A0A087XN00_POEFO Loading...

Methionyl-tRNA formyltransferase, mitochondrial

Methionyl-tRNA formyltransferase that formylates methionyl-tRNA in mitochondria and is crucial for translation initiation.

AlphaFold DB , UniProt , Accession A0A087XN00, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	38.6	Very low	235 Å²	235	154 Å²	154	100%	1.158	71%	0.71	S	S	*	*				0	93.3	0	-163	173.3	79.1	0	0	108.2
2	W	27.8	Very low	38.7	Very low	256 Å²	256	150.2 Å²	150.2	97%	0.97	70%	0.698	S	S	*	*			trans	174	86.6	158.1	-109.7	57.6	0	0	0	104.5
3	M	31	Very low	39	Very low	179 Å²	179	151.2 Å²	151.2	88%	0.882	70%	0.699	S	S	*	*			trans	-96.8	137	174.1	-86.7	169.4	153.2	0	0	108.3	R5	M3-R5 PolarHBondContact O-N 3.44Å
4	D	34.5	Very low	39.6	Very low	107 Å²	107	144.8 Å²	144.8	57%	0.572	68%	0.676	S	S	*	*			trans	-67.2	114.2	-176.2	-178.4	-0.4	0	0	0	111.5	K6 T7	D4-K6 PolarHBondContact O-N 2.85Å; D4-K6 PolarHBondContact OD1-N 3.3Å; D4-K6 VanDerWaalsContact OD1-N 3.11Å; D4-T7 PolarHBondContact O-N 3.14Å; D4-T7 PolarHBondContact O-OG1 3.29Å
5	R	36.7	Very low	39.9	Very low	212 Å²	212	142 Å²	142	80%	0.8	67%	0.667	S	S	*	*	H	α-helix	trans	-61.2	-11.6	-177.6	-60.9	-174.8	-157.9	-158.3	4.7	114	M3	M3-R5 PolarHBondContact O-N 3.44Å
6	K	38.7	Very low	39.9	Very low	166 Å²	166	138.6 Å²	138.6	72%	0.722	65%	0.654	S	S	*	*	H	α-helix	trans	-77.5	-31.4	177	-78.2	-177.9	176.5	177.5	0	112.9	D4	D4-K6 PolarHBondContact O-N 2.85Å; D4-K6 PolarHBondContact OD1-N 3.3Å; D4-K6 VanDerWaalsContact OD1-N 3.11Å
7	T	43.1	Very low	40	Very low	83 Å²	83	140.6 Å²	140.6	51%	0.509	66%	0.656	S	S	.	*	H	α-helix	trans	-69.7	-36.7	179.8	-24.3	0	0	0	0	111.6	D4 R9 V10 L11	D4-T7 PolarHBondContact O-N 3.14Å; D4-T7 PolarHBondContact O-OG1 3.29Å; T7-R9 PolarHBondContact O-N 3.18Å; T7-V10 PolarHBondContact O-N 3.3Å; T7-L11 PolarHBondContact O-N 2.99Å
8	D	45	Very low	40.4	Very low	87 Å²	87	136.7 Å²	136.7	47%	0.465	64%	0.643	S	S	.	*	H	α-helix	trans	-65.7	-33.6	179	-73.9	-26.7	0	0	0	113.3	V10 L11 L12	D8-V10 PolarHBondContact O-N 3.13Å; D8-L11 PolarHBondContact O-N 3.47Å; D8-L12 WeakPolarHBondContact O-CB 3.45Å; D8-L12 WeakPolarHBondContact O-CD1 3.43Å; D8-L12 PolarHBondContact O-N 2.99Å
9	R	37.1	Very low	40.4	Very low	194 Å²	194	133.6 Å²	133.6	73%	0.732	63%	0.631	S	S	*	*	H	α-helix	trans	-71.8	-28.6	179.8	-82.5	-170.9	-177.7	-164.8	0.8	113.5	T7 K13	T7-R9 PolarHBondContact O-N 3.18Å; R9-K13 WeakPolarHBondContact O-CB 3.48Å; R9-K13 WeakPolarHBondContact O-CG 3.3Å; R9-K13 PolarHBondContact O-N 3.38Å
10	V	46.1	Very low	40.2	Very low	99 Å²	99	132.3 Å²	132.3	60%	0.6	63%	0.627	S	S	*	*	H	α-helix	trans	-76.9	-43.1	175.3	-179.5	0	0	0	0	109.4	T7 D8 L12 K13 T14	T7-V10 PolarHBondContact O-N 3.3Å; D8-V10 PolarHBondContact O-N 3.13Å; V10-L12 PolarHBondContact O-N 3.04Å; V10-K13 PolarHBondContact O-N 3.35Å; V10-T14 PolarHBondContact O-N 3.48Å; V10-T14 PolarHBondContact O-OG1 3.22Å
11	L	46.2	Very low	40.4	Very low	76 Å²	76	131.2 Å²	131.2	40%	0.398	63%	0.629	S	S	.	*	H	α-helix	trans	-58.1	-45.4	173.2	-100.9	138.1	0	0	0	113.1	T7 D8 K13 T14 L15 L65	T7-L11 PolarHBondContact O-N 2.99Å; D8-L11 PolarHBondContact O-N 3.47Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-K13 PolarHBondContact O-N 3.29Å; L11-T14 PolarHBondContact O-N 2.91Å; L11-L15 PolarHBondContact O-N 3.16Å; L11-L65 HydrophobicContact CD2-CD1 4.39Å
12	L	40	Very low	40.4	Very low	108 Å²	108	126 Å²	126	57%	0.565	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-32.7	175.8	-88.1	151.8	0	0	0	113.1	D8 V10 N16	D8-L12 WeakPolarHBondContact O-CB 3.45Å; D8-L12 WeakPolarHBondContact O-CD1 3.43Å; D8-L12 PolarHBondContact O-N 2.99Å; V10-L12 PolarHBondContact O-N 3.04Å; L12-N16 WeakPolarHBondContact O-CB 3.34Å; L12-N16 PolarHBondContact O-N 3.38Å
13	K	42	Very low	40.5	Very low	164 Å²	164	121.3 Å²	121.3	71%	0.713	59%	0.592	S	S	*	*	H	α-helix	trans	-71.4	-37.9	174.3	-83.7	-177.1	174.5	-173.4	0	112.1	R9 V10 L11 N16 Y17	R9-K13 WeakPolarHBondContact O-CB 3.48Å; R9-K13 WeakPolarHBondContact O-CG 3.3Å; R9-K13 PolarHBondContact O-N 3.38Å; V10-K13 PolarHBondContact O-N 3.35Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-K13 PolarHBondContact O-N 3.29Å; K13-N16 PolarHBondContact O-N 3.2Å; K13-Y17 PolarHBondContact O-N 2.71Å
14	T	47.8	Very low	40.7	Very low	61 Å²	61	122.5 Å²	122.5	37%	0.374	59%	0.593	S	S	.	*	H	α-helix	trans	-67.3	-42.8	175.7	-51.7	0	0	0	0	111.3	V10 L11 N16 Y17 V18	V10-T14 PolarHBondContact O-N 3.48Å; V10-T14 PolarHBondContact O-OG1 3.22Å; L11-T14 PolarHBondContact O-N 2.91Å; T14-N16 PolarHBondContact O-N 3.3Å; T14-Y17 PolarHBondContact O-N 2.76Å; T14-V18 WeakPolarHBondContact O-CG2 3.25Å; T14-V18 PolarHBondContact O-N 2.88Å; T14-V18 VanDerWaalsContact O-N 3.15Å
15	L	43.7	Very low	40.5	Very low	103 Å²	103	122.8 Å²	122.8	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-61.2	-42.8	172.4	-108.9	119.2	0	0	0	112.2	L11 Y17 V18 L19	L11-L15 PolarHBondContact O-N 3.16Å; L15-Y17 VanDerWaalsContact C-N 3.33Å; L15-Y17 PolarHBondContact O-N 2.97Å; L15-V18 PolarHBondContact O-N 3.1Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CD1 3.27Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 2.99Å
16	N	39.9	Very low	40.3	Very low	87 Å²	87	118.6 Å²	118.6	47%	0.465	60%	0.603	S	S	.	*	H	α-helix	trans	-68.7	-28.7	177.8	-86.2	-21.3	0	0	0	113.5	L12 K13 T14 N20	L12-N16 WeakPolarHBondContact O-CB 3.34Å; L12-N16 PolarHBondContact O-N 3.38Å; K13-N16 PolarHBondContact O-N 3.2Å; T14-N16 PolarHBondContact O-N 3.3Å; N16-N20 WeakPolarHBondContact O-CB 3.44Å; N16-N20 PolarHBondContact O-N 3.16Å; N16-N20 PolarHBondContact O-ND2 3.34Å
17	Y	41	Very low	39.9	Very low	174 Å²	174	116 Å²	116	68%	0.682	61%	0.606	S	S	*	*	H	α-helix	trans	-69.4	-43.3	173.8	-173.1	-102.4	0	0	0	111.1	K13 T14 L15 L19 N20 V21	K13-Y17 PolarHBondContact O-N 2.71Å; T14-Y17 PolarHBondContact O-N 2.76Å; L15-Y17 VanDerWaalsContact C-N 3.33Å; L15-Y17 PolarHBondContact O-N 2.97Å; Y17-L19 VanDerWaalsContact C-N 3.33Å; Y17-L19 PolarHBondContact O-N 3.3Å; Y17-N20 PolarHBondContact O-N 2.94Å; Y17-V21 WeakPolarHBondContact O-CG2 3.41Å; Y17-V21 PolarHBondContact O-N 2.83Å
18	V	47.6	Very low	39.5	Very low	70 Å²	70	117.8 Å²	117.8	42%	0.424	62%	0.619	S	S	.	*	H	α-helix	trans	-60.8	-42.2	173.3	175.8	0	0	0	0	111.1	T14 L15 N20	T14-V18 WeakPolarHBondContact O-CG2 3.25Å; T14-V18 PolarHBondContact O-N 2.88Å; T14-V18 VanDerWaalsContact O-N 3.15Å; L15-V18 PolarHBondContact O-N 3.1Å; V18-N20 PolarHBondContact O-N 3.37Å
19	L	40	Very low	39	Very low	78 Å²	78	118.8 Å²	118.8	41%	0.408	63%	0.633	S	S	.	*	H	α-helix	trans	-70.4	-28.4	178.6	-71.6	165.7	0	0	0	114	L15 Y17	L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CD1 3.27Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 2.99Å; Y17-L19 VanDerWaalsContact C-N 3.33Å; Y17-L19 PolarHBondContact O-N 3.3Å
20	N	36.8	Very low	38.6	Very low	106 Å²	106	115.7 Å²	115.7	57%	0.567	64%	0.635	S	S	*	*	H	α-helix	trans	-80.5	-23.4	-179.8	-85.7	-24	0	0	0	113.7	N16 Y17 V18 L22	N16-N20 WeakPolarHBondContact O-CB 3.44Å; N16-N20 PolarHBondContact O-N 3.16Å; N16-N20 PolarHBondContact O-ND2 3.34Å; Y17-N20 PolarHBondContact O-N 2.94Å; V18-N20 PolarHBondContact O-N 3.37Å; N20-L22 PolarHBondContact O-N 3.22Å
21	V	44.3	Very low	38.1	Very low	111 Å²	111	123 Å²	123	67%	0.673	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-12.3	173.2	176.7	0	0	0	0	111.8	Y17	Y17-V21 WeakPolarHBondContact O-CG2 3.41Å; Y17-V21 PolarHBondContact O-N 2.83Å
22	L	39.8	Very low	37.4	Very low	124 Å²	124	125 Å²	125	65%	0.649	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	3.3	-175.5	-69.8	168.6	0	0	0	115.6	N20 F24	N20-L22 PolarHBondContact O-N 3.22Å; L22-F24 PolarHBondContact O-N 2.94Å
23	K	30.3	Very low	37.5	Very low	159 Å²	159	129.8 Å²	129.8	69%	0.691	69%	0.687	S	S	*	*			trans	-95.3	90.3	-178.1	-69.5	-175.4	-179.1	173.6	0	112.4
24	F	33.4	Very low	37.2	Very low	204 Å²	204	126.8 Å²	126.8	90%	0.895	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-67.7	127.5	154.8	-99.3	-95.1	0	0	0	109.3	L22	L22-F24 PolarHBondContact O-N 2.94Å
25	S	31.9	Very low	36.6	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-67	131.6	172.4	-59.7	0	0	0	0	111
26	P	32	Very low	36	Very low	124 Å²	124	131 Å²	131	81%	0.805	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-96.5	125.7	168	31.8	-23.7	0	0	0	111.1
27	S	29.3	Very low	35.9	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-78.1	158.2	157.8	-52.9	0	0	0	0	110
28	P	35.4	Very low	35.8	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-87.1	147.4	-155.8	32.7	-32.9	0	0	0	115
29	S	34.4	Very low	35.5	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	75%	0.751	S	S	*	*			trans	58.8	117	151.8	61.6	0	0	0	0	120
30	V	28.7	Very low	35.8	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	77%	0.769	S	S	*	*				-152.4	128.8	114.8	173.9	0	0	0	0	108	T32	V30-T32 HydrophobicContact CG1-CG2 4.31Å; V30-T32 PolarHBondContact O-N 3.49Å
31	R	36.6	Very low	36.5	Very low	253 Å²	253	135.4 Å²	135.4	96%	0.955	78%	0.778	S	S	*	*			trans	-76.1	113.9	168.3	-92.7	-177.6	179.3	-172	0.3	108.8
32	T	31.2	Very low	37.2	Very low	117 Å²	117	139.7 Å²	139.7	72%	0.718	78%	0.783	S	S	*	*			trans	-134.6	124.7	157.3	40.6	0	0	0	0	108.5	V30 S34	V30-T32 HydrophobicContact CG1-CG2 4.31Å; V30-T32 PolarHBondContact O-N 3.49Å; T32-S34 PolarHBondContact O-N 3.4Å; T32-S34 VanDerWaalsContact O-N 3.14Å
33	Q	42.2	Very low	38.7	Very low	209 Å²	209	138.2 Å²	138.2	98%	0.977	78%	0.775	S	S	*	*			trans	-54.9	115.8	171.5	-69.8	172.5	-7.8	0	0	108.3
34	S	34.1	Very low	41.6	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	75%	0.754	S	S	*	*			trans	-120.8	122.8	177.7	-170.8	0	0	0	0	108.5	T32 C36	T32-S34 PolarHBondContact O-N 3.4Å; T32-S34 VanDerWaalsContact O-N 3.14Å; S34-C36 PolarHBondContact O-N 3.37Å
35	T	36.7	Very low	44.6	Very low	125 Å²	125	123 Å²	123	77%	0.767	71%	0.712	S	S	*	*			trans	-54.9	120.1	172.6	42.6	0	0	0	0	109.4	K37	T35-K37 PolarHBondContact O-N 3.11Å
36	C	31.1	Very low	47.7	Very low	129 Å²	129	121 Å²	121	87%	0.872	69%	0.688	S	S	*	*			trans	-61.9	96.5	176.7	-67.6	0	0	0	0	109.6	S34	S34-C36 PolarHBondContact O-N 3.37Å
37	K	36.4	Very low	50.8	Low	185 Å²	185	115.1 Å²	115.1	80%	0.804	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-65.5	131.3	157.1	-71.1	-174.3	178.2	-179	0	107	T35 G39	T35-K37 PolarHBondContact O-N 3.11Å; K37-G39 PolarHBondContact O-N 3.29Å
38	P	39.4	Very low	54.1	Low	127 Å²	127	109.9 Å²	109.9	83%	0.825	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-59.5	125	172.2	23.9	-29.7	0	0	0	107.8
39	G	41.7	Very low	57.1	Low	56 Å²	56	104.1 Å²	104.1	58%	0.577	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-57.9	165.8	170.9	0	0	0	0	0	110.8	K37	K37-G39 PolarHBondContact O-N 3.29Å
40	P	46.3	Very low	60.2	Low	121 Å²	121	99 Å²	99	79%	0.786	54%	0.54	S	S	*	.	S	Bend	trans	-53	143.9	176.1	23.2	-32.3	0	0	0	110.3	R42	P40-R42 PolarHBondContact O-N 3Å
41	P	51.3	Low	63.5	Low	118 Å²	118	92.9 Å²	92.9	77%	0.766	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-55.3	131.6	-177.1	20.8	-30.8	0	0	0	110.1	L43	P41-L43 PolarHBondContact O-N 3.46Å
42	R	58.3	Low	66.4	Low	201 Å²	201	81.8 Å²	81.8	76%	0.758	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-63.1	118.5	173.5	-72.7	-174.8	176.8	-168.9	-1	108	P40 S44 N70	P40-R42 PolarHBondContact O-N 3Å; R42-S44 PolarHBondContact O-N 2.96Å; R42-N70 PolarHBondContact NH1-O 3.03Å
43	L	73.1	Confident	69.5	Low	93 Å²	93	79.1 Å²	79.1	49%	0.487	44%	0.444	S	S	.	.			trans	-72.8	108.7	176.9	-70.8	164.8	0	0	0	108.8	P41 W45 P217	P41-L43 PolarHBondContact O-N 3.46Å; L43-W45 HydrophobicContact CB-CZ2 4.26Å; L43-W45 HydrophobicContact CD1-CZ2 4.39Å; L43-W45 HydrophobicContact CD2-CH2 4.3Å; L43-W45 HydrophobicContact CD2-CZ2 4.48Å; L43-P217 HydrophobicContact CD1-CG 4.19Å
44	S	90.5	Very high	72.1	Confident	35 Å²	35	74.2 Å²	74.2	25%	0.245	42%	0.421	C	S	.	.			trans	-111.9	133	170.4	-162.6	0	0	0	0	108.8	R42 G72 E75	R42-S44 PolarHBondContact O-N 2.96Å; S44-G72 VanDerWaalsContact CA-O 3.24Å; S44-G72 WeakPolarHBondContact CA-O 3.49Å; S44-G72 WeakPolarHBondContact CB-O 3.01Å; S44-G72 PolarHBondContact OG-O 3.1Å; S44-E75 WeakPolarHBondContact OG-CA 3.4Å; S44-E75 VanDerWaalsContact OG-CB 3.28Å; S44-E75 WeakPolarHBondContact OG-CB 3.5Å; S44-E75 PolarHBondContact OG-N 3.32Å
45	W	95.7	Very high	75.1	Confident	8 Å²	8	70.4 Å²	70.4	3%	0.03	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.4	-172	-59	111.5	0	0	0	112.3	L43 L47 I73 E75 K76 D112 V113 F133 L213 L216 P217	L43-W45 HydrophobicContact CB-CZ2 4.26Å; L43-W45 HydrophobicContact CD1-CZ2 4.39Å; L43-W45 HydrophobicContact CD2-CH2 4.3Å; L43-W45 HydrophobicContact CD2-CZ2 4.48Å; W45-L47 HydrophobicContact CB-CD2 3.63Å; W45-L47 HydrophobicContact CB-CG 3.93Å; W45-L47 HydrophobicContact CG-CD2 4.44Å; W45-I73 VanDerWaalsContact CD1-O 3.26Å; W45-I73 PolarHBondContact N-O 3.36Å; W45-E75 PolarHBondContact O-N 3.15Å; W45-K76 PolarHBondContact O-N 3.45Å; W45-D112 HydrophobicContact CE3-CB 3.9Å; W45-D112 HydrophobicContact CZ3-CB 4.35Å; W45-V113 HydrophobicContact CD2-CG2 4.03Å; W45-V113 HydrophobicContact CE3-CG2 3.64Å; W45-V113 HydrophobicContact CG-CG2 4.46Å; W45-V113 HydrophobicContact CZ3-CG2 4.16Å; W45-F133 HydrophobicContact CE3-CD2 4.5Å; W45-F133 HydrophobicContact CH2-CD1 4.22Å; W45-F133 HydrophobicContact CH2-CD2 4.31Å; W45-F133 AromaticContact CH2-CE1 3.95Å; W45-F133 HydrophobicContact CH2-CE1 3.95Å; W45-F133 HydrophobicContact CH2-CE2 4.07Å; W45-F133 HydrophobicContact CH2-CG 4.4Å; W45-F133 AromaticContact CH2-CZ 3.87Å; W45-F133 HydrophobicContact CH2-CZ 3.87Å; W45-F133 HydrophobicContact CZ3-CD1 4.35Å; W45-F133 AromaticContact CZ3-CD2 3.65Å; W45-F133 HydrophobicContact CZ3-CD2 3.65Å; W45-F133 HydrophobicContact CZ3-CE1 4.2Å; W45-F133 AromaticContact CZ3-CE2 3.5Å; W45-F133 HydrophobicContact CZ3-CE2 3.5Å; W45-F133 VanDerWaalsContact CZ3-CE2 3.5Å; W45-F133 HydrophobicContact CZ3-CG 4.1Å; W45-F133 AromaticContact CZ3-CZ 3.78Å; W45-F133 HydrophobicContact CZ3-CZ 3.78Å; W45-L213 PolarHBondContact NE1-O 3.27Å; W45-L216 HydrophobicContact CH2-CB 4.3Å; W45-L216 HydrophobicContact CH2-CD2 4.18Å; W45-L216 HydrophobicContact CZ2-CB 3.76Å; W45-L216 HydrophobicContact CZ2-CD2 4.13Å; W45-P217 HydrophobicContact CH2-CG 4.34Å
46	R	97	Very high	78.1	Confident	72 Å²	72	64.4 Å²	64.4	27%	0.272	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	107.8	164.1	-56.5	172	-63.7	157.8	3.4	108.9	E75 K76 G109 F111 D112 V113	R46-E75 HydrophobicContact CG-CB 4.27Å; R46-K76 HydrophobicContact CB-CB 3.91Å; R46-K76 HydrophobicContact CB-CD 4.44Å; R46-K76 HydrophobicContact CG-CB 3.87Å; R46-G109 PolarHBondContact NH1-O 3.29Å; R46-G109 VanDerWaalsContact NH1-O 3.08Å; R46-F111 HydrophobicContact CB-CD1 4.46Å; R46-F111 CarbonylContact O-C 3.5Å; R46-F111 WeakPolarHBondContact O-CA 3.23Å; R46-F111 WeakPolarHBondContact O-CB 3.36Å; R46-D112 VanDerWaalsContact CB-OD2 3.27Å; R46-D112 WeakPolarHBondContact CB-OD2 3.47Å; R46-D112 WeakPolarHBondContact CG-OD2 3.27Å; R46-D112 IonicContact CZ-OD1 3.32Å; R46-D112 IonicContact CZ-OD2 3.26Å; R46-D112 PolarHBondContact N-OD2 2.91Å; R46-D112 IonicContact NE-OD1 2.78Å; R46-D112 PolarHBondContact NE-OD1 2.83Å; R46-D112 IonicContact NE-OD2 2.72Å; R46-D112 PolarHBondContact NE-OD2 3.21Å; R46-D112 IonicContact NH2-OD1 2.87Å; R46-D112 PolarHBondContact NH2-OD1 3.1Å; R46-D112 IonicContact NH2-OD2 3.75Å; R46-D112 PolarHBondContact O-N 2.89Å; R46-V113 PolarHBondContact O-N 3.47Å
47	L	97.9	Very high	81.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.6	-169.7	-58.6	178.5	0	0	0	112.4	W45 L63 V74 K76 L77 E78 F111 V113 V115 L213	W45-L47 HydrophobicContact CB-CD2 3.63Å; W45-L47 HydrophobicContact CB-CG 3.93Å; W45-L47 HydrophobicContact CG-CD2 4.44Å; L47-L63 HydrophobicContact CD1-CD1 4.18Å; L47-L63 HydrophobicContact CD1-CD2 3.9Å; L47-V74 HydrophobicContact CD1-CG1 4.1Å; L47-V74 HydrophobicContact CD1-CG2 3.92Å; L47-K76 PolarHBondContact N-O 3.49Å; L47-L77 HydrophobicContact CB-CD1 3.97Å; L47-L77 HydrophobicContact CD1-CD1 4.5Å; L47-E78 PolarHBondContact O-N 2.97Å; L47-E78 VanDerWaalsContact O-N 3.1Å; L47-F111 VanDerWaalsContact C-CD1 3.44Å; L47-F111 WeakPolarHBondContact O-CD1 3.48Å; L47-F111 WeakPolarHBondContact O-CE1 3.35Å; L47-V113 WeakPolarHBondContact CA-O 3.34Å; L47-V113 HydrophobicContact CD2-CB 3.72Å; L47-V113 HydrophobicContact CD2-CG2 4.04Å; L47-V115 HydrophobicContact CD2-CG2 4.38Å; L47-L213 HydrophobicContact CD1-CD1 4.01Å; L47-L213 HydrophobicContact CD2-CD2 4.22Å
48	L	98.4	Very high	84.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.9	161.9	-167.7	60.1	0	0	0	109.5	F50 E78 V80 P104 V107 F111 V113 G114 V115 F131	L48-F50 HydrophobicContact CB-CE2 4.19Å; L48-F50 HydrophobicContact CD2-CE1 4.38Å; L48-F50 HydrophobicContact CD2-CE2 4.1Å; L48-F50 HydrophobicContact CD2-CZ 3.64Å; L48-F50 HydrophobicContact CG-CE2 3.94Å; L48-F50 HydrophobicContact CG-CZ 3.94Å; L48-F50 WeakPolarHBondContact O-CD2 3.26Å; L48-F50 WeakPolarHBondContact O-CE2 3.24Å; L48-E78 HydrophobicContact CD1-CB 3.91Å; L48-V80 HydrophobicContact CD1-CG2 3.69Å; L48-V80 HydrophobicContact CD2-CG2 3.82Å; L48-V80 HydrophobicContact CG-CG2 3.73Å; L48-P104 HydrophobicContact CD2-CB 4.4Å; L48-P104 HydrophobicContact CD2-CG 4.37Å; L48-V107 HydrophobicContact CD2-CG1 4.19Å; L48-V107 HydrophobicContact CD2-CG2 3.97Å; L48-F111 HydrophobicContact CB-CB 4.42Å; L48-F111 HydrophobicContact CB-CD1 3.98Å; L48-F111 HydrophobicContact CB-CD2 4.05Å; L48-F111 HydrophobicContact CB-CE1 4.22Å; L48-F111 HydrophobicContact CB-CE2 4.29Å; L48-F111 HydrophobicContact CB-CG 3.89Å; L48-F111 HydrophobicContact CB-CZ 4.36Å; L48-F111 HydrophobicContact CD1-CE1 4.22Å; L48-F111 HydrophobicContact CD1-CE2 4.09Å; L48-F111 HydrophobicContact CD1-CZ 3.84Å; L48-F111 HydrophobicContact CD2-CD2 4.28Å; L48-F111 HydrophobicContact CD2-CE2 4.17Å; L48-F111 HydrophobicContact CG-CE2 4.43Å; L48-V113 PolarHBondContact N-O 2.99Å; L48-G114 WeakPolarHBondContact O-CA 3.48Å; L48-V115 PolarHBondContact O-N 3.31Å; L48-F131 HydrophobicContact CB-CE1 3.77Å; L48-F131 HydrophobicContact CB-CZ 3.96Å; L48-F131 HydrophobicContact CD2-CE1 4.48Å; L48-F131 HydrophobicContact CD2-CZ 3.92Å
49	F	98.6	Very high	87.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.5	-176.5	-174.9	-86.9	0	0	0	111.3	A56 L60 L63 L77 E78 V79 V80 V88 V115 V117	F49-A56 HydrophobicContact CE1-CB 4.27Å; F49-A56 HydrophobicContact CZ-CB 4.14Å; F49-A56 WeakPolarHBondContact CZ-O 3.27Å; F49-L60 HydrophobicContact CB-CD1 4.26Å; F49-L60 HydrophobicContact CD1-CB 4.43Å; F49-L60 HydrophobicContact CD1-CD1 3.98Å; F49-L60 HydrophobicContact CD1-CD2 4.4Å; F49-L60 HydrophobicContact CD2-CD1 4.35Å; F49-L60 HydrophobicContact CE1-CB 4.04Å; F49-L60 HydrophobicContact CE1-CD1 4.43Å; F49-L60 HydrophobicContact CE1-CD2 4.43Å; F49-L60 HydrophobicContact CE2-CB 4.39Å; F49-L60 HydrophobicContact CG-CD1 3.93Å; F49-L60 HydrophobicContact CZ-CB 4.03Å; F49-L63 HydrophobicContact CD2-CD1 3.83Å; F49-L63 HydrophobicContact CE2-CD1 4.24Å; F49-L77 HydrophobicContact CB-CD1 4.1Å; F49-E78 PolarHBondContact N-O 3.41Å; F49-V79 HydrophobicContact CB-CG2 4.49Å; F49-V79 HydrophobicContact CD1-CG1 4.49Å; F49-V79 CarbonylContact O-C 3.53Å; F49-V79 WeakPolarHBondContact O-CA 3.21Å; F49-V80 PolarHBondContact O-N 3.48Å; F49-V88 HydrophobicContact CE1-CG1 4.47Å; F49-V115 CarbonylContact C-O 3.58Å; F49-V115 WeakPolarHBondContact CA-O 3.49Å; F49-V115 HydrophobicContact CD2-CB 4.08Å; F49-V115 HydrophobicContact CD2-CG1 3.81Å; F49-V115 HydrophobicContact CE2-CG1 3.94Å; F49-V117 HydrophobicContact CE2-CB 4.33Å; F49-V117 HydrophobicContact CE2-CG2 3.7Å; F49-V117 HydrophobicContact CZ-CB 3.95Å; F49-V117 HydrophobicContact CZ-CG2 3.84Å
50	F	98.6	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117	178	-57.7	-100.7	0	0	0	109.4	L48 V80 W102 P104 V115 V116 V117 F119 L123 L127 F131	L48-F50 HydrophobicContact CB-CE2 4.19Å; L48-F50 HydrophobicContact CD2-CE1 4.38Å; L48-F50 HydrophobicContact CD2-CE2 4.1Å; L48-F50 HydrophobicContact CD2-CZ 3.64Å; L48-F50 HydrophobicContact CG-CE2 3.94Å; L48-F50 HydrophobicContact CG-CZ 3.94Å; L48-F50 WeakPolarHBondContact O-CD2 3.26Å; L48-F50 WeakPolarHBondContact O-CE2 3.24Å; F50-V80 WeakPolarHBondContact CA-O 3.39Å; F50-V80 HydrophobicContact CD1-CB 3.5Å; F50-V80 HydrophobicContact CD1-CG1 3.73Å; F50-V80 HydrophobicContact CD1-CG2 3.83Å; F50-V80 HydrophobicContact CE1-CB 3.81Å; F50-V80 HydrophobicContact CE1-CG1 3.94Å; F50-V80 HydrophobicContact CE1-CG2 3.61Å; F50-V80 HydrophobicContact CG-CB 4.18Å; F50-V80 HydrophobicContact CZ-CG2 4.15Å; F50-W102 HydrophobicContact CD1-CE3 4.31Å; F50-W102 HydrophobicContact CD1-CZ3 4.03Å; F50-W102 HydrophobicContact CE1-CE3 4.26Å; F50-W102 AromaticContact CE1-CZ3 3.82Å; F50-W102 HydrophobicContact CE1-CZ3 3.82Å; F50-P104 HydrophobicContact CE1-CG 4.07Å; F50-P104 HydrophobicContact CZ-CG 4.44Å; F50-V115 PolarHBondContact N-O 3.41Å; F50-V116 HydrophobicContact CB-CB 4.45Å; F50-V116 HydrophobicContact CB-CG2 3.87Å; F50-V116 HydrophobicContact CD2-CG2 3.94Å; F50-V116 HydrophobicContact CG-CG2 4.08Å; F50-V116 WeakPolarHBondContact O-CA 3.3Å; F50-V117 PolarHBondContact O-N 3.4Å; F50-F119 HydrophobicContact CB-CB 4.21Å; F50-F119 HydrophobicContact CB-CD1 4.12Å; F50-F119 HydrophobicContact CB-CD2 3.95Å; F50-F119 HydrophobicContact CB-CE2 4.35Å; F50-F119 HydrophobicContact CB-CG 3.83Å; F50-F119 HydrophobicContact CD1-CD1 4.47Å; F50-F119 HydrophobicContact CD1-CE1 4.11Å; F50-F119 HydrophobicContact CD1-CZ 4.18Å; F50-L123 HydrophobicContact CE1-CD2 4.5Å; F50-L123 HydrophobicContact CZ-CD2 4.44Å; F50-L127 HydrophobicContact CE1-CD2 4.06Å; F50-L127 HydrophobicContact CZ-CD2 4.11Å; F50-F131 HydrophobicContact CE2-CZ 4.18Å; F50-F131 HydrophobicContact CZ-CZ 4.24Å
51	G	97.9	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	166.4	177.6	0	0	0	0	0	114.5	V80 T81 V88 V117	G51-V80 PolarHBondContact N-O 2.98Å; G51-T81 WeakPolarHBondContact O-CB 3.04Å; G51-T81 PolarHBondContact O-OG1 2.84Å; G51-V88 WeakPolarHBondContact O-CG1 3.49Å; G51-V117 WeakPolarHBondContact CA-O 3.26Å
52	T	97.6	Very high	94.5	Very high	21 Å²	21	36.6 Å²	36.6	13%	0.129	17%	0.169	C	C	.	.			trans	-132.3	-44.9	-176.1	62.6	0	0	0	0	114.6	L82 L86 P87 V88 S118 F119	T52-L82 HydrophobicContact CG2-CB 4.1Å; T52-L82 HydrophobicContact CG2-CD1 3.87Å; T52-L82 HydrophobicContact CG2-CG 3.69Å; T52-L86 HydrophobicContact CG2-CD1 4.03Å; T52-P87 VanDerWaalsContact O-CD 3.29Å; T52-P87 WeakPolarHBondContact O-CD 3.43Å; T52-V88 PolarHBondContact O-N 3.33Å; T52-S118 PolarHBondContact N-O 2.79Å; T52-S118 PolarHBondContact OG1-O 3.29Å; T52-F119 HydrophobicContact CG2-CD2 4.05Å
53	D	96.9	Very high	96.3	Very high	60 Å²	60	27.1 Å²	27.1	32%	0.321	13%	0.133	S	C	.	.	S	Bend	trans	-101.3	-175.1	-165.1	69.5	10.5	0	0	0	114.1	F55 A56 V57 S118	D53-F55 VanDerWaalsContact C-N 3.26Å; D53-F55 PolarHBondContact O-N 2.87Å; D53-F55 WeakPolarHBondContact OD1-CA 3.45Å; D53-F55 WeakPolarHBondContact OD1-CB 3.45Å; D53-F55 PolarHBondContact OD1-N 3.02Å; D53-A56 PolarHBondContact O-N 2.86Å; D53-A56 PolarHBondContact OD1-N 3.04Å; D53-V57 WeakPolarHBondContact O-CG2 3.26Å; D53-V57 PolarHBondContact O-N 3.14Å; D53-S118 WeakPolarHBondContact OD1-CB 3.37Å; D53-S118 PolarHBondContact OD1-OG 2.79Å; D53-S118 WeakPolarHBondContact OD2-CB 3.31Å; D53-S118 PolarHBondContact OD2-OG 3.1Å
54	Q	96.6	Very high	97.4	Very high	106 Å²	106	23 Å²	23	50%	0.495	11%	0.112	S	C	.	.	H	α-helix	trans	-65.7	-28.6	179.1	-170	59.2	45.4	0	0	112.9	V57 E58	Q54-V57 PolarHBondContact O-N 3.44Å; Q54-E58 PolarHBondContact NE2-OE1 3.05Å
55	F	98.1	Very high	97.6	Very high	20 Å²	20	25.9 Å²	25.9	9%	0.088	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-43.4	176.8	-176.4	-81.6	0	0	0	110.1	D53 V57 E58 V117 V138 P140 G198 L201 A202	D53-F55 VanDerWaalsContact C-N 3.26Å; D53-F55 PolarHBondContact O-N 2.87Å; D53-F55 WeakPolarHBondContact OD1-CA 3.45Å; D53-F55 WeakPolarHBondContact OD1-CB 3.45Å; D53-F55 PolarHBondContact OD1-N 3.02Å; F55-V57 VanDerWaalsContact C-N 3.33Å; F55-V57 PolarHBondContact O-N 3.19Å; F55-E58 PolarHBondContact O-N 2.64Å; F55-V117 HydrophobicContact CD1-CG1 3.57Å; F55-V117 HydrophobicContact CE1-CG1 3.69Å; F55-V138 HydrophobicContact CE1-CG1 4.42Å; F55-P140 HydrophobicContact CE1-CB 4.45Å; F55-P140 HydrophobicContact CE1-CG 4.13Å; F55-P140 HydrophobicContact CE2-CB 3.61Å; F55-P140 HydrophobicContact CE2-CG 3.84Å; F55-P140 HydrophobicContact CZ-CB 3.53Å; F55-P140 HydrophobicContact CZ-CG 3.66Å; F55-G198 WeakPolarHBondContact CD2-O 3.46Å; F55-L201 HydrophobicContact CE2-CB 3.98Å; F55-A202 HydrophobicContact CB-CB 4.36Å; F55-A202 HydrophobicContact CD2-CB 3.49Å; F55-A202 VanDerWaalsContact CD2-CB 3.49Å; F55-A202 HydrophobicContact CE2-CB 3.81Å; F55-A202 HydrophobicContact CG-CB 3.93Å; F55-A202 HydrophobicContact CZ-CB 4.47Å
56	A	98.6	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-34.7	175.4	0	0	0	0	0	113.7	F49 D53 E58 S59 L60 V88 V117	F49-A56 HydrophobicContact CE1-CB 4.27Å; F49-A56 HydrophobicContact CZ-CB 4.14Å; F49-A56 WeakPolarHBondContact CZ-O 3.27Å; D53-A56 PolarHBondContact O-N 2.86Å; D53-A56 PolarHBondContact OD1-N 3.04Å; A56-E58 VanDerWaalsContact C-N 3.26Å; A56-E58 PolarHBondContact O-N 3.03Å; A56-S59 PolarHBondContact O-N 3.2Å; A56-L60 PolarHBondContact O-N 2.84Å; A56-L60 VanDerWaalsContact O-N 3.1Å; A56-V88 HydrophobicContact CB-CG2 3.65Å; A56-V117 HydrophobicContact CB-CB 3.97Å; A56-V117 HydrophobicContact CB-CG1 4.02Å; A56-V117 VanDerWaalsContact CB-O 3.24Å; A56-V117 WeakPolarHBondContact CB-O 3.48Å
57	V	98.6	Very high	97.2	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-36.1	180	167.6	0	0	0	0	112.2	D53 Q54 F55 S59 L60 K61 P87 V88 F91	D53-V57 WeakPolarHBondContact O-CG2 3.26Å; D53-V57 PolarHBondContact O-N 3.14Å; Q54-V57 PolarHBondContact O-N 3.44Å; F55-V57 VanDerWaalsContact C-N 3.33Å; F55-V57 PolarHBondContact O-N 3.19Å; V57-S59 PolarHBondContact O-N 2.8Å; V57-L60 PolarHBondContact O-N 2.64Å; V57-K61 HydrophobicContact CG1-CD 3.94Å; V57-K61 HydrophobicContact CG1-CG 4.11Å; V57-K61 WeakPolarHBondContact O-CB 3.38Å; V57-K61 VanDerWaalsContact O-CG 3.3Å; V57-K61 WeakPolarHBondContact O-CG 3.49Å; V57-K61 PolarHBondContact O-N 3.17Å; V57-P87 HydrophobicContact CG2-CB 3.74Å; V57-V88 HydrophobicContact CG2-CG2 3.84Å; V57-F91 HydrophobicContact CG1-CB 4.4Å; V57-F91 HydrophobicContact CG1-CD2 4.08Å; V57-F91 HydrophobicContact CG1-CG 4.25Å; V57-F91 HydrophobicContact CG2-CB 4.38Å
58	E	98.6	Very high	96.6	Very high	43 Å²	43	32 Å²	32	20%	0.201	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-38.6	179.9	-60.7	-48.7	130.8	0	0	112.5	Q54 F55 A56 K61 L62 A202 I203 A206	Q54-E58 PolarHBondContact NE2-OE1 3.05Å; F55-E58 PolarHBondContact O-N 2.64Å; A56-E58 VanDerWaalsContact C-N 3.26Å; A56-E58 PolarHBondContact O-N 3.03Å; E58-K61 IonicContact OE1-NZ 3.35Å; E58-K61 PolarHBondContact OE1-NZ 2.96Å; E58-K61 WeakPolarHBondContact OE2-CD 3.44Å; E58-K61 IonicContact OE2-NZ 3.48Å; E58-K61 PolarHBondContact OE2-NZ 2.93Å; E58-L62 PolarHBondContact O-N 3.02Å; E58-A202 HydrophobicContact CB-CB 3.98Å; E58-A202 HydrophobicContact CG-CB 3.69Å; E58-I203 HydrophobicContact CG-CG1 4.43Å; E58-A206 HydrophobicContact CB-CB 4.47Å; E58-A206 WeakPolarHBondContact O-CB 3.35Å
59	S	98.6	Very high	95.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-44.9	172.7	-64.4	0	0	0	0	111.2	A56 V57 K61 L62 L63	A56-S59 PolarHBondContact O-N 3.2Å; V57-S59 PolarHBondContact O-N 2.8Å; S59-K61 PolarHBondContact O-N 3.46Å; S59-L62 PolarHBondContact O-N 2.95Å; S59-L63 WeakPolarHBondContact O-CG 3.41Å; S59-L63 PolarHBondContact O-N 2.6Å
60	L	98.4	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-38.5	-179.8	-174	59.8	0	0	0	112.8	F49 A56 V57 N64 L77 V79 V88 F91 L97	F49-L60 HydrophobicContact CB-CD1 4.26Å; F49-L60 HydrophobicContact CD1-CB 4.43Å; F49-L60 HydrophobicContact CD1-CD1 3.98Å; F49-L60 HydrophobicContact CD1-CD2 4.4Å; F49-L60 HydrophobicContact CD2-CD1 4.35Å; F49-L60 HydrophobicContact CE1-CB 4.04Å; F49-L60 HydrophobicContact CE1-CD1 4.43Å; F49-L60 HydrophobicContact CE1-CD2 4.43Å; F49-L60 HydrophobicContact CE2-CB 4.39Å; F49-L60 HydrophobicContact CG-CD1 3.93Å; F49-L60 HydrophobicContact CZ-CB 4.03Å; A56-L60 PolarHBondContact O-N 2.84Å; A56-L60 VanDerWaalsContact O-N 3.1Å; V57-L60 PolarHBondContact O-N 2.64Å; L60-N64 VanDerWaalsContact O-CB 3.3Å; L60-N64 WeakPolarHBondContact O-CB 3.24Å; L60-N64 PolarHBondContact O-N 2.9Å; L60-L77 HydrophobicContact CD1-CD1 4.29Å; L60-L77 HydrophobicContact CD1-CD2 3.95Å; L60-L77 HydrophobicContact CD1-CG 4.29Å; L60-V79 HydrophobicContact CD1-CG2 3.78Å; L60-V79 HydrophobicContact CD2-CG2 3.95Å; L60-V88 HydrophobicContact CD2-CG1 3.97Å; L60-F91 HydrophobicContact CB-CD1 4.42Å; L60-F91 HydrophobicContact CB-CE1 4.48Å; L60-F91 HydrophobicContact CD2-CD1 3.56Å; L60-F91 HydrophobicContact CD2-CE1 4.19Å; L60-F91 HydrophobicContact CD2-CG 4.5Å; L60-F91 HydrophobicContact CG-CD1 3.76Å; L60-F91 HydrophobicContact CG-CE1 3.87Å; L60-L97 HydrophobicContact CD1-CD1 3.96Å; L60-L97 HydrophobicContact CD2-CD1 4.24Å; L60-L97 HydrophobicContact CG-CD1 4.14Å
61	K	98.1	Very high	93	Very high	70 Å²	70	45.9 Å²	45.9	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-55.8	-53	173.2	-81.5	167.8	175.8	172.7	0	111.2	V57 E58 S59 N64 L65 F91	V57-K61 HydrophobicContact CG1-CD 3.94Å; V57-K61 HydrophobicContact CG1-CG 4.11Å; V57-K61 WeakPolarHBondContact O-CB 3.38Å; V57-K61 VanDerWaalsContact O-CG 3.3Å; V57-K61 WeakPolarHBondContact O-CG 3.49Å; V57-K61 PolarHBondContact O-N 3.17Å; E58-K61 IonicContact OE1-NZ 3.35Å; E58-K61 PolarHBondContact OE1-NZ 2.96Å; E58-K61 WeakPolarHBondContact OE2-CD 3.44Å; E58-K61 IonicContact OE2-NZ 3.48Å; E58-K61 PolarHBondContact OE2-NZ 2.93Å; S59-K61 PolarHBondContact O-N 3.46Å; K61-N64 PolarHBondContact O-N 3.08Å; K61-L65 WeakPolarHBondContact O-CG 3.41Å; K61-L65 PolarHBondContact O-N 2.91Å; K61-F91 HydrophobicContact CB-CE2 4.37Å; K61-F91 HydrophobicContact CB-CZ 4.09Å; K61-F91 HydrophobicContact CD-CE2 4.28Å; K61-F91 HydrophobicContact CG-CD2 4.01Å; K61-F91 HydrophobicContact CG-CE1 4.3Å; K61-F91 HydrophobicContact CG-CE2 3.26Å; K61-F91 HydrophobicContact CG-CZ 3.43Å; K61-F91 VanDerWaalsContact CG-CZ 3.43Å
62	L	97.3	Very high	91.6	Very high	33 Å²	33	47 Å²	47	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-43.8	-176.6	-172.6	60.1	0	0	0	111.4	E58 S59 N64 L65 C66 A206 L210	E58-L62 PolarHBondContact O-N 3.02Å; S59-L62 PolarHBondContact O-N 2.95Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 2.73Å; L62-L65 WeakPolarHBondContact O-CB 3.23Å; L62-L65 PolarHBondContact O-N 3.46Å; L62-C66 PolarHBondContact O-N 2.82Å; L62-C66 PolarHBondContact O-SG 3.08Å; L62-A206 HydrophobicContact CB-CB 4.26Å; L62-A206 HydrophobicContact CD2-CB 4.04Å; L62-A206 WeakPolarHBondContact CD2-O 3.14Å; L62-L210 HydrophobicContact CD1-CD2 4.34Å; L62-L210 HydrophobicContact CD2-CB 4.03Å; L62-L210 HydrophobicContact CD2-CD2 3.93Å; L62-L210 HydrophobicContact CG-CD2 4.07Å
63	L	97.3	Very high	91.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-41.5	175.5	-66.7	175.9	0	0	0	112.4	L47 F49 S59 C66 R67 V74 L77 L209 L213	L47-L63 HydrophobicContact CD1-CD1 4.18Å; L47-L63 HydrophobicContact CD1-CD2 3.9Å; F49-L63 HydrophobicContact CD2-CD1 3.83Å; F49-L63 HydrophobicContact CE2-CD1 4.24Å; S59-L63 WeakPolarHBondContact O-CG 3.41Å; S59-L63 PolarHBondContact O-N 2.6Å; L63-C66 PolarHBondContact O-N 3.02Å; L63-R67 PolarHBondContact O-N 3.47Å; L63-V74 HydrophobicContact CD2-CG2 4.18Å; L63-L77 HydrophobicContact CB-CD1 4.41Å; L63-L77 HydrophobicContact CB-CD2 3.89Å; L63-L77 HydrophobicContact CD1-CD1 4.33Å; L63-L209 HydrophobicContact CD1-CD2 4.09Å; L63-L209 HydrophobicContact CD2-CD2 4.49Å; L63-L209 HydrophobicContact CG-CD2 4.45Å; L63-L213 HydrophobicContact CD2-CD1 3.59Å
64	N	96.9	Very high	91	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-38.3	177.3	-173	55.4	0	0	0	112	L60 K61 L62 R67 H68 L77 F91 N95	L60-N64 VanDerWaalsContact O-CB 3.3Å; L60-N64 WeakPolarHBondContact O-CB 3.24Å; L60-N64 PolarHBondContact O-N 2.9Å; K61-N64 PolarHBondContact O-N 3.08Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 2.73Å; N64-R67 WeakPolarHBondContact O-CB 3.41Å; N64-R67 PolarHBondContact O-N 2.9Å; N64-R67 PolarHBondContact OD1-NE 2.9Å; N64-R67 PolarHBondContact OD1-NH2 3.31Å; N64-H68 PolarHBondContact O-CD2 3.13Å; N64-H68 PolarHBondContact O-N 3.25Å; N64-L77 HydrophobicContact CB-CD2 4.08Å; N64-F91 HydrophobicContact CB-CE1 4.38Å; N64-N95 PolarHBondContact ND2-OD1 3.5Å
65	L	94.7	Very high	90.9	Very high	96 Å²	96	44.9 Å²	44.9	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-45.2	172.6	-70.8	170	0	0	0	111.2	L11 K61 L62 R67 H68 S69	L11-L65 HydrophobicContact CD2-CD1 4.39Å; K61-L65 WeakPolarHBondContact O-CG 3.41Å; K61-L65 PolarHBondContact O-N 2.91Å; L62-L65 WeakPolarHBondContact O-CB 3.23Å; L62-L65 PolarHBondContact O-N 3.46Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 3.07Å; L65-H68 PolarHBondContact O-N 3.1Å; L65-H68 VanDerWaalsContact O-N 3.1Å; L65-S69 PolarHBondContact O-N 2.91Å
66	C	92.5	Very high	90.8	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-33.3	177.1	-67.4	0	0	0	0	112.7	L62 L63 H68 S69 V74	L62-C66 PolarHBondContact O-N 2.82Å; L62-C66 PolarHBondContact O-SG 3.08Å; L63-C66 PolarHBondContact O-N 3.02Å; C66-H68 PolarHBondContact O-N 3.4Å; C66-S69 WeakPolarHBondContact O-CB 3.3Å; C66-S69 PolarHBondContact O-N 3.4Å; C66-S69 VanDerWaalsContact O-N 3.1Å; C66-S69 PolarHBondContact O-OG 2.85Å; C66-V74 HydrophobicContact CB-CG2 4.01Å
67	R	91.2	Very high	90.7	Very high	69 Å²	69	46.6 Å²	46.6	26%	0.26	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-33.1	174.2	-171.7	-173.4	70.7	167.3	0.2	112.9	L63 N64 L65 V74	L63-R67 PolarHBondContact O-N 3.47Å; N64-R67 WeakPolarHBondContact O-CB 3.41Å; N64-R67 PolarHBondContact O-N 2.9Å; N64-R67 PolarHBondContact OD1-NE 2.9Å; N64-R67 PolarHBondContact OD1-NH2 3.31Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 3.07Å; R67-V74 WeakPolarHBondContact CA-O 3.35Å; R67-V74 HydrophobicContact CB-CB 4.21Å; R67-V74 HydrophobicContact CB-CG1 4.04Å; R67-V74 HydrophobicContact CG-CG1 4.35Å
68	H	85.8	Confident	90.7	Very high	130 Å²	130	48 Å²	48	60%	0.602	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.4	178.3	-66.4	-65.3	0	0	0	113.4	N64 L65 C66	N64-H68 PolarHBondContact O-CD2 3.13Å; N64-H68 PolarHBondContact O-N 3.25Å; L65-H68 PolarHBondContact O-N 3.1Å; L65-H68 VanDerWaalsContact O-N 3.1Å; C66-H68 PolarHBondContact O-N 3.4Å
69	S	83.1	Confident	90.7	Very high	39 Å²	39	45.9 Å²	45.9	27%	0.273	23%	0.231	S	C	.	.	S	Bend	trans	-84.9	147.3	-179.5	77.6	0	0	0	0	111.8	L65 C66 E71 G72	L65-S69 PolarHBondContact O-N 2.91Å; C66-S69 WeakPolarHBondContact O-CB 3.3Å; C66-S69 PolarHBondContact O-N 3.4Å; C66-S69 VanDerWaalsContact O-N 3.1Å; C66-S69 PolarHBondContact O-OG 2.85Å; S69-E71 PolarHBondContact O-N 3.44Å; S69-E71 VanDerWaalsContact O-N 3.11Å; S69-G72 PolarHBondContact O-N 2.72Å
70	N	67.7	Low	90.7	Very high	157 Å²	157	45.9 Å²	45.9	84%	0.84	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.8	173.8	-66.9	-18.8	0	0	0	113.3	R42 G72	R42-N70 PolarHBondContact NH1-O 3.03Å; N70-G72 VanDerWaalsContact C-N 3.29Å
71	E	69.1	Low	90.6	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.3	178.3	-62.5	-174.4	175.6	0	0	111.9	S69 I73	S69-E71 PolarHBondContact O-N 3.44Å; S69-E71 VanDerWaalsContact O-N 3.11Å; E71-I73 PolarHBondContact O-N 3.23Å
72	G	68	Low	90.5	Very high	25 Å²	25	44.7 Å²	44.7	26%	0.258	23%	0.228	S	C	.	.			trans	65.9	34.7	166.6	0	0	0	0	0	114.7	S44 S69 N70	S44-G72 VanDerWaalsContact CA-O 3.24Å; S44-G72 WeakPolarHBondContact CA-O 3.49Å; S44-G72 WeakPolarHBondContact CB-O 3.01Å; S44-G72 PolarHBondContact OG-O 3.1Å; S69-G72 PolarHBondContact O-N 2.72Å; N70-G72 VanDerWaalsContact C-N 3.29Å
73	I	88.6	Confident	90.3	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.056	26%	0.255	C	S	.	.	S	Bend	trans	-79.9	-31.3	176.4	-62.6	163.9	0	0	0	111.3	W45 E71 L210 M214	W45-I73 VanDerWaalsContact CD1-O 3.26Å; W45-I73 PolarHBondContact N-O 3.36Å; E71-I73 PolarHBondContact O-N 3.23Å; I73-L210 HydrophobicContact CD1-CD1 4.03Å; I73-L210 HydrophobicContact CG2-CD1 4.01Å; I73-M214 HydrophobicContact CD1-CE 4.22Å; I73-M214 HydrophobicContact CD1-CG 3.57Å; I73-M214 HydrophobicContact CD1-SD 3.87Å; I73-M214 HydrophobicContact CG1-CG 4.22Å; I73-M214 HydrophobicContact CG2-CG 4.48Å
74	V	94.1	Very high	90.1	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110	-177.6	-178.3	0	0	0	0	108.8	L47 L63 C66 R67 L77	L47-V74 HydrophobicContact CD1-CG1 4.1Å; L47-V74 HydrophobicContact CD1-CG2 3.92Å; L63-V74 HydrophobicContact CD2-CG2 4.18Å; C66-V74 HydrophobicContact CB-CG2 4.01Å; R67-V74 WeakPolarHBondContact CA-O 3.35Å; R67-V74 HydrophobicContact CB-CB 4.21Å; R67-V74 HydrophobicContact CB-CG1 4.04Å; R67-V74 HydrophobicContact CG-CG1 4.35Å; V74-L77 HydrophobicContact CG1-CB 3.98Å
75	E	94.3	Very high	90	Very high	127 Å²	127	55.1 Å²	55.1	59%	0.593	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	-48.5	176.5	-171.5	-174.8	147.6	0	0	110.5	S44 W45 R46	S44-E75 WeakPolarHBondContact OG-CA 3.4Å; S44-E75 VanDerWaalsContact OG-CB 3.28Å; S44-E75 WeakPolarHBondContact OG-CB 3.5Å; S44-E75 PolarHBondContact OG-N 3.32Å; W45-E75 PolarHBondContact O-N 3.15Å; R46-E75 HydrophobicContact CG-CB 4.27Å
76	K	95.3	Very high	90.1	Very high	51 Å²	51	52.5 Å²	52.5	22%	0.222	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.7	-173.3	-176.4	-179.3	179.8	-175.2	0	108.6	W45 R46 L47 E78 F111	W45-K76 PolarHBondContact O-N 3.45Å; R46-K76 HydrophobicContact CB-CB 3.91Å; R46-K76 HydrophobicContact CB-CD 4.44Å; R46-K76 HydrophobicContact CG-CB 3.87Å; L47-K76 PolarHBondContact N-O 3.49Å; K76-E78 WeakPolarHBondContact CE-OE1 3.22Å; K76-E78 HydrophobicContact CG-CG 4.36Å; K76-E78 IonicContact NZ-OE1 2.76Å; K76-E78 PolarHBondContact NZ-OE1 3.41Å; K76-F111 HydrophobicContact CD-CE1 4.07Å; K76-F111 HydrophobicContact CG-CE1 4.38Å
77	L	97.5	Very high	90.3	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	115.2	178.1	-179.3	62.4	0	0	0	109	L47 F49 L60 L63 N64 V74 L97	L47-L77 HydrophobicContact CB-CD1 3.97Å; L47-L77 HydrophobicContact CD1-CD1 4.5Å; F49-L77 HydrophobicContact CB-CD1 4.1Å; L60-L77 HydrophobicContact CD1-CD1 4.29Å; L60-L77 HydrophobicContact CD1-CD2 3.95Å; L60-L77 HydrophobicContact CD1-CG 4.29Å; L63-L77 HydrophobicContact CB-CD1 4.41Å; L63-L77 HydrophobicContact CB-CD2 3.89Å; L63-L77 HydrophobicContact CD1-CD1 4.33Å; N64-L77 HydrophobicContact CB-CD2 4.08Å; V74-L77 HydrophobicContact CG1-CB 3.98Å; L77-L97 HydrophobicContact CB-CD2 4.3Å; L77-L97 HydrophobicContact CD2-CD1 4.43Å; L77-L97 HydrophobicContact CD2-CD2 4.05Å; L77-L97 HydrophobicContact CG-CD2 4.12Å
78	E	98.1	Very high	90.7	Very high	32 Å²	32	50.5 Å²	50.5	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.8	174.6	-55.7	-167.6	-179.3	0	0	109.8	L47 L48 F49 K76 A98 H100 F111	L47-E78 PolarHBondContact O-N 2.97Å; L47-E78 VanDerWaalsContact O-N 3.1Å; L48-E78 HydrophobicContact CD1-CB 3.91Å; F49-E78 PolarHBondContact N-O 3.41Å; K76-E78 WeakPolarHBondContact CE-OE1 3.22Å; K76-E78 HydrophobicContact CG-CG 4.36Å; K76-E78 IonicContact NZ-OE1 2.76Å; K76-E78 PolarHBondContact NZ-OE1 3.41Å; E78-A98 HydrophobicContact CB-CB 4.25Å; E78-A98 HydrophobicContact CG-CB 3.86Å; E78-H100 IonicContact OE2-CD2 2.6Å; E78-H100 IonicContact OE2-CE1 3.59Å; E78-H100 PolarHBondContact OE2-CE1 3Å; E78-H100 IonicContact OE2-NE2 3.51Å; E78-H100 PolarHBondContact OE2-NE2 3.32Å; E78-F111 HydrophobicContact CB-CE1 3.97Å; E78-F111 HydrophobicContact CB-CZ 3.98Å; E78-F111 HydrophobicContact CG-CE1 3.92Å; E78-F111 HydrophobicContact CG-CZ 4.02Å; E78-F111 WeakPolarHBondContact OE2-CZ 3.37Å
79	V	98.3	Very high	91.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.1	-167.1	178.9	0	0	0	0	111.1	F49 L60 V88 A92 L97 A98 L99 H100	F49-V79 HydrophobicContact CB-CG2 4.49Å; F49-V79 HydrophobicContact CD1-CG1 4.49Å; F49-V79 CarbonylContact O-C 3.53Å; F49-V79 WeakPolarHBondContact O-CA 3.21Å; L60-V79 HydrophobicContact CD1-CG2 3.78Å; L60-V79 HydrophobicContact CD2-CG2 3.95Å; V79-V88 HydrophobicContact CG1-CG1 3.53Å; V79-A92 HydrophobicContact CB-CB 4.34Å; V79-A92 HydrophobicContact CG1-CB 4.37Å; V79-A92 HydrophobicContact CG2-CB 4.25Å; V79-L97 HydrophobicContact CG2-CB 4.17Å; V79-L97 HydrophobicContact CG2-CD1 4.08Å; V79-A98 PolarHBondContact N-O 3.02Å; V79-L99 HydrophobicContact CB-CD2 3.93Å; V79-L99 HydrophobicContact CG1-CD2 3.84Å; V79-L99 CarbonylContact O-C 3.27Å; V79-L99 WeakPolarHBondContact O-CA 3.49Å; V79-H100 PolarHBondContact O-N 3.39Å
80	V	98.1	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.1	167.7	-174	0	0	0	0	107.9	L48 F49 F50 G51 H100 W102 P104 F119	L48-V80 HydrophobicContact CD1-CG2 3.69Å; L48-V80 HydrophobicContact CD2-CG2 3.82Å; L48-V80 HydrophobicContact CG-CG2 3.73Å; F49-V80 PolarHBondContact O-N 3.48Å; F50-V80 WeakPolarHBondContact CA-O 3.39Å; F50-V80 HydrophobicContact CD1-CB 3.5Å; F50-V80 HydrophobicContact CD1-CG1 3.73Å; F50-V80 HydrophobicContact CD1-CG2 3.83Å; F50-V80 HydrophobicContact CE1-CB 3.81Å; F50-V80 HydrophobicContact CE1-CG1 3.94Å; F50-V80 HydrophobicContact CE1-CG2 3.61Å; F50-V80 HydrophobicContact CG-CB 4.18Å; F50-V80 HydrophobicContact CZ-CG2 4.15Å; G51-V80 PolarHBondContact N-O 2.98Å; V80-H100 HydrophobicContact CG2-CB 3.94Å; V80-W102 HydrophobicContact CG1-CB 4.26Å; V80-W102 HydrophobicContact CG1-CE3 3.93Å; V80-P104 HydrophobicContact CG2-CB 4.03Å; V80-P104 HydrophobicContact CG2-CG 4.21Å; V80-F119 HydrophobicContact CG1-CE2 4.32Å; V80-F119 HydrophobicContact CG1-CZ 4.07Å
81	T	96.9	Very high	93.4	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	169.8	176.7	-161.2	0	0	0	0	110.6	G51 K89 L99	G51-T81 WeakPolarHBondContact O-CB 3.04Å; G51-T81 PolarHBondContact O-OG1 2.84Å; T81-K89 HydrophobicContact CG2-CB 3.89Å; T81-K89 HydrophobicContact CG2-CD 4.46Å; T81-K89 HydrophobicContact CG2-CG 4.17Å; T81-L99 HydrophobicContact CG2-CD2 4.12Å
82	L	95.6	Very high	94.8	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.188	22%	0.22	C	C	.	.			trans	-84.5	162.1	179	-61.2	-176	0	0	0	111.2	T52 L86 W102 F119 R121	T52-L82 HydrophobicContact CG2-CB 4.1Å; T52-L82 HydrophobicContact CG2-CD1 3.87Å; T52-L82 HydrophobicContact CG2-CG 3.69Å; L82-L86 HydrophobicContact CB-CD1 3.84Å; L82-L86 VanDerWaalsContact O-CD1 3.28Å; L82-L86 WeakPolarHBondContact O-CD1 3.27Å; L82-W102 HydrophobicContact CD2-CB 3.99Å; L82-W102 HydrophobicContact CD2-CG 4.02Å; L82-F119 HydrophobicContact CD2-CE2 3.89Å; L82-F119 HydrophobicContact CD2-CZ 3.78Å; L82-F119 HydrophobicContact CG-CE2 4.07Å; L82-F119 HydrophobicContact CG-CZ 4.45Å; L82-R121 HydrophobicContact CD1-CG 4.38Å; L82-R121 HydrophobicContact CD2-CG 3.85Å
83	P	93	Very high	96.2	Very high	116 Å²	116	44.5 Å²	44.5	75%	0.753	23%	0.233	S	C	*	.	S	Bend	trans	-57.7	154.1	172.7	-24.3	34.6	0	0	0	112.7
84	G	92.8	Very high	96.6	Very high	45 Å²	45	51 Å²	51	46%	0.464	26%	0.263	S	S	.	.	S	Bend	trans	106.4	-176	-178.5	0	0	0	0	0	113.6	K89	G84-K89 VanDerWaalsContact O-CD 3.26Å; G84-K89 WeakPolarHBondContact O-CD 3.38Å; G84-K89 PolarHBondContact O-NZ 3.33Å
85	D	94.8	Very high	96.8	Very high	101 Å²	101	53.3 Å²	53.3	54%	0.54	28%	0.275	S	S	.	.	S	Bend	trans	-96.9	91.5	178.2	-175.5	20.7	0	0	0	109.8	R90	D85-R90 VanDerWaalsContact CG-NE 3.27Å; D85-R90 VanDerWaalsContact OD1-CG 3.3Å; D85-R90 WeakPolarHBondContact OD1-CG 3.42Å; D85-R90 IonicContact OD1-CZ 3.65Å; D85-R90 IonicContact OD1-NE 3.35Å; D85-R90 PolarHBondContact OD1-NE 2.87Å; D85-R90 IonicContact OD1-NH2 2.71Å; D85-R90 IonicContact OD2-CZ 2.8Å; D85-R90 IonicContact OD2-NE 3.66Å; D85-R90 PolarHBondContact OD2-NE 3Å; D85-R90 IonicContact OD2-NH2 3.23Å; D85-R90 PolarHBondContact OD2-NH2 2.89Å
86	L	96.8	Very high	96.9	Very high	41 Å²	41	55.5 Å²	55.5	22%	0.215	29%	0.285	C	S	.	.			trans	-111.4	147	-170.7	-63.4	175.9	0	0	0	111.5	T52 L82 V88 K89 R90	T52-L86 HydrophobicContact CG2-CD1 4.03Å; L82-L86 HydrophobicContact CB-CD1 3.84Å; L82-L86 VanDerWaalsContact O-CD1 3.28Å; L82-L86 WeakPolarHBondContact O-CD1 3.27Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.47Å; L86-K89 HydrophobicContact CB-CB 4.3Å; L86-K89 WeakPolarHBondContact O-CB 3.39Å; L86-K89 PolarHBondContact O-N 2.96Å; L86-R90 PolarHBondContact O-N 2.97Å
87	P	98	Very high	97	Very high	37 Å²	37	53.5 Å²	53.5	24%	0.24	28%	0.277	C	S	.	.	H	α-helix	trans	-48.3	-47	177.1	-30.7	34.6	0	0	0	114.4	T52 V57 K89 R90 F91	T52-P87 VanDerWaalsContact O-CD 3.29Å; T52-P87 WeakPolarHBondContact O-CD 3.43Å; V57-P87 HydrophobicContact CG2-CB 3.74Å; P87-K89 PolarHBondContact O-N 2.86Å; P87-R90 PolarHBondContact O-N 3.24Å; P87-F91 WeakPolarHBondContact O-CB 3.28Å; P87-F91 PolarHBondContact O-N 3.46Å
88	V	98.2	Very high	97	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-40.8	178	166.6	0	0	0	0	112	F49 G51 T52 A56 V57 L60 V79 L86 F91 A92	F49-V88 HydrophobicContact CE1-CG1 4.47Å; G51-V88 WeakPolarHBondContact O-CG1 3.49Å; T52-V88 PolarHBondContact O-N 3.33Å; A56-V88 HydrophobicContact CB-CG2 3.65Å; V57-V88 HydrophobicContact CG2-CG2 3.84Å; L60-V88 HydrophobicContact CD2-CG1 3.97Å; V79-V88 HydrophobicContact CG1-CG1 3.53Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.47Å; V88-F91 PolarHBondContact O-N 3.46Å; V88-A92 WeakPolarHBondContact O-CB 3.42Å; V88-A92 PolarHBondContact O-N 3.05Å
89	K	98	Very high	96.9	Very high	65 Å²	65	57.1 Å²	57.1	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-48	177.9	-168.9	178.9	179.4	178	0	111.4	T81 G84 L86 P87 F91 A92 Q93 L99	T81-K89 HydrophobicContact CG2-CB 3.89Å; T81-K89 HydrophobicContact CG2-CD 4.46Å; T81-K89 HydrophobicContact CG2-CG 4.17Å; G84-K89 VanDerWaalsContact O-CD 3.26Å; G84-K89 WeakPolarHBondContact O-CD 3.38Å; G84-K89 PolarHBondContact O-NZ 3.33Å; L86-K89 HydrophobicContact CB-CB 4.3Å; L86-K89 WeakPolarHBondContact O-CB 3.39Å; L86-K89 PolarHBondContact O-N 2.96Å; P87-K89 PolarHBondContact O-N 2.86Å; K89-F91 VanDerWaalsContact C-N 3.34Å; K89-F91 PolarHBondContact O-N 3.21Å; K89-A92 PolarHBondContact O-N 3.34Å; K89-Q93 WeakPolarHBondContact O-CG 3.42Å; K89-Q93 PolarHBondContact O-N 2.93Å; K89-L99 HydrophobicContact CG-CD1 4.12Å
90	R	98.3	Very high	96.8	Very high	117 Å²	117	59.6 Å²	59.6	44%	0.442	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-47	177.3	-66	179.9	-170.5	152.8	-0.4	111	D85 L86 P87 A92 Q93 Q94	D85-R90 VanDerWaalsContact CG-NE 3.27Å; D85-R90 VanDerWaalsContact OD1-CG 3.3Å; D85-R90 WeakPolarHBondContact OD1-CG 3.42Å; D85-R90 IonicContact OD1-CZ 3.65Å; D85-R90 IonicContact OD1-NE 3.35Å; D85-R90 PolarHBondContact OD1-NE 2.87Å; D85-R90 IonicContact OD1-NH2 2.71Å; D85-R90 IonicContact OD2-CZ 2.8Å; D85-R90 IonicContact OD2-NE 3.66Å; D85-R90 PolarHBondContact OD2-NE 3Å; D85-R90 IonicContact OD2-NH2 3.23Å; D85-R90 PolarHBondContact OD2-NH2 2.89Å; L86-R90 PolarHBondContact O-N 2.97Å; P87-R90 PolarHBondContact O-N 3.24Å; R90-A92 PolarHBondContact O-N 2.96Å; R90-Q93 PolarHBondContact O-N 3.06Å; R90-Q94 WeakPolarHBondContact O-CB 3.41Å; R90-Q94 VanDerWaalsContact O-CG 3.24Å; R90-Q94 WeakPolarHBondContact O-CG 3.44Å; R90-Q94 PolarHBondContact O-N 3.46Å
91	F	98.4	Very high	96.5	Very high	24 Å²	24	63.4 Å²	63.4	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-45.6	178.3	-176.2	-90.1	0	0	0	111.9	V57 L60 K61 N64 P87 V88 K89 Q93 Q94 N95 L97	V57-F91 HydrophobicContact CG1-CB 4.4Å; V57-F91 HydrophobicContact CG1-CD2 4.08Å; V57-F91 HydrophobicContact CG1-CG 4.25Å; V57-F91 HydrophobicContact CG2-CB 4.38Å; L60-F91 HydrophobicContact CB-CD1 4.42Å; L60-F91 HydrophobicContact CB-CE1 4.48Å; L60-F91 HydrophobicContact CD2-CD1 3.56Å; L60-F91 HydrophobicContact CD2-CE1 4.19Å; L60-F91 HydrophobicContact CD2-CG 4.5Å; L60-F91 HydrophobicContact CG-CD1 3.76Å; L60-F91 HydrophobicContact CG-CE1 3.87Å; K61-F91 HydrophobicContact CB-CE2 4.37Å; K61-F91 HydrophobicContact CB-CZ 4.09Å; K61-F91 HydrophobicContact CD-CE2 4.28Å; K61-F91 HydrophobicContact CG-CD2 4.01Å; K61-F91 HydrophobicContact CG-CE1 4.3Å; K61-F91 HydrophobicContact CG-CE2 3.26Å; K61-F91 HydrophobicContact CG-CZ 3.43Å; K61-F91 VanDerWaalsContact CG-CZ 3.43Å; N64-F91 HydrophobicContact CB-CE1 4.38Å; P87-F91 WeakPolarHBondContact O-CB 3.28Å; P87-F91 PolarHBondContact O-N 3.46Å; V88-F91 PolarHBondContact O-N 3.46Å; K89-F91 VanDerWaalsContact C-N 3.34Å; K89-F91 PolarHBondContact O-N 3.21Å; F91-Q93 PolarHBondContact O-N 3.15Å; F91-Q94 PolarHBondContact O-N 3.14Å; F91-N95 HydrophobicContact CE1-CB 4.41Å; F91-N95 VanDerWaalsContact CE2-ND2 3.3Å; F91-N95 WeakPolarHBondContact CE2-ND2 3.42Å; F91-N95 VanDerWaalsContact CZ-ND2 3.32Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.49Å; F91-N95 PolarHBondContact O-N 3.36Å; F91-N95 VanDerWaalsContact O-N 3.07Å; F91-N95 PolarHBondContact O-ND2 2.8Å; F91-L97 HydrophobicContact CD1-CD1 4.42Å; F91-L97 HydrophobicContact CE1-CD1 4.28Å
92	A	97.9	Very high	96.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-45	178.8	0	0	0	0	0	112.2	V79 V88 K89 R90 N95 Q96 L97 L99	V79-A92 HydrophobicContact CB-CB 4.34Å; V79-A92 HydrophobicContact CG1-CB 4.37Å; V79-A92 HydrophobicContact CG2-CB 4.25Å; V88-A92 WeakPolarHBondContact O-CB 3.42Å; V88-A92 PolarHBondContact O-N 3.05Å; K89-A92 PolarHBondContact O-N 3.34Å; R90-A92 PolarHBondContact O-N 2.96Å; A92-N95 CarbonylContact O-C 3.55Å; A92-N95 PolarHBondContact O-N 2.91Å; A92-Q96 PolarHBondContact O-N 3.34Å; A92-L97 HydrophobicContact CB-CB 3.98Å; A92-L97 HydrophobicContact CB-CD1 4.47Å; A92-L97 PolarHBondContact O-N 2.8Å; A92-L99 HydrophobicContact CB-CD1 4.13Å; A92-L99 HydrophobicContact CB-CD2 3.71Å; A92-L99 HydrophobicContact CB-CG 3.92Å
93	Q	97.5	Very high	96.2	Very high	113 Å²	113	67.6 Å²	67.6	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.9	-70.1	173.5	-44.9	0	0	112	K89 R90 F91 N95 Q96 L99	K89-Q93 WeakPolarHBondContact O-CG 3.42Å; K89-Q93 PolarHBondContact O-N 2.93Å; R90-Q93 PolarHBondContact O-N 3.06Å; F91-Q93 PolarHBondContact O-N 3.15Å; Q93-N95 PolarHBondContact O-N 2.85Å; Q93-Q96 PolarHBondContact O-N 2.76Å; Q93-L99 HydrophobicContact CG-CD1 3.68Å
94	Q	97.7	Very high	96.2	Very high	147 Å²	147	62.6 Å²	62.6	69%	0.687	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-31.4	178.6	-74.2	171.9	-15.6	0	0	113	R90 F91	R90-Q94 WeakPolarHBondContact O-CB 3.41Å; R90-Q94 VanDerWaalsContact O-CG 3.24Å; R90-Q94 WeakPolarHBondContact O-CG 3.44Å; R90-Q94 PolarHBondContact O-N 3.46Å; F91-Q94 PolarHBondContact O-N 3.14Å
95	N	97.3	Very high	96	Very high	53 Å²	53	66.4 Å²	66.4	28%	0.283	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	12.8	-178.2	-67	-91	0	0	0	113.2	N64 F91 A92 Q93 L97	N64-N95 PolarHBondContact ND2-OD1 3.5Å; F91-N95 HydrophobicContact CE1-CB 4.41Å; F91-N95 VanDerWaalsContact CE2-ND2 3.3Å; F91-N95 WeakPolarHBondContact CE2-ND2 3.42Å; F91-N95 VanDerWaalsContact CZ-ND2 3.32Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.49Å; F91-N95 PolarHBondContact O-N 3.36Å; F91-N95 VanDerWaalsContact O-N 3.07Å; F91-N95 PolarHBondContact O-ND2 2.8Å; A92-N95 CarbonylContact O-C 3.55Å; A92-N95 PolarHBondContact O-N 2.91Å; Q93-N95 PolarHBondContact O-N 2.85Å; N95-L97 HydrophobicContact CB-CD1 4.49Å; N95-L97 HydrophobicContact CB-CG 4.38Å; N95-L97 PolarHBondContact O-N 3.05Å
96	Q	96.8	Very high	95.6	Very high	174 Å²	174	68 Å²	68	81%	0.813	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	39.6	176.8	-60.3	153	21.6	0	0	112.6	A92 Q93	A92-Q96 PolarHBondContact O-N 3.34Å; Q93-Q96 PolarHBondContact O-N 2.76Å
97	L	97.2	Very high	95.4	Very high	9 Å²	9	66 Å²	66	5%	0.047	34%	0.335	C	S	.	.			trans	-83.2	135	172.7	-67.7	171.1	0	0	0	109.8	L60 L77 V79 F91 A92 N95 L99	L60-L97 HydrophobicContact CD1-CD1 3.96Å; L60-L97 HydrophobicContact CD2-CD1 4.24Å; L60-L97 HydrophobicContact CG-CD1 4.14Å; L77-L97 HydrophobicContact CB-CD2 4.3Å; L77-L97 HydrophobicContact CD2-CD1 4.43Å; L77-L97 HydrophobicContact CD2-CD2 4.05Å; L77-L97 HydrophobicContact CG-CD2 4.12Å; V79-L97 HydrophobicContact CG2-CB 4.17Å; V79-L97 HydrophobicContact CG2-CD1 4.08Å; F91-L97 HydrophobicContact CD1-CD1 4.42Å; F91-L97 HydrophobicContact CE1-CD1 4.28Å; A92-L97 HydrophobicContact CB-CB 3.98Å; A92-L97 HydrophobicContact CB-CD1 4.47Å; A92-L97 PolarHBondContact O-N 2.8Å; N95-L97 HydrophobicContact CB-CD1 4.49Å; N95-L97 HydrophobicContact CB-CG 4.38Å; N95-L97 PolarHBondContact O-N 3.05Å; L97-L99 PolarHBondContact O-N 3.23Å
98	A	97.1	Very high	95	Very high	47 Å²	47	70.4 Å²	70.4	39%	0.388	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.9	176.1	0	0	0	0	0	110.2	E78 V79	E78-A98 HydrophobicContact CB-CB 4.25Å; E78-A98 HydrophobicContact CG-CB 3.86Å; V79-A98 PolarHBondContact N-O 3.02Å
99	L	97	Very high	94.7	Very high	66 Å²	66	73 Å²	73	35%	0.346	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.6	-176.7	-82.7	167.7	0	0	0	110.9	V79 T81 K89 A92 Q93 L97	V79-L99 HydrophobicContact CB-CD2 3.93Å; V79-L99 HydrophobicContact CG1-CD2 3.84Å; V79-L99 CarbonylContact O-C 3.27Å; V79-L99 WeakPolarHBondContact O-CA 3.49Å; T81-L99 HydrophobicContact CG2-CD2 4.12Å; K89-L99 HydrophobicContact CG-CD1 4.12Å; A92-L99 HydrophobicContact CB-CD1 4.13Å; A92-L99 HydrophobicContact CB-CD2 3.71Å; A92-L99 HydrophobicContact CB-CG 3.92Å; Q93-L99 HydrophobicContact CG-CD1 3.68Å; L97-L99 PolarHBondContact O-N 3.23Å
100	H	96.1	Very high	94.5	Very high	51 Å²	51	73.3 Å²	73.3	24%	0.236	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.5	174.5	-63.8	-90	0	0	0	110.5	E78 V79 V80 P104	E78-H100 IonicContact OE2-CD2 2.6Å; E78-H100 IonicContact OE2-CE1 3.59Å; E78-H100 PolarHBondContact OE2-CE1 3Å; E78-H100 IonicContact OE2-NE2 3.51Å; E78-H100 PolarHBondContact OE2-NE2 3.32Å; V79-H100 PolarHBondContact O-N 3.39Å; V80-H100 HydrophobicContact CG2-CB 3.94Å; H100-P104 HydrophobicContact CB-CB 4.33Å
101	S	91.8	Very high	94.5	Very high	80 Å²	80	67.8 Å²	67.8	56%	0.559	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	149.1	165.5	52.9	0	0	0	0	110.7	P103 P104	S101-P103 CarbonylContact O-C 3.52Å; S101-P103 VanDerWaalsContact O-O 3.04Å; S101-P104 WeakPolarHBondContact O-CA 3.4Å
102	W	93.9	Very high	94.4	Very high	58 Å²	58	67.9 Å²	67.9	22%	0.22	36%	0.362	C	S	.	.	S	Bend	trans	-85.5	132.3	166.8	176.6	-98	0	0	0	111	F50 V80 L82 F119 R121 L123 L127	F50-W102 HydrophobicContact CD1-CE3 4.31Å; F50-W102 HydrophobicContact CD1-CZ3 4.03Å; F50-W102 HydrophobicContact CE1-CE3 4.26Å; F50-W102 AromaticContact CE1-CZ3 3.82Å; F50-W102 HydrophobicContact CE1-CZ3 3.82Å; V80-W102 HydrophobicContact CG1-CB 4.26Å; V80-W102 HydrophobicContact CG1-CE3 3.93Å; L82-W102 HydrophobicContact CD2-CB 3.99Å; L82-W102 HydrophobicContact CD2-CG 4.02Å; W102-F119 HydrophobicContact CB-CZ 4.15Å; W102-F119 AromaticContact CD2-CE1 3.7Å; W102-F119 HydrophobicContact CD2-CE1 3.7Å; W102-F119 AromaticContact CD2-CZ 3.58Å; W102-F119 HydrophobicContact CD2-CZ 3.58Å; W102-F119 AromaticContact CE3-CE1 3.4Å; W102-F119 HydrophobicContact CE3-CE1 3.4Å; W102-F119 AromaticContact CE3-CZ 3.36Å; W102-F119 HydrophobicContact CE3-CZ 3.36Å; W102-F119 HydrophobicContact CG-CE1 4.43Å; W102-F119 AromaticContact CG-CZ 3.93Å; W102-F119 HydrophobicContact CG-CZ 3.93Å; W102-F119 AromaticContact CH2-CE1 3.98Å; W102-F119 HydrophobicContact CH2-CE1 3.98Å; W102-F119 HydrophobicContact CZ2-CE1 4.24Å; W102-F119 AromaticContact CZ3-CE1 3.55Å; W102-F119 HydrophobicContact CZ3-CE1 3.55Å; W102-F119 AromaticContact CZ3-CZ 3.99Å; W102-F119 HydrophobicContact CZ3-CZ 3.99Å; W102-R121 HydrophobicContact CZ2-CB 4.03Å; W102-L123 HydrophobicContact CH2-CG 4.1Å; W102-L127 HydrophobicContact CH2-CD2 3.86Å; W102-L127 HydrophobicContact CZ3-CD2 3.68Å
103	P	92.6	Very high	94.4	Very high	75 Å²	75	67.9 Å²	67.9	49%	0.487	36%	0.362	S	S	.	.	S	Bend	cis	-75.4	148.2	-6.8	32	-34.7	0	0	0	112.4	S101	S101-P103 CarbonylContact O-C 3.52Å; S101-P103 VanDerWaalsContact O-O 3.04Å
104	P	92.3	Very high	94.4	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.071	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72	142.7	-180	30.6	-35.9	0	0	0	111.8	L48 F50 V80 H100 S101 V107 L127	L48-P104 HydrophobicContact CD2-CB 4.4Å; L48-P104 HydrophobicContact CD2-CG 4.37Å; F50-P104 HydrophobicContact CE1-CG 4.07Å; F50-P104 HydrophobicContact CZ-CG 4.44Å; V80-P104 HydrophobicContact CG2-CB 4.03Å; V80-P104 HydrophobicContact CG2-CG 4.21Å; H100-P104 HydrophobicContact CB-CB 4.33Å; S101-P104 WeakPolarHBondContact O-CA 3.4Å; P104-V107 HydrophobicContact CB-CG2 3.8Å; P104-V107 HydrophobicContact CG-CG2 3.86Å; P104-L127 HydrophobicContact CG-CD1 4Å; P104-L127 HydrophobicContact CG-CD2 4.35Å
105	H	88.2	Confident	94.5	Very high	126 Å²	126	55.5 Å²	55.5	58%	0.583	30%	0.304	S	S	*	.	S	Bend	trans	-100.8	157.4	173.9	-57.8	-71.1	0	0	0	110.4	V107	H105-V107 PolarHBondContact O-N 2.89Å
106	N	86.4	Confident	94.5	Very high	133 Å²	133	53.5 Å²	53.5	71%	0.711	29%	0.294	S	S	*	.			trans	57.9	36.5	172.5	-55.5	-21.9	0	0	0	116.3	Q110	N106-Q110 PolarHBondContact O-NE2 2.85Å
107	V	91.9	Very high	94.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.255	C	S	.	.			trans	-74.5	-24.3	-179.8	179.1	0	0	0	0	113.5	L48 P104 H105 G109 Q110 F111 L127 K130 F131	L48-V107 HydrophobicContact CD2-CG1 4.19Å; L48-V107 HydrophobicContact CD2-CG2 3.97Å; P104-V107 HydrophobicContact CB-CG2 3.8Å; P104-V107 HydrophobicContact CG-CG2 3.86Å; H105-V107 PolarHBondContact O-N 2.89Å; V107-G109 PolarHBondContact O-N 2.76Å; V107-Q110 PolarHBondContact O-N 2.89Å; V107-F111 HydrophobicContact CG1-CD2 4.05Å; V107-L127 HydrophobicContact CB-CD1 4.49Å; V107-L127 HydrophobicContact CG1-CD1 4.34Å; V107-L127 HydrophobicContact CG2-CD1 4.13Å; V107-K130 HydrophobicContact CB-CD 3.89Å; V107-K130 HydrophobicContact CG1-CB 4.07Å; V107-K130 HydrophobicContact CG1-CD 4.23Å; V107-F131 HydrophobicContact CG1-CE1 4.07Å; V107-F131 HydrophobicContact CG1-CE2 3.88Å; V107-F131 HydrophobicContact CG1-CZ 3.51Å
108	E	90.8	Very high	94.5	Very high	128 Å²	128	46.7 Å²	46.7	60%	0.598	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	127.8	-171.9	-161.9	65.7	-136.2	0	0	112.7	Q110 K130	E108-Q110 PolarHBondContact O-N 3.06Å; E108-K130 VanDerWaalsContact OE2-CG 3.31Å; E108-K130 WeakPolarHBondContact OE2-CG 3.44Å
109	G	90.6	Very high	94.4	Very high	54 Å²	54	44.6 Å²	44.6	56%	0.557	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	-2.9	177.6	0	0	0	0	0	116.1	R46 V107	R46-G109 PolarHBondContact NH1-O 3.29Å; R46-G109 VanDerWaalsContact NH1-O 3.08Å; V107-G109 PolarHBondContact O-N 2.76Å
110	Q	95.1	Very high	94	Very high	72 Å²	72	44.5 Å²	44.5	34%	0.336	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-25.3	-175.9	-67	-145.5	39.1	0	0	114.2	N106 V107 E108	N106-Q110 PolarHBondContact O-NE2 2.85Å; V107-Q110 PolarHBondContact O-N 2.89Å; E108-Q110 PolarHBondContact O-N 3.06Å
111	F	97	Very high	93.7	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	27%	0.27	C	S	.	.			trans	-136.6	145.1	-172	-56.6	-79.1	0	0	0	110.9	R46 L47 L48 K76 E78 V107 F131 P132	R46-F111 HydrophobicContact CB-CD1 4.46Å; R46-F111 CarbonylContact O-C 3.5Å; R46-F111 WeakPolarHBondContact O-CA 3.23Å; R46-F111 WeakPolarHBondContact O-CB 3.36Å; L47-F111 VanDerWaalsContact C-CD1 3.44Å; L47-F111 WeakPolarHBondContact O-CD1 3.48Å; L47-F111 WeakPolarHBondContact O-CE1 3.35Å; L48-F111 HydrophobicContact CB-CB 4.42Å; L48-F111 HydrophobicContact CB-CD1 3.98Å; L48-F111 HydrophobicContact CB-CD2 4.05Å; L48-F111 HydrophobicContact CB-CE1 4.22Å; L48-F111 HydrophobicContact CB-CE2 4.29Å; L48-F111 HydrophobicContact CB-CG 3.89Å; L48-F111 HydrophobicContact CB-CZ 4.36Å; L48-F111 HydrophobicContact CD1-CE1 4.22Å; L48-F111 HydrophobicContact CD1-CE2 4.09Å; L48-F111 HydrophobicContact CD1-CZ 3.84Å; L48-F111 HydrophobicContact CD2-CD2 4.28Å; L48-F111 HydrophobicContact CD2-CE2 4.17Å; L48-F111 HydrophobicContact CG-CE2 4.43Å; K76-F111 HydrophobicContact CD-CE1 4.07Å; K76-F111 HydrophobicContact CG-CE1 4.38Å; E78-F111 HydrophobicContact CB-CE1 3.97Å; E78-F111 HydrophobicContact CB-CZ 3.98Å; E78-F111 HydrophobicContact CG-CE1 3.92Å; E78-F111 HydrophobicContact CG-CZ 4.02Å; E78-F111 WeakPolarHBondContact OE2-CZ 3.37Å; V107-F111 HydrophobicContact CG1-CD2 4.05Å; F111-F131 HydrophobicContact CB-CD1 3.94Å; F111-F131 HydrophobicContact CB-CE1 3.63Å; F111-F131 HydrophobicContact CG-CE1 4.33Å; F111-P132 WeakPolarHBondContact O-CD 3.44Å
112	D	97.1	Very high	93.7	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.134	26%	0.255	C	S	.	.	S	Bend	trans	-90.7	-37.1	-179.3	-54.6	-55.9	0	0	0	111.2	W45 R46 P132 F133	W45-D112 HydrophobicContact CE3-CB 3.9Å; W45-D112 HydrophobicContact CZ3-CB 4.35Å; R46-D112 VanDerWaalsContact CB-OD2 3.27Å; R46-D112 WeakPolarHBondContact CB-OD2 3.47Å; R46-D112 WeakPolarHBondContact CG-OD2 3.27Å; R46-D112 IonicContact CZ-OD1 3.32Å; R46-D112 IonicContact CZ-OD2 3.26Å; R46-D112 PolarHBondContact N-OD2 2.91Å; R46-D112 IonicContact NE-OD1 2.78Å; R46-D112 PolarHBondContact NE-OD1 2.83Å; R46-D112 IonicContact NE-OD2 2.72Å; R46-D112 PolarHBondContact NE-OD2 3.21Å; R46-D112 IonicContact NH2-OD1 2.87Å; R46-D112 PolarHBondContact NH2-OD1 3.1Å; R46-D112 IonicContact NH2-OD2 3.75Å; R46-D112 PolarHBondContact O-N 2.89Å; D112-P132 WeakPolarHBondContact O-CD 3.48Å; D112-F133 HydrophobicContact CB-CD2 4.24Å; D112-F133 PolarHBondContact O-N 3.16Å
113	V	97.9	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.2	-174.3	-156	0	0	0	0	110.5	W45 R46 L47 L48 F133 L136 L216	W45-V113 HydrophobicContact CD2-CG2 4.03Å; W45-V113 HydrophobicContact CE3-CG2 3.64Å; W45-V113 HydrophobicContact CG-CG2 4.46Å; W45-V113 HydrophobicContact CZ3-CG2 4.16Å; R46-V113 PolarHBondContact O-N 3.47Å; L47-V113 WeakPolarHBondContact CA-O 3.34Å; L47-V113 HydrophobicContact CD2-CB 3.72Å; L47-V113 HydrophobicContact CD2-CG2 4.04Å; L48-V113 PolarHBondContact N-O 2.99Å; V113-F133 HydrophobicContact CG1-CB 4.33Å; V113-F133 HydrophobicContact CG2-CB 3.97Å; V113-F133 HydrophobicContact CG2-CD2 4.46Å; V113-F133 HydrophobicContact CG2-CG 4.43Å; V113-L136 HydrophobicContact CG1-CD1 4.12Å; V113-L136 HydrophobicContact CG1-CG 3.86Å; V113-L216 HydrophobicContact CB-CD2 4.48Å; V113-L216 HydrophobicContact CG1-CD2 3.95Å; V113-L216 HydrophobicContact CG2-CD2 3.66Å
114	G	98.3	Very high	93.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.2	165.8	0	0	0	0	0	110.6	L48 G134 I135 L136	L48-G114 WeakPolarHBondContact O-CA 3.48Å; G114-G134 PolarHBondContact N-O 3.01Å; G114-I135 CarbonylContact O-C 3.59Å; G114-I135 VanDerWaalsContact O-CA 3.32Å; G114-I135 WeakPolarHBondContact O-CA 3.3Å; G114-L136 PolarHBondContact O-N 3.47Å
115	V	98.6	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.1	175.1	175.6	0	0	0	0	109.1	L47 L48 F49 F50 V117 L209	L47-V115 HydrophobicContact CD2-CG2 4.38Å; L48-V115 PolarHBondContact O-N 3.31Å; F49-V115 CarbonylContact C-O 3.58Å; F49-V115 WeakPolarHBondContact CA-O 3.49Å; F49-V115 HydrophobicContact CD2-CB 4.08Å; F49-V115 HydrophobicContact CD2-CG1 3.81Å; F49-V115 HydrophobicContact CE2-CG1 3.94Å; F50-V115 PolarHBondContact N-O 3.41Å; V115-V117 HydrophobicContact CG1-CG2 3.99Å; V115-L209 HydrophobicContact CG1-CD1 4Å; V115-L209 HydrophobicContact CG1-CD2 3.58Å; V115-L209 HydrophobicContact CG1-CG 4.44Å; V115-L209 HydrophobicContact CG2-CD1 4.27Å
116	V	98.3	Very high	93.7	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	176.6	175.7	0	0	0	0	109.2	F50 F119 L123 I135 L136 N137 V138	F50-V116 HydrophobicContact CB-CB 4.45Å; F50-V116 HydrophobicContact CB-CG2 3.87Å; F50-V116 HydrophobicContact CD2-CG2 3.94Å; F50-V116 HydrophobicContact CG-CG2 4.08Å; F50-V116 WeakPolarHBondContact O-CA 3.3Å; V116-F119 HydrophobicContact CG1-CB 3.79Å; V116-L123 HydrophobicContact CG2-CD1 3.99Å; V116-L123 HydrophobicContact CG2-CD2 3.81Å; V116-I135 HydrophobicContact CB-CG2 4.38Å; V116-I135 HydrophobicContact CG2-CG2 3.48Å; V116-I135 VanDerWaalsContact CG2-CG2 3.48Å; V116-L136 PolarHBondContact N-O 3.23Å; V116-N137 HydrophobicContact CB-CB 4.48Å; V116-N137 VanDerWaalsContact O-CA 3.3Å; V116-N137 WeakPolarHBondContact O-CA 3.49Å; V116-N137 PolarHBondContact O-OD1 3.47Å; V116-N137 VanDerWaalsContact O-OD1 3.07Å; V116-V138 PolarHBondContact O-N 3.19Å; V116-V138 VanDerWaalsContact O-N 3.1Å
117	V	98.1	Very high	94.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	117.3	172.9	-169.2	0	0	0	0	108.1	F49 F50 G51 F55 A56 V115 F119 V138	F49-V117 HydrophobicContact CE2-CB 4.33Å; F49-V117 HydrophobicContact CE2-CG2 3.7Å; F49-V117 HydrophobicContact CZ-CB 3.95Å; F49-V117 HydrophobicContact CZ-CG2 3.84Å; F50-V117 PolarHBondContact O-N 3.4Å; G51-V117 WeakPolarHBondContact CA-O 3.26Å; F55-V117 HydrophobicContact CD1-CG1 3.57Å; F55-V117 HydrophobicContact CE1-CG1 3.69Å; A56-V117 HydrophobicContact CB-CB 3.97Å; A56-V117 HydrophobicContact CB-CG1 4.02Å; A56-V117 VanDerWaalsContact CB-O 3.24Å; A56-V117 WeakPolarHBondContact CB-O 3.48Å; V115-V117 HydrophobicContact CG1-CG2 3.99Å; V117-F119 VanDerWaalsContact C-N 3.31Å; V117-F119 PolarHBondContact O-N 3.06Å; V117-F119 VanDerWaalsContact O-N 3.17Å; V117-V138 HydrophobicContact CG1-CB 4.23Å; V117-V138 HydrophobicContact CG2-CB 3.94Å; V117-V138 HydrophobicContact CG2-CG2 3.78Å
118	S	95.4	Very high	94.2	Very high	40 Å²	40	38.2 Å²	38.2	28%	0.28	23%	0.233	S	C	.	.	S	Bend	trans	43.7	51.2	179.7	-72.1	0	0	0	0	114.2	T52 D53	T52-S118 PolarHBondContact N-O 2.79Å; T52-S118 PolarHBondContact OG1-O 3.29Å; D53-S118 WeakPolarHBondContact OD1-CB 3.37Å; D53-S118 PolarHBondContact OD1-OG 2.79Å; D53-S118 WeakPolarHBondContact OD2-CB 3.31Å; D53-S118 PolarHBondContact OD2-OG 3.1Å
119	F	95.1	Very high	94.4	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	24%	0.235	C	C	.	.			trans	-88.6	-31	-176.8	-174.3	-123.7	0	0	0	113.7	F50 T52 V80 L82 W102 V116 V117 R121 L123	F50-F119 HydrophobicContact CB-CB 4.21Å; F50-F119 HydrophobicContact CB-CD1 4.12Å; F50-F119 HydrophobicContact CB-CD2 3.95Å; F50-F119 HydrophobicContact CB-CE2 4.35Å; F50-F119 HydrophobicContact CB-CG 3.83Å; F50-F119 HydrophobicContact CD1-CD1 4.47Å; F50-F119 HydrophobicContact CD1-CE1 4.11Å; F50-F119 HydrophobicContact CD1-CZ 4.18Å; T52-F119 HydrophobicContact CG2-CD2 4.05Å; V80-F119 HydrophobicContact CG1-CE2 4.32Å; V80-F119 HydrophobicContact CG1-CZ 4.07Å; L82-F119 HydrophobicContact CD2-CE2 3.89Å; L82-F119 HydrophobicContact CD2-CZ 3.78Å; L82-F119 HydrophobicContact CG-CE2 4.07Å; L82-F119 HydrophobicContact CG-CZ 4.45Å; W102-F119 HydrophobicContact CB-CZ 4.15Å; W102-F119 AromaticContact CD2-CE1 3.7Å; W102-F119 HydrophobicContact CD2-CE1 3.7Å; W102-F119 AromaticContact CD2-CZ 3.58Å; W102-F119 HydrophobicContact CD2-CZ 3.58Å; W102-F119 AromaticContact CE3-CE1 3.4Å; W102-F119 HydrophobicContact CE3-CE1 3.4Å; W102-F119 AromaticContact CE3-CZ 3.36Å; W102-F119 HydrophobicContact CE3-CZ 3.36Å; W102-F119 HydrophobicContact CG-CE1 4.43Å; W102-F119 AromaticContact CG-CZ 3.93Å; W102-F119 HydrophobicContact CG-CZ 3.93Å; W102-F119 AromaticContact CH2-CE1 3.98Å; W102-F119 HydrophobicContact CH2-CE1 3.98Å; W102-F119 HydrophobicContact CZ2-CE1 4.24Å; W102-F119 AromaticContact CZ3-CE1 3.55Å; W102-F119 HydrophobicContact CZ3-CE1 3.55Å; W102-F119 AromaticContact CZ3-CZ 3.99Å; W102-F119 HydrophobicContact CZ3-CZ 3.99Å; V116-F119 HydrophobicContact CG1-CB 3.79Å; V117-F119 VanDerWaalsContact C-N 3.31Å; V117-F119 PolarHBondContact O-N 3.06Å; V117-F119 VanDerWaalsContact O-N 3.17Å; F119-R121 VanDerWaalsContact C-N 3.33Å; F119-R121 HydrophobicContact CD1-CB 3.79Å; F119-R121 HydrophobicContact CD1-CG 4.38Å; F119-R121 HydrophobicContact CE1-CB 3.66Å; F119-R121 HydrophobicContact CE1-CG 4.02Å; F119-R121 PolarHBondContact O-N 2.76Å; F119-L123 HydrophobicContact CD1-CD1 4.24Å
120	G	88.9	Confident	94.6	Very high	65 Å²	65	38.2 Å²	38.2	67%	0.67	22%	0.221	S	C	*	.			trans	76.4	11.1	174.6	0	0	0	0	0	115.9
121	R	90.1	Very high	94.7	Very high	100 Å²	100	35.1 Å²	35.1	38%	0.377	21%	0.207	S	C	.	.	S	Bend	trans	-123.3	150	172.4	-66	-66.1	-170.7	169.1	-0	110.9	L82 W102 F119 L123 N374	L82-R121 HydrophobicContact CD1-CG 4.38Å; L82-R121 HydrophobicContact CD2-CG 3.85Å; W102-R121 HydrophobicContact CZ2-CB 4.03Å; F119-R121 VanDerWaalsContact C-N 3.33Å; F119-R121 HydrophobicContact CD1-CB 3.79Å; F119-R121 HydrophobicContact CD1-CG 4.38Å; F119-R121 HydrophobicContact CE1-CB 3.66Å; F119-R121 HydrophobicContact CE1-CG 4.02Å; F119-R121 PolarHBondContact O-N 2.76Å; R121-L123 WeakPolarHBondContact O-CD1 3.16Å; R121-N374 PolarHBondContact NH1-O 3.34Å
122	L	90.4	Very high	94.6	Very high	44 Å²	44	39.8 Å²	39.8	23%	0.23	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-75.1	141.6	167.8	-77.1	172.3	0	0	0	109.9	F175	L122-F175 HydrophobicContact CB-CZ 4.4Å; L122-F175 HydrophobicContact CD1-CE2 4.08Å; L122-F175 HydrophobicContact CD1-CZ 4.41Å; L122-F175 HydrophobicContact CD2-CD1 3.83Å; L122-F175 HydrophobicContact CD2-CD2 3.59Å; L122-F175 HydrophobicContact CD2-CE1 3.6Å; L122-F175 HydrophobicContact CD2-CE2 3.36Å; L122-F175 HydrophobicContact CD2-CG 3.83Å; L122-F175 HydrophobicContact CD2-CZ 3.37Å; L122-F175 HydrophobicContact CG-CD2 4.24Å; L122-F175 HydrophobicContact CG-CE1 4.05Å; L122-F175 HydrophobicContact CG-CE2 3.51Å; L122-F175 HydrophobicContact CG-CZ 3.4Å
123	L	91.7	Very high	94.6	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.052	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-103.5	128.3	174.5	-75.4	81.5	0	0	0	108.6	F50 W102 V116 F119 R121 L127 I128 I135 I170 N173	F50-L123 HydrophobicContact CE1-CD2 4.5Å; F50-L123 HydrophobicContact CZ-CD2 4.44Å; W102-L123 HydrophobicContact CH2-CG 4.1Å; V116-L123 HydrophobicContact CG2-CD1 3.99Å; V116-L123 HydrophobicContact CG2-CD2 3.81Å; F119-L123 HydrophobicContact CD1-CD1 4.24Å; R121-L123 WeakPolarHBondContact O-CD1 3.16Å; L123-L127 HydrophobicContact CD2-CD2 3.96Å; L123-L127 HydrophobicContact CG-CD2 4.24Å; L123-I128 HydrophobicContact CB-CD1 4.24Å; L123-I128 HydrophobicContact CB-CG1 4.17Å; L123-I135 HydrophobicContact CD2-CD1 3.42Å; L123-I135 VanDerWaalsContact CD2-CD1 3.42Å; L123-I135 HydrophobicContact CD2-CG2 4.23Å; L123-I170 HydrophobicContact CB-CD1 3.87Å; L123-I170 HydrophobicContact CD2-CD1 4.02Å; L123-I170 HydrophobicContact CG-CD1 4.34Å; L123-N173 PolarHBondContact O-N 3.21Å
124	H	91.1	Very high	94.6	Very high	112 Å²	112	41.7 Å²	41.7	52%	0.519	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-85.9	158.6	-179.5	-60.3	-64.1	0	0	0	111.1	G126 L127 I128 N173	H124-G126 VanDerWaalsContact C-N 3.33Å; H124-G126 PolarHBondContact O-N 3.04Å; H124-L127 PolarHBondContact O-N 3.43Å; H124-I128 WeakPolarHBondContact O-CG1 3.31Å; H124-I128 PolarHBondContact O-N 3.24Å; H124-I128 VanDerWaalsContact O-N 3.14Å; H124-N173 PolarHBondContact ND1-OD1 3.28Å
125	C	92.3	Very high	94.6	Very high	60 Å²	60	41.7 Å²	41.7	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-52.3	-48.4	-179.6	49.1	0	0	0	0	112.4	L127 I128 D129 P172	C125-L127 PolarHBondContact O-N 3.24Å; C125-I128 PolarHBondContact O-N 3.3Å; C125-D129 WeakPolarHBondContact O-CB 3.26Å; C125-D129 PolarHBondContact O-N 2.98Å; C125-P172 HydrophobicContact CB-CB 4.04Å; C125-P172 HydrophobicContact CB-CG 4.03Å
126	G	92.4	Very high	94.6	Very high	47 Å²	47	41.7 Å²	41.7	49%	0.485	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-13.5	-179.3	0	0	0	0	0	115.6	H124 K130	H124-G126 VanDerWaalsContact C-N 3.33Å; H124-G126 PolarHBondContact O-N 3.04Å; G126-K130 WeakPolarHBondContact O-CE 3.41Å; G126-K130 WeakPolarHBondContact O-CG 3.46Å
127	L	94.4	Very high	94.6	Very high	18 Å²	18	41.9 Å²	41.9	9%	0.094	25%	0.246	C	C	.	.	H	α-helix	trans	-94	-41.6	167.7	178.7	61	0	0	0	111.5	F50 W102 P104 V107 L123 H124 C125 D129 K130 F131 I135	F50-L127 HydrophobicContact CE1-CD2 4.06Å; F50-L127 HydrophobicContact CZ-CD2 4.11Å; W102-L127 HydrophobicContact CH2-CD2 3.86Å; W102-L127 HydrophobicContact CZ3-CD2 3.68Å; P104-L127 HydrophobicContact CG-CD1 4Å; P104-L127 HydrophobicContact CG-CD2 4.35Å; V107-L127 HydrophobicContact CB-CD1 4.49Å; V107-L127 HydrophobicContact CG1-CD1 4.34Å; V107-L127 HydrophobicContact CG2-CD1 4.13Å; L123-L127 HydrophobicContact CD2-CD2 3.96Å; L123-L127 HydrophobicContact CG-CD2 4.24Å; H124-L127 PolarHBondContact O-N 3.43Å; C125-L127 PolarHBondContact O-N 3.24Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 3.35Å; L127-K130 WeakPolarHBondContact O-CB 3.38Å; L127-K130 PolarHBondContact O-N 2.97Å; L127-F131 HydrophobicContact CD1-CE2 4.08Å; L127-F131 HydrophobicContact CG-CE2 4.33Å; L127-F131 VanDerWaalsContact O-CD2 3.26Å; L127-F131 WeakPolarHBondContact O-CD2 3.3Å; L127-F131 VanDerWaalsContact O-CE2 3.3Å; L127-F131 WeakPolarHBondContact O-CE2 3.32Å; L127-I135 HydrophobicContact CG-CD1 4.49Å
128	I	94.6	Very high	94.6	Very high	12 Å²	12	42 Å²	42	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-42.6	-179.7	-66.5	165.2	0	0	0	111.1	L123 H124 C125 K130 F131 I135 I170 P172	L123-I128 HydrophobicContact CB-CD1 4.24Å; L123-I128 HydrophobicContact CB-CG1 4.17Å; H124-I128 WeakPolarHBondContact O-CG1 3.31Å; H124-I128 PolarHBondContact O-N 3.24Å; H124-I128 VanDerWaalsContact O-N 3.14Å; C125-I128 PolarHBondContact O-N 3.3Å; I128-K130 PolarHBondContact O-N 3.3Å; I128-K130 VanDerWaalsContact O-N 3.15Å; I128-F131 PolarHBondContact O-N 3.1Å; I128-I135 HydrophobicContact CB-CD1 4.43Å; I128-I135 HydrophobicContact CG1-CD1 3.94Å; I128-I135 HydrophobicContact CG1-CG1 4.46Å; I128-I170 HydrophobicContact CD1-CD1 3.93Å; I128-I170 HydrophobicContact CD1-CG1 4.01Å; I128-I170 HydrophobicContact CG1-CD1 3.98Å; I128-I170 HydrophobicContact CG1-CG1 4.25Å; I128-P172 HydrophobicContact CD1-CB 4.07Å; I128-P172 HydrophobicContact CD1-CG 3.86Å
129	D	94.6	Very high	94.8	Very high	121 Å²	121	40.4 Å²	40.4	65%	0.647	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.3	-174.1	-60.2	-23.6	0	0	0	112.9	C125 L127 F131	C125-D129 WeakPolarHBondContact O-CB 3.26Å; C125-D129 PolarHBondContact O-N 2.98Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 3.35Å; D129-F131 VanDerWaalsContact C-N 3.26Å; D129-F131 PolarHBondContact O-N 2.96Å
130	K	95.8	Very high	94.9	Very high	61 Å²	61	40.8 Å²	40.8	27%	0.265	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.9	176.5	-56.1	-169.1	166.6	169.8	0	113.8	V107 E108 G126 L127 I128	V107-K130 HydrophobicContact CB-CD 3.89Å; V107-K130 HydrophobicContact CG1-CB 4.07Å; V107-K130 HydrophobicContact CG1-CD 4.23Å; E108-K130 VanDerWaalsContact OE2-CG 3.31Å; E108-K130 WeakPolarHBondContact OE2-CG 3.44Å; G126-K130 WeakPolarHBondContact O-CE 3.41Å; G126-K130 WeakPolarHBondContact O-CG 3.46Å; L127-K130 WeakPolarHBondContact O-CB 3.38Å; L127-K130 PolarHBondContact O-N 2.97Å; I128-K130 PolarHBondContact O-N 3.3Å; I128-K130 VanDerWaalsContact O-N 3.15Å
131	F	96.9	Very high	95.4	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.031	21%	0.206	C	C	.	.	S	Bend	trans	-106.2	114.6	-178.6	-62.5	-87.3	0	0	0	109.5	L48 F50 V107 F111 L127 I128 D129 F133 G134 I135	L48-F131 HydrophobicContact CB-CE1 3.77Å; L48-F131 HydrophobicContact CB-CZ 3.96Å; L48-F131 HydrophobicContact CD2-CE1 4.48Å; L48-F131 HydrophobicContact CD2-CZ 3.92Å; F50-F131 HydrophobicContact CE2-CZ 4.18Å; F50-F131 HydrophobicContact CZ-CZ 4.24Å; V107-F131 HydrophobicContact CG1-CE1 4.07Å; V107-F131 HydrophobicContact CG1-CE2 3.88Å; V107-F131 HydrophobicContact CG1-CZ 3.51Å; F111-F131 HydrophobicContact CB-CD1 3.94Å; F111-F131 HydrophobicContact CB-CE1 3.63Å; F111-F131 HydrophobicContact CG-CE1 4.33Å; L127-F131 HydrophobicContact CD1-CE2 4.08Å; L127-F131 HydrophobicContact CG-CE2 4.33Å; L127-F131 VanDerWaalsContact O-CD2 3.26Å; L127-F131 WeakPolarHBondContact O-CD2 3.3Å; L127-F131 VanDerWaalsContact O-CE2 3.3Å; L127-F131 WeakPolarHBondContact O-CE2 3.32Å; I128-F131 PolarHBondContact O-N 3.1Å; D129-F131 VanDerWaalsContact C-N 3.26Å; D129-F131 PolarHBondContact O-N 2.96Å; F131-F133 PolarHBondContact O-N 3.46Å; F131-F133 VanDerWaalsContact O-N 3.14Å; F131-G134 VanDerWaalsContact CB-O 3.31Å; F131-G134 WeakPolarHBondContact CB-O 3.45Å; F131-G134 WeakPolarHBondContact O-CA 3.39Å; F131-G134 PolarHBondContact O-N 3.31Å; F131-I135 HydrophobicContact CB-CG1 4.45Å; F131-I135 HydrophobicContact CD2-CD1 3.64Å; F131-I135 HydrophobicContact CD2-CG1 3.5Å; F131-I135 HydrophobicContact CE2-CD1 3.55Å; F131-I135 HydrophobicContact CE2-CG1 3.88Å; F131-I135 HydrophobicContact CG-CG1 4.03Å; F131-I135 HydrophobicContact CZ-CD1 4.45Å
132	P	95.5	Very high	95.8	Very high	99 Å²	99	34.8 Å²	34.8	64%	0.643	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.7	179.8	-28.9	33.8	0	0	0	114.6	F111 D112	F111-P132 WeakPolarHBondContact O-CD 3.44Å; D112-P132 WeakPolarHBondContact O-CD 3.48Å
133	F	96.6	Very high	96.2	Very high	60 Å²	60	32.9 Å²	32.9	26%	0.263	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.9	177.3	-64.2	-92.4	0	0	0	112.9	W45 D112 V113 F131 L216 P217 I220	W45-F133 HydrophobicContact CE3-CD2 4.5Å; W45-F133 HydrophobicContact CH2-CD1 4.22Å; W45-F133 HydrophobicContact CH2-CD2 4.31Å; W45-F133 AromaticContact CH2-CE1 3.95Å; W45-F133 HydrophobicContact CH2-CE1 3.95Å; W45-F133 HydrophobicContact CH2-CE2 4.07Å; W45-F133 HydrophobicContact CH2-CG 4.4Å; W45-F133 AromaticContact CH2-CZ 3.87Å; W45-F133 HydrophobicContact CH2-CZ 3.87Å; W45-F133 HydrophobicContact CZ3-CD1 4.35Å; W45-F133 AromaticContact CZ3-CD2 3.65Å; W45-F133 HydrophobicContact CZ3-CD2 3.65Å; W45-F133 HydrophobicContact CZ3-CE1 4.2Å; W45-F133 AromaticContact CZ3-CE2 3.5Å; W45-F133 HydrophobicContact CZ3-CE2 3.5Å; W45-F133 VanDerWaalsContact CZ3-CE2 3.5Å; W45-F133 HydrophobicContact CZ3-CG 4.1Å; W45-F133 AromaticContact CZ3-CZ 3.78Å; W45-F133 HydrophobicContact CZ3-CZ 3.78Å; D112-F133 HydrophobicContact CB-CD2 4.24Å; D112-F133 PolarHBondContact O-N 3.16Å; V113-F133 HydrophobicContact CG1-CB 4.33Å; V113-F133 HydrophobicContact CG2-CB 3.97Å; V113-F133 HydrophobicContact CG2-CD2 4.46Å; V113-F133 HydrophobicContact CG2-CG 4.43Å; F131-F133 PolarHBondContact O-N 3.46Å; F131-F133 VanDerWaalsContact O-N 3.14Å; F133-L216 HydrophobicContact CB-CD2 3.86Å; F133-L216 HydrophobicContact CD1-CD2 4.21Å; F133-L216 HydrophobicContact CD1-CG 4.44Å; F133-L216 HydrophobicContact CG-CD2 4.16Å; F133-P217 HydrophobicContact CE1-CG 4.22Å; F133-I220 HydrophobicContact CB-CD1 4.12Å; F133-I220 HydrophobicContact CD1-CD1 3.94Å
134	G	96.6	Very high	96.5	Very high	5 Å²	5	33.6 Å²	33.6	5%	0.052	19%	0.193	C	C	.	.			trans	70.3	-161.6	-177.2	0	0	0	0	0	113.5	G114 F131	G114-G134 PolarHBondContact N-O 3.01Å; F131-G134 VanDerWaalsContact CB-O 3.31Å; F131-G134 WeakPolarHBondContact CB-O 3.45Å; F131-G134 WeakPolarHBondContact O-CA 3.39Å; F131-G134 PolarHBondContact O-N 3.31Å
135	I	98.2	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128	179.2	-55.9	-174.9	0	0	0	109.2	G114 V116 L123 L127 I128 F131 I170	G114-I135 CarbonylContact O-C 3.59Å; G114-I135 VanDerWaalsContact O-CA 3.32Å; G114-I135 WeakPolarHBondContact O-CA 3.3Å; V116-I135 HydrophobicContact CB-CG2 4.38Å; V116-I135 HydrophobicContact CG2-CG2 3.48Å; V116-I135 VanDerWaalsContact CG2-CG2 3.48Å; L123-I135 HydrophobicContact CD2-CD1 3.42Å; L123-I135 VanDerWaalsContact CD2-CD1 3.42Å; L123-I135 HydrophobicContact CD2-CG2 4.23Å; L127-I135 HydrophobicContact CG-CD1 4.49Å; I128-I135 HydrophobicContact CB-CD1 4.43Å; I128-I135 HydrophobicContact CG1-CD1 3.94Å; I128-I135 HydrophobicContact CG1-CG1 4.46Å; F131-I135 HydrophobicContact CB-CG1 4.45Å; F131-I135 HydrophobicContact CD2-CD1 3.64Å; F131-I135 HydrophobicContact CD2-CG1 3.5Å; F131-I135 HydrophobicContact CE2-CD1 3.55Å; F131-I135 HydrophobicContact CE2-CG1 3.88Å; F131-I135 HydrophobicContact CG-CG1 4.03Å; F131-I135 HydrophobicContact CZ-CD1 4.45Å; I135-I170 HydrophobicContact CB-CD1 3.65Å; I135-I170 HydrophobicContact CB-CG1 3.82Å; I135-I170 HydrophobicContact CD1-CD1 4.32Å; I135-I170 HydrophobicContact CG2-CD1 3.59Å; I135-I170 HydrophobicContact CG2-CG1 4.15Å; I135-I170 PolarHBondContact O-N 3.45Å
136	L	98.6	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	147.1	176.7	-50.1	-170.7	0	0	0	110	V113 G114 V116 V167 I168 L181 L209 T212 L213 L216	V113-L136 HydrophobicContact CG1-CD1 4.12Å; V113-L136 HydrophobicContact CG1-CG 3.86Å; G114-L136 PolarHBondContact O-N 3.47Å; V116-L136 PolarHBondContact N-O 3.23Å; L136-V167 HydrophobicContact CB-CG1 4.28Å; L136-V167 HydrophobicContact CD1-CG1 4.4Å; L136-I168 CarbonylContact C-O 3.41Å; L136-I168 VanDerWaalsContact CA-O 3.26Å; L136-I168 WeakPolarHBondContact CA-O 3.21Å; L136-L181 HydrophobicContact CD2-CD1 3.4Å; L136-L209 HydrophobicContact CD1-CD1 4.31Å; L136-T212 HydrophobicContact CD1-CG2 4.44Å; L136-L213 HydrophobicContact CD1-CD2 4.03Å; L136-L216 HydrophobicContact CD1-CD1 3.88Å; L136-L216 HydrophobicContact CD2-CD1 4.27Å
137	N	98.7	Very high	97.4	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.08	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.4	168.9	179.8	52	0	0	0	110.7	V116 V167 I168 I170 D176	V116-N137 HydrophobicContact CB-CB 4.48Å; V116-N137 VanDerWaalsContact O-CA 3.3Å; V116-N137 WeakPolarHBondContact O-CA 3.49Å; V116-N137 PolarHBondContact O-OD1 3.47Å; V116-N137 VanDerWaalsContact O-OD1 3.07Å; N137-V167 WeakPolarHBondContact O-CA 3.49Å; N137-I168 HydrophobicContact CB-CD1 4.36Å; N137-I168 HydrophobicContact CB-CG1 3.87Å; N137-I168 PolarHBondContact N-O 3.44Å; N137-I168 PolarHBondContact O-N 3.48Å; N137-I170 HydrophobicContact CB-CG2 3.41Å; N137-I170 VanDerWaalsContact CB-CG2 3.41Å; N137-D176 PolarHBondContact ND2-OD1 3.47Å; N137-D176 VanDerWaalsContact ND2-OD1 3.1Å
138	V	98.8	Very high	97.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108.2	172.9	-175.5	0	0	0	0	108.4	F55 V116 V117 V165 V167 L209	F55-V138 HydrophobicContact CE1-CG1 4.42Å; V116-V138 PolarHBondContact O-N 3.19Å; V116-V138 VanDerWaalsContact O-N 3.1Å; V117-V138 HydrophobicContact CG1-CB 4.23Å; V117-V138 HydrophobicContact CG2-CB 3.94Å; V117-V138 HydrophobicContact CG2-CG2 3.78Å; V138-V165 HydrophobicContact CG1-CG1 3.55Å; V138-V167 HydrophobicContact CG2-CG2 4.42Å; V138-L209 HydrophobicContact CG2-CB 3.9Å; V138-L209 HydrophobicContact CG2-CD1 4.04Å; V138-L209 HydrophobicContact CG2-CD2 4.06Å; V138-L209 HydrophobicContact CG2-CG 4.21Å
139	H	98.7	Very high	97.5	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.032	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.5	-175.2	-169.3	69	0	0	0	111.6	S141 L143 W146 G148 V165 T166 D176	H139-S141 PolarHBondContact CD2-OG 3.48Å; H139-S141 PolarHBondContact NE2-OG 3.37Å; H139-S141 PolarHBondContact O-N 3.24Å; H139-L143 HydrophobicContact CB-CD1 4.1Å; H139-L143 VanDerWaalsContact CD2-CD2 3.48Å; H139-L143 WeakPolarHBondContact CD2-CD2 3.5Å; H139-W146 PolarHBondContact CE1-O 2.87Å; H139-W146 PolarHBondContact NE2-O 3.27Å; H139-G148 PolarHBondContact CE1-O 3.48Å; H139-V165 WeakPolarHBondContact O-CA 3.46Å; H139-V165 WeakPolarHBondContact O-CG1 3.26Å; H139-T166 PolarHBondContact N-O 2.89Å; H139-T166 PolarHBondContact O-N 3.29Å; H139-D176 IonicContact CE1-OD2 3.19Å; H139-D176 PolarHBondContact CE1-OD2 3.09Å; H139-D176 IonicContact ND1-OD1 2.74Å; H139-D176 IonicContact ND1-OD2 3.57Å
140	P	98.4	Very high	97.6	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.071	15%	0.145	C	C	.	.	S	Bend	trans	-82.2	57.3	-175	23.3	-19.8	0	0	0	113.7	F55 P151 V152 G164 L201	F55-P140 HydrophobicContact CE1-CB 4.45Å; F55-P140 HydrophobicContact CE1-CG 4.13Å; F55-P140 HydrophobicContact CE2-CB 3.61Å; F55-P140 HydrophobicContact CE2-CG 3.84Å; F55-P140 HydrophobicContact CZ-CB 3.53Å; F55-P140 HydrophobicContact CZ-CG 3.66Å; P140-P151 HydrophobicContact CB-CG 4.49Å; P140-P151 HydrophobicContact CG-CG 3.75Å; P140-V152 HydrophobicContact CB-CG2 3.79Å; P140-V152 HydrophobicContact CG-CG2 3.95Å; P140-G164 CarbonylContact C-O 3.41Å; P140-G164 VanDerWaalsContact C-O 3.27Å; P140-L201 HydrophobicContact CB-CB 4.24Å; P140-L201 HydrophobicContact CB-CD1 4.11Å
141	S	98.6	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-158	173.3	163.1	57.1	0	0	0	0	110.8	H139 L143 R145 G164 T166	H139-S141 PolarHBondContact CD2-OG 3.48Å; H139-S141 PolarHBondContact NE2-OG 3.37Å; H139-S141 PolarHBondContact O-N 3.24Å; S141-L143 PolarHBondContact O-N 3.03Å; S141-R145 PolarHBondContact OG-O 3.31Å; S141-R145 VanDerWaalsContact OG-O 3.05Å; S141-G164 CarbonylContact C-O 3.53Å; S141-G164 WeakPolarHBondContact CA-O 3.49Å; S141-G164 PolarHBondContact N-O 3.46Å; S141-T166 PolarHBondContact O-N 2.89Å; S141-T166 PolarHBondContact O-OG1 2.9Å
142	L	98.4	Very high	97.8	Very high	39 Å²	39	24.6 Å²	24.6	20%	0.204	14%	0.136	C	C	.	.			trans	-83.9	92	167.5	-63.3	175	0	0	0	109.8	R145 V162 T163 Q183 I185	L142-R145 WeakPolarHBondContact O-CB 3.45Å; L142-R145 PolarHBondContact O-N 2.85Å; L142-V162 HydrophobicContact CD1-CG1 4.14Å; L142-T163 VanDerWaalsContact CD1-O 3.3Å; L142-T163 WeakPolarHBondContact CD1-O 3.33Å; L142-T163 WeakPolarHBondContact CG-O 3.45Å; L142-Q183 HydrophobicContact CD2-CG 3.45Å; L142-Q183 VanDerWaalsContact CD2-CG 3.45Å; L142-I185 HydrophobicContact CD1-CG1 4.18Å; L142-I185 HydrophobicContact CD2-CG1 4.22Å
143	L	98.5	Very high	98	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	141.6	173.9	-70.1	172.8	0	0	0	110.6	H139 S141 R147 T166 I168 D176 I180 Q183	H139-L143 HydrophobicContact CB-CD1 4.1Å; H139-L143 VanDerWaalsContact CD2-CD2 3.48Å; H139-L143 WeakPolarHBondContact CD2-CD2 3.5Å; S141-L143 PolarHBondContact O-N 3.03Å; L143-R147 HydrophobicContact CD2-CG 3.64Å; L143-T166 HydrophobicContact CB-CG2 4.18Å; L143-T166 HydrophobicContact CD1-CG2 4.03Å; L143-T166 HydrophobicContact CG-CG2 4.38Å; L143-T166 PolarHBondContact N-OG1 3.4Å; L143-I168 HydrophobicContact CD1-CD1 4.24Å; L143-I168 HydrophobicContact CD1-CG2 3.55Å; L143-D176 HydrophobicContact CD2-CB 4.24Å; L143-I180 HydrophobicContact CB-CD1 4.19Å; L143-Q183 PolarHBondContact O-NE2 2.83Å
144	P	97.9	Very high	98.1	Very high	24 Å²	24	18.9 Å²	18.9	16%	0.156	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	0.9	15.2	33.7	-37	0	0	0	116.5	Q226 K229 V231 T232	P144-Q226 HydrophobicContact CB-CB 4.38Å; P144-K229 WeakPolarHBondContact CG-O 3.49Å; P144-V231 HydrophobicContact CB-CB 4.47Å; P144-V231 HydrophobicContact CB-CG2 3.74Å; P144-V231 HydrophobicContact CG-CG2 4.4Å; P144-T232 PolarHBondContact O-N 3.33Å
145	R	98.4	Very high	98.2	Very high	87 Å²	87	18.7 Å²	18.7	33%	0.328	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	141.7	176.7	-166.2	178.6	173.2	68.8	-5.2	110.1	S141 L142 D160 T232	S141-R145 PolarHBondContact OG-O 3.31Å; S141-R145 VanDerWaalsContact OG-O 3.05Å; L142-R145 WeakPolarHBondContact O-CB 3.45Å; L142-R145 PolarHBondContact O-N 2.85Å; R145-D160 IonicContact CZ-OD1 2.71Å; R145-D160 IonicContact CZ-OD2 3.87Å; R145-D160 IonicContact NE-OD1 3.02Å; R145-D160 IonicContact NE-OD2 3.81Å; R145-D160 PolarHBondContact NE-OD2 3.32Å; R145-D160 IonicContact NH2-OD1 2.73Å; R145-D160 PolarHBondContact NH2-OD1 3.23Å; R145-D160 IonicContact NH2-OD2 3.85Å; R145-D160 PolarHBondContact NH2-OD2 2.71Å; R145-T232 HydrophobicContact CG-CG2 4.39Å; R145-T232 VanDerWaalsContact CG-OG1 3.27Å; R145-T232 WeakPolarHBondContact CG-OG1 3.49Å
146	W	98.3	Very high	98.2	Very high	11 Å²	11	18.9 Å²	18.9	4%	0.042	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	48.4	176.2	-57.6	134.4	0	0	0	115.7	H139 P151 H154 H158 D160 T232 F233 A234	H139-W146 PolarHBondContact CE1-O 2.87Å; H139-W146 PolarHBondContact NE2-O 3.27Å; W146-P151 HydrophobicContact CB-CB 3.77Å; W146-H154 HydrophobicContact CD2-CB 3.72Å; W146-H154 HydrophobicContact CE3-CB 3.56Å; W146-H154 HydrophobicContact CG-CB 4.42Å; W146-H154 HydrophobicContact CH2-CB 4.02Å; W146-H154 HydrophobicContact CZ2-CB 4.1Å; W146-H154 HydrophobicContact CZ3-CB 3.73Å; W146-H154 AromaticContact CZ3-ND1 3.95Å; W146-H158 HydrophobicContact CH2-CB 4.26Å; W146-H158 AromaticContact CH2-CD2 3.86Å; W146-H158 AromaticContact CH2-CE1 3.39Å; W146-H158 WeakPolarHBondContact CH2-CE1 3.37Å; W146-H158 AromaticContact CH2-CG 3.53Å; W146-H158 AromaticContact CH2-ND1 3.22Å; W146-H158 WeakPolarHBondContact CH2-ND1 3.34Å; W146-H158 AromaticContact CH2-NE2 3.77Å; W146-H158 HydrophobicContact CZ2-CB 3.86Å; W146-H158 AromaticContact CZ2-CG 3.64Å; W146-H158 AromaticContact CZ2-ND1 3.51Å; W146-D160 PolarHBondContact NE1-OD2 2.84Å; W146-T232 PolarHBondContact N-O 3.16Å; W146-T232 PolarHBondContact N-OG1 3.49Å; W146-F233 VanDerWaalsContact CZ3-O 3.32Å; W146-F233 WeakPolarHBondContact CZ3-O 3.47Å; W146-A234 HydrophobicContact CB-CB 3.97Å; W146-A234 HydrophobicContact CD2-CB 4.47Å; W146-A234 HydrophobicContact CE3-CB 3.98Å
147	R	97.9	Very high	98.1	Very high	23 Å²	23	20.3 Å²	20.3	9%	0.087	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-63.8	140.9	166.2	-68.7	-177.9	-176.9	163.4	4.7	111.2	L143 D176 Q226 T232 F233 A234	L143-R147 HydrophobicContact CD2-CG 3.64Å; R147-D176 HydrophobicContact CB-CB 4.11Å; R147-D176 HydrophobicContact CG-CB 4.04Å; R147-D176 PolarHBondContact NE-O 2.81Å; R147-Q226 VanDerWaalsContact CZ-OE1 3.26Å; R147-T232 PolarHBondContact N-O 3.48Å; R147-F233 HydrophobicContact CB-CD1 3.97Å; R147-F233 HydrophobicContact CB-CE1 4.27Å; R147-F233 CarbonylContact O-C 3.54Å; R147-F233 VanDerWaalsContact O-CA 3.32Å; R147-F233 WeakPolarHBondContact O-CA 3.34Å; R147-A234 PolarHBondContact O-N 2.9Å
148	G	96	Very high	98.1	Very high	7 Å²	7	24.6 Å²	24.6	7%	0.072	13%	0.127	C	C	.	.	S	Bend	trans	112.4	-169.5	174.9	0	0	0	0	0	114.1	H139 A150 P151 D176	H139-G148 PolarHBondContact CE1-O 3.48Å; G148-A150 PolarHBondContact O-N 3.35Å; G148-P151 WeakPolarHBondContact O-CD 3.39Å; G148-D176 WeakPolarHBondContact CA-OD2 3.47Å; G148-D176 PolarHBondContact N-OD2 2.76Å
149	P	95.8	Very high	98	Very high	95 Å²	95	26.3 Å²	26.3	62%	0.617	15%	0.145	S	C	*	.	S	Bend	trans	-79.7	-11.1	-159.2	30.2	-39.4	0	0	0	116.4	P151 A234 K236	P149-P151 VanDerWaalsContact C-CD 3.49Å; P149-A234 WeakPolarHBondContact CD-O 3.3Å; P149-K236 HydrophobicContact CG-CB 3.98Å
150	A	97.3	Very high	98	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	15%	0.149	C	C	.	.			trans	-132.9	41.9	-172.2	0	0	0	0	0	115.6	G148 V152 F153 H154 A234 P235 I237	G148-A150 PolarHBondContact O-N 3.35Å; A150-V152 VanDerWaalsContact C-N 3.34Å; A150-V152 PolarHBondContact O-N 3.1Å; A150-F153 HydrophobicContact CB-CB 4.39Å; A150-F153 HydrophobicContact CB-CD2 4.07Å; A150-F153 PolarHBondContact O-N 3.05Å; A150-H154 PolarHBondContact O-CD2 3.42Å; A150-H154 VanDerWaalsContact O-CD2 3.31Å; A150-H154 PolarHBondContact O-N 2.87Å; A150-H154 VanDerWaalsContact O-N 3.16Å; A150-A234 PolarHBondContact N-O 2.99Å; A150-P235 WeakPolarHBondContact CB-O 3.44Å; A150-I237 HydrophobicContact CB-CD1 4.26Å; A150-I237 HydrophobicContact CB-CG1 3.92Å
151	P	98.4	Very high	98	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-38.7	-170.7	25.8	-36.9	0	0	0	114.2	P140 W146 G148 P149 F153 H154 T155 A234	P140-P151 HydrophobicContact CB-CG 4.49Å; P140-P151 HydrophobicContact CG-CG 3.75Å; W146-P151 HydrophobicContact CB-CB 3.77Å; G148-P151 WeakPolarHBondContact O-CD 3.39Å; P149-P151 VanDerWaalsContact C-CD 3.49Å; P151-F153 PolarHBondContact O-N 3.13Å; P151-H154 PolarHBondContact O-N 3.36Å; P151-T155 WeakPolarHBondContact O-CB 3.34Å; P151-T155 PolarHBondContact O-N 3.45Å; P151-T155 PolarHBondContact O-OG1 3.49Å; P151-A234 HydrophobicContact CB-CB 4.35Å
152	V	98.6	Very high	98	Very high	12 Å²	12	34.2 Å²	34.2	7%	0.073	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-45.2	178.8	-178.3	0	0	0	0	111.2	P140 A150 T155 V156 A194 L197 L201	P140-V152 HydrophobicContact CB-CG2 3.79Å; P140-V152 HydrophobicContact CG-CG2 3.95Å; A150-V152 VanDerWaalsContact C-N 3.34Å; A150-V152 PolarHBondContact O-N 3.1Å; V152-T155 WeakPolarHBondContact O-CB 3.32Å; V152-T155 PolarHBondContact O-N 2.77Å; V152-V156 PolarHBondContact O-N 2.83Å; V152-A194 HydrophobicContact CG1-CB 4.39Å; V152-A194 VanDerWaalsContact CG1-O 3.27Å; V152-A194 WeakPolarHBondContact CG1-O 3.22Å; V152-L197 HydrophobicContact CG1-CB 4.01Å; V152-L197 HydrophobicContact CG1-CD2 4.03Å; V152-L197 HydrophobicContact CG1-CG 4.03Å; V152-L201 HydrophobicContact CG2-CD1 4.2Å
153	F	98.4	Very high	98	Very high	31 Å²	31	32.5 Å²	32.5	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-45.2	178.3	-68.4	-84.7	0	0	0	111.5	A150 P151 V156 M157 A194 I237 A260 I261 R264	A150-F153 HydrophobicContact CB-CB 4.39Å; A150-F153 HydrophobicContact CB-CD2 4.07Å; A150-F153 PolarHBondContact O-N 3.05Å; P151-F153 PolarHBondContact O-N 3.13Å; F153-V156 PolarHBondContact O-N 2.73Å; F153-M157 WeakPolarHBondContact O-CB 3.32Å; F153-M157 PolarHBondContact O-N 3.45Å; F153-A194 HydrophobicContact CD1-CB 3.63Å; F153-A194 HydrophobicContact CE1-CB 3.68Å; F153-A194 HydrophobicContact CG-CB 4.26Å; F153-A194 HydrophobicContact CZ-CB 4.37Å; F153-I237 HydrophobicContact CB-CD1 3.53Å; F153-I237 HydrophobicContact CB-CG1 3.64Å; F153-I237 HydrophobicContact CD1-CG1 4Å; F153-I237 HydrophobicContact CD2-CG1 3.99Å; F153-I237 HydrophobicContact CG-CD1 4.07Å; F153-I237 HydrophobicContact CG-CG1 3.59Å; F153-A260 WeakPolarHBondContact CD1-O 3.34Å; F153-A260 WeakPolarHBondContact CE1-O 3.1Å; F153-I261 HydrophobicContact CD1-CG2 4.21Å; F153-R264 VanDerWaalsContact CZ-CZ 3.44Å
154	H	98.6	Very high	98	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-68.8	-34.7	-179.3	-79.4	-87.5	0	0	0	112.6	W146 A150 P151 M157 H158 A234 P235	W146-H154 HydrophobicContact CD2-CB 3.72Å; W146-H154 HydrophobicContact CE3-CB 3.56Å; W146-H154 HydrophobicContact CG-CB 4.42Å; W146-H154 HydrophobicContact CH2-CB 4.02Å; W146-H154 HydrophobicContact CZ2-CB 4.1Å; W146-H154 HydrophobicContact CZ3-CB 3.73Å; W146-H154 AromaticContact CZ3-ND1 3.95Å; A150-H154 PolarHBondContact O-CD2 3.42Å; A150-H154 VanDerWaalsContact O-CD2 3.31Å; A150-H154 PolarHBondContact O-N 2.87Å; A150-H154 VanDerWaalsContact O-N 3.16Å; P151-H154 PolarHBondContact O-N 3.36Å; H154-M157 PolarHBondContact O-N 3.45Å; H154-H158 AromaticContact ND1-CE1 3.52Å; H154-H158 WeakPolarHBondContact O-CB 3.16Å; H154-H158 PolarHBondContact O-N 3.07Å; H154-H158 PolarHBondContact O-ND1 3.1Å; H154-A234 HydrophobicContact CB-CB 3.93Å; H154-A234 WeakPolarHBondContact CD2-CA 3.32Å; H154-P235 WeakPolarHBondContact NE2-CD 3.13Å; H154-P235 PolarHBondContact NE2-O 3.31Å
155	T	98.7	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56	-52.9	171.8	-59.1	0	0	0	0	110.5	P151 V152 G159 D160 T163 V188 L197	P151-T155 WeakPolarHBondContact O-CB 3.34Å; P151-T155 PolarHBondContact O-N 3.45Å; P151-T155 PolarHBondContact O-OG1 3.49Å; V152-T155 WeakPolarHBondContact O-CB 3.32Å; V152-T155 PolarHBondContact O-N 2.77Å; T155-G159 PolarHBondContact O-N 2.89Å; T155-D160 HydrophobicContact CG2-CB 3.77Å; T155-D160 PolarHBondContact O-N 2.74Å; T155-D160 VanDerWaalsContact O-N 3.1Å; T155-T163 HydrophobicContact CG2-CG2 4.04Å; T155-V188 HydrophobicContact CG2-CG2 3.91Å; T155-L197 HydrophobicContact CG2-CD2 3.85Å
156	V	98.7	Very high	98.1	Very high	5 Å²	5	27 Å²	27	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-42.4	179.2	179.4	0	0	0	0	111.4	V152 F153 H158 G159 A194 L197 C256 R259 A260	V152-V156 PolarHBondContact O-N 2.83Å; F153-V156 PolarHBondContact O-N 2.73Å; V156-H158 VanDerWaalsContact C-N 3.3Å; V156-H158 PolarHBondContact O-N 3.3Å; V156-G159 PolarHBondContact O-N 2.73Å; V156-G159 VanDerWaalsContact O-N 3.13Å; V156-A194 HydrophobicContact CG2-CB 4.37Å; V156-L197 HydrophobicContact CG2-CB 4.3Å; V156-L197 HydrophobicContact CG2-CD2 3.62Å; V156-C256 VanDerWaalsContact O-CB 3.31Å; V156-C256 WeakPolarHBondContact O-CB 3.28Å; V156-R259 HydrophobicContact CG1-CB 3.81Å; V156-A260 HydrophobicContact CB-CB 4.08Å; V156-A260 HydrophobicContact CG1-CB 3.99Å
157	M	98.1	Very high	98.1	Very high	30 Å²	30	26.5 Å²	26.5	15%	0.148	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-36.2	-176.7	-175.4	-179	-62.3	0	0	112.7	F153 H154 I237 C256 L257 A260 I261	F153-M157 WeakPolarHBondContact O-CB 3.32Å; F153-M157 PolarHBondContact O-N 3.45Å; H154-M157 PolarHBondContact O-N 3.45Å; M157-I237 HydrophobicContact CE-CD1 3.83Å; M157-C256 WeakPolarHBondContact O-CB 3.36Å; M157-L257 HydrophobicContact CE-CD1 3.88Å; M157-L257 HydrophobicContact CG-CD1 3.93Å; M157-L257 HydrophobicContact SD-CD1 4.06Å; M157-A260 HydrophobicContact CB-CB 3.78Å; M157-A260 HydrophobicContact CE-CB 4.42Å; M157-I261 HydrophobicContact CE-CG2 3.72Å
158	H	97.6	Very high	98.1	Very high	105 Å²	105	25.4 Å²	25.4	49%	0.486	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	1.3	179.8	-66.2	79.9	0	0	0	113.3	W146 H154 V156 D160	W146-H158 HydrophobicContact CH2-CB 4.26Å; W146-H158 AromaticContact CH2-CD2 3.86Å; W146-H158 AromaticContact CH2-CE1 3.39Å; W146-H158 WeakPolarHBondContact CH2-CE1 3.37Å; W146-H158 AromaticContact CH2-CG 3.53Å; W146-H158 AromaticContact CH2-ND1 3.22Å; W146-H158 WeakPolarHBondContact CH2-ND1 3.34Å; W146-H158 AromaticContact CH2-NE2 3.77Å; W146-H158 HydrophobicContact CZ2-CB 3.86Å; W146-H158 AromaticContact CZ2-CG 3.64Å; W146-H158 AromaticContact CZ2-ND1 3.51Å; H154-H158 AromaticContact ND1-CE1 3.52Å; H154-H158 WeakPolarHBondContact O-CB 3.16Å; H154-H158 PolarHBondContact O-N 3.07Å; H154-H158 PolarHBondContact O-ND1 3.1Å; V156-H158 VanDerWaalsContact C-N 3.3Å; V156-H158 PolarHBondContact O-N 3.3Å; H158-D160 VanDerWaalsContact C-N 3.32Å; H158-D160 PolarHBondContact O-N 2.79Å
159	G	97.5	Very high	98.2	Very high	37 Å²	37	26.8 Å²	26.8	38%	0.381	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	30	178	0	0	0	0	0	113.7	T155 V156 T161	T155-G159 PolarHBondContact O-N 2.89Å; V156-G159 PolarHBondContact O-N 2.73Å; V156-G159 VanDerWaalsContact O-N 3.13Å; G159-T161 PolarHBondContact O-N 3.41Å
160	D	98.4	Very high	98.3	Very high	25 Å²	25	23.3 Å²	23.3	13%	0.134	13%	0.134	C	C	.	.			trans	-59.9	128.3	175.9	-71.5	-1.4	0	0	0	109.5	R145 W146 T155 H158 V188	R145-D160 IonicContact CZ-OD1 2.71Å; R145-D160 IonicContact CZ-OD2 3.87Å; R145-D160 IonicContact NE-OD1 3.02Å; R145-D160 IonicContact NE-OD2 3.81Å; R145-D160 PolarHBondContact NE-OD2 3.32Å; R145-D160 IonicContact NH2-OD1 2.73Å; R145-D160 PolarHBondContact NH2-OD1 3.23Å; R145-D160 IonicContact NH2-OD2 3.85Å; R145-D160 PolarHBondContact NH2-OD2 2.71Å; W146-D160 PolarHBondContact NE1-OD2 2.84Å; T155-D160 HydrophobicContact CG2-CB 3.77Å; T155-D160 PolarHBondContact O-N 2.74Å; T155-D160 VanDerWaalsContact O-N 3.1Å; H158-D160 VanDerWaalsContact C-N 3.32Å; H158-D160 PolarHBondContact O-N 2.79Å; D160-V188 WeakPolarHBondContact O-CB 3.46Å; D160-V188 WeakPolarHBondContact O-CG1 3.41Å; D160-V188 VanDerWaalsContact O-CG2 3.31Å; D160-V188 WeakPolarHBondContact O-CG2 3.3Å
161	T	97.9	Very high	98.1	Very high	104 Å²	104	28.4 Å²	28.4	64%	0.638	15%	0.152	S	C	*	.	S	Bend	trans	-84	-17.5	177.7	54.5	0	0	0	0	112.6	G159 V188	G159-T161 PolarHBondContact O-N 3.41Å; T161-V188 PolarHBondContact O-N 2.93Å
162	V	98.4	Very high	97.6	Very high	55 Å²	55	30.3 Å²	30.3	33%	0.333	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.6	-179	-175.9	0	0	0	0	109.3	L142 I185	L142-V162 HydrophobicContact CD1-CG1 4.14Å; V162-I185 HydrophobicContact CG1-CG2 3.48Å; V162-I185 VanDerWaalsContact CG1-CG2 3.48Å
163	T	98.7	Very high	96.8	Very high	4 Å²	4	34 Å²	34	3%	0.025	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-157.8	172.3	-166.4	0	0	0	0	108.9	L142 T155 I185 H186 V188 L197 L201	L142-T163 VanDerWaalsContact CD1-O 3.3Å; L142-T163 WeakPolarHBondContact CD1-O 3.33Å; L142-T163 WeakPolarHBondContact CG-O 3.45Å; T155-T163 HydrophobicContact CG2-CG2 4.04Å; T163-I185 CarbonylContact O-C 3.49Å; T163-H186 CarbonylContact C-O 3.59Å; T163-H186 HydrophobicContact CG2-CB 4.24Å; T163-H186 PolarHBondContact N-O 3.01Å; T163-H186 PolarHBondContact O-N 3.2Å; T163-H186 VanDerWaalsContact O-O 3.11Å; T163-V188 HydrophobicContact CG2-CG2 3.52Å; T163-L197 HydrophobicContact CG2-CD1 4.06Å; T163-L197 HydrophobicContact CG2-CD2 4.37Å; T163-L201 HydrophobicContact CG2-CD1 4.02Å; T163-L201 HydrophobicContact CG2-CD2 4.17Å
164	G	98.5	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-164.5	178.1	0	0	0	0	0	112.8	P140 S141 E184	P140-G164 CarbonylContact C-O 3.41Å; P140-G164 VanDerWaalsContact C-O 3.27Å; S141-G164 CarbonylContact C-O 3.53Å; S141-G164 WeakPolarHBondContact CA-O 3.49Å; S141-G164 PolarHBondContact N-O 3.46Å; G164-E184 CarbonylContact C-O 3.47Å; G164-E184 WeakPolarHBondContact CA-O 3.36Å
165	V	98.8	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	170.7	-172.9	0	0	0	0	108.7	V138 H139 Q183 E184 L201 K204 L208	V138-V165 HydrophobicContact CG1-CG1 3.55Å; H139-V165 WeakPolarHBondContact O-CA 3.46Å; H139-V165 WeakPolarHBondContact O-CG1 3.26Å; V165-Q183 WeakPolarHBondContact O-CA 3.49Å; V165-E184 PolarHBondContact N-O 2.92Å; V165-E184 PolarHBondContact O-N 3.47Å; V165-L201 HydrophobicContact CG2-CB 4.14Å; V165-L201 HydrophobicContact CG2-CD2 3.94Å; V165-L201 WeakPolarHBondContact CG2-O 3.45Å; V165-K204 HydrophobicContact CG2-CB 4.16Å; V165-K204 HydrophobicContact CG2-CD 4.28Å; V165-K204 HydrophobicContact CG2-CG 4.03Å; V165-L208 HydrophobicContact CB-CD2 3.97Å; V165-L208 HydrophobicContact CG1-CD2 4.11Å; V165-L208 WeakPolarHBondContact O-CD2 3.31Å
166	T	98.9	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.7	174.9	-50.6	0	0	0	0	109.6	H139 S141 L143 I168 I180 N182 Q183	H139-T166 PolarHBondContact N-O 2.89Å; H139-T166 PolarHBondContact O-N 3.29Å; S141-T166 PolarHBondContact O-N 2.89Å; S141-T166 PolarHBondContact O-OG1 2.9Å; L143-T166 HydrophobicContact CB-CG2 4.18Å; L143-T166 HydrophobicContact CD1-CG2 4.03Å; L143-T166 HydrophobicContact CG-CG2 4.38Å; L143-T166 PolarHBondContact N-OG1 3.4Å; T166-I168 HydrophobicContact CG2-CG2 3.68Å; T166-I180 HydrophobicContact CG2-CB 4.24Å; T166-I180 HydrophobicContact CG2-CD1 4.05Å; T166-I180 HydrophobicContact CG2-CG1 3.78Å; T166-I180 HydrophobicContact CG2-CG2 3.68Å; T166-N182 WeakPolarHBondContact CA-O 3.49Å; T166-Q183 HydrophobicContact CG2-CB 4.31Å; T166-Q183 HydrophobicContact CG2-CG 4.32Å; T166-Q183 PolarHBondContact OG1-NE2 3.26Å
167	V	98.9	Very high	95.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.5	165.8	-177.4	0	0	0	0	108.3	L136 N137 V138 L181 N182 L208 T212	L136-V167 HydrophobicContact CB-CG1 4.28Å; L136-V167 HydrophobicContact CD1-CG1 4.4Å; N137-V167 WeakPolarHBondContact O-CA 3.49Å; V138-V167 HydrophobicContact CG2-CG2 4.42Å; V167-L181 PolarHBondContact O-N 3.28Å; V167-N182 HydrophobicContact CB-CB 4.33Å; V167-N182 PolarHBondContact N-O 3.44Å; V167-N182 PolarHBondContact O-N 3.46Å; V167-L208 HydrophobicContact CG2-CB 4.45Å; V167-L208 HydrophobicContact CG2-CD2 3.97Å; V167-L208 HydrophobicContact CG2-CG 3.9Å; V167-T212 HydrophobicContact CB-CG2 4.49Å; V167-T212 HydrophobicContact CG1-CG2 3.93Å
168	I	98.7	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	157.7	178.3	65.9	173.6	0	0	0	110.8	L136 N137 L143 T166 P179 I180	L136-I168 CarbonylContact C-O 3.41Å; L136-I168 VanDerWaalsContact CA-O 3.26Å; L136-I168 WeakPolarHBondContact CA-O 3.21Å; N137-I168 HydrophobicContact CB-CD1 4.36Å; N137-I168 HydrophobicContact CB-CG1 3.87Å; N137-I168 PolarHBondContact N-O 3.44Å; N137-I168 PolarHBondContact O-N 3.48Å; L143-I168 HydrophobicContact CD1-CD1 4.24Å; L143-I168 HydrophobicContact CD1-CG2 3.55Å; T166-I168 HydrophobicContact CG2-CG2 3.68Å; I168-P179 VanDerWaalsContact CA-O 3.24Å; I168-P179 WeakPolarHBondContact CA-O 3.44Å; I168-P179 WeakPolarHBondContact CB-O 3.39Å; I168-I180 HydrophobicContact CG2-CG1 4.12Å
169	Q	98	Very high	95.4	Very high	36 Å²	36	37.6 Å²	37.6	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.8	160.3	-169.5	178.1	-0.9	0	0	108.3	G178 P179 L181 K223	Q169-G178 VanDerWaalsContact O-CA 3.23Å; Q169-G178 WeakPolarHBondContact O-CA 3.4Å; Q169-P179 HydrophobicContact CB-CG 4.27Å; Q169-P179 PolarHBondContact N-O 3.3Å; Q169-P179 WeakPolarHBondContact O-CD 3.37Å; Q169-L181 HydrophobicContact CB-CD1 4.4Å; Q169-L181 HydrophobicContact CB-CD2 4.47Å; Q169-K223 VanDerWaalsContact OE1-NZ 3.15Å
170	I	96.4	Very high	95.5	Very high	23 Å²	23	36.9 Å²	36.9	12%	0.118	19%	0.188	C	C	.	.			trans	-71	156	-174.6	70.4	178.1	0	0	0	112.2	L123 I128 I135 N137	L123-I170 HydrophobicContact CB-CD1 3.87Å; L123-I170 HydrophobicContact CD2-CD1 4.02Å; L123-I170 HydrophobicContact CG-CD1 4.34Å; I128-I170 HydrophobicContact CD1-CD1 3.93Å; I128-I170 HydrophobicContact CD1-CG1 4.01Å; I128-I170 HydrophobicContact CG1-CD1 3.98Å; I128-I170 HydrophobicContact CG1-CG1 4.25Å; I135-I170 HydrophobicContact CB-CD1 3.65Å; I135-I170 HydrophobicContact CB-CG1 3.82Å; I135-I170 HydrophobicContact CD1-CD1 4.32Å; I135-I170 HydrophobicContact CG2-CD1 3.59Å; I135-I170 HydrophobicContact CG2-CG1 4.15Å; I135-I170 PolarHBondContact O-N 3.45Å; N137-I170 HydrophobicContact CB-CG2 3.41Å; N137-I170 VanDerWaalsContact CB-CG2 3.41Å
171	R	93.3	Very high	95.5	Very high	113 Å²	113	36.2 Å²	36.2	43%	0.426	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-108	145.7	170.8	-65.5	-72.2	-167.5	170.9	0.6	109.1	N173 V177 E225	R171-N173 PolarHBondContact O-N 3.1Å; R171-V177 HydrophobicContact CB-CG2 4.1Å; R171-V177 HydrophobicContact CG-CG2 4.24Å; R171-E225 IonicContact CZ-OE1 2.63Å; R171-E225 IonicContact NH2-OE1 3.4Å; R171-E225 PolarHBondContact NH2-OE1 3.29Å
172	P	88.6	Confident	95.6	Very high	48 Å²	48	32.6 Å²	32.6	31%	0.312	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	138.5	177.4	-24.1	32.5	0	0	0	112.4	C125 I128 K174	C125-P172 HydrophobicContact CB-CB 4.04Å; C125-P172 HydrophobicContact CB-CG 4.03Å; I128-P172 HydrophobicContact CD1-CB 4.07Å; I128-P172 HydrophobicContact CD1-CG 3.86Å; P172-K174 PolarHBondContact O-N 3.18Å
173	N	81.4	Confident	95.6	Very high	88 Å²	88	33.7 Å²	33.7	47%	0.471	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	17.2	171.5	-50.5	-42.5	0	0	0	115.8	L123 H124 R171	L123-N173 PolarHBondContact O-N 3.21Å; H124-N173 PolarHBondContact ND1-OD1 3.28Å; R171-N173 PolarHBondContact O-N 3.1Å
174	K	88.3	Confident	95.5	Very high	137 Å²	137	36.8 Å²	36.8	60%	0.596	18%	0.177	S	C	*	.	B	Isolated β-bridge	trans	-136.1	137.2	177.6	-63.4	-174.8	-179.2	-178.7	0	110.6	P172 V177	P172-K174 PolarHBondContact O-N 3.18Å; K174-V177 HydrophobicContact CB-CG2 3.45Å; K174-V177 VanDerWaalsContact CB-CG2 3.45Å; K174-V177 HydrophobicContact CD-CG2 3.8Å; K174-V177 HydrophobicContact CG-CG2 4.27Å
175	F	89.3	Confident	95.6	Very high	60 Å²	60	41.8 Å²	41.8	26%	0.263	20%	0.203	S	C	.	.	S	Bend	trans	-86	132.8	174.4	-71.3	-67.3	0	0	0	111.4	L122 V177	L122-F175 HydrophobicContact CB-CZ 4.4Å; L122-F175 HydrophobicContact CD1-CE2 4.08Å; L122-F175 HydrophobicContact CD1-CZ 4.41Å; L122-F175 HydrophobicContact CD2-CD1 3.83Å; L122-F175 HydrophobicContact CD2-CD2 3.59Å; L122-F175 HydrophobicContact CD2-CE1 3.6Å; L122-F175 HydrophobicContact CD2-CE2 3.36Å; L122-F175 HydrophobicContact CD2-CG 3.83Å; L122-F175 HydrophobicContact CD2-CZ 3.37Å; L122-F175 HydrophobicContact CG-CD2 4.24Å; L122-F175 HydrophobicContact CG-CE1 4.05Å; L122-F175 HydrophobicContact CG-CE2 3.51Å; L122-F175 HydrophobicContact CG-CZ 3.4Å; F175-V177 WeakPolarHBondContact O-CG1 3.46Å; F175-V177 PolarHBondContact O-N 3.34Å
176	D	94.6	Very high	95.5	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.08	21%	0.211	C	C	.	.	S	Bend	trans	56.5	23	162.7	-44.9	-38.9	0	0	0	116.9	N137 H139 L143 R147 G148 Q226	N137-D176 PolarHBondContact ND2-OD1 3.47Å; N137-D176 VanDerWaalsContact ND2-OD1 3.1Å; H139-D176 IonicContact CE1-OD2 3.19Å; H139-D176 PolarHBondContact CE1-OD2 3.09Å; H139-D176 IonicContact ND1-OD1 2.74Å; H139-D176 IonicContact ND1-OD2 3.57Å; L143-D176 HydrophobicContact CD2-CB 4.24Å; R147-D176 HydrophobicContact CB-CB 4.11Å; R147-D176 HydrophobicContact CG-CB 4.04Å; R147-D176 PolarHBondContact NE-O 2.81Å; G148-D176 WeakPolarHBondContact CA-OD2 3.47Å; G148-D176 PolarHBondContact N-OD2 2.76Å; D176-Q226 PolarHBondContact O-NE2 2.86Å; D176-Q226 PolarHBondContact O-OE1 3.43Å
177	V	95.3	Very high	95.5	Very high	41 Å²	41	49.6 Å²	49.6	25%	0.248	24%	0.239	C	C	.	.			trans	-101.4	-6.4	177.9	-59.7	0	0	0	0	114.2	R171 K174 F175	R171-V177 HydrophobicContact CB-CG2 4.1Å; R171-V177 HydrophobicContact CG-CG2 4.24Å; K174-V177 HydrophobicContact CB-CG2 3.45Å; K174-V177 VanDerWaalsContact CB-CG2 3.45Å; K174-V177 HydrophobicContact CD-CG2 3.8Å; K174-V177 HydrophobicContact CG-CG2 4.27Å; F175-V177 WeakPolarHBondContact O-CG1 3.46Å; F175-V177 PolarHBondContact O-N 3.34Å
178	G	96.7	Very high	95.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	25%	0.246	C	C	.	.	S	Bend	trans	-70.5	162.8	-173.3	0	0	0	0	0	113.8	Q169 Q226	Q169-G178 VanDerWaalsContact O-CA 3.23Å; Q169-G178 WeakPolarHBondContact O-CA 3.4Å; G178-Q226 PolarHBondContact O-NE2 3.36Å
179	P	98	Very high	95.4	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.013	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62.8	142.2	-179.3	26.6	-35.6	0	0	0	111.2	I168 Q169 K223 R224	I168-P179 VanDerWaalsContact CA-O 3.24Å; I168-P179 WeakPolarHBondContact CA-O 3.44Å; I168-P179 WeakPolarHBondContact CB-O 3.39Å; Q169-P179 HydrophobicContact CB-CG 4.27Å; Q169-P179 PolarHBondContact N-O 3.3Å; Q169-P179 WeakPolarHBondContact O-CD 3.37Å; P179-K223 HydrophobicContact CB-CB 4.16Å; P179-K223 HydrophobicContact CB-CD 4.09Å; P179-K223 HydrophobicContact CB-CG 4.02Å; P179-K223 HydrophobicContact CG-CD 3.81Å; P179-K223 HydrophobicContact CG-CG 4.31Å; P179-R224 CarbonylContact C-O 3.55Å; P179-R224 VanDerWaalsContact CA-O 3.27Å; P179-R224 WeakPolarHBondContact CA-O 3.49Å
180	I	98.7	Very high	95.1	Very high	23 Å²	23	61.3 Å²	61.3	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.9	178	-59.8	178.6	0	0	0	109.3	L143 T166 I168 Q183 K223 R224 Q226	L143-I180 HydrophobicContact CB-CD1 4.19Å; T166-I180 HydrophobicContact CG2-CB 4.24Å; T166-I180 HydrophobicContact CG2-CD1 4.05Å; T166-I180 HydrophobicContact CG2-CG1 3.78Å; T166-I180 HydrophobicContact CG2-CG2 3.68Å; I168-I180 HydrophobicContact CG2-CG1 4.12Å; I180-Q183 HydrophobicContact CG2-CB 4.16Å; I180-K223 WeakPolarHBondContact O-CA 3.49Å; I180-R224 PolarHBondContact N-O 3.26Å; I180-R224 PolarHBondContact O-N 2.95Å; I180-Q226 HydrophobicContact CD1-CG 3.99Å; I180-Q226 HydrophobicContact CG1-CG 3.87Å
181	L	98.8	Very high	94.9	Very high	11 Å²	11	66.2 Å²	66.2	6%	0.058	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-43.1	172.1	-57.2	-174.2	0	0	0	110.9	L136 V167 Q169 T212 L216 K219 I220 K223	L136-L181 HydrophobicContact CD2-CD1 3.4Å; V167-L181 PolarHBondContact O-N 3.28Å; Q169-L181 HydrophobicContact CB-CD1 4.4Å; Q169-L181 HydrophobicContact CB-CD2 4.47Å; L181-T212 HydrophobicContact CB-CG2 4.09Å; L181-T212 HydrophobicContact CD1-CG2 4.2Å; L181-L216 HydrophobicContact CD1-CD1 4.18Å; L181-K219 HydrophobicContact CB-CB 4.38Å; L181-K219 WeakPolarHBondContact O-CD 3.31Å; L181-I220 HydrophobicContact CD1-CG1 4.4Å; L181-I220 HydrophobicContact CD2-CG1 4.19Å; L181-K223 HydrophobicContact CD2-CB 3.51Å; L181-K223 HydrophobicContact CD2-CD 4.34Å
182	N	98.6	Very high	95	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.4	-177.6	-148	9.6	0	0	0	110.3	T166 V167 L208 T212 K219	T166-N182 WeakPolarHBondContact CA-O 3.49Å; V167-N182 HydrophobicContact CB-CB 4.33Å; V167-N182 PolarHBondContact N-O 3.44Å; V167-N182 PolarHBondContact O-N 3.46Å; N182-L208 HydrophobicContact CB-CD1 4.1Å; N182-L208 HydrophobicContact CB-CG 4.34Å; N182-L208 VanDerWaalsContact ND2-CD1 3.26Å; N182-L208 WeakPolarHBondContact ND2-CD1 3.33Å; N182-T212 HydrophobicContact CB-CG2 4.49Å; N182-T212 VanDerWaalsContact CB-OG1 3.23Å; N182-T212 WeakPolarHBondContact CB-OG1 3.43Å; N182-T212 PolarHBondContact ND2-OG1 3.24Å; N182-T212 VanDerWaalsContact ND2-OG1 3.17Å; N182-K219 PolarHBondContact OD1-NZ 3.31Å; N182-K219 VanDerWaalsContact OD1-NZ 3.1Å
183	Q	98.4	Very high	95.4	Very high	78 Å²	78	61 Å²	61	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.2	-179.3	-171.1	174.3	73.2	0	0	109.5	L142 L143 V165 T166 I180	L142-Q183 HydrophobicContact CD2-CG 3.45Å; L142-Q183 VanDerWaalsContact CD2-CG 3.45Å; L143-Q183 PolarHBondContact O-NE2 2.83Å; V165-Q183 WeakPolarHBondContact O-CA 3.49Å; T166-Q183 HydrophobicContact CG2-CB 4.31Å; T166-Q183 HydrophobicContact CG2-CG 4.32Å; T166-Q183 PolarHBondContact OG1-NE2 3.26Å; I180-Q183 HydrophobicContact CG2-CB 4.16Å
184	E	98.6	Very high	96.2	Very high	70 Å²	70	57 Å²	57	33%	0.327	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.8	-179.6	-164.1	-167.8	157.9	0	0	111.1	G164 V165 K204 L208	G164-E184 CarbonylContact C-O 3.47Å; G164-E184 WeakPolarHBondContact CA-O 3.36Å; V165-E184 PolarHBondContact N-O 2.92Å; V165-E184 PolarHBondContact O-N 3.47Å; E184-K204 HydrophobicContact CB-CD 4.38Å; E184-K204 VanDerWaalsContact CD-NZ 3.27Å; E184-K204 HydrophobicContact CG-CD 4.31Å; E184-K204 IonicContact OE1-NZ 2.66Å; E184-K204 PolarHBondContact OE1-NZ 3.3Å; E184-K204 WeakPolarHBondContact OE2-CG 2.7Å; E184-K204 IonicContact OE2-NZ 3.54Å; E184-L208 HydrophobicContact CB-CD1 3.93Å; E184-L208 HydrophobicContact CB-CD2 4.12Å
185	I	98.6	Very high	96.7	Very high	105 Å²	105	53.4 Å²	53.4	54%	0.538	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	147	-178.2	-63.6	173.6	0	0	0	111	L142 V162 T163	L142-I185 HydrophobicContact CD1-CG1 4.18Å; L142-I185 HydrophobicContact CD2-CG1 4.22Å; V162-I185 HydrophobicContact CG1-CG2 3.48Å; V162-I185 VanDerWaalsContact CG1-CG2 3.48Å; T163-I185 CarbonylContact O-C 3.49Å
186	H	98.5	Very high	97.1	Very high	39 Å²	39	55 Å²	55	18%	0.181	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.7	171.5	-172.6	75.2	0	0	0	110.1	T163 L201 K204	T163-H186 CarbonylContact C-O 3.59Å; T163-H186 HydrophobicContact CG2-CB 4.24Å; T163-H186 PolarHBondContact N-O 3.01Å; T163-H186 PolarHBondContact O-N 3.2Å; T163-H186 VanDerWaalsContact O-O 3.11Å; H186-L201 HydrophobicContact CB-CD2 3.8Å; H186-K204 HydrophobicContact CB-CD 4.16Å; H186-K204 WeakPolarHBondContact ND1-CE 3.49Å
187	Q	98.6	Very high	97.3	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.584	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.7	172.5	-64.8	-60.9	-38	0	0	109.2	P189	Q187-P189 VanDerWaalsContact O-CD 3.3Å; Q187-P189 WeakPolarHBondContact O-CD 3.42Å
188	V	98.3	Very high	97.4	Very high	23 Å²	23	53.1 Å²	53.1	14%	0.139	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-80.7	117.5	179.8	-178.6	0	0	0	0	108.5	T155 D160 T161 T163 K190 C192 L197	T155-V188 HydrophobicContact CG2-CG2 3.91Å; D160-V188 WeakPolarHBondContact O-CB 3.46Å; D160-V188 WeakPolarHBondContact O-CG1 3.41Å; D160-V188 VanDerWaalsContact O-CG2 3.31Å; D160-V188 WeakPolarHBondContact O-CG2 3.3Å; T161-V188 PolarHBondContact O-N 2.93Å; T163-V188 HydrophobicContact CG2-CG2 3.52Å; V188-K190 PolarHBondContact O-N 3.42Å; V188-C192 VanDerWaalsContact CG1-SG 3.6Å; V188-L197 HydrophobicContact CG1-CD2 4.41Å; V188-L197 HydrophobicContact CG2-CD1 4.48Å
189	P	96.6	Very high	97.5	Very high	71 Å²	71	55.9 Å²	55.9	46%	0.461	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.4	134.2	177.8	-19.4	31.5	0	0	0	111	Q187 N191 C192	Q187-P189 VanDerWaalsContact O-CD 3.3Å; Q187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-N191 PolarHBondContact O-N 3.4Å; P189-C192 HydrophobicContact CB-CB 4.04Å; P189-C192 HydrophobicContact CG-CB 4.21Å; P189-C192 PolarHBondContact O-N 3.2Å; P189-C192 PolarHBondContact O-SG 3.44Å
190	K	91.7	Very high	97.5	Very high	188 Å²	188	57.5 Å²	57.5	82%	0.817	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-34.5	-170.8	-171.9	174.7	-179.7	177.4	0	115.2	V188	V188-K190 PolarHBondContact O-N 3.42Å
191	N	91.3	Very high	97.5	Very high	125 Å²	125	56.4 Å²	56.4	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	13.8	-175.4	-62.6	-28.2	0	0	0	113.6	P189 R259	P189-N191 PolarHBondContact O-N 3.4Å; N191-R259 WeakPolarHBondContact O-CD 3.24Å
192	C	96.1	Very high	97.5	Very high	12 Å²	12	56 Å²	56	8%	0.081	30%	0.302	C	S	.	.			trans	-67.5	144.4	179.9	69.8	0	0	0	0	111.6	V188 P189 D196 R259	V188-C192 VanDerWaalsContact CG1-SG 3.6Å; P189-C192 HydrophobicContact CB-CB 4.04Å; P189-C192 HydrophobicContact CG-CB 4.21Å; P189-C192 PolarHBondContact O-N 3.2Å; P189-C192 PolarHBondContact O-SG 3.44Å; C192-D196 HydrophobicContact CB-CB 4.06Å; C192-R259 WeakPolarHBondContact O-CD 3.45Å
193	T	98.2	Very high	97.5	Very high	41 Å²	41	58.8 Å²	58.8	25%	0.252	32%	0.316	S	S	.	.			trans	-79.8	167.2	166.2	64.9	0	0	0	0	110.9	E195 D196 L197 R259	T193-E195 PolarHBondContact O-N 2.93Å; T193-E195 PolarHBondContact OG1-N 3.39Å; T193-D196 WeakPolarHBondContact CB-OD2 3.18Å; T193-D196 PolarHBondContact N-OD2 3.19Å; T193-D196 PolarHBondContact O-N 3.34Å; T193-D196 PolarHBondContact OG1-N 3.4Å; T193-D196 VanDerWaalsContact OG1-N 3.12Å; T193-D196 PolarHBondContact OG1-OD2 2.89Å; T193-L197 WeakPolarHBondContact O-CB 3.46Å; T193-L197 PolarHBondContact O-N 2.84Å; T193-R259 WeakPolarHBondContact CA-O 3.3Å
194	A	98	Very high	97.5	Very high	3 Å²	3	57 Å²	57	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-31.1	171	0	0	0	0	0	112.1	V152 F153 V156 G198 R259 A260	V152-A194 HydrophobicContact CG1-CB 4.39Å; V152-A194 VanDerWaalsContact CG1-O 3.27Å; V152-A194 WeakPolarHBondContact CG1-O 3.22Å; F153-A194 HydrophobicContact CD1-CB 3.63Å; F153-A194 HydrophobicContact CE1-CB 3.68Å; F153-A194 HydrophobicContact CG-CB 4.26Å; F153-A194 HydrophobicContact CZ-CB 4.37Å; V156-A194 HydrophobicContact CG2-CB 4.37Å; A194-G198 PolarHBondContact O-N 3.26Å; A194-R259 PolarHBondContact N-O 3.07Å; A194-A260 WeakPolarHBondContact CB-O 3.48Å
195	E	97.2	Very high	97.5	Very high	62 Å²	62	53.7 Å²	53.7	29%	0.29	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-50	172.5	-76	71.2	-146.3	0	0	112	T193 L197 G198 A199 S263 R264	T193-E195 PolarHBondContact O-N 2.93Å; T193-E195 PolarHBondContact OG1-N 3.39Å; E195-L197 PolarHBondContact O-N 3.38Å; E195-G198 PolarHBondContact O-N 3.35Å; E195-A199 PolarHBondContact O-N 3.18Å; E195-S263 PolarHBondContact OE1-OG 3.19Å; E195-S263 PolarHBondContact OE2-OG 3.01Å; E195-R264 IonicContact OE1-CZ 3.44Å; E195-R264 VanDerWaalsContact OE1-CZ 3.26Å; E195-R264 IonicContact OE1-NE 3.58Å; E195-R264 PolarHBondContact OE1-NE 3.21Å; E195-R264 IonicContact OE1-NH2 3.55Å; E195-R264 PolarHBondContact OE1-NH2 2.87Å
196	D	97.9	Very high	97.5	Very high	92 Å²	92	49 Å²	49	49%	0.492	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-47.3	179.7	-57.9	-43.7	0	0	0	111.1	C192 T193 G198 A199 A200	C192-D196 HydrophobicContact CB-CB 4.06Å; T193-D196 WeakPolarHBondContact CB-OD2 3.18Å; T193-D196 PolarHBondContact N-OD2 3.19Å; T193-D196 PolarHBondContact O-N 3.34Å; T193-D196 PolarHBondContact OG1-N 3.4Å; T193-D196 VanDerWaalsContact OG1-N 3.12Å; T193-D196 PolarHBondContact OG1-OD2 2.89Å; D196-G198 VanDerWaalsContact C-N 3.35Å; D196-A199 PolarHBondContact O-N 3.42Å; D196-A200 PolarHBondContact O-N 2.81Å; D196-A200 VanDerWaalsContact O-N 3.09Å
197	L	98.6	Very high	97.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-41.9	179.1	-176.4	63.4	0	0	0	111.1	V152 T155 V156 T163 V188 T193 E195 A199 A200 L201	V152-L197 HydrophobicContact CG1-CB 4.01Å; V152-L197 HydrophobicContact CG1-CD2 4.03Å; V152-L197 HydrophobicContact CG1-CG 4.03Å; T155-L197 HydrophobicContact CG2-CD2 3.85Å; V156-L197 HydrophobicContact CG2-CB 4.3Å; V156-L197 HydrophobicContact CG2-CD2 3.62Å; T163-L197 HydrophobicContact CG2-CD1 4.06Å; T163-L197 HydrophobicContact CG2-CD2 4.37Å; V188-L197 HydrophobicContact CG1-CD2 4.41Å; V188-L197 HydrophobicContact CG2-CD1 4.48Å; T193-L197 WeakPolarHBondContact O-CB 3.46Å; T193-L197 PolarHBondContact O-N 2.84Å; E195-L197 PolarHBondContact O-N 3.38Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-A199 PolarHBondContact O-N 3.31Å; L197-A200 PolarHBondContact O-N 3.16Å; L197-L201 HydrophobicContact CD1-CD1 4.1Å; L197-L201 HydrophobicContact CD1-CG 4.08Å; L197-L201 HydrophobicContact CD2-CD1 4.42Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.24Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.17Å; L197-L201 PolarHBondContact O-N 3.17Å
198	G	98.4	Very high	97.6	Very high	16 Å²	16	44.6 Å²	44.6	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-43.3	177.3	0	0	0	0	0	112.4	F55 A194 E195 D196 L201 A202	F55-G198 WeakPolarHBondContact CD2-O 3.46Å; A194-G198 PolarHBondContact O-N 3.26Å; E195-G198 PolarHBondContact O-N 3.35Å; D196-G198 VanDerWaalsContact C-N 3.35Å; G198-L201 PolarHBondContact O-N 3.15Å; G198-A202 WeakPolarHBondContact O-CB 3.34Å; G198-A202 PolarHBondContact O-N 3.2Å
199	A	98.2	Very high	97.6	Very high	59 Å²	59	43.5 Å²	43.5	49%	0.488	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-44.4	175.8	0	0	0	0	0	112.1	E195 D196 L197 A202 I203	E195-A199 PolarHBondContact O-N 3.18Å; D196-A199 PolarHBondContact O-N 3.42Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-A199 PolarHBondContact O-N 3.31Å; A199-A202 PolarHBondContact O-N 3.49Å; A199-I203 PolarHBondContact O-N 3.26Å
200	A	98.4	Very high	97.6	Very high	37 Å²	37	41.2 Å²	41.2	31%	0.306	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-44.1	177.7	0	0	0	0	0	112.3	D196 L197 I203 K204	D196-A200 PolarHBondContact O-N 2.81Å; D196-A200 VanDerWaalsContact O-N 3.09Å; L197-A200 PolarHBondContact O-N 3.16Å; A200-I203 PolarHBondContact O-N 3.29Å; A200-K204 PolarHBondContact O-N 3.17Å
201	L	98.8	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.3	-28.6	178.9	-66.5	-179.2	0	0	0	112.7	F55 P140 V152 T163 V165 H186 L197 G198 K204 G205	F55-L201 HydrophobicContact CE2-CB 3.98Å; P140-L201 HydrophobicContact CB-CB 4.24Å; P140-L201 HydrophobicContact CB-CD1 4.11Å; V152-L201 HydrophobicContact CG2-CD1 4.2Å; T163-L201 HydrophobicContact CG2-CD1 4.02Å; T163-L201 HydrophobicContact CG2-CD2 4.17Å; V165-L201 HydrophobicContact CG2-CB 4.14Å; V165-L201 HydrophobicContact CG2-CD2 3.94Å; V165-L201 WeakPolarHBondContact CG2-O 3.45Å; H186-L201 HydrophobicContact CB-CD2 3.8Å; L197-L201 HydrophobicContact CD1-CD1 4.1Å; L197-L201 HydrophobicContact CD1-CG 4.08Å; L197-L201 HydrophobicContact CD2-CD1 4.42Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.24Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.17Å; L197-L201 PolarHBondContact O-N 3.17Å; G198-L201 PolarHBondContact O-N 3.15Å; L201-K204 PolarHBondContact O-N 3.19Å; L201-G205 PolarHBondContact O-N 2.7Å
202	A	98.8	Very high	98.1	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-46.3	174.6	0	0	0	0	0	111	F55 E58 G198 A199 G205 A206	F55-A202 HydrophobicContact CB-CB 4.36Å; F55-A202 HydrophobicContact CD2-CB 3.49Å; F55-A202 VanDerWaalsContact CD2-CB 3.49Å; F55-A202 HydrophobicContact CE2-CB 3.81Å; F55-A202 HydrophobicContact CG-CB 3.93Å; F55-A202 HydrophobicContact CZ-CB 4.47Å; E58-A202 HydrophobicContact CB-CB 3.98Å; E58-A202 HydrophobicContact CG-CB 3.69Å; G198-A202 WeakPolarHBondContact O-CB 3.34Å; G198-A202 PolarHBondContact O-N 3.2Å; A199-A202 PolarHBondContact O-N 3.49Å; A202-G205 PolarHBondContact O-N 3.19Å; A202-A206 PolarHBondContact O-N 2.63Å
203	I	98.6	Very high	98.2	Very high	86 Å²	86	29.7 Å²	29.7	44%	0.441	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-48.1	176.7	-62.8	169	0	0	0	110	E58 A199 A200 G205 A206 H207	E58-I203 HydrophobicContact CG-CG1 4.43Å; A199-I203 PolarHBondContact O-N 3.26Å; A200-I203 PolarHBondContact O-N 3.29Å; I203-G205 VanDerWaalsContact C-N 3.3Å; I203-G205 PolarHBondContact O-N 2.74Å; I203-A206 WeakPolarHBondContact O-CB 3.37Å; I203-A206 PolarHBondContact O-N 3.4Å; I203-H207 PolarHBondContact O-N 2.92Å; I203-H207 PolarHBondContact O-ND1 3.31Å
204	K	98.8	Very high	98	Very high	41 Å²	41	32.4 Å²	32.4	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-43.5	177.2	179.8	170.3	-67.4	-59.3	0	111.7	V165 E184 H186 A200 L201 A206 H207 L208	V165-K204 HydrophobicContact CG2-CB 4.16Å; V165-K204 HydrophobicContact CG2-CD 4.28Å; V165-K204 HydrophobicContact CG2-CG 4.03Å; E184-K204 HydrophobicContact CB-CD 4.38Å; E184-K204 VanDerWaalsContact CD-NZ 3.27Å; E184-K204 HydrophobicContact CG-CD 4.31Å; E184-K204 IonicContact OE1-NZ 2.66Å; E184-K204 PolarHBondContact OE1-NZ 3.3Å; E184-K204 WeakPolarHBondContact OE2-CG 2.7Å; E184-K204 IonicContact OE2-NZ 3.54Å; H186-K204 HydrophobicContact CB-CD 4.16Å; H186-K204 WeakPolarHBondContact ND1-CE 3.49Å; A200-K204 PolarHBondContact O-N 3.17Å; L201-K204 PolarHBondContact O-N 3.19Å; K204-A206 PolarHBondContact O-N 2.8Å; K204-H207 PolarHBondContact O-N 3.29Å; K204-L208 WeakPolarHBondContact O-CB 3.36Å; K204-L208 PolarHBondContact O-N 2.88Å
205	G	98.8	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-36.4	-179.9	0	0	0	0	0	113.6	L201 A202 I203 L208 L209	L201-G205 PolarHBondContact O-N 2.7Å; A202-G205 PolarHBondContact O-N 3.19Å; I203-G205 VanDerWaalsContact C-N 3.3Å; I203-G205 PolarHBondContact O-N 2.74Å; G205-L208 PolarHBondContact O-N 3.49Å; G205-L209 VanDerWaalsContact O-CB 3.26Å; G205-L209 WeakPolarHBondContact O-CB 3.26Å; G205-L209 PolarHBondContact O-N 3.31Å
206	A	98.7	Very high	97.8	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-48.6	172.8	0	0	0	0	0	111.6	E58 L62 A202 I203 K204 L209 L210	E58-A206 HydrophobicContact CB-CB 4.47Å; E58-A206 WeakPolarHBondContact O-CB 3.35Å; L62-A206 HydrophobicContact CB-CB 4.26Å; L62-A206 HydrophobicContact CD2-CB 4.04Å; L62-A206 WeakPolarHBondContact CD2-O 3.14Å; A202-A206 PolarHBondContact O-N 2.63Å; I203-A206 WeakPolarHBondContact O-CB 3.37Å; I203-A206 PolarHBondContact O-N 3.4Å; K204-A206 PolarHBondContact O-N 2.8Å; A206-L209 WeakPolarHBondContact O-CB 3.44Å; A206-L209 PolarHBondContact O-N 3.12Å; A206-L210 PolarHBondContact O-N 3.07Å; A206-L210 VanDerWaalsContact O-N 3.07Å
207	H	98.4	Very high	97.7	Very high	69 Å²	69	33.1 Å²	33.1	32%	0.319	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-45.6	178.1	-66.3	93.1	0	0	0	111.6	I203 K204 L209 L210 D211	I203-H207 PolarHBondContact O-N 2.92Å; I203-H207 PolarHBondContact O-ND1 3.31Å; K204-H207 PolarHBondContact O-N 3.29Å; H207-L209 VanDerWaalsContact C-N 3.26Å; H207-L209 PolarHBondContact O-N 2.98Å; H207-L210 PolarHBondContact O-N 3.39Å; H207-L210 VanDerWaalsContact O-N 3.1Å; H207-D211 PolarHBondContact O-N 3.38Å
208	L	98.8	Very high	97.6	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-36.8	178.4	-171.4	65.9	0	0	0	112.2	V165 V167 N182 E184 K204 G205 T212	V165-L208 HydrophobicContact CB-CD2 3.97Å; V165-L208 HydrophobicContact CG1-CD2 4.11Å; V165-L208 WeakPolarHBondContact O-CD2 3.31Å; V167-L208 HydrophobicContact CG2-CB 4.45Å; V167-L208 HydrophobicContact CG2-CD2 3.97Å; V167-L208 HydrophobicContact CG2-CG 3.9Å; N182-L208 HydrophobicContact CB-CD1 4.1Å; N182-L208 HydrophobicContact CB-CG 4.34Å; N182-L208 VanDerWaalsContact ND2-CD1 3.26Å; N182-L208 WeakPolarHBondContact ND2-CD1 3.33Å; E184-L208 HydrophobicContact CB-CD1 3.93Å; E184-L208 HydrophobicContact CB-CD2 4.12Å; K204-L208 WeakPolarHBondContact O-CB 3.36Å; K204-L208 PolarHBondContact O-N 2.88Å; G205-L208 PolarHBondContact O-N 3.49Å; L208-T212 WeakPolarHBondContact O-CB 3.27Å; L208-T212 PolarHBondContact O-N 3.02Å; L208-T212 PolarHBondContact O-OG1 3.32Å
209	L	98.6	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-48.5	173.2	172.9	65.6	0	0	0	111.2	L63 V115 L136 V138 G205 A206 H207 D211 T212 L213	L63-L209 HydrophobicContact CD1-CD2 4.09Å; L63-L209 HydrophobicContact CD2-CD2 4.49Å; L63-L209 HydrophobicContact CG-CD2 4.45Å; V115-L209 HydrophobicContact CG1-CD1 4Å; V115-L209 HydrophobicContact CG1-CD2 3.58Å; V115-L209 HydrophobicContact CG1-CG 4.44Å; V115-L209 HydrophobicContact CG2-CD1 4.27Å; L136-L209 HydrophobicContact CD1-CD1 4.31Å; V138-L209 HydrophobicContact CG2-CB 3.9Å; V138-L209 HydrophobicContact CG2-CD1 4.04Å; V138-L209 HydrophobicContact CG2-CD2 4.06Å; V138-L209 HydrophobicContact CG2-CG 4.21Å; G205-L209 VanDerWaalsContact O-CB 3.26Å; G205-L209 WeakPolarHBondContact O-CB 3.26Å; G205-L209 PolarHBondContact O-N 3.31Å; A206-L209 WeakPolarHBondContact O-CB 3.44Å; A206-L209 PolarHBondContact O-N 3.12Å; H207-L209 VanDerWaalsContact C-N 3.26Å; H207-L209 PolarHBondContact O-N 2.98Å; L209-D211 PolarHBondContact O-N 3.02Å; L209-T212 WeakPolarHBondContact O-CB 3.18Å; L209-T212 PolarHBondContact O-N 3.4Å; L209-T212 VanDerWaalsContact O-N 3.13Å; L209-L213 HydrophobicContact CD1-CD1 4.27Å; L209-L213 HydrophobicContact CD1-CG 4.29Å; L209-L213 HydrophobicContact CG-CD1 4.18Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.86Å
210	L	97.1	Very high	97.5	Very high	23 Å²	23	38.7 Å²	38.7	12%	0.12	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-47.3	178.6	-178	62.3	0	0	0	111.4	L62 I73 A206 H207 T212 L213 M214	L62-L210 HydrophobicContact CD1-CD2 4.34Å; L62-L210 HydrophobicContact CD2-CB 4.03Å; L62-L210 HydrophobicContact CD2-CD2 3.93Å; L62-L210 HydrophobicContact CG-CD2 4.07Å; I73-L210 HydrophobicContact CD1-CD1 4.03Å; I73-L210 HydrophobicContact CG2-CD1 4.01Å; A206-L210 PolarHBondContact O-N 3.07Å; A206-L210 VanDerWaalsContact O-N 3.07Å; H207-L210 PolarHBondContact O-N 3.39Å; H207-L210 VanDerWaalsContact O-N 3.1Å; L210-T212 PolarHBondContact O-N 3.36Å; L210-L213 PolarHBondContact O-N 3.39Å; L210-L213 VanDerWaalsContact O-N 3.08Å; L210-M214 WeakPolarHBondContact O-CG 3.31Å; L210-M214 PolarHBondContact O-N 2.72Å
211	D	96.4	Very high	97.4	Very high	82 Å²	82	40.7 Å²	40.7	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-35.8	175.5	-73.1	-14.5	0	0	0	112.2	H207 L209	H207-D211 PolarHBondContact O-N 3.38Å; L209-D211 PolarHBondContact O-N 3.02Å
212	T	97.8	Very high	97.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-42.9	176.4	-55.3	0	0	0	0	111	L136 V167 L181 N182 L208 L209 L210 K215 L216 K219	L136-T212 HydrophobicContact CD1-CG2 4.44Å; V167-T212 HydrophobicContact CB-CG2 4.49Å; V167-T212 HydrophobicContact CG1-CG2 3.93Å; L181-T212 HydrophobicContact CB-CG2 4.09Å; L181-T212 HydrophobicContact CD1-CG2 4.2Å; N182-T212 HydrophobicContact CB-CG2 4.49Å; N182-T212 VanDerWaalsContact CB-OG1 3.23Å; N182-T212 WeakPolarHBondContact CB-OG1 3.43Å; N182-T212 PolarHBondContact ND2-OG1 3.24Å; N182-T212 VanDerWaalsContact ND2-OG1 3.17Å; L208-T212 WeakPolarHBondContact O-CB 3.27Å; L208-T212 PolarHBondContact O-N 3.02Å; L208-T212 PolarHBondContact O-OG1 3.32Å; L209-T212 WeakPolarHBondContact O-CB 3.18Å; L209-T212 PolarHBondContact O-N 3.4Å; L209-T212 VanDerWaalsContact O-N 3.13Å; L210-T212 PolarHBondContact O-N 3.36Å; T212-K215 CarbonylContact O-C 3.49Å; T212-K215 PolarHBondContact O-N 2.97Å; T212-L216 HydrophobicContact CG2-CD1 4.24Å; T212-L216 WeakPolarHBondContact O-CA 3.24Å; T212-L216 PolarHBondContact O-N 2.91Å; T212-K219 HydrophobicContact CG2-CB 4.37Å; T212-K219 HydrophobicContact CG2-CG 4.38Å
213	L	96.8	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-39.1	177.9	-71.5	171.6	0	0	0	112.1	W45 L47 L63 L136 L209 L210 K215 L216	W45-L213 PolarHBondContact NE1-O 3.27Å; L47-L213 HydrophobicContact CD1-CD1 4.01Å; L47-L213 HydrophobicContact CD2-CD2 4.22Å; L63-L213 HydrophobicContact CD2-CD1 3.59Å; L136-L213 HydrophobicContact CD1-CD2 4.03Å; L209-L213 HydrophobicContact CD1-CD1 4.27Å; L209-L213 HydrophobicContact CD1-CG 4.29Å; L209-L213 HydrophobicContact CG-CD1 4.18Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.86Å; L210-L213 PolarHBondContact O-N 3.39Å; L210-L213 VanDerWaalsContact O-N 3.08Å; L213-K215 PolarHBondContact O-N 3.49Å; L213-K215 VanDerWaalsContact O-N 3.16Å; L213-L216 HydrophobicContact CD2-CD2 4.26Å; L213-L216 PolarHBondContact O-N 2.87Å
214	M	94.6	Very high	97.3	Very high	98 Å²	98	54.3 Å²	54.3	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-25.4	177.5	-72.3	178.9	75.1	0	0	113.6	I73 L210	I73-M214 HydrophobicContact CD1-CE 4.22Å; I73-M214 HydrophobicContact CD1-CG 3.57Å; I73-M214 HydrophobicContact CD1-SD 3.87Å; I73-M214 HydrophobicContact CG1-CG 4.22Å; I73-M214 HydrophobicContact CG2-CG 4.48Å; L210-M214 WeakPolarHBondContact O-CG 3.31Å; L210-M214 PolarHBondContact O-N 2.72Å
215	K	94.8	Very high	97.2	Very high	116 Å²	116	57.6 Å²	57.6	50%	0.504	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	27.1	-176.6	-59	179.4	-176.3	177.1	0	112	T212 L213 E218 K219	T212-K215 CarbonylContact O-C 3.49Å; T212-K215 PolarHBondContact O-N 2.97Å; L213-K215 PolarHBondContact O-N 3.49Å; L213-K215 VanDerWaalsContact O-N 3.16Å; K215-E218 WeakPolarHBondContact O-CB 3.14Å; K215-E218 PolarHBondContact O-N 3.29Å; K215-E218 VanDerWaalsContact O-N 3.16Å; K215-K219 HydrophobicContact CB-CG 4.12Å; K215-K219 VanDerWaalsContact O-CG 3.3Å; K215-K219 WeakPolarHBondContact O-CG 3.12Å; K215-K219 PolarHBondContact O-N 3.22Å
216	L	95.8	Very high	97.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-45.2	-165.7	-175.2	61.4	0	0	0	114.3	W45 V113 F133 L136 L181 T212 L213 E218 K219 I220	W45-L216 HydrophobicContact CH2-CB 4.3Å; W45-L216 HydrophobicContact CH2-CD2 4.18Å; W45-L216 HydrophobicContact CZ2-CB 3.76Å; W45-L216 HydrophobicContact CZ2-CD2 4.13Å; V113-L216 HydrophobicContact CB-CD2 4.48Å; V113-L216 HydrophobicContact CG1-CD2 3.95Å; V113-L216 HydrophobicContact CG2-CD2 3.66Å; F133-L216 HydrophobicContact CB-CD2 3.86Å; F133-L216 HydrophobicContact CD1-CD2 4.21Å; F133-L216 HydrophobicContact CD1-CG 4.44Å; F133-L216 HydrophobicContact CG-CD2 4.16Å; L136-L216 HydrophobicContact CD1-CD1 3.88Å; L136-L216 HydrophobicContact CD2-CD1 4.27Å; L181-L216 HydrophobicContact CD1-CD1 4.18Å; T212-L216 HydrophobicContact CG2-CD1 4.24Å; T212-L216 WeakPolarHBondContact O-CA 3.24Å; T212-L216 PolarHBondContact O-N 2.91Å; L213-L216 HydrophobicContact CD2-CD2 4.26Å; L213-L216 PolarHBondContact O-N 2.87Å; L216-E218 VanDerWaalsContact C-N 3.33Å; L216-E218 PolarHBondContact O-N 3.34Å; L216-K219 PolarHBondContact O-N 3.01Å; L216-I220 HydrophobicContact CD1-CD1 3.81Å; L216-I220 HydrophobicContact CD1-CG1 3.94Å; L216-I220 HydrophobicContact CD2-CD1 4.42Å; L216-I220 HydrophobicContact CG-CD1 3.78Å; L216-I220 HydrophobicContact CG-CG1 4.32Å; L216-I220 WeakPolarHBondContact O-CB 3.41Å; L216-I220 WeakPolarHBondContact O-CG1 3.36Å; L216-I220 PolarHBondContact O-N 3.28Å
217	P	95.8	Very high	96.9	Very high	56 Å²	56	64.8 Å²	64.8	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-59.1	-43.1	178.1	-24.8	35.4	0	0	0	112.7	L43 W45 F133 I220 A221	L43-P217 HydrophobicContact CD1-CG 4.19Å; W45-P217 HydrophobicContact CH2-CG 4.34Å; F133-P217 HydrophobicContact CE1-CG 4.22Å; P217-I220 PolarHBondContact O-N 3.49Å; P217-A221 WeakPolarHBondContact O-CB 3.5Å; P217-A221 PolarHBondContact O-N 3.31Å
218	E	96.4	Very high	96.6	Very high	111 Å²	111	69 Å²	69	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.6	-173.7	-161.2	151.6	0	0	111.4	K215 L216 I220 A221 N222	K215-E218 WeakPolarHBondContact O-CB 3.14Å; K215-E218 PolarHBondContact O-N 3.29Å; K215-E218 VanDerWaalsContact O-N 3.16Å; L216-E218 VanDerWaalsContact C-N 3.33Å; L216-E218 PolarHBondContact O-N 3.34Å; E218-I220 VanDerWaalsContact C-N 3.34Å; E218-I220 PolarHBondContact O-N 3.07Å; E218-A221 PolarHBondContact O-N 2.89Å; E218-N222 WeakPolarHBondContact O-CB 3.44Å; E218-N222 PolarHBondContact O-N 3.15Å; E218-N222 PolarHBondContact O-ND2 3.03Å
219	K	97.6	Very high	96.4	Very high	47 Å²	47	77.1 Å²	77.1	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-64.8	-37.3	179.1	-68.5	-75.3	178.3	177.5	0	112.1	L181 N182 T212 K215 L216 N222 K223	L181-K219 HydrophobicContact CB-CB 4.38Å; L181-K219 WeakPolarHBondContact O-CD 3.31Å; N182-K219 PolarHBondContact OD1-NZ 3.31Å; N182-K219 VanDerWaalsContact OD1-NZ 3.1Å; T212-K219 HydrophobicContact CG2-CB 4.37Å; T212-K219 HydrophobicContact CG2-CG 4.38Å; K215-K219 HydrophobicContact CB-CG 4.12Å; K215-K219 VanDerWaalsContact O-CG 3.3Å; K215-K219 WeakPolarHBondContact O-CG 3.12Å; K215-K219 PolarHBondContact O-N 3.22Å; L216-K219 PolarHBondContact O-N 3.01Å; K219-N222 CarbonylContact O-C 3.58Å; K219-K223 PolarHBondContact O-N 3.33Å; K219-K223 VanDerWaalsContact O-N 3.13Å
220	I	97.6	Very high	96.1	Very high	35 Å²	35	79.5 Å²	79.5	18%	0.179	40%	0.401	C	S	.	.	H	α-helix	trans	-69.1	-42.8	174.2	-71.9	172.2	0	0	0	110.9	F133 L181 L216 P217 E218 N222 K223	F133-I220 HydrophobicContact CB-CD1 4.12Å; F133-I220 HydrophobicContact CD1-CD1 3.94Å; L181-I220 HydrophobicContact CD1-CG1 4.4Å; L181-I220 HydrophobicContact CD2-CG1 4.19Å; L216-I220 HydrophobicContact CD1-CD1 3.81Å; L216-I220 HydrophobicContact CD1-CG1 3.94Å; L216-I220 HydrophobicContact CD2-CD1 4.42Å; L216-I220 HydrophobicContact CG-CD1 3.78Å; L216-I220 HydrophobicContact CG-CG1 4.32Å; L216-I220 WeakPolarHBondContact O-CB 3.41Å; L216-I220 WeakPolarHBondContact O-CG1 3.36Å; L216-I220 PolarHBondContact O-N 3.28Å; P217-I220 PolarHBondContact O-N 3.49Å; E218-I220 VanDerWaalsContact C-N 3.34Å; E218-I220 PolarHBondContact O-N 3.07Å; I220-N222 PolarHBondContact O-N 3.11Å; I220-K223 WeakPolarHBondContact O-CB 3.48Å; I220-K223 WeakPolarHBondContact O-CD 3.32Å; I220-K223 VanDerWaalsContact O-CG 3.25Å; I220-K223 WeakPolarHBondContact O-CG 3.37Å; I220-K223 PolarHBondContact O-N 2.95Å
221	A	97.4	Very high	96.1	Very high	80 Å²	80	80.2 Å²	80.2	66%	0.661	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-35.6	177.2	0	0	0	0	0	112.1	P217 E218	P217-A221 WeakPolarHBondContact O-CB 3.5Å; P217-A221 PolarHBondContact O-N 3.31Å; E218-A221 PolarHBondContact O-N 2.89Å
222	N	97.6	Very high	96.2	Very high	104 Å²	104	78 Å²	78	56%	0.556	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	17.9	-178.6	-65.2	-53.5	0	0	0	114.1	E218 K219 I220	E218-N222 WeakPolarHBondContact O-CB 3.44Å; E218-N222 PolarHBondContact O-N 3.15Å; E218-N222 PolarHBondContact O-ND2 3.03Å; K219-N222 CarbonylContact O-C 3.58Å; I220-N222 PolarHBondContact O-N 3.11Å
223	K	97.6	Very high	96.2	Very high	80 Å²	80	82.6 Å²	82.6	35%	0.348	42%	0.416	S	S	.	.			trans	-63.7	144.7	-178.1	73.5	-168.9	178.4	-168	0	111.5	Q169 P179 I180 L181 K219 I220	Q169-K223 VanDerWaalsContact OE1-NZ 3.15Å; P179-K223 HydrophobicContact CB-CB 4.16Å; P179-K223 HydrophobicContact CB-CD 4.09Å; P179-K223 HydrophobicContact CB-CG 4.02Å; P179-K223 HydrophobicContact CG-CD 3.81Å; P179-K223 HydrophobicContact CG-CG 4.31Å; I180-K223 WeakPolarHBondContact O-CA 3.49Å; L181-K223 HydrophobicContact CD2-CB 3.51Å; L181-K223 HydrophobicContact CD2-CD 4.34Å; K219-K223 PolarHBondContact O-N 3.33Å; K219-K223 VanDerWaalsContact O-N 3.13Å; I220-K223 WeakPolarHBondContact O-CB 3.48Å; I220-K223 WeakPolarHBondContact O-CD 3.32Å; I220-K223 VanDerWaalsContact O-CG 3.25Å; I220-K223 WeakPolarHBondContact O-CG 3.37Å; I220-K223 PolarHBondContact O-N 2.95Å
224	R	97.8	Very high	96.2	Very high	189 Å²	189	82.6 Å²	82.6	71%	0.713	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-117	128.8	-177.5	-72.1	177.9	-91.3	176.3	-5.6	110.7	P179 I180	P179-R224 CarbonylContact C-O 3.55Å; P179-R224 VanDerWaalsContact CA-O 3.27Å; P179-R224 WeakPolarHBondContact CA-O 3.49Å; I180-R224 PolarHBondContact N-O 3.26Å; I180-R224 PolarHBondContact O-N 2.95Å
225	E	97.6	Very high	96.3	Very high	111 Å²	111	80.8 Å²	80.8	52%	0.519	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.2	145.7	171.2	-69.2	-62.9	161.7	0	0	110.2	R171	R171-E225 IonicContact CZ-OE1 2.63Å; R171-E225 IonicContact NH2-OE1 3.4Å; R171-E225 PolarHBondContact NH2-OE1 3.29Å
226	Q	97.1	Very high	96.3	Very high	20 Å²	20	82.7 Å²	82.7	9%	0.093	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-72.4	135	178.9	-66	-176.4	38.6	0	0	110.6	P144 R147 D176 G178 I180	P144-Q226 HydrophobicContact CB-CB 4.38Å; R147-Q226 VanDerWaalsContact CZ-OE1 3.26Å; D176-Q226 PolarHBondContact O-NE2 2.86Å; D176-Q226 PolarHBondContact O-OE1 3.43Å; G178-Q226 PolarHBondContact O-NE2 3.36Å; I180-Q226 HydrophobicContact CD1-CG 3.99Å; I180-Q226 HydrophobicContact CG1-CG 3.87Å
227	E	93.5	Very high	96.3	Very high	136 Å²	136	84.2 Å²	84.2	64%	0.636	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.2	149.3	171.9	-63.8	-175.7	-171.1	0	0	111.5	K229 V231	E227-K229 VanDerWaalsContact C-N 3.32Å; E227-V231 WeakPolarHBondContact O-CG2 3.45Å
228	L	91.5	Very high	96.3	Very high	158 Å²	158	84.7 Å²	84.7	83%	0.827	43%	0.428	S	S	*	.	S	Bend	trans	-74.7	-26.9	171.1	-65.4	178	0	0	0	111.8	V231	L228-V231 VanDerWaalsContact O-CG2 3.27Å; L228-V231 WeakPolarHBondContact O-CG2 3.37Å
229	K	95.3	Very high	96.2	Very high	174 Å²	174	82.9 Å²	82.9	76%	0.757	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	134.2	175.8	-170.9	178.5	179	-177.8	0	109.5	P144 E227 V231	P144-K229 WeakPolarHBondContact CG-O 3.49Å; E227-K229 VanDerWaalsContact C-N 3.32Å; K229-V231 VanDerWaalsContact C-N 3.32Å; K229-V231 PolarHBondContact O-N 3.43Å
230	G	91.6	Very high	96	Very high	49 Å²	49	83.6 Å²	83.6	51%	0.505	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	4.6	178	0	0	0	0	0	115.3	T232	G230-T232 PolarHBondContact O-N 2.78Å
231	V	97.3	Very high	95.9	Very high	39 Å²	39	84.1 Å²	84.1	24%	0.236	44%	0.437	C	S	.	.			trans	-60.7	121.9	171.3	176.9	0	0	0	0	109.6	P144 E227 L228 K229 F233	P144-V231 HydrophobicContact CB-CB 4.47Å; P144-V231 HydrophobicContact CB-CG2 3.74Å; P144-V231 HydrophobicContact CG-CG2 4.4Å; E227-V231 WeakPolarHBondContact O-CG2 3.45Å; L228-V231 VanDerWaalsContact O-CG2 3.27Å; L228-V231 WeakPolarHBondContact O-CG2 3.37Å; K229-V231 VanDerWaalsContact C-N 3.32Å; K229-V231 PolarHBondContact O-N 3.43Å; V231-F233 HydrophobicContact CG1-CE1 4.32Å; V231-F233 HydrophobicContact CG1-CE2 4.21Å; V231-F233 HydrophobicContact CG1-CZ 3.9Å
232	T	97.9	Very high	95.9	Very high	36 Å²	36	80.3 Å²	80.3	22%	0.221	41%	0.406	C	S	.	.			trans	-132.8	164.6	168.2	70.7	0	0	0	0	110	P144 R145 W146 R147 G230	P144-T232 PolarHBondContact O-N 3.33Å; R145-T232 HydrophobicContact CG-CG2 4.39Å; R145-T232 VanDerWaalsContact CG-OG1 3.27Å; R145-T232 WeakPolarHBondContact CG-OG1 3.49Å; W146-T232 PolarHBondContact N-O 3.16Å; W146-T232 PolarHBondContact N-OG1 3.49Å; R147-T232 PolarHBondContact N-O 3.48Å; G230-T232 PolarHBondContact O-N 2.78Å
233	F	97.7	Very high	95.9	Very high	96 Å²	96	77.2 Å²	77.2	42%	0.421	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-120.1	140.1	-175.7	-61	-73.9	0	0	0	111.6	W146 R147 V231 P235 W369	W146-F233 VanDerWaalsContact CZ3-O 3.32Å; W146-F233 WeakPolarHBondContact CZ3-O 3.47Å; R147-F233 HydrophobicContact CB-CD1 3.97Å; R147-F233 HydrophobicContact CB-CE1 4.27Å; R147-F233 CarbonylContact O-C 3.54Å; R147-F233 VanDerWaalsContact O-CA 3.32Å; R147-F233 WeakPolarHBondContact O-CA 3.34Å; V231-F233 HydrophobicContact CG1-CE1 4.32Å; V231-F233 HydrophobicContact CG1-CE2 4.21Å; V231-F233 HydrophobicContact CG1-CZ 3.9Å; F233-P235 WeakPolarHBondContact O-CD 3.32Å; F233-W369 HydrophobicContact CD1-CH2 4.23Å; F233-W369 AromaticContact CD1-CZ2 3.43Å; F233-W369 HydrophobicContact CD1-CZ2 3.43Å; F233-W369 VanDerWaalsContact CD1-CZ2 3.43Å; F233-W369 HydrophobicContact CE1-CH2 4.1Å; F233-W369 AromaticContact CE1-CZ2 3.54Å; F233-W369 HydrophobicContact CE1-CZ2 3.54Å; F233-W369 HydrophobicContact CG-CZ2 4.26Å; F233-W369 HydrophobicContact CZ-CZ2 4.48Å
234	A	97.9	Very high	95.9	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.37	C	S	.	.			trans	-114.1	73.2	178.3	0	0	0	0	0	110	W146 R147 P149 A150 P151 H154	W146-A234 HydrophobicContact CB-CB 3.97Å; W146-A234 HydrophobicContact CD2-CB 4.47Å; W146-A234 HydrophobicContact CE3-CB 3.98Å; R147-A234 PolarHBondContact O-N 2.9Å; P149-A234 WeakPolarHBondContact CD-O 3.3Å; A150-A234 PolarHBondContact N-O 2.99Å; P151-A234 HydrophobicContact CB-CB 4.35Å; H154-A234 HydrophobicContact CB-CB 3.93Å; H154-A234 WeakPolarHBondContact CD2-CA 3.32Å
235	P	96.4	Very high	95.8	Very high	59 Å²	59	67.5 Å²	67.5	38%	0.383	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-61.8	158.5	-179.3	27.4	-36.7	0	0	0	111.9	A150 H154 F233 I237 M241	A150-P235 WeakPolarHBondContact CB-O 3.44Å; H154-P235 WeakPolarHBondContact NE2-CD 3.13Å; H154-P235 PolarHBondContact NE2-O 3.31Å; F233-P235 WeakPolarHBondContact O-CD 3.32Å; P235-I237 PolarHBondContact O-N 3.45Å; P235-M241 HydrophobicContact CB-CE 4.49Å; P235-M241 HydrophobicContact CG-CE 3.96Å
236	K	95.2	Very high	95.7	Very high	156 Å²	156	62.2 Å²	62.2	68%	0.678	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-56.2	130.7	-178.7	-173.4	175	-179.5	177.5	0	111	P149 N238	P149-K236 HydrophobicContact CG-CB 3.98Å; K236-N238 PolarHBondContact O-N 3.26Å; K236-N238 PolarHBondContact O-ND2 2.92Å
237	I	95.9	Very high	95.7	Very high	32 Å²	32	65 Å²	65	16%	0.164	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.1	132.1	176.1	-55.5	-59.2	0	0	0	109.8	A150 F153 M157 P235 M241 I261 I265	A150-I237 HydrophobicContact CB-CD1 4.26Å; A150-I237 HydrophobicContact CB-CG1 3.92Å; F153-I237 HydrophobicContact CB-CD1 3.53Å; F153-I237 HydrophobicContact CB-CG1 3.64Å; F153-I237 HydrophobicContact CD1-CG1 4Å; F153-I237 HydrophobicContact CD2-CG1 3.99Å; F153-I237 HydrophobicContact CG-CD1 4.07Å; F153-I237 HydrophobicContact CG-CG1 3.59Å; M157-I237 HydrophobicContact CE-CD1 3.83Å; P235-I237 PolarHBondContact O-N 3.45Å; I237-M241 HydrophobicContact CD1-SD 3.82Å; I237-M241 HydrophobicContact CG2-SD 4.48Å; I237-I261 HydrophobicContact CD1-CG2 4.22Å; I237-I261 HydrophobicContact CG1-CG2 4.44Å; I237-I261 HydrophobicContact CG2-CB 4.32Å; I237-I261 HydrophobicContact CG2-CG2 3.58Å; I237-I265 HydrophobicContact CG2-CD1 3.84Å
238	N	95.1	Very high	95.8	Very high	67 Å²	67	63.7 Å²	63.7	36%	0.358	33%	0.334	S	S	.	.			trans	-144.9	171.5	179.8	71.7	67.1	0	0	0	110.6	K236 S240 M241	K236-N238 PolarHBondContact O-N 3.26Å; K236-N238 PolarHBondContact O-ND2 2.92Å; N238-S240 VanDerWaalsContact C-N 3.27Å; N238-S240 PolarHBondContact O-N 3.43Å; N238-S240 WeakPolarHBondContact OD1-CB 3.37Å; N238-S240 PolarHBondContact OD1-N 2.91Å; N238-S240 PolarHBondContact OD1-OG 2.96Å; N238-M241 PolarHBondContact O-N 3.49Å
239	T	94.4	Very high	96	Very high	72 Å²	72	58 Å²	58	44%	0.442	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.2	-19	-172.8	63.5	0	0	0	0	114.6	M241 S242 I265	T239-M241 VanDerWaalsContact C-N 3.26Å; T239-M241 PolarHBondContact O-N 3.38Å; T239-S242 PolarHBondContact O-N 2.86Å; T239-S242 PolarHBondContact O-OG 3.28Å; T239-I265 HydrophobicContact CG2-CD1 4.39Å; T239-I265 HydrophobicContact CG2-CG2 4.19Å
240	S	94.4	Very high	96.1	Very high	63 Å²	63	51.2 Å²	51.2	44%	0.441	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-71.2	-23.1	175.8	78.2	0	0	0	0	112.4	N238 S242 W243	N238-S240 VanDerWaalsContact C-N 3.27Å; N238-S240 PolarHBondContact O-N 3.43Å; N238-S240 WeakPolarHBondContact OD1-CB 3.37Å; N238-S240 PolarHBondContact OD1-N 2.91Å; N238-S240 PolarHBondContact OD1-OG 2.96Å; S240-S242 PolarHBondContact O-N 3.23Å; S240-W243 VanDerWaalsContact O-CD1 3.26Å
241	M	95.6	Very high	96.4	Very high	45 Å²	45	49 Å²	49	22%	0.222	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-72.7	-11.2	175.3	-61.9	174.5	175.2	0	0	113.1	P235 I237 N238 T239 W243 I261	P235-M241 HydrophobicContact CB-CE 4.49Å; P235-M241 HydrophobicContact CG-CE 3.96Å; I237-M241 HydrophobicContact CD1-SD 3.82Å; I237-M241 HydrophobicContact CG2-SD 4.48Å; N238-M241 PolarHBondContact O-N 3.49Å; T239-M241 VanDerWaalsContact C-N 3.26Å; T239-M241 PolarHBondContact O-N 3.38Å; M241-W243 VanDerWaalsContact C-N 3.32Å; M241-I261 HydrophobicContact CB-CD1 4.44Å
242	S	96.4	Very high	96.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-82.7	-5.6	-177.6	69.1	0	0	0	0	114.7	T239 S240 I244 P266 L267 R268	T239-S242 PolarHBondContact O-N 2.86Å; T239-S242 PolarHBondContact O-OG 3.28Å; S240-S242 PolarHBondContact O-N 3.23Å; S242-I244 PolarHBondContact O-N 3.5Å; S242-P266 WeakPolarHBondContact CB-O 3.31Å; S242-L267 CarbonylContact O-C 3.53Å; S242-L267 VanDerWaalsContact O-CA 3.29Å; S242-L267 WeakPolarHBondContact O-CA 3.23Å; S242-R268 PolarHBondContact O-N 2.84Å; S242-R268 VanDerWaalsContact OG-CD 3.31Å; S242-R268 WeakPolarHBondContact OG-CD 3.29Å; S242-R268 WeakPolarHBondContact OG-CG 3.37Å; S242-R268 PolarHBondContact OG-NE 2.81Å
243	W	97.4	Very high	96.4	Very high	39 Å²	39	55.2 Å²	55.2	15%	0.148	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-73	126.1	178.8	-70.3	104.2	0	0	0	110.7	S240 M241 R268 M270 T275 R357	S240-W243 VanDerWaalsContact O-CD1 3.26Å; M241-W243 VanDerWaalsContact C-N 3.32Å; W243-R268 HydrophobicContact CD2-CB 3.88Å; W243-R268 HydrophobicContact CE3-CB 3.62Å; W243-R268 HydrophobicContact CH2-CB 4.2Å; W243-R268 HydrophobicContact CZ2-CB 4.4Å; W243-R268 HydrophobicContact CZ3-CB 3.81Å; W243-M270 HydrophobicContact CH2-CG 4.39Å; W243-M270 HydrophobicContact CH2-SD 3.7Å; W243-M270 HydrophobicContact CZ3-CG 3.93Å; W243-M270 HydrophobicContact CZ3-SD 3.84Å; W243-T275 HydrophobicContact CH2-CG2 3.69Å; W243-T275 HydrophobicContact CZ2-CG2 4.28Å; W243-T275 HydrophobicContact CZ3-CG2 4.37Å; W243-R357 HydrophobicContact CD2-CB 3.91Å; W243-R357 VanDerWaalsContact CE2-CD 3.46Å; W243-R357 HydrophobicContact CE3-CB 3.72Å; W243-R357 HydrophobicContact CG-CB 4.33Å; W243-R357 HydrophobicContact CZ3-CB 4.11Å; W243-R357 VanDerWaalsContact NE1-NH1 3.18Å
244	I	97.1	Very high	96.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.261	C	S	.	.			trans	-81.4	131.8	170.2	-56.8	179.4	0	0	0	108.3	S242 W246 I254 L267 R268 L278 F318	S242-I244 PolarHBondContact O-N 3.5Å; I244-W246 HydrophobicContact CB-CD2 4.44Å; I244-W246 HydrophobicContact CB-CH2 4.46Å; I244-W246 HydrophobicContact CB-CZ2 4.04Å; I244-W246 HydrophobicContact CD1-CH2 3.6Å; I244-W246 HydrophobicContact CD1-CZ2 3.75Å; I244-W246 HydrophobicContact CD1-CZ3 4.32Å; I244-W246 HydrophobicContact CG1-CZ2 4.48Å; I244-W246 HydrophobicContact CG2-CD2 3.61Å; I244-W246 HydrophobicContact CG2-CE3 3.73Å; I244-W246 HydrophobicContact CG2-CG 4.18Å; I244-W246 HydrophobicContact CG2-CH2 3.99Å; I244-W246 HydrophobicContact CG2-CZ2 3.88Å; I244-W246 HydrophobicContact CG2-CZ3 3.92Å; I244-I254 HydrophobicContact CD1-CG2 4.17Å; I244-I254 HydrophobicContact CG2-CD1 3.85Å; I244-I254 HydrophobicContact CG2-CG1 4.05Å; I244-L267 HydrophobicContact CD1-CB 3.89Å; I244-L267 HydrophobicContact CD1-CD1 3.73Å; I244-L267 HydrophobicContact CD1-CG 4.49Å; I244-L267 HydrophobicContact CG1-CB 4.02Å; I244-L267 HydrophobicContact CG1-CD1 3.9Å; I244-R268 PolarHBondContact N-O 3.36Å; I244-L278 HydrophobicContact CD1-CD1 3.55Å; I244-F318 HydrophobicContact CD1-CZ 4.23Å
245	N	96.6	Very high	96.4	Very high	64 Å²	64	51 Å²	51	34%	0.342	27%	0.265	S	S	.	.			trans	-102.5	94.7	165.1	-176.5	-16.5	0	0	0	108.2	E247 E248 Q249 S356	N245-E247 VanDerWaalsContact C-N 3.28Å; N245-E247 PolarHBondContact O-N 3.45Å; N245-E247 PolarHBondContact OD1-N 3.42Å; N245-E247 PolarHBondContact OD1-OE2 3.31Å; N245-E247 VanDerWaalsContact OD1-OE2 3.08Å; N245-E248 HydrophobicContact CB-CB 4.44Å; N245-E248 WeakPolarHBondContact ND2-CG 3.42Å; N245-E248 PolarHBondContact O-N 2.67Å; N245-E248 PolarHBondContact OD1-N 2.99Å; N245-Q249 HydrophobicContact CB-CG 4.3Å; N245-Q249 VanDerWaalsContact O-CB 3.23Å; N245-Q249 WeakPolarHBondContact O-CB 3.41Å; N245-Q249 WeakPolarHBondContact O-CG 3.35Å; N245-Q249 PolarHBondContact O-N 3.47Å; N245-S356 WeakPolarHBondContact CA-OG 3.39Å
246	W	96.3	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.3	-175.5	-59.6	105.3	0	0	0	112.7	I244 I254 T269 L278 P295 V309 C311 K312 V316 F318 F354 S356	I244-W246 HydrophobicContact CB-CD2 4.44Å; I244-W246 HydrophobicContact CB-CH2 4.46Å; I244-W246 HydrophobicContact CB-CZ2 4.04Å; I244-W246 HydrophobicContact CD1-CH2 3.6Å; I244-W246 HydrophobicContact CD1-CZ2 3.75Å; I244-W246 HydrophobicContact CD1-CZ3 4.32Å; I244-W246 HydrophobicContact CG1-CZ2 4.48Å; I244-W246 HydrophobicContact CG2-CD2 3.61Å; I244-W246 HydrophobicContact CG2-CE3 3.73Å; I244-W246 HydrophobicContact CG2-CG 4.18Å; I244-W246 HydrophobicContact CG2-CH2 3.99Å; I244-W246 HydrophobicContact CG2-CZ2 3.88Å; I244-W246 HydrophobicContact CG2-CZ3 3.92Å; W246-I254 HydrophobicContact CE3-CD1 4.06Å; W246-I254 HydrophobicContact CZ3-CD1 3.89Å; W246-T269 PolarHBondContact NE1-OG1 2.76Å; W246-L278 HydrophobicContact CH2-CD1 3.92Å; W246-L278 HydrophobicContact CZ2-CD1 3.69Å; W246-P295 HydrophobicContact CB-CB 3.98Å; W246-P295 WeakPolarHBondContact O-CB 3.3Å; W246-V309 HydrophobicContact CD2-CG1 3.92Å; W246-V309 HydrophobicContact CE3-CB 4.31Å; W246-V309 HydrophobicContact CE3-CG1 3.63Å; W246-V309 HydrophobicContact CH2-CB 3.77Å; W246-V309 HydrophobicContact CH2-CG1 3.56Å; W246-V309 HydrophobicContact CH2-CG2 4.15Å; W246-V309 HydrophobicContact CZ2-CB 4.46Å; W246-V309 HydrophobicContact CZ2-CG1 3.84Å; W246-V309 HydrophobicContact CZ3-CB 3.68Å; W246-V309 HydrophobicContact CZ3-CG1 3.45Å; W246-V309 VanDerWaalsContact CZ3-CG1 3.45Å; W246-C311 HydrophobicContact CE3-CB 3.97Å; W246-C311 CarbonylContact O-C 3.52Å; W246-C311 VanDerWaalsContact O-CA 3.31Å; W246-C311 WeakPolarHBondContact O-CA 3.49Å; W246-K312 PolarHBondContact O-N 2.96Å; W246-V316 HydrophobicContact CH2-CG2 4.35Å; W246-V316 HydrophobicContact CZ3-CG2 3.69Å; W246-F318 HydrophobicContact CH2-CE2 4.09Å; W246-F354 HydrophobicContact CZ2-CB 4.4Å; W246-F354 HydrophobicContact CZ2-CD2 4.04Å; W246-S356 PolarHBondContact N-OG 2.65Å
247	E	95.3	Very high	96.6	Very high	80 Å²	80	41.6 Å²	41.6	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.3	-178.6	-62	82.5	171.2	0	0	112	N245 P295 S356	N245-E247 VanDerWaalsContact C-N 3.28Å; N245-E247 PolarHBondContact O-N 3.45Å; N245-E247 PolarHBondContact OD1-N 3.42Å; N245-E247 PolarHBondContact OD1-OE2 3.31Å; N245-E247 VanDerWaalsContact OD1-OE2 3.08Å; E247-P295 HydrophobicContact CB-CB 4.46Å; E247-P295 HydrophobicContact CG-CB 4.08Å; E247-S356 WeakPolarHBondContact OE2-CB 3.07Å; E247-S356 PolarHBondContact OE2-OG 2.86Å
248	E	95.8	Very high	96.7	Very high	107 Å²	107	40.9 Å²	40.9	50%	0.5	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-23.7	-173.6	-64.8	-55.6	156.2	0	0	115.2	N245 K312	N245-E248 HydrophobicContact CB-CB 4.44Å; N245-E248 WeakPolarHBondContact ND2-CG 3.42Å; N245-E248 PolarHBondContact O-N 2.67Å; N245-E248 PolarHBondContact OD1-N 2.99Å; E248-K312 WeakPolarHBondContact O-CD 3.44Å; E248-K312 PolarHBondContact O-NZ 2.83Å; E248-K312 IonicContact OE2-NZ 3.46Å; E248-K312 PolarHBondContact OE2-NZ 2.78Å
249	Q	97.2	Very high	96.8	Very high	38 Å²	38	40.4 Å²	40.4	18%	0.178	21%	0.21	C	C	.	.			trans	-94.5	132.6	-175.5	-63.6	-177.2	-74	0	0	112.4	N245 Q253 I254 C311 K312	N245-Q249 HydrophobicContact CB-CG 4.3Å; N245-Q249 VanDerWaalsContact O-CB 3.23Å; N245-Q249 WeakPolarHBondContact O-CB 3.41Å; N245-Q249 WeakPolarHBondContact O-CG 3.35Å; N245-Q249 PolarHBondContact O-N 3.47Å; Q249-Q253 VanDerWaalsContact CA-OE1 3.27Å; Q249-Q253 HydrophobicContact CB-CB 4.29Å; Q249-I254 HydrophobicContact CB-CD1 4.32Å; Q249-I254 HydrophobicContact CB-CG1 3.88Å; Q249-C311 WeakPolarHBondContact O-CB 3.39Å; Q249-K312 VanDerWaalsContact O-CB 3.32Å; Q249-K312 WeakPolarHBondContact O-CB 3.49Å; Q249-K312 PolarHBondContact O-N 2.93Å
250	T	97.2	Very high	97	Very high	33 Å²	33	37 Å²	37	20%	0.202	19%	0.189	C	C	.	.			trans	-76.2	164.3	172.1	65.2	0	0	0	0	112.1	D252 Q253 I254 K312 D313	T250-D252 PolarHBondContact O-N 2.99Å; T250-Q253 PolarHBondContact O-N 3.23Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.41Å; T250-Q253 PolarHBondContact OG1-N 2.99Å; T250-I254 WeakPolarHBondContact O-CG1 3.26Å; T250-I254 PolarHBondContact O-N 3.01Å; T250-K312 HydrophobicContact CG2-CD 4.47Å; T250-D313 WeakPolarHBondContact CA-OD1 3.29Å; T250-D313 VanDerWaalsContact CB-CG 3.46Å; T250-D313 VanDerWaalsContact CB-OD1 3.26Å; T250-D313 WeakPolarHBondContact CB-OD1 3.26Å; T250-D313 WeakPolarHBondContact CB-OD2 3.25Å; T250-D313 HydrophobicContact CG2-CB 4.33Å
251	C	97.1	Very high	97.1	Very high	2 Å²	2	34 Å²	34	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-50.5	-44	171.3	-65.1	0	0	0	0	111.5	I254 A255 K284 C311 D313 V316	C251-I254 PolarHBondContact O-N 3.41Å; C251-A255 WeakPolarHBondContact O-CB 3.34Å; C251-A255 PolarHBondContact O-N 3.41Å; C251-K284 HydrophobicContact CB-CB 4.18Å; C251-K284 HydrophobicContact CB-CD 3.97Å; C251-K284 HydrophobicContact CB-CG 4.07Å; C251-C311 PolarHBondContact SG-SG 2.78Å; C251-D313 PolarHBondContact N-OD1 3.46Å; C251-V316 HydrophobicContact CB-CG1 3.92Å
252	D	97.1	Very high	97.1	Very high	112 Å²	112	33.2 Å²	33.2	60%	0.599	17%	0.172	S	C	*	.	H	α-helix	trans	-69	-40.3	-178.5	-74.8	-16.7	0	0	0	112.1	T250 A255 C256	T250-D252 PolarHBondContact O-N 2.99Å; D252-A255 PolarHBondContact O-N 3.28Å; D252-C256 WeakPolarHBondContact O-CB 3.49Å; D252-C256 PolarHBondContact O-N 2.87Å; D252-C256 PolarHBondContact O-SG 3.34Å
253	Q	97.8	Very high	96.8	Very high	93 Å²	93	37.1 Å²	37.1	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-41	175.6	-74.2	171.4	-29.3	0	0	111.9	Q249 T250 A255 C256 L257	Q249-Q253 VanDerWaalsContact CA-OE1 3.27Å; Q249-Q253 HydrophobicContact CB-CB 4.29Å; T250-Q253 PolarHBondContact O-N 3.23Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.41Å; T250-Q253 PolarHBondContact OG1-N 2.99Å; Q253-A255 VanDerWaalsContact C-N 3.35Å; Q253-C256 PolarHBondContact O-N 3.47Å; Q253-L257 WeakPolarHBondContact O-CB 3.29Å; Q253-L257 PolarHBondContact O-N 2.99Å
254	I	98.1	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-43.1	174.3	-64.7	169.6	0	0	0	110	I244 W246 Q249 T250 C251 C256 L257 C258 L267 F281 C311 V316 F318	I244-I254 HydrophobicContact CD1-CG2 4.17Å; I244-I254 HydrophobicContact CG2-CD1 3.85Å; I244-I254 HydrophobicContact CG2-CG1 4.05Å; W246-I254 HydrophobicContact CE3-CD1 4.06Å; W246-I254 HydrophobicContact CZ3-CD1 3.89Å; Q249-I254 HydrophobicContact CB-CD1 4.32Å; Q249-I254 HydrophobicContact CB-CG1 3.88Å; T250-I254 WeakPolarHBondContact O-CG1 3.26Å; T250-I254 PolarHBondContact O-N 3.01Å; C251-I254 PolarHBondContact O-N 3.41Å; I254-C256 PolarHBondContact O-N 3.4Å; I254-L257 PolarHBondContact O-N 2.95Å; I254-C258 PolarHBondContact O-N 3.02Å; I254-C258 PolarHBondContact O-SG 3.46Å; I254-C258 VanDerWaalsContact O-SG 3.42Å; I254-L267 HydrophobicContact CG2-CD1 4.35Å; I254-F281 HydrophobicContact CG2-CE2 4.12Å; I254-C311 HydrophobicContact CD1-CB 3.66Å; I254-V316 HydrophobicContact CD1-CG2 4.16Å; I254-V316 HydrophobicContact CG2-CG2 4.4Å; I254-F318 HydrophobicContact CG2-CZ 4.49Å
255	A	98	Very high	96.6	Very high	9 Å²	9	43.9 Å²	43.9	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-42.3	177.4	0	0	0	0	0	112.2	C251 D252 Q253 C258 R259 F281	C251-A255 WeakPolarHBondContact O-CB 3.34Å; C251-A255 PolarHBondContact O-N 3.41Å; D252-A255 PolarHBondContact O-N 3.28Å; Q253-A255 VanDerWaalsContact C-N 3.35Å; A255-C258 WeakPolarHBondContact O-CB 3.34Å; A255-C258 PolarHBondContact O-N 2.47Å; A255-R259 WeakPolarHBondContact O-CG 3.11Å; A255-R259 PolarHBondContact O-N 3.23Å; A255-R259 PolarHBondContact O-NH1 3Å; A255-F281 HydrophobicContact CB-CE1 3.77Å; A255-F281 HydrophobicContact CB-CZ 3.78Å
256	C	98.2	Very high	96.6	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-45.6	172.2	-75.1	0	0	0	0	111.5	V156 M157 D252 Q253 I254 C258 R259 A260	V156-C256 VanDerWaalsContact O-CB 3.31Å; V156-C256 WeakPolarHBondContact O-CB 3.28Å; M157-C256 WeakPolarHBondContact O-CB 3.36Å; D252-C256 WeakPolarHBondContact O-CB 3.49Å; D252-C256 PolarHBondContact O-N 2.87Å; D252-C256 PolarHBondContact O-SG 3.34Å; Q253-C256 PolarHBondContact O-N 3.47Å; I254-C256 PolarHBondContact O-N 3.4Å; C256-C258 PolarHBondContact O-N 3.08Å; C256-R259 PolarHBondContact O-N 2.75Å; C256-R259 PolarHBondContact SG-NH2 2.9Å; C256-A260 VanDerWaalsContact O-CB 3.26Å; C256-A260 WeakPolarHBondContact O-CB 3.44Å; C256-A260 PolarHBondContact O-N 2.99Å
257	L	98	Very high	96.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-43.4	177.5	-173.4	62.3	0	0	0	111.7	M157 Q253 I254 A260 I261 L267	M157-L257 HydrophobicContact CE-CD1 3.88Å; M157-L257 HydrophobicContact CG-CD1 3.93Å; M157-L257 HydrophobicContact SD-CD1 4.06Å; Q253-L257 WeakPolarHBondContact O-CB 3.29Å; Q253-L257 PolarHBondContact O-N 2.99Å; I254-L257 PolarHBondContact O-N 2.95Å; L257-A260 PolarHBondContact O-N 3.36Å; L257-I261 HydrophobicContact CD1-CD1 3.68Å; L257-I261 HydrophobicContact CD1-CG1 3.91Å; L257-I261 HydrophobicContact CG-CD1 4.26Å; L257-I261 HydrophobicContact CG-CG1 4.31Å; L257-I261 VanDerWaalsContact O-CG1 3.31Å; L257-I261 WeakPolarHBondContact O-CG1 3.47Å; L257-I261 PolarHBondContact O-N 2.94Å; L257-L267 HydrophobicContact CB-CD1 4.42Å; L257-L267 HydrophobicContact CD2-CD1 4.05Å; L257-L267 HydrophobicContact CD2-CD2 3.9Å; L257-L267 HydrophobicContact CG-CD1 4.15Å; L257-L267 HydrophobicContact CG-CD2 3.73Å
258	C	97.5	Very high	96.7	Very high	18 Å²	18	41 Å²	41	12%	0.122	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-49.1	173	-76.3	0	0	0	0	111.9	I254 A255 C256 A260 G262 L267 F281	I254-C258 PolarHBondContact O-N 3.02Å; I254-C258 PolarHBondContact O-SG 3.46Å; I254-C258 VanDerWaalsContact O-SG 3.42Å; A255-C258 WeakPolarHBondContact O-CB 3.34Å; A255-C258 PolarHBondContact O-N 2.47Å; C256-C258 PolarHBondContact O-N 3.08Å; C258-A260 VanDerWaalsContact C-N 3.3Å; C258-A260 PolarHBondContact O-N 2.82Å; C258-G262 VanDerWaalsContact O-CA 3.26Å; C258-G262 WeakPolarHBondContact O-CA 3.39Å; C258-G262 PolarHBondContact O-N 3.34Å; C258-L267 HydrophobicContact CB-CD1 4.5Å; C258-L267 WeakPolarHBondContact SG-CD1 3.37Å; C258-F281 HydrophobicContact CB-CB 4.4Å; C258-F281 HydrophobicContact CB-CD1 3.83Å; C258-F281 HydrophobicContact CB-CE1 4.21Å; C258-F281 HydrophobicContact CB-CG 4.08Å; C258-F281 VanDerWaalsContact SG-CG 3.54Å
259	R	97.8	Very high	96.8	Very high	56 Å²	56	35.9 Å²	35.9	21%	0.211	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-30.3	179.3	-72	-168.4	-56.9	-81.9	-0.7	113.2	V156 N191 C192 T193 A194 A255 C256	V156-R259 HydrophobicContact CG1-CB 3.81Å; N191-R259 WeakPolarHBondContact O-CD 3.24Å; C192-R259 WeakPolarHBondContact O-CD 3.45Å; T193-R259 WeakPolarHBondContact CA-O 3.3Å; A194-R259 PolarHBondContact N-O 3.07Å; A255-R259 WeakPolarHBondContact O-CG 3.11Å; A255-R259 PolarHBondContact O-N 3.23Å; A255-R259 PolarHBondContact O-NH1 3Å; C256-R259 PolarHBondContact O-N 2.75Å; C256-R259 PolarHBondContact SG-NH2 2.9Å
260	A	98.1	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-75	-50.8	179.7	0	0	0	0	0	111.7	F153 V156 M157 A194 C256 L257 C258	F153-A260 WeakPolarHBondContact CD1-O 3.34Å; F153-A260 WeakPolarHBondContact CE1-O 3.1Å; V156-A260 HydrophobicContact CB-CB 4.08Å; V156-A260 HydrophobicContact CG1-CB 3.99Å; M157-A260 HydrophobicContact CB-CB 3.78Å; M157-A260 HydrophobicContact CE-CB 4.42Å; A194-A260 WeakPolarHBondContact CB-O 3.48Å; C256-A260 VanDerWaalsContact O-CB 3.26Å; C256-A260 WeakPolarHBondContact O-CB 3.44Å; C256-A260 PolarHBondContact O-N 2.99Å; L257-A260 PolarHBondContact O-N 3.36Å; C258-A260 VanDerWaalsContact C-N 3.3Å; C258-A260 PolarHBondContact O-N 2.82Å
261	I	97.6	Very high	96.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-125.9	-12.1	-167.6	66.8	167.4	0	0	0	114.7	F153 M157 I237 M241 L257 S263 R264 I265 L267	F153-I261 HydrophobicContact CD1-CG2 4.21Å; M157-I261 HydrophobicContact CE-CG2 3.72Å; I237-I261 HydrophobicContact CD1-CG2 4.22Å; I237-I261 HydrophobicContact CG1-CG2 4.44Å; I237-I261 HydrophobicContact CG2-CB 4.32Å; I237-I261 HydrophobicContact CG2-CG2 3.58Å; M241-I261 HydrophobicContact CB-CD1 4.44Å; L257-I261 HydrophobicContact CD1-CD1 3.68Å; L257-I261 HydrophobicContact CD1-CG1 3.91Å; L257-I261 HydrophobicContact CG-CD1 4.26Å; L257-I261 HydrophobicContact CG-CG1 4.31Å; L257-I261 VanDerWaalsContact O-CG1 3.31Å; L257-I261 WeakPolarHBondContact O-CG1 3.47Å; L257-I261 PolarHBondContact O-N 2.94Å; I261-S263 VanDerWaalsContact C-N 3.27Å; I261-S263 PolarHBondContact O-N 3.46Å; I261-R264 PolarHBondContact O-N 3.29Å; I261-I265 PolarHBondContact O-N 3.29Å; I261-L267 HydrophobicContact CD1-CD2 4Å; I261-L267 HydrophobicContact CG1-CD2 3.99Å
262	G	94.4	Very high	96.1	Very high	29 Å²	29	38.9 Å²	38.9	30%	0.299	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.5	-168.6	0	0	0	0	0	114.8	C258 R264	C258-G262 VanDerWaalsContact O-CA 3.26Å; C258-G262 WeakPolarHBondContact O-CA 3.39Å; C258-G262 PolarHBondContact O-N 3.34Å; G262-R264 VanDerWaalsContact C-N 3.27Å; G262-R264 PolarHBondContact O-N 3.44Å
263	S	91.3	Very high	95.7	Very high	82 Å²	82	36.9 Å²	36.9	57%	0.573	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.9	174.9	57.5	0	0	0	0	112.9	E195 I261	E195-S263 PolarHBondContact OE1-OG 3.19Å; E195-S263 PolarHBondContact OE2-OG 3.01Å; I261-S263 VanDerWaalsContact C-N 3.27Å; I261-S263 PolarHBondContact O-N 3.46Å
264	R	93.3	Very high	95.5	Very high	159 Å²	159	38.1 Å²	38.1	60%	0.6	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-37.9	-175.8	-57.6	-178.1	-170.7	-154.8	-2.2	112.8	F153 E195 I261 G262	F153-R264 VanDerWaalsContact CZ-CZ 3.44Å; E195-R264 IonicContact OE1-CZ 3.44Å; E195-R264 VanDerWaalsContact OE1-CZ 3.26Å; E195-R264 IonicContact OE1-NE 3.58Å; E195-R264 PolarHBondContact OE1-NE 3.21Å; E195-R264 IonicContact OE1-NH2 3.55Å; E195-R264 PolarHBondContact OE1-NH2 2.87Å; I261-R264 PolarHBondContact O-N 3.29Å; G262-R264 VanDerWaalsContact C-N 3.27Å; G262-R264 PolarHBondContact O-N 3.44Å
265	I	95.9	Very high	95.3	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.118	23%	0.228	C	C	.	.	S	Bend	trans	-132.9	101.4	-174.8	-51.5	-177.1	0	0	0	107.3	I237 T239 I261 L267	I237-I265 HydrophobicContact CG2-CD1 3.84Å; T239-I265 HydrophobicContact CG2-CD1 4.39Å; T239-I265 HydrophobicContact CG2-CG2 4.19Å; I261-I265 PolarHBondContact O-N 3.29Å; I265-L267 PolarHBondContact O-N 2.86Å
266	P	96	Very high	95.3	Very high	34 Å²	34	40.7 Å²	40.7	22%	0.221	23%	0.225	C	C	.	.			trans	-53	137.8	173.2	-30.3	37.5	0	0	0	111.7	S242 K277 L279	S242-P266 WeakPolarHBondContact CB-O 3.31Å; P266-K277 HydrophobicContact CB-CB 4.01Å; P266-K277 HydrophobicContact CB-CD 4.25Å; P266-K277 HydrophobicContact CB-CG 4.42Å; P266-L279 HydrophobicContact CB-CD2 3.61Å; P266-L279 HydrophobicContact CG-CD2 3.68Å
267	L	97.6	Very high	95.3	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	153.4	175.3	-58.3	-162.2	0	0	0	110.7	S242 I244 I254 L257 C258 I261 I265 K277 L278	S242-L267 CarbonylContact O-C 3.53Å; S242-L267 VanDerWaalsContact O-CA 3.29Å; S242-L267 WeakPolarHBondContact O-CA 3.23Å; I244-L267 HydrophobicContact CD1-CB 3.89Å; I244-L267 HydrophobicContact CD1-CD1 3.73Å; I244-L267 HydrophobicContact CD1-CG 4.49Å; I244-L267 HydrophobicContact CG1-CB 4.02Å; I244-L267 HydrophobicContact CG1-CD1 3.9Å; I254-L267 HydrophobicContact CG2-CD1 4.35Å; L257-L267 HydrophobicContact CB-CD1 4.42Å; L257-L267 HydrophobicContact CD2-CD1 4.05Å; L257-L267 HydrophobicContact CD2-CD2 3.9Å; L257-L267 HydrophobicContact CG-CD1 4.15Å; L257-L267 HydrophobicContact CG-CD2 3.73Å; C258-L267 HydrophobicContact CB-CD1 4.5Å; C258-L267 WeakPolarHBondContact SG-CD1 3.37Å; I261-L267 HydrophobicContact CD1-CD2 4Å; I261-L267 HydrophobicContact CG1-CD2 3.99Å; I265-L267 PolarHBondContact O-N 2.86Å; L267-K277 CarbonylContact O-C 3.51Å; L267-K277 VanDerWaalsContact O-CA 3.29Å; L267-K277 WeakPolarHBondContact O-CA 3.34Å; L267-L278 PolarHBondContact O-N 3.26Å
268	R	97.5	Very high	95.2	Very high	46 Å²	46	43.5 Å²	43.5	17%	0.174	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.6	-169.2	-62	-177.4	-172.2	175.3	0.5	111.5	S242 W243 I244 T275 L276 K277	S242-R268 PolarHBondContact O-N 2.84Å; S242-R268 VanDerWaalsContact OG-CD 3.31Å; S242-R268 WeakPolarHBondContact OG-CD 3.29Å; S242-R268 WeakPolarHBondContact OG-CG 3.37Å; S242-R268 PolarHBondContact OG-NE 2.81Å; W243-R268 HydrophobicContact CD2-CB 3.88Å; W243-R268 HydrophobicContact CE3-CB 3.62Å; W243-R268 HydrophobicContact CH2-CB 4.2Å; W243-R268 HydrophobicContact CZ2-CB 4.4Å; W243-R268 HydrophobicContact CZ3-CB 3.81Å; I244-R268 PolarHBondContact N-O 3.36Å; R268-T275 HydrophobicContact CB-CG2 4.39Å; R268-T275 HydrophobicContact CG-CG2 4.35Å; R268-L276 WeakPolarHBondContact CA-O 3.4Å; R268-K277 HydrophobicContact CG-CG 4.23Å
269	T	97.3	Very high	95.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	170.3	170.9	-171.7	0	0	0	0	109.1	W246 L276 L278 F354 V355	W246-T269 PolarHBondContact NE1-OG1 2.76Å; T269-L276 HydrophobicContact CG2-CB 4.11Å; T269-L276 HydrophobicContact CG2-CD2 3.7Å; T269-L276 PolarHBondContact N-O 2.89Å; T269-L276 PolarHBondContact O-N 2.93Å; T269-L278 HydrophobicContact CG2-CD1 4.01Å; T269-L278 HydrophobicContact CG2-CG 4.25Å; T269-F354 HydrophobicContact CG2-CB 4.14Å; T269-F354 HydrophobicContact CG2-CD1 4.06Å; T269-F354 HydrophobicContact CG2-CD2 3.81Å; T269-F354 HydrophobicContact CG2-CE1 4.48Å; T269-F354 HydrophobicContact CG2-CE2 4.26Å; T269-F354 HydrophobicContact CG2-CG 3.73Å; T269-F354 WeakPolarHBondContact OG1-CB 3.29Å; T269-V355 PolarHBondContact OG1-O 3.17Å
270	M	95.6	Very high	95.1	Very high	44 Å²	44	44.7 Å²	44.7	22%	0.217	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.6	171.9	-65.5	-65.7	-64.7	0	0	110.3	W243 G273 K274 F354 V355	W243-M270 HydrophobicContact CH2-CG 4.39Å; W243-M270 HydrophobicContact CH2-SD 3.7Å; W243-M270 HydrophobicContact CZ3-CG 3.93Å; W243-M270 HydrophobicContact CZ3-SD 3.84Å; M270-G273 VanDerWaalsContact CE-O 3.25Å; M270-G273 WeakPolarHBondContact CE-O 3.4Å; M270-K274 CarbonylContact C-O 3.6Å; M270-K274 WeakPolarHBondContact CA-O 3.31Å; M270-F354 WeakPolarHBondContact O-CA 3.49Å; M270-V355 HydrophobicContact CB-CB 4.14Å; M270-V355 WeakPolarHBondContact CB-O 3.45Å; M270-V355 PolarHBondContact N-O 3.49Å; M270-V355 PolarHBondContact O-N 3.35Å
271	W	92.6	Very high	95	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.7	171.4	175.2	-101.3	0	0	0	108.9	G273 K274 L276 F332 Y336 L337 G352 F354	W271-G273 VanDerWaalsContact C-N 3.28Å; W271-G273 PolarHBondContact O-N 2.9Å; W271-K274 PolarHBondContact N-O 3.25Å; W271-K274 PolarHBondContact O-N 2.91Å; W271-L276 HydrophobicContact CB-CB 4.04Å; W271-L276 HydrophobicContact CB-CD1 3.92Å; W271-L276 HydrophobicContact CG-CD1 4.24Å; W271-F332 HydrophobicContact CD2-CE2 4.47Å; W271-F332 AromaticContact CD2-CZ 3.74Å; W271-F332 HydrophobicContact CD2-CZ 3.74Å; W271-F332 AromaticContact CE2-CZ 3.64Å; W271-F332 HydrophobicContact CE3-CZ 4.1Å; W271-F332 HydrophobicContact CG-CZ 4.2Å; W271-F332 HydrophobicContact CH2-CE1 4.43Å; W271-F332 HydrophobicContact CH2-CZ 4.2Å; W271-F332 HydrophobicContact CZ2-CE1 4.49Å; W271-F332 AromaticContact CZ2-CZ 3.92Å; W271-F332 HydrophobicContact CZ2-CZ 3.92Å; W271-F332 HydrophobicContact CZ3-CZ 4.27Å; W271-Y336 AromaticContact NE1-CD1 3.79Å; W271-L337 HydrophobicContact CH2-CD2 3.61Å; W271-L337 HydrophobicContact CZ3-CD2 4.08Å; W271-G352 WeakPolarHBondContact CZ3-O 3.46Å; W271-F354 HydrophobicContact CD2-CD1 4.49Å; W271-F354 HydrophobicContact CD2-CE1 4.25Å; W271-F354 AromaticContact CE3-CD1 3.59Å; W271-F354 HydrophobicContact CE3-CD1 3.59Å; W271-F354 AromaticContact CE3-CE1 3.62Å; W271-F354 HydrophobicContact CE3-CE1 3.62Å; W271-F354 HydrophobicContact CZ3-CD1 4.16Å; W271-F354 HydrophobicContact CZ3-CE1 4.13Å
272	M	88.8	Confident	94.9	Very high	85 Å²	85	51 Å²	51	42%	0.419	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	46.7	178.8	-59.3	-62.7	-164.3	0	0	113.3	K274 T340 E351	M272-K274 PolarHBondContact O-N 2.77Å; M272-T340 HydrophobicContact CE-CG2 3.39Å; M272-E351 HydrophobicContact CE-CB 3.94Å; M272-E351 HydrophobicContact CE-CG 4.11Å; M272-E351 HydrophobicContact SD-CG 4.34Å
273	G	88.8	Confident	94.9	Very high	69 Å²	69	50.3 Å²	50.3	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	0.7	-179.3	0	0	0	0	0	115.5	M270 W271	M270-G273 VanDerWaalsContact CE-O 3.25Å; M270-G273 WeakPolarHBondContact CE-O 3.4Å; W271-G273 VanDerWaalsContact C-N 3.28Å; W271-G273 PolarHBondContact O-N 2.9Å
274	K	92.6	Very high	95	Very high	119 Å²	119	51.5 Å²	51.5	52%	0.517	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	149.3	176.9	-63.2	-177.2	-177.2	179.7	0	111.4	M270 W271 M272 L276 L323	M270-K274 CarbonylContact C-O 3.6Å; M270-K274 WeakPolarHBondContact CA-O 3.31Å; W271-K274 PolarHBondContact N-O 3.25Å; W271-K274 PolarHBondContact O-N 2.91Å; M272-K274 PolarHBondContact O-N 2.77Å; K274-L276 PolarHBondContact O-N 3.44Å; K274-L323 HydrophobicContact CB-CD1 3.83Å
275	T	95.4	Very high	94.9	Very high	63 Å²	63	45 Å²	45	39%	0.387	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.7	172.2	-59.9	0	0	0	0	109.8	W243 R268	W243-T275 HydrophobicContact CH2-CG2 3.69Å; W243-T275 HydrophobicContact CZ2-CG2 4.28Å; W243-T275 HydrophobicContact CZ3-CG2 4.37Å; R268-T275 HydrophobicContact CB-CG2 4.39Å; R268-T275 HydrophobicContact CG-CG2 4.35Å
276	L	96.6	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.8	172.8	-177.8	148.2	0	0	0	108.5	R268 T269 W271 K274 L278 V321 L323 F332 F354	R268-L276 WeakPolarHBondContact CA-O 3.4Å; T269-L276 HydrophobicContact CG2-CB 4.11Å; T269-L276 HydrophobicContact CG2-CD2 3.7Å; T269-L276 PolarHBondContact N-O 2.89Å; T269-L276 PolarHBondContact O-N 2.93Å; W271-L276 HydrophobicContact CB-CB 4.04Å; W271-L276 HydrophobicContact CB-CD1 3.92Å; W271-L276 HydrophobicContact CG-CD1 4.24Å; K274-L276 PolarHBondContact O-N 3.44Å; L276-L278 HydrophobicContact CD2-CD2 3.71Å; L276-L278 HydrophobicContact CD2-CG 3.99Å; L276-V321 HydrophobicContact CD1-CB 4.14Å; L276-V321 HydrophobicContact CD1-CG1 4.46Å; L276-V321 HydrophobicContact CD1-CG2 4.29Å; L276-V321 HydrophobicContact CD2-CB 3.87Å; L276-V321 HydrophobicContact CD2-CG1 3.81Å; L276-V321 HydrophobicContact CG-CB 4.1Å; L276-L323 HydrophobicContact CB-CD1 4.27Å; L276-F332 HydrophobicContact CD1-CD2 4.46Å; L276-F332 HydrophobicContact CD1-CE2 3.64Å; L276-F332 HydrophobicContact CD1-CZ 3.88Å; L276-F354 HydrophobicContact CD1-CE1 4.02Å; L276-F354 HydrophobicContact CD1-CZ 4.21Å; L276-F354 HydrophobicContact CD2-CE1 4.31Å; L276-F354 HydrophobicContact CD2-CE2 4.4Å; L276-F354 HydrophobicContact CD2-CZ 3.96Å
277	K	97.9	Very high	93.4	Very high	70 Å²	70	53.5 Å²	53.5	30%	0.304	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.7	174.6	-59.5	176.9	-174.6	172.1	0	109.7	P266 L267 R268 V321 L322	P266-K277 HydrophobicContact CB-CB 4.01Å; P266-K277 HydrophobicContact CB-CD 4.25Å; P266-K277 HydrophobicContact CB-CG 4.42Å; L267-K277 CarbonylContact O-C 3.51Å; L267-K277 VanDerWaalsContact O-CA 3.29Å; L267-K277 WeakPolarHBondContact O-CA 3.34Å; R268-K277 HydrophobicContact CG-CG 4.23Å; K277-V321 CarbonylContact O-C 3.55Å; K277-V321 WeakPolarHBondContact O-CA 3.4Å; K277-L322 HydrophobicContact CB-CB 4.17Å; K277-L322 HydrophobicContact CD-CD2 4.04Å; K277-L322 PolarHBondContact N-O 3.42Å; K277-L322 PolarHBondContact O-N 2.83Å
278	L	97.6	Very high	92	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.5	179.5	-64.5	160.1	0	0	0	109	I244 W246 L267 T269 L276 F318 V321 F354	I244-L278 HydrophobicContact CD1-CD1 3.55Å; W246-L278 HydrophobicContact CH2-CD1 3.92Å; W246-L278 HydrophobicContact CZ2-CD1 3.69Å; L267-L278 PolarHBondContact O-N 3.26Å; T269-L278 HydrophobicContact CG2-CD1 4.01Å; T269-L278 HydrophobicContact CG2-CG 4.25Å; L276-L278 HydrophobicContact CD2-CD2 3.71Å; L276-L278 HydrophobicContact CD2-CG 3.99Å; L278-F318 HydrophobicContact CB-CD1 3.69Å; L278-F318 HydrophobicContact CB-CE1 3.61Å; L278-F318 HydrophobicContact CB-CG 4.17Å; L278-F318 HydrophobicContact CB-CZ 4.08Å; L278-F318 HydrophobicContact CD1-CE1 4.42Å; L278-F318 HydrophobicContact CD1-CE2 4.14Å; L278-F318 HydrophobicContact CD1-CZ 4.02Å; L278-F318 HydrophobicContact CD2-CD1 4.49Å; L278-F318 HydrophobicContact CD2-CD2 4.07Å; L278-F318 HydrophobicContact CD2-CE2 4.39Å; L278-F318 HydrophobicContact CD2-CG 4.12Å; L278-F318 HydrophobicContact CG-CE1 4.47Å; L278-F318 HydrophobicContact CG-CZ 4.5Å; L278-V321 HydrophobicContact CD2-CG1 4.1Å; L278-F354 HydrophobicContact CD2-CD2 4.3Å; L278-F354 HydrophobicContact CD2-CE2 3.61Å; L278-F354 HydrophobicContact CD2-CZ 4.28Å
279	L	96.5	Very high	90.5	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	160.3	-172.8	-58.4	173.3	0	0	0	109.4	P266 F281 T320 L322	P266-L279 HydrophobicContact CB-CD2 3.61Å; P266-L279 HydrophobicContact CG-CD2 3.68Å; L279-F281 PolarHBondContact O-N 2.99Å; L279-T320 HydrophobicContact CB-CG2 4.36Å; L279-T320 WeakPolarHBondContact CB-O 3.34Å; L279-T320 HydrophobicContact CD1-CG2 4.18Å; L279-T320 PolarHBondContact N-O 3.19Å; L279-T320 PolarHBondContact O-N 2.78Å; L279-T320 VanDerWaalsContact O-O 3.06Å; L279-L322 HydrophobicContact CD1-CB 3.81Å
280	D	95.4	Very high	88.8	Confident	76 Å²	76	65.8 Å²	65.8	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.8	56.5	172.2	-48.6	-30.3	0	0	0	111.5	R319 T320 R326	D280-R319 HydrophobicContact CB-CB 3.89Å; D280-R319 PolarHBondContact O-N 3.04Å; D280-T320 WeakPolarHBondContact OD2-CB 3.39Å; D280-T320 PolarHBondContact OD2-OG1 2.94Å; D280-R326 IonicContact OD1-NH2 3.36Å; D280-R326 IonicContact OD2-CZ 3.53Å; D280-R326 IonicContact OD2-NH1 2.93Å; D280-R326 PolarHBondContact OD2-NH1 2.93Å; D280-R326 IonicContact OD2-NH2 3.18Å
281	F	96.8	Very high	87.1	Confident	61 Å²	61	72.6 Å²	72.6	27%	0.268	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	133.4	178.6	179.3	-111.8	0	0	0	111.1	I254 A255 C258 L279 V316 F318	I254-F281 HydrophobicContact CG2-CE2 4.12Å; A255-F281 HydrophobicContact CB-CE1 3.77Å; A255-F281 HydrophobicContact CB-CZ 3.78Å; C258-F281 HydrophobicContact CB-CB 4.4Å; C258-F281 HydrophobicContact CB-CD1 3.83Å; C258-F281 HydrophobicContact CB-CE1 4.21Å; C258-F281 HydrophobicContact CB-CG 4.08Å; C258-F281 VanDerWaalsContact SG-CG 3.54Å; L279-F281 PolarHBondContact O-N 2.99Å; F281-V316 HydrophobicContact CE2-CB 3.94Å; F281-V316 HydrophobicContact CE2-CG1 4.23Å; F281-V316 HydrophobicContact CZ-CG1 4.46Å; F281-F318 HydrophobicContact CB-CD1 4.05Å; F281-F318 HydrophobicContact CB-CE1 3.94Å; F281-F318 AromaticContact CD2-CD1 3.96Å; F281-F318 HydrophobicContact CD2-CD1 3.96Å; F281-F318 AromaticContact CD2-CE1 3.44Å; F281-F318 HydrophobicContact CD2-CE1 3.44Å; F281-F318 VanDerWaalsContact CD2-CE1 3.44Å; F281-F318 HydrophobicContact CD2-CE2 4.2Å; F281-F318 AromaticContact CD2-CZ 3.57Å; F281-F318 HydrophobicContact CD2-CZ 3.57Å; F281-F318 HydrophobicContact CE2-CE1 4.35Å; F281-F318 HydrophobicContact CE2-CZ 4.05Å; F281-F318 HydrophobicContact CG-CE1 4.14Å
282	V	95.4	Very high	85.6	Confident	73 Å²	73	76.9 Å²	76.9	44%	0.442	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-36.8	-177.7	-178.3	0	0	0	0	111.3	T306 A317 R319	V282-T306 HydrophobicContact CG2-CG2 4Å; V282-A317 HydrophobicContact CB-CB 3.92Å; V282-A317 HydrophobicContact CG1-CB 4.49Å; V282-A317 HydrophobicContact CG2-CB 4.36Å; V282-A317 PolarHBondContact N-O 3.15Å; V282-R319 HydrophobicContact CG2-CG 3.68Å
283	G	94.4	Very high	85	Confident	15 Å²	15	79 Å²	79	16%	0.155	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.1	-169.1	-176.1	0	0	0	0	0	112.9	V316 A317	G283-V316 CarbonylContact O-C 3.57Å; G283-V316 WeakPolarHBondContact O-CA 3.45Å; G283-A317 PolarHBondContact O-N 2.8Å
284	K	93.1	Very high	85.1	Confident	106 Å²	106	81.8 Å²	81.8	46%	0.461	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.6	170.1	-176.1	171.9	-175.5	168.5	0	109.5	C251 W315	C251-K284 HydrophobicContact CB-CB 4.18Å; C251-K284 HydrophobicContact CB-CD 3.97Å; C251-K284 HydrophobicContact CB-CG 4.07Å; K284-W315 CarbonylContact C-O 3.54Å; K284-W315 WeakPolarHBondContact CA-O 3.41Å
285	C	91.1	Very high	85.1	Confident	24 Å²	24	78.1 Å²	78.1	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.8	176.1	59.6	0	0	0	0	110.7	S308 W315 A317	C285-S308 PolarHBondContact SG-OG 2.78Å; C285-W315 PolarHBondContact N-O 3.44Å; C285-W315 VanDerWaalsContact SG-CB 3.57Å; C285-A317 HydrophobicContact CB-CB 4.14Å
286	Y	84.8	Confident	85	Confident	201 Å²	201	75.1 Å²	75.1	79%	0.788	37%	0.368	S	S	*	.			trans	-116.3	140.4	171.9	-61.4	-80.9	0	0	0	108.1
287	T	76.6	Confident	84.8	Confident	33 Å²	33	75.5 Å²	75.5	20%	0.202	37%	0.37	C	S	.	.			trans	-121.7	139.9	171.5	179.9	0	0	0	0	108.8	D289 W315	T287-D289 WeakPolarHBondContact OG1-CB 3.34Å; T287-D289 PolarHBondContact OG1-N 2.84Å; T287-W315 HydrophobicContact CG2-CD2 3.53Å; T287-W315 HydrophobicContact CG2-CE3 4.13Å; T287-W315 HydrophobicContact CG2-CG 3.84Å; T287-W315 HydrophobicContact CG2-CH2 4.23Å; T287-W315 HydrophobicContact CG2-CZ2 3.65Å; T287-W315 HydrophobicContact CG2-CZ3 4.45Å
288	S	68.4	Low	84.5	Confident	116 Å²	116	73.4 Å²	73.4	81%	0.811	36%	0.363	S	S	*	.			trans	-80.6	-1.8	169.7	52	0	0	0	0	112.2	E290	S288-E290 PolarHBondContact O-N 3.25Å
289	D	65.5	Low	84.1	Confident	23 Å²	23	76.3 Å²	76.3	12%	0.123	37%	0.374	C	S	.	.			trans	-79	104.7	179.5	-156.9	-15.6	0	0	0	111	T287 R291 Y299	T287-D289 WeakPolarHBondContact OG1-CB 3.34Å; T287-D289 PolarHBondContact OG1-N 2.84Å; D289-R291 PolarHBondContact O-N 2.74Å; D289-R291 WeakPolarHBondContact OD1-CB 3.3Å; D289-R291 VanDerWaalsContact OD1-CG 3.3Å; D289-R291 WeakPolarHBondContact OD1-CG 3.24Å; D289-R291 IonicContact OD1-CZ 3.83Å; D289-R291 PolarHBondContact OD1-N 2.92Å; D289-R291 IonicContact OD1-NE 2.82Å; D289-R291 PolarHBondContact OD1-NE 3.45Å; D289-R291 IonicContact OD1-NH2 3.79Å; D289-R291 IonicContact OD2-CZ 2.8Å; D289-R291 IonicContact OD2-NE 3.75Å; D289-R291 PolarHBondContact OD2-NE 3.48Å; D289-R291 IonicContact OD2-NH2 3.61Å; D289-R291 PolarHBondContact OD2-NH2 2.66Å; D289-Y299 HydrophobicContact CB-CD2 3.94Å; D289-Y299 HydrophobicContact CB-CE2 3.97Å; D289-Y299 VanDerWaalsContact OD2-CD2 3.24Å; D289-Y299 WeakPolarHBondContact OD2-CD2 3.41Å; D289-Y299 VanDerWaalsContact OD2-CE2 3.32Å; D289-Y299 WeakPolarHBondContact OD2-CE2 3.26Å
290	E	60.5	Low	84	Confident	168 Å²	168	76.9 Å²	76.9	79%	0.785	38%	0.375	S	S	*	.			trans	-74.7	-8.8	173.7	-63.4	-171.5	166.5	0	0	112.8	S288 N292	S288-E290 PolarHBondContact O-N 3.25Å; E290-N292 PolarHBondContact O-N 3.19Å
291	R	60.8	Low	83.7	Confident	188 Å²	188	75 Å²	75	71%	0.709	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	116.7	-177.5	-60.2	172.4	-66	-177.3	3.2	110.1	D289	D289-R291 PolarHBondContact O-N 2.74Å; D289-R291 WeakPolarHBondContact OD1-CB 3.3Å; D289-R291 VanDerWaalsContact OD1-CG 3.3Å; D289-R291 WeakPolarHBondContact OD1-CG 3.24Å; D289-R291 IonicContact OD1-CZ 3.83Å; D289-R291 PolarHBondContact OD1-N 2.92Å; D289-R291 IonicContact OD1-NE 2.82Å; D289-R291 PolarHBondContact OD1-NE 3.45Å; D289-R291 IonicContact OD1-NH2 3.79Å; D289-R291 IonicContact OD2-CZ 2.8Å; D289-R291 IonicContact OD2-NE 3.75Å; D289-R291 PolarHBondContact OD2-NE 3.48Å; D289-R291 IonicContact OD2-NH2 3.61Å; D289-R291 PolarHBondContact OD2-NH2 2.66Å
292	N	61.8	Low	83.4	Confident	97 Å²	97	79.4 Å²	79.4	52%	0.519	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	71.5	174.1	-86.8	-27.3	0	0	0	114.2	E290 K294 S297	E290-N292 PolarHBondContact O-N 3.19Å; N292-K294 PolarHBondContact O-N 3.08Å; N292-S297 WeakPolarHBondContact O-CB 3.41Å; N292-S297 PolarHBondContact O-OG 2.99Å
293	Q	75.9	Confident	83.2	Confident	130 Å²	130	83.6 Å²	83.6	61%	0.607	40%	0.404	S	S	*	.			trans	-72.9	35.3	166.6	-58.8	-174.6	6	0	0	113.6
294	K	89.6	Confident	83	Confident	126 Å²	126	84.9 Å²	84.9	55%	0.548	41%	0.41	S	S	.	.			trans	-85.3	139.4	176	-63.8	-176.2	-175.5	178.2	0	108.7	N292 G296 S297 C310	N292-K294 PolarHBondContact O-N 3.08Å; K294-G296 PolarHBondContact O-N 3Å; K294-S297 VanDerWaalsContact O-CB 3.24Å; K294-S297 WeakPolarHBondContact O-CB 3.07Å; K294-S297 PolarHBondContact O-N 3.34Å; K294-S297 PolarHBondContact O-OG 2.8Å; K294-S297 VanDerWaalsContact O-OG 3.08Å; K294-C310 WeakPolarHBondContact O-CB 3.39Å
295	P	93.4	Very high	83.1	Confident	43 Å²	43	82.8 Å²	82.8	28%	0.279	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	134.8	172	-29	35.6	0	0	0	111.9	W246 E247 C310	W246-P295 HydrophobicContact CB-CB 3.98Å; W246-P295 WeakPolarHBondContact O-CB 3.3Å; E247-P295 HydrophobicContact CB-CB 4.46Å; E247-P295 HydrophobicContact CG-CB 4.08Å; P295-C310 WeakPolarHBondContact CA-O 3.45Å
296	G	92.8	Very high	83.3	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-11.2	-174.9	0	0	0	0	0	115.3	K294 V298 C310 F354	K294-G296 PolarHBondContact O-N 3Å; G296-V298 WeakPolarHBondContact O-CG2 3.16Å; G296-V298 PolarHBondContact O-N 3.02Å; G296-C310 PolarHBondContact N-O 3.28Å; G296-F354 WeakPolarHBondContact CA-O 3.34Å; G296-F354 PolarHBondContact O-N 3.46Å
297	S	92.3	Very high	83.8	Confident	8 Å²	8	72.2 Å²	72.2	6%	0.056	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-59.2	134.7	171.3	-75	0	0	0	0	111.4	N292 K294 V309 C310 W315	N292-S297 WeakPolarHBondContact O-CB 3.41Å; N292-S297 PolarHBondContact O-OG 2.99Å; K294-S297 VanDerWaalsContact O-CB 3.24Å; K294-S297 WeakPolarHBondContact O-CB 3.07Å; K294-S297 PolarHBondContact O-N 3.34Å; K294-S297 PolarHBondContact O-OG 2.8Å; K294-S297 VanDerWaalsContact O-OG 3.08Å; S297-V309 CarbonylContact O-C 3.58Å; S297-V309 VanDerWaalsContact O-CA 3.31Å; S297-V309 WeakPolarHBondContact O-CA 3.1Å; S297-C310 PolarHBondContact O-N 3.07Å; S297-W315 WeakPolarHBondContact O-CZ3 3.4Å
298	V	91.7	Very high	84.7	Confident	25 Å²	25	70.8 Å²	70.8	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.9	-178.5	-172.1	0	0	0	0	109.6	G296 L307 S308 V309 L337 F354	G296-V298 WeakPolarHBondContact O-CG2 3.16Å; G296-V298 PolarHBondContact O-N 3.02Å; V298-L307 HydrophobicContact CG1-CB 4.37Å; V298-L307 HydrophobicContact CG1-CD2 4.25Å; V298-S308 CarbonylContact C-O 3.57Å; V298-S308 WeakPolarHBondContact CA-O 3.31Å; V298-V309 HydrophobicContact CG2-CG1 4.43Å; V298-V309 HydrophobicContact CG2-CG2 4.45Å; V298-L337 HydrophobicContact CB-CD2 4.13Å; V298-L337 HydrophobicContact CG1-CD1 4.02Å; V298-L337 HydrophobicContact CG1-CD2 4.15Å; V298-F354 HydrophobicContact CG1-CE2 4.46Å; V298-F354 HydrophobicContact CG1-CZ 4.37Å; V298-F354 HydrophobicContact CG2-CB 4.05Å; V298-F354 HydrophobicContact CG2-CD1 3.63Å; V298-F354 HydrophobicContact CG2-CD2 3.69Å; V298-F354 HydrophobicContact CG2-CE1 3.89Å; V298-F354 HydrophobicContact CG2-CE2 3.94Å; V298-F354 HydrophobicContact CG2-CG 3.51Å; V298-F354 HydrophobicContact CG2-CZ 4.03Å
299	Y	90.3	Very high	86	Confident	67 Å²	67	65.3 Å²	65.3	26%	0.263	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134	176	176.4	-99.2	0	0	0	109.7	D289 D301 L307 S308	D289-Y299 HydrophobicContact CB-CD2 3.94Å; D289-Y299 HydrophobicContact CB-CE2 3.97Å; D289-Y299 VanDerWaalsContact OD2-CD2 3.24Å; D289-Y299 WeakPolarHBondContact OD2-CD2 3.41Å; D289-Y299 VanDerWaalsContact OD2-CE2 3.32Å; D289-Y299 WeakPolarHBondContact OD2-CE2 3.26Å; Y299-D301 HydrophobicContact CD1-CB 4.28Å; Y299-D301 HydrophobicContact CE1-CB 3.92Å; Y299-L307 CarbonylContact O-C 3.38Å; Y299-L307 WeakPolarHBondContact O-CA 3.48Å; Y299-S308 PolarHBondContact N-O 2.96Å; Y299-S308 PolarHBondContact O-N 2.65Å
300	Y	92.7	Very high	87.4	Confident	34 Å²	34	64.4 Å²	64.4	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.3	171.7	172.2	-120.5	0	0	0	109.7	K302 N305 T306 L307 A329 A330 H333	Y300-K302 HydrophobicContact CD1-CG 4.02Å; Y300-K302 HydrophobicContact CE1-CB 4.38Å; Y300-K302 HydrophobicContact CE1-CG 3.58Å; Y300-N305 WeakPolarHBondContact CE2-OD1 3.31Å; Y300-N305 PolarHBondContact OH-OD1 3Å; Y300-T306 WeakPolarHBondContact CD2-O 3.48Å; Y300-L307 HydrophobicContact CD2-CD2 4.23Å; Y300-A329 HydrophobicContact CD2-CB 3.96Å; Y300-A329 HydrophobicContact CE2-CB 3.82Å; Y300-A330 HydrophobicContact CE2-CB 4.34Å; Y300-A330 WeakPolarHBondContact OH-CB 3.46Å; Y300-H333 WeakPolarHBondContact CB-CD2 3.29Å; Y300-H333 HydrophobicContact CD1-CB 3.76Å; Y300-H333 AromaticContact CD1-CD2 3.53Å; Y300-H333 AromaticContact CD1-CE1 3.84Å; Y300-H333 AromaticContact CD1-CG 3.36Å; Y300-H333 AromaticContact CD1-ND1 3.61Å; Y300-H333 AromaticContact CD1-NE2 3.82Å; Y300-H333 HydrophobicContact CD2-CB 4.18Å; Y300-H333 HydrophobicContact CE1-CB 4.35Å; Y300-H333 HydrophobicContact CG-CB 3.66Å; Y300-H333 AromaticContact CG-CD2 3.75Å; Y300-H333 AromaticContact CG-CG 3.67Å
301	D	90.8	Very high	89	Confident	37 Å²	37	56.6 Å²	56.6	20%	0.198	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.3	171.9	177.6	2.4	0	0	0	109.4	Y299 D303 S304 N305 T306	Y299-D301 HydrophobicContact CD1-CB 4.28Å; Y299-D301 HydrophobicContact CE1-CB 3.92Å; D301-D303 PolarHBondContact OD1-N 2.62Å; D301-S304 WeakPolarHBondContact CB-OG 3.45Å; D301-S304 PolarHBondContact OD1-N 3.44Å; D301-S304 VanDerWaalsContact OD2-CB 3.29Å; D301-S304 WeakPolarHBondContact OD2-CB 3.32Å; D301-S304 PolarHBondContact OD2-OG 2.93Å; D301-N305 WeakPolarHBondContact O-CA 3.24Å; D301-N305 PolarHBondContact O-N 3.27Å; D301-T306 PolarHBondContact N-O 3.41Å; D301-T306 PolarHBondContact O-N 2.8Å; D301-T306 VanDerWaalsContact O-N 3.15Å
302	K	90.1	Very high	90.7	Very high	154 Å²	154	52.8 Å²	52.8	67%	0.67	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-35	-179.3	-70.9	178.8	-179.4	178.1	0	112.6	Y300	Y300-K302 HydrophobicContact CD1-CG 4.02Å; Y300-K302 HydrophobicContact CE1-CB 4.38Å; Y300-K302 HydrophobicContact CE1-CG 3.58Å
303	D	90.4	Very high	92.2	Very high	161 Å²	161	51.9 Å²	51.9	86%	0.861	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-44.6	-171.8	-64.5	-24.5	0	0	0	110.2	D301	D301-D303 PolarHBondContact OD1-N 2.62Å
304	S	91.3	Very high	93	Very high	41 Å²	41	46.6 Å²	46.6	29%	0.287	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.1	176.6	69.9	0	0	0	0	113.8	D301 T306 R319	D301-S304 WeakPolarHBondContact CB-OG 3.45Å; D301-S304 PolarHBondContact OD1-N 3.44Å; D301-S304 VanDerWaalsContact OD2-CB 3.29Å; D301-S304 WeakPolarHBondContact OD2-CB 3.32Å; D301-S304 PolarHBondContact OD2-OG 2.93Å; S304-T306 WeakPolarHBondContact OG-CG2 3.37Å; S304-T306 PolarHBondContact OG-OG1 3.37Å; S304-R319 PolarHBondContact O-NH1 2.82Å
305	N	94.4	Very high	93.3	Very high	63 Å²	63	41.6 Å²	41.6	34%	0.337	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	57	-169.8	-171.8	19.5	0	0	0	111.5	Y300 D301 A329 A330	Y300-N305 WeakPolarHBondContact CE2-OD1 3.31Å; Y300-N305 PolarHBondContact OH-OD1 3Å; D301-N305 WeakPolarHBondContact O-CA 3.24Å; D301-N305 PolarHBondContact O-N 3.27Å; N305-A329 WeakPolarHBondContact O-CB 3.49Å; N305-A330 PolarHBondContact OD1-N 2.61Å
306	T	96.1	Very high	93.5	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.4	-178.9	65.5	0	0	0	0	112.6	V282 Y300 D301 S304 A317 R319	V282-T306 HydrophobicContact CG2-CG2 4Å; Y300-T306 WeakPolarHBondContact CD2-O 3.48Å; D301-T306 PolarHBondContact N-O 3.41Å; D301-T306 PolarHBondContact O-N 2.8Å; D301-T306 VanDerWaalsContact O-N 3.15Å; S304-T306 WeakPolarHBondContact OG-CG2 3.37Å; S304-T306 PolarHBondContact OG-OG1 3.37Å; T306-A317 HydrophobicContact CG2-CB 4.33Å; T306-R319 HydrophobicContact CG2-CG 4.13Å
307	L	94.9	Very high	93.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	107.4	163.9	-62.8	175.2	0	0	0	108.3	V298 Y299 Y300 A317 F318 V321 A329 F332 L337	V298-L307 HydrophobicContact CG1-CB 4.37Å; V298-L307 HydrophobicContact CG1-CD2 4.25Å; Y299-L307 CarbonylContact O-C 3.38Å; Y299-L307 WeakPolarHBondContact O-CA 3.48Å; Y300-L307 HydrophobicContact CD2-CD2 4.23Å; L307-A317 WeakPolarHBondContact O-CA 3.36Å; L307-F318 PolarHBondContact N-O 2.76Å; L307-F318 PolarHBondContact O-N 3.35Å; L307-V321 HydrophobicContact CD1-CG1 3.6Å; L307-A329 HydrophobicContact CD2-CB 4.19Å; L307-A329 HydrophobicContact CG-CB 3.75Å; L307-F332 HydrophobicContact CD1-CB 4.13Å; L307-F332 HydrophobicContact CD1-CD1 3.55Å; L307-F332 HydrophobicContact CD1-CE1 4.27Å; L307-F332 HydrophobicContact CD1-CG 4.04Å; L307-F332 HydrophobicContact CD2-CD1 4.07Å; L307-F332 HydrophobicContact CG-CD1 4.48Å; L307-L337 HydrophobicContact CD2-CD1 3.78Å
308	S	94.8	Very high	93.9	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.5	170.5	-65.5	0	0	0	0	109.2	C285 V298 Y299 V316	C285-S308 PolarHBondContact SG-OG 2.78Å; V298-S308 CarbonylContact C-O 3.57Å; V298-S308 WeakPolarHBondContact CA-O 3.31Å; Y299-S308 PolarHBondContact N-O 2.96Å; Y299-S308 PolarHBondContact O-N 2.65Å; S308-V316 CarbonylContact C-O 3.07Å; S308-V316 WeakPolarHBondContact CA-O 3.4Å
309	V	95.3	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.7	180	-168.5	0	0	0	0	109.2	W246 S297 V298 W315 V316 F318 F354	W246-V309 HydrophobicContact CD2-CG1 3.92Å; W246-V309 HydrophobicContact CE3-CB 4.31Å; W246-V309 HydrophobicContact CE3-CG1 3.63Å; W246-V309 HydrophobicContact CH2-CB 3.77Å; W246-V309 HydrophobicContact CH2-CG1 3.56Å; W246-V309 HydrophobicContact CH2-CG2 4.15Å; W246-V309 HydrophobicContact CZ2-CB 4.46Å; W246-V309 HydrophobicContact CZ2-CG1 3.84Å; W246-V309 HydrophobicContact CZ3-CB 3.68Å; W246-V309 HydrophobicContact CZ3-CG1 3.45Å; W246-V309 VanDerWaalsContact CZ3-CG1 3.45Å; S297-V309 CarbonylContact O-C 3.58Å; S297-V309 VanDerWaalsContact O-CA 3.31Å; S297-V309 WeakPolarHBondContact O-CA 3.1Å; V298-V309 HydrophobicContact CG2-CG1 4.43Å; V298-V309 HydrophobicContact CG2-CG2 4.45Å; V309-W315 VanDerWaalsContact C-CE3 3.45Å; V309-W315 WeakPolarHBondContact O-CA 3.48Å; V309-V316 PolarHBondContact N-O 2.93Å; V309-V316 PolarHBondContact O-N 2.8Å; V309-F318 HydrophobicContact CG2-CD2 4.41Å; V309-F354 HydrophobicContact CB-CD2 4.34Å; V309-F354 HydrophobicContact CG1-CB 4.25Å; V309-F354 HydrophobicContact CG1-CD2 3.8Å; V309-F354 HydrophobicContact CG1-CG 4.44Å; V309-F354 HydrophobicContact CG2-CD2 3.56Å; V309-F354 HydrophobicContact CG2-CE2 3.59Å
310	C	94.8	Very high	94.5	Very high	5 Å²	5	41 Å²	41	3%	0.034	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.8	176.8	-170.6	0	0	0	0	110	K294 P295 G296 S297 G314 W315	K294-C310 WeakPolarHBondContact O-CB 3.39Å; P295-C310 WeakPolarHBondContact CA-O 3.45Å; G296-C310 PolarHBondContact N-O 3.28Å; S297-C310 PolarHBondContact O-N 3.07Å; C310-G314 CarbonylContact C-O 3.5Å; C310-G314 WeakPolarHBondContact CA-O 3.49Å; C310-W315 HydrophobicContact CB-CD2 3.8Å; C310-W315 HydrophobicContact CB-CE3 3.86Å; C310-W315 HydrophobicContact CB-CH2 3.76Å; C310-W315 HydrophobicContact CB-CZ2 3.68Å; C310-W315 HydrophobicContact CB-CZ3 3.84Å
311	C	95.2	Very high	94.7	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-167.2	171.2	65.8	0	0	0	0	109.7	W246 Q249 C251 I254 D313 G314	W246-C311 HydrophobicContact CE3-CB 3.97Å; W246-C311 CarbonylContact O-C 3.52Å; W246-C311 VanDerWaalsContact O-CA 3.31Å; W246-C311 WeakPolarHBondContact O-CA 3.49Å; Q249-C311 WeakPolarHBondContact O-CB 3.39Å; C251-C311 PolarHBondContact SG-SG 2.78Å; I254-C311 HydrophobicContact CD1-CB 3.66Å; C311-D313 VanDerWaalsContact C-N 3.28Å; C311-D313 PolarHBondContact O-N 3.03Å; C311-D313 VanDerWaalsContact O-N 3.16Å; C311-G314 PolarHBondContact N-O 2.56Å; C311-G314 PolarHBondContact SG-O 2.79Å
312	K	95.4	Very high	95	Very high	109 Å²	109	40.3 Å²	40.3	47%	0.474	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-40	-172.6	-176.8	167.8	-172.9	157.7	0	115.1	W246 E248 Q249 T250	W246-K312 PolarHBondContact O-N 2.96Å; E248-K312 WeakPolarHBondContact O-CD 3.44Å; E248-K312 PolarHBondContact O-NZ 2.83Å; E248-K312 IonicContact OE2-NZ 3.46Å; E248-K312 PolarHBondContact OE2-NZ 2.78Å; Q249-K312 VanDerWaalsContact O-CB 3.32Å; Q249-K312 WeakPolarHBondContact O-CB 3.49Å; Q249-K312 PolarHBondContact O-N 2.93Å; T250-K312 HydrophobicContact CG2-CD 4.47Å
313	D	93.7	Very high	95.2	Very high	77 Å²	77	34.2 Å²	34.2	41%	0.412	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	14.9	-169.1	73.1	-29.7	0	0	0	113.7	T250 C251 C311	T250-D313 WeakPolarHBondContact CA-OD1 3.29Å; T250-D313 VanDerWaalsContact CB-CG 3.46Å; T250-D313 VanDerWaalsContact CB-OD1 3.26Å; T250-D313 WeakPolarHBondContact CB-OD1 3.26Å; T250-D313 WeakPolarHBondContact CB-OD2 3.25Å; T250-D313 HydrophobicContact CG2-CB 4.33Å; C251-D313 PolarHBondContact N-OD1 3.46Å; C311-D313 VanDerWaalsContact C-N 3.28Å; C311-D313 PolarHBondContact O-N 3.03Å; C311-D313 VanDerWaalsContact O-N 3.16Å
314	G	94.1	Very high	95.2	Very high	19 Å²	19	32.4 Å²	32.4	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-150.8	179.7	0	0	0	0	0	114	C310 C311	C310-G314 CarbonylContact C-O 3.5Å; C310-G314 WeakPolarHBondContact CA-O 3.49Å; C311-G314 PolarHBondContact N-O 2.56Å; C311-G314 PolarHBondContact SG-O 2.79Å
315	W	95.1	Very high	95.3	Very high	21 Å²	21	37 Å²	37	8%	0.08	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.6	-177.9	-65	76.8	0	0	0	110.8	K284 C285 T287 S297 V309 C310	K284-W315 CarbonylContact C-O 3.54Å; K284-W315 WeakPolarHBondContact CA-O 3.41Å; C285-W315 PolarHBondContact N-O 3.44Å; C285-W315 VanDerWaalsContact SG-CB 3.57Å; T287-W315 HydrophobicContact CG2-CD2 3.53Å; T287-W315 HydrophobicContact CG2-CE3 4.13Å; T287-W315 HydrophobicContact CG2-CG 3.84Å; T287-W315 HydrophobicContact CG2-CH2 4.23Å; T287-W315 HydrophobicContact CG2-CZ2 3.65Å; T287-W315 HydrophobicContact CG2-CZ3 4.45Å; S297-W315 WeakPolarHBondContact O-CZ3 3.4Å; V309-W315 VanDerWaalsContact C-CE3 3.45Å; V309-W315 WeakPolarHBondContact O-CA 3.48Å; C310-W315 HydrophobicContact CB-CD2 3.8Å; C310-W315 HydrophobicContact CB-CE3 3.86Å; C310-W315 HydrophobicContact CB-CH2 3.76Å; C310-W315 HydrophobicContact CB-CZ2 3.68Å; C310-W315 HydrophobicContact CB-CZ3 3.84Å
316	V	96.9	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.5	173.6	-68.6	0	0	0	0	111.1	W246 C251 I254 F281 G283 S308 V309 F318	W246-V316 HydrophobicContact CH2-CG2 4.35Å; W246-V316 HydrophobicContact CZ3-CG2 3.69Å; C251-V316 HydrophobicContact CB-CG1 3.92Å; I254-V316 HydrophobicContact CD1-CG2 4.16Å; I254-V316 HydrophobicContact CG2-CG2 4.4Å; F281-V316 HydrophobicContact CE2-CB 3.94Å; F281-V316 HydrophobicContact CE2-CG1 4.23Å; F281-V316 HydrophobicContact CZ-CG1 4.46Å; G283-V316 CarbonylContact O-C 3.57Å; G283-V316 WeakPolarHBondContact O-CA 3.45Å; S308-V316 CarbonylContact C-O 3.07Å; S308-V316 WeakPolarHBondContact CA-O 3.4Å; V309-V316 PolarHBondContact N-O 2.93Å; V309-V316 PolarHBondContact O-N 2.8Å; V316-F318 HydrophobicContact CG2-CE2 3.91Å
317	A	97.1	Very high	95.5	Very high	2 Å²	2	41 Å²	41	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.7	-173.6	0	0	0	0	0	113.7	V282 G283 C285 T306 L307	V282-A317 HydrophobicContact CB-CB 3.92Å; V282-A317 HydrophobicContact CG1-CB 4.49Å; V282-A317 HydrophobicContact CG2-CB 4.36Å; V282-A317 PolarHBondContact N-O 3.15Å; G283-A317 PolarHBondContact O-N 2.8Å; C285-A317 HydrophobicContact CB-CB 4.14Å; T306-A317 HydrophobicContact CG2-CB 4.33Å; L307-A317 WeakPolarHBondContact O-CA 3.36Å
318	F	97.6	Very high	95.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.6	174.7	-61.7	-92.7	0	0	0	110.3	I244 W246 I254 L278 F281 L307 V309 V316	I244-F318 HydrophobicContact CD1-CZ 4.23Å; W246-F318 HydrophobicContact CH2-CE2 4.09Å; I254-F318 HydrophobicContact CG2-CZ 4.49Å; L278-F318 HydrophobicContact CB-CD1 3.69Å; L278-F318 HydrophobicContact CB-CE1 3.61Å; L278-F318 HydrophobicContact CB-CG 4.17Å; L278-F318 HydrophobicContact CB-CZ 4.08Å; L278-F318 HydrophobicContact CD1-CE1 4.42Å; L278-F318 HydrophobicContact CD1-CE2 4.14Å; L278-F318 HydrophobicContact CD1-CZ 4.02Å; L278-F318 HydrophobicContact CD2-CD1 4.49Å; L278-F318 HydrophobicContact CD2-CD2 4.07Å; L278-F318 HydrophobicContact CD2-CE2 4.39Å; L278-F318 HydrophobicContact CD2-CG 4.12Å; L278-F318 HydrophobicContact CG-CE1 4.47Å; L278-F318 HydrophobicContact CG-CZ 4.5Å; F281-F318 HydrophobicContact CB-CD1 4.05Å; F281-F318 HydrophobicContact CB-CE1 3.94Å; F281-F318 AromaticContact CD2-CD1 3.96Å; F281-F318 HydrophobicContact CD2-CD1 3.96Å; F281-F318 AromaticContact CD2-CE1 3.44Å; F281-F318 HydrophobicContact CD2-CE1 3.44Å; F281-F318 VanDerWaalsContact CD2-CE1 3.44Å; F281-F318 HydrophobicContact CD2-CE2 4.2Å; F281-F318 AromaticContact CD2-CZ 3.57Å; F281-F318 HydrophobicContact CD2-CZ 3.57Å; F281-F318 HydrophobicContact CE2-CE1 4.35Å; F281-F318 HydrophobicContact CE2-CZ 4.05Å; F281-F318 HydrophobicContact CG-CE1 4.14Å; L307-F318 PolarHBondContact N-O 2.76Å; L307-F318 PolarHBondContact O-N 3.35Å; V309-F318 HydrophobicContact CG2-CD2 4.41Å; V316-F318 HydrophobicContact CG2-CE2 3.91Å
319	R	97.3	Very high	95.7	Very high	116 Å²	116	43.5 Å²	43.5	44%	0.438	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-26	178.1	-63.8	-174	176.9	-74.9	-0.9	113.8	D280 V282 S304 T306 A329	D280-R319 HydrophobicContact CB-CB 3.89Å; D280-R319 PolarHBondContact O-N 3.04Å; V282-R319 HydrophobicContact CG2-CG 3.68Å; S304-R319 PolarHBondContact O-NH1 2.82Å; T306-R319 HydrophobicContact CG2-CG 4.13Å; R319-A329 PolarHBondContact O-N 3.42Å
320	T	97.3	Very high	95.7	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146	-171.7	-53.4	0	0	0	0	111.2	L279 D280 R326 L327	L279-T320 HydrophobicContact CB-CG2 4.36Å; L279-T320 WeakPolarHBondContact CB-O 3.34Å; L279-T320 HydrophobicContact CD1-CG2 4.18Å; L279-T320 PolarHBondContact N-O 3.19Å; L279-T320 PolarHBondContact O-N 2.78Å; L279-T320 VanDerWaalsContact O-O 3.06Å; D280-T320 WeakPolarHBondContact OD2-CB 3.39Å; D280-T320 PolarHBondContact OD2-OG1 2.94Å; T320-R326 HydrophobicContact CG2-CG 3.36Å; T320-R326 PolarHBondContact OG1-NH1 2.84Å; T320-L327 WeakPolarHBondContact CA-O 3.35Å; T320-L327 WeakPolarHBondContact CG2-O 3.49Å
321	V	97.1	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154	168.6	-57.7	0	0	0	0	111.2	L276 K277 L278 L307 L327 F332	L276-V321 HydrophobicContact CD1-CB 4.14Å; L276-V321 HydrophobicContact CD1-CG1 4.46Å; L276-V321 HydrophobicContact CD1-CG2 4.29Å; L276-V321 HydrophobicContact CD2-CB 3.87Å; L276-V321 HydrophobicContact CD2-CG1 3.81Å; L276-V321 HydrophobicContact CG-CB 4.1Å; K277-V321 CarbonylContact O-C 3.55Å; K277-V321 WeakPolarHBondContact O-CA 3.4Å; L278-V321 HydrophobicContact CD2-CG1 4.1Å; L307-V321 HydrophobicContact CD1-CG1 3.6Å; V321-L327 HydrophobicContact CG2-CB 3.89Å; V321-L327 HydrophobicContact CG2-CD1 4.33Å; V321-L327 PolarHBondContact N-O 2.86Å; V321-L327 PolarHBondContact O-N 2.87Å; V321-F332 HydrophobicContact CG2-CB 3.93Å; V321-F332 HydrophobicContact CG2-CD2 3.57Å; V321-F332 HydrophobicContact CG2-CE2 4.26Å; V321-F332 HydrophobicContact CG2-CG 3.82Å
322	L	96.8	Very high	95.8	Very high	55 Å²	55	48 Å²	48	29%	0.288	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	109.2	171.2	171.1	63.5	0	0	0	109	K277 L279 K325	K277-L322 HydrophobicContact CB-CB 4.17Å; K277-L322 HydrophobicContact CD-CD2 4.04Å; K277-L322 PolarHBondContact N-O 3.42Å; K277-L322 PolarHBondContact O-N 2.83Å; L279-L322 HydrophobicContact CD1-CB 3.81Å; L322-K325 VanDerWaalsContact CD1-C 3.45Å
323	L	92.9	Very high	95.7	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.136	22%	0.217	C	C	.	.	S	Bend	trans	-104.7	-90.8	172.8	-175.6	67	0	0	0	109	K274 L276 K325 Y336	K274-L323 HydrophobicContact CB-CD1 3.83Å; L276-L323 HydrophobicContact CB-CD1 4.27Å; L323-K325 PolarHBondContact N-O 2.92Å; L323-Y336 HydrophobicContact CD2-CD1 4.46Å; L323-Y336 HydrophobicContact CD2-CE1 3.76Å
324	N	90.4	Very high	95.6	Very high	124 Å²	124	45.1 Å²	45.1	66%	0.663	22%	0.223	S	C	*	.	S	Bend	trans	-95.2	-27.3	169.4	-65.7	-11	0	0	0	112.2
325	K	94.8	Very high	95.4	Very high	137 Å²	137	45.5 Å²	45.5	60%	0.596	23%	0.226	S	C	*	.	S	Bend	trans	-139.7	162.7	175.5	64.3	-178	-175.7	177.8	0	108.9	L322 L323 L327	L322-K325 VanDerWaalsContact CD1-C 3.45Å; L323-K325 PolarHBondContact N-O 2.92Å; K325-L327 HydrophobicContact CD-CD2 4.17Å; K325-L327 VanDerWaalsContact CE-CD2 3.42Å; K325-L327 HydrophobicContact CG-CD2 3.82Å; K325-L327 HydrophobicContact CG-CG 4.09Å
326	R	97.1	Very high	95	Very high	143 Å²	143	47.8 Å²	47.8	54%	0.54	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.9	171.2	-169.4	179.2	-116.8	-98.3	1.4	108.3	D280 T320	D280-R326 IonicContact OD1-NH2 3.36Å; D280-R326 IonicContact OD2-CZ 3.53Å; D280-R326 IonicContact OD2-NH1 2.93Å; D280-R326 PolarHBondContact OD2-NH1 2.93Å; D280-R326 IonicContact OD2-NH2 3.18Å; T320-R326 HydrophobicContact CG2-CG 3.36Å; T320-R326 PolarHBondContact OG1-NH1 2.84Å
327	L	97.4	Very high	94.4	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.6	-176.5	-65.1	168.5	0	0	0	109.2	T320 V321 K325 D331 F332 Y336	T320-L327 WeakPolarHBondContact CA-O 3.35Å; T320-L327 WeakPolarHBondContact CG2-O 3.49Å; V321-L327 HydrophobicContact CG2-CB 3.89Å; V321-L327 HydrophobicContact CG2-CD1 4.33Å; V321-L327 PolarHBondContact N-O 2.86Å; V321-L327 PolarHBondContact O-N 2.87Å; K325-L327 HydrophobicContact CD-CD2 4.17Å; K325-L327 VanDerWaalsContact CE-CD2 3.42Å; K325-L327 HydrophobicContact CG-CD2 3.82Å; K325-L327 HydrophobicContact CG-CG 4.09Å; L327-D331 HydrophobicContact CB-CB 4.24Å; L327-D331 HydrophobicContact CD2-CB 3.97Å; L327-F332 HydrophobicContact CB-CB 4.42Å; L327-F332 HydrophobicContact CD1-CD2 4.1Å; L327-Y336 HydrophobicContact CD1-CD2 4.26Å; L327-Y336 HydrophobicContact CD1-CE2 3.58Å
328	T	97.6	Very high	93.4	Very high	55 Å²	55	51.6 Å²	51.6	34%	0.337	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	163.7	167.9	66.2	0	0	0	0	110.5	A330 D331 F332	T328-A330 VanDerWaalsContact C-N 3.27Å; T328-A330 PolarHBondContact O-N 3Å; T328-D331 PolarHBondContact N-OD2 2.95Å; T328-D331 PolarHBondContact O-N 2.87Å; T328-D331 PolarHBondContact OG1-N 3.28Å; T328-D331 VanDerWaalsContact OG1-N 3.1Å; T328-D331 PolarHBondContact OG1-OD2 2.81Å; T328-F332 WeakPolarHBondContact O-CB 3.2Å; T328-F332 PolarHBondContact O-N 3.21Å
329	A	95.9	Very high	91.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-52.5	-45.9	172.5	0	0	0	0	0	112.1	Y300 N305 L307 R319 F332 H333	Y300-A329 HydrophobicContact CD2-CB 3.96Å; Y300-A329 HydrophobicContact CE2-CB 3.82Å; N305-A329 WeakPolarHBondContact O-CB 3.49Å; L307-A329 HydrophobicContact CD2-CB 4.19Å; L307-A329 HydrophobicContact CG-CB 3.75Å; R319-A329 PolarHBondContact O-N 3.42Å; A329-F332 PolarHBondContact O-N 3.21Å; A329-H333 WeakPolarHBondContact O-CB 3.2Å; A329-H333 PolarHBondContact O-N 3.11Å
330	A	95.9	Very high	90	Very high	21 Å²	21	52.3 Å²	52.3	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-46.5	175.1	0	0	0	0	0	113.3	Y300 N305 T328 F332 H333 N334	Y300-A330 HydrophobicContact CE2-CB 4.34Å; Y300-A330 WeakPolarHBondContact OH-CB 3.46Å; N305-A330 PolarHBondContact OD1-N 2.61Å; T328-A330 VanDerWaalsContact C-N 3.27Å; T328-A330 PolarHBondContact O-N 3Å; A330-F332 VanDerWaalsContact C-N 3.35Å; A330-F332 PolarHBondContact O-N 2.89Å; A330-H333 PolarHBondContact O-N 3.19Å; A330-N334 WeakPolarHBondContact O-CB 3.39Å; A330-N334 VanDerWaalsContact O-CG 3.24Å; A330-N334 PolarHBondContact O-N 3.31Å; A330-N334 PolarHBondContact O-ND2 2.82Å
331	D	95.7	Very high	88.1	Confident	80 Å²	80	57 Å²	57	43%	0.428	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-42.1	179.2	-63.4	-43.1	0	0	0	111.6	L327 T328 H333 N334 G335	L327-D331 HydrophobicContact CB-CB 4.24Å; L327-D331 HydrophobicContact CD2-CB 3.97Å; T328-D331 PolarHBondContact N-OD2 2.95Å; T328-D331 PolarHBondContact O-N 2.87Å; T328-D331 PolarHBondContact OG1-N 3.28Å; T328-D331 VanDerWaalsContact OG1-N 3.1Å; T328-D331 PolarHBondContact OG1-OD2 2.81Å; D331-H333 VanDerWaalsContact C-N 3.35Å; D331-N334 PolarHBondContact O-N 2.94Å; D331-G335 PolarHBondContact O-N 3.48Å
332	F	95.4	Very high	85.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-42.3	177.2	-174.9	-101.6	0	0	0	111.1	W271 L276 L307 V321 L327 T328 A329 A330 Y336 L337 F354	W271-F332 HydrophobicContact CD2-CE2 4.47Å; W271-F332 AromaticContact CD2-CZ 3.74Å; W271-F332 HydrophobicContact CD2-CZ 3.74Å; W271-F332 AromaticContact CE2-CZ 3.64Å; W271-F332 HydrophobicContact CE3-CZ 4.1Å; W271-F332 HydrophobicContact CG-CZ 4.2Å; W271-F332 HydrophobicContact CH2-CE1 4.43Å; W271-F332 HydrophobicContact CH2-CZ 4.2Å; W271-F332 HydrophobicContact CZ2-CE1 4.49Å; W271-F332 AromaticContact CZ2-CZ 3.92Å; W271-F332 HydrophobicContact CZ2-CZ 3.92Å; W271-F332 HydrophobicContact CZ3-CZ 4.27Å; L276-F332 HydrophobicContact CD1-CD2 4.46Å; L276-F332 HydrophobicContact CD1-CE2 3.64Å; L276-F332 HydrophobicContact CD1-CZ 3.88Å; L307-F332 HydrophobicContact CD1-CB 4.13Å; L307-F332 HydrophobicContact CD1-CD1 3.55Å; L307-F332 HydrophobicContact CD1-CE1 4.27Å; L307-F332 HydrophobicContact CD1-CG 4.04Å; L307-F332 HydrophobicContact CD2-CD1 4.07Å; L307-F332 HydrophobicContact CG-CD1 4.48Å; V321-F332 HydrophobicContact CG2-CB 3.93Å; V321-F332 HydrophobicContact CG2-CD2 3.57Å; V321-F332 HydrophobicContact CG2-CE2 4.26Å; V321-F332 HydrophobicContact CG2-CG 3.82Å; L327-F332 HydrophobicContact CB-CB 4.42Å; L327-F332 HydrophobicContact CD1-CD2 4.1Å; T328-F332 WeakPolarHBondContact O-CB 3.2Å; T328-F332 PolarHBondContact O-N 3.21Å; A329-F332 PolarHBondContact O-N 3.21Å; A330-F332 VanDerWaalsContact C-N 3.35Å; A330-F332 PolarHBondContact O-N 2.89Å; F332-Y336 AromaticContact CD2-CD2 3.68Å; F332-Y336 HydrophobicContact CD2-CD2 3.68Å; F332-Y336 HydrophobicContact CD2-CE2 4.36Å; F332-Y336 HydrophobicContact CD2-CG 4.05Å; F332-Y336 HydrophobicContact CE2-CD2 4.01Å; F332-Y336 AromaticContact CE2-CG 3.91Å; F332-Y336 HydrophobicContact CE2-CG 3.91Å; F332-Y336 HydrophobicContact CG-CD2 4.42Å; F332-Y336 WeakPolarHBondContact O-CA 3.11Å; F332-Y336 WeakPolarHBondContact O-CB 3.44Å; F332-Y336 PolarHBondContact O-N 3.45Å; F332-L337 HydrophobicContact CD1-CD1 4.02Å; F332-L337 HydrophobicContact CD1-CG 3.96Å; F332-L337 HydrophobicContact CE1-CD1 4.17Å; F332-L337 HydrophobicContact CE1-CD2 4Å; F332-L337 HydrophobicContact CE1-CG 3.81Å; F332-L337 PolarHBondContact O-N 3.3Å; F332-F354 HydrophobicContact CE1-CE1 4.06Å; F332-F354 HydrophobicContact CE1-CZ 4.15Å; F332-F354 AromaticContact CZ-CE1 3.93Å; F332-F354 HydrophobicContact CZ-CE1 3.93Å; F332-F354 HydrophobicContact CZ-CZ 4.31Å
333	H	93	Very high	83.5	Confident	30 Å²	30	66.4 Å²	66.4	14%	0.139	34%	0.339	C	S	.	.	I	π-helix	trans	-59.8	-50.9	175.6	170.4	-96.5	0	0	0	112.3	Y300 A329 A330 D331 G335 L337 N338	Y300-H333 WeakPolarHBondContact CB-CD2 3.29Å; Y300-H333 HydrophobicContact CD1-CB 3.76Å; Y300-H333 AromaticContact CD1-CD2 3.53Å; Y300-H333 AromaticContact CD1-CE1 3.84Å; Y300-H333 AromaticContact CD1-CG 3.36Å; Y300-H333 AromaticContact CD1-ND1 3.61Å; Y300-H333 AromaticContact CD1-NE2 3.82Å; Y300-H333 HydrophobicContact CD2-CB 4.18Å; Y300-H333 HydrophobicContact CE1-CB 4.35Å; Y300-H333 HydrophobicContact CG-CB 3.66Å; Y300-H333 AromaticContact CG-CD2 3.75Å; Y300-H333 AromaticContact CG-CG 3.67Å; A329-H333 WeakPolarHBondContact O-CB 3.2Å; A329-H333 PolarHBondContact O-N 3.11Å; A330-H333 PolarHBondContact O-N 3.19Å; D331-H333 VanDerWaalsContact C-N 3.35Å; H333-G335 PolarHBondContact O-N 3.29Å; H333-L337 HydrophobicContact CB-CD1 4.2Å; H333-L337 PolarHBondContact O-N 3.23Å; H333-N338 VanDerWaalsContact CE1-CG 3.44Å; H333-N338 PolarHBondContact CE1-ND2 3.45Å; H333-N338 PolarHBondContact CE1-OD1 3.3Å; H333-N338 PolarHBondContact NE2-OD1 2.9Å; H333-N338 WeakPolarHBondContact O-CB 3.49Å; H333-N338 PolarHBondContact O-N 3.06Å
334	N	92.1	Very high	81.3	Confident	97 Å²	97	68 Å²	68	52%	0.519	35%	0.348	S	S	.	.	I	π-helix	trans	-67.5	-37	-177.3	-67.4	-19.8	0	0	0	112.5	A330 D331	A330-N334 WeakPolarHBondContact O-CB 3.39Å; A330-N334 VanDerWaalsContact O-CG 3.24Å; A330-N334 PolarHBondContact O-N 3.31Å; A330-N334 PolarHBondContact O-ND2 2.82Å; D331-N334 PolarHBondContact O-N 2.94Å
335	G	89.1	Confident	79.2	Confident	27 Å²	27	68.8 Å²	68.8	28%	0.278	36%	0.357	S	S	.	.	I	π-helix	trans	-87.1	-26.1	-176.7	0	0	0	0	0	115.3	D331 H333 Q339	D331-G335 PolarHBondContact O-N 3.48Å; H333-G335 PolarHBondContact O-N 3.29Å; G335-Q339 PolarHBondContact O-NE2 3.22Å; G335-Q339 PolarHBondContact O-OE1 3.48Å
336	Y	88.3	Confident	76.5	Confident	68 Å²	68	65.9 Å²	65.9	27%	0.267	35%	0.354	S	S	.	.	I	π-helix	trans	-131.2	-50.3	-169.5	-60.3	-93.5	0	0	0	113.1	W271 L323 L327 F332 T340	W271-Y336 AromaticContact NE1-CD1 3.79Å; L323-Y336 HydrophobicContact CD2-CD1 4.46Å; L323-Y336 HydrophobicContact CD2-CE1 3.76Å; L327-Y336 HydrophobicContact CD1-CD2 4.26Å; L327-Y336 HydrophobicContact CD1-CE2 3.58Å; F332-Y336 AromaticContact CD2-CD2 3.68Å; F332-Y336 HydrophobicContact CD2-CD2 3.68Å; F332-Y336 HydrophobicContact CD2-CE2 4.36Å; F332-Y336 HydrophobicContact CD2-CG 4.05Å; F332-Y336 HydrophobicContact CE2-CD2 4.01Å; F332-Y336 AromaticContact CE2-CG 3.91Å; F332-Y336 HydrophobicContact CE2-CG 3.91Å; F332-Y336 HydrophobicContact CG-CD2 4.42Å; F332-Y336 WeakPolarHBondContact O-CA 3.11Å; F332-Y336 WeakPolarHBondContact O-CB 3.44Å; F332-Y336 PolarHBondContact O-N 3.45Å; Y336-T340 WeakPolarHBondContact O-CB 3.38Å; Y336-T340 PolarHBondContact O-N 3.41Å; Y336-T340 PolarHBondContact O-OG1 2.92Å
337	L	83	Confident	73.7	Confident	14 Å²	14	65 Å²	65	7%	0.073	37%	0.37	C	S	.	.	I	π-helix	trans	-68.6	-51.2	-176.1	-66.2	171.2	0	0	0	112	W271 V298 L307 F332 H333 Q339 T340 V341	W271-L337 HydrophobicContact CH2-CD2 3.61Å; W271-L337 HydrophobicContact CZ3-CD2 4.08Å; V298-L337 HydrophobicContact CB-CD2 4.13Å; V298-L337 HydrophobicContact CG1-CD1 4.02Å; V298-L337 HydrophobicContact CG1-CD2 4.15Å; L307-L337 HydrophobicContact CD2-CD1 3.78Å; F332-L337 HydrophobicContact CD1-CD1 4.02Å; F332-L337 HydrophobicContact CD1-CG 3.96Å; F332-L337 HydrophobicContact CE1-CD1 4.17Å; F332-L337 HydrophobicContact CE1-CD2 4Å; F332-L337 HydrophobicContact CE1-CG 3.81Å; F332-L337 PolarHBondContact O-N 3.3Å; H333-L337 HydrophobicContact CB-CD1 4.2Å; H333-L337 PolarHBondContact O-N 3.23Å; L337-Q339 VanDerWaalsContact C-N 3.27Å; L337-Q339 PolarHBondContact O-N 2.87Å; L337-T340 PolarHBondContact O-N 3.38Å; L337-V341 WeakPolarHBondContact O-CG2 3.47Å; L337-V341 PolarHBondContact O-N 2.87Å; L337-V341 VanDerWaalsContact O-N 3.11Å
338	N	77.1	Confident	71.1	Confident	69 Å²	69	71.6 Å²	71.6	37%	0.369	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-31.3	-177.7	-96.2	-10.1	0	0	0	113.6	H333 K342	H333-N338 VanDerWaalsContact CE1-CG 3.44Å; H333-N338 PolarHBondContact CE1-ND2 3.45Å; H333-N338 PolarHBondContact CE1-OD1 3.3Å; H333-N338 PolarHBondContact NE2-OD1 2.9Å; H333-N338 WeakPolarHBondContact O-CB 3.49Å; H333-N338 PolarHBondContact O-N 3.06Å; N338-K342 WeakPolarHBondContact O-CG 3.47Å
339	Q	64.8	Low	68.5	Low	118 Å²	118	75.2 Å²	75.2	55%	0.551	42%	0.422	S	S	*	.	H	α-helix	trans	-73.2	-40.5	177.2	-61.9	-176.1	12.7	0	0	110.9	G335 L337 V341 K342 T343	G335-Q339 PolarHBondContact O-NE2 3.22Å; G335-Q339 PolarHBondContact O-OE1 3.48Å; L337-Q339 VanDerWaalsContact C-N 3.27Å; L337-Q339 PolarHBondContact O-N 2.87Å; Q339-V341 PolarHBondContact O-N 3.1Å; Q339-K342 PolarHBondContact O-N 3.2Å; Q339-K342 VanDerWaalsContact O-N 3.17Å; Q339-T343 PolarHBondContact O-N 2.93Å; Q339-T343 PolarHBondContact O-OG1 3.36Å
340	T	58.4	Low	66.3	Low	14 Å²	14	78 Å²	78	9%	0.086	45%	0.446	C	S	.	.	H	α-helix	trans	-65.8	-37.7	179.1	-49.9	0	0	0	0	112.7	M272 Y336 L337 K342 T343 N344 E351	M272-T340 HydrophobicContact CE-CG2 3.39Å; Y336-T340 WeakPolarHBondContact O-CB 3.38Å; Y336-T340 PolarHBondContact O-N 3.41Å; Y336-T340 PolarHBondContact O-OG1 2.92Å; L337-T340 PolarHBondContact O-N 3.38Å; T340-K342 PolarHBondContact O-N 3.33Å; T340-T343 PolarHBondContact O-N 3.32Å; T340-T343 PolarHBondContact O-OG1 3.25Å; T340-T343 VanDerWaalsContact O-OG1 3.11Å; T340-N344 WeakPolarHBondContact O-CB 3.48Å; T340-N344 PolarHBondContact O-N 2.7Å; T340-E351 VanDerWaalsContact CG2-C 3.44Å; T340-E351 HydrophobicContact CG2-CB 3.78Å
341	V	56.8	Low	64.6	Low	112 Å²	112	80.2 Å²	80.2	68%	0.679	45%	0.452	S	S	*	.	H	α-helix	trans	-63.6	-31.7	175.2	174.8	0	0	0	0	111.6	L337 Q339	L337-V341 WeakPolarHBondContact O-CG2 3.47Å; L337-V341 PolarHBondContact O-N 2.87Å; L337-V341 VanDerWaalsContact O-N 3.11Å; Q339-V341 PolarHBondContact O-N 3.1Å
342	K	48.1	Very low	63.5	Low	170 Å²	170	77.1 Å²	77.1	74%	0.739	44%	0.44	S	S	*	.	H	α-helix	trans	-76.3	-26.7	178.7	-70.5	177.1	-179.7	-174.5	0	113.6	N338 Q339 T340	N338-K342 WeakPolarHBondContact O-CG 3.47Å; Q339-K342 PolarHBondContact O-N 3.2Å; Q339-K342 VanDerWaalsContact O-N 3.17Å; T340-K342 PolarHBondContact O-N 3.33Å
343	T	49.3	Very low	63.1	Low	81 Å²	81	79.4 Å²	79.4	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-90.2	-15.6	-179.5	51.9	0	0	0	0	113.8	Q339 T340 T345	Q339-T343 PolarHBondContact O-N 2.93Å; Q339-T343 PolarHBondContact O-OG1 3.36Å; T340-T343 PolarHBondContact O-N 3.32Å; T340-T343 PolarHBondContact O-OG1 3.25Å; T340-T343 VanDerWaalsContact O-OG1 3.11Å; T343-T345 PolarHBondContact O-N 3.25Å
344	N	47.8	Very low	63.1	Low	61 Å²	61	78.1 Å²	78.1	33%	0.326	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	23	-171.9	-108.6	-24.9	0	0	0	116.2	T340 S346 E351	T340-N344 WeakPolarHBondContact O-CB 3.48Å; T340-N344 PolarHBondContact O-N 2.7Å; N344-S346 PolarHBondContact O-N 3.04Å; N344-E351 PolarHBondContact ND2-O 3.29Å; N344-E351 WeakPolarHBondContact OD1-CB 3.35Å
345	T	46.6	Very low	63.1	Low	140 Å²	140	76.2 Å²	76.2	86%	0.859	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	3.7	169.7	44.8	0	0	0	0	113.4	T343	T343-T345 PolarHBondContact O-N 3.25Å
346	S	38.2	Very low	63.2	Low	76 Å²	76	75.4 Å²	75.4	53%	0.531	43%	0.426	S	S	.	.	S	Bend	trans	-133	104.6	176.4	63.2	0	0	0	0	113.7	N344 K348	N344-S346 PolarHBondContact O-N 3.04Å; S346-K348 PolarHBondContact O-N 3.28Å
347	S	37.9	Very low	63	Low	124 Å²	124	79.2 Å²	79.2	87%	0.867	44%	0.44	S	S	*	.	S	Bend	trans	20.1	47.8	150.9	70.2	0	0	0	0	122.1
348	K	42.7	Very low	62	Low	147 Å²	147	88.3 Å²	88.3	64%	0.639	48%	0.479	S	S	*	.			trans	-130.2	120.4	163.3	-76.7	-175	-178	173.1	0	112.5	S346 A350	S346-K348 PolarHBondContact O-N 3.28Å; K348-A350 VanDerWaalsContact C-N 3.27Å; K348-A350 PolarHBondContact O-N 3.32Å
349	P	42.3	Very low	60.9	Low	130 Å²	130	86.9 Å²	86.9	84%	0.844	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	19.4	-166.8	30.9	-35.1	0	0	0	116.2
350	A	50.4	Low	59.7	Low	60 Å²	60	93.4 Å²	93.4	50%	0.496	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-1.1	-174.6	0	0	0	0	0	115	K348 G352	K348-A350 VanDerWaalsContact C-N 3.27Å; K348-A350 PolarHBondContact O-N 3.32Å; A350-G352 PolarHBondContact O-N 3.11Å
351	E	59.8	Low	58.7	Low	66 Å²	66	99.4 Å²	99.4	31%	0.308	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	111.1	178	-76.1	-175.5	-162	0	0	109.2	M272 T340 N344	M272-E351 HydrophobicContact CE-CB 3.94Å; M272-E351 HydrophobicContact CE-CG 4.11Å; M272-E351 HydrophobicContact SD-CG 4.34Å; T340-E351 VanDerWaalsContact CG2-C 3.44Å; T340-E351 HydrophobicContact CG2-CB 3.78Å; N344-E351 PolarHBondContact ND2-O 3.29Å; N344-E351 WeakPolarHBondContact OD1-CB 3.35Å
352	G	73.6	Confident	57.5	Low	16 Å²	16	102.9 Å²	102.9	17%	0.165	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.1	8.6	171.6	0	0	0	0	0	116.2	W271 A350	W271-G352 WeakPolarHBondContact CZ3-O 3.46Å; A350-G352 PolarHBondContact O-N 3.11Å
353	Q	85.9	Confident	56.7	Low	47 Å²	47	102.1 Å²	102.1	22%	0.22	55%	0.545	C	S	.	.	B	Isolated β-bridge	trans	-117.3	153.7	-179.3	-67.1	-179.4	-20.8	0	0	112.6
354	F	92.3	Very high	56.1	Low	3 Å²	3	104.6 Å²	104.6	1%	0.013	55%	0.554	C	S	.	*			trans	-79.9	125.8	164.5	-75.9	-2.2	0	0	0	109.2	W246 T269 M270 W271 L276 L278 G296 V298 V309 F332	W246-F354 HydrophobicContact CZ2-CB 4.4Å; W246-F354 HydrophobicContact CZ2-CD2 4.04Å; T269-F354 HydrophobicContact CG2-CB 4.14Å; T269-F354 HydrophobicContact CG2-CD1 4.06Å; T269-F354 HydrophobicContact CG2-CD2 3.81Å; T269-F354 HydrophobicContact CG2-CE1 4.48Å; T269-F354 HydrophobicContact CG2-CE2 4.26Å; T269-F354 HydrophobicContact CG2-CG 3.73Å; T269-F354 WeakPolarHBondContact OG1-CB 3.29Å; M270-F354 WeakPolarHBondContact O-CA 3.49Å; W271-F354 HydrophobicContact CD2-CD1 4.49Å; W271-F354 HydrophobicContact CD2-CE1 4.25Å; W271-F354 AromaticContact CE3-CD1 3.59Å; W271-F354 HydrophobicContact CE3-CD1 3.59Å; W271-F354 AromaticContact CE3-CE1 3.62Å; W271-F354 HydrophobicContact CE3-CE1 3.62Å; W271-F354 HydrophobicContact CZ3-CD1 4.16Å; W271-F354 HydrophobicContact CZ3-CE1 4.13Å; L276-F354 HydrophobicContact CD1-CE1 4.02Å; L276-F354 HydrophobicContact CD1-CZ 4.21Å; L276-F354 HydrophobicContact CD2-CE1 4.31Å; L276-F354 HydrophobicContact CD2-CE2 4.4Å; L276-F354 HydrophobicContact CD2-CZ 3.96Å; L278-F354 HydrophobicContact CD2-CD2 4.3Å; L278-F354 HydrophobicContact CD2-CE2 3.61Å; L278-F354 HydrophobicContact CD2-CZ 4.28Å; G296-F354 WeakPolarHBondContact CA-O 3.34Å; G296-F354 PolarHBondContact O-N 3.46Å; V298-F354 HydrophobicContact CG1-CE2 4.46Å; V298-F354 HydrophobicContact CG1-CZ 4.37Å; V298-F354 HydrophobicContact CG2-CB 4.05Å; V298-F354 HydrophobicContact CG2-CD1 3.63Å; V298-F354 HydrophobicContact CG2-CD2 3.69Å; V298-F354 HydrophobicContact CG2-CE1 3.89Å; V298-F354 HydrophobicContact CG2-CE2 3.94Å; V298-F354 HydrophobicContact CG2-CG 3.51Å; V298-F354 HydrophobicContact CG2-CZ 4.03Å; V309-F354 HydrophobicContact CB-CD2 4.34Å; V309-F354 HydrophobicContact CG1-CB 4.25Å; V309-F354 HydrophobicContact CG1-CD2 3.8Å; V309-F354 HydrophobicContact CG1-CG 4.44Å; V309-F354 HydrophobicContact CG2-CD2 3.56Å; V309-F354 HydrophobicContact CG2-CE2 3.59Å; F332-F354 HydrophobicContact CE1-CE1 4.06Å; F332-F354 HydrophobicContact CE1-CZ 4.15Å; F332-F354 AromaticContact CZ-CE1 3.93Å; F332-F354 HydrophobicContact CZ-CE1 3.93Å; F332-F354 HydrophobicContact CZ-CZ 4.31Å
355	V	92.6	Very high	55.6	Low	57 Å²	57	110.5 Å²	110.5	35%	0.345	58%	0.58	S	S	.	*	B	Isolated β-bridge	trans	-111.4	132.7	-173.7	-169.9	0	0	0	0	109.8	T269 M270	T269-V355 PolarHBondContact OG1-O 3.17Å; M270-V355 HydrophobicContact CB-CB 4.14Å; M270-V355 WeakPolarHBondContact CB-O 3.45Å; M270-V355 PolarHBondContact N-O 3.49Å; M270-V355 PolarHBondContact O-N 3.35Å
356	S	91.6	Very high	54.9	Low	10 Å²	10	108.8 Å²	108.8	7%	0.07	57%	0.569	C	S	.	*			trans	-64	137.9	169.8	-60.9	0	0	0	0	110.1	N245 W246 E247 K358	N245-S356 WeakPolarHBondContact CA-OG 3.39Å; W246-S356 PolarHBondContact N-OG 2.65Å; E247-S356 WeakPolarHBondContact OE2-CB 3.07Å; E247-S356 PolarHBondContact OE2-OG 2.86Å; S356-K358 PolarHBondContact O-N 3.21Å
357	R	83.4	Confident	54.5	Low	148 Å²	148	110.5 Å²	110.5	56%	0.558	57%	0.573	S	S	*	*			trans	-70.1	105.9	174.8	-174.4	177	178.6	-168.1	0.7	108.9	W243 G359	W243-R357 HydrophobicContact CD2-CB 3.91Å; W243-R357 VanDerWaalsContact CE2-CD 3.46Å; W243-R357 HydrophobicContact CE3-CB 3.72Å; W243-R357 HydrophobicContact CG-CB 4.33Å; W243-R357 HydrophobicContact CZ3-CB 4.11Å; W243-R357 VanDerWaalsContact NE1-NH1 3.18Å; R357-G359 PolarHBondContact O-N 3.26Å
358	K	63.6	Low	54.4	Low	205 Å²	205	108.9 Å²	108.9	89%	0.891	56%	0.558	S	S	*	*			trans	-64.4	96.1	165.7	-66.8	-173	179.9	-176.2	0	108.3	S356	S356-K358 PolarHBondContact O-N 3.21Å
359	G	53	Low	54.2	Low	39 Å²	39	109 Å²	109	40%	0.402	55%	0.554	S	S	.	*			trans	-106.7	133.3	176.5	0	0	0	0	0	110.2	R357 T361	R357-G359 PolarHBondContact O-N 3.26Å; G359-T361 PolarHBondContact O-N 2.93Å; G359-T361 PolarHBondContact O-OG1 3.5Å
360	R	40.1	Very low	53.9	Low	255 Å²	255	113.6 Å²	113.6	96%	0.962	56%	0.555	S	S	*	*			trans	-44.4	108	166.4	-73.2	174.7	177.3	167.9	-2.6	109.8
361	T	36.2	Very low	52.9	Low	140 Å²	140	113.7 Å²	113.7	86%	0.859	56%	0.561	S	S	*	*			trans	-96.9	23.6	-167	-15.8	0	0	0	0	114.9	G359	G359-T361 PolarHBondContact O-N 2.93Å; G359-T361 PolarHBondContact O-OG1 3.5Å
362	E	32.6	Very low	51.5	Low	186 Å²	186	117.2 Å²	117.2	87%	0.869	58%	0.578	S	S	*	*	S	Bend	trans	-116.6	-11.2	-171.2	-75.8	-174.4	160.6	0	0	118.1
363	E	31.5	Very low	49.6	Very low	153 Å²	153	125.6 Å²	125.6	72%	0.715	61%	0.61	S	S	*	*	S	Bend	trans	-108.4	-1.5	-171.3	-84	-176.8	149.6	0	0	117.4
364	L	36.3	Very low	47	Very low	133 Å²	133	133.3 Å²	133.3	70%	0.696	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-9.5	-170.5	-82.5	157.8	0	0	0	115.7
365	Q	36.7	Very low	44.8	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-17.4	-179	-72.4	-168.2	-6.8	0	0	114.4
366	T	32.5	Very low	42.2	Very low	104 Å²	104	144.2 Å²	144.2	64%	0.638	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-24.7	-173.8	49.1	0	0	0	0	114.6
367	N	30.5	Very low	39.5	Very low	112 Å²	112	151.7 Å²	151.7	60%	0.599	74%	0.738	S	S	*	*	S	Bend	trans	-96	-10.1	-168.6	-78.6	-23.1	0	0	0	116.4
368	T	35.4	Very low	36.9	Very low	90 Å²	90	151.9 Å²	151.9	55%	0.552	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-13.2	-177.7	38.7	0	0	0	0	114.8
369	W	38.4	Very low	35.2	Very low	150 Å²	150	148.6 Å²	148.6	57%	0.568	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-13.2	177	-83.8	93.5	0	0	0	114.8	F233	F233-W369 HydrophobicContact CD1-CH2 4.23Å; F233-W369 AromaticContact CD1-CZ2 3.43Å; F233-W369 HydrophobicContact CD1-CZ2 3.43Å; F233-W369 VanDerWaalsContact CD1-CZ2 3.43Å; F233-W369 HydrophobicContact CE1-CH2 4.1Å; F233-W369 AromaticContact CE1-CZ2 3.54Å; F233-W369 HydrophobicContact CE1-CZ2 3.54Å; F233-W369 HydrophobicContact CG-CZ2 4.26Å; F233-W369 HydrophobicContact CZ-CZ2 4.48Å
370	R	34.5	Very low	34.1	Very low	226 Å²	226	155.9 Å²	155.9	85%	0.853	76%	0.762	S	S	*	*	S	Bend	trans	-94.8	-5.9	178.6	-72.4	-171.8	-174.6	-139	2.3	114.5
371	G	30.1	Very low	33.6	Very low	62 Å²	62	148.8 Å²	148.8	64%	0.639	75%	0.747	S	S	*	*			trans	-109.5	17.9	-163.7	0	0	0	0	0	117.9
372	Q	31.7	Very low	33.4	Very low	140 Å²	140	149.5 Å²	149.5	65%	0.654	74%	0.739	S	S	*	*			trans	-120	43	172.8	-74.3	-170.4	-50	0	0	112.4
373	K	32.1	Very low	33.5	Very low	193 Å²	193	146.4 Å²	146.4	84%	0.839	73%	0.728	S	S	*	*			trans	-92	95.8	153.2	-75.3	-176	176.7	-176.9	0	106.9
374	N	32.3	Very low	33.7	Very low	209 Å²	209	145.8 Å²	145.8	100%	1.118	73%	0.729	S	S	*	*			trans	-177.9	0	149.2	-88.1	-5.4	0	0	0	110.6	R121	R121-N374 PolarHBondContact NH1-O 3.34Å

Retrieved 374 of 374 residues in 158.5 ms (Link to these results)

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