 G395 L396	K394-E398 PolarHBondContact O-N 3.25Å; G395-E398 PolarHBondContact O-N 2.96Å; L396-E398 VanDerWaalsContact C-N 3.29Å; L396-E398 PolarHBondContact O-N 2.98Å
399	N	97.7	Very high	97.6	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	16%	0.157	C	C	.	.			trans	-64.2	140	-177.1	-176.7	-83.8	0	0	0	112.7	I368 N371 G395 L396 R401 I402 N427	I368-N399 HydrophobicContact CG2-CB 4.29Å; I368-N399 PolarHBondContact O-ND2 2.72Å; N371-N399 PolarHBondContact O-ND2 3.28Å; G395-N399 WeakPolarHBondContact O-CB 3.38Å; G395-N399 PolarHBondContact O-N 2.99Å; L396-N399 PolarHBondContact O-N 2.97Å; N399-R401 PolarHBondContact OD1-N 2.76Å; N399-I402 WeakPolarHBondContact OD1-CB 3.25Å; N399-I402 WeakPolarHBondContact OD1-CG1 3.36Å; N399-I402 PolarHBondContact OD1-N 2.95Å; N399-N427 PolarHBondContact O-ND2 3.27Å
400	I	96.4	Very high	97.6	Very high	123 Å²	123	35 Å²	35	63%	0.631	16%	0.158	S	C	*	.	S	Bend	trans	-108.5	12.9	-173.7	63.6	164.5	0	0	0	114.4	D372 T429	D372-I400 HydrophobicContact CB-CD1 4.46Å; I400-T429 WeakPolarHBondContact O-CG2 3.26Å
401	R	97.2	Very high	97.4	Very high	129 Å²	129	33.9 Å²	33.9	49%	0.487	16%	0.155	S	C	.	.	S	Bend	trans	-140.6	-40.4	-172.3	-172.2	63.9	176.4	-158	0.3	115.5	D372 L374 N399 S403	D372-R401 WeakPolarHBondContact O-CG 3.38Å; L374-R401 WeakPolarHBondContact O-CG 3.47Å; N399-R401 PolarHBondContact OD1-N 2.76Å; R401-S403 PolarHBondContact O-N 3.23Å
402	I	98.4	Very high	97.3	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	15%	0.149	C	C	.	.			trans	-59.9	127.4	-176.8	-66.8	172.3	0	0	0	108.5	I368 L374 I377 L396 N399 C405 T429 L430	I368-I402 HydrophobicContact CG2-CD1 3.69Å; L374-I402 HydrophobicContact CB-CG1 4.45Å; L374-I402 HydrophobicContact CD2-CD1 4.38Å; L374-I402 WeakPolarHBondContact O-CA 3.15Å; L374-I402 VanDerWaalsContact O-CG1 3.27Å; L374-I402 WeakPolarHBondContact O-CG1 3.24Å; L374-I402 PolarHBondContact O-N 3.29Å; I377-I402 HydrophobicContact CG2-CD1 4.23Å; I377-I402 HydrophobicContact CG2-CG2 4.37Å; L396-I402 HydrophobicContact CD2-CD1 3.95Å; L396-I402 HydrophobicContact CD2-CG2 4.17Å; N399-I402 WeakPolarHBondContact OD1-CB 3.25Å; N399-I402 WeakPolarHBondContact OD1-CG1 3.36Å; N399-I402 PolarHBondContact OD1-N 2.95Å; I402-C405 HydrophobicContact CG2-CB 4.32Å; I402-T429 CarbonylContact O-C 3.5Å; I402-T429 PolarHBondContact O-OG1 2.91Å; I402-L430 HydrophobicContact CG2-CD1 4.18Å; I402-L430 PolarHBondContact O-N 3.36Å
403	S	98.3	Very high	97.1	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.049	15%	0.153	C	C	.	.			trans	-111.8	-31	-179.5	-174.5	0	0	0	0	111.3	F375 R401 E431 E432	F375-S403 WeakPolarHBondContact CZ-OG 3.31Å; F375-S403 PolarHBondContact O-N 3.19Å; R401-S403 PolarHBondContact O-N 3.23Å; S403-E431 WeakPolarHBondContact O-CA 3.18Å; S403-E431 PolarHBondContact O-N 2.83Å; S403-E431 WeakPolarHBondContact OG-CB 3.42Å; S403-E431 WeakPolarHBondContact OG-CG 3.2Å; S403-E432 PolarHBondContact O-N 3.37Å
404	V	98.7	Very high	97	Very high	10 Å²	10	38.4 Å²	38.4	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122	-178.9	-178.2	0	0	0	0	110	F375 K376 I377 Y406 E432 Y434	F375-V404 HydrophobicContact CE1-CG2 4.27Å; F375-V404 PolarHBondContact O-N 3.21Å; F375-V404 VanDerWaalsContact O-N 3.17Å; K376-V404 VanDerWaalsContact CA-O 3.3Å; K376-V404 WeakPolarHBondContact CA-O 3.46Å; K376-V404 HydrophobicContact CB-CB 4.11Å; K376-V404 HydrophobicContact CD-CB 4.17Å; K376-V404 HydrophobicContact CD-CG1 4Å; K376-V404 HydrophobicContact CG-CB 3.86Å; K376-V404 HydrophobicContact CG-CG1 3.94Å; I377-V404 PolarHBondContact N-O 3.47Å; V404-Y406 HydrophobicContact CG1-CD2 4.22Å; V404-Y406 HydrophobicContact CG1-CE2 3.41Å; V404-Y406 VanDerWaalsContact CG1-CE2 3.41Å; V404-E432 WeakPolarHBondContact CA-O 3.41Å; V404-E432 HydrophobicContact CB-CB 4.41Å; V404-E432 HydrophobicContact CG1-CB 4.13Å; V404-E432 HydrophobicContact CG2-CB 4.12Å; V404-E432 HydrophobicContact CG2-CG 4.11Å; V404-Y434 HydrophobicContact CG1-CE2 4.09Å
405	C	98.6	Very high	96.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.4	179.3	-170.2	0	0	0	0	111.8	I377 L396 I402 L430 E432 L433 Y434	I377-C405 HydrophobicContact CG2-CB 4.27Å; I377-C405 WeakPolarHBondContact O-CA 3.39Å; L396-C405 HydrophobicContact CD1-CB 4.42Å; L396-C405 VanDerWaalsContact CD1-SG 3.53Å; L396-C405 HydrophobicContact CD2-CB 4.31Å; I402-C405 HydrophobicContact CG2-CB 4.32Å; C405-L430 HydrophobicContact CB-CD1 3.91Å; C405-E432 PolarHBondContact N-O 3.46Å; C405-L433 HydrophobicContact CB-CD1 4.34Å; C405-Y434 PolarHBondContact O-N 3.34Å
406	Y	98.7	Very high	96.8	Very high	41 Å²	41	42 Å²	42	16%	0.161	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120	172.5	-54.2	-95.3	0	0	0	110.8	K376 I377 D378 L379 S380 V404 Y434	K376-Y406 HydrophobicContact CD-CE2 4.13Å; K376-Y406 VanDerWaalsContact CE-CE2 3.42Å; K376-Y406 HydrophobicContact CG-CE2 4.22Å; K376-Y406 PolarHBondContact NZ-OH 2.76Å; I377-Y406 PolarHBondContact O-N 2.61Å; D378-Y406 HydrophobicContact CB-CD2 4.05Å; D378-Y406 HydrophobicContact CB-CG 4.45Å; D378-Y406 WeakPolarHBondContact OD1-CB 3.36Å; L379-Y406 PolarHBondContact N-O 3.37Å; S380-Y406 WeakPolarHBondContact OG-CB 3.31Å; V404-Y406 HydrophobicContact CG1-CD2 4.22Å; V404-Y406 HydrophobicContact CG1-CE2 3.41Å; V404-Y406 VanDerWaalsContact CG1-CE2 3.41Å; Y406-Y434 HydrophobicContact CD1-CD1 4.2Å; Y406-Y434 AromaticContact CD1-CD2 3.37Å; Y406-Y434 HydrophobicContact CD1-CD2 3.37Å; Y406-Y434 HydrophobicContact CD1-CE2 4.02Å; Y406-Y434 AromaticContact CD1-CG 3.48Å; Y406-Y434 HydrophobicContact CD1-CG 3.48Å; Y406-Y434 VanDerWaalsContact CD1-CG 3.48Å; Y406-Y434 HydrophobicContact CE1-CD1 4Å; Y406-Y434 AromaticContact CE1-CD2 3.24Å; Y406-Y434 HydrophobicContact CE1-CD2 3.24Å; Y406-Y434 HydrophobicContact CE1-CE1 4.1Å; Y406-Y434 AromaticContact CE1-CE2 3.37Å; Y406-Y434 HydrophobicContact CE1-CE2 3.37Å; Y406-Y434 AromaticContact CE1-CG 3.58Å; Y406-Y434 HydrophobicContact CE1-CG 3.58Å; Y406-Y434 AromaticContact CE1-CZ 3.82Å; Y406-Y434 HydrophobicContact CE2-CD2 4.44Å; Y406-Y434 HydrophobicContact CE2-CE2 4.46Å; Y406-Y434 HydrophobicContact CG-CD2 4.06Å; Y406-Y434 HydrophobicContact CG-CG 4.41Å; Y406-Y434 AromaticContact CZ-CD2 3.83Å; Y406-Y434 AromaticContact CZ-CE2 3.63Å
407	L	98.3	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.			trans	-126.6	17.9	-176.5	-66.4	173.4	0	0	0	111.9	L379 I392 L396 N410 F412 L433 Y434 L435 N438	L379-L407 HydrophobicContact CB-CD2 4.18Å; L379-L407 HydrophobicContact CD1-CD2 4.14Å; I392-L407 HydrophobicContact CG2-CD2 3.74Å; L396-L407 HydrophobicContact CD1-CD1 3.8Å; L407-N410 PolarHBondContact O-ND2 3.48Å; L407-F412 HydrophobicContact CB-CD2 4.5Å; L407-F412 HydrophobicContact CB-CE2 3.87Å; L407-F412 HydrophobicContact CB-CZ 4.3Å; L407-F412 HydrophobicContact CD1-CE1 4.27Å; L407-F412 HydrophobicContact CD1-CE2 4.16Å; L407-F412 HydrophobicContact CD1-CZ 3.72Å; L407-F412 HydrophobicContact CD2-CE2 4.19Å; L407-F412 HydrophobicContact CD2-CZ 4.1Å; L407-F412 HydrophobicContact CG-CE2 4.3Å; L407-F412 HydrophobicContact CG-CZ 4.27Å; L407-L433 HydrophobicContact CD1-CD1 3.94Å; L407-Y434 CarbonylContact C-O 3.6Å; L407-Y434 WeakPolarHBondContact CA-O 2.88Å; L407-Y434 PolarHBondContact N-O 2.72Å; L407-L435 HydrophobicContact CB-CD2 3.91Å; L407-L435 HydrophobicContact CD1-CD2 4.09Å; L407-N438 PolarHBondContact O-ND2 2.75Å
408	S	97.3	Very high	96.6	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.021	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	147	-175.8	-37.1	0	0	0	0	111.2	S380 W381 N410 Y434 Q436	S380-S408 CarbonylContact C-O 3.54Å; S380-S408 WeakPolarHBondContact CA-O 3.43Å; S380-S408 WeakPolarHBondContact CB-O 3.42Å; W381-S408 PolarHBondContact N-O 2.96Å; S408-N410 PolarHBondContact O-N 3.24Å; S408-N410 PolarHBondContact O-ND2 3.03Å; S408-Y434 PolarHBondContact N-O 3.44Å; S408-Q436 CarbonylContact C-O 3.45Å; S408-Q436 WeakPolarHBondContact CA-O 3.45Å; S408-Q436 VanDerWaalsContact CB-O 3.23Å; S408-Q436 WeakPolarHBondContact CB-O 3.28Å; S408-Q436 PolarHBondContact OG-NE2 2.63Å; S408-Q436 PolarHBondContact OG-OE1 2.84Å
409	W	96.6	Very high	96.6	Very high	100 Å²	100	38.3 Å²	38.3	38%	0.379	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	47.1	178.3	-64.9	93.4	0	0	0	114.6	W381 Q436 H437	W381-W409 HydrophobicContact CB-CB 4.38Å; W381-W409 VanDerWaalsContact CD1-CB 3.42Å; W381-W409 AromaticContact CD1-CD1 3.27Å; W381-W409 AromaticContact CD1-CD2 3.83Å; W381-W409 AromaticContact CD1-CG 3.21Å; W381-W409 AromaticContact CD1-NE1 3.82Å; W381-W409 HydrophobicContact CG-CB 4.06Å; W381-W409 HydrophobicContact CG-CG 4.25Å; W381-W409 AromaticContact NE1-CD1 3.57Å; W381-W409 AromaticContact NE1-CD2 3.51Å; W381-W409 AromaticContact NE1-CE2 3.65Å; W381-W409 AromaticContact NE1-CG 3.44Å; W381-W409 AromaticContact NE1-NE1 3.64Å; W409-Q436 PolarHBondContact N-O 3.03Å; W409-H437 VanDerWaalsContact CA-O 3.3Å; W409-H437 WeakPolarHBondContact CA-O 3.19Å; W409-H437 AromaticContact CD1-CD2 3.9Å; W409-H437 AromaticContact CD1-CG 3.97Å; W409-H437 HydrophobicContact CD2-CB 3.39Å; W409-H437 AromaticContact CD2-CG 3.92Å; W409-H437 AromaticContact CE2-CD2 3.53Å; W409-H437 AromaticContact CE2-CG 3.21Å; W409-H437 AromaticContact CE2-ND1 3.63Å; W409-H437 HydrophobicContact CE3-CB 3.96Å; W409-H437 HydrophobicContact CG-CB 3.66Å; W409-H437 HydrophobicContact CH2-CB 4.27Å; W409-H437 AromaticContact CH2-ND1 3.72Å; W409-H437 HydrophobicContact CZ2-CB 3.75Å; W409-H437 AromaticContact CZ2-CD2 3.79Å; W409-H437 AromaticContact CZ2-CE1 3.56Å; W409-H437 AromaticContact CZ2-CG 3.35Å; W409-H437 AromaticContact CZ2-ND1 3.19Å; W409-H437 WeakPolarHBondContact CZ2-ND1 3.19Å; W409-H437 AromaticContact CZ2-NE2 3.88Å; W409-H437 HydrophobicContact CZ3-CB 4.36Å; W409-H437 PolarHBondContact N-O 3.48Å; W409-H437 AromaticContact NE1-CD2 3.11Å; W409-H437 PolarHBondContact NE1-CD2 3.38Å; W409-H437 AromaticContact NE1-CG 3.27Å; W409-H437 VanDerWaalsContact NE1-CG 3.27Å; W409-H437 AromaticContact NE1-NE2 3.81Å
410	N	97	Very high	96.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.178	C	C	.	.	S	Bend	trans	-124.6	4.7	177.7	-82	-61.1	0	0	0	114.6	L379 N382 I384 A385 L407 S408 F412 N438	L379-N410 PolarHBondContact O-ND2 2.88Å; N382-N410 WeakPolarHBondContact CA-OD1 3.27Å; N382-N410 VanDerWaalsContact CB-OD1 3.25Å; N382-N410 WeakPolarHBondContact CB-OD1 3.49Å; N382-N410 PolarHBondContact N-OD1 3.24Å; N382-N410 PolarHBondContact O-OD1 3.35Å; I384-N410 HydrophobicContact CB-CB 4.21Å; I384-N410 WeakPolarHBondContact CD1-OD1 3.49Å; I384-N410 WeakPolarHBondContact CG1-OD1 3.47Å; A385-N410 WeakPolarHBondContact CA-O 3.34Å; A385-N410 PolarHBondContact N-O 3.46Å; L407-N410 PolarHBondContact O-ND2 3.48Å; S408-N410 PolarHBondContact O-N 3.24Å; S408-N410 PolarHBondContact O-ND2 3.03Å; N410-F412 HydrophobicContact CB-CD2 3.85Å; N410-F412 HydrophobicContact CB-CE2 3.75Å; N410-N438 WeakPolarHBondContact CA-OD1 3.4Å; N410-N438 PolarHBondContact N-OD1 3.33Å
411	G	93.1	Very high	96.5	Very high	11 Å²	11	32.5 Å²	32.5	11%	0.113	15%	0.15	C	C	.	.			trans	71.6	26.7	176.4	0	0	0	0	0	115.4	S413 N438	G411-S413 PolarHBondContact O-N 3.4Å; G411-S413 VanDerWaalsContact O-N 3.1Å; G411-S413 PolarHBondContact O-OG 3.4Å; G411-N438 PolarHBondContact N-OD1 3.05Å
412	F	96.1	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.			trans	-55.4	116.9	172.3	-78.7	-103.8	0	0	0	110.1	A389 A393 L407 N410 S416 V420 L435 N438 R439 I440	A389-F412 HydrophobicContact CB-CD1 3.95Å; A389-F412 HydrophobicContact CB-CD2 4.09Å; A389-F412 HydrophobicContact CB-CE1 3.82Å; A389-F412 HydrophobicContact CB-CE2 3.97Å; A389-F412 HydrophobicContact CB-CG 4.07Å; A389-F412 HydrophobicContact CB-CZ 3.82Å; A389-F412 VanDerWaalsContact O-CE1 3.27Å; A389-F412 WeakPolarHBondContact O-CE1 3.49Å; A393-F412 HydrophobicContact CB-CE1 4.34Å; L407-F412 HydrophobicContact CB-CD2 4.5Å; L407-F412 HydrophobicContact CB-CE2 3.87Å; L407-F412 HydrophobicContact CB-CZ 4.3Å; L407-F412 HydrophobicContact CD1-CE1 4.27Å; L407-F412 HydrophobicContact CD1-CE2 4.16Å; L407-F412 HydrophobicContact CD1-CZ 3.72Å; L407-F412 HydrophobicContact CD2-CE2 4.19Å; L407-F412 HydrophobicContact CD2-CZ 4.1Å; L407-F412 HydrophobicContact CG-CE2 4.3Å; L407-F412 HydrophobicContact CG-CZ 4.27Å; N410-F412 HydrophobicContact CB-CD2 3.85Å; N410-F412 HydrophobicContact CB-CE2 3.75Å; F412-S416 WeakPolarHBondContact CA-OG 3.32Å; F412-V420 HydrophobicContact CD1-CG2 4Å; F412-V420 HydrophobicContact CE1-CG2 4.42Å; F412-L435 HydrophobicContact CD1-CD2 4.43Å; F412-L435 HydrophobicContact CD2-CD2 4.37Å; F412-L435 HydrophobicContact CG-CD2 4.23Å; F412-N438 HydrophobicContact CB-CB 3.97Å; F412-N438 WeakPolarHBondContact CD2-OD1 3.36Å; F412-N438 PolarHBondContact N-OD1 3.11Å; F412-R439 CarbonylContact O-C 3.41Å; F412-R439 VanDerWaalsContact O-CA 3.28Å; F412-R439 WeakPolarHBondContact O-CA 3.33Å; F412-R439 PolarHBondContact O-N 3.48Å; F412-I440 PolarHBondContact O-N 3.03Å
413	S	94.4	Very high	96.3	Very high	11 Å²	11	28.6 Å²	28.6	8%	0.077	14%	0.137	C	C	.	.			trans	-152.9	164	-175.1	40.3	0	0	0	0	111.1	G411 K415 S416 G417	G411-S413 PolarHBondContact O-N 3.4Å; G411-S413 VanDerWaalsContact O-N 3.1Å; G411-S413 PolarHBondContact O-OG 3.4Å; S413-K415 PolarHBondContact O-N 3.08Å; S413-K415 VanDerWaalsContact O-N 3.13Å; S413-S416 PolarHBondContact N-OG 3.48Å; S413-S416 PolarHBondContact O-N 2.93Å; S413-S416 PolarHBondContact O-OG 3.27Å; S413-G417 PolarHBondContact O-N 2.82Å; S413-G417 VanDerWaalsContact O-N 3.14Å
414	D	94.8	Very high	96.1	Very high	107 Å²	107	28.5 Å²	28.5	57%	0.572	14%	0.136	S	C	*	.	H	α-helix	trans	43.6	-116	173.5	-61.1	-38.9	0	0	0	112.4	S416 G417 L418	D414-S416 PolarHBondContact O-N 3.35Å; D414-G417 PolarHBondContact O-N 3.1Å; D414-L418 WeakPolarHBondContact O-CG 3.5Å; D414-L418 PolarHBondContact O-N 3.49Å
415	K	95.8	Very high	95.8	Very high	163 Å²	163	32.4 Å²	32.4	71%	0.709	15%	0.153	S	C	*	.	H	α-helix	trans	-59.1	-42.6	-179.3	-65.4	-177.6	-179.6	177.6	0	112.9	S413 L418 E419	S413-K415 PolarHBondContact O-N 3.08Å; S413-K415 VanDerWaalsContact O-N 3.13Å; K415-L418 PolarHBondContact O-N 3.1Å; K415-E419 PolarHBondContact O-N 2.99Å
416	S	95	Very high	95.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-68.8	-35.5	179.5	63.4	0	0	0	0	111.9	F412 S413 D414 E419 V420	F412-S416 WeakPolarHBondContact CA-OG 3.32Å; S413-S416 PolarHBondContact N-OG 3.48Å; S413-S416 PolarHBondContact O-N 2.93Å; S413-S416 PolarHBondContact O-OG 3.27Å; D414-S416 PolarHBondContact O-N 3.35Å; S416-E419 PolarHBondContact O-N 3.41Å; S416-V420 PolarHBondContact O-N 2.73Å
417	G	93.5	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.4	-31.9	174.1	0	0	0	0	0	113.1	S413 D414 V420	S413-G417 PolarHBondContact O-N 2.82Å; S413-G417 VanDerWaalsContact O-N 3.14Å; D414-G417 PolarHBondContact O-N 3.1Å; G417-V420 WeakPolarHBondContact O-CB 3.36Å; G417-V420 PolarHBondContact O-N 2.82Å
418	L	95.9	Very high	95.2	Very high	53 Å²	53	39 Å²	39	28%	0.277	19%	0.19	S	C	.	.	H	α-helix	trans	-69.1	-35.4	170.2	-65.5	174.2	0	0	0	112	D414 K415 V420 A421 E444 T447	D414-L418 WeakPolarHBondContact O-CG 3.5Å; D414-L418 PolarHBondContact O-N 3.49Å; K415-L418 PolarHBondContact O-N 3.1Å; L418-V420 PolarHBondContact O-N 2.68Å; L418-A421 VanDerWaalsContact O-CB 3.29Å; L418-A421 WeakPolarHBondContact O-CB 3.19Å; L418-A421 PolarHBondContact O-N 2.84Å; L418-A421 VanDerWaalsContact O-N 3.1Å; L418-E444 HydrophobicContact CD2-CG 4.27Å; L418-E444 HydrophobicContact CG-CG 4.27Å; L418-T447 HydrophobicContact CD2-CG2 3.92Å; L418-T447 WeakPolarHBondContact CD2-OG1 3.38Å
419	E	96.6	Very high	95.2	Very high	34 Å²	34	40.3 Å²	40.3	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-27.7	175.9	-163.8	70.9	-159.7	0	0	111.9	L390 A393 K394 K397 K415 S416 A421 Q422 I423	L390-E419 HydrophobicContact CD1-CB 3.61Å; L390-E419 HydrophobicContact CD1-CG 3.73Å; A393-E419 HydrophobicContact CB-CB 3.86Å; A393-E419 HydrophobicContact CB-CG 3.59Å; K394-E419 HydrophobicContact CG-CG 4.42Å; K397-E419 IonicContact NZ-OE1 3.84Å; K397-E419 PolarHBondContact NZ-OE1 3.01Å; K415-E419 PolarHBondContact O-N 2.99Å; S416-E419 PolarHBondContact O-N 3.41Å; E419-A421 PolarHBondContact O-N 2.94Å; E419-Q422 CarbonylContact O-C 3.56Å; E419-Q422 WeakPolarHBondContact O-CA 3.36Å; E419-Q422 VanDerWaalsContact O-CB 3.25Å; E419-Q422 WeakPolarHBondContact O-CB 3.41Å; E419-Q422 PolarHBondContact O-N 2.9Å; E419-I423 PolarHBondContact O-N 3.26Å
420	V	96.7	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-40.6	171	172.3	0	0	0	0	111.5	F412 S416 G417 L418 Q422 I423 I424 L433 L435 I448	F412-V420 HydrophobicContact CD1-CG2 4Å; F412-V420 HydrophobicContact CE1-CG2 4.42Å; S416-V420 PolarHBondContact O-N 2.73Å; G417-V420 WeakPolarHBondContact O-CB 3.36Å; G417-V420 PolarHBondContact O-N 2.82Å; L418-V420 PolarHBondContact O-N 2.68Å; V420-Q422 PolarHBondContact O-N 2.76Å; V420-I423 WeakPolarHBondContact O-CB 3.3Å; V420-I423 PolarHBondContact O-N 3.47Å; V420-I424 HydrophobicContact CG1-CD1 4.32Å; V420-I424 WeakPolarHBondContact O-CG1 3.45Å; V420-I424 PolarHBondContact O-N 3.25Å; V420-I424 VanDerWaalsContact O-N 3.15Å; V420-L433 HydrophobicContact CG1-CD2 3.96Å; V420-L435 HydrophobicContact CG1-CD1 3.62Å; V420-L435 HydrophobicContact CG2-CD1 4.16Å; V420-L435 HydrophobicContact CG2-CD2 4.31Å; V420-I448 HydrophobicContact CB-CD1 4.25Å; V420-I448 HydrophobicContact CB-CG1 4.48Å; V420-I448 HydrophobicContact CG1-CD1 3.79Å; V420-I448 HydrophobicContact CG1-CG1 4.09Å
421	A	95.7	Very high	95.3	Very high	6 Å²	6	38.1 Å²	38.1	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-33.3	175.5	0	0	0	0	0	111.3	L418 E419 I424 K425 T447 I448 A451	L418-A421 VanDerWaalsContact O-CB 3.29Å; L418-A421 WeakPolarHBondContact O-CB 3.19Å; L418-A421 PolarHBondContact O-N 2.84Å; L418-A421 VanDerWaalsContact O-N 3.1Å; E419-A421 PolarHBondContact O-N 2.94Å; A421-I424 PolarHBondContact O-N 2.92Å; A421-K425 PolarHBondContact O-N 2.76Å; A421-K425 VanDerWaalsContact O-N 3.14Å; A421-T447 HydrophobicContact CB-CG2 3.76Å; A421-I448 HydrophobicContact CB-CG1 4.15Å; A421-A451 HydrophobicContact CB-CB 3.81Å; A421-A451 WeakPolarHBondContact O-CB 3.38Å
422	Q	94.9	Very high	95.5	Very high	48 Å²	48	40.1 Å²	40.1	22%	0.224	20%	0.198	C	C	.	.	H	α-helix	trans	-73	-34.3	177.6	-163.5	51.8	74.4	0	0	112.6	K397 E419 V420 K425 E426	K397-Q422 HydrophobicContact CD-CB 4.36Å; K397-Q422 HydrophobicContact CD-CG 3.66Å; E419-Q422 CarbonylContact O-C 3.56Å; E419-Q422 WeakPolarHBondContact O-CA 3.36Å; E419-Q422 VanDerWaalsContact O-CB 3.25Å; E419-Q422 WeakPolarHBondContact O-CB 3.41Å; E419-Q422 PolarHBondContact O-N 2.9Å; V420-Q422 PolarHBondContact O-N 2.76Å; Q422-K425 PolarHBondContact O-N 2.69Å; Q422-E426 PolarHBondContact NE2-OE1 2.85Å; Q422-E426 PolarHBondContact O-N 3.26Å
423	I	95.9	Very high	95.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-50.2	168.6	-58.9	170.9	0	0	0	109.7	A393 L396 K397 E419 V420 K425 E426 N427 L430	A393-I423 HydrophobicContact CB-CD1 3.88Å; A393-I423 HydrophobicContact CB-CG1 4.46Å; A393-I423 WeakPolarHBondContact O-CG1 3.5Å; L396-I423 HydrophobicContact CB-CD1 4.19Å; L396-I423 HydrophobicContact CD1-CD1 4.47Å; K397-I423 HydrophobicContact CB-CG1 4.18Å; E419-I423 PolarHBondContact O-N 3.26Å; V420-I423 WeakPolarHBondContact O-CB 3.3Å; V420-I423 PolarHBondContact O-N 3.47Å; I423-K425 PolarHBondContact O-N 2.79Å; I423-E426 PolarHBondContact O-N 3.29Å; I423-N427 HydrophobicContact CG2-CB 3.97Å; I423-N427 WeakPolarHBondContact O-CA 3.26Å; I423-N427 WeakPolarHBondContact O-CB 3.3Å; I423-N427 PolarHBondContact O-N 3.39Å; I423-L430 HydrophobicContact CG2-CD2 3.7Å
424	I	94.6	Very high	95.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-33.6	-176.6	-65.1	172.3	0	0	0	111.9	V420 A421 I448 A451 I452 A455 T461 L463	V420-I424 HydrophobicContact CG1-CD1 4.32Å; V420-I424 WeakPolarHBondContact O-CG1 3.45Å; V420-I424 PolarHBondContact O-N 3.25Å; V420-I424 VanDerWaalsContact O-N 3.15Å; A421-I424 PolarHBondContact O-N 2.92Å; I424-I448 HydrophobicContact CD1-CG2 3.68Å; I424-A451 HydrophobicContact CB-CB 4.42Å; I424-A451 HydrophobicContact CG2-CB 4.42Å; I424-I452 HydrophobicContact CD1-CG1 4.38Å; I424-I452 HydrophobicContact CG2-CG1 3.85Å; I424-A455 HydrophobicContact CG2-CB 4.47Å; I424-A455 WeakPolarHBondContact O-CB 3.16Å; I424-T461 PolarHBondContact O-OG1 2.86Å; I424-L463 HydrophobicContact CD1-CD2 4.12Å; I424-L463 HydrophobicContact CG1-CD2 4.01Å; I424-L463 HydrophobicContact CG2-CD2 4.32Å
425	K	92.8	Very high	96	Very high	93 Å²	93	36.1 Å²	36.1	40%	0.404	17%	0.174	S	C	.	.	H	α-helix	trans	-77.3	-41.4	-179	-174.7	-179.1	173.6	-169.3	0	113.6	A421 Q422 I423 A451	A421-K425 PolarHBondContact O-N 2.76Å; A421-K425 VanDerWaalsContact O-N 3.14Å; Q422-K425 PolarHBondContact O-N 2.69Å; I423-K425 PolarHBondContact O-N 2.79Å; K425-A451 HydrophobicContact CB-CB 4.49Å
426	E	93.3	Very high	96	Very high	102 Å²	102	30.3 Å²	30.3	48%	0.477	15%	0.149	S	C	.	.	H	α-helix	trans	-106.5	-27.7	-170.7	-80.2	172.9	-155.9	0	0	114.3	K397 Q422 I423	K397-E426 HydrophobicContact CD-CB 4.42Å; K397-E426 WeakPolarHBondContact CD-OE2 3.5Å; K397-E426 HydrophobicContact CG-CB 4.03Å; Q422-E426 PolarHBondContact NE2-OE1 2.85Å; Q422-E426 PolarHBondContact O-N 3.26Å; I423-E426 PolarHBondContact O-N 3.29Å
427	N	95.3	Very high	96	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.048	16%	0.159	C	C	.	.			trans	-74.8	136	-180	-174	-82	0	0	0	111.2	L396 K397 N399 I423 T429 L430	L396-N427 PolarHBondContact O-ND2 2.79Å; K397-N427 PolarHBondContact O-ND2 2.9Å; N399-N427 PolarHBondContact O-ND2 3.27Å; I423-N427 HydrophobicContact CG2-CB 3.97Å; I423-N427 WeakPolarHBondContact O-CA 3.26Å; I423-N427 WeakPolarHBondContact O-CB 3.3Å; I423-N427 PolarHBondContact O-N 3.39Å; N427-T429 PolarHBondContact OD1-N 3.25Å; N427-T429 PolarHBondContact OD1-OG1 3.25Å; N427-L430 WeakPolarHBondContact OD1-CB 3.15Å; N427-L430 PolarHBondContact OD1-N 3.17Å
428	T	94.1	Very high	96.2	Very high	67 Å²	67	33 Å²	33	41%	0.411	16%	0.162	S	C	.	.	S	Bend	trans	-114.6	8	-174.3	60.6	0	0	0	0	114.1	E460 K462	T428-E460 HydrophobicContact CG2-CB 4.23Å; T428-K462 WeakPolarHBondContact O-CG 3.48Å
429	T	96.5	Very high	96.2	Very high	32 Å²	32	37.8 Å²	37.8	20%	0.196	18%	0.176	C	C	.	.	S	Bend	trans	-125.1	-27.8	-176.1	62.4	0	0	0	0	114.6	I400 I402 N427 E431	I400-T429 WeakPolarHBondContact O-CG2 3.26Å; I402-T429 CarbonylContact O-C 3.5Å; I402-T429 PolarHBondContact O-OG1 2.91Å; N427-T429 PolarHBondContact OD1-N 3.25Å; N427-T429 PolarHBondContact OD1-OG1 3.25Å; T429-E431 PolarHBondContact O-N 3.39Å
430	L	97.7	Very high	96.2	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.047	17%	0.168	C	C	.	.			trans	-66.8	117.6	-177.8	-168.4	69.4	0	0	0	110.1	I402 C405 I423 N427 L433 K462 L463	I402-L430 HydrophobicContact CG2-CD1 4.18Å; I402-L430 PolarHBondContact O-N 3.36Å; C405-L430 HydrophobicContact CB-CD1 3.91Å; I423-L430 HydrophobicContact CG2-CD2 3.7Å; N427-L430 WeakPolarHBondContact OD1-CB 3.15Å; N427-L430 PolarHBondContact OD1-N 3.17Å; L430-L433 HydrophobicContact CD2-CB 4.07Å; L430-L433 HydrophobicContact CD2-CD1 4.25Å; L430-L433 HydrophobicContact CD2-CD2 4.16Å; L430-L433 HydrophobicContact CD2-CG 4.39Å; L430-K462 CarbonylContact O-C 3.15Å; L430-K462 VanDerWaalsContact O-C 3.3Å; L430-L463 WeakPolarHBondContact O-CA 3.13Å; L430-L463 PolarHBondContact O-N 2.91Å; L430-L463 VanDerWaalsContact O-N 3.17Å
431	E	97.8	Very high	96.2	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	18%	0.182	C	C	.	.			trans	-101.8	-31.7	177.4	-62.2	-157.9	157.5	0	0	111.9	S403 T429 K462 R464 V465	S403-E431 WeakPolarHBondContact O-CA 3.18Å; S403-E431 PolarHBondContact O-N 2.83Å; S403-E431 WeakPolarHBondContact OG-CB 3.42Å; S403-E431 WeakPolarHBondContact OG-CG 3.2Å; T429-E431 PolarHBondContact O-N 3.39Å; E431-K462 HydrophobicContact CG-CB 4.04Å; E431-R464 HydrophobicContact CB-CG 4.42Å; E431-R464 WeakPolarHBondContact O-CA 3.14Å; E431-R464 PolarHBondContact O-N 2.97Å; E431-R464 IonicContact OE1-CZ 3.72Å; E431-R464 IonicContact OE1-NE 3.51Å; E431-R464 IonicContact OE1-NH2 3.09Å; E431-R464 PolarHBondContact OE1-NH2 3.03Å; E431-R464 IonicContact OE2-CZ 3.12Å; E431-R464 IonicContact OE2-NE 3.84Å; E431-R464 PolarHBondContact OE2-NE 3.01Å; E431-R464 IonicContact OE2-NH2 2.69Å; E431-V465 PolarHBondContact O-N 2.92Å
432	E	98.5	Very high	96.2	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.243	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.1	-177.3	-51.4	-173.8	-170.8	0	0	111.6	S403 V404 C405 Y434 V465	S403-E432 PolarHBondContact O-N 3.37Å; V404-E432 WeakPolarHBondContact CA-O 3.41Å; V404-E432 HydrophobicContact CB-CB 4.41Å; V404-E432 HydrophobicContact CG1-CB 4.13Å; V404-E432 HydrophobicContact CG2-CB 4.12Å; V404-E432 HydrophobicContact CG2-CG 4.11Å; C405-E432 PolarHBondContact N-O 3.46Å; E432-Y434 HydrophobicContact CB-CD2 4.38Å; E432-Y434 HydrophobicContact CB-CE2 3.63Å; E432-Y434 WeakPolarHBondContact OE2-CE2 3.42Å; E432-Y434 PolarHBondContact OE2-OH 3.11Å; E432-V465 WeakPolarHBondContact CA-O 3.31Å; E432-V465 HydrophobicContact CB-CB 4.04Å; E432-V465 HydrophobicContact CG-CB 3.88Å; E432-V465 HydrophobicContact CG-CG2 3.86Å
433	L	98.3	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.2	179.8	-177.8	56.1	0	0	0	110.7	C405 L407 V420 L430 L435 L463 V465 L466 D467	C405-L433 HydrophobicContact CB-CD1 4.34Å; L407-L433 HydrophobicContact CD1-CD1 3.94Å; V420-L433 HydrophobicContact CG1-CD2 3.96Å; L430-L433 HydrophobicContact CD2-CB 4.07Å; L430-L433 HydrophobicContact CD2-CD1 4.25Å; L430-L433 HydrophobicContact CD2-CD2 4.16Å; L430-L433 HydrophobicContact CD2-CG 4.39Å; L433-L435 HydrophobicContact CD1-CD1 4.45Å; L433-L435 HydrophobicContact CD1-CG 4.28Å; L433-L435 HydrophobicContact CD2-CD1 3.82Å; L433-L435 HydrophobicContact CG-CD1 3.84Å; L433-L435 HydrophobicContact CG-CG 4.06Å; L433-L463 HydrophobicContact CB-CD1 3.96Å; L433-V465 PolarHBondContact N-O 3.15Å; L433-L466 HydrophobicContact CB-CD1 4.43Å; L433-L466 HydrophobicContact CD2-CD1 4.44Å; L433-L466 HydrophobicContact CG-CD1 4.49Å; L433-D467 PolarHBondContact O-N 3.05Å
434	Y	98.5	Very high	96.4	Very high	34 Å²	34	44.3 Å²	44.3	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.4	-177.5	-61.5	-93.4	0	0	0	111.1	V404 C405 Y406 L407 S408 E432 V465 D467 M497	V404-Y434 HydrophobicContact CG1-CE2 4.09Å; C405-Y434 PolarHBondContact O-N 3.34Å; Y406-Y434 HydrophobicContact CD1-CD1 4.2Å; Y406-Y434 AromaticContact CD1-CD2 3.37Å; Y406-Y434 HydrophobicContact CD1-CD2 3.37Å; Y406-Y434 HydrophobicContact CD1-CE2 4.02Å; Y406-Y434 AromaticContact CD1-CG 3.48Å; Y406-Y434 HydrophobicContact CD1-CG 3.48Å; Y406-Y434 VanDerWaalsContact CD1-CG 3.48Å; Y406-Y434 HydrophobicContact CE1-CD1 4Å; Y406-Y434 AromaticContact CE1-CD2 3.24Å; Y406-Y434 HydrophobicContact CE1-CD2 3.24Å; Y406-Y434 HydrophobicContact CE1-CE1 4.1Å; Y406-Y434 AromaticContact CE1-CE2 3.37Å; Y406-Y434 HydrophobicContact CE1-CE2 3.37Å; Y406-Y434 AromaticContact CE1-CG 3.58Å; Y406-Y434 HydrophobicContact CE1-CG 3.58Å; Y406-Y434 AromaticContact CE1-CZ 3.82Å; Y406-Y434 HydrophobicContact CE2-CD2 4.44Å; Y406-Y434 HydrophobicContact CE2-CE2 4.46Å; Y406-Y434 HydrophobicContact CG-CD2 4.06Å; Y406-Y434 HydrophobicContact CG-CG 4.41Å; Y406-Y434 AromaticContact CZ-CD2 3.83Å; Y406-Y434 AromaticContact CZ-CE2 3.63Å; L407-Y434 CarbonylContact C-O 3.6Å; L407-Y434 WeakPolarHBondContact CA-O 2.88Å; L407-Y434 PolarHBondContact N-O 2.72Å; S408-Y434 PolarHBondContact N-O 3.44Å; E432-Y434 HydrophobicContact CB-CD2 4.38Å; E432-Y434 HydrophobicContact CB-CE2 3.63Å; E432-Y434 WeakPolarHBondContact OE2-CE2 3.42Å; E432-Y434 PolarHBondContact OE2-OH 3.11Å; Y434-V465 HydrophobicContact CE1-CG1 4.22Å; Y434-D467 HydrophobicContact CD1-CB 3.67Å; Y434-D467 HydrophobicContact CE1-CB 4.43Å; Y434-D467 HydrophobicContact CG-CB 4.35Å; Y434-M497 HydrophobicContact CD1-CE 4.2Å; Y434-M497 HydrophobicContact CE1-CE 3.74Å
435	L	97.9	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.			trans	-123.9	20	-173.6	-70.6	159.9	0	0	0	112.4	L407 F412 V420 L433 N438 I440 L466 D467 V468 N471	L407-L435 HydrophobicContact CB-CD2 3.91Å; L407-L435 HydrophobicContact CD1-CD2 4.09Å; F412-L435 HydrophobicContact CD1-CD2 4.43Å; F412-L435 HydrophobicContact CD2-CD2 4.37Å; F412-L435 HydrophobicContact CG-CD2 4.23Å; V420-L435 HydrophobicContact CG1-CD1 3.62Å; V420-L435 HydrophobicContact CG2-CD1 4.16Å; V420-L435 HydrophobicContact CG2-CD2 4.31Å; L433-L435 HydrophobicContact CD1-CD1 4.45Å; L433-L435 HydrophobicContact CD1-CG 4.28Å; L433-L435 HydrophobicContact CD2-CD1 3.82Å; L433-L435 HydrophobicContact CG-CD1 3.84Å; L433-L435 HydrophobicContact CG-CG 4.06Å; L435-N438 VanDerWaalsContact C-ND2 3.33Å; L435-N438 WeakPolarHBondContact O-CB 3.07Å; L435-N438 PolarHBondContact O-ND2 3.12Å; L435-I440 HydrophobicContact CB-CD1 3.97Å; L435-I440 HydrophobicContact CD1-CD1 4.03Å; L435-I440 HydrophobicContact CG-CD1 4.44Å; L435-L466 HydrophobicContact CD1-CD1 4.34Å; L435-D467 CarbonylContact C-O 3.43Å; L435-D467 WeakPolarHBondContact CA-O 3.42Å; L435-D467 WeakPolarHBondContact CB-O 3.42Å; L435-D467 PolarHBondContact N-O 2.66Å; L435-V468 HydrophobicContact CB-CG1 4.5Å; L435-N471 PolarHBondContact O-ND2 2.87Å
436	Q	96	Very high	96.8	Very high	41 Å²	41	42.2 Å²	42.2	19%	0.192	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	146.3	-178.6	68.5	-80.8	27.3	0	0	112.9	S408 W409 N438 S469	S408-Q436 CarbonylContact C-O 3.45Å; S408-Q436 WeakPolarHBondContact CA-O 3.45Å; S408-Q436 VanDerWaalsContact CB-O 3.23Å; S408-Q436 WeakPolarHBondContact CB-O 3.28Å; S408-Q436 PolarHBondContact OG-NE2 2.63Å; S408-Q436 PolarHBondContact OG-OE1 2.84Å; W409-Q436 PolarHBondContact N-O 3.03Å; Q436-N438 VanDerWaalsContact C-N 3.34Å; Q436-N438 PolarHBondContact O-N 2.89Å; Q436-S469 CarbonylContact C-O 3.54Å; Q436-S469 WeakPolarHBondContact CA-O 3.33Å; Q436-S469 VanDerWaalsContact CB-O 3.31Å; Q436-S469 WeakPolarHBondContact CB-O 3.49Å
437	H	95.8	Very high	97	Very high	49 Å²	49	39.2 Å²	39.2	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	42.2	-178	-58.6	-86.2	0	0	0	114.5	R80 W409 S469 S470	R80-H437 PolarHBondContact NH2-ND1 3.38Å; W409-H437 VanDerWaalsContact CA-O 3.3Å; W409-H437 WeakPolarHBondContact CA-O 3.19Å; W409-H437 AromaticContact CD1-CD2 3.9Å; W409-H437 AromaticContact CD1-CG 3.97Å; W409-H437 HydrophobicContact CD2-CB 3.39Å; W409-H437 AromaticContact CD2-CG 3.92Å; W409-H437 AromaticContact CE2-CD2 3.53Å; W409-H437 AromaticContact CE2-CG 3.21Å; W409-H437 AromaticContact CE2-ND1 3.63Å; W409-H437 HydrophobicContact CE3-CB 3.96Å; W409-H437 HydrophobicContact CG-CB 3.66Å; W409-H437 HydrophobicContact CH2-CB 4.27Å; W409-H437 AromaticContact CH2-ND1 3.72Å; W409-H437 HydrophobicContact CZ2-CB 3.75Å; W409-H437 AromaticContact CZ2-CD2 3.79Å; W409-H437 AromaticContact CZ2-CE1 3.56Å; W409-H437 AromaticContact CZ2-CG 3.35Å; W409-H437 AromaticContact CZ2-ND1 3.19Å; W409-H437 WeakPolarHBondContact CZ2-ND1 3.19Å; W409-H437 AromaticContact CZ2-NE2 3.88Å; W409-H437 HydrophobicContact CZ3-CB 4.36Å; W409-H437 PolarHBondContact N-O 3.48Å; W409-H437 AromaticContact NE1-CD2 3.11Å; W409-H437 PolarHBondContact NE1-CD2 3.38Å; W409-H437 AromaticContact NE1-CG 3.27Å; W409-H437 VanDerWaalsContact NE1-CG 3.27Å; W409-H437 AromaticContact NE1-NE2 3.81Å; H437-S469 PolarHBondContact N-O 3.31Å; H437-S470 WeakPolarHBondContact CA-O 3.09Å; H437-S470 WeakPolarHBondContact CE1-CB 3.4Å; H437-S470 PolarHBondContact CE1-OG 2.87Å; H437-S470 VanDerWaalsContact CE1-OG 3.23Å; H437-S470 VanDerWaalsContact ND1-CB 3.28Å; H437-S470 WeakPolarHBondContact ND1-CB 3.34Å
438	N	96.8	Very high	97.1	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.048	19%	0.187	C	C	.	.	S	Bend	trans	-101	-158.4	166.5	-80	-66.6	0	0	0	110.2	L407 N410 G411 F412 L435 Q436 I440 N471	L407-N438 PolarHBondContact O-ND2 2.75Å; N410-N438 WeakPolarHBondContact CA-OD1 3.4Å; N410-N438 PolarHBondContact N-OD1 3.33Å; G411-N438 PolarHBondContact N-OD1 3.05Å; F412-N438 HydrophobicContact CB-CB 3.97Å; F412-N438 WeakPolarHBondContact CD2-OD1 3.36Å; F412-N438 PolarHBondContact N-OD1 3.11Å; L435-N438 VanDerWaalsContact C-ND2 3.33Å; L435-N438 WeakPolarHBondContact O-CB 3.07Å; L435-N438 PolarHBondContact O-ND2 3.12Å; Q436-N438 VanDerWaalsContact C-N 3.34Å; Q436-N438 PolarHBondContact O-N 2.89Å; N438-I440 HydrophobicContact CB-CG1 4.39Å; N438-N471 WeakPolarHBondContact CA-OD1 3.2Å; N438-N471 VanDerWaalsContact CB-OD1 3.23Å; N438-N471 WeakPolarHBondContact CB-OD1 3.48Å; N438-N471 PolarHBondContact N-OD1 2.95Å; N438-N471 PolarHBondContact O-OD1 3.28Å
439	R	95.8	Very high	97.2	Very high	153 Å²	153	35.6 Å²	35.6	58%	0.577	17%	0.168	S	C	*	.			trans	-122.8	37	-180	-67.2	179.9	-170.5	157.2	1.7	110.6	F412 S441 N471	F412-R439 CarbonylContact O-C 3.41Å; F412-R439 VanDerWaalsContact O-CA 3.28Å; F412-R439 WeakPolarHBondContact O-CA 3.33Å; F412-R439 PolarHBondContact O-N 3.48Å; R439-S441 PolarHBondContact O-N 2.84Å; R439-N471 PolarHBondContact N-OD1 3.31Å
440	I	96.8	Very high	97.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.			trans	-69.8	118.2	174.9	-60.8	175.9	0	0	0	107.9	F412 L435 N438 E444 I445 I448 V468 N471 P472 I473	F412-I440 PolarHBondContact O-N 3.03Å; L435-I440 HydrophobicContact CB-CD1 3.97Å; L435-I440 HydrophobicContact CD1-CD1 4.03Å; L435-I440 HydrophobicContact CG-CD1 4.44Å; N438-I440 HydrophobicContact CB-CG1 4.39Å; I440-E444 HydrophobicContact CG2-CB 3.79Å; I440-I445 HydrophobicContact CG2-CB 4.1Å; I440-I448 HydrophobicContact CD1-CD1 4.44Å; I440-I448 HydrophobicContact CG2-CD1 4.35Å; I440-V468 HydrophobicContact CD1-CG1 4.31Å; I440-N471 HydrophobicContact CB-CB 4.08Å; I440-N471 WeakPolarHBondContact CB-OD1 3.39Å; I440-N471 WeakPolarHBondContact CG1-OD1 3.4Å; I440-N471 PolarHBondContact N-OD1 2.77Å; I440-P472 VanDerWaalsContact O-CD 3.3Å; I440-P472 WeakPolarHBondContact O-CD 2.98Å; I440-I473 HydrophobicContact CG2-CD1 4.33Å; I440-I473 VanDerWaalsContact O-CG1 3.28Å; I440-I473 WeakPolarHBondContact O-CG1 3.35Å
441	S	96.4	Very high	97	Very high	41 Å²	41	37.1 Å²	37.1	29%	0.287	17%	0.174	S	C	.	.			trans	-99.7	-178.1	178.9	83.9	0	0	0	0	111.7	R439 K443 E444 I445	R439-S441 PolarHBondContact O-N 2.84Å; S441-K443 PolarHBondContact O-N 3.02Å; S441-K443 PolarHBondContact OG-N 2.62Å; S441-E444 WeakPolarHBondContact CA-OE2 3.38Å; S441-E444 WeakPolarHBondContact CB-OE2 3.46Å; S441-E444 PolarHBondContact N-OE2 2.91Å; S441-E444 PolarHBondContact O-N 3.4Å; S441-E444 VanDerWaalsContact O-N 3.17Å; S441-E444 PolarHBondContact OG-OE2 2.88Å; S441-I445 WeakPolarHBondContact O-CG2 3.45Å; S441-I445 PolarHBondContact O-N 2.68Å
442	D	97.3	Very high	96.9	Very high	50 Å²	50	35.1 Å²	35.1	27%	0.267	17%	0.165	S	C	.	.	H	α-helix	trans	-50.2	-39.2	177.4	-68.3	-2.3	0	0	0	113.5	I445 E446 S474 G477	D442-I445 WeakPolarHBondContact O-CG2 3.39Å; D442-E446 VanDerWaalsContact O-CB 3.28Å; D442-E446 WeakPolarHBondContact O-CB 3.24Å; D442-E446 PolarHBondContact O-N 3.31Å; D442-E446 VanDerWaalsContact O-N 3.09Å; D442-S474 WeakPolarHBondContact OD1-CB 3.5Å; D442-S474 PolarHBondContact OD1-N 3.45Å; D442-S474 PolarHBondContact OD1-OG 3.09Å; D442-S474 VanDerWaalsContact OD1-OG 3.12Å; D442-S474 WeakPolarHBondContact OD2-CB 3.49Å; D442-S474 PolarHBondContact OD2-OG 3.08Å; D442-G477 WeakPolarHBondContact OD1-CA 3.49Å
443	K	96.8	Very high	96.7	Very high	133 Å²	133	36 Å²	36	58%	0.578	17%	0.166	S	C	*	.	H	α-helix	trans	-68.8	-46.3	-178.7	-177.8	-173.9	174.6	-171	0	111.5	S441 T447	S441-K443 PolarHBondContact O-N 3.02Å; S441-K443 PolarHBondContact OG-N 2.62Å; K443-T447 PolarHBondContact O-N 2.78Å; K443-T447 PolarHBondContact O-OG1 3.49Å
444	E	97.1	Very high	96.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-44.1	-178.2	-67.2	74.4	-138.2	0	0	110.7	L418 I440 S441 E446 T447 I448	L418-E444 HydrophobicContact CD2-CG 4.27Å; L418-E444 HydrophobicContact CG-CG 4.27Å; I440-E444 HydrophobicContact CG2-CB 3.79Å; S441-E444 WeakPolarHBondContact CA-OE2 3.38Å; S441-E444 WeakPolarHBondContact CB-OE2 3.46Å; S441-E444 PolarHBondContact N-OE2 2.91Å; S441-E444 PolarHBondContact O-N 3.4Å; S441-E444 VanDerWaalsContact O-N 3.17Å; S441-E444 PolarHBondContact OG-OE2 2.88Å; E444-E446 PolarHBondContact O-N 3.14Å; E444-T447 WeakPolarHBondContact O-CB 3.4Å; E444-T447 PolarHBondContact O-N 3.42Å; E444-T447 VanDerWaalsContact O-N 3.16Å; E444-I448 WeakPolarHBondContact O-CG1 3.47Å; E444-I448 PolarHBondContact O-N 2.63Å
445	I	97.9	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-37.4	179.2	-165.2	67.5	0	0	0	112.2	I440 S441 D442 T447 I448 G449 V468 I473 F481	I440-I445 HydrophobicContact CG2-CB 4.1Å; S441-I445 WeakPolarHBondContact O-CG2 3.45Å; S441-I445 PolarHBondContact O-N 2.68Å; D442-I445 WeakPolarHBondContact O-CG2 3.39Å; I445-T447 VanDerWaalsContact C-N 3.29Å; I445-T447 PolarHBondContact O-N 2.9Å; I445-I448 HydrophobicContact CD1-CB 4.44Å; I445-I448 HydrophobicContact CD1-CD1 4.33Å; I445-I448 HydrophobicContact CD1-CG2 4.41Å; I445-I448 WeakPolarHBondContact O-CB 3.47Å; I445-I448 PolarHBondContact O-N 3.33Å; I445-G449 PolarHBondContact O-N 2.89Å; I445-V468 HydrophobicContact CD1-CB 4.35Å; I445-V468 HydrophobicContact CD1-CG1 4.08Å; I445-V468 HydrophobicContact CD1-CG2 4Å; I445-I473 HydrophobicContact CB-CD1 3.88Å; I445-I473 HydrophobicContact CB-CG1 4.4Å; I445-I473 HydrophobicContact CD1-CD1 4.05Å; I445-I473 HydrophobicContact CG1-CD1 3.85Å; I445-I473 HydrophobicContact CG2-CD1 4.21Å; I445-I473 HydrophobicContact CG2-CG1 4.31Å; I445-I473 HydrophobicContact CG2-CG2 3.74Å; I445-F481 HydrophobicContact CD1-CD2 4.02Å; I445-F481 HydrophobicContact CD1-CE2 4.08Å; I445-F481 HydrophobicContact CD1-CG 4.4Å; I445-F481 HydrophobicContact CD1-CZ 4.49Å; I445-F481 HydrophobicContact CG1-CB 3.95Å; I445-F481 HydrophobicContact CG1-CD1 4.47Å; I445-F481 HydrophobicContact CG1-CD2 3.77Å; I445-F481 HydrophobicContact CG1-CE2 4.34Å; I445-F481 HydrophobicContact CG1-CG 3.82Å; I445-F481 VanDerWaalsContact O-CD2 3.32Å; I445-F481 WeakPolarHBondContact O-CD2 3.4Å
446	E	97.7	Very high	95.4	Very high	54 Å²	54	39.6 Å²	39.6	25%	0.252	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-41.7	173.9	-179.7	173.9	169.9	0	0	110.8	D442 E444 G449 Q450 N480	D442-E446 VanDerWaalsContact O-CB 3.28Å; D442-E446 WeakPolarHBondContact O-CB 3.24Å; D442-E446 PolarHBondContact O-N 3.31Å; D442-E446 VanDerWaalsContact O-N 3.09Å; E444-E446 PolarHBondContact O-N 3.14Å; E446-G449 PolarHBondContact O-N 3.18Å; E446-Q450 WeakPolarHBondContact O-CG 3.18Å; E446-Q450 PolarHBondContact O-N 3.12Å; E446-N480 HydrophobicContact CB-CB 4.29Å; E446-N480 HydrophobicContact CG-CB 4.04Å; E446-N480 PolarHBondContact OE2-ND2 3.36Å
447	T	97.5	Very high	94.6	Very high	39 Å²	39	42.3 Å²	42.3	24%	0.239	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-40	177.4	-51.4	0	0	0	0	111.5	L418 A421 K443 E444 I445 G449 Q450 A451	L418-T447 HydrophobicContact CD2-CG2 3.92Å; L418-T447 WeakPolarHBondContact CD2-OG1 3.38Å; A421-T447 HydrophobicContact CB-CG2 3.76Å; K443-T447 PolarHBondContact O-N 2.78Å; K443-T447 PolarHBondContact O-OG1 3.49Å; E444-T447 WeakPolarHBondContact O-CB 3.4Å; E444-T447 PolarHBondContact O-N 3.42Å; E444-T447 VanDerWaalsContact O-N 3.16Å; I445-T447 VanDerWaalsContact C-N 3.29Å; I445-T447 PolarHBondContact O-N 2.9Å; T447-G449 VanDerWaalsContact C-N 3.31Å; T447-G449 PolarHBondContact O-N 3.45Å; T447-Q450 WeakPolarHBondContact O-CB 3.38Å; T447-Q450 PolarHBondContact O-N 2.87Å; T447-A451 PolarHBondContact O-N 3.31Å
448	I	97.2	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-44.1	171.6	-72	167.9	0	0	0	110.3	V420 A421 I424 I440 E444 I445 Q450 A451 I452 L466 F481	V420-I448 HydrophobicContact CB-CD1 4.25Å; V420-I448 HydrophobicContact CB-CG1 4.48Å; V420-I448 HydrophobicContact CG1-CD1 3.79Å; V420-I448 HydrophobicContact CG1-CG1 4.09Å; A421-I448 HydrophobicContact CB-CG1 4.15Å; I424-I448 HydrophobicContact CD1-CG2 3.68Å; I440-I448 HydrophobicContact CD1-CD1 4.44Å; I440-I448 HydrophobicContact CG2-CD1 4.35Å; E444-I448 WeakPolarHBondContact O-CG1 3.47Å; E444-I448 PolarHBondContact O-N 2.63Å; I445-I448 HydrophobicContact CD1-CB 4.44Å; I445-I448 HydrophobicContact CD1-CD1 4.33Å; I445-I448 HydrophobicContact CD1-CG2 4.41Å; I445-I448 WeakPolarHBondContact O-CB 3.47Å; I445-I448 PolarHBondContact O-N 3.33Å; I448-Q450 PolarHBondContact O-N 3.04Å; I448-A451 PolarHBondContact O-N 3.39Å; I448-I452 HydrophobicContact CG2-CD1 4.04Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 3.31Å; I448-L466 HydrophobicContact CG2-CD2 3.95Å; I448-F481 HydrophobicContact CG2-CE2 4.14Å
449	G	96.6	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-40.9	175.3	0	0	0	0	0	113.2	I445 E446 T447 I452 Y453 Q484	I445-G449 PolarHBondContact O-N 2.89Å; E446-G449 PolarHBondContact O-N 3.18Å; T447-G449 VanDerWaalsContact C-N 3.31Å; T447-G449 PolarHBondContact O-N 3.45Å; G449-I452 PolarHBondContact O-N 3.2Å; G449-Y453 PolarHBondContact O-N 2.91Å; G449-Y453 VanDerWaalsContact O-N 3.1Å; G449-Q484 VanDerWaalsContact C-CB 3.48Å; G449-Q484 WeakPolarHBondContact O-CB 3.4Å
450	Q	95.6	Very high	92.4	Very high	67 Å²	67	42.4 Å²	42.4	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-41.5	174.3	-67.1	172.9	12	0	0	111.7	E446 T447 I448 Y453 M454 Q484	E446-Q450 WeakPolarHBondContact O-CG 3.18Å; E446-Q450 PolarHBondContact O-N 3.12Å; T447-Q450 WeakPolarHBondContact O-CB 3.38Å; T447-Q450 PolarHBondContact O-N 2.87Å; I448-Q450 PolarHBondContact O-N 3.04Å; Q450-Y453 PolarHBondContact O-N 2.76Å; Q450-M454 WeakPolarHBondContact O-CG 3.07Å; Q450-M454 PolarHBondContact O-N 2.71Å; Q450-Q484 HydrophobicContact CG-CG 3.81Å
451	A	95.4	Very high	92.1	Very high	7 Å²	7	43 Å²	43	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.2	0	0	0	0	0	112.5	A421 I424 K425 T447 I448 Y453 M454 A455	A421-A451 HydrophobicContact CB-CB 3.81Å; A421-A451 WeakPolarHBondContact O-CB 3.38Å; I424-A451 HydrophobicContact CB-CB 4.42Å; I424-A451 HydrophobicContact CG2-CB 4.42Å; K425-A451 HydrophobicContact CB-CB 4.49Å; T447-A451 PolarHBondContact O-N 3.31Å; I448-A451 PolarHBondContact O-N 3.39Å; A451-Y453 VanDerWaalsContact C-N 3.29Å; A451-Y453 PolarHBondContact O-N 3.42Å; A451-M454 PolarHBondContact O-N 3.36Å; A451-A455 WeakPolarHBondContact O-CB 3.36Å; A451-A455 PolarHBondContact O-N 3.41Å
452	I	95.2	Very high	92	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-44.9	174	-68.4	168.1	0	0	0	110.4	I424 I448 G449 T456 L466 F481 L491 L493	I424-I452 HydrophobicContact CD1-CG1 4.38Å; I424-I452 HydrophobicContact CG2-CG1 3.85Å; I448-I452 HydrophobicContact CG2-CD1 4.04Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 3.31Å; G449-I452 PolarHBondContact O-N 3.2Å; I452-T456 WeakPolarHBondContact O-CB 3.1Å; I452-T456 PolarHBondContact O-N 3.46Å; I452-T456 VanDerWaalsContact O-N 3.07Å; I452-T456 PolarHBondContact O-OG1 2.88Å; I452-L466 HydrophobicContact CD1-CD2 3.94Å; I452-F481 HydrophobicContact CD1-CE2 3.9Å; I452-F481 HydrophobicContact CD1-CZ 4.24Å; I452-L491 HydrophobicContact CG2-CD1 3.89Å; I452-L493 HydrophobicContact CD1-CD2 4.28Å
453	Y	93.8	Very high	91.9	Very high	72 Å²	72	43.5 Å²	43.5	28%	0.282	22%	0.224	S	C	.	.	H	α-helix	trans	-58.7	-51.7	176.4	168.9	-127.2	0	0	0	111.7	G449 Q450 A451 A455 T456 D457 K487	G449-Y453 PolarHBondContact O-N 2.91Å; G449-Y453 VanDerWaalsContact O-N 3.1Å; Q450-Y453 PolarHBondContact O-N 2.76Å; A451-Y453 VanDerWaalsContact C-N 3.29Å; A451-Y453 PolarHBondContact O-N 3.42Å; Y453-A455 PolarHBondContact O-N 3.24Å; Y453-T456 PolarHBondContact O-N 3.11Å; Y453-D457 PolarHBondContact O-N 3.17Å; Y453-K487 HydrophobicContact CD1-CD 4.31Å; Y453-K487 HydrophobicContact CD2-CB 3.81Å; Y453-K487 HydrophobicContact CE1-CB 4.47Å; Y453-K487 HydrophobicContact CE1-CD 4.21Å; Y453-K487 HydrophobicContact CE2-CB 3.73Å; Y453-K487 HydrophobicContact CG-CB 4.26Å
454	M	92.2	Very high	91.9	Very high	97 Å²	97	42.1 Å²	42.1	48%	0.478	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-41.1	179.8	-67.6	179.2	-176.5	0	0	113.5	Q450 A451 T456 D457 S458	Q450-M454 WeakPolarHBondContact O-CG 3.07Å; Q450-M454 PolarHBondContact O-N 2.71Å; A451-M454 PolarHBondContact O-N 3.36Å; M454-T456 VanDerWaalsContact C-N 3.27Å; M454-T456 PolarHBondContact O-N 3.36Å; M454-D457 PolarHBondContact O-N 2.81Å; M454-S458 PolarHBondContact O-N 3.13Å
455	A	91.3	Very high	91.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-72.1	-25	-176.8	0	0	0	0	0	112.4	I424 A451 Y453 S458 G459 T461	I424-A455 HydrophobicContact CG2-CB 4.47Å; I424-A455 WeakPolarHBondContact O-CB 3.16Å; A451-A455 WeakPolarHBondContact O-CB 3.36Å; A451-A455 PolarHBondContact O-N 3.41Å; Y453-A455 PolarHBondContact O-N 3.24Å; A455-S458 PolarHBondContact O-OG 2.87Å; A455-G459 PolarHBondContact O-N 3.04Å; A455-T461 HydrophobicContact CB-CG2 3.83Å
456	T	84.9	Confident	91.9	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-75.5	-34.6	176.5	-53.1	0	0	0	0	111.8	I452 Y453 M454 S458 G459 S490	I452-T456 WeakPolarHBondContact O-CB 3.1Å; I452-T456 PolarHBondContact O-N 3.46Å; I452-T456 VanDerWaalsContact O-N 3.07Å; I452-T456 PolarHBondContact O-OG1 2.88Å; Y453-T456 PolarHBondContact O-N 3.11Å; M454-T456 VanDerWaalsContact C-N 3.27Å; M454-T456 PolarHBondContact O-N 3.36Å; T456-S458 VanDerWaalsContact C-N 3.3Å; T456-S458 PolarHBondContact O-N 3.4Å; T456-G459 PolarHBondContact O-N 3.33Å; T456-G459 VanDerWaalsContact O-N 3.12Å; T456-S490 WeakPolarHBondContact CG2-O 3Å; T456-S490 VanDerWaalsContact CG2-OG 3.31Å; T456-S490 WeakPolarHBondContact CG2-OG 3.28Å
457	D	78.7	Confident	91.9	Very high	98 Å²	98	40.7 Å²	40.7	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-66.1	-31.7	174.9	-73.2	-9.1	0	0	0	112.1	Y453 M454	Y453-D457 PolarHBondContact O-N 3.17Å; M454-D457 PolarHBondContact O-N 2.81Å
458	S	80.9	Confident	91.9	Very high	61 Å²	61	38.9 Å²	38.9	43%	0.427	20%	0.199	S	C	.	.	H	α-helix	trans	-75.3	-24.9	172.3	73.5	0	0	0	0	112.9	M454 A455 T456 E460	M454-S458 PolarHBondContact O-N 3.13Å; A455-S458 PolarHBondContact O-OG 2.87Å; T456-S458 VanDerWaalsContact C-N 3.3Å; T456-S458 PolarHBondContact O-N 3.4Å; S458-E460 PolarHBondContact O-N 2.93Å; S458-E460 PolarHBondContact OG-N 2.99Å
459	G	78.6	Confident	91.8	Very high	38 Å²	38	39.1 Å²	39.1	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	7	-176.8	0	0	0	0	0	114.2	A455 T456 K492	A455-G459 PolarHBondContact O-N 3.04Å; T456-G459 PolarHBondContact O-N 3.33Å; T456-G459 VanDerWaalsContact O-N 3.12Å; G459-K492 PolarHBondContact O-NZ 2.86Å
460	E	82.4	Confident	91.7	Very high	114 Å²	114	40.2 Å²	40.2	53%	0.533	21%	0.208	S	C	.	.			trans	-85.9	-35.3	-173	-66.4	179.3	159	0	0	112.5	T428 S458	T428-E460 HydrophobicContact CG2-CB 4.23Å; S458-E460 PolarHBondContact O-N 2.93Å; S458-E460 PolarHBondContact OG-N 2.99Å
461	T	89.8	Confident	91.7	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.067	20%	0.196	C	C	.	.			trans	-59.5	142.8	-180	-172.3	0	0	0	0	111.8	I424 A455 L463 K492	I424-T461 PolarHBondContact O-OG1 2.86Å; A455-T461 HydrophobicContact CB-CG2 3.83Å; T461-L463 PolarHBondContact OG1-N 3.13Å; T461-K492 WeakPolarHBondContact O-CD 3.35Å; T461-K492 PolarHBondContact O-NZ 3.44Å
462	K	94.3	Very high	91.7	Very high	93 Å²	93	41.2 Å²	41.2	40%	0.404	22%	0.219	S	C	.	.			trans	-107.3	1.5	175.1	-60.7	-66	-179.9	171.6	0	112.9	T428 L430 E431 R464	T428-K462 WeakPolarHBondContact O-CG 3.48Å; L430-K462 CarbonylContact O-C 3.15Å; L430-K462 VanDerWaalsContact O-C 3.3Å; E431-K462 HydrophobicContact CG-CB 4.04Å; K462-R464 WeakPolarHBondContact O-CG 3.5Å; K462-R464 PolarHBondContact O-N 3.16Å
463	L	96	Very high	91.7	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.047	22%	0.22	C	C	.	.			trans	-59.9	123.4	-173.8	-164.9	72.7	0	0	0	111.6	I424 L430 L433 T461 L466 L493	I424-L463 HydrophobicContact CD1-CD2 4.12Å; I424-L463 HydrophobicContact CG1-CD2 4.01Å; I424-L463 HydrophobicContact CG2-CD2 4.32Å; L430-L463 WeakPolarHBondContact O-CA 3.13Å; L430-L463 PolarHBondContact O-N 2.91Å; L430-L463 VanDerWaalsContact O-N 3.17Å; L433-L463 HydrophobicContact CB-CD1 3.96Å; T461-L463 PolarHBondContact OG1-N 3.13Å; L463-L466 HydrophobicContact CD2-CB 4.34Å; L463-L493 HydrophobicContact CB-CD1 4.4Å; L463-L493 HydrophobicContact CD2-CD1 3.94Å; L463-L493 HydrophobicContact CG-CD1 3.82Å; L463-L493 PolarHBondContact O-N 3.23Å
464	R	96.2	Very high	91.7	Very high	105 Å²	105	39.6 Å²	39.6	40%	0.396	22%	0.219	S	C	.	.			trans	-114.8	-34.3	179.3	-60.3	-174.1	-171.8	-155.3	8.6	112.2	E431 K462 K494 Q495	E431-R464 HydrophobicContact CB-CG 4.42Å; E431-R464 WeakPolarHBondContact O-CA 3.14Å; E431-R464 PolarHBondContact O-N 2.97Å; E431-R464 IonicContact OE1-CZ 3.72Å; E431-R464 IonicContact OE1-NE 3.51Å; E431-R464 IonicContact OE1-NH2 3.09Å; E431-R464 PolarHBondContact OE1-NH2 3.03Å; E431-R464 IonicContact OE2-CZ 3.12Å; E431-R464 IonicContact OE2-NE 3.84Å; E431-R464 PolarHBondContact OE2-NE 3.01Å; E431-R464 IonicContact OE2-NH2 2.69Å; K462-R464 WeakPolarHBondContact O-CG 3.5Å; K462-R464 PolarHBondContact O-N 3.16Å; R464-K494 PolarHBondContact O-N 3.01Å; R464-Q495 PolarHBondContact O-N 3.23Å
465	V	98.1	Very high	91.6	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.1	-178.7	-175.8	0	0	0	0	109.4	E431 E432 L433 Y434 Q495 M497	E431-V465 PolarHBondContact O-N 2.92Å; E432-V465 WeakPolarHBondContact CA-O 3.31Å; E432-V465 HydrophobicContact CB-CB 4.04Å; E432-V465 HydrophobicContact CG-CB 3.88Å; E432-V465 HydrophobicContact CG-CG2 3.86Å; L433-V465 PolarHBondContact N-O 3.15Å; Y434-V465 HydrophobicContact CE1-CG1 4.22Å; V465-Q495 WeakPolarHBondContact CA-O 3.43Å; V465-Q495 HydrophobicContact CG1-CB 4.28Å; V465-Q495 HydrophobicContact CG1-CG 4.49Å; V465-Q495 HydrophobicContact CG2-CB 4.2Å; V465-M497 HydrophobicContact CG1-CE 3.47Å; V465-M497 VanDerWaalsContact CG1-CE 3.47Å
466	L	98	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117	170.4	177.3	63.2	0	0	0	109	L433 L435 I448 I452 L463 V468 F481 L493 Q495 I496 M497	L433-L466 HydrophobicContact CB-CD1 4.43Å; L433-L466 HydrophobicContact CD2-CD1 4.44Å; L433-L466 HydrophobicContact CG-CD1 4.49Å; L435-L466 HydrophobicContact CD1-CD1 4.34Å; I448-L466 HydrophobicContact CG2-CD2 3.95Å; I452-L466 HydrophobicContact CD1-CD2 3.94Å; L463-L466 HydrophobicContact CD2-CB 4.34Å; L466-V468 HydrophobicContact CD1-CG1 4.01Å; L466-V468 HydrophobicContact CD2-CG1 4.42Å; L466-V468 HydrophobicContact CG-CG1 4.07Å; L466-F481 HydrophobicContact CD2-CZ 4.41Å; L466-L493 HydrophobicContact CB-CD1 4.17Å; L466-Q495 PolarHBondContact N-O 2.91Å; L466-I496 WeakPolarHBondContact O-CA 3.43Å; L466-M497 PolarHBondContact O-N 3.19Å
467	D	97.9	Very high	92.2	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.08	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.5	172.7	-165.7	-13.2	0	0	0	110.4	L433 Y434 L435 S469 M497	L433-D467 PolarHBondContact O-N 3.05Å; Y434-D467 HydrophobicContact CD1-CB 3.67Å; Y434-D467 HydrophobicContact CE1-CB 4.43Å; Y434-D467 HydrophobicContact CG-CB 4.35Å; L435-D467 CarbonylContact C-O 3.43Å; L435-D467 WeakPolarHBondContact CA-O 3.42Å; L435-D467 WeakPolarHBondContact CB-O 3.42Å; L435-D467 PolarHBondContact N-O 2.66Å; D467-S469 WeakPolarHBondContact OD1-CB 3.48Å; D467-S469 PolarHBondContact OD1-N 3.05Å; D467-S469 PolarHBondContact OD1-OG 2.97Å; D467-M497 HydrophobicContact CB-CB 4.19Å; D467-M497 HydrophobicContact CB-CE 3.54Å
468	V	97.6	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.			trans	-121	19.5	173.5	-64.5	0	0	0	0	111.1	L435 I440 I445 L466 N471 I473 M497 M498 I501	L435-V468 HydrophobicContact CB-CG1 4.5Å; I440-V468 HydrophobicContact CD1-CG1 4.31Å; I445-V468 HydrophobicContact CD1-CB 4.35Å; I445-V468 HydrophobicContact CD1-CG1 4.08Å; I445-V468 HydrophobicContact CD1-CG2 4Å; L466-V468 HydrophobicContact CD1-CG1 4.01Å; L466-V468 HydrophobicContact CD2-CG1 4.42Å; L466-V468 HydrophobicContact CG-CG1 4.07Å; V468-N471 WeakPolarHBondContact O-CB 3.33Å; V468-N471 PolarHBondContact O-ND2 3.03Å; V468-I473 HydrophobicContact CG2-CD1 4.41Å; V468-M497 PolarHBondContact N-O 3.26Å; V468-M498 HydrophobicContact CG2-CG 3.51Å; V468-I501 WeakPolarHBondContact O-CD1 3.09Å
469	S	94.3	Very high	93.7	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	150.5	-178.5	-55.4	0	0	0	0	112.7	Q436 H437 D467 N471 M497 E499	Q436-S469 CarbonylContact C-O 3.54Å; Q436-S469 WeakPolarHBondContact CA-O 3.33Å; Q436-S469 VanDerWaalsContact CB-O 3.31Å; Q436-S469 WeakPolarHBondContact CB-O 3.49Å; H437-S469 PolarHBondContact N-O 3.31Å; D467-S469 WeakPolarHBondContact OD1-CB 3.48Å; D467-S469 PolarHBondContact OD1-N 3.05Å; D467-S469 PolarHBondContact OD1-OG 2.97Å; S469-N471 PolarHBondContact O-N 3.29Å; S469-N471 VanDerWaalsContact O-N 3.15Å; S469-N471 PolarHBondContact O-ND2 3.26Å; S469-M497 PolarHBondContact N-O 2.92Å; S469-M497 PolarHBondContact OG-O 3.14Å; S469-E499 CarbonylContact C-O 3.5Å; S469-E499 WeakPolarHBondContact CA-O 3.46Å; S469-E499 WeakPolarHBondContact CB-O 3.45Å; S469-E499 PolarHBondContact OG-N 2.81Å
470	S	93.8	Very high	94.6	Very high	23 Å²	23	38.5 Å²	38.5	16%	0.161	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	31.7	178.6	-66.3	0	0	0	0	115.4	H437 E499 E500	H437-S470 WeakPolarHBondContact CA-O 3.09Å; H437-S470 WeakPolarHBondContact CE1-CB 3.4Å; H437-S470 PolarHBondContact CE1-OG 2.87Å; H437-S470 VanDerWaalsContact CE1-OG 3.23Å; H437-S470 VanDerWaalsContact ND1-CB 3.28Å; H437-S470 WeakPolarHBondContact ND1-CB 3.34Å; S470-E499 PolarHBondContact N-O 3.44Å; S470-E500 WeakPolarHBondContact OG-CB 3.34Å
471	N	96.4	Very high	95.3	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.053	16%	0.164	C	C	.	.	S	Bend	trans	-97.3	154.3	168.1	-81.6	-87.4	0	0	0	110.8	L435 N438 R439 I440 V468 S469 I473 I501	L435-N471 PolarHBondContact O-ND2 2.87Å; N438-N471 WeakPolarHBondContact CA-OD1 3.2Å; N438-N471 VanDerWaalsContact CB-OD1 3.23Å; N438-N471 WeakPolarHBondContact CB-OD1 3.48Å; N438-N471 PolarHBondContact N-OD1 2.95Å; N438-N471 PolarHBondContact O-OD1 3.28Å; R439-N471 PolarHBondContact N-OD1 3.31Å; I440-N471 HydrophobicContact CB-CB 4.08Å; I440-N471 WeakPolarHBondContact CB-OD1 3.39Å; I440-N471 WeakPolarHBondContact CG1-OD1 3.4Å; I440-N471 PolarHBondContact N-OD1 2.77Å; V468-N471 WeakPolarHBondContact O-CB 3.33Å; V468-N471 PolarHBondContact O-ND2 3.03Å; S469-N471 PolarHBondContact O-N 3.29Å; S469-N471 VanDerWaalsContact O-N 3.15Å; S469-N471 PolarHBondContact O-ND2 3.26Å; N471-I473 HydrophobicContact CB-CD1 3.96Å; N471-I473 HydrophobicContact CB-CG1 3.99Å; N471-I473 PolarHBondContact O-N 2.95Å; N471-I501 HydrophobicContact CB-CD1 4.45Å
472	P	94.7	Very high	95.7	Very high	84 Å²	84	32.6 Å²	32.6	55%	0.545	16%	0.161	S	C	.	.			trans	-75.5	62.3	-178.9	34	-38.2	0	0	0	112.2	I440	I440-P472 VanDerWaalsContact O-CD 3.3Å; I440-P472 WeakPolarHBondContact O-CD 2.98Å
473	I	95.7	Very high	95.8	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.036	16%	0.162	C	C	.	.			trans	-102.1	128.8	179.4	-54.9	171.3	0	0	0	108.5	I440 I445 V468 N471 L478 I501	I440-I473 HydrophobicContact CG2-CD1 4.33Å; I440-I473 VanDerWaalsContact O-CG1 3.28Å; I440-I473 WeakPolarHBondContact O-CG1 3.35Å; I445-I473 HydrophobicContact CB-CD1 3.88Å; I445-I473 HydrophobicContact CB-CG1 4.4Å; I445-I473 HydrophobicContact CD1-CD1 4.05Å; I445-I473 HydrophobicContact CG1-CD1 3.85Å; I445-I473 HydrophobicContact CG2-CD1 4.21Å; I445-I473 HydrophobicContact CG2-CG1 4.31Å; I445-I473 HydrophobicContact CG2-CG2 3.74Å; V468-I473 HydrophobicContact CG2-CD1 4.41Å; N471-I473 HydrophobicContact CB-CD1 3.96Å; N471-I473 HydrophobicContact CB-CG1 3.99Å; N471-I473 PolarHBondContact O-N 2.95Å; I473-L478 HydrophobicContact CG2-CD2 3.75Å; I473-L478 HydrophobicContact CG2-CG 3.8Å; I473-I501 HydrophobicContact CB-CD1 4.19Å; I473-I501 HydrophobicContact CB-CG2 4.1Å; I473-I501 HydrophobicContact CD1-CD1 3.83Å; I473-I501 HydrophobicContact CG1-CD1 4.27Å; I473-I501 WeakPolarHBondContact O-CG2 3.42Å
474	S	93.3	Very high	95.8	Very high	38 Å²	38	33.4 Å²	33.4	27%	0.266	17%	0.165	S	C	.	.			trans	-79.7	165.3	174.8	83.2	0	0	0	0	111.5	D442 K476 G477 L478	D442-S474 WeakPolarHBondContact OD1-CB 3.5Å; D442-S474 PolarHBondContact OD1-N 3.45Å; D442-S474 PolarHBondContact OD1-OG 3.09Å; D442-S474 VanDerWaalsContact OD1-OG 3.12Å; D442-S474 WeakPolarHBondContact OD2-CB 3.49Å; D442-S474 PolarHBondContact OD2-OG 3.08Å; S474-K476 PolarHBondContact O-N 3.42Å; S474-K476 PolarHBondContact OG-N 3.49Å; S474-G477 PolarHBondContact O-N 3.18Å; S474-G477 PolarHBondContact OG-N 3.33Å; S474-G477 VanDerWaalsContact OG-N 3.11Å; S474-L478 PolarHBondContact O-N 3.22Å
475	T	90	Very high	95.8	Very high	30 Å²	30	28.4 Å²	28.4	18%	0.184	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-33.1	174.3	66.8	0	0	0	0	112.3	L478 Y479 D504 L529	T475-L478 PolarHBondContact O-N 3.07Å; T475-Y479 WeakPolarHBondContact O-CB 3.41Å; T475-Y479 PolarHBondContact O-N 3.3Å; T475-D504 WeakPolarHBondContact CB-OD2 3.42Å; T475-D504 HydrophobicContact CG2-CB 4.22Å; T475-D504 PolarHBondContact OG1-OD2 3.06Å; T475-L529 HydrophobicContact CG2-CD1 3.52Å; T475-L529 HydrophobicContact CG2-CG 4.25Å
476	K	93.6	Very high	95.6	Very high	143 Å²	143	30.4 Å²	30.4	62%	0.622	16%	0.158	S	C	*	.	H	α-helix	trans	-66.5	-40.9	173.7	-176	-178.7	177.9	-176.5	0	112	S474 Y479 N480	S474-K476 PolarHBondContact O-N 3.42Å; S474-K476 PolarHBondContact OG-N 3.49Å; K476-Y479 PolarHBondContact O-N 2.53Å; K476-N480 WeakPolarHBondContact O-CB 3.37Å; K476-N480 PolarHBondContact O-N 3.31Å
477	G	96	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-46.2	173.7	0	0	0	0	0	111.8	D442 S474 N480 F481	D442-G477 WeakPolarHBondContact OD1-CA 3.49Å; S474-G477 PolarHBondContact O-N 3.18Å; S474-G477 PolarHBondContact OG-N 3.33Å; S474-G477 VanDerWaalsContact OG-N 3.11Å; G477-N480 PolarHBondContact O-N 2.88Å; G477-F481 WeakPolarHBondContact O-CB 3.34Å; G477-F481 PolarHBondContact O-N 2.77Å
478	L	95.5	Very high	95.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-43.1	174.9	-72.3	-170.1	0	0	0	112.9	I473 S474 T475 N480 F481 F482 M498 I501 V503	I473-L478 HydrophobicContact CG2-CD2 3.75Å; I473-L478 HydrophobicContact CG2-CG 3.8Å; S474-L478 PolarHBondContact O-N 3.22Å; T475-L478 PolarHBondContact O-N 3.07Å; L478-N480 VanDerWaalsContact C-N 3.32Å; L478-N480 PolarHBondContact O-N 3.44Å; L478-F481 WeakPolarHBondContact O-CB 3.38Å; L478-F481 PolarHBondContact O-N 2.79Å; L478-F482 VanDerWaalsContact O-CD2 3.23Å; L478-F482 WeakPolarHBondContact O-CD2 3.48Å; L478-F482 PolarHBondContact O-N 2.82Å; L478-M498 HydrophobicContact CD1-SD 4.47Å; L478-M498 HydrophobicContact CD2-CG 4.18Å; L478-M498 HydrophobicContact CD2-SD 3.51Å; L478-M498 VanDerWaalsContact CD2-SD 3.51Å; L478-I501 HydrophobicContact CD1-CB 4.2Å; L478-I501 HydrophobicContact CD1-CG2 3.53Å; L478-I501 HydrophobicContact CD2-CG2 4.47Å; L478-I501 HydrophobicContact CG-CG2 4.03Å; L478-V503 HydrophobicContact CD1-CG1 3.54Å
479	Y	95.8	Very high	94.7	Very high	74 Å²	74	43.3 Å²	43.3	29%	0.29	22%	0.217	S	C	.	.	H	α-helix	trans	-56.7	-47.2	174.5	175.8	-88.7	0	0	0	111.2	T475 K476 F482 K483 E506 L510	T475-Y479 WeakPolarHBondContact O-CB 3.41Å; T475-Y479 PolarHBondContact O-N 3.3Å; K476-Y479 PolarHBondContact O-N 2.53Å; Y479-F482 PolarHBondContact O-N 2.85Å; Y479-K483 HydrophobicContact CE1-CD 3.91Å; Y479-K483 WeakPolarHBondContact O-CB 3.33Å; Y479-K483 PolarHBondContact O-N 2.68Å; Y479-E506 HydrophobicContact CD2-CB 4.03Å; Y479-E506 HydrophobicContact CE2-CB 4.12Å; Y479-L510 HydrophobicContact CD2-CD1 3.55Å; Y479-L510 HydrophobicContact CD2-CG 4.36Å; Y479-L510 HydrophobicContact CE2-CD1 3.61Å; Y479-L510 HydrophobicContact CE2-CG 4.2Å; Y479-L510 HydrophobicContact CG-CD1 4.16Å
480	N	97.4	Very high	94.5	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-42.6	177.9	-79	-4.5	0	0	0	112.1	E446 K476 G477 L478 K483 Q484	E446-N480 HydrophobicContact CB-CB 4.29Å; E446-N480 HydrophobicContact CG-CB 4.04Å; E446-N480 PolarHBondContact OE2-ND2 3.36Å; K476-N480 WeakPolarHBondContact O-CB 3.37Å; K476-N480 PolarHBondContact O-N 3.31Å; G477-N480 PolarHBondContact O-N 2.88Å; L478-N480 VanDerWaalsContact C-N 3.32Å; L478-N480 PolarHBondContact O-N 3.44Å; N480-K483 PolarHBondContact O-N 3.47Å; N480-Q484 WeakPolarHBondContact O-CG 3.27Å; N480-Q484 PolarHBondContact O-N 2.81Å
481	F	97.8	Very high	94.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-53.9	174.7	168.7	-110.1	0	0	0	112.1	I445 I448 I452 L466 G477 L478 K483 Q484 I485 I496 M498	I445-F481 HydrophobicContact CD1-CD2 4.02Å; I445-F481 HydrophobicContact CD1-CE2 4.08Å; I445-F481 HydrophobicContact CD1-CG 4.4Å; I445-F481 HydrophobicContact CD1-CZ 4.49Å; I445-F481 HydrophobicContact CG1-CB 3.95Å; I445-F481 HydrophobicContact CG1-CD1 4.47Å; I445-F481 HydrophobicContact CG1-CD2 3.77Å; I445-F481 HydrophobicContact CG1-CE2 4.34Å; I445-F481 HydrophobicContact CG1-CG 3.82Å; I445-F481 VanDerWaalsContact O-CD2 3.32Å; I445-F481 WeakPolarHBondContact O-CD2 3.4Å; I448-F481 HydrophobicContact CG2-CE2 4.14Å; I452-F481 HydrophobicContact CD1-CE2 3.9Å; I452-F481 HydrophobicContact CD1-CZ 4.24Å; L466-F481 HydrophobicContact CD2-CZ 4.41Å; G477-F481 WeakPolarHBondContact O-CB 3.34Å; G477-F481 PolarHBondContact O-N 2.77Å; L478-F481 WeakPolarHBondContact O-CB 3.38Å; L478-F481 PolarHBondContact O-N 2.79Å; F481-K483 VanDerWaalsContact C-N 3.3Å; F481-K483 PolarHBondContact O-N 3.17Å; F481-Q484 WeakPolarHBondContact O-CB 3.49Å; F481-Q484 PolarHBondContact O-N 2.83Å; F481-I485 HydrophobicContact CD1-CD1 3.98Å; F481-I485 HydrophobicContact CD2-CD1 4.22Å; F481-I485 HydrophobicContact CE1-CD1 3.42Å; F481-I485 VanDerWaalsContact CE1-CD1 3.42Å; F481-I485 HydrophobicContact CE2-CD1 3.7Å; F481-I485 HydrophobicContact CE2-CG1 4.49Å; F481-I485 HydrophobicContact CG-CD1 4.36Å; F481-I485 HydrophobicContact CZ-CD1 3.29Å; F481-I485 HydrophobicContact CZ-CG1 4.48Å; F481-I485 PolarHBondContact O-N 2.8Å; F481-I496 HydrophobicContact CE1-CD1 4.45Å; F481-I496 HydrophobicContact CE1-CG2 4.12Å; F481-I496 HydrophobicContact CZ-CD1 4.48Å; F481-I496 HydrophobicContact CZ-CG2 4.31Å; F481-M498 HydrophobicContact CD1-SD 4.37Å; F481-M498 HydrophobicContact CE1-SD 4.11Å
482	F	97.1	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-31.1	179.9	-75.9	-61	0	0	0	113.2	L478 Y479 Q484 I485 T486 I496 M498 C507 L510 I511 L514 I523	L478-F482 VanDerWaalsContact O-CD2 3.23Å; L478-F482 WeakPolarHBondContact O-CD2 3.48Å; L478-F482 PolarHBondContact O-N 2.82Å; Y479-F482 PolarHBondContact O-N 2.85Å; F482-Q484 PolarHBondContact O-N 3.06Å; F482-I485 HydrophobicContact CD1-CD1 4.09Å; F482-I485 HydrophobicContact CE1-CD1 4.47Å; F482-I485 PolarHBondContact O-N 3.37Å; F482-I485 VanDerWaalsContact O-N 3.13Å; F482-T486 WeakPolarHBondContact O-CG2 3.24Å; F482-T486 PolarHBondContact O-N 3.16Å; F482-T486 PolarHBondContact O-OG1 3.25Å; F482-I496 HydrophobicContact CE1-CD1 4.27Å; F482-M498 HydrophobicContact CE1-CE 4.25Å; F482-M498 HydrophobicContact CE2-CE 3.84Å; F482-M498 HydrophobicContact CE2-SD 3.84Å; F482-M498 HydrophobicContact CZ-CE 3.26Å; F482-M498 HydrophobicContact CZ-SD 3.73Å; F482-C507 VanDerWaalsContact CD2-SG 3.56Å; F482-L510 HydrophobicContact CB-CB 4Å; F482-L510 HydrophobicContact CB-CD1 4Å; F482-I511 HydrophobicContact CD1-CG1 4.39Å; F482-I511 HydrophobicContact CD2-CD1 4.26Å; F482-I511 HydrophobicContact CD2-CG1 3.9Å; F482-I511 HydrophobicContact CE1-CG1 4.06Å; F482-I511 HydrophobicContact CE2-CD1 3.59Å; F482-I511 HydrophobicContact CE2-CG1 3.53Å; F482-I511 HydrophobicContact CG-CG1 4.28Å; F482-I511 HydrophobicContact CZ-CD1 3.85Å; F482-I511 HydrophobicContact CZ-CG1 3.56Å; F482-L514 HydrophobicContact CB-CD1 4.28Å; F482-L514 HydrophobicContact CD1-CD1 3.41Å; F482-L514 VanDerWaalsContact CD1-CD1 3.41Å; F482-L514 HydrophobicContact CE1-CD1 4.09Å; F482-L514 HydrophobicContact CG-CD1 4.23Å; F482-I523 HydrophobicContact CE1-CD1 3.81Å; F482-I523 HydrophobicContact CE1-CG2 4.34Å; F482-I523 HydrophobicContact CZ-CD1 4.31Å; F482-I523 HydrophobicContact CZ-CG2 3.84Å
483	K	97	Very high	94.2	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-26	172.4	-178.4	177.3	178.2	-179.9	0	112.7	Y479 N480 F481 T486 L510	Y479-K483 HydrophobicContact CE1-CD 3.91Å; Y479-K483 WeakPolarHBondContact O-CB 3.33Å; Y479-K483 PolarHBondContact O-N 2.68Å; N480-K483 PolarHBondContact O-N 3.47Å; F481-K483 VanDerWaalsContact C-N 3.3Å; F481-K483 PolarHBondContact O-N 3.17Å; K483-T486 PolarHBondContact O-OG1 3.36Å; K483-T486 VanDerWaalsContact O-OG1 3.08Å; K483-L510 HydrophobicContact CB-CD1 4.21Å
484	Q	96.2	Very high	94.1	Very high	21 Å²	21	50 Å²	50	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-76.6	-45.1	170.2	-56.4	-58	-26.4	0	0	111	G449 Q450 N480 F481 F482 T486 K487	G449-Q484 VanDerWaalsContact C-CB 3.48Å; G449-Q484 WeakPolarHBondContact O-CB 3.4Å; Q450-Q484 HydrophobicContact CG-CG 3.81Å; N480-Q484 WeakPolarHBondContact O-CG 3.27Å; N480-Q484 PolarHBondContact O-N 2.81Å; F481-Q484 WeakPolarHBondContact O-CB 3.49Å; F481-Q484 PolarHBondContact O-N 2.83Å; F482-Q484 PolarHBondContact O-N 3.06Å; Q484-T486 VanDerWaalsContact C-N 3.28Å; Q484-T486 PolarHBondContact O-N 2.95Å; Q484-K487 VanDerWaalsContact O-CB 3.27Å; Q484-K487 WeakPolarHBondContact O-CB 3.47Å; Q484-K487 PolarHBondContact O-N 3.17Å
485	I	95	Very high	94.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-33.7	-178.1	-61.4	170.8	0	0	0	111.9	F481 F482 K487 C488 L491 I496 L514	F481-I485 HydrophobicContact CD1-CD1 3.98Å; F481-I485 HydrophobicContact CD2-CD1 4.22Å; F481-I485 HydrophobicContact CE1-CD1 3.42Å; F481-I485 VanDerWaalsContact CE1-CD1 3.42Å; F481-I485 HydrophobicContact CE2-CD1 3.7Å; F481-I485 HydrophobicContact CE2-CG1 4.49Å; F481-I485 HydrophobicContact CG-CD1 4.36Å; F481-I485 HydrophobicContact CZ-CD1 3.29Å; F481-I485 HydrophobicContact CZ-CG1 4.48Å; F481-I485 PolarHBondContact O-N 2.8Å; F482-I485 HydrophobicContact CD1-CD1 4.09Å; F482-I485 HydrophobicContact CE1-CD1 4.47Å; F482-I485 PolarHBondContact O-N 3.37Å; F482-I485 VanDerWaalsContact O-N 3.13Å; I485-K487 PolarHBondContact O-N 2.95Å; I485-K487 VanDerWaalsContact O-N 3.11Å; I485-C488 VanDerWaalsContact O-CB 3.29Å; I485-C488 WeakPolarHBondContact O-CB 3.33Å; I485-C488 PolarHBondContact O-N 2.96Å; I485-C488 PolarHBondContact O-SG 2.89Å; I485-C488 VanDerWaalsContact O-SG 3.34Å; I485-L491 HydrophobicContact CG2-CD2 4.03Å; I485-I496 HydrophobicContact CD1-CD1 3.87Å; I485-L514 HydrophobicContact CB-CD1 4.2Å; I485-L514 HydrophobicContact CB-CD2 4.47Å; I485-L514 HydrophobicContact CG2-CD1 3.98Å; I485-L514 HydrophobicContact CG2-CD2 3.81Å
486	T	94.7	Very high	94.6	Very high	54 Å²	54	50 Å²	50	33%	0.331	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.3	176.2	51.4	0	0	0	0	114	F482 K483 Q484 L510 L514	F482-T486 WeakPolarHBondContact O-CG2 3.24Å; F482-T486 PolarHBondContact O-N 3.16Å; F482-T486 PolarHBondContact O-OG1 3.25Å; K483-T486 PolarHBondContact O-OG1 3.36Å; K483-T486 VanDerWaalsContact O-OG1 3.08Å; Q484-T486 VanDerWaalsContact C-N 3.28Å; Q484-T486 PolarHBondContact O-N 2.95Å; T486-L510 HydrophobicContact CG2-CD2 4.27Å; T486-L514 HydrophobicContact CG2-CD1 4.07Å; T486-L514 HydrophobicContact CG2-CD2 3.64Å; T486-L514 HydrophobicContact CG2-CG 3.66Å
487	K	94.3	Very high	94.7	Very high	96 Å²	96	44 Å²	44	42%	0.417	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.9	174.3	-57.4	173.9	-177	173.8	0	112.9	Y453 Q484 I485	Y453-K487 HydrophobicContact CD1-CD 4.31Å; Y453-K487 HydrophobicContact CD2-CB 3.81Å; Y453-K487 HydrophobicContact CE1-CB 4.47Å; Y453-K487 HydrophobicContact CE1-CD 4.21Å; Y453-K487 HydrophobicContact CE2-CB 3.73Å; Y453-K487 HydrophobicContact CG-CB 4.26Å; Q484-K487 VanDerWaalsContact O-CB 3.27Å; Q484-K487 WeakPolarHBondContact O-CB 3.47Å; Q484-K487 PolarHBondContact O-N 3.17Å; I485-K487 PolarHBondContact O-N 2.95Å; I485-K487 VanDerWaalsContact O-N 3.11Å
488	C	92.3	Very high	94.6	Very high	7 Å²	7	44 Å²	44	5%	0.047	21%	0.212	C	C	.	.			trans	-66.2	136.5	-179.2	-58.9	0	0	0	0	110.8	I485 S490 F518	I485-C488 VanDerWaalsContact O-CB 3.29Å; I485-C488 WeakPolarHBondContact O-CB 3.33Å; I485-C488 PolarHBondContact O-N 2.96Å; I485-C488 PolarHBondContact O-SG 2.89Å; I485-C488 VanDerWaalsContact O-SG 3.34Å; C488-S490 WeakPolarHBondContact CB-O 3.24Å; C488-F518 HydrophobicContact CB-CZ 4.32Å; C488-F518 WeakPolarHBondContact O-CZ 3.5Å
489	Q	88.8	Confident	94.2	Very high	183 Å²	183	48.7 Å²	48.7	86%	0.855	23%	0.233	S	C	*	.	S	Bend	trans	-90.5	-28.3	173.6	-64.7	-177.3	5	0	0	112.7
490	S	89.9	Confident	93.6	Very high	67 Å²	67	51.2 Å²	51.2	47%	0.469	25%	0.248	S	C	.	.	S	Bend	trans	-126.6	161	169.4	70.3	0	0	0	0	108.2	T456 C488	T456-S490 WeakPolarHBondContact CG2-O 3Å; T456-S490 VanDerWaalsContact CG2-OG 3.31Å; T456-S490 WeakPolarHBondContact CG2-OG 3.28Å; C488-S490 WeakPolarHBondContact CB-O 3.24Å
491	L	91.3	Very high	93.2	Very high	30 Å²	30	49.5 Å²	49.5	16%	0.157	24%	0.239	C	C	.	.			trans	-150.6	120.9	175	-168.6	67.4	0	0	0	108.8	I452 I485 L493 F518 L521	I452-L491 HydrophobicContact CG2-CD1 3.89Å; I485-L491 HydrophobicContact CG2-CD2 4.03Å; L491-L493 HydrophobicContact CD1-CB 4.02Å; L491-L493 HydrophobicContact CD2-CB 4.12Å; L491-L493 HydrophobicContact CG-CB 3.8Å; L491-F518 HydrophobicContact CB-CD1 3.93Å; L491-F518 HydrophobicContact CB-CD2 4.33Å; L491-F518 HydrophobicContact CB-CE1 3.82Å; L491-F518 HydrophobicContact CB-CE2 4.22Å; L491-F518 HydrophobicContact CB-CG 4.19Å; L491-F518 HydrophobicContact CB-CZ 3.96Å; L491-F518 HydrophobicContact CD2-CD2 4.1Å; L491-F518 HydrophobicContact CD2-CE2 4.34Å; L491-F518 HydrophobicContact CD2-CG 4.42Å; L491-L521 HydrophobicContact CD2-CD1 4.04Å; L491-L521 HydrophobicContact CD2-CD2 3.83Å; L491-L521 HydrophobicContact CD2-CG 4.47Å
492	K	91.6	Very high	92.4	Very high	79 Å²	79	49.8 Å²	49.8	34%	0.343	24%	0.241	S	C	.	.			trans	-82.8	-21.2	174.6	-70.3	-177.4	-173	171.8	0	113	G459 T461 K494	G459-K492 PolarHBondContact O-NZ 2.86Å; T461-K492 WeakPolarHBondContact O-CD 3.35Å; T461-K492 PolarHBondContact O-NZ 3.44Å; K492-K494 PolarHBondContact O-N 3.32Å
493	L	94.2	Very high	91.8	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	24%	0.241	C	C	.	.			trans	-59.8	123.1	177.2	-155.8	65.9	0	0	0	108.9	I452 L463 L466 L491 I496 L521	I452-L493 HydrophobicContact CD1-CD2 4.28Å; L463-L493 HydrophobicContact CB-CD1 4.4Å; L463-L493 HydrophobicContact CD2-CD1 3.94Å; L463-L493 HydrophobicContact CG-CD1 3.82Å; L463-L493 PolarHBondContact O-N 3.23Å; L466-L493 HydrophobicContact CB-CD1 4.17Å; L491-L493 HydrophobicContact CD1-CB 4.02Å; L491-L493 HydrophobicContact CD2-CB 4.12Å; L491-L493 HydrophobicContact CG-CB 3.8Å; L493-I496 HydrophobicContact CD2-CD1 3.68Å; L493-I496 HydrophobicContact CD2-CG1 3.38Å; L493-I496 HydrophobicContact CG-CG1 4.02Å; L493-L521 WeakPolarHBondContact O-CD1 3.43Å
494	K	95	Very high	91.2	Very high	87 Å²	87	46.5 Å²	46.5	38%	0.378	23%	0.228	S	C	.	.			trans	-101.7	-26.2	179.2	-61.9	-163.1	175.6	-125.9	0	111.9	R464 K492 E520 C522	R464-K494 PolarHBondContact O-N 3.01Å; K492-K494 PolarHBondContact O-N 3.32Å; K494-E520 IonicContact NZ-OE2 3.71Å; K494-E520 PolarHBondContact NZ-OE2 2.82Å; K494-C522 PolarHBondContact O-N 2.82Å
495	Q	96.7	Very high	90.5	Very high	68 Å²	68	49 Å²	49	32%	0.318	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126.3	-176.2	-171.3	168.1	-5.4	0	0	111.4	R464 V465 L466 M497 C522	R464-Q495 PolarHBondContact O-N 3.23Å; V465-Q495 WeakPolarHBondContact CA-O 3.43Å; V465-Q495 HydrophobicContact CG1-CB 4.28Å; V465-Q495 HydrophobicContact CG1-CG 4.49Å; V465-Q495 HydrophobicContact CG2-CB 4.2Å; L466-Q495 PolarHBondContact N-O 2.91Å; Q495-M497 HydrophobicContact CG-CE 4.41Å; Q495-M497 HydrophobicContact CG-CG 3.89Å; Q495-M497 HydrophobicContact CG-SD 4.36Å; Q495-M497 PolarHBondContact NE2-SD 2.93Å; Q495-C522 CarbonylContact C-O 3.45Å; Q495-C522 VanDerWaalsContact CA-O 3.32Å; Q495-C522 WeakPolarHBondContact CA-O 3.31Å
496	I	97.1	Very high	90.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.6	168.8	-55.2	172.9	0	0	0	107.4	L466 F481 F482 I485 L493 M498 L521 C522 I523 T524	L466-I496 WeakPolarHBondContact O-CA 3.43Å; F481-I496 HydrophobicContact CE1-CD1 4.45Å; F481-I496 HydrophobicContact CE1-CG2 4.12Å; F481-I496 HydrophobicContact CZ-CD1 4.48Å; F481-I496 HydrophobicContact CZ-CG2 4.31Å; F482-I496 HydrophobicContact CE1-CD1 4.27Å; I485-I496 HydrophobicContact CD1-CD1 3.87Å; L493-I496 HydrophobicContact CD2-CD1 3.68Å; L493-I496 HydrophobicContact CD2-CG1 3.38Å; L493-I496 HydrophobicContact CG-CG1 4.02Å; I496-M498 HydrophobicContact CB-CE 4.38Å; I496-M498 HydrophobicContact CG2-CE 3.54Å; I496-M498 HydrophobicContact CG2-CG 4.3Å; I496-M498 HydrophobicContact CG2-SD 3.97Å; I496-L521 HydrophobicContact CD1-CD1 4.15Å; I496-L521 HydrophobicContact CG1-CD1 4.13Å; I496-C522 PolarHBondContact N-O 3.32Å; I496-I523 HydrophobicContact CB-CG1 4.41Å; I496-I523 HydrophobicContact CD1-CG1 4.45Å; I496-I523 WeakPolarHBondContact O-CA 3.42Å; I496-T524 PolarHBondContact O-N 2.71Å
497	M	95.5	Very high	89.9	Confident	17 Å²	17	52 Å²	52	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.5	177.6	-60.7	175.9	-81.1	0	0	110.2	Y434 V465 L466 D467 V468 S469 Q495 T524	Y434-M497 HydrophobicContact CD1-CE 4.2Å; Y434-M497 HydrophobicContact CE1-CE 3.74Å; V465-M497 HydrophobicContact CG1-CE 3.47Å; V465-M497 VanDerWaalsContact CG1-CE 3.47Å; L466-M497 PolarHBondContact O-N 3.19Å; D467-M497 HydrophobicContact CB-CB 4.19Å; D467-M497 HydrophobicContact CB-CE 3.54Å; V468-M497 PolarHBondContact N-O 3.26Å; S469-M497 PolarHBondContact N-O 2.92Å; S469-M497 PolarHBondContact OG-O 3.14Å; Q495-M497 HydrophobicContact CG-CE 4.41Å; Q495-M497 HydrophobicContact CG-CG 3.89Å; Q495-M497 HydrophobicContact CG-SD 4.36Å; Q495-M497 PolarHBondContact NE2-SD 2.93Å; M497-T524 WeakPolarHBondContact CA-OG1 3.38Å; M497-T524 WeakPolarHBondContact CG-OG1 3.5Å
498	M	93.3	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	43	175.2	-64.6	153.3	-62.7	0	0	109.3	V468 L478 F481 F482 I496 I501 I523 T524 H525 G526	V468-M498 HydrophobicContact CG2-CG 3.51Å; L478-M498 HydrophobicContact CD1-SD 4.47Å; L478-M498 HydrophobicContact CD2-CG 4.18Å; L478-M498 HydrophobicContact CD2-SD 3.51Å; L478-M498 VanDerWaalsContact CD2-SD 3.51Å; F481-M498 HydrophobicContact CD1-SD 4.37Å; F481-M498 HydrophobicContact CE1-SD 4.11Å; F482-M498 HydrophobicContact CE1-CE 4.25Å; F482-M498 HydrophobicContact CE2-CE 3.84Å; F482-M498 HydrophobicContact CE2-SD 3.84Å; F482-M498 HydrophobicContact CZ-CE 3.26Å; F482-M498 HydrophobicContact CZ-SD 3.73Å; I496-M498 HydrophobicContact CB-CE 4.38Å; I496-M498 HydrophobicContact CG2-CE 3.54Å; I496-M498 HydrophobicContact CG2-CG 4.3Å; I496-M498 HydrophobicContact CG2-SD 3.97Å; M498-I501 HydrophobicContact CB-CB 4.37Å; M498-I501 HydrophobicContact CB-CD1 4.15Å; M498-I501 HydrophobicContact CB-CG1 4.47Å; M498-I501 WeakPolarHBondContact O-CB 3.34Å; M498-I501 PolarHBondContact O-N 2.83Å; M498-I523 HydrophobicContact CE-CG2 3.5Å; M498-I523 VanDerWaalsContact CE-CG2 3.5Å; M498-T524 PolarHBondContact N-O 3.26Å; M498-H525 CarbonylContact O-C 3.57Å; M498-H525 WeakPolarHBondContact O-CA 3.46Å; M498-G526 PolarHBondContact O-N 3.03Å
499	E	86.6	Confident	89.6	Confident	97 Å²	97	52.9 Å²	52.9	45%	0.453	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	147.4	176.8	-60.2	-177.4	-178.7	0	0	109.8	S469 S470 I501	S469-E499 CarbonylContact C-O 3.5Å; S469-E499 WeakPolarHBondContact CA-O 3.46Å; S469-E499 WeakPolarHBondContact CB-O 3.45Å; S469-E499 PolarHBondContact OG-N 2.81Å; S470-E499 PolarHBondContact N-O 3.44Å; E499-I501 PolarHBondContact O-N 3.13Å
500	E	84.4	Confident	89.9	Confident	127 Å²	127	45.6 Å²	45.6	59%	0.593	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	8.7	-174	-54.8	-59.5	131.8	0	0	116	S470	S470-E500 WeakPolarHBondContact OG-CB 3.34Å
501	I	88.9	Confident	90	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.198	C	C	.	.			trans	-107.5	116.3	173.5	-48.8	-176	0	0	0	109.2	V468 N471 I473 L478 M498 E499 G526	V468-I501 WeakPolarHBondContact O-CD1 3.09Å; N471-I501 HydrophobicContact CB-CD1 4.45Å; I473-I501 HydrophobicContact CB-CD1 4.19Å; I473-I501 HydrophobicContact CB-CG2 4.1Å; I473-I501 HydrophobicContact CD1-CD1 3.83Å; I473-I501 HydrophobicContact CG1-CD1 4.27Å; I473-I501 WeakPolarHBondContact O-CG2 3.42Å; L478-I501 HydrophobicContact CD1-CB 4.2Å; L478-I501 HydrophobicContact CD1-CG2 3.53Å; L478-I501 HydrophobicContact CD2-CG2 4.47Å; L478-I501 HydrophobicContact CG-CG2 4.03Å; M498-I501 HydrophobicContact CB-CB 4.37Å; M498-I501 HydrophobicContact CB-CD1 4.15Å; M498-I501 HydrophobicContact CB-CG1 4.47Å; M498-I501 WeakPolarHBondContact O-CB 3.34Å; M498-I501 PolarHBondContact O-N 2.83Å; E499-I501 PolarHBondContact O-N 3.13Å; I501-G526 WeakPolarHBondContact O-CA 3.14Å; I501-G526 PolarHBondContact O-N 3.41Å
502	P	81.5	Confident	90	Very high	6 Å²	6	45 Å²	45	4%	0.039	21%	0.21	C	C	.	.			trans	-66.5	149.8	-178.2	28.3	-34.2	0	0	0	111.3	P527 L529 Q535	P502-P527 CarbonylContact C-O 3.45Å; P502-P527 WeakPolarHBondContact CA-O 3.41Å; P502-L529 HydrophobicContact CB-CD1 4.28Å; P502-L529 HydrophobicContact CB-CD2 3.71Å; P502-L529 HydrophobicContact CB-CG 3.88Å; P502-Q535 HydrophobicContact CG-CG 4.26Å
503	V	83.6	Confident	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-125.3	136.4	177.9	-69.8	0	0	0	0	109.8	L478 C507 M508 I511 H525 P527 Q528 L529	L478-V503 HydrophobicContact CD1-CG1 3.54Å; V503-C507 HydrophobicContact CB-CB 4.42Å; V503-M508 HydrophobicContact CB-CG 4.34Å; V503-M508 HydrophobicContact CB-SD 4.31Å; V503-M508 HydrophobicContact CG2-CG 3.82Å; V503-M508 HydrophobicContact CG2-SD 3.55Å; V503-M508 VanDerWaalsContact CG2-SD 3.55Å; V503-I511 HydrophobicContact CG1-CD1 4.24Å; V503-H525 HydrophobicContact CG1-CB 3.88Å; V503-H525 HydrophobicContact CG2-CB 4.45Å; V503-H525 WeakPolarHBondContact CG2-ND1 3.09Å; V503-P527 PolarHBondContact N-O 2.93Å; V503-Q528 HydrophobicContact CG2-CB 4.36Å; V503-Q528 HydrophobicContact CG2-CG 3.78Å; V503-Q528 CarbonylContact O-C 3.48Å; V503-Q528 VanDerWaalsContact O-CA 3.26Å; V503-Q528 WeakPolarHBondContact O-CA 3.35Å; V503-L529 PolarHBondContact O-N 3.2Å
504	D	84	Confident	90.2	Very high	29 Å²	29	43.7 Å²	43.7	16%	0.155	21%	0.211	C	C	.	.			trans	-88.8	175.7	173.1	59.1	29.5	0	0	0	111.9	T475 E506 C507 M508	T475-D504 WeakPolarHBondContact CB-OD2 3.42Å; T475-D504 HydrophobicContact CG2-CB 4.22Å; T475-D504 PolarHBondContact OG1-OD2 3.06Å; D504-E506 VanDerWaalsContact C-N 3.3Å; D504-E506 PolarHBondContact O-N 2.94Å; D504-E506 PolarHBondContact OD1-N 3.42Å; D504-C507 PolarHBondContact O-N 2.77Å; D504-C507 WeakPolarHBondContact OD1-CB 3.48Å; D504-C507 PolarHBondContact OD1-N 3.21Å; D504-M508 WeakPolarHBondContact O-CG 3.48Å; D504-M508 PolarHBondContact O-N 3.38Å
505	F	81.6	Confident	90.1	Very high	72 Å²	72	42.8 Å²	42.8	32%	0.316	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-40.5	-179.8	177	-112.1	0	0	0	113	M508 Q509 Y558	F505-M508 PolarHBondContact O-N 3.01Å; F505-Q509 HydrophobicContact CE1-CG 4.33Å; F505-Q509 HydrophobicContact CE2-CG 4.38Å; F505-Q509 HydrophobicContact CZ-CG 4.21Å; F505-Q509 WeakPolarHBondContact O-CG 3.3Å; F505-Q509 PolarHBondContact O-N 2.9Å; F505-Y558 AromaticContact CD2-CZ 3.91Å; F505-Y558 WeakPolarHBondContact CD2-OH 3.38Å; F505-Y558 HydrophobicContact CE2-CE1 4.24Å; F505-Y558 AromaticContact CE2-CZ 3.77Å; F505-Y558 WeakPolarHBondContact CE2-OH 3.38Å
506	E	87.7	Confident	90	Very high	117 Å²	117	47.2 Å²	47.2	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-43	-178.1	-64.5	167.7	173.2	0	0	110.7	Y479 D504 Q509 L510	Y479-E506 HydrophobicContact CD2-CB 4.03Å; Y479-E506 HydrophobicContact CE2-CB 4.12Å; D504-E506 VanDerWaalsContact C-N 3.3Å; D504-E506 PolarHBondContact O-N 2.94Å; D504-E506 PolarHBondContact OD1-N 3.42Å; E506-Q509 PolarHBondContact O-N 3.21Å; E506-L510 PolarHBondContact O-N 3.15Å
507	C	90.1	Very high	89.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-43	172.6	-174.5	0	0	0	0	111.7	F482 V503 D504 Q509 L510 I511	F482-C507 VanDerWaalsContact CD2-SG 3.56Å; V503-C507 HydrophobicContact CB-CB 4.42Å; D504-C507 PolarHBondContact O-N 2.77Å; D504-C507 WeakPolarHBondContact OD1-CB 3.48Å; D504-C507 PolarHBondContact OD1-N 3.21Å; C507-Q509 VanDerWaalsContact C-N 3.3Å; C507-Q509 PolarHBondContact O-N 3.47Å; C507-L510 WeakPolarHBondContact O-CB 3.45Å; C507-L510 PolarHBondContact O-N 2.83Å; C507-L510 VanDerWaalsContact O-N 3.1Å; C507-I511 WeakPolarHBondContact O-CG1 3.38Å; C507-I511 PolarHBondContact O-N 3.34Å
508	M	89.1	Confident	89.8	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-36.3	177.5	-79.4	-56.6	-48.7	0	0	113	V503 D504 F505 L510 I511 E512 H525 Q528	V503-M508 HydrophobicContact CB-CG 4.34Å; V503-M508 HydrophobicContact CB-SD 4.31Å; V503-M508 HydrophobicContact CG2-CG 3.82Å; V503-M508 HydrophobicContact CG2-SD 3.55Å; V503-M508 VanDerWaalsContact CG2-SD 3.55Å; D504-M508 WeakPolarHBondContact O-CG 3.48Å; D504-M508 PolarHBondContact O-N 3.38Å; F505-M508 PolarHBondContact O-N 3.01Å; M508-L510 VanDerWaalsContact C-N 3.3Å; M508-L510 PolarHBondContact O-N 3.18Å; M508-I511 HydrophobicContact CE-CG2 4.38Å; M508-I511 PolarHBondContact O-N 2.99Å; M508-I511 HydrophobicContact SD-CD1 3.89Å; M508-E512 HydrophobicContact CE-CG 4.4Å; M508-E512 WeakPolarHBondContact O-CB 3.43Å; M508-E512 WeakPolarHBondContact O-CG 3.47Å; M508-E512 PolarHBondContact O-N 3.28Å; M508-H525 PolarHBondContact SD-NE2 3.4Å; M508-H525 VanDerWaalsContact SD-NE2 3.41Å; M508-Q528 HydrophobicContact CG-CG 4.04Å; M508-Q528 HydrophobicContact SD-CG 4.08Å; M508-Q528 PolarHBondContact SD-NE2 3.39Å; M508-Q528 VanDerWaalsContact SD-NE2 3.35Å
509	Q	90.5	Very high	89.7	Confident	105 Å²	105	58.4 Å²	58.4	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-40	173.6	-72.8	-178.3	-18.8	0	0	112.2	F505 E506 C507 S513	F505-Q509 HydrophobicContact CE1-CG 4.33Å; F505-Q509 HydrophobicContact CE2-CG 4.38Å; F505-Q509 HydrophobicContact CZ-CG 4.21Å; F505-Q509 WeakPolarHBondContact O-CG 3.3Å; F505-Q509 PolarHBondContact O-N 2.9Å; E506-Q509 PolarHBondContact O-N 3.21Å; C507-Q509 VanDerWaalsContact C-N 3.3Å; C507-Q509 PolarHBondContact O-N 3.47Å; Q509-S513 WeakPolarHBondContact O-CB 3.39Å; Q509-S513 PolarHBondContact O-N 3.01Å
510	L	94.9	Very high	90	Very high	30 Å²	30	60.3 Å²	60.3	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-44	175.2	-62.3	179.8	0	0	0	111.3	Y479 F482 K483 T486 E506 C507 M508 E512 S513 L514	Y479-L510 HydrophobicContact CD2-CD1 3.55Å; Y479-L510 HydrophobicContact CD2-CG 4.36Å; Y479-L510 HydrophobicContact CE2-CD1 3.61Å; Y479-L510 HydrophobicContact CE2-CG 4.2Å; Y479-L510 HydrophobicContact CG-CD1 4.16Å; F482-L510 HydrophobicContact CB-CB 4Å; F482-L510 HydrophobicContact CB-CD1 4Å; K483-L510 HydrophobicContact CB-CD1 4.21Å; T486-L510 HydrophobicContact CG2-CD2 4.27Å; E506-L510 PolarHBondContact O-N 3.15Å; C507-L510 WeakPolarHBondContact O-CB 3.45Å; C507-L510 PolarHBondContact O-N 2.83Å; C507-L510 VanDerWaalsContact O-N 3.1Å; M508-L510 VanDerWaalsContact C-N 3.3Å; M508-L510 PolarHBondContact O-N 3.18Å; L510-E512 PolarHBondContact O-N 3.49Å; L510-S513 WeakPolarHBondContact O-CB 3.48Å; L510-S513 PolarHBondContact O-N 3.23Å; L510-L514 WeakPolarHBondContact O-CG 3.36Å; L510-L514 PolarHBondContact O-N 3.31Å
511	I	92.5	Very high	90.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-47.8	177.2	-68.9	170	0	0	0	110.9	F482 V503 C507 M508 S513 L514 K515 I523	F482-I511 HydrophobicContact CD1-CG1 4.39Å; F482-I511 HydrophobicContact CD2-CD1 4.26Å; F482-I511 HydrophobicContact CD2-CG1 3.9Å; F482-I511 HydrophobicContact CE1-CG1 4.06Å; F482-I511 HydrophobicContact CE2-CD1 3.59Å; F482-I511 HydrophobicContact CE2-CG1 3.53Å; F482-I511 HydrophobicContact CG-CG1 4.28Å; F482-I511 HydrophobicContact CZ-CD1 3.85Å; F482-I511 HydrophobicContact CZ-CG1 3.56Å; V503-I511 HydrophobicContact CG1-CD1 4.24Å; C507-I511 WeakPolarHBondContact O-CG1 3.38Å; C507-I511 PolarHBondContact O-N 3.34Å; M508-I511 HydrophobicContact CE-CG2 4.38Å; M508-I511 PolarHBondContact O-N 2.99Å; M508-I511 HydrophobicContact SD-CD1 3.89Å; I511-S513 VanDerWaalsContact C-N 3.33Å; I511-S513 PolarHBondContact O-N 2.94Å; I511-L514 PolarHBondContact O-N 2.89Å; I511-K515 HydrophobicContact CG2-CD 4.24Å; I511-K515 WeakPolarHBondContact O-CG 3.16Å; I511-K515 PolarHBondContact O-N 3.24Å; I511-I523 HydrophobicContact CD1-CG2 4.46Å; I511-I523 HydrophobicContact CG2-CB 4.28Å; I511-I523 HydrophobicContact CG2-CD1 3.96Å; I511-I523 HydrophobicContact CG2-CG2 4.17Å
512	E	91.5	Very high	90.7	Very high	85 Å²	85	57.7 Å²	57.7	40%	0.397	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-36.6	178.3	-73.4	-58.4	139.8	0	0	112.3	M508 L510 K516	M508-E512 HydrophobicContact CE-CG 4.4Å; M508-E512 WeakPolarHBondContact O-CB 3.43Å; M508-E512 WeakPolarHBondContact O-CG 3.47Å; M508-E512 PolarHBondContact O-N 3.28Å; L510-E512 PolarHBondContact O-N 3.49Å; E512-K516 VanDerWaalsContact O-CG 3.31Å; E512-K516 WeakPolarHBondContact O-CG 3.49Å; E512-K516 PolarHBondContact O-N 3.16Å
513	S	94.9	Very high	91.3	Very high	58 Å²	58	57.8 Å²	57.8	41%	0.406	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-43.2	171.9	-171.8	0	0	0	0	111.4	Q509 L510 I511 K516 T517	Q509-S513 WeakPolarHBondContact O-CB 3.39Å; Q509-S513 PolarHBondContact O-N 3.01Å; L510-S513 WeakPolarHBondContact O-CB 3.48Å; L510-S513 PolarHBondContact O-N 3.23Å; I511-S513 VanDerWaalsContact C-N 3.33Å; I511-S513 PolarHBondContact O-N 2.94Å; S513-K516 PolarHBondContact O-N 3.02Å; S513-T517 PolarHBondContact O-N 3.39Å; S513-T517 PolarHBondContact O-OG1 3.33Å; S513-T517 VanDerWaalsContact O-OG1 3.1Å
514	L	94.9	Very high	91.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-43.7	179.1	-75.5	170.9	0	0	0	112.3	F482 I485 T486 L510 I511 K516 T517 F518 L521 I523	F482-L514 HydrophobicContact CB-CD1 4.28Å; F482-L514 HydrophobicContact CD1-CD1 3.41Å; F482-L514 VanDerWaalsContact CD1-CD1 3.41Å; F482-L514 HydrophobicContact CE1-CD1 4.09Å; F482-L514 HydrophobicContact CG-CD1 4.23Å; I485-L514 HydrophobicContact CB-CD1 4.2Å; I485-L514 HydrophobicContact CB-CD2 4.47Å; I485-L514 HydrophobicContact CG2-CD1 3.98Å; I485-L514 HydrophobicContact CG2-CD2 3.81Å; T486-L514 HydrophobicContact CG2-CD1 4.07Å; T486-L514 HydrophobicContact CG2-CD2 3.64Å; T486-L514 HydrophobicContact CG2-CG 3.66Å; L510-L514 WeakPolarHBondContact O-CG 3.36Å; L510-L514 PolarHBondContact O-N 3.31Å; I511-L514 PolarHBondContact O-N 2.89Å; L514-K516 PolarHBondContact O-N 2.77Å; L514-T517 PolarHBondContact O-N 3.36Å; L514-F518 HydrophobicContact CD2-CD2 4.01Å; L514-F518 HydrophobicContact CD2-CE2 3.9Å; L514-F518 PolarHBondContact O-N 2.96Å; L514-L521 HydrophobicContact CB-CD2 4.26Å; L514-I523 HydrophobicContact CB-CD1 4.37Å
515	K	92.9	Very high	91.6	Very high	68 Å²	68	60.6 Å²	60.6	30%	0.296	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-31.8	176.5	-73	179.3	178	177.5	0	112.6	I511 F518 I523	I511-K515 HydrophobicContact CG2-CD 4.24Å; I511-K515 WeakPolarHBondContact O-CG 3.16Å; I511-K515 PolarHBondContact O-N 3.24Å; K515-F518 CarbonylContact O-C 3.59Å; K515-I523 HydrophobicContact CG-CD1 4.46Å; K515-I523 PolarHBondContact NZ-O 2.79Å
516	K	93.7	Very high	91.4	Very high	161 Å²	161	57.5 Å²	57.5	70%	0.7	30%	0.299	S	S	*	.	H	α-helix	trans	-72.2	-41.1	173.5	-72.9	171.9	-174.6	174	0	112.4	E512 S513 L514	E512-K516 VanDerWaalsContact O-CG 3.31Å; E512-K516 WeakPolarHBondContact O-CG 3.49Å; E512-K516 PolarHBondContact O-N 3.16Å; S513-K516 PolarHBondContact O-N 3.02Å; L514-K516 PolarHBondContact O-N 2.77Å
517	T	94.6	Very high	90.9	Very high	92 Å²	92	54.5 Å²	54.5	56%	0.564	29%	0.29	S	S	*	.	H	α-helix	trans	-73	-40.3	179	-57.8	0	0	0	0	111.9	S513 L514	S513-T517 PolarHBondContact O-N 3.39Å; S513-T517 PolarHBondContact O-OG1 3.33Å; S513-T517 VanDerWaalsContact O-OG1 3.1Å; L514-T517 PolarHBondContact O-N 3.36Å
518	F	94	Very high	90.3	Very high	29 Å²	29	58.4 Å²	58.4	13%	0.127	31%	0.308	C	S	.	.			trans	-120	87	-177	-56	-65.3	0	0	0	109.9	C488 L491 L514 K515 E520 L521	C488-F518 HydrophobicContact CB-CZ 4.32Å; C488-F518 WeakPolarHBondContact O-CZ 3.5Å; L491-F518 HydrophobicContact CB-CD1 3.93Å; L491-F518 HydrophobicContact CB-CD2 4.33Å; L491-F518 HydrophobicContact CB-CE1 3.82Å; L491-F518 HydrophobicContact CB-CE2 4.22Å; L491-F518 HydrophobicContact CB-CG 4.19Å; L491-F518 HydrophobicContact CB-CZ 3.96Å; L491-F518 HydrophobicContact CD2-CD2 4.1Å; L491-F518 HydrophobicContact CD2-CE2 4.34Å; L491-F518 HydrophobicContact CD2-CG 4.42Å; L514-F518 HydrophobicContact CD2-CD2 4.01Å; L514-F518 HydrophobicContact CD2-CE2 3.9Å; L514-F518 PolarHBondContact O-N 2.96Å; K515-F518 CarbonylContact O-C 3.59Å; F518-E520 PolarHBondContact O-N 2.9Å; F518-L521 HydrophobicContact CB-CB 3.78Å; F518-L521 HydrophobicContact CB-CD2 4.36Å; F518-L521 HydrophobicContact CD2-CD2 4.47Å; F518-L521 VanDerWaalsContact O-CB 3.26Å; F518-L521 WeakPolarHBondContact O-CB 3.34Å; F518-L521 PolarHBondContact O-N 3.3Å
519	T	91.8	Very high	89.3	Confident	130 Å²	130	59.2 Å²	59.2	80%	0.798	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.5	-172.7	55.1	0	0	0	0	114.6
520	E	92.7	Very high	87.9	Confident	138 Å²	138	55.8 Å²	55.8	65%	0.645	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.4	173.8	-67.3	-169.8	-166.9	0	0	113.4	K494 F518 C522	K494-E520 IonicContact NZ-OE2 3.71Å; K494-E520 PolarHBondContact NZ-OE2 2.82Å; F518-E520 PolarHBondContact O-N 2.9Å; E520-C522 PolarHBondContact O-N 2.84Å
521	L	94.9	Very high	85.9	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	33%	0.329	C	S	.	.			trans	-80.1	112.3	-176.9	-178.9	66.8	0	0	0	110.8	L491 L493 I496 L514 F518 I523	L491-L521 HydrophobicContact CD2-CD1 4.04Å; L491-L521 HydrophobicContact CD2-CD2 3.83Å; L491-L521 HydrophobicContact CD2-CG 4.47Å; L493-L521 WeakPolarHBondContact O-CD1 3.43Å; I496-L521 HydrophobicContact CD1-CD1 4.15Å; I496-L521 HydrophobicContact CG1-CD1 4.13Å; L514-L521 HydrophobicContact CB-CD2 4.26Å; F518-L521 HydrophobicContact CB-CB 3.78Å; F518-L521 HydrophobicContact CB-CD2 4.36Å; F518-L521 HydrophobicContact CD2-CD2 4.47Å; F518-L521 VanDerWaalsContact O-CB 3.26Å; F518-L521 WeakPolarHBondContact O-CB 3.34Å; F518-L521 PolarHBondContact O-N 3.3Å; L521-I523 HydrophobicContact CD2-CD1 3.78Å; L521-I523 HydrophobicContact CD2-CG1 4.07Å; L521-I523 HydrophobicContact CG-CD1 4.21Å; L521-I523 HydrophobicContact CG-CG1 3.93Å
522	C	93.1	Very high	83.8	Confident	63 Å²	63	64 Å²	64	43%	0.426	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127	168.8	-169.4	0	0	0	0	110.1	K494 Q495 I496 E520	K494-C522 PolarHBondContact O-N 2.82Å; Q495-C522 CarbonylContact C-O 3.45Å; Q495-C522 VanDerWaalsContact CA-O 3.32Å; Q495-C522 WeakPolarHBondContact CA-O 3.31Å; I496-C522 PolarHBondContact N-O 3.32Å; E520-C522 PolarHBondContact O-N 2.84Å
523	I	93.3	Very high	81.9	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.6	174.5	-58.5	171	0	0	0	107.7	F482 I496 M498 I511 L514 K515 L521	F482-I523 HydrophobicContact CE1-CD1 3.81Å; F482-I523 HydrophobicContact CE1-CG2 4.34Å; F482-I523 HydrophobicContact CZ-CD1 4.31Å; F482-I523 HydrophobicContact CZ-CG2 3.84Å; I496-I523 HydrophobicContact CB-CG1 4.41Å; I496-I523 HydrophobicContact CD1-CG1 4.45Å; I496-I523 WeakPolarHBondContact O-CA 3.42Å; M498-I523 HydrophobicContact CE-CG2 3.5Å; M498-I523 VanDerWaalsContact CE-CG2 3.5Å; I511-I523 HydrophobicContact CD1-CG2 4.46Å; I511-I523 HydrophobicContact CG2-CB 4.28Å; I511-I523 HydrophobicContact CG2-CD1 3.96Å; I511-I523 HydrophobicContact CG2-CG2 4.17Å; L514-I523 HydrophobicContact CB-CD1 4.37Å; K515-I523 HydrophobicContact CG-CD1 4.46Å; K515-I523 PolarHBondContact NZ-O 2.79Å; L521-I523 HydrophobicContact CD2-CD1 3.78Å; L521-I523 HydrophobicContact CD2-CG1 4.07Å; L521-I523 HydrophobicContact CG-CD1 4.21Å; L521-I523 HydrophobicContact CG-CG1 3.93Å
524	T	88.2	Confident	80	Confident	41 Å²	41	62 Å²	62	25%	0.252	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.1	166.7	64.1	0	0	0	0	109	I496 M497 M498	I496-T524 PolarHBondContact O-N 2.71Å; M497-T524 WeakPolarHBondContact CA-OG1 3.38Å; M497-T524 WeakPolarHBondContact CG-OG1 3.5Å; M498-T524 PolarHBondContact N-O 3.26Å
525	H	87.1	Confident	78	Confident	47 Å²	47	66.4 Å²	66.4	22%	0.218	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.5	-177.9	58.5	72.3	0	0	0	109.1	M498 V503 M508	M498-H525 CarbonylContact O-C 3.57Å; M498-H525 WeakPolarHBondContact O-CA 3.46Å; V503-H525 HydrophobicContact CG1-CB 3.88Å; V503-H525 HydrophobicContact CG2-CB 4.45Å; V503-H525 WeakPolarHBondContact CG2-ND1 3.09Å; M508-H525 PolarHBondContact SD-NE2 3.4Å; M508-H525 VanDerWaalsContact SD-NE2 3.41Å
526	G	77.8	Confident	76.2	Confident	8 Å²	8	68.9 Å²	68.9	8%	0.082	39%	0.389	C	S	.	.	S	Bend	trans	-68.6	-168.7	171	0	0	0	0	0	112.8	M498 I501	M498-G526 PolarHBondContact O-N 3.03Å; I501-G526 WeakPolarHBondContact O-CA 3.14Å; I501-G526 PolarHBondContact O-N 3.41Å
527	P	75.9	Confident	74.1	Confident	53 Å²	53	63.2 Å²	63.2	34%	0.344	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-63.3	147.8	-174.3	23.6	-33.8	0	0	0	113.8	P502 V503 V538	P502-P527 CarbonylContact C-O 3.45Å; P502-P527 WeakPolarHBondContact CA-O 3.41Å; V503-P527 PolarHBondContact N-O 2.93Å; P527-V538 HydrophobicContact CB-CG1 3.26Å; P527-V538 HydrophobicContact CG-CB 4.46Å; P527-V538 HydrophobicContact CG-CG1 3.01Å
528	Q	77.4	Confident	72	Confident	83 Å²	83	60.5 Å²	60.5	39%	0.388	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-81.7	124.9	177.6	-62.1	-178.4	-2.1	0	0	111	V503 M508	V503-Q528 HydrophobicContact CG2-CB 4.36Å; V503-Q528 HydrophobicContact CG2-CG 3.78Å; V503-Q528 CarbonylContact O-C 3.48Å; V503-Q528 VanDerWaalsContact O-CA 3.26Å; V503-Q528 WeakPolarHBondContact O-CA 3.35Å; M508-Q528 HydrophobicContact CG-CG 4.04Å; M508-Q528 HydrophobicContact SD-CG 4.08Å; M508-Q528 PolarHBondContact SD-NE2 3.39Å; M508-Q528 VanDerWaalsContact SD-NE2 3.35Å
529	L	69	Low	69.7	Low	33 Å²	33	65.2 Å²	65.2	17%	0.173	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-76.8	128.3	171.3	-55.6	-170.9	0	0	0	109.6	T475 P502 V503 V538	T475-L529 HydrophobicContact CG2-CD1 3.52Å; T475-L529 HydrophobicContact CG2-CG 4.25Å; P502-L529 HydrophobicContact CB-CD1 4.28Å; P502-L529 HydrophobicContact CB-CD2 3.71Å; P502-L529 HydrophobicContact CB-CG 3.88Å; V503-L529 PolarHBondContact O-N 3.2Å; L529-V538 HydrophobicContact CD2-CB 4.26Å; L529-V538 HydrophobicContact CD2-CG2 3.65Å
530	I	60.1	Low	67.4	Low	34 Å²	34	61.7 Å²	61.7	17%	0.174	35%	0.353	C	S	.	.			trans	-120.7	148.6	-179.1	-62.4	152.7	0	0	0	107.4	G532 N533 G591 N593	I530-G532 PolarHBondContact O-N 2.98Å; I530-G532 VanDerWaalsContact O-N 3.07Å; I530-N533 WeakPolarHBondContact O-CB 3.5Å; I530-N533 PolarHBondContact O-N 3.48Å; I530-G591 WeakPolarHBondContact CD1-O 3.07Å; I530-G591 WeakPolarHBondContact CG1-O 3.36Å; I530-G591 WeakPolarHBondContact CG2-O 3.3Å; I530-N593 HydrophobicContact CD1-CB 3.72Å
531	V	54	Low	64.7	Low	135 Å²	135	65.2 Å²	65.2	82%	0.818	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	117.9	-180	-178.4	0	0	0	0	110.6
532	G	47.8	Very low	62	Low	67 Å²	67	67.1 Å²	67.1	69%	0.691	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.7	-15.6	-176.6	0	0	0	0	0	114.9	I530	I530-G532 PolarHBondContact O-N 2.98Å; I530-G532 VanDerWaalsContact O-N 3.07Å
533	N	52.7	Low	59.4	Low	31 Å²	31	64.8 Å²	64.8	17%	0.166	38%	0.377	C	S	.	.			trans	-102.7	124.8	175.2	-65.5	-8.4	0	0	0	110.4	I530 D537 V538	I530-N533 WeakPolarHBondContact O-CB 3.5Å; I530-N533 PolarHBondContact O-N 3.48Å; N533-D537 HydrophobicContact CB-CB 4.22Å; N533-V538 HydrophobicContact CB-CG2 4.2Å
534	T	54	Low	57	Low	71 Å²	71	68.5 Å²	68.5	44%	0.436	40%	0.401	S	S	.	.			trans	-82.1	168.5	165.3	64.5	0	0	0	0	110.6	D536 D537 V538	T534-D536 PolarHBondContact O-N 3.13Å; T534-D537 WeakPolarHBondContact CB-OD2 3.45Å; T534-D537 PolarHBondContact N-OD2 3.44Å; T534-D537 WeakPolarHBondContact O-CB 3.45Å; T534-D537 PolarHBondContact O-N 3.34Å; T534-D537 VanDerWaalsContact O-N 3.12Å; T534-D537 PolarHBondContact OG1-N 2.88Å; T534-D537 PolarHBondContact OG1-OD2 2.77Å; T534-V538 PolarHBondContact O-N 3.36Å
535	Q	53.6	Low	55.4	Low	94 Å²	94	69.6 Å²	69.6	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-57.7	-34.5	173	-176.3	168.8	-3.6	0	0	111.9	P502 V538 Q539	P502-Q535 HydrophobicContact CG-CG 4.26Å; Q535-V538 PolarHBondContact O-N 3.44Å; Q535-Q539 PolarHBondContact O-N 3.3Å
536	D	55.2	Low	54.1	Low	120 Å²	120	69.6 Å²	69.6	64%	0.642	41%	0.405	S	S	*	.	H	α-helix	trans	-67.8	-37	176.3	-60.3	-29.2	0	0	0	111.8	T534 V538 Q539 S540	T534-D536 PolarHBondContact O-N 3.13Å; D536-V538 PolarHBondContact O-N 3Å; D536-Q539 PolarHBondContact O-N 2.81Å; D536-S540 PolarHBondContact O-N 3Å; D536-S540 VanDerWaalsContact O-N 3.14Å; D536-S540 PolarHBondContact O-OG 3.15Å; D536-S540 VanDerWaalsContact O-OG 3.07Å
537	D	48.5	Very low	53.7	Low	42 Å²	42	73 Å²	73	23%	0.225	42%	0.422	C	S	.	.	H	α-helix	trans	-68.1	-15.4	176	-59.1	-41.3	0	0	0	112.3	N533 T534 S540 G543	N533-D537 HydrophobicContact CB-CB 4.22Å; T534-D537 WeakPolarHBondContact CB-OD2 3.45Å; T534-D537 PolarHBondContact N-OD2 3.44Å; T534-D537 WeakPolarHBondContact O-CB 3.45Å; T534-D537 PolarHBondContact O-N 3.34Å; T534-D537 VanDerWaalsContact O-N 3.12Å; T534-D537 PolarHBondContact OG1-N 2.88Å; T534-D537 PolarHBondContact OG1-OD2 2.77Å; D537-S540 PolarHBondContact O-OG 3.06Å; D537-G543 CarbonylContact O-C 3.57Å; D537-G543 WeakPolarHBondContact O-CA 3.31Å
538	V	50.6	Low	53.9	Low	35 Å²	35	70.7 Å²	70.7	21%	0.212	41%	0.406	C	S	.	.	H	α-helix	trans	-99	-28	-179.6	173.5	0	0	0	0	111.9	P527 L529 N533 T534 Q535 D536	P527-V538 HydrophobicContact CB-CG1 3.26Å; P527-V538 HydrophobicContact CG-CB 4.46Å; P527-V538 HydrophobicContact CG-CG1 3.01Å; L529-V538 HydrophobicContact CD2-CB 4.26Å; L529-V538 HydrophobicContact CD2-CG2 3.65Å; N533-V538 HydrophobicContact CB-CG2 4.2Å; T534-V538 PolarHBondContact O-N 3.36Å; Q535-V538 PolarHBondContact O-N 3.44Å; D536-V538 PolarHBondContact O-N 3Å
539	Q	46.2	Very low	53.9	Low	128 Å²	128	67 Å²	67	60%	0.598	39%	0.39	S	S	*	.	H	α-helix	trans	-88	-13	177.5	-68.2	-174.3	-8.7	0	0	114	Q535 D536	Q535-Q539 PolarHBondContact O-N 3.3Å; D536-Q539 PolarHBondContact O-N 2.81Å
540	S	43	Very low	54.2	Low	56 Å²	56	71.3 Å²	71.3	39%	0.392	41%	0.407	S	S	.	.	S	Bend	trans	-72.4	128.5	174.8	42.2	0	0	0	0	111	D536 D537 G542 G543	D536-S540 PolarHBondContact O-N 3Å; D536-S540 VanDerWaalsContact O-N 3.14Å; D536-S540 PolarHBondContact O-OG 3.15Å; D536-S540 VanDerWaalsContact O-OG 3.07Å; D537-S540 PolarHBondContact O-OG 3.06Å; S540-G542 VanDerWaalsContact C-N 3.27Å; S540-G542 PolarHBondContact O-N 3.3Å; S540-G543 PolarHBondContact O-N 3.35Å; S540-G543 WeakPolarHBondContact OG-CA 3.41Å; S540-G543 PolarHBondContact OG-N 3.49Å
541	E	36.4	Very low	54.9	Low	212 Å²	212	69.8 Å²	69.8	99%	0.991	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	93.8	161.3	-79.5	-172.9	160	0	0	107.9
542	G	37.3	Very low	56	Low	50 Å²	50	63.4 Å²	63.4	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.5	14.6	-168.2	0	0	0	0	0	115.2	S540 T544	S540-G542 VanDerWaalsContact C-N 3.27Å; S540-G542 PolarHBondContact O-N 3.3Å; G542-T544 PolarHBondContact O-N 3.3Å
543	G	38.3	Very low	57.2	Low	13 Å²	13	65.3 Å²	65.3	13%	0.134	35%	0.35	C	S	.	.			trans	-35.9	121.7	174.3	0	0	0	0	0	112.9	D537 S540 F545	D537-G543 CarbonylContact O-C 3.57Å; D537-G543 WeakPolarHBondContact O-CA 3.31Å; S540-G543 PolarHBondContact O-N 3.35Å; S540-G543 WeakPolarHBondContact OG-CA 3.41Å; S540-G543 PolarHBondContact OG-N 3.49Å; G543-F545 VanDerWaalsContact C-N 3.3Å; G543-F545 WeakPolarHBondContact O-CD2 3.27Å; G543-F545 VanDerWaalsContact O-CE2 3.24Å; G543-F545 WeakPolarHBondContact O-CE2 3.1Å; G543-F545 PolarHBondContact O-N 2.9Å
544	T	43.7	Very low	57.7	Low	86 Å²	86	64.7 Å²	64.7	53%	0.528	35%	0.347	S	S	.	.			trans	-59.3	90.4	-160.2	31.2	0	0	0	0	111.3	G542 V546	G542-T544 PolarHBondContact O-N 3.3Å; T544-V546 PolarHBondContact O-N 3.31Å
545	F	54.9	Low	57.9	Low	63 Å²	63	68.8 Å²	68.8	28%	0.276	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-60.5	128.7	171.3	-67.9	-87.5	0	0	0	107.7	G543 D547 K595 Q598	G543-F545 VanDerWaalsContact C-N 3.3Å; G543-F545 WeakPolarHBondContact O-CD2 3.27Å; G543-F545 VanDerWaalsContact O-CE2 3.24Å; G543-F545 WeakPolarHBondContact O-CE2 3.1Å; G543-F545 PolarHBondContact O-N 2.9Å; F545-D547 PolarHBondContact O-N 3.45Å; F545-K595 HydrophobicContact CD1-CG 4.05Å; F545-K595 HydrophobicContact CD2-CD 4.14Å; F545-K595 HydrophobicContact CD2-CG 4.3Å; F545-K595 HydrophobicContact CE1-CB 4.4Å; F545-K595 HydrophobicContact CE1-CD 4.31Å; F545-K595 HydrophobicContact CE1-CG 3.52Å; F545-K595 HydrophobicContact CE2-CD 3.67Å; F545-K595 HydrophobicContact CE2-CG 3.82Å; F545-K595 HydrophobicContact CG-CG 4.43Å; F545-K595 HydrophobicContact CZ-CD 3.77Å; F545-K595 HydrophobicContact CZ-CG 3.41Å; F545-K595 VanDerWaalsContact CZ-CG 3.41Å; F545-Q598 VanDerWaalsContact CB-CD 3.4Å; F545-Q598 VanDerWaalsContact CG-OE1 3.23Å
546	V	60.4	Low	58.3	Low	48 Å²	48	66.8 Å²	66.8	29%	0.291	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.5	128.3	173.8	-172.6	0	0	0	0	107.4	T544 L548 F550 L551 Q598	T544-V546 PolarHBondContact O-N 3.31Å; V546-L548 PolarHBondContact O-N 2.94Å; V546-F550 HydrophobicContact CG1-CD1 4.03Å; V546-L551 HydrophobicContact CB-CD1 3.63Å; V546-L551 HydrophobicContact CB-CG 4.24Å; V546-L551 HydrophobicContact CG1-CD1 3.48Å; V546-L551 VanDerWaalsContact CG1-CD1 3.48Å; V546-L551 HydrophobicContact CG1-CG 3.56Å; V546-Q598 PolarHBondContact O-NE2 3.06Å
547	D	69.1	Low	58.6	Low	80 Å²	80	66.3 Å²	66.3	43%	0.428	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-56.5	118.1	171.3	179.8	-11.6	0	0	0	107.5	F545 L549 F550 L551	F545-D547 PolarHBondContact O-N 3.45Å; D547-L549 PolarHBondContact O-N 3.35Å; D547-L549 VanDerWaalsContact O-N 3.13Å; D547-L549 WeakPolarHBondContact OD1-CB 3.48Å; D547-L549 WeakPolarHBondContact OD1-CD1 3.46Å; D547-L549 PolarHBondContact OD1-N 2.99Å; D547-F550 HydrophobicContact CB-CB 3.91Å; D547-F550 CarbonylContact O-C 3.46Å; D547-F550 WeakPolarHBondContact O-CA 3.24Å; D547-F550 VanDerWaalsContact O-CB 3.27Å; D547-F550 WeakPolarHBondContact O-CB 3.47Å; D547-F550 PolarHBondContact O-N 3.23Å; D547-L551 PolarHBondContact O-N 3.22Å
548	L	79.7	Confident	58.8	Low	3 Å²	3	66.3 Å²	66.3	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-23.4	-176.8	-58.1	178.8	0	0	0	111.7	V546 L551 L552 F583 L587 Q598 V599 L602	V546-L548 PolarHBondContact O-N 2.94Å; L548-L551 HydrophobicContact CD2-CD1 3.82Å; L548-L551 WeakPolarHBondContact O-CB 3.29Å; L548-L552 PolarHBondContact O-N 3.31Å; L548-L552 VanDerWaalsContact O-N 3.12Å; L548-F583 HydrophobicContact CB-CE1 4.48Å; L548-F583 HydrophobicContact CB-CZ 4.47Å; L548-F583 HydrophobicContact CD1-CE1 4.21Å; L548-L587 HydrophobicContact CD2-CD1 4.12Å; L548-L587 HydrophobicContact CD2-CD2 3.91Å; L548-Q598 HydrophobicContact CD1-CB 3.73Å; L548-Q598 HydrophobicContact CG-CB 4.21Å; L548-V599 HydrophobicContact CD1-CB 4.4Å; L548-V599 HydrophobicContact CD1-CG2 3.81Å; L548-L602 HydrophobicContact CB-CB 4.39Å; L548-L602 HydrophobicContact CB-CD1 4.2Å; L548-L602 HydrophobicContact CB-CD2 3.83Å; L548-L602 HydrophobicContact CB-CG 4.36Å; L548-L602 HydrophobicContact CD1-CB 4.34Å; L548-L602 HydrophobicContact CD1-CD2 4.29Å
549	L	77.9	Confident	58.9	Low	7 Å²	7	69.8 Å²	69.8	4%	0.037	37%	0.368	C	S	.	.	H	α-helix	trans	-75.1	-32.7	170	-74.2	95.8	0	0	0	112.8	D547 L551 L552 K553 L602 Y619	D547-L549 PolarHBondContact O-N 3.35Å; D547-L549 VanDerWaalsContact O-N 3.13Å; D547-L549 WeakPolarHBondContact OD1-CB 3.48Å; D547-L549 WeakPolarHBondContact OD1-CD1 3.46Å; D547-L549 PolarHBondContact OD1-N 2.99Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L552 PolarHBondContact O-N 2.89Å; L549-K553 WeakPolarHBondContact O-CG 3.4Å; L549-K553 PolarHBondContact O-N 3.15Å; L549-K553 VanDerWaalsContact O-N 3.1Å; L549-L602 HydrophobicContact CB-CD1 4.42Å; L549-L602 HydrophobicContact CD1-CD1 3.37Å; L549-L602 HydrophobicContact CD2-CD1 4.46Å; L549-L602 HydrophobicContact CG-CD1 3.44Å; L549-L602 VanDerWaalsContact CG-CD1 3.44Å; L549-Y619 HydrophobicContact CB-CE1 4.49Å; L549-Y619 HydrophobicContact CD2-CE1 4.23Å; L549-Y619 HydrophobicContact CD2-CE2 3.66Å; L549-Y619 VanDerWaalsContact CD2-CZ 3.46Å; L549-Y619 WeakPolarHBondContact CD2-OH 3.49Å
550	F	73.8	Confident	59.7	Low	123 Å²	123	67 Å²	67	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-44	170.4	179.7	-95.9	0	0	0	109.5	V546 D547 L552 K553 S554	V546-F550 HydrophobicContact CG1-CD1 4.03Å; D547-F550 HydrophobicContact CB-CB 3.91Å; D547-F550 CarbonylContact O-C 3.46Å; D547-F550 WeakPolarHBondContact O-CA 3.24Å; D547-F550 VanDerWaalsContact O-CB 3.27Å; D547-F550 WeakPolarHBondContact O-CB 3.47Å; D547-F550 PolarHBondContact O-N 3.23Å; F550-L552 VanDerWaalsContact C-N 3.3Å; F550-L552 PolarHBondContact O-N 2.97Å; F550-K553 CarbonylContact O-C 3.46Å; F550-K553 WeakPolarHBondContact O-CA 3.22Å; F550-K553 WeakPolarHBondContact O-CB 3.42Å; F550-K553 PolarHBondContact O-N 2.83Å; F550-S554 WeakPolarHBondContact O-CB 2.83Å; F550-S554 PolarHBondContact O-N 3.28Å; F550-S554 PolarHBondContact O-OG 2.85Å; F550-S554 VanDerWaalsContact O-OG 3.04Å
551	L	75.7	Confident	60.9	Low	2 Å²	2	69.7 Å²	69.7	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-53.6	-45.5	173.4	-92.1	148.1	0	0	0	113	V546 D547 L548 L549 K553 S554 V556 F563 L587 V592	V546-L551 HydrophobicContact CB-CD1 3.63Å; V546-L551 HydrophobicContact CB-CG 4.24Å; V546-L551 HydrophobicContact CG1-CD1 3.48Å; V546-L551 VanDerWaalsContact CG1-CD1 3.48Å; V546-L551 HydrophobicContact CG1-CG 3.56Å; D547-L551 PolarHBondContact O-N 3.22Å; L548-L551 HydrophobicContact CD2-CD1 3.82Å; L548-L551 WeakPolarHBondContact O-CB 3.29Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L551-K553 VanDerWaalsContact C-N 3.32Å; L551-K553 PolarHBondContact O-N 2.93Å; L551-S554 VanDerWaalsContact CA-OG 3.26Å; L551-S554 WeakPolarHBondContact CA-OG 3.41Å; L551-S554 PolarHBondContact O-N 3.01Å; L551-S554 PolarHBondContact O-OG 2.62Å; L551-V556 HydrophobicContact CD2-CB 4.32Å; L551-V556 HydrophobicContact CD2-CG2 4.07Å; L551-F563 HydrophobicContact CB-CD1 4.3Å; L551-F563 HydrophobicContact CB-CE1 4.3Å; L551-L587 HydrophobicContact CD1-CD2 4.47Å; L551-V592 HydrophobicContact CD1-CG1 3.46Å; L551-V592 VanDerWaalsContact CD1-CG1 3.46Å; L551-V592 HydrophobicContact CD1-CG2 4.36Å; L551-V592 HydrophobicContact CD2-CG1 4.39Å; L551-V592 HydrophobicContact CD2-CG2 3.75Å
552	L	77.2	Confident	62.8	Low	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-41.2	174	-79.2	172.2	0	0	0	112.6	L548 L549 F550 F563 L567 F583 L602 L606 F616 Y619 L620	L548-L552 PolarHBondContact O-N 3.31Å; L548-L552 VanDerWaalsContact O-N 3.12Å; L549-L552 PolarHBondContact O-N 2.89Å; F550-L552 VanDerWaalsContact C-N 3.3Å; F550-L552 PolarHBondContact O-N 2.97Å; L552-F563 HydrophobicContact CD2-CD1 4.3Å; L552-F563 HydrophobicContact CD2-CE1 3.93Å; L552-F563 HydrophobicContact CG-CE1 4.26Å; L552-L567 HydrophobicContact CD2-CD1 3.35Å; L552-F583 HydrophobicContact CD2-CE2 4.09Å; L552-F583 HydrophobicContact CG-CE2 4.32Å; L552-L602 HydrophobicContact CD1-CD1 4.02Å; L552-L602 HydrophobicContact CD1-CD2 4.41Å; L552-L606 HydrophobicContact CD1-CD1 3.41Å; L552-L606 VanDerWaalsContact CD1-CD1 3.41Å; L552-F616 HydrophobicContact CD2-CB 3.81Å; L552-Y619 HydrophobicContact CB-CD1 4.39Å; L552-Y619 HydrophobicContact CB-CE1 4.26Å; L552-Y619 HydrophobicContact CD1-CD1 4.33Å; L552-L620 WeakPolarHBondContact O-CD2 3.42Å
553	K	72	Confident	64.9	Low	108 Å²	108	59.2 Å²	59.2	47%	0.47	32%	0.316	S	S	.	.	H	α-helix	trans	-75.7	-31.9	179.3	-77.4	174.2	161.5	172.7	0	113.3	L549 F550 L551 Y619 N623	L549-K553 WeakPolarHBondContact O-CG 3.4Å; L549-K553 PolarHBondContact O-N 3.15Å; L549-K553 VanDerWaalsContact O-N 3.1Å; F550-K553 CarbonylContact O-C 3.46Å; F550-K553 WeakPolarHBondContact O-CA 3.22Å; F550-K553 WeakPolarHBondContact O-CB 3.42Å; F550-K553 PolarHBondContact O-N 2.83Å; L551-K553 VanDerWaalsContact C-N 3.32Å; L551-K553 PolarHBondContact O-N 2.93Å; K553-Y619 HydrophobicContact CD-CE1 4.36Å; K553-Y619 WeakPolarHBondContact CE-OH 3.37Å; K553-Y619 HydrophobicContact CG-CE1 3.97Å; K553-Y619 PolarHBondContact NZ-OH 3.4Å; K553-N623 WeakPolarHBondContact CE-OD1 3.21Å; K553-N623 PolarHBondContact NZ-OD1 3.19Å
554	S	64.9	Low	67	Low	17 Å²	17	59.7 Å²	59.7	12%	0.119	32%	0.317	C	S	.	.	S	Bend	trans	-83.2	144	-170.4	68.1	0	0	0	0	111.1	F550 L551 V556	F550-S554 WeakPolarHBondContact O-CB 2.83Å; F550-S554 PolarHBondContact O-N 3.28Å; F550-S554 PolarHBondContact O-OG 2.85Å; F550-S554 VanDerWaalsContact O-OG 3.04Å; L551-S554 VanDerWaalsContact CA-OG 3.26Å; L551-S554 WeakPolarHBondContact CA-OG 3.41Å; L551-S554 PolarHBondContact O-N 3.01Å; L551-S554 PolarHBondContact O-OG 2.62Å; S554-V556 PolarHBondContact O-N 3.21Å; S554-V556 WeakPolarHBondContact OG-CG2 3.32Å
555	Q	58.4	Low	68.9	Low	157 Å²	157	58.5 Å²	58.5	73%	0.734	31%	0.307	S	S	*	.			trans	-83.7	51.4	170.7	-65.9	-176	-14.6	0	0	110.8	N557 I562	Q555-N557 PolarHBondContact O-N 3.17Å; Q555-I562 HydrophobicContact CB-CG2 4.09Å; Q555-I562 HydrophobicContact CG-CG2 4.29Å
556	V	61.7	Low	70.3	Confident	52 Å²	52	55.8 Å²	55.8	32%	0.315	30%	0.296	S	S	.	.			trans	-59.4	112.5	176.8	171.4	0	0	0	0	107.6	L551 S554 I562 F563 M590	L551-V556 HydrophobicContact CD2-CB 4.32Å; L551-V556 HydrophobicContact CD2-CG2 4.07Å; S554-V556 PolarHBondContact O-N 3.21Å; S554-V556 WeakPolarHBondContact OG-CG2 3.32Å; V556-I562 WeakPolarHBondContact O-CA 3.35Å; V556-F563 PolarHBondContact O-N 3.46Å; V556-M590 HydrophobicContact CB-CE 4.28Å; V556-M590 HydrophobicContact CG1-CE 3.66Å; V556-M590 WeakPolarHBondContact O-CE 3.4Å
557	N	60.1	Low	71.7	Confident	110 Å²	110	53.5 Å²	53.5	59%	0.588	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	109	-176.5	-163.4	-4.4	0	0	0	108	Q555 G560 K561	Q555-N557 PolarHBondContact O-N 3.17Å; N557-G560 WeakPolarHBondContact OD1-CA 3.49Å; N557-K561 WeakPolarHBondContact CA-O 3.14Å; N557-K561 PolarHBondContact OD1-N 3.09Å; N557-K561 VanDerWaalsContact OD1-N 3.16Å
558	Y	52.7	Low	72.6	Confident	42 Å²	42	54.9 Å²	54.9	17%	0.165	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.4	179.9	-168.1	-99.2	0	0	0	108.9	F505 G560 K561 I589 M590	F505-Y558 AromaticContact CD2-CZ 3.91Å; F505-Y558 WeakPolarHBondContact CD2-OH 3.38Å; F505-Y558 HydrophobicContact CE2-CE1 4.24Å; F505-Y558 AromaticContact CE2-CZ 3.77Å; F505-Y558 WeakPolarHBondContact CE2-OH 3.38Å; Y558-G560 PolarHBondContact O-N 2.69Å; Y558-G560 VanDerWaalsContact O-N 3.17Å; Y558-K561 PolarHBondContact N-O 2.7Å; Y558-K561 PolarHBondContact O-N 2.76Å; Y558-I589 WeakPolarHBondContact CE1-O 3.39Å; Y558-M590 WeakPolarHBondContact CD1-O 3.49Å; Y558-M590 HydrophobicContact CG-CE 4.36Å
559	N	53	Low	72.9	Confident	109 Å²	109	60.4 Å²	60.4	58%	0.583	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	36.9	-172.3	-64.5	-29.7	0	0	0	113.6	K561	N559-K561 VanDerWaalsContact C-N 3.28Å; N559-K561 PolarHBondContact O-N 3.31Å
560	G	62.7	Low	73.5	Confident	68 Å²	68	61.2 Å²	61.2	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	9.9	179.8	0	0	0	0	0	115.1	N557 Y558	N557-G560 WeakPolarHBondContact OD1-CA 3.49Å; Y558-G560 PolarHBondContact O-N 2.69Å; Y558-G560 VanDerWaalsContact O-N 3.17Å
561	K	68.2	Low	74.2	Confident	114 Å²	114	56 Å²	56	50%	0.496	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.4	177.5	-62.9	-176.8	-178.3	178.8	0	110.8	N557 Y558 N559 V566	N557-K561 WeakPolarHBondContact CA-O 3.14Å; N557-K561 PolarHBondContact OD1-N 3.09Å; N557-K561 VanDerWaalsContact OD1-N 3.16Å; Y558-K561 PolarHBondContact N-O 2.7Å; Y558-K561 PolarHBondContact O-N 2.76Å; N559-K561 VanDerWaalsContact C-N 3.28Å; N559-K561 PolarHBondContact O-N 3.31Å; K561-V566 HydrophobicContact CB-CG2 3.98Å; K561-V566 HydrophobicContact CD-CG2 4.37Å
562	I	77.3	Confident	74.5	Confident	41 Å²	41	62.6 Å²	62.6	21%	0.21	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.3	173.9	-52.7	175.9	0	0	0	108.6	Q555 V556 T564 D565 V566	Q555-I562 HydrophobicContact CB-CG2 4.09Å; Q555-I562 HydrophobicContact CG-CG2 4.29Å; V556-I562 WeakPolarHBondContact O-CA 3.35Å; I562-T564 WeakPolarHBondContact CG2-OG1 3.26Å; I562-T564 PolarHBondContact O-N 3.26Å; I562-T564 VanDerWaalsContact O-N 3.14Å; I562-D565 HydrophobicContact CB-CB 4.45Å; I562-D565 WeakPolarHBondContact O-CA 3.33Å; I562-D565 WeakPolarHBondContact O-CB 3.46Å; I562-D565 PolarHBondContact O-N 2.87Å; I562-V566 PolarHBondContact O-N 2.76Å
563	F	80.5	Confident	74.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-49.8	-41.4	178.7	-172.3	-112.4	0	0	0	113	L551 L552 V556 D565 V566 L567 F583 A586 L587 M590	L551-F563 HydrophobicContact CB-CD1 4.3Å; L551-F563 HydrophobicContact CB-CE1 4.3Å; L552-F563 HydrophobicContact CD2-CD1 4.3Å; L552-F563 HydrophobicContact CD2-CE1 3.93Å; L552-F563 HydrophobicContact CG-CE1 4.26Å; V556-F563 PolarHBondContact O-N 3.46Å; F563-D565 VanDerWaalsContact C-N 3.28Å; F563-D565 PolarHBondContact O-N 3.47Å; F563-V566 PolarHBondContact O-N 3.2Å; F563-L567 HydrophobicContact CD1-CD1 3.87Å; F563-L567 HydrophobicContact CD1-CG 4.45Å; F563-L567 HydrophobicContact CE1-CD1 3.53Å; F563-L567 HydrophobicContact CE1-CG 4.16Å; F563-L567 HydrophobicContact CZ-CD1 4.1Å; F563-L567 HydrophobicContact CZ-CD2 4.37Å; F563-L567 HydrophobicContact CZ-CG 4.29Å; F563-L567 WeakPolarHBondContact O-CG 3.47Å; F563-L567 PolarHBondContact O-N 3.4Å; F563-F583 AromaticContact CE1-CE2 3.77Å; F563-F583 HydrophobicContact CE1-CE2 3.77Å; F563-F583 AromaticContact CE1-CZ 3.88Å; F563-F583 HydrophobicContact CE1-CZ 3.88Å; F563-F583 HydrophobicContact CZ-CD2 4.45Å; F563-F583 HydrophobicContact CZ-CE1 4.42Å; F563-F583 AromaticContact CZ-CE2 3.73Å; F563-F583 HydrophobicContact CZ-CE2 3.73Å; F563-F583 AromaticContact CZ-CZ 3.7Å; F563-F583 HydrophobicContact CZ-CZ 3.7Å; F563-A586 HydrophobicContact CE2-CB 4.09Å; F563-A586 HydrophobicContact CZ-CB 4.47Å; F563-L587 HydrophobicContact CE2-CD2 3.86Å; F563-L587 HydrophobicContact CZ-CD2 3.8Å; F563-L587 HydrophobicContact CZ-CG 4.48Å; F563-M590 HydrophobicContact CB-CE 4.17Å; F563-M590 HydrophobicContact CB-SD 4.1Å; F563-M590 HydrophobicContact CD2-CB 4.24Å; F563-M590 HydrophobicContact CD2-CE 4.29Å; F563-M590 HydrophobicContact CD2-CG 3.59Å; F563-M590 HydrophobicContact CD2-SD 3.85Å; F563-M590 HydrophobicContact CE2-CG 4.1Å
564	T	82.2	Confident	75.3	Confident	24 Å²	24	71.2 Å²	71.2	15%	0.147	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-34.4	175	53.9	0	0	0	0	113.2	I562 Q568 L620	I562-T564 WeakPolarHBondContact CG2-OG1 3.26Å; I562-T564 PolarHBondContact O-N 3.26Å; I562-T564 VanDerWaalsContact O-N 3.14Å; T564-Q568 WeakPolarHBondContact O-CB 3.46Å; T564-Q568 WeakPolarHBondContact O-CG 3.42Å; T564-Q568 PolarHBondContact O-N 3.18Å; T564-L620 HydrophobicContact CG2-CD1 3.9Å; T564-L620 HydrophobicContact CG2-CD2 4.17Å
565	D	83.7	Confident	76.2	Confident	61 Å²	61	77.9 Å²	77.9	33%	0.326	40%	0.401	S	S	.	.	H	α-helix	trans	-75.5	-35.8	178.9	-58.8	-15.5	0	0	0	110.7	I562 F563 L567 Q568 N569	I562-D565 HydrophobicContact CB-CB 4.45Å; I562-D565 WeakPolarHBondContact O-CA 3.33Å; I562-D565 WeakPolarHBondContact O-CB 3.46Å; I562-D565 PolarHBondContact O-N 2.87Å; F563-D565 VanDerWaalsContact C-N 3.28Å; F563-D565 PolarHBondContact O-N 3.47Å; D565-L567 VanDerWaalsContact C-N 3.35Å; D565-Q568 PolarHBondContact O-N 3.42Å; D565-N569 WeakPolarHBondContact O-CB 3.24Å; D565-N569 PolarHBondContact O-N 3.47Å; D565-N569 PolarHBondContact O-ND2 3.49Å
566	V	85.9	Confident	77.6	Confident	6 Å²	6	70.5 Å²	70.5	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-46.9	172	178.8	0	0	0	0	110.2	K561 I562 F563 N569 M570 A586 I589 M590	K561-V566 HydrophobicContact CB-CG2 3.98Å; K561-V566 HydrophobicContact CD-CG2 4.37Å; I562-V566 PolarHBondContact O-N 2.76Å; F563-V566 PolarHBondContact O-N 3.2Å; V566-N569 PolarHBondContact O-N 3Å; V566-M570 HydrophobicContact CG1-CE 4.09Å; V566-M570 PolarHBondContact O-N 3.29Å; V566-A586 HydrophobicContact CG1-CB 3.8Å; V566-I589 HydrophobicContact CG1-CB 4.41Å; V566-I589 HydrophobicContact CG1-CD1 4.46Å; V566-I589 HydrophobicContact CG1-CG2 4.18Å; V566-M590 HydrophobicContact CB-CG 4.48Å; V566-M590 HydrophobicContact CB-SD 4.31Å; V566-M590 HydrophobicContact CG1-CG 4.45Å; V566-M590 HydrophobicContact CG2-CG 4.15Å; V566-M590 HydrophobicContact CG2-SD 3.6Å; V566-M590 VanDerWaalsContact CG2-SD 3.6Å
567	L	88.6	Confident	79	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-41.8	175.8	-69	175.2	0	0	0	112.6	L552 F563 D565 N569 M570 D571 V578 F583 A586 F616	L552-L567 HydrophobicContact CD2-CD1 3.35Å; F563-L567 HydrophobicContact CD1-CD1 3.87Å; F563-L567 HydrophobicContact CD1-CG 4.45Å; F563-L567 HydrophobicContact CE1-CD1 3.53Å; F563-L567 HydrophobicContact CE1-CG 4.16Å; F563-L567 HydrophobicContact CZ-CD1 4.1Å; F563-L567 HydrophobicContact CZ-CD2 4.37Å; F563-L567 HydrophobicContact CZ-CG 4.29Å; F563-L567 WeakPolarHBondContact O-CG 3.47Å; F563-L567 PolarHBondContact O-N 3.4Å; D565-L567 VanDerWaalsContact C-N 3.35Å; L567-N569 VanDerWaalsContact C-N 3.27Å; L567-N569 PolarHBondContact O-N 2.94Å; L567-M570 PolarHBondContact O-N 2.99Å; L567-M570 VanDerWaalsContact O-N 3.1Å; L567-D571 PolarHBondContact O-N 2.9Å; L567-V578 HydrophobicContact CD2-CG1 4.41Å; L567-V578 HydrophobicContact CD2-CG2 3.98Å; L567-F583 HydrophobicContact CD1-CD2 4.37Å; L567-F583 HydrophobicContact CD1-CE2 4.09Å; L567-F583 HydrophobicContact CD2-CD2 3.71Å; L567-F583 HydrophobicContact CD2-CE2 4.18Å; L567-A586 HydrophobicContact CD2-CB 3.64Å; L567-A586 HydrophobicContact CG-CB 4.39Å; L567-F616 HydrophobicContact CB-CD2 4.49Å; L567-F616 HydrophobicContact CB-CE1 4.4Å; L567-F616 HydrophobicContact CB-CE2 4.19Å; L567-F616 HydrophobicContact CB-CZ 4.14Å; L567-F616 HydrophobicContact CD1-CD2 4.41Å; L567-F616 HydrophobicContact CD1-CG 4.34Å
568	Q	87.8	Confident	80.5	Confident	108 Å²	108	63.4 Å²	63.4	51%	0.505	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-34.4	176.2	-77.2	174.3	33.3	0	0	112.6	T564 D565 M570 D571 F616	T564-Q568 WeakPolarHBondContact O-CB 3.46Å; T564-Q568 WeakPolarHBondContact O-CG 3.42Å; T564-Q568 PolarHBondContact O-N 3.18Å; D565-Q568 PolarHBondContact O-N 3.42Å; Q568-M570 VanDerWaalsContact C-N 3.3Å; Q568-D571 PolarHBondContact O-N 3.2Å; Q568-F616 HydrophobicContact CG-CE2 4.31Å
569	N	86.8	Confident	82.4	Confident	119 Å²	119	63.5 Å²	63.5	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-70.6	-26.3	175.4	-72	-39	0	0	0	112.8	D565 V566 L567	D565-N569 WeakPolarHBondContact O-CB 3.24Å; D565-N569 PolarHBondContact O-N 3.47Å; D565-N569 PolarHBondContact O-ND2 3.49Å; V566-N569 PolarHBondContact O-N 3Å; L567-N569 VanDerWaalsContact C-N 3.27Å; L567-N569 PolarHBondContact O-N 2.94Å
570	M	89.7	Confident	84.1	Confident	25 Å²	25	59.5 Å²	59.5	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-86.3	-20.7	175.9	-66.4	-173.4	180	0	0	113.7	V566 L567 Q568 I572 V578 Q582 E585 A586 I589	V566-M570 HydrophobicContact CG1-CE 4.09Å; V566-M570 PolarHBondContact O-N 3.29Å; L567-M570 PolarHBondContact O-N 2.99Å; L567-M570 VanDerWaalsContact O-N 3.1Å; Q568-M570 VanDerWaalsContact C-N 3.3Å; M570-I572 PolarHBondContact O-N 3.26Å; M570-V578 HydrophobicContact CB-CG1 4.15Å; M570-Q582 HydrophobicContact CB-CB 4.45Å; M570-Q582 PolarHBondContact O-NE2 3.09Å; M570-Q582 HydrophobicContact SD-CB 4.19Å; M570-E585 HydrophobicContact CE-CB 4.1Å; M570-E585 HydrophobicContact CE-CG 3.96Å; M570-E585 HydrophobicContact SD-CB 4.42Å; M570-A586 HydrophobicContact CE-CB 4.04Å; M570-A586 HydrophobicContact SD-CB 3.86Å; M570-I589 HydrophobicContact CE-CD1 3.25Å; M570-I589 HydrophobicContact CE-CG1 4.33Å
571	D	89.3	Confident	85.4	Confident	14 Å²	14	62.6 Å²	62.6	8%	0.075	32%	0.315	C	S	.	.			trans	-76.1	72.3	173.4	179.1	17.1	0	0	0	111.1	L567 Q568 N573 K574 K575 G576 V578 F616	L567-D571 PolarHBondContact O-N 2.9Å; Q568-D571 PolarHBondContact O-N 3.2Å; D571-N573 PolarHBondContact O-N 3.14Å; D571-N573 VanDerWaalsContact O-N 3.08Å; D571-K574 PolarHBondContact O-N 3.37Å; D571-K574 WeakPolarHBondContact OD1-CA 3.31Å; D571-K574 PolarHBondContact OD1-N 3.45Å; D571-K574 VanDerWaalsContact OD2-CA 3.26Å; D571-K574 WeakPolarHBondContact OD2-CA 3.21Å; D571-K575 PolarHBondContact OD1-N 3.21Å; D571-K575 PolarHBondContact OD2-N 2.85Å; D571-G576 VanDerWaalsContact OD2-CA 3.3Å; D571-G576 WeakPolarHBondContact OD2-CA 3.47Å; D571-G576 PolarHBondContact OD2-N 3.33Å; D571-V578 HydrophobicContact CB-CG1 4.39Å; D571-F616 HydrophobicContact CB-CE1 4.38Å; D571-F616 HydrophobicContact CB-CZ 4.27Å
572	I	82.6	Confident	86.5	Confident	139 Å²	139	59.6 Å²	59.6	71%	0.713	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.4	-178	-61.6	165.8	0	0	0	111.7	M570	M570-I572 PolarHBondContact O-N 3.26Å
573	N	82.1	Confident	87.1	Confident	116 Å²	116	57.7 Å²	57.7	62%	0.62	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.4	-176	-64.1	-42.3	0	0	0	113.6	D571 K575	D571-N573 PolarHBondContact O-N 3.14Å; D571-N573 VanDerWaalsContact O-N 3.08Å; N573-K575 HydrophobicContact CB-CD 3.94Å; N573-K575 HydrophobicContact CB-CG 3.8Å; N573-K575 PolarHBondContact O-N 3.24Å; N573-K575 VanDerWaalsContact O-N 3.13Å
574	K	84	Confident	87.5	Confident	174 Å²	174	58.3 Å²	58.3	76%	0.757	30%	0.295	S	S	*	.			trans	52.7	29.6	-176.4	-59.5	-175.6	177.1	-178.8	0	113.7	D571 G576	D571-K574 PolarHBondContact O-N 3.37Å; D571-K574 WeakPolarHBondContact OD1-CA 3.31Å; D571-K574 PolarHBondContact OD1-N 3.45Å; D571-K574 VanDerWaalsContact OD2-CA 3.26Å; D571-K574 WeakPolarHBondContact OD2-CA 3.21Å; K574-G576 VanDerWaalsContact C-N 3.27Å; K574-G576 PolarHBondContact O-N 2.96Å
575	K	83.6	Confident	87.7	Confident	157 Å²	157	62.3 Å²	62.3	68%	0.683	31%	0.313	S	S	*	.	S	Bend	trans	-80.6	-8.7	-176.7	-72.4	-177.8	178.8	-178.8	0	112.9	D571 N573	D571-K575 PolarHBondContact OD1-N 3.21Å; D571-K575 PolarHBondContact OD2-N 2.85Å; N573-K575 HydrophobicContact CB-CD 3.94Å; N573-K575 HydrophobicContact CB-CG 3.8Å; N573-K575 PolarHBondContact O-N 3.24Å; N573-K575 VanDerWaalsContact O-N 3.13Å
576	G	87.3	Confident	87.9	Confident	2 Å²	2	59.4 Å²	59.4	2%	0.021	30%	0.297	C	S	.	.	S	Bend	trans	74.7	28.2	-171.7	0	0	0	0	0	113.2	D571 K574 Y615 F616 K617	D571-G576 VanDerWaalsContact OD2-CA 3.3Å; D571-G576 WeakPolarHBondContact OD2-CA 3.47Å; D571-G576 PolarHBondContact OD2-N 3.33Å; K574-G576 VanDerWaalsContact C-N 3.27Å; K574-G576 PolarHBondContact O-N 2.96Å; G576-Y615 CarbonylContact O-C 3.6Å; G576-F616 WeakPolarHBondContact O-CD1 3.25Å; G576-F616 PolarHBondContact O-N 2.88Å; G576-K617 PolarHBondContact O-N 2.81Å; G576-K617 VanDerWaalsContact O-N 3.15Å
577	A	90.9	Very high	87.7	Confident	11 Å²	11	59.1 Å²	59.1	9%	0.091	30%	0.295	C	S	.	.			trans	-144.3	145.8	-173.3	0	0	0	0	0	111.3	T613 I614 Y615	A577-T613 HydrophobicContact CB-CG2 3.76Å; A577-I614 VanDerWaalsContact CA-O 3.27Å; A577-I614 WeakPolarHBondContact CA-O 3.43Å; A577-Y615 HydrophobicContact CB-CD1 3.54Å; A577-Y615 HydrophobicContact CB-CE1 3.64Å; A577-Y615 HydrophobicContact CB-CG 4.13Å
578	V	91.6	Very high	87.3	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150	173.9	-70.4	0	0	0	0	110.2	L567 M570 D571 Q582 F583 T613 I614 F616	L567-V578 HydrophobicContact CD2-CG1 4.41Å; L567-V578 HydrophobicContact CD2-CG2 3.98Å; M570-V578 HydrophobicContact CB-CG1 4.15Å; D571-V578 HydrophobicContact CB-CG1 4.39Å; V578-Q582 HydrophobicContact CB-CB 3.88Å; V578-Q582 HydrophobicContact CG1-CB 4.34Å; V578-F583 HydrophobicContact CG2-CB 4.06Å; V578-F583 HydrophobicContact CG2-CD2 4.15Å; V578-T613 WeakPolarHBondContact O-CG2 3.38Å; V578-I614 HydrophobicContact CG2-CB 4.27Å; V578-I614 PolarHBondContact N-O 2.94Å; V578-I614 PolarHBondContact O-N 3.32Å; V578-F616 HydrophobicContact CG1-CE1 3.95Å; V578-F616 HydrophobicContact CG2-CD1 4.25Å
579	S	91.6	Very high	86.9	Confident	44 Å²	44	64.6 Å²	64.6	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	159.9	170	73.5	0	0	0	0	110.8	L581 Q582 F583	S579-L581 PolarHBondContact O-N 3.5Å; S579-Q582 WeakPolarHBondContact O-CB 3.4Å; S579-Q582 PolarHBondContact O-N 3.27Å; S579-Q582 VanDerWaalsContact O-N 3.11Å; S579-Q582 WeakPolarHBondContact OG-CG 3.47Å; S579-Q582 PolarHBondContact OG-N 3.17Å; S579-Q582 VanDerWaalsContact OG-N 3.16Å; S579-F583 PolarHBondContact O-N 2.97Å
580	V	89.9	Confident	86.2	Confident	26 Å²	26	59.1 Å²	59.1	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-38	173.3	171.3	0	0	0	0	111.9	F583 I584 V599 Q603 I614	V580-F583 PolarHBondContact O-N 2.63Å; V580-I584 HydrophobicContact CG1-CD1 3.76Å; V580-I584 HydrophobicContact CG1-CG1 4.33Å; V580-I584 WeakPolarHBondContact O-CB 3.46Å; V580-I584 VanDerWaalsContact O-CG1 3.32Å; V580-I584 WeakPolarHBondContact O-CG1 3.34Å; V580-I584 PolarHBondContact O-N 2.69Å; V580-V599 HydrophobicContact CG1-CG1 3.71Å; V580-Q603 HydrophobicContact CG2-CB 4.22Å; V580-Q603 HydrophobicContact CG2-CG 3.75Å; V580-I614 HydrophobicContact CG2-CD1 4.18Å; V580-I614 HydrophobicContact CG2-CG1 4.42Å
581	L	89.2	Confident	85.1	Confident	133 Å²	133	58.6 Å²	58.6	70%	0.696	29%	0.293	S	S	*	.	H	α-helix	trans	-63	-44.2	177.1	-67.8	176.4	0	0	0	111.7	S579 I584 E585	S579-L581 PolarHBondContact O-N 3.5Å; L581-I584 PolarHBondContact O-N 3.44Å; L581-E585 WeakPolarHBondContact O-CB 3.46Å; L581-E585 PolarHBondContact O-N 2.56Å
582	Q	91.6	Very high	84.1	Confident	51 Å²	51	58.6 Å²	58.6	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-40.1	175.1	-73.5	175.2	-39.1	0	0	111.6	M570 V578 S579 E585 A586	M570-Q582 HydrophobicContact CB-CB 4.45Å; M570-Q582 PolarHBondContact O-NE2 3.09Å; M570-Q582 HydrophobicContact SD-CB 4.19Å; V578-Q582 HydrophobicContact CB-CB 3.88Å; V578-Q582 HydrophobicContact CG1-CB 4.34Å; S579-Q582 WeakPolarHBondContact O-CB 3.4Å; S579-Q582 PolarHBondContact O-N 3.27Å; S579-Q582 VanDerWaalsContact O-N 3.11Å; S579-Q582 WeakPolarHBondContact OG-CG 3.47Å; S579-Q582 PolarHBondContact OG-N 3.17Å; S579-Q582 VanDerWaalsContact OG-N 3.16Å; Q582-E585 CarbonylContact O-C 3.49Å; Q582-E585 WeakPolarHBondContact O-CB 3.21Å; Q582-E585 PolarHBondContact O-N 2.9Å; Q582-A586 PolarHBondContact O-N 3.34Å
583	F	90.5	Very high	83	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-44.6	176	-169	-91.6	0	0	0	111.7	L548 L552 F563 L567 V578 S579 V580 E585 A586 L587 L602 I614	L548-F583 HydrophobicContact CB-CE1 4.48Å; L548-F583 HydrophobicContact CB-CZ 4.47Å; L548-F583 HydrophobicContact CD1-CE1 4.21Å; L552-F583 HydrophobicContact CD2-CE2 4.09Å; L552-F583 HydrophobicContact CG-CE2 4.32Å; F563-F583 AromaticContact CE1-CE2 3.77Å; F563-F583 HydrophobicContact CE1-CE2 3.77Å; F563-F583 AromaticContact CE1-CZ 3.88Å; F563-F583 HydrophobicContact CE1-CZ 3.88Å; F563-F583 HydrophobicContact CZ-CD2 4.45Å; F563-F583 HydrophobicContact CZ-CE1 4.42Å; F563-F583 AromaticContact CZ-CE2 3.73Å; F563-F583 HydrophobicContact CZ-CE2 3.73Å; F563-F583 AromaticContact CZ-CZ 3.7Å; F563-F583 HydrophobicContact CZ-CZ 3.7Å; L567-F583 HydrophobicContact CD1-CD2 4.37Å; L567-F583 HydrophobicContact CD1-CE2 4.09Å; L567-F583 HydrophobicContact CD2-CD2 3.71Å; L567-F583 HydrophobicContact CD2-CE2 4.18Å; V578-F583 HydrophobicContact CG2-CB 4.06Å; V578-F583 HydrophobicContact CG2-CD2 4.15Å; S579-F583 PolarHBondContact O-N 2.97Å; V580-F583 PolarHBondContact O-N 2.63Å; F583-E585 VanDerWaalsContact C-N 3.28Å; F583-E585 PolarHBondContact O-N 2.91Å; F583-A586 WeakPolarHBondContact O-CB 3.41Å; F583-A586 PolarHBondContact O-N 3Å; F583-A586 VanDerWaalsContact O-N 3.15Å; F583-L587 HydrophobicContact CD1-CD1 3.87Å; F583-L587 HydrophobicContact CD1-CG 4.1Å; F583-L587 HydrophobicContact CE1-CD1 3.71Å; F583-L587 HydrophobicContact CE1-CD2 4.03Å; F583-L587 HydrophobicContact CE1-CG 3.9Å; F583-L587 HydrophobicContact CZ-CD2 4.44Å; F583-L587 WeakPolarHBondContact O-CG 3.49Å; F583-L587 PolarHBondContact O-N 3.28Å; F583-L602 HydrophobicContact CD1-CD2 4.1Å; F583-L602 HydrophobicContact CD2-CD2 4.44Å; F583-L602 HydrophobicContact CE1-CD2 3.36Å; F583-L602 HydrophobicContact CE2-CD2 3.77Å; F583-L602 HydrophobicContact CZ-CD2 3.18Å; F583-I614 HydrophobicContact CB-CD1 3.61Å; F583-I614 HydrophobicContact CD1-CD1 4.06Å; F583-I614 HydrophobicContact CD2-CD1 4Å; F583-I614 HydrophobicContact CD2-CG2 4.32Å; F583-I614 HydrophobicContact CG-CD1 3.61Å
584	I	88	Confident	82.6	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-41.7	172.7	-75.1	170.7	0	0	0	110.8	V580 L581 A586 L587 K588 Y594 Y596 V599	V580-I584 HydrophobicContact CG1-CD1 3.76Å; V580-I584 HydrophobicContact CG1-CG1 4.33Å; V580-I584 WeakPolarHBondContact O-CB 3.46Å; V580-I584 VanDerWaalsContact O-CG1 3.32Å; V580-I584 WeakPolarHBondContact O-CG1 3.34Å; V580-I584 PolarHBondContact O-N 2.69Å; L581-I584 PolarHBondContact O-N 3.44Å; I584-A586 VanDerWaalsContact C-N 3.33Å; I584-L587 PolarHBondContact O-N 2.77Å; I584-K588 HydrophobicContact CG2-CD 4.17Å; I584-K588 VanDerWaalsContact O-CG 3.31Å; I584-K588 WeakPolarHBondContact O-CG 3.42Å; I584-K588 PolarHBondContact O-N 3.43Å; I584-Y594 HydrophobicContact CG1-CE2 4.3Å; I584-Y594 VanDerWaalsContact CG2-OH 3.25Å; I584-Y594 WeakPolarHBondContact CG2-OH 3.28Å; I584-Y596 HydrophobicContact CD1-CE1 4.26Å; I584-V599 HydrophobicContact CD1-CG1 4.3Å; I584-V599 HydrophobicContact CG1-CG1 4.12Å; I584-V599 HydrophobicContact CG1-CG2 4.37Å
585	E	87.6	Confident	82	Confident	109 Å²	109	48.2 Å²	48.2	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-37.7	176.1	-167.1	163.6	-167.1	0	0	111.8	M570 L581 Q582 F583 K588 I589	M570-E585 HydrophobicContact CE-CB 4.1Å; M570-E585 HydrophobicContact CE-CG 3.96Å; M570-E585 HydrophobicContact SD-CB 4.42Å; L581-E585 WeakPolarHBondContact O-CB 3.46Å; L581-E585 PolarHBondContact O-N 2.56Å; Q582-E585 CarbonylContact O-C 3.49Å; Q582-E585 WeakPolarHBondContact O-CB 3.21Å; Q582-E585 PolarHBondContact O-N 2.9Å; F583-E585 VanDerWaalsContact C-N 3.28Å; F583-E585 PolarHBondContact O-N 2.91Å; E585-K588 WeakPolarHBondContact O-CB 3.33Å; E585-K588 PolarHBondContact O-N 3.44Å; E585-I589 VanDerWaalsContact O-CG1 3.32Å; E585-I589 WeakPolarHBondContact O-CG1 3.42Å; E585-I589 PolarHBondContact O-N 3.18Å
586	A	87.5	Confident	81.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-43.8	172.7	0	0	0	0	0	111.6	F563 V566 L567 M570 Q582 F583 I584 K588 I589 M590	F563-A586 HydrophobicContact CE2-CB 4.09Å; F563-A586 HydrophobicContact CZ-CB 4.47Å; V566-A586 HydrophobicContact CG1-CB 3.8Å; L567-A586 HydrophobicContact CD2-CB 3.64Å; L567-A586 HydrophobicContact CG-CB 4.39Å; M570-A586 HydrophobicContact CE-CB 4.04Å; M570-A586 HydrophobicContact SD-CB 3.86Å; Q582-A586 PolarHBondContact O-N 3.34Å; F583-A586 WeakPolarHBondContact O-CB 3.41Å; F583-A586 PolarHBondContact O-N 3Å; F583-A586 VanDerWaalsContact O-N 3.15Å; I584-A586 VanDerWaalsContact C-N 3.33Å; A586-K588 VanDerWaalsContact C-N 3.3Å; A586-K588 PolarHBondContact O-N 2.71Å; A586-I589 PolarHBondContact O-N 3.24Å; A586-M590 VanDerWaalsContact O-CB 3.25Å; A586-M590 WeakPolarHBondContact O-CB 3.32Å; A586-M590 WeakPolarHBondContact O-CG 3.26Å; A586-M590 PolarHBondContact O-N 3.41Å
587	L	82.6	Confident	81	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-42	173.7	-65.1	174.5	0	0	0	111.3	L548 L551 F563 F583 I584 M590 G591 V592 Y594 V599	L548-L587 HydrophobicContact CD2-CD1 4.12Å; L548-L587 HydrophobicContact CD2-CD2 3.91Å; L551-L587 HydrophobicContact CD1-CD2 4.47Å; F563-L587 HydrophobicContact CE2-CD2 3.86Å; F563-L587 HydrophobicContact CZ-CD2 3.8Å; F563-L587 HydrophobicContact CZ-CG 4.48Å; F583-L587 HydrophobicContact CD1-CD1 3.87Å; F583-L587 HydrophobicContact CD1-CG 4.1Å; F583-L587 HydrophobicContact CE1-CD1 3.71Å; F583-L587 HydrophobicContact CE1-CD2 4.03Å; F583-L587 HydrophobicContact CE1-CG 3.9Å; F583-L587 HydrophobicContact CZ-CD2 4.44Å; F583-L587 WeakPolarHBondContact O-CG 3.49Å; F583-L587 PolarHBondContact O-N 3.28Å; I584-L587 PolarHBondContact O-N 2.77Å; L587-M590 CarbonylContact O-C 3.57Å; L587-M590 PolarHBondContact O-N 2.99Å; L587-G591 PolarHBondContact O-N 3.29Å; L587-V592 HydrophobicContact CB-CB 4.39Å; L587-V592 HydrophobicContact CD2-CB 3.9Å; L587-V592 HydrophobicContact CD2-CG1 3.81Å; L587-V592 HydrophobicContact CD2-CG2 4.48Å; L587-V592 PolarHBondContact O-N 2.83Å; L587-Y594 HydrophobicContact CB-CD1 3.76Å; L587-Y594 HydrophobicContact CB-CE1 3.91Å; L587-Y594 HydrophobicContact CD1-CD1 3.45Å; L587-Y594 VanDerWaalsContact CD1-CD1 3.45Å; L587-Y594 HydrophobicContact CD1-CD2 4.25Å; L587-Y594 HydrophobicContact CD1-CE1 4.04Å; L587-Y594 HydrophobicContact CD1-CG 3.59Å; L587-Y594 HydrophobicContact CG-CD1 4.22Å; L587-V599 HydrophobicContact CD1-CG2 4.15Å
588	K	79.9	Confident	80.5	Confident	136 Å²	136	55.3 Å²	55.3	59%	0.591	27%	0.268	S	S	*	.	H	α-helix	trans	-63.5	-44.9	175.5	-72.1	172.7	179.5	-178.5	0	112.4	I584 E585 A586 M590 G591	I584-K588 HydrophobicContact CG2-CD 4.17Å; I584-K588 VanDerWaalsContact O-CG 3.31Å; I584-K588 WeakPolarHBondContact O-CG 3.42Å; I584-K588 PolarHBondContact O-N 3.43Å; E585-K588 WeakPolarHBondContact O-CB 3.33Å; E585-K588 PolarHBondContact O-N 3.44Å; A586-K588 VanDerWaalsContact C-N 3.3Å; A586-K588 PolarHBondContact O-N 2.71Å; K588-M590 PolarHBondContact O-N 3.43Å; K588-G591 PolarHBondContact O-N 3.27Å
589	I	78.8	Confident	80.2	Confident	87 Å²	87	55.2 Å²	55.2	45%	0.446	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-36.7	176.5	-71.6	177.1	0	0	0	111.3	Y558 V566 M570 E585 A586 G591	Y558-I589 WeakPolarHBondContact CE1-O 3.39Å; V566-I589 HydrophobicContact CG1-CB 4.41Å; V566-I589 HydrophobicContact CG1-CD1 4.46Å; V566-I589 HydrophobicContact CG1-CG2 4.18Å; M570-I589 HydrophobicContact CE-CD1 3.25Å; M570-I589 HydrophobicContact CE-CG1 4.33Å; E585-I589 VanDerWaalsContact O-CG1 3.32Å; E585-I589 WeakPolarHBondContact O-CG1 3.42Å; E585-I589 PolarHBondContact O-N 3.18Å; A586-I589 PolarHBondContact O-N 3.24Å; I589-G591 VanDerWaalsContact C-N 3.29Å
590	M	72.6	Confident	79.8	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.7	-178.1	-68	-93.1	-17.6	0	0	112.9	V556 Y558 F563 V566 A586 L587 K588 V592	V556-M590 HydrophobicContact CB-CE 4.28Å; V556-M590 HydrophobicContact CG1-CE 3.66Å; V556-M590 WeakPolarHBondContact O-CE 3.4Å; Y558-M590 WeakPolarHBondContact CD1-O 3.49Å; Y558-M590 HydrophobicContact CG-CE 4.36Å; F563-M590 HydrophobicContact CB-CE 4.17Å; F563-M590 HydrophobicContact CB-SD 4.1Å; F563-M590 HydrophobicContact CD2-CB 4.24Å; F563-M590 HydrophobicContact CD2-CE 4.29Å; F563-M590 HydrophobicContact CD2-CG 3.59Å; F563-M590 HydrophobicContact CD2-SD 3.85Å; F563-M590 HydrophobicContact CE2-CG 4.1Å; V566-M590 HydrophobicContact CB-CG 4.48Å; V566-M590 HydrophobicContact CB-SD 4.31Å; V566-M590 HydrophobicContact CG1-CG 4.45Å; V566-M590 HydrophobicContact CG2-CG 4.15Å; V566-M590 HydrophobicContact CG2-SD 3.6Å; V566-M590 VanDerWaalsContact CG2-SD 3.6Å; A586-M590 VanDerWaalsContact O-CB 3.25Å; A586-M590 WeakPolarHBondContact O-CB 3.32Å; A586-M590 WeakPolarHBondContact O-CG 3.26Å; A586-M590 PolarHBondContact O-N 3.41Å; L587-M590 CarbonylContact O-C 3.57Å; L587-M590 PolarHBondContact O-N 2.99Å; K588-M590 PolarHBondContact O-N 3.43Å; M590-V592 VanDerWaalsContact C-N 3.27Å; M590-V592 HydrophobicContact CB-CG2 3.89Å; M590-V592 PolarHBondContact O-N 2.99Å
591	G	65.8	Low	79.5	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	35.1	-175.7	0	0	0	0	0	112.8	I530 L587 K588 I589	I530-G591 WeakPolarHBondContact CD1-O 3.07Å; I530-G591 WeakPolarHBondContact CG1-O 3.36Å; I530-G591 WeakPolarHBondContact CG2-O 3.3Å; L587-G591 PolarHBondContact O-N 3.29Å; K588-G591 PolarHBondContact O-N 3.27Å; I589-G591 VanDerWaalsContact C-N 3.29Å
592	V	69	Low	79.5	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.079	25%	0.25	C	S	.	.			trans	-91.8	129.3	179.6	173.6	0	0	0	0	109.6	L551 L587 M590 Y594	L551-V592 HydrophobicContact CD1-CG1 3.46Å; L551-V592 VanDerWaalsContact CD1-CG1 3.46Å; L551-V592 HydrophobicContact CD1-CG2 4.36Å; L551-V592 HydrophobicContact CD2-CG1 4.39Å; L551-V592 HydrophobicContact CD2-CG2 3.75Å; L587-V592 HydrophobicContact CB-CB 4.39Å; L587-V592 HydrophobicContact CD2-CB 3.9Å; L587-V592 HydrophobicContact CD2-CG1 3.81Å; L587-V592 HydrophobicContact CD2-CG2 4.48Å; L587-V592 PolarHBondContact O-N 2.83Å; M590-V592 VanDerWaalsContact C-N 3.27Å; M590-V592 HydrophobicContact CB-CG2 3.89Å; M590-V592 PolarHBondContact O-N 2.99Å; V592-Y594 WeakPolarHBondContact O-CD1 3.38Å
593	N	59.4	Low	79.3	Confident	81 Å²	81	52.1 Å²	52.1	43%	0.433	25%	0.248	S	C	.	.			trans	-79.3	136.6	174	-143.2	-3.8	0	0	0	110.4	I530	I530-N593 HydrophobicContact CD1-CB 3.72Å
594	Y	73.4	Confident	79.1	Confident	40 Å²	40	59.4 Å²	59.4	16%	0.157	28%	0.282	C	S	.	.			trans	-145.6	148.7	-177.1	62.4	-89.4	0	0	0	110.5	I584 L587 V592 V599	I584-Y594 HydrophobicContact CG1-CE2 4.3Å; I584-Y594 VanDerWaalsContact CG2-OH 3.25Å; I584-Y594 WeakPolarHBondContact CG2-OH 3.28Å; L587-Y594 HydrophobicContact CB-CD1 3.76Å; L587-Y594 HydrophobicContact CB-CE1 3.91Å; L587-Y594 HydrophobicContact CD1-CD1 3.45Å; L587-Y594 VanDerWaalsContact CD1-CD1 3.45Å; L587-Y594 HydrophobicContact CD1-CD2 4.25Å; L587-Y594 HydrophobicContact CD1-CE1 4.04Å; L587-Y594 HydrophobicContact CD1-CG 3.59Å; L587-Y594 HydrophobicContact CG-CD1 4.22Å; V592-Y594 WeakPolarHBondContact O-CD1 3.38Å; Y594-V599 HydrophobicContact CD2-CG2 3.52Å; Y594-V599 HydrophobicContact CE2-CG2 4.14Å; Y594-V599 HydrophobicContact CG-CG2 4.13Å
595	K	71.2	Confident	79.1	Confident	91 Å²	91	65 Å²	65	40%	0.396	30%	0.302	S	S	.	.			trans	-88.7	147.1	162.4	-74.7	-177	170.1	163.4	0	110.3	F545 E597 Q598 V599	F545-K595 HydrophobicContact CD1-CG 4.05Å; F545-K595 HydrophobicContact CD2-CD 4.14Å; F545-K595 HydrophobicContact CD2-CG 4.3Å; F545-K595 HydrophobicContact CE1-CB 4.4Å; F545-K595 HydrophobicContact CE1-CD 4.31Å; F545-K595 HydrophobicContact CE1-CG 3.52Å; F545-K595 HydrophobicContact CE2-CD 3.67Å; F545-K595 HydrophobicContact CE2-CG 3.82Å; F545-K595 HydrophobicContact CG-CG 4.43Å; F545-K595 HydrophobicContact CZ-CD 3.77Å; F545-K595 HydrophobicContact CZ-CG 3.41Å; F545-K595 VanDerWaalsContact CZ-CG 3.41Å; K595-E597 WeakPolarHBondContact CB-OE2 2.87Å; K595-E597 PolarHBondContact O-N 3.15Å; K595-Q598 HydrophobicContact CB-CG 4.07Å; K595-Q598 WeakPolarHBondContact O-CB 3.33Å; K595-Q598 PolarHBondContact O-N 3.26Å; K595-V599 PolarHBondContact O-N 3.2Å
596	Y	77.2	Confident	79.1	Confident	145 Å²	145	60.5 Å²	60.5	57%	0.569	28%	0.281	S	S	*	.	H	α-helix	trans	-58.9	-33.5	173.8	-82.9	-80.9	0	0	0	111.6	I584 Q598 V599 N600	I584-Y596 HydrophobicContact CD1-CE1 4.26Å; Y596-Q598 VanDerWaalsContact C-N 3.3Å; Y596-Q598 PolarHBondContact O-N 3.31Å; Y596-V599 PolarHBondContact O-N 3.42Å; Y596-N600 VanDerWaalsContact O-CG 3.3Å; Y596-N600 PolarHBondContact O-N 2.72Å
597	E	73.9	Confident	79.2	Confident	131 Å²	131	62 Å²	62	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-61.7	-36.3	174.9	-63.4	79.1	-174.2	0	0	112.4	K595 N600 D601	K595-E597 WeakPolarHBondContact CB-OE2 2.87Å; K595-E597 PolarHBondContact O-N 3.15Å; E597-N600 PolarHBondContact O-N 2.89Å; E597-D601 WeakPolarHBondContact O-CB 3.4Å; E597-D601 PolarHBondContact O-N 2.84Å
598	Q	79	Confident	79.2	Confident	42 Å²	42	67.9 Å²	67.9	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-71.6	-38.7	177.6	-65.8	178.7	-72.6	0	0	112	F545 V546 L548 K595 Y596 N600 D601 L602	F545-Q598 VanDerWaalsContact CB-CD 3.4Å; F545-Q598 VanDerWaalsContact CG-OE1 3.23Å; V546-Q598 PolarHBondContact O-NE2 3.06Å; L548-Q598 HydrophobicContact CD1-CB 3.73Å; L548-Q598 HydrophobicContact CG-CB 4.21Å; K595-Q598 HydrophobicContact CB-CG 4.07Å; K595-Q598 WeakPolarHBondContact O-CB 3.33Å; K595-Q598 PolarHBondContact O-N 3.26Å; Y596-Q598 VanDerWaalsContact C-N 3.3Å; Y596-Q598 PolarHBondContact O-N 3.31Å; Q598-N600 VanDerWaalsContact C-N 3.3Å; Q598-D601 PolarHBondContact O-N 3.1Å; Q598-L602 WeakPolarHBondContact O-CB 3.43Å; Q598-L602 PolarHBondContact O-N 3.35Å
599	V	85.6	Confident	79.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-40.9	175.7	179.5	0	0	0	0	109.8	L548 V580 I584 L587 Y594 K595 Y596 L602 Q603	L548-V599 HydrophobicContact CD1-CB 4.4Å; L548-V599 HydrophobicContact CD1-CG2 3.81Å; V580-V599 HydrophobicContact CG1-CG1 3.71Å; I584-V599 HydrophobicContact CD1-CG1 4.3Å; I584-V599 HydrophobicContact CG1-CG1 4.12Å; I584-V599 HydrophobicContact CG1-CG2 4.37Å; L587-V599 HydrophobicContact CD1-CG2 4.15Å; Y594-V599 HydrophobicContact CD2-CG2 3.52Å; Y594-V599 HydrophobicContact CE2-CG2 4.14Å; Y594-V599 HydrophobicContact CG-CG2 4.13Å; K595-V599 PolarHBondContact O-N 3.2Å; Y596-V599 PolarHBondContact O-N 3.42Å; V599-L602 PolarHBondContact O-N 3.25Å; V599-Q603 VanDerWaalsContact O-CB 3.29Å; V599-Q603 WeakPolarHBondContact O-CB 3.46Å; V599-Q603 PolarHBondContact O-N 3.26Å
600	N	82.9	Confident	79.8	Confident	75 Å²	75	67.1 Å²	67.1	40%	0.401	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-43.4	175.3	-71.3	-14	0	0	0	112.2	Y596 E597 Q598 Q603 Q604	Y596-N600 VanDerWaalsContact O-CG 3.3Å; Y596-N600 PolarHBondContact O-N 2.72Å; E597-N600 PolarHBondContact O-N 2.89Å; Q598-N600 VanDerWaalsContact C-N 3.3Å; N600-Q603 PolarHBondContact O-N 2.96Å; N600-Q604 WeakPolarHBondContact O-CG 3.33Å; N600-Q604 PolarHBondContact O-N 2.94Å
601	D	83.9	Confident	80.4	Confident	72 Å²	72	71.2 Å²	71.2	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-47.6	174.2	180	68.4	0	0	0	111.3	E597 Q598 Q603 Q604 R605	E597-D601 WeakPolarHBondContact O-CB 3.4Å; E597-D601 PolarHBondContact O-N 2.84Å; Q598-D601 PolarHBondContact O-N 3.1Å; D601-Q603 VanDerWaalsContact C-N 3.33Å; D601-Q603 PolarHBondContact O-N 2.96Å; D601-Q604 PolarHBondContact O-N 3.09Å; D601-R605 WeakPolarHBondContact O-CB 3.46Å; D601-R605 WeakPolarHBondContact O-CD 3.33Å; D601-R605 VanDerWaalsContact O-CG 3.22Å; D601-R605 WeakPolarHBondContact O-CG 3.3Å; D601-R605 PolarHBondContact O-N 2.88Å; D601-R605 WeakPolarHBondContact OD2-CD 3.45Å; D601-R605 IonicContact OD2-CZ 3.92Å; D601-R605 IonicContact OD2-NH1 3.28Å; D601-R605 PolarHBondContact OD2-NH1 3.47Å
602	L	88.3	Confident	81.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-45.2	176.7	-177.4	76.3	0	0	0	111.5	L548 L549 L552 F583 Q598 V599 R605 L606 I614	L548-L602 HydrophobicContact CB-CB 4.39Å; L548-L602 HydrophobicContact CB-CD1 4.2Å; L548-L602 HydrophobicContact CB-CD2 3.83Å; L548-L602 HydrophobicContact CB-CG 4.36Å; L548-L602 HydrophobicContact CD1-CB 4.34Å; L548-L602 HydrophobicContact CD1-CD2 4.29Å; L549-L602 HydrophobicContact CB-CD1 4.42Å; L549-L602 HydrophobicContact CD1-CD1 3.37Å; L549-L602 HydrophobicContact CD2-CD1 4.46Å; L549-L602 HydrophobicContact CG-CD1 3.44Å; L549-L602 VanDerWaalsContact CG-CD1 3.44Å; L552-L602 HydrophobicContact CD1-CD1 4.02Å; L552-L602 HydrophobicContact CD1-CD2 4.41Å; F583-L602 HydrophobicContact CD1-CD2 4.1Å; F583-L602 HydrophobicContact CD2-CD2 4.44Å; F583-L602 HydrophobicContact CE1-CD2 3.36Å; F583-L602 HydrophobicContact CE2-CD2 3.77Å; F583-L602 HydrophobicContact CZ-CD2 3.18Å; Q598-L602 WeakPolarHBondContact O-CB 3.43Å; Q598-L602 PolarHBondContact O-N 3.35Å; V599-L602 PolarHBondContact O-N 3.25Å; L602-R605 PolarHBondContact O-N 3.01Å; L602-L606 HydrophobicContact CD1-CD1 3.62Å; L602-L606 HydrophobicContact CD1-CG 4.24Å; L602-L606 HydrophobicContact CG-CD1 3.95Å; L602-L606 WeakPolarHBondContact O-CB 3.25Å; L602-L606 PolarHBondContact O-N 3.01Å; L602-I614 HydrophobicContact CD2-CD1 4.33Å
603	Q	89	Confident	82.3	Confident	41 Å²	41	72.6 Å²	72.6	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-50.6	177.5	-174.8	-168.6	24.4	0	0	110.1	V580 V599 N600 D601 R605 L606 D607 G612 I614	V580-Q603 HydrophobicContact CG2-CB 4.22Å; V580-Q603 HydrophobicContact CG2-CG 3.75Å; V599-Q603 VanDerWaalsContact O-CB 3.29Å; V599-Q603 WeakPolarHBondContact O-CB 3.46Å; V599-Q603 PolarHBondContact O-N 3.26Å; N600-Q603 PolarHBondContact O-N 2.96Å; D601-Q603 VanDerWaalsContact C-N 3.33Å; D601-Q603 PolarHBondContact O-N 2.96Å; Q603-R605 PolarHBondContact O-N 3.24Å; Q603-L606 CarbonylContact O-C 3.6Å; Q603-L606 PolarHBondContact O-N 3.39Å; Q603-L606 VanDerWaalsContact O-N 3.11Å; Q603-D607 HydrophobicContact CG-CB 4.38Å; Q603-D607 WeakPolarHBondContact O-CA 3.38Å; Q603-D607 WeakPolarHBondContact O-CB 3.46Å; Q603-D607 PolarHBondContact O-N 3.08Å; Q603-G612 VanDerWaalsContact NE2-C 3.32Å; Q603-G612 PolarHBondContact NE2-O 3.37Å; Q603-I614 HydrophobicContact CB-CG1 4.33Å; Q603-I614 HydrophobicContact CG-CG1 4.36Å
604	Q	86.8	Confident	83.7	Confident	152 Å²	152	68.7 Å²	68.7	71%	0.71	34%	0.336	S	S	*	.	H	α-helix	trans	-58.5	-32.9	178.6	-71.9	175.8	21	0	0	112.8	N600 D601	N600-Q604 WeakPolarHBondContact O-CG 3.33Å; N600-Q604 PolarHBondContact O-N 2.94Å; D601-Q604 PolarHBondContact O-N 3.09Å
605	R	86.4	Confident	84.5	Confident	131 Å²	131	68.7 Å²	68.7	49%	0.494	34%	0.336	S	S	.	.	H	α-helix	trans	-79.1	-27.1	179.2	-69.1	165.4	67.4	176.6	1.2	113.7	D601 L602 Q603	D601-R605 WeakPolarHBondContact O-CB 3.46Å; D601-R605 WeakPolarHBondContact O-CD 3.33Å; D601-R605 VanDerWaalsContact O-CG 3.22Å; D601-R605 WeakPolarHBondContact O-CG 3.3Å; D601-R605 PolarHBondContact O-N 2.88Å; D601-R605 WeakPolarHBondContact OD2-CD 3.45Å; D601-R605 IonicContact OD2-CZ 3.92Å; D601-R605 IonicContact OD2-NH1 3.28Å; D601-R605 PolarHBondContact OD2-NH1 3.47Å; L602-R605 PolarHBondContact O-N 3.01Å; Q603-R605 PolarHBondContact O-N 3.24Å
606	L	88.3	Confident	85.2	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-114.3	-4.5	-174.2	-62.5	-175.3	0	0	0	114.2	L552 L602 Q603 K608 I614 Y615 Y619	L552-L606 HydrophobicContact CD1-CD1 3.41Å; L552-L606 VanDerWaalsContact CD1-CD1 3.41Å; L602-L606 HydrophobicContact CD1-CD1 3.62Å; L602-L606 HydrophobicContact CD1-CG 4.24Å; L602-L606 HydrophobicContact CG-CD1 3.95Å; L602-L606 WeakPolarHBondContact O-CB 3.25Å; L602-L606 PolarHBondContact O-N 3.01Å; Q603-L606 CarbonylContact O-C 3.6Å; Q603-L606 PolarHBondContact O-N 3.39Å; Q603-L606 VanDerWaalsContact O-N 3.11Å; L606-K608 VanDerWaalsContact C-N 3.34Å; L606-K608 PolarHBondContact O-N 2.66Å; L606-K608 VanDerWaalsContact O-N 3.1Å; L606-I614 HydrophobicContact CB-CG2 4.07Å; L606-I614 HydrophobicContact CD1-CG2 3.86Å; L606-Y615 WeakPolarHBondContact O-CB 3.17Å; L606-Y615 WeakPolarHBondContact O-CD2 3.36Å; L606-Y615 PolarHBondContact O-N 2.76Å; L606-Y615 VanDerWaalsContact O-N 3.16Å; L606-Y619 HydrophobicContact CD2-CD2 3.72Å; L606-Y619 HydrophobicContact CD2-CG 3.79Å
607	D	89.4	Confident	85.5	Confident	31 Å²	31	62 Å²	62	17%	0.166	31%	0.309	C	S	.	.			trans	-82.6	80.8	173.4	-176.2	3.7	0	0	0	110	Q603 Y609 G610 D611 G612 T613	Q603-D607 HydrophobicContact CG-CB 4.38Å; Q603-D607 WeakPolarHBondContact O-CA 3.38Å; Q603-D607 WeakPolarHBondContact O-CB 3.46Å; Q603-D607 PolarHBondContact O-N 3.08Å; D607-Y609 PolarHBondContact O-N 3.27Å; D607-Y609 PolarHBondContact OD1-N 3.02Å; D607-G610 WeakPolarHBondContact OD1-CA 3.41Å; D607-G610 PolarHBondContact OD1-N 3.26Å; D607-G610 VanDerWaalsContact OD2-C 3.23Å; D607-G610 VanDerWaalsContact OD2-CA 3.23Å; D607-G610 WeakPolarHBondContact OD2-CA 3.46Å; D607-D611 PolarHBondContact OD1-N 3.13Å; D607-D611 PolarHBondContact OD2-N 3.45Å; D607-G612 WeakPolarHBondContact OD2-CA 3.46Å; D607-G612 PolarHBondContact OD2-N 3.23Å; D607-T613 WeakPolarHBondContact CA-O 3.42Å
608	K	83.1	Confident	85.6	Confident	125 Å²	125	58.9 Å²	58.9	54%	0.543	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.8	-176.9	-176.7	178.5	176.5	-169.6	0	113.5	L606 Y615 D618	L606-K608 VanDerWaalsContact C-N 3.34Å; L606-K608 PolarHBondContact O-N 2.66Å; L606-K608 VanDerWaalsContact O-N 3.1Å; K608-Y615 HydrophobicContact CB-CD2 4.21Å; K608-D618 IonicContact NZ-OD2 3.84Å; K608-D618 PolarHBondContact NZ-OD2 3.02Å
609	Y	85.9	Confident	85.6	Confident	142 Å²	142	58.7 Å²	58.7	56%	0.557	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-1.1	-172.1	-53.4	-75.9	0	0	0	113.5	D607 D611 Y615	D607-Y609 PolarHBondContact O-N 3.27Å; D607-Y609 PolarHBondContact OD1-N 3.02Å; Y609-D611 VanDerWaalsContact C-N 3.25Å; Y609-D611 PolarHBondContact O-N 3.44Å; Y609-Y615 HydrophobicContact CD2-CD2 4.21Å; Y609-Y615 AromaticContact CD2-CE1 3.91Å; Y609-Y615 HydrophobicContact CD2-CE1 3.91Å; Y609-Y615 AromaticContact CD2-CE2 3.47Å; Y609-Y615 HydrophobicContact CD2-CE2 3.47Å; Y609-Y615 VanDerWaalsContact CD2-CE2 3.47Å; Y609-Y615 AromaticContact CD2-CZ 3.29Å; Y609-Y615 VanDerWaalsContact CD2-OH 3.27Å; Y609-Y615 WeakPolarHBondContact CD2-OH 3.49Å; Y609-Y615 HydrophobicContact CE2-CD1 4.1Å; Y609-Y615 HydrophobicContact CE2-CD2 4.43Å; Y609-Y615 AromaticContact CE2-CE1 3.6Å; Y609-Y615 HydrophobicContact CE2-CE1 3.6Å; Y609-Y615 AromaticContact CE2-CE2 3.96Å; Y609-Y615 HydrophobicContact CE2-CE2 3.96Å; Y609-Y615 HydrophobicContact CE2-CG 4.5Å; Y609-Y615 AromaticContact CE2-CZ 3.52Å
610	G	84	Confident	85.2	Confident	65 Å²	65	60.3 Å²	60.3	67%	0.67	30%	0.303	S	S	*	.	S	Bend	trans	68.6	24.4	-177.2	0	0	0	0	0	113	D607	D607-G610 WeakPolarHBondContact OD1-CA 3.41Å; D607-G610 PolarHBondContact OD1-N 3.26Å; D607-G610 VanDerWaalsContact OD2-C 3.23Å; D607-G610 VanDerWaalsContact OD2-CA 3.23Å; D607-G610 WeakPolarHBondContact OD2-CA 3.46Å
611	D	86.8	Confident	84.8	Confident	89 Å²	89	62.9 Å²	62.9	48%	0.476	31%	0.311	S	S	.	.	S	Bend	trans	-98.6	2.3	-175.4	75.7	-1.5	0	0	0	113.3	D607 Y609 T613 Y615	D607-D611 PolarHBondContact OD1-N 3.13Å; D607-D611 PolarHBondContact OD2-N 3.45Å; Y609-D611 VanDerWaalsContact C-N 3.25Å; Y609-D611 PolarHBondContact O-N 3.44Å; D611-T613 WeakPolarHBondContact OD1-CB 3.34Å; D611-T613 PolarHBondContact OD1-N 3.45Å; D611-T613 PolarHBondContact OD1-OG1 2.85Å; D611-Y615 PolarHBondContact OD2-OH 2.85Å
612	G	85	Confident	84.1	Confident	25 Å²	25	67.5 Å²	67.5	26%	0.258	33%	0.328	S	S	.	.	S	Bend	trans	84.4	9.2	-178.6	0	0	0	0	0	114.5	Q603 D607	Q603-G612 VanDerWaalsContact NE2-C 3.32Å; Q603-G612 PolarHBondContact NE2-O 3.37Å; D607-G612 WeakPolarHBondContact OD2-CA 3.46Å; D607-G612 PolarHBondContact OD2-N 3.23Å
613	T	88.5	Confident	83	Confident	31 Å²	31	69.2 Å²	69.2	19%	0.19	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.8	-177.8	-45.8	0	0	0	0	112.2	A577 V578 D607 D611 Y615	A577-T613 HydrophobicContact CB-CG2 3.76Å; V578-T613 WeakPolarHBondContact O-CG2 3.38Å; D607-T613 WeakPolarHBondContact CA-O 3.42Å; D611-T613 WeakPolarHBondContact OD1-CB 3.34Å; D611-T613 PolarHBondContact OD1-N 3.45Å; D611-T613 PolarHBondContact OD1-OG1 2.85Å; T613-Y615 HydrophobicContact CG2-CE2 4.29Å; T613-Y615 WeakPolarHBondContact O-CD2 3.33Å
614	I	89.3	Confident	81.5	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.4	176.5	-64.1	169.5	0	0	0	109.8	A577 V578 V580 F583 L602 Q603 L606 F616	A577-I614 VanDerWaalsContact CA-O 3.27Å; A577-I614 WeakPolarHBondContact CA-O 3.43Å; V578-I614 HydrophobicContact CG2-CB 4.27Å; V578-I614 PolarHBondContact N-O 2.94Å; V578-I614 PolarHBondContact O-N 3.32Å; V580-I614 HydrophobicContact CG2-CD1 4.18Å; V580-I614 HydrophobicContact CG2-CG1 4.42Å; F583-I614 HydrophobicContact CB-CD1 3.61Å; F583-I614 HydrophobicContact CD1-CD1 4.06Å; F583-I614 HydrophobicContact CD2-CD1 4Å; F583-I614 HydrophobicContact CD2-CG2 4.32Å; F583-I614 HydrophobicContact CG-CD1 3.61Å; L602-I614 HydrophobicContact CD2-CD1 4.33Å; Q603-I614 HydrophobicContact CB-CG1 4.33Å; Q603-I614 HydrophobicContact CG-CG1 4.36Å; L606-I614 HydrophobicContact CB-CG2 4.07Å; L606-I614 HydrophobicContact CD1-CG2 3.86Å; I614-F616 PolarHBondContact O-N 3.04Å
615	Y	90.2	Very high	79.5	Confident	40 Å²	40	70.6 Å²	70.6	16%	0.157	35%	0.354	C	S	.	.			trans	-88.8	78.2	179.3	-67.6	-91.4	0	0	0	112.4	G576 A577 L606 K608 Y609 D611 T613	G576-Y615 CarbonylContact O-C 3.6Å; A577-Y615 HydrophobicContact CB-CD1 3.54Å; A577-Y615 HydrophobicContact CB-CE1 3.64Å; A577-Y615 HydrophobicContact CB-CG 4.13Å; L606-Y615 WeakPolarHBondContact O-CB 3.17Å; L606-Y615 WeakPolarHBondContact O-CD2 3.36Å; L606-Y615 PolarHBondContact O-N 2.76Å; L606-Y615 VanDerWaalsContact O-N 3.16Å; K608-Y615 HydrophobicContact CB-CD2 4.21Å; Y609-Y615 HydrophobicContact CD2-CD2 4.21Å; Y609-Y615 AromaticContact CD2-CE1 3.91Å; Y609-Y615 HydrophobicContact CD2-CE1 3.91Å; Y609-Y615 AromaticContact CD2-CE2 3.47Å; Y609-Y615 HydrophobicContact CD2-CE2 3.47Å; Y609-Y615 VanDerWaalsContact CD2-CE2 3.47Å; Y609-Y615 AromaticContact CD2-CZ 3.29Å; Y609-Y615 VanDerWaalsContact CD2-OH 3.27Å; Y609-Y615 WeakPolarHBondContact CD2-OH 3.49Å; Y609-Y615 HydrophobicContact CE2-CD1 4.1Å; Y609-Y615 HydrophobicContact CE2-CD2 4.43Å; Y609-Y615 AromaticContact CE2-CE1 3.6Å; Y609-Y615 HydrophobicContact CE2-CE1 3.6Å; Y609-Y615 AromaticContact CE2-CE2 3.96Å; Y609-Y615 HydrophobicContact CE2-CE2 3.96Å; Y609-Y615 HydrophobicContact CE2-CG 4.5Å; Y609-Y615 AromaticContact CE2-CZ 3.52Å; D611-Y615 PolarHBondContact OD2-OH 2.85Å; T613-Y615 HydrophobicContact CG2-CE2 4.29Å; T613-Y615 WeakPolarHBondContact O-CD2 3.33Å
616	F	86.8	Confident	77.5	Confident	3 Å²	3	68.8 Å²	68.8	1%	0.013	36%	0.361	C	S	.	.	H	α-helix	trans	-73.4	-30.8	-173.3	67.1	-85.3	0	0	0	114.5	L552 L567 Q568 D571 G576 V578 I614 Y619 L620	L552-F616 HydrophobicContact CD2-CB 3.81Å; L567-F616 HydrophobicContact CB-CD2 4.49Å; L567-F616 HydrophobicContact CB-CE1 4.4Å; L567-F616 HydrophobicContact CB-CE2 4.19Å; L567-F616 HydrophobicContact CB-CZ 4.14Å; L567-F616 HydrophobicContact CD1-CD2 4.41Å; L567-F616 HydrophobicContact CD1-CG 4.34Å; Q568-F616 HydrophobicContact CG-CE2 4.31Å; D571-F616 HydrophobicContact CB-CE1 4.38Å; D571-F616 HydrophobicContact CB-CZ 4.27Å; G576-F616 WeakPolarHBondContact O-CD1 3.25Å; G576-F616 PolarHBondContact O-N 2.88Å; V578-F616 HydrophobicContact CG1-CE1 3.95Å; V578-F616 HydrophobicContact CG2-CD1 4.25Å; I614-F616 PolarHBondContact O-N 3.04Å; F616-Y619 WeakPolarHBondContact O-CB 3.29Å; F616-Y619 PolarHBondContact O-N 3.41Å; F616-L620 HydrophobicContact CD2-CD1 3.9Å; F616-L620 WeakPolarHBondContact O-CG 3.47Å; F616-L620 PolarHBondContact O-N 3.07Å
617	K	83.6	Confident	75	Confident	92 Å²	92	74.8 Å²	74.8	40%	0.4	39%	0.392	S	S	.	.	H	α-helix	trans	-69.8	-38.3	-172.9	-168.9	175.4	-173.6	172.1	0	113.4	G576 Y619 L620 K621	G576-K617 PolarHBondContact O-N 2.81Å; G576-K617 VanDerWaalsContact O-N 3.15Å; K617-Y619 VanDerWaalsContact C-N 3.28Å; K617-L620 PolarHBondContact O-N 3.41Å; K617-K621 WeakPolarHBondContact O-CG 3.34Å; K617-K621 PolarHBondContact O-N 3.26Å
618	D	75.1	Confident	72.3	Confident	65 Å²	65	78.4 Å²	78.4	35%	0.348	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-38	174.9	-80.7	-0.1	0	0	0	110.6	K608 K622	K608-D618 IonicContact NZ-OD2 3.84Å; K608-D618 PolarHBondContact NZ-OD2 3.02Å; D618-K622 WeakPolarHBondContact O-CG 3.47Å; D618-K622 PolarHBondContact O-N 2.96Å; D618-K622 VanDerWaalsContact O-N 3.1Å
619	Y	78.2	Confident	69.9	Low	38 Å²	38	78.6 Å²	78.6	15%	0.149	43%	0.429	C	S	.	.	H	α-helix	trans	-66.5	-45.1	175.3	-179.8	-102.2	0	0	0	112.1	L549 L552 K553 L606 F616 K617 K622 N623	L549-Y619 HydrophobicContact CB-CE1 4.49Å; L549-Y619 HydrophobicContact CD2-CE1 4.23Å; L549-Y619 HydrophobicContact CD2-CE2 3.66Å; L549-Y619 VanDerWaalsContact CD2-CZ 3.46Å; L549-Y619 WeakPolarHBondContact CD2-OH 3.49Å; L552-Y619 HydrophobicContact CB-CD1 4.39Å; L552-Y619 HydrophobicContact CB-CE1 4.26Å; L552-Y619 HydrophobicContact CD1-CD1 4.33Å; K553-Y619 HydrophobicContact CD-CE1 4.36Å; K553-Y619 WeakPolarHBondContact CE-OH 3.37Å; K553-Y619 HydrophobicContact CG-CE1 3.97Å; K553-Y619 PolarHBondContact NZ-OH 3.4Å; L606-Y619 HydrophobicContact CD2-CD2 3.72Å; L606-Y619 HydrophobicContact CD2-CG 3.79Å; F616-Y619 WeakPolarHBondContact O-CB 3.29Å; F616-Y619 PolarHBondContact O-N 3.41Å; K617-Y619 VanDerWaalsContact C-N 3.28Å; Y619-K622 PolarHBondContact O-N 3.11Å; Y619-N623 WeakPolarHBondContact CD2-ND2 3.39Å; Y619-N623 VanDerWaalsContact CE2-ND2 3.27Å; Y619-N623 WeakPolarHBondContact CE2-ND2 3.2Å; Y619-N623 PolarHBondContact O-N 3.08Å; Y619-N623 PolarHBondContact O-ND2 3.37Å
620	L	78.7	Confident	67.3	Low	34 Å²	34	80.3 Å²	80.3	18%	0.178	44%	0.442	C	S	.	.	H	α-helix	trans	-59.1	-50.3	174.8	-69.3	175.3	0	0	0	111.1	L552 T564 F616 K617 K622 N623 V624	L552-L620 WeakPolarHBondContact O-CD2 3.42Å; T564-L620 HydrophobicContact CG2-CD1 3.9Å; T564-L620 HydrophobicContact CG2-CD2 4.17Å; F616-L620 HydrophobicContact CD2-CD1 3.9Å; F616-L620 WeakPolarHBondContact O-CG 3.47Å; F616-L620 PolarHBondContact O-N 3.07Å; K617-L620 PolarHBondContact O-N 3.41Å; L620-K622 PolarHBondContact O-N 3.34Å; L620-N623 PolarHBondContact O-N 2.7Å; L620-N623 VanDerWaalsContact O-N 3.13Å; L620-V624 WeakPolarHBondContact O-CG2 3.41Å; L620-V624 PolarHBondContact O-N 2.74Å; L620-V624 VanDerWaalsContact O-N 3.08Å
621	K	74.6	Confident	64.7	Low	129 Å²	129	81.6 Å²	81.6	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-55.5	-47.3	178.8	-77.3	179.6	177.3	-177.6	0	112.9	K617 N623 V624	K617-K621 WeakPolarHBondContact O-CG 3.34Å; K617-K621 PolarHBondContact O-N 3.26Å; K621-N623 PolarHBondContact O-N 2.97Å; K621-V624 PolarHBondContact O-N 2.82Å
622	K	69	Low	62.1	Low	170 Å²	170	84.4 Å²	84.4	74%	0.739	46%	0.462	S	S	*	.	H	α-helix	trans	-63.8	-24.5	-179.1	-77.2	-179.3	177.8	-176.8	0	114	D618 Y619 L620	D618-K622 WeakPolarHBondContact O-CG 3.47Å; D618-K622 PolarHBondContact O-N 2.96Å; D618-K622 VanDerWaalsContact O-N 3.1Å; Y619-K622 PolarHBondContact O-N 3.11Å; L620-K622 PolarHBondContact O-N 3.34Å
623	N	64.5	Low	59.5	Low	37 Å²	37	88.8 Å²	88.8	20%	0.198	49%	0.489	C	S	.	.	H	α-helix	trans	-104.4	-1.7	-177.5	-69.1	-85.1	0	0	0	113.4	K553 Y619 L620 K621 S626	K553-N623 WeakPolarHBondContact CE-OD1 3.21Å; K553-N623 PolarHBondContact NZ-OD1 3.19Å; Y619-N623 WeakPolarHBondContact CD2-ND2 3.39Å; Y619-N623 VanDerWaalsContact CE2-ND2 3.27Å; Y619-N623 WeakPolarHBondContact CE2-ND2 3.2Å; Y619-N623 PolarHBondContact O-N 3.08Å; Y619-N623 PolarHBondContact O-ND2 3.37Å; L620-N623 PolarHBondContact O-N 2.7Å; L620-N623 VanDerWaalsContact O-N 3.13Å; K621-N623 PolarHBondContact O-N 2.97Å; N623-S626 PolarHBondContact O-OG 2.96Å
624	V	58	Low	56.9	Low	93 Å²	93	92.7 Å²	92.7	56%	0.564	52%	0.518	S	S	*	.	H	α-helix	trans	-78.9	-26.8	175.3	166.6	0	0	0	0	111.3	L620 K621	L620-V624 WeakPolarHBondContact O-CG2 3.41Å; L620-V624 PolarHBondContact O-N 2.74Å; L620-V624 VanDerWaalsContact O-N 3.08Å; K621-V624 PolarHBondContact O-N 2.82Å
625	D	45.3	Very low	54	Low	129 Å²	129	101 Å²	101	69%	0.69	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-78.2	-17.6	-179.9	-66	-29.1	0	0	0	113.8	L627	D625-L627 PolarHBondContact O-N 3.01Å
626	S	42.4	Very low	51.3	Low	92 Å²	92	104.2 Å²	104.2	64%	0.643	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-83.2	12.9	176	58.6	0	0	0	0	114	N623	N623-S626 PolarHBondContact O-OG 2.96Å
627	L	35.8	Very low	48.6	Very low	140 Å²	140	110.1 Å²	110.1	73%	0.733	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-129.6	22.1	-172.9	-77.2	160.7	0	0	0	113.1	D625	D625-L627 PolarHBondContact O-N 3.01Å
628	T	33.8	Very low	46.2	Very low	107 Å²	107	110.5 Å²	110.5	66%	0.656	64%	0.644	S	S	*	*			trans	-78.6	123.3	166	51.3	0	0	0	0	109.2	E630	T628-E630 PolarHBondContact O-N 3.39Å
629	P	32.1	Very low	44.3	Very low	129 Å²	129	116.1 Å²	116.1	84%	0.838	67%	0.665	S	S	*	*			trans	-76.9	96.1	-176	28.9	-30.4	0	0	0	109.5	A631	P629-A631 PolarHBondContact O-N 3.36Å
630	E	32.3	Very low	42	Very low	178 Å²	178	125.6 Å²	125.6	83%	0.832	70%	0.701	S	S	*	*			trans	-68	117.9	164.4	-79.9	-170.4	163.5	0	0	109.2	T628 N632	T628-E630 PolarHBondContact O-N 3.39Å; E630-N632 PolarHBondContact O-N 3.18Å; E630-N632 VanDerWaalsContact O-N 3.07Å
631	A	29.5	Very low	39.9	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	73%	0.731	S	S	*	*			trans	-48.9	109.8	172.6	0	0	0	0	0	110.8	P629	P629-A631 PolarHBondContact O-N 3.36Å
632	N	32.2	Very low	37.7	Very low	147 Å²	147	132.3 Å²	132.3	79%	0.786	74%	0.742	S	S	*	*			trans	-145.1	109.5	152.9	-89.9	-40.6	0	0	0	109.9	E630 S634	E630-N632 PolarHBondContact O-N 3.18Å; E630-N632 VanDerWaalsContact O-N 3.07Å; N632-S634 PolarHBondContact O-N 3.25Å
633	S	28.8	Very low	36	Very low	118 Å²	118	128 Å²	128	83%	0.825	75%	0.746	S	S	*	*			trans	-42.8	110	165.9	50.7	0	0	0	0	112.4
634	S	34.3	Very low	34.3	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	77%	0.769	S	S	*	*			trans	-170.4	135.1	141.6	44.9	0	0	0	0	109.7	N632 S636	N632-S634 PolarHBondContact O-N 3.25Å; S634-S636 PolarHBondContact O-N 2.82Å
635	N	28.4	Very low	33.3	Very low	173 Å²	173	137.3 Å²	137.3	93%	0.925	79%	0.785	S	S	*	*			trans	-52.2	122	-178.2	-68	-38.5	0	0	0	113.1
636	S	33.8	Very low	32.8	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	82%	0.817	S	S	*	*			trans	-167.4	113.2	145.5	55.8	0	0	0	0	111.3	S634	S634-S636 PolarHBondContact O-N 2.82Å
637	S	29.6	Very low	32.3	Very low	126 Å²	126	142.8 Å²	142.8	88%	0.881	83%	0.825	S	S	*	*			trans	-86.4	134.4	165.6	-29.9	0	0	0	0	109.2
638	P	34.3	Very low	32.1	Very low	101 Å²	101	142.9 Å²	142.9	66%	0.656	83%	0.83	S	S	*	*			trans	-127.8	124.2	161	37.4	-23.5	0	0	0	108.6
639	F	34.8	Very low	32.1	Very low	182 Å²	182	144.9 Å²	144.9	80%	0.798	84%	0.84	S	S	*	*			cis	-150.1	121.6	28.2	-83.7	-99.5	0	0	0	108.9	L641	F639-L641 HydrophobicContact CD1-CD1 4.34Å
640	R	29.3	Very low	32.1	Very low	237 Å²	237	145.9 Å²	145.9	89%	0.894	84%	0.84	S	S	*	*			trans	-113	113.4	150.1	-88.2	-174.4	176.1	-178.9	-1	105.5
641	L	34.2	Very low	32	Very low	153 Å²	153	143.9 Å²	143.9	80%	0.801	84%	0.84	S	S	*	*			trans	-109.7	87.1	162	-81.7	165.6	0	0	0	107.7	F639	F639-L641 HydrophobicContact CD1-CD1 4.34Å
642	N	29.4	Very low	32.2	Very low	151 Å²	151	147.3 Å²	147.3	81%	0.807	85%	0.845	S	S	*	*			trans	-69.6	129.2	146.4	-83	-14.2	0	0	0	106.9
643	G	32.8	Very low	32.2	Very low	79 Å²	79	147.3 Å²	147.3	81%	0.814	85%	0.849	S	S	*	*			trans	-146.1	70.9	172.9	0	0	0	0	0	109.7
644	S	30.1	Very low	32.5	Very low	98 Å²	98	149.5 Å²	149.5	69%	0.685	85%	0.851	S	S	*	*			trans	-79.2	119.9	159	49.9	0	0	0	0	108.8
645	Y	36.7	Very low	32.3	Very low	228 Å²	228	152.6 Å²	152.6	89%	0.894	86%	0.856	S	S	*	*			trans	-160.7	122.1	148.7	-88.1	-71	0	0	0	109.3
646	S	34.4	Very low	32.7	Very low	194 Å²	194	150.7 Å²	150.7	100%	1.357	85%	0.85	S	S	*	*			trans	49.2	0	167.6	66.6	0	0	0	0	119.8

Retrieved 646 of 646 residues in 198.9 ms (Link to these results)

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