A0A087Y5B8_POEFO Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A087Y5B8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 552 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	43.2	Very low	192 Å²	192	127.5 Å²	127.5	95%	0.946	66%	0.663	S	S	*	*				0	121	0	-70	-168.4	177	0	0	109.5	K3 Q200	M1-K3 PolarHBondContact O-N 3.05Å; M1-Q200 WeakPolarHBondContact CE-O 3.37Å
2	P	28.8	Very low	43.5	Very low	123 Å²	123	133.4 Å²	133.4	80%	0.799	67%	0.67	S	S	*	*			trans	-59.5	126.2	152.8	-4.9	21.4	0	0	0	106.4	E4	P2-E4 PolarHBondContact O-N 3.09Å
3	K	34.9	Very low	44.6	Very low	210 Å²	210	132.2 Å²	132.2	91%	0.913	65%	0.653	S	S	*	*			trans	-69.4	87.7	168.8	-75.4	179.4	178	177.3	0	106.7	M1 K5	M1-K3 PolarHBondContact O-N 3.05Å; K3-K5 PolarHBondContact O-N 2.96Å
4	E	39.1	Very low	45.1	Very low	150 Å²	150	131.9 Å²	131.9	70%	0.701	67%	0.668	S	S	*	*			trans	-57.8	111.8	157.7	-78.6	-169.5	161.3	0	0	106.4	P2 Y6 R100	P2-E4 PolarHBondContact O-N 3.09Å; E4-Y6 VanDerWaalsContact C-N 3.28Å; E4-Y6 PolarHBondContact O-N 2.86Å; E4-R100 IonicContact OE2-NH2 2.89Å
5	K	35.3	Very low	45.8	Very low	180 Å²	180	135.5 Å²	135.5	78%	0.783	67%	0.673	S	S	*	*			trans	-70	92.4	178.6	-136	-176.8	-178.7	-169.3	0	106	K3 D7	K3-K5 PolarHBondContact O-N 2.96Å; K5-D7 PolarHBondContact O-N 3.23Å; K5-D7 VanDerWaalsContact O-N 3.11Å
6	Y	45.3	Very low	46.8	Very low	58 Å²	58	135.3 Å²	135.3	23%	0.227	68%	0.681	C	S	.	*			trans	-69.6	103.4	168.2	177.9	-105.8	0	0	0	106.9	E4 P8 V77 R100 E101	E4-Y6 VanDerWaalsContact C-N 3.28Å; E4-Y6 PolarHBondContact O-N 2.86Å; Y6-P8 HydrophobicContact CE1-CB 4.49Å; Y6-V77 HydrophobicContact CE2-CG1 3.83Å; Y6-R100 VanDerWaalsContact CD2-CD 3.44Å; Y6-R100 HydrophobicContact CE1-CB 4.38Å; Y6-R100 HydrophobicContact CE2-CB 4.41Å; Y6-E101 HydrophobicContact CE1-CG 4.28Å; Y6-E101 WeakPolarHBondContact CE1-OE1 3.19Å; Y6-E101 PolarHBondContact OH-OE1 3.23Å
7	D	48.5	Very low	48.2	Very low	122 Å²	122	135.2 Å²	135.2	65%	0.652	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-81.8	119.1	168.8	-72.7	-35.5	0	0	0	107.3	K5	K5-D7 PolarHBondContact O-N 3.23Å; K5-D7 VanDerWaalsContact O-N 3.11Å
8	P	53.1	Low	49.8	Very low	82 Å²	82	130.8 Å²	130.8	53%	0.532	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-60.5	149.1	177	25.4	-32.9	0	0	0	109.8	Y6 D10	Y6-P8 HydrophobicContact CE1-CB 4.49Å; P8-D10 PolarHBondContact O-N 2.95Å
9	P	55.6	Low	51.6	Low	58 Å²	58	126.6 Å²	126.6	38%	0.377	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-55.7	127.7	-179.7	18.7	-28.3	0	0	0	111.4	Y78	P9-Y78 HydrophobicContact CG-CD2 4.19Å; P9-Y78 HydrophobicContact CG-CE2 4.49Å
10	D	49	Very low	53.2	Low	96 Å²	96	124.8 Å²	124.8	51%	0.513	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-55.7	131.2	-176.4	-174.6	-21.1	0	0	0	111.4	P8 R12	P8-D10 PolarHBondContact O-N 2.95Å; D10-R12 PolarHBondContact O-N 3.45Å; D10-R12 PolarHBondContact OD1-N 2.88Å
11	P	49.2	Very low	54.7	Low	131 Å²	131	126 Å²	126	85%	0.851	65%	0.65	S	S	*	*	S	Bend	trans	-62.4	-7	175.3	24	-33.6	0	0	0	115
12	R	46.8	Very low	57	Low	199 Å²	199	119.7 Å²	119.7	75%	0.751	62%	0.619	S	S	*	*	S	Bend	trans	-114.7	85.7	171	-68.8	177.8	-69.6	176.1	-2	110.2	D10 C14	D10-R12 PolarHBondContact O-N 3.45Å; D10-R12 PolarHBondContact OD1-N 2.88Å; R12-C14 PolarHBondContact O-N 2.69Å
13	R	58.2	Low	59.5	Low	117 Å²	117	116.5 Å²	116.5	44%	0.442	60%	0.602	S	S	.	*			trans	-59	100.6	173.9	-69.9	-173.1	-178.8	144.6	-0.3	111.2	Y15 E33 E35 H57	R13-Y15 PolarHBondContact O-N 3.35Å; R13-E33 IonicContact CZ-OE2 3.49Å; R13-E33 IonicContact NE-OE2 3.83Å; R13-E33 PolarHBondContact NE-OE2 2.96Å; R13-E35 IonicContact CZ-OE2 2.7Å; R13-E35 IonicContact NH1-OE2 2.65Å; R13-E35 PolarHBondContact NH1-OE2 3.07Å; R13-H57 PolarHBondContact NH2-CD2 2.83Å; R13-H57 PolarHBondContact NH2-CE1 2.89Å; R13-H57 PolarHBondContact NH2-ND1 2.67Å; R13-H57 VanDerWaalsContact NH2-ND1 3.14Å; R13-H57 PolarHBondContact NH2-NE2 3.35Å
14	C	51.4	Low	61.9	Low	129 Å²	129	110.5 Å²	110.5	87%	0.872	59%	0.592	S	S	*	*			trans	-80.2	108.4	165.3	-90.5	0	0	0	0	108.6	R12	R12-C14 PolarHBondContact O-N 2.69Å
15	Y	56.2	Low	64.3	Low	186 Å²	186	110 Å²	110	73%	0.729	59%	0.594	S	S	*	*			trans	-100.2	133.2	167.6	59.8	-90.1	0	0	0	109.7	R13 I17	R13-Y15 PolarHBondContact O-N 3.35Å; Y15-I17 HydrophobicContact CD2-CD1 4.44Å; Y15-I17 HydrophobicContact CD2-CG1 3.77Å; Y15-I17 HydrophobicContact CE2-CD1 3.9Å; Y15-I17 HydrophobicContact CE2-CG1 3.75Å
16	T	60.6	Low	66.8	Low	132 Å²	132	104.2 Å²	104.2	81%	0.81	59%	0.585	S	S	*	*			trans	-95.4	111.8	170.4	-51	0	0	0	0	107.8	M18	T16-M18 PolarHBondContact O-N 2.83Å
17	I	71.8	Confident	68.5	Low	134 Å²	134	107 Å²	107	69%	0.687	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-71	126.8	170.8	-58.7	177.8	0	0	0	107.4	Y15 S19	Y15-I17 HydrophobicContact CD2-CD1 4.44Å; Y15-I17 HydrophobicContact CD2-CG1 3.77Å; Y15-I17 HydrophobicContact CE2-CD1 3.9Å; Y15-I17 HydrophobicContact CE2-CG1 3.75Å; I17-S19 PolarHBondContact O-N 3.48Å
18	M	77.1	Confident	69.9	Low	55 Å²	55	110.5 Å²	110.5	27%	0.271	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-62.7	133	174.4	-174.8	-177.4	-57.4	0	0	110.8	T16 E22 A23 K27 K28 S29	T16-M18 PolarHBondContact O-N 2.83Å; M18-E22 WeakPolarHBondContact CA-OE2 3.42Å; M18-E22 HydrophobicContact CG-CB 3.67Å; M18-E22 HydrophobicContact SD-CB 4.46Å; M18-A23 HydrophobicContact SD-CB 3.87Å; M18-K27 HydrophobicContact CE-CB 4.36Å; M18-K27 HydrophobicContact CE-CD 4.48Å; M18-K27 HydrophobicContact CE-CG 4.15Å; M18-K27 HydrophobicContact SD-CB 4.27Å; M18-K28 VanDerWaalsContact CE-C 3.48Å; M18-S29 VanDerWaalsContact CE-CA 3.43Å; M18-S29 VanDerWaalsContact CE-N 3.27Å
19	S	82.9	Confident	70.8	Confident	52 Å²	52	110.9 Å²	110.9	36%	0.364	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-76.1	158.1	175.4	85.9	0	0	0	0	111.6	I17 E21 E22 A23	I17-S19 PolarHBondContact O-N 3.48Å; S19-E21 PolarHBondContact O-N 2.98Å; S19-E21 PolarHBondContact OG-N 3.05Å; S19-E22 PolarHBondContact N-OE2 3.43Å; S19-E22 PolarHBondContact O-N 3Å; S19-E22 WeakPolarHBondContact OG-CG 3.47Å; S19-E22 PolarHBondContact OG-N 3.47Å; S19-A23 PolarHBondContact O-N 3.36Å; S19-A23 VanDerWaalsContact O-N 3.09Å
20	A	83.1	Confident	71.8	Confident	89 Å²	89	115.4 Å²	115.4	74%	0.736	63%	0.629	S	S	*	*	H	α-helix	trans	-60	-29.7	175.9	0	0	0	0	0	112.6	A24	A20-A24 WeakPolarHBondContact O-CB 3.26Å; A20-A24 PolarHBondContact O-N 3.25Å
21	E	85.8	Confident	73.5	Confident	151 Å²	151	116.2 Å²	116.2	71%	0.706	62%	0.624	S	S	*	*	H	α-helix	trans	-74.8	-38.6	179.8	-149.7	169.4	-159	0	0	111.5	S19 A24 N25	S19-E21 PolarHBondContact O-N 2.98Å; S19-E21 PolarHBondContact OG-N 3.05Å; E21-A24 PolarHBondContact O-N 3.03Å; E21-N25 WeakPolarHBondContact O-CB 3.44Å; E21-N25 PolarHBondContact O-N 2.94Å; E21-N25 PolarHBondContact O-ND2 3.01Å
22	E	83.7	Confident	75.4	Confident	60 Å²	60	112.7 Å²	112.7	28%	0.28	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-41.7	172.3	-71.5	179.6	125.4	0	0	111.9	M18 S19 N25 G26 K27	M18-E22 WeakPolarHBondContact CA-OE2 3.42Å; M18-E22 HydrophobicContact CG-CB 3.67Å; M18-E22 HydrophobicContact SD-CB 4.46Å; S19-E22 PolarHBondContact N-OE2 3.43Å; S19-E22 PolarHBondContact O-N 3Å; S19-E22 WeakPolarHBondContact OG-CG 3.47Å; S19-E22 PolarHBondContact OG-N 3.47Å; E22-N25 PolarHBondContact O-N 3.47Å; E22-G26 PolarHBondContact O-N 3.27Å; E22-K27 HydrophobicContact CB-CB 4.26Å; E22-K27 HydrophobicContact CB-CD 3.9Å; E22-K27 HydrophobicContact CG-CD 4.17Å; E22-K27 WeakPolarHBondContact O-CB 3.49Å; E22-K27 PolarHBondContact O-N 3.38Å; E22-K27 VanDerWaalsContact O-N 3.09Å; E22-K27 IonicContact OE1-NZ 2.62Å; E22-K27 PolarHBondContact OE1-NZ 2.94Å
23	A	82.3	Confident	77.6	Confident	55 Å²	55	106.6 Å²	106.6	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-64.4	-42.2	175.3	0	0	0	0	0	111.7	M18 S19 N25 G26	M18-A23 HydrophobicContact SD-CB 3.87Å; S19-A23 PolarHBondContact O-N 3.36Å; S19-A23 VanDerWaalsContact O-N 3.09Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3Å; A23-G26 PolarHBondContact O-N 3.18Å
24	A	85.9	Confident	79.3	Confident	84 Å²	84	103.1 Å²	103.1	69%	0.694	57%	0.569	S	S	*	*	H	α-helix	trans	-63.5	-31.3	176.7	0	0	0	0	0	112.8	A20 E21 G26	A20-A24 WeakPolarHBondContact O-CB 3.26Å; A20-A24 PolarHBondContact O-N 3.25Å; E21-A24 PolarHBondContact O-N 3.03Å; A24-G26 PolarHBondContact O-N 2.99Å
25	N	89.6	Confident	81.3	Confident	140 Å²	140	101.6 Å²	101.6	75%	0.749	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	10.3	174.6	-72.2	-28.5	0	0	0	113.9	E21 E22 A23	E21-N25 WeakPolarHBondContact O-CB 3.44Å; E21-N25 PolarHBondContact O-N 2.94Å; E21-N25 PolarHBondContact O-ND2 3.01Å; E22-N25 PolarHBondContact O-N 3.47Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3Å
26	G	86.7	Confident	83.2	Confident	58 Å²	58	94.5 Å²	94.5	60%	0.598	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	10.7	173.5	0	0	0	0	0	115.2	E22 A23 A24 K28	E22-G26 PolarHBondContact O-N 3.27Å; A23-G26 PolarHBondContact O-N 3.18Å; A24-G26 PolarHBondContact O-N 2.99Å; G26-K28 PolarHBondContact O-N 3.44Å
27	K	82.1	Confident	84.6	Confident	118 Å²	118	92.2 Å²	92.2	51%	0.513	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-65	127.6	172.9	-162.6	176.8	-176.7	174.1	0	109	M18 E22	M18-K27 HydrophobicContact CE-CB 4.36Å; M18-K27 HydrophobicContact CE-CD 4.48Å; M18-K27 HydrophobicContact CE-CG 4.15Å; M18-K27 HydrophobicContact SD-CB 4.27Å; E22-K27 HydrophobicContact CB-CB 4.26Å; E22-K27 HydrophobicContact CB-CD 3.9Å; E22-K27 HydrophobicContact CG-CD 4.17Å; E22-K27 WeakPolarHBondContact O-CB 3.49Å; E22-K27 PolarHBondContact O-N 3.38Å; E22-K27 VanDerWaalsContact O-N 3.09Å; E22-K27 IonicContact OE1-NZ 2.62Å; E22-K27 PolarHBondContact OE1-NZ 2.94Å
28	K	77.1	Confident	85.6	Confident	195 Å²	195	88.9 Å²	88.9	85%	0.848	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-94.1	137.7	176.3	-66.9	-175.4	-179.1	179.1	0	110.1	M18 G26	M18-K28 VanDerWaalsContact CE-C 3.48Å; G26-K28 PolarHBondContact O-N 3.44Å
29	S	71.9	Confident	86.4	Confident	89 Å²	89	95.8 Å²	95.8	62%	0.622	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-70.6	133.9	174.5	59.5	0	0	0	0	108.9	M18	M18-S29 VanDerWaalsContact CE-CA 3.43Å; M18-S29 VanDerWaalsContact CE-N 3.27Å
30	H	76.1	Confident	87	Confident	154 Å²	154	95 Å²	95	71%	0.713	52%	0.523	S	S	*	.			trans	-120.6	122.1	174.2	-174.1	-81	0	0	0	107.7
31	W	85.6	Confident	87.6	Confident	112 Å²	112	100.1 Å²	100.1	42%	0.424	52%	0.523	S	S	.	.			trans	-128.9	133.8	173.3	54.3	-82.8	0	0	0	107	L34 L50 H52 L53	W31-L34 HydrophobicContact CZ3-CB 4.33Å; W31-L50 HydrophobicContact CH2-CD1 3.76Å; W31-L50 HydrophobicContact CH2-CD2 4.04Å; W31-L50 HydrophobicContact CH2-CG 4.42Å; W31-L50 HydrophobicContact CZ3-CD1 4.2Å; W31-H52 AromaticContact CD2-NE2 3.91Å; W31-H52 AromaticContact CE2-NE2 3.75Å; W31-H52 AromaticContact CE3-NE2 3.79Å; W31-H52 AromaticContact CH2-CE1 3.95Å; W31-H52 AromaticContact CH2-NE2 3.42Å; W31-H52 WeakPolarHBondContact CH2-NE2 3.31Å; W31-H52 AromaticContact CZ2-CE1 3.99Å; W31-H52 AromaticContact CZ2-NE2 3.52Å; W31-H52 AromaticContact CZ3-NE2 3.57Å; W31-H52 PolarHBondContact O-CD2 2.8Å; W31-L53 HydrophobicContact CE3-CD2 3.88Å; W31-L53 HydrophobicContact CZ3-CD2 3.65Å; W31-L53 HydrophobicContact CZ3-CG 4.43Å
32	N	89.6	Confident	88	Confident	58 Å²	58	97.5 Å²	97.5	31%	0.31	52%	0.522	S	S	.	.			trans	-122.1	-2.9	-178	60.2	-31.7	0	0	0	111.5	L53 T54 A55	N32-L53 CarbonylContact O-C 3.31Å; N32-L53 WeakPolarHBondContact O-CA 3.43Å; N32-L53 WeakPolarHBondContact O-CD2 3.35Å; N32-T54 HydrophobicContact CB-CG2 4.22Å; N32-T54 WeakPolarHBondContact CB-OG1 3.11Å; N32-T54 PolarHBondContact ND2-OG1 3.09Å; N32-T54 PolarHBondContact O-N 2.97Å; N32-T54 PolarHBondContact O-OG1 2.79Å; N32-A55 PolarHBondContact O-N 3.35Å; N32-A55 VanDerWaalsContact O-N 3.09Å
33	E	92.1	Very high	88.5	Confident	71 Å²	71	96.4 Å²	96.4	33%	0.332	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.1	178.6	-49.5	-167.3	-179.5	0	0	109.8	R13 A55	R13-E33 IonicContact CZ-OE2 3.49Å; R13-E33 IonicContact NE-OE2 3.83Å; R13-E33 PolarHBondContact NE-OE2 2.96Å; E33-A55 WeakPolarHBondContact CA-O 3.2Å; E33-A55 HydrophobicContact CB-CB 4.18Å; E33-A55 HydrophobicContact CG-CB 3.82Å
34	L	93.7	Very high	89	Confident	44 Å²	44	97.3 Å²	97.3	23%	0.23	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.8	173.5	180	62.8	0	0	0	110.1	W31 I36 L47 L50 L53 A55 L56 H57	W31-L34 HydrophobicContact CZ3-CB 4.33Å; L34-I36 HydrophobicContact CD2-CD1 4.14Å; L34-I36 HydrophobicContact CD2-CG1 4.33Å; L34-I36 HydrophobicContact CG-CD1 4.46Å; L34-I36 HydrophobicContact CG-CG1 4.13Å; L34-L47 HydrophobicContact CD2-CD1 3.42Å; L34-L47 VanDerWaalsContact CD2-CD1 3.42Å; L34-L50 HydrophobicContact CD2-CD1 4.02Å; L34-L53 HydrophobicContact CB-CD1 4.05Å; L34-L53 HydrophobicContact CB-CD2 3.86Å; L34-L53 HydrophobicContact CD2-CD1 4.18Å; L34-A55 PolarHBondContact N-O 3.09Å; L34-L56 HydrophobicContact CB-CD1 4.08Å; L34-L56 HydrophobicContact CD2-CD1 4.23Å; L34-L56 HydrophobicContact CG-CD1 4.28Å; L34-H57 PolarHBondContact O-N 2.81Å
35	E	94.2	Very high	89.4	Confident	97 Å²	97	97.5 Å²	97.5	45%	0.453	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.7	173.1	-179.2	171.5	-175.9	0	0	110.6	R13 T37 H57	R13-E35 IonicContact CZ-OE2 2.7Å; R13-E35 IonicContact NH1-OE2 2.65Å; R13-E35 PolarHBondContact NH1-OE2 3.07Å; E35-T37 HydrophobicContact CG-CG2 3.89Å; E35-T37 WeakPolarHBondContact OE1-CG2 3.47Å; E35-H57 CarbonylContact C-O 3.35Å; E35-H57 WeakPolarHBondContact CA-O 3.26Å; E35-H57 HydrophobicContact CB-CB 4.04Å; E35-H57 HydrophobicContact CG-CB 4Å
36	I	94.6	Very high	89.7	Confident	36 Å²	36	94.2 Å²	94.2	19%	0.185	51%	0.505	C	S	.	.			trans	-124.2	113.5	179.3	-58.7	177.9	0	0	0	107.5	L34 V40 L43 L47 H57 I58 N61	L34-I36 HydrophobicContact CD2-CD1 4.14Å; L34-I36 HydrophobicContact CD2-CG1 4.33Å; L34-I36 HydrophobicContact CG-CD1 4.46Å; L34-I36 HydrophobicContact CG-CG1 4.13Å; I36-V40 HydrophobicContact CG2-CB 4.43Å; I36-V40 HydrophobicContact CG2-CG2 3.78Å; I36-L43 HydrophobicContact CD1-CD2 3.96Å; I36-L43 HydrophobicContact CG2-CD2 4.35Å; I36-L47 HydrophobicContact CD1-CD1 4.38Å; I36-L47 HydrophobicContact CD1-CD2 3.91Å; I36-H57 PolarHBondContact N-O 2.88Å; I36-I58 HydrophobicContact CB-CG1 4.43Å; I36-I58 HydrophobicContact CB-CG2 4.25Å; I36-I58 HydrophobicContact CD1-CG1 4.45Å; I36-I58 HydrophobicContact CG2-CG2 4.47Å; I36-N61 PolarHBondContact O-ND2 2.91Å
37	T	91.8	Very high	90.1	Very high	85 Å²	85	92 Å²	92	52%	0.521	48%	0.48	S	S	.	.			trans	-128.7	170.3	177.6	60.6	0	0	0	0	110.7	E35	E35-T37 HydrophobicContact CG-CG2 3.89Å; E35-T37 WeakPolarHBondContact OE1-CG2 3.47Å
38	G	91.4	Very high	90.7	Very high	63 Å²	63	86.9 Å²	86.9	65%	0.649	46%	0.457	S	S	*	.	S	Bend	trans	108.9	37.4	175.2	0	0	0	0	0	115.1	V40	G38-V40 VanDerWaalsContact C-N 3.28Å; G38-V40 PolarHBondContact O-N 3.32Å
39	R	93.5	Very high	91.6	Very high	201 Å²	201	82.4 Å²	82.4	76%	0.758	45%	0.446	S	S	*	.	S	Bend	trans	64.9	28.9	173.4	-60.8	179.4	-179.8	173.6	1.1	113.7	N61 N62	R39-N61 PolarHBondContact N-OD1 3.07Å; R39-N62 WeakPolarHBondContact CB-ND2 3.31Å; R39-N62 PolarHBondContact O-ND2 3.06Å
40	V	96.1	Very high	92.7	Very high	35 Å²	35	80 Å²	80	21%	0.212	43%	0.426	C	S	.	.			trans	-57	136.5	-176.8	178.8	0	0	0	0	111.1	I36 G38 S42 L43 N61 N62 L63	I36-V40 HydrophobicContact CG2-CB 4.43Å; I36-V40 HydrophobicContact CG2-CG2 3.78Å; G38-V40 VanDerWaalsContact C-N 3.28Å; G38-V40 PolarHBondContact O-N 3.32Å; V40-S42 WeakPolarHBondContact CG1-O 3.33Å; V40-L43 HydrophobicContact CG1-CD2 4.07Å; V40-N61 HydrophobicContact CB-CB 4.32Å; V40-N61 WeakPolarHBondContact CB-OD1 3.43Å; V40-N61 WeakPolarHBondContact CG2-OD1 3.45Å; V40-N61 PolarHBondContact N-OD1 2.89Å; V40-N62 CarbonylContact O-C 3.58Å; V40-N62 VanDerWaalsContact O-C 3.31Å; V40-N62 WeakPolarHBondContact O-CA 3.43Å; V40-N62 PolarHBondContact O-N 3.19Å; V40-L63 HydrophobicContact CG1-CD2 4.26Å; V40-L63 PolarHBondContact O-N 3.35Å
41	R	96.1	Very high	93.5	Very high	196 Å²	196	76 Å²	76	74%	0.74	41%	0.413	S	S	*	.			trans	-109.3	-19.3	179.5	-64.2	-178.1	-174.8	-165.3	2.5	113.5	N62	R41-N62 HydrophobicContact CG-CB 3.79Å
42	S	93.4	Very high	93.8	Very high	97 Å²	97	74.1 Å²	74.1	68%	0.678	41%	0.408	S	S	*	.			trans	-148	142.3	-177	54.6	0	0	0	0	110	V40	V40-S42 WeakPolarHBondContact CG1-O 3.33Å
43	L	94	Very high	94.1	Very high	37 Å²	37	71.3 Å²	71.3	19%	0.194	39%	0.394	C	S	.	.			trans	-104.4	141.8	175.5	-59.4	170.1	0	0	0	109.1	I36 V40 L47 W48 I58 L63 I66	I36-L43 HydrophobicContact CD1-CD2 3.96Å; I36-L43 HydrophobicContact CG2-CD2 4.35Å; V40-L43 HydrophobicContact CG1-CD2 4.07Å; L43-L47 HydrophobicContact CB-CD2 4.1Å; L43-L47 HydrophobicContact CD1-CD2 3.96Å; L43-L47 HydrophobicContact CD2-CD2 4.15Å; L43-L47 HydrophobicContact CG-CD2 4.29Å; L43-W48 HydrophobicContact CB-CH2 4.44Å; L43-W48 HydrophobicContact CB-CZ2 3.95Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 3.85Å; L43-I58 HydrophobicContact CD1-CD1 3.89Å; L43-I58 HydrophobicContact CD2-CG2 4.22Å; L43-L63 HydrophobicContact CD1-CD1 3.89Å; L43-L63 HydrophobicContact CD1-CD2 4.49Å; L43-L63 HydrophobicContact CD2-CD2 4.48Å; L43-L63 HydrophobicContact CG-CD1 4.27Å; L43-L63 HydrophobicContact CG-CD2 4.07Å; L43-I66 HydrophobicContact CD1-CD1 4.04Å
44	S	94.2	Very high	94.3	Very high	74 Å²	74	70 Å²	70	52%	0.517	39%	0.391	S	S	.	.			trans	-68	145.2	174	-179.8	0	0	0	0	110.5	S46 L47	S44-S46 PolarHBondContact O-N 2.93Å; S44-S46 PolarHBondContact OG-N 3.5Å; S44-L47 VanDerWaalsContact O-CB 3.28Å; S44-L47 WeakPolarHBondContact O-CB 3.17Å; S44-L47 PolarHBondContact O-N 2.95Å; S44-L47 VanDerWaalsContact O-N 3.1Å
45	S	93.1	Very high	94.4	Very high	87 Å²	87	68.1 Å²	68.1	61%	0.608	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-62.6	-24.6	174.8	53.7	0	0	0	0	112.9	L47 W48	S45-L47 PolarHBondContact O-N 2.87Å; S45-W48 VanDerWaalsContact O-CD1 3.27Å; S45-W48 PolarHBondContact O-N 2.86Å; S45-W48 VanDerWaalsContact O-N 3.15Å
46	S	95.8	Very high	94.6	Very high	72 Å²	72	63.5 Å²	63.5	50%	0.503	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-63.8	-17.9	174.6	-49.5	0	0	0	0	113.6	S44 W48 T49	S44-S46 PolarHBondContact O-N 2.93Å; S44-S46 PolarHBondContact OG-N 3.5Å; S46-W48 PolarHBondContact O-N 3Å; S46-T49 PolarHBondContact O-N 3.05Å; S46-T49 PolarHBondContact O-OG1 2.97Å
47	L	95.9	Very high	94.7	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.063	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61.9	-37.7	173.4	175.8	55.1	0	0	0	111.1	L34 I36 L43 S44 S45 T49 L50 L53 L56 I58	L34-L47 HydrophobicContact CD2-CD1 3.42Å; L34-L47 VanDerWaalsContact CD2-CD1 3.42Å; I36-L47 HydrophobicContact CD1-CD1 4.38Å; I36-L47 HydrophobicContact CD1-CD2 3.91Å; L43-L47 HydrophobicContact CB-CD2 4.1Å; L43-L47 HydrophobicContact CD1-CD2 3.96Å; L43-L47 HydrophobicContact CD2-CD2 4.15Å; L43-L47 HydrophobicContact CG-CD2 4.29Å; S44-L47 VanDerWaalsContact O-CB 3.28Å; S44-L47 WeakPolarHBondContact O-CB 3.17Å; S44-L47 PolarHBondContact O-N 2.95Å; S44-L47 VanDerWaalsContact O-N 3.1Å; S45-L47 PolarHBondContact O-N 2.87Å; L47-T49 PolarHBondContact O-N 2.97Å; L47-L50 HydrophobicContact CD1-CD1 3.97Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 WeakPolarHBondContact O-CG 3.34Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-L53 HydrophobicContact CD1-CD1 4.33Å; L47-L56 HydrophobicContact CD1-CD1 4.25Å; L47-I58 HydrophobicContact CD2-CD1 4.42Å
48	W	95.2	Very high	94.9	Very high	10 Å²	10	58.4 Å²	58.4	4%	0.038	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-77.4	-4.8	-174.5	-41.4	126.9	0	0	0	113.4	L43 S45 S46 L56 P67 D69 I70 K72 L73	L43-W48 HydrophobicContact CB-CH2 4.44Å; L43-W48 HydrophobicContact CB-CZ2 3.95Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 3.85Å; S45-W48 VanDerWaalsContact O-CD1 3.27Å; S45-W48 PolarHBondContact O-N 2.86Å; S45-W48 VanDerWaalsContact O-N 3.15Å; S46-W48 PolarHBondContact O-N 3Å; W48-L56 HydrophobicContact CZ3-CD2 4.41Å; W48-P67 HydrophobicContact CH2-CG 4.31Å; W48-P67 HydrophobicContact CZ2-CG 3.37Å; W48-D69 HydrophobicContact CB-CB 3.91Å; W48-D69 HydrophobicContact CD2-CB 4.15Å; W48-D69 HydrophobicContact CG-CB 3.51Å; W48-I70 HydrophobicContact CE3-CB 4.34Å; W48-I70 HydrophobicContact CE3-CG1 4.47Å; W48-I70 HydrophobicContact CH2-CB 4.46Å; W48-I70 HydrophobicContact CZ3-CB 4.01Å; W48-I70 HydrophobicContact CZ3-CD1 4.36Å; W48-I70 HydrophobicContact CZ3-CG1 3.91Å; W48-K72 HydrophobicContact CB-CB 4.48Å; W48-K72 WeakPolarHBondContact O-CB 3.46Å; W48-L73 HydrophobicContact CE3-CD1 4.06Å; W48-L73 HydrophobicContact CE3-CG 4.48Å; W48-L73 HydrophobicContact CZ3-CD1 4.29Å
49	T	95.1	Very high	95.1	Very high	100 Å²	100	56.7 Å²	56.7	61%	0.613	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-91.5	-3.8	173.1	66.9	0	0	0	0	112.4	S46 L47 T51	S46-T49 PolarHBondContact O-N 3.05Å; S46-T49 PolarHBondContact O-OG1 2.97Å; L47-T49 PolarHBondContact O-N 2.97Å; T49-T51 PolarHBondContact O-N 2.84Å
50	L	94.8	Very high	95.3	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.209	29%	0.293	C	S	.	.			trans	-84.6	61	-178.5	-56.1	178.2	0	0	0	111.4	W31 L34 L47 H52 L53 L73	W31-L50 HydrophobicContact CH2-CD1 3.76Å; W31-L50 HydrophobicContact CH2-CD2 4.04Å; W31-L50 HydrophobicContact CH2-CG 4.42Å; W31-L50 HydrophobicContact CZ3-CD1 4.2Å; L34-L50 HydrophobicContact CD2-CD1 4.02Å; L47-L50 HydrophobicContact CD1-CD1 3.97Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 WeakPolarHBondContact O-CG 3.34Å; L47-L50 PolarHBondContact O-N 2.87Å; L50-H52 PolarHBondContact O-N 3.44Å; L50-L53 HydrophobicContact CB-CD1 3.74Å; L50-L53 HydrophobicContact CB-CG 3.93Å; L50-L53 HydrophobicContact CD1-CD1 4.06Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 WeakPolarHBondContact O-CG 3.4Å; L50-L53 PolarHBondContact O-N 2.82Å; L50-L73 WeakPolarHBondContact O-CD2 3.48Å
51	T	94.3	Very high	95.4	Very high	70 Å²	70	50.4 Å²	50.4	43%	0.429	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.8	-173.1	58	0	0	0	0	114.9	T49 L53 N75	T49-T51 PolarHBondContact O-N 2.84Å; T51-L53 VanDerWaalsContact C-N 3.3Å; T51-N75 PolarHBondContact O-ND2 2.56Å
52	H	91.9	Very high	95.4	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.329	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.9	176.5	59.9	-90.2	0	0	0	113.6	W31 L50 T54	W31-H52 AromaticContact CD2-NE2 3.91Å; W31-H52 AromaticContact CE2-NE2 3.75Å; W31-H52 AromaticContact CE3-NE2 3.79Å; W31-H52 AromaticContact CH2-CE1 3.95Å; W31-H52 AromaticContact CH2-NE2 3.42Å; W31-H52 WeakPolarHBondContact CH2-NE2 3.31Å; W31-H52 AromaticContact CZ2-CE1 3.99Å; W31-H52 AromaticContact CZ2-NE2 3.52Å; W31-H52 AromaticContact CZ3-NE2 3.57Å; W31-H52 PolarHBondContact O-CD2 2.8Å; L50-H52 PolarHBondContact O-N 3.44Å; H52-T54 PolarHBondContact O-N 3.25Å
53	L	95.4	Very high	95.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.226	C	C	.	.			trans	-67.4	130.7	179.5	-73.3	179.3	0	0	0	111.8	W31 N32 L34 L47 L50 T51 L56 N75 L76	W31-L53 HydrophobicContact CE3-CD2 3.88Å; W31-L53 HydrophobicContact CZ3-CD2 3.65Å; W31-L53 HydrophobicContact CZ3-CG 4.43Å; N32-L53 CarbonylContact O-C 3.31Å; N32-L53 WeakPolarHBondContact O-CA 3.43Å; N32-L53 WeakPolarHBondContact O-CD2 3.35Å; L34-L53 HydrophobicContact CB-CD1 4.05Å; L34-L53 HydrophobicContact CB-CD2 3.86Å; L34-L53 HydrophobicContact CD2-CD1 4.18Å; L47-L53 HydrophobicContact CD1-CD1 4.33Å; L50-L53 HydrophobicContact CB-CD1 3.74Å; L50-L53 HydrophobicContact CB-CG 3.93Å; L50-L53 HydrophobicContact CD1-CD1 4.06Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 WeakPolarHBondContact O-CG 3.4Å; L50-L53 PolarHBondContact O-N 2.82Å; T51-L53 VanDerWaalsContact C-N 3.3Å; L53-L56 HydrophobicContact CD1-CD1 4.5Å; L53-N75 CarbonylContact O-C 3.54Å; L53-L76 HydrophobicContact CB-CD1 4.18Å; L53-L76 PolarHBondContact O-N 2.79Å
54	T	95.9	Very high	95.8	Very high	44 Å²	44	40.2 Å²	40.2	27%	0.27	24%	0.241	S	C	.	.	S	Bend	trans	-107.4	-23.2	171.9	62	0	0	0	0	112.3	N32 H52 N75 V77 Y78	N32-T54 HydrophobicContact CB-CG2 4.22Å; N32-T54 WeakPolarHBondContact CB-OG1 3.11Å; N32-T54 PolarHBondContact ND2-OG1 3.09Å; N32-T54 PolarHBondContact O-N 2.97Å; N32-T54 PolarHBondContact O-OG1 2.79Å; H52-T54 PolarHBondContact O-N 3.25Å; T54-N75 WeakPolarHBondContact CA-O 3.46Å; T54-V77 PolarHBondContact O-N 2.62Å; T54-Y78 PolarHBondContact O-N 2.73Å; T54-Y78 VanDerWaalsContact O-N 3.08Å
55	A	96.3	Very high	95.9	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.9	174.2	0	0	0	0	0	112.4	N32 E33 L34 Y78	N32-A55 PolarHBondContact O-N 3.35Å; N32-A55 VanDerWaalsContact O-N 3.09Å; E33-A55 WeakPolarHBondContact CA-O 3.2Å; E33-A55 HydrophobicContact CB-CB 4.18Å; E33-A55 HydrophobicContact CG-CB 3.82Å; L34-A55 PolarHBondContact N-O 3.09Å; A55-Y78 WeakPolarHBondContact CA-O 3.32Å; A55-Y78 HydrophobicContact CB-CD1 4.27Å; A55-Y78 HydrophobicContact CB-CG 4.49Å
56	L	97.3	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	114.2	179.6	-177.4	56.8	0	0	0	110.4	L34 L47 W48 L53 I58 L73 L76 Y78 L79 N80	L34-L56 HydrophobicContact CB-CD1 4.08Å; L34-L56 HydrophobicContact CD2-CD1 4.23Å; L34-L56 HydrophobicContact CG-CD1 4.28Å; L47-L56 HydrophobicContact CD1-CD1 4.25Å; W48-L56 HydrophobicContact CZ3-CD2 4.41Å; L53-L56 HydrophobicContact CD1-CD1 4.5Å; L56-I58 HydrophobicContact CD1-CD1 3.82Å; L56-I58 HydrophobicContact CD1-CG1 3.8Å; L56-I58 HydrophobicContact CD2-CD1 3.64Å; L56-I58 HydrophobicContact CD2-CG1 4.44Å; L56-I58 HydrophobicContact CG-CD1 3.54Å; L56-I58 HydrophobicContact CG-CG1 3.78Å; L56-L73 HydrophobicContact CD2-CD1 3.83Å; L56-L76 HydrophobicContact CB-CD1 3.74Å; L56-L76 HydrophobicContact CB-CD2 4.06Å; L56-Y78 PolarHBondContact N-O 2.97Å; L56-L79 HydrophobicContact CB-CD1 4.15Å; L56-L79 HydrophobicContact CD2-CD1 4.2Å; L56-L79 HydrophobicContact CG-CD1 4.24Å; L56-N80 PolarHBondContact O-N 3.34Å
57	H	96.8	Very high	96.1	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.065	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.2	-178.2	-58.2	-99.1	0	0	0	109.3	R13 L34 E35 I36 Y78	R13-H57 PolarHBondContact NH2-CD2 2.83Å; R13-H57 PolarHBondContact NH2-CE1 2.89Å; R13-H57 PolarHBondContact NH2-ND1 2.67Å; R13-H57 VanDerWaalsContact NH2-ND1 3.14Å; R13-H57 PolarHBondContact NH2-NE2 3.35Å; L34-H57 PolarHBondContact O-N 2.81Å; E35-H57 CarbonylContact C-O 3.35Å; E35-H57 WeakPolarHBondContact CA-O 3.26Å; E35-H57 HydrophobicContact CB-CB 4.04Å; E35-H57 HydrophobicContact CG-CB 4Å; I36-H57 PolarHBondContact N-O 2.88Å; H57-Y78 AromaticContact CE1-CD1 3.53Å; H57-Y78 AromaticContact CE1-CE1 3.03Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.06Å; H57-Y78 AromaticContact CE1-CZ 3.68Å; H57-Y78 AromaticContact ND1-CE1 3.34Å; H57-Y78 VanDerWaalsContact ND1-CE1 3.34Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.18Å; H57-Y78 AromaticContact NE2-CD1 3.77Å; H57-Y78 AromaticContact NE2-CE1 3.74Å
58	I	96.4	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.			trans	-129.1	25.5	178.6	-42.4	161.9	0	0	0	110.1	I36 L43 L47 L56 N61 L63 N80 L81 N84	I36-I58 HydrophobicContact CB-CG1 4.43Å; I36-I58 HydrophobicContact CB-CG2 4.25Å; I36-I58 HydrophobicContact CD1-CG1 4.45Å; I36-I58 HydrophobicContact CG2-CG2 4.47Å; L43-I58 HydrophobicContact CD1-CD1 3.89Å; L43-I58 HydrophobicContact CD2-CG2 4.22Å; L47-I58 HydrophobicContact CD2-CD1 4.42Å; L56-I58 HydrophobicContact CD1-CD1 3.82Å; L56-I58 HydrophobicContact CD1-CG1 3.8Å; L56-I58 HydrophobicContact CD2-CD1 3.64Å; L56-I58 HydrophobicContact CD2-CG1 4.44Å; L56-I58 HydrophobicContact CG-CD1 3.54Å; L56-I58 HydrophobicContact CG-CG1 3.78Å; I58-N61 PolarHBondContact O-ND2 3.25Å; I58-N61 VanDerWaalsContact O-ND2 3.12Å; I58-L63 HydrophobicContact CG2-CD1 3.55Å; I58-N80 CarbonylContact C-O 3.56Å; I58-N80 PolarHBondContact N-O 2.65Å; I58-L81 HydrophobicContact CB-CD2 4.21Å; I58-L81 HydrophobicContact CD1-CD2 4.2Å; I58-N84 PolarHBondContact O-ND2 3.31Å
59	N	96.3	Very high	96.1	Very high	27 Å²	27	45 Å²	45	14%	0.144	24%	0.24	C	C	.	.			trans	-65.9	160	174.7	54.6	-78.1	0	0	0	112.4	N61 N80 S82	N59-N61 PolarHBondContact O-N 3.42Å; N59-N61 PolarHBondContact O-ND2 3.44Å; N59-N61 VanDerWaalsContact O-ND2 3.07Å; N59-N80 PolarHBondContact N-O 3.3Å; N59-N80 PolarHBondContact OD1-ND2 2.73Å; N59-S82 CarbonylContact C-O 3.48Å; N59-S82 WeakPolarHBondContact CA-O 3.41Å; N59-S82 WeakPolarHBondContact CB-O 3.4Å
60	D	96.9	Very high	96.2	Very high	96 Å²	96	40.2 Å²	40.2	51%	0.513	21%	0.211	S	C	.	.	S	Bend	trans	59.9	42.8	174.8	-55.7	-64.3	0	0	0	114	S82 S83	D60-S82 PolarHBondContact N-O 2.8Å; D60-S83 WeakPolarHBondContact CA-O 3.4Å; D60-S83 PolarHBondContact N-O 3.19Å; D60-S83 WeakPolarHBondContact OD1-CB 3.46Å; D60-S83 PolarHBondContact OD1-OG 3.06Å
61	N	97.6	Very high	96.1	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-119.6	-172.5	175.9	-75.7	-66.9	0	0	0	111.8	I36 R39 V40 I58 N59 L63 S83 N84	I36-N61 PolarHBondContact O-ND2 2.91Å; R39-N61 PolarHBondContact N-OD1 3.07Å; V40-N61 HydrophobicContact CB-CB 4.32Å; V40-N61 WeakPolarHBondContact CB-OD1 3.43Å; V40-N61 WeakPolarHBondContact CG2-OD1 3.45Å; V40-N61 PolarHBondContact N-OD1 2.89Å; I58-N61 PolarHBondContact O-ND2 3.25Å; I58-N61 VanDerWaalsContact O-ND2 3.12Å; N59-N61 PolarHBondContact O-N 3.42Å; N59-N61 PolarHBondContact O-ND2 3.44Å; N59-N61 VanDerWaalsContact O-ND2 3.07Å; N61-L63 HydrophobicContact CB-CG 4.31Å; N61-S83 PolarHBondContact N-O 2.96Å; N61-N84 WeakPolarHBondContact CA-OD1 3.42Å; N61-N84 WeakPolarHBondContact CB-OD1 3.28Å; N61-N84 PolarHBondContact O-OD1 3.37Å
62	N	97.8	Very high	96.2	Very high	33 Å²	33	42.1 Å²	42.1	18%	0.176	22%	0.217	C	C	.	.			trans	-112.8	29	179.6	-74.4	-56	0	0	0	111.9	R39 V40 R41 T64 K85	R39-N62 WeakPolarHBondContact CB-ND2 3.31Å; R39-N62 PolarHBondContact O-ND2 3.06Å; V40-N62 CarbonylContact O-C 3.58Å; V40-N62 VanDerWaalsContact O-C 3.31Å; V40-N62 WeakPolarHBondContact O-CA 3.43Å; V40-N62 PolarHBondContact O-N 3.19Å; R41-N62 HydrophobicContact CG-CB 3.79Å; N62-T64 PolarHBondContact O-N 2.94Å; N62-K85 VanDerWaalsContact OD1-CE 3.29Å; N62-K85 WeakPolarHBondContact OD1-CE 3.35Å; N62-K85 PolarHBondContact OD1-NZ 3.14Å
63	L	97.9	Very high	96.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.201	C	C	.	.			trans	-67.2	131	-179.9	-59.7	178.8	0	0	0	110	V40 L43 I58 N61 I66 N84 K85 L86	V40-L63 HydrophobicContact CG1-CD2 4.26Å; V40-L63 PolarHBondContact O-N 3.35Å; L43-L63 HydrophobicContact CD1-CD1 3.89Å; L43-L63 HydrophobicContact CD1-CD2 4.49Å; L43-L63 HydrophobicContact CD2-CD2 4.48Å; L43-L63 HydrophobicContact CG-CD1 4.27Å; L43-L63 HydrophobicContact CG-CD2 4.07Å; I58-L63 HydrophobicContact CG2-CD1 3.55Å; N61-L63 HydrophobicContact CB-CG 4.31Å; L63-I66 HydrophobicContact CD1-CD1 3.77Å; L63-N84 HydrophobicContact CB-CB 4.36Å; L63-N84 VanDerWaalsContact CB-OD1 3.31Å; L63-N84 WeakPolarHBondContact CB-OD1 3.24Å; L63-N84 WeakPolarHBondContact CG-OD1 3.2Å; L63-N84 PolarHBondContact N-OD1 3.17Å; L63-K85 CarbonylContact O-C 3.57Å; L63-K85 VanDerWaalsContact O-CA 3.26Å; L63-K85 WeakPolarHBondContact O-CA 3.21Å; L63-K85 WeakPolarHBondContact O-CB 3.37Å; L63-K85 PolarHBondContact O-N 2.9Å; L63-L86 HydrophobicContact CB-CD2 4.12Å; L63-L86 PolarHBondContact O-N 3.35Å
64	T	97.6	Very high	96.1	Very high	81 Å²	81	42 Å²	42	50%	0.497	22%	0.222	S	C	.	.	S	Bend	trans	-100	-17.9	177.1	52.9	0	0	0	0	112.7	N62 K85	N62-T64 PolarHBondContact O-N 2.94Å; T64-K85 HydrophobicContact CG2-CB 4.22Å
65	R	96	Very high	96	Very high	192 Å²	192	44 Å²	44	73%	0.725	23%	0.231	S	C	*	.			trans	-152.5	158.5	177.7	65.4	-177.6	-174.3	-172	2.9	110.5
66	I	96.4	Very high	96	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.056	23%	0.23	C	C	.	.			trans	-115.7	132.3	164.5	-67.9	-61.7	0	0	0	107.3	L43 L63 I70 L81 L86 P90	L43-I66 HydrophobicContact CD1-CD1 4.04Å; L63-I66 HydrophobicContact CD1-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CB 3.76Å; I66-I70 HydrophobicContact CG2-CD1 3.6Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 HydrophobicContact CG2-CG2 3.74Å; I66-L81 HydrophobicContact CD1-CD2 3.73Å; I66-L81 HydrophobicContact CG1-CD1 3.97Å; I66-L81 HydrophobicContact CG1-CD2 4.05Å; I66-L86 HydrophobicContact CG1-CD1 4.2Å; I66-L86 HydrophobicContact CG1-CD2 4.01Å; I66-P90 HydrophobicContact CG2-CG 4.3Å
67	P	95.6	Very high	96.1	Very high	36 Å²	36	45.7 Å²	45.7	23%	0.234	24%	0.241	C	C	.	.			trans	-72.3	154.8	178.7	31.3	-35	0	0	0	111.5	W48 D69 I70	W48-P67 HydrophobicContact CH2-CG 4.31Å; W48-P67 HydrophobicContact CZ2-CG 3.37Å; P67-D69 HydrophobicContact CB-CB 4.49Å; P67-D69 HydrophobicContact CG-CB 4.46Å; P67-D69 PolarHBondContact O-N 3.32Å; P67-D69 VanDerWaalsContact O-N 3.09Å; P67-I70 WeakPolarHBondContact O-CG2 3.46Å; P67-I70 PolarHBondContact O-N 3.47Å; P67-I70 VanDerWaalsContact O-N 3.16Å
68	P	96.2	Very high	96.1	Very high	61 Å²	61	46.2 Å²	46.2	40%	0.396	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-48.5	-31.6	169.8	-34.4	40.7	0	0	0	114.8	I70 A71 P90 E92	P68-I70 PolarHBondContact O-N 3.39Å; P68-A71 WeakPolarHBondContact O-CB 3.46Å; P68-A71 PolarHBondContact O-N 3.29Å; P68-A71 VanDerWaalsContact O-N 3.07Å; P68-P90 HydrophobicContact CG-CB 4.27Å; P68-E92 HydrophobicContact CB-CB 4.38Å; P68-E92 VanDerWaalsContact CB-CD 3.46Å; P68-E92 HydrophobicContact CB-CG 3.95Å
69	D	96.4	Very high	96.2	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57	-14.9	179.6	-61.5	-78	0	0	0	114.4	W48 P67 A71 K72	W48-D69 HydrophobicContact CB-CB 3.91Å; W48-D69 HydrophobicContact CD2-CB 4.15Å; W48-D69 HydrophobicContact CG-CB 3.51Å; P67-D69 HydrophobicContact CB-CB 4.49Å; P67-D69 HydrophobicContact CG-CB 4.46Å; P67-D69 PolarHBondContact O-N 3.32Å; P67-D69 VanDerWaalsContact O-N 3.09Å; D69-A71 PolarHBondContact O-N 3.49Å; D69-K72 HydrophobicContact CB-CD 4.23Å; D69-K72 VanDerWaalsContact O-CB 3.23Å; D69-K72 WeakPolarHBondContact O-CB 3.15Å; D69-K72 WeakPolarHBondContact O-CG 3.39Å; D69-K72 PolarHBondContact O-N 3.42Å; D69-K72 VanDerWaalsContact OD1-CE 3.29Å; D69-K72 WeakPolarHBondContact OD1-CE 3.34Å; D69-K72 IonicContact OD1-NZ 3.36Å; D69-K72 PolarHBondContact OD1-NZ 3.08Å
70	I	95.6	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-55.8	-30.5	172.4	-166.3	163.7	0	0	0	112.6	W48 I66 P67 P68 K72 L73 L79 P90 L93 M96	W48-I70 HydrophobicContact CE3-CB 4.34Å; W48-I70 HydrophobicContact CE3-CG1 4.47Å; W48-I70 HydrophobicContact CH2-CB 4.46Å; W48-I70 HydrophobicContact CZ3-CB 4.01Å; W48-I70 HydrophobicContact CZ3-CD1 4.36Å; W48-I70 HydrophobicContact CZ3-CG1 3.91Å; I66-I70 HydrophobicContact CG2-CB 3.76Å; I66-I70 HydrophobicContact CG2-CD1 3.6Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 HydrophobicContact CG2-CG2 3.74Å; P67-I70 WeakPolarHBondContact O-CG2 3.46Å; P67-I70 PolarHBondContact O-N 3.47Å; P67-I70 VanDerWaalsContact O-N 3.16Å; P68-I70 PolarHBondContact O-N 3.39Å; I70-K72 PolarHBondContact O-N 3.28Å; I70-K72 VanDerWaalsContact O-N 3.16Å; I70-L73 WeakPolarHBondContact O-CB 3.34Å; I70-L73 PolarHBondContact O-N 2.97Å; I70-L79 HydrophobicContact CD1-CD1 4.08Å; I70-L79 HydrophobicContact CD1-CD2 3.54Å; I70-L79 HydrophobicContact CD1-CG 4.48Å; I70-L79 HydrophobicContact CG1-CD2 4.48Å; I70-P90 HydrophobicContact CG2-CG 4.17Å; I70-L93 HydrophobicContact CG2-CD1 4.41Å; I70-M96 HydrophobicContact CG1-CE 4.31Å; I70-M96 HydrophobicContact CG1-SD 4.04Å; I70-M96 HydrophobicContact CG2-SD 4.19Å
71	A	94.3	Very high	96.4	Very high	29 Å²	29	41.1 Å²	41.1	24%	0.24	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66.9	-12	176.9	0	0	0	0	0	113.7	P68 D69 L73 E92 M96	P68-A71 WeakPolarHBondContact O-CB 3.46Å; P68-A71 PolarHBondContact O-N 3.29Å; P68-A71 VanDerWaalsContact O-N 3.07Å; D69-A71 PolarHBondContact O-N 3.49Å; A71-L73 PolarHBondContact O-N 2.69Å; A71-E92 HydrophobicContact CB-CB 3.81Å; A71-E92 WeakPolarHBondContact CB-O 3.29Å; A71-M96 HydrophobicContact CB-CG 4.26Å
72	K	95.1	Very high	96.4	Very high	121 Å²	121	41.3 Å²	41.3	53%	0.526	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-76.1	3.9	173.3	-61.4	176	174.2	170.2	0	113.2	W48 D69 I70 P74	W48-K72 HydrophobicContact CB-CB 4.48Å; W48-K72 WeakPolarHBondContact O-CB 3.46Å; D69-K72 HydrophobicContact CB-CD 4.23Å; D69-K72 VanDerWaalsContact O-CB 3.23Å; D69-K72 WeakPolarHBondContact O-CB 3.15Å; D69-K72 WeakPolarHBondContact O-CG 3.39Å; D69-K72 PolarHBondContact O-N 3.42Å; D69-K72 VanDerWaalsContact OD1-CE 3.29Å; D69-K72 WeakPolarHBondContact OD1-CE 3.34Å; D69-K72 IonicContact OD1-NZ 3.36Å; D69-K72 PolarHBondContact OD1-NZ 3.08Å; I70-K72 PolarHBondContact O-N 3.28Å; I70-K72 VanDerWaalsContact O-N 3.16Å; K72-P74 WeakPolarHBondContact O-CD 3.49Å
73	L	95.5	Very high	96.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.			trans	-103	75	173.2	-57.1	-179	0	0	0	109.8	W48 L50 L56 I70 A71 N75 L76 M96	W48-L73 HydrophobicContact CE3-CD1 4.06Å; W48-L73 HydrophobicContact CE3-CG 4.48Å; W48-L73 HydrophobicContact CZ3-CD1 4.29Å; L50-L73 WeakPolarHBondContact O-CD2 3.48Å; L56-L73 HydrophobicContact CD2-CD1 3.83Å; I70-L73 WeakPolarHBondContact O-CB 3.34Å; I70-L73 PolarHBondContact O-N 2.97Å; A71-L73 PolarHBondContact O-N 2.69Å; L73-N75 PolarHBondContact O-N 3.29Å; L73-L76 HydrophobicContact CB-CB 4.3Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 PolarHBondContact O-N 3.25Å; L73-M96 HydrophobicContact CB-CE 4.37Å
74	P	90.7	Very high	96.4	Very high	69 Å²	69	42 Å²	42	45%	0.448	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.9	-168	30.1	-38.9	0	0	0	113.9	K72 S98	K72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-S98 PolarHBondContact O-OG 3.01Å
75	N	93.9	Very high	96.5	Very high	86 Å²	86	42.9 Å²	42.9	46%	0.46	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	5	-176.4	-63	-46.1	0	0	0	113.2	T51 L53 T54 L73 V77	T51-N75 PolarHBondContact O-ND2 2.56Å; L53-N75 CarbonylContact O-C 3.54Å; T54-N75 WeakPolarHBondContact CA-O 3.46Å; L73-N75 PolarHBondContact O-N 3.29Å; N75-V77 PolarHBondContact O-N 2.79Å
76	L	96.8	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.			trans	-72.4	120	-175	-157	74.4	0	0	0	110.8	L53 L56 L73 L79 M96 S98 L99	L53-L76 HydrophobicContact CB-CD1 4.18Å; L53-L76 PolarHBondContact O-N 2.79Å; L56-L76 HydrophobicContact CB-CD1 3.74Å; L56-L76 HydrophobicContact CB-CD2 4.06Å; L73-L76 HydrophobicContact CB-CB 4.3Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 PolarHBondContact O-N 3.25Å; L76-L79 HydrophobicContact CD2-CB 3.8Å; L76-L79 HydrophobicContact CD2-CD1 4.06Å; L76-L79 HydrophobicContact CD2-CD2 4.26Å; L76-L79 HydrophobicContact CD2-CG 4.25Å; L76-M96 HydrophobicContact CB-CE 3.72Å; L76-M96 HydrophobicContact CD2-CE 3.57Å; L76-M96 HydrophobicContact CG-CE 4.28Å; L76-S98 CarbonylContact O-C 3.57Å; L76-S98 PolarHBondContact O-OG 3.25Å; L76-L99 HydrophobicContact CB-CD2 4.37Å; L76-L99 HydrophobicContact CD2-CD2 4.25Å; L76-L99 HydrophobicContact CG-CD2 4.26Å; L76-L99 WeakPolarHBondContact O-CD2 3.44Å; L76-L99 PolarHBondContact O-N 3.11Å
77	V	97.4	Very high	96.6	Very high	38 Å²	38	40.4 Å²	40.4	23%	0.23	21%	0.211	C	C	.	.			trans	-101	-33.2	178.9	179.4	0	0	0	0	110.9	Y6 T54 N75 R100 E101	Y6-V77 HydrophobicContact CE2-CG1 3.83Å; T54-V77 PolarHBondContact O-N 2.62Å; N75-V77 PolarHBondContact O-N 2.79Å; V77-R100 HydrophobicContact CG1-CB 3.84Å; V77-R100 HydrophobicContact CG1-CG 3.82Å; V77-R100 PolarHBondContact O-N 2.88Å; V77-E101 PolarHBondContact O-N 3.08Å; V77-E101 VanDerWaalsContact O-N 3.08Å
78	Y	97.8	Very high	96.7	Very high	25 Å²	25	41.8 Å²	41.8	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.5	-178.6	-179.5	-79.2	0	0	0	110.9	P9 T54 A55 L56 H57 N80 E101 L103	P9-Y78 HydrophobicContact CG-CD2 4.19Å; P9-Y78 HydrophobicContact CG-CE2 4.49Å; T54-Y78 PolarHBondContact O-N 2.73Å; T54-Y78 VanDerWaalsContact O-N 3.08Å; A55-Y78 WeakPolarHBondContact CA-O 3.32Å; A55-Y78 HydrophobicContact CB-CD1 4.27Å; A55-Y78 HydrophobicContact CB-CG 4.49Å; L56-Y78 PolarHBondContact N-O 2.97Å; H57-Y78 AromaticContact CE1-CD1 3.53Å; H57-Y78 AromaticContact CE1-CE1 3.03Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.06Å; H57-Y78 AromaticContact CE1-CZ 3.68Å; H57-Y78 AromaticContact ND1-CE1 3.34Å; H57-Y78 VanDerWaalsContact ND1-CE1 3.34Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.18Å; H57-Y78 AromaticContact NE2-CD1 3.77Å; H57-Y78 AromaticContact NE2-CE1 3.74Å; Y78-N80 HydrophobicContact CD1-CB 4.49Å; Y78-N80 HydrophobicContact CE1-CB 3.47Å; Y78-N80 VanDerWaalsContact CE1-CB 3.47Å; Y78-N80 PolarHBondContact OH-ND2 3.04Å; Y78-E101 HydrophobicContact CD2-CB 3.62Å; Y78-E101 HydrophobicContact CD2-CG 4.16Å; Y78-E101 HydrophobicContact CE2-CB 4.13Å; Y78-E101 VanDerWaalsContact CE2-OE2 3.27Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.43Å; Y78-E101 HydrophobicContact CG-CB 4.42Å; Y78-L103 HydrophobicContact CE2-CD1 4.14Å; Y78-L103 VanDerWaalsContact OH-CD1 3.28Å; Y78-L103 WeakPolarHBondContact OH-CD1 3.37Å
79	L	98.4	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115	175.5	177.8	55.5	0	0	0	110.8	L56 I70 L76 L81 L93 L99 E101 L102 L103	L56-L79 HydrophobicContact CB-CD1 4.15Å; L56-L79 HydrophobicContact CD2-CD1 4.2Å; L56-L79 HydrophobicContact CG-CD1 4.24Å; I70-L79 HydrophobicContact CD1-CD1 4.08Å; I70-L79 HydrophobicContact CD1-CD2 3.54Å; I70-L79 HydrophobicContact CD1-CG 4.48Å; I70-L79 HydrophobicContact CG1-CD2 4.48Å; L76-L79 HydrophobicContact CD2-CB 3.8Å; L76-L79 HydrophobicContact CD2-CD1 4.06Å; L76-L79 HydrophobicContact CD2-CD2 4.26Å; L76-L79 HydrophobicContact CD2-CG 4.25Å; L79-L81 HydrophobicContact CD1-CD1 4.27Å; L79-L81 HydrophobicContact CD1-CD2 4.13Å; L79-L81 HydrophobicContact CD1-CG 3.89Å; L79-L81 HydrophobicContact CD2-CD1 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.48Å; L79-L81 HydrophobicContact CG-CD1 4.09Å; L79-L81 HydrophobicContact CG-CG 4.02Å; L79-L93 HydrophobicContact CD2-CD1 3.92Å; L79-L99 HydrophobicContact CB-CD2 3.81Å; L79-E101 PolarHBondContact N-O 3.45Å; L79-L102 HydrophobicContact CB-CD1 4.13Å; L79-L102 HydrophobicContact CD2-CD1 3.83Å; L79-L102 HydrophobicContact CG-CD1 3.98Å; L79-L102 WeakPolarHBondContact O-CA 3.18Å; L79-L103 PolarHBondContact O-N 2.89Å
80	N	98.3	Very high	96.8	Very high	16 Å²	16	37.7 Å²	37.7	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.2	174.4	-170	-2.8	0	0	0	111.9	L56 I58 N59 Y78 S82 L103	L56-N80 PolarHBondContact O-N 3.34Å; I58-N80 CarbonylContact C-O 3.56Å; I58-N80 PolarHBondContact N-O 2.65Å; N59-N80 PolarHBondContact N-O 3.3Å; N59-N80 PolarHBondContact OD1-ND2 2.73Å; Y78-N80 HydrophobicContact CD1-CB 4.49Å; Y78-N80 HydrophobicContact CE1-CB 3.47Å; Y78-N80 VanDerWaalsContact CE1-CB 3.47Å; Y78-N80 PolarHBondContact OH-ND2 3.04Å; N80-S82 WeakPolarHBondContact OD1-CB 3.41Å; N80-S82 PolarHBondContact OD1-N 3.42Å; N80-S82 PolarHBondContact OD1-OG 2.82Å; N80-L103 HydrophobicContact CB-CB 4.21Å; N80-L103 HydrophobicContact CB-CD1 4.29Å; N80-L103 WeakPolarHBondContact OD1-CB 3.49Å
81	L	98.2	Very high	96.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.21	C	C	.	.			trans	-117.5	15.3	177.2	-64.1	170.9	0	0	0	111.5	I58 I66 L79 N84 L86 L103 L104 N107	I58-L81 HydrophobicContact CB-CD2 4.21Å; I58-L81 HydrophobicContact CD1-CD2 4.2Å; I66-L81 HydrophobicContact CD1-CD2 3.73Å; I66-L81 HydrophobicContact CG1-CD1 3.97Å; I66-L81 HydrophobicContact CG1-CD2 4.05Å; L79-L81 HydrophobicContact CD1-CD1 4.27Å; L79-L81 HydrophobicContact CD1-CD2 4.13Å; L79-L81 HydrophobicContact CD1-CG 3.89Å; L79-L81 HydrophobicContact CD2-CD1 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.48Å; L79-L81 HydrophobicContact CG-CD1 4.09Å; L79-L81 HydrophobicContact CG-CG 4.02Å; L81-N84 PolarHBondContact O-ND2 3Å; L81-L86 HydrophobicContact CB-CD1 4.04Å; L81-L86 HydrophobicContact CD1-CD1 4.22Å; L81-L103 CarbonylContact C-O 3.4Å; L81-L103 WeakPolarHBondContact CA-O 3.42Å; L81-L103 PolarHBondContact N-O 3.45Å; L81-L104 HydrophobicContact CB-CD2 4.06Å; L81-L104 HydrophobicContact CD1-CD2 3.97Å; L81-N107 PolarHBondContact O-ND2 3.46Å
82	S	98.5	Very high	96.9	Very high	11 Å²	11	41.4 Å²	41.4	8%	0.077	22%	0.215	C	C	.	.			trans	-61.8	156	-177.4	-56.3	0	0	0	0	112.1	N59 D60 N80 N84 L103 N105	N59-S82 CarbonylContact C-O 3.48Å; N59-S82 WeakPolarHBondContact CA-O 3.41Å; N59-S82 WeakPolarHBondContact CB-O 3.4Å; D60-S82 PolarHBondContact N-O 2.8Å; N80-S82 WeakPolarHBondContact OD1-CB 3.41Å; N80-S82 PolarHBondContact OD1-N 3.42Å; N80-S82 PolarHBondContact OD1-OG 2.82Å; S82-N84 VanDerWaalsContact C-N 3.34Å; S82-N84 PolarHBondContact O-N 2.91Å; S82-N84 PolarHBondContact O-ND2 3.01Å; S82-L103 PolarHBondContact N-O 3.28Å; S82-L103 WeakPolarHBondContact OG-CB 3.46Å; S82-L103 PolarHBondContact OG-O 2.9Å; S82-N105 CarbonylContact C-O 3.6Å; S82-N105 WeakPolarHBondContact CA-O 3.42Å; S82-N105 WeakPolarHBondContact CB-O 3.4Å; S82-N105 PolarHBondContact OG-N 3.26Å; S82-N105 PolarHBondContact OG-ND2 3.29Å
83	S	98.2	Very high	96.9	Very high	38 Å²	38	35.7 Å²	35.7	27%	0.266	19%	0.19	S	C	.	.	S	Bend	trans	56.2	46.2	177.2	-53.8	0	0	0	0	113	D60 N61 N105 N106	D60-S83 WeakPolarHBondContact CA-O 3.4Å; D60-S83 PolarHBondContact N-O 3.19Å; D60-S83 WeakPolarHBondContact OD1-CB 3.46Å; D60-S83 PolarHBondContact OD1-OG 3.06Å; N61-S83 PolarHBondContact N-O 2.96Å; S83-N105 PolarHBondContact N-O 3.42Å; S83-N106 WeakPolarHBondContact CA-O 3.31Å
84	N	98.5	Very high	96.8	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.053	19%	0.19	C	C	.	.	S	Bend	trans	-115.4	-163.4	171.1	-85.4	-78.9	0	0	0	109.8	I58 N61 L63 L81 S82 L86 N107	I58-N84 PolarHBondContact O-ND2 3.31Å; N61-N84 WeakPolarHBondContact CA-OD1 3.42Å; N61-N84 WeakPolarHBondContact CB-OD1 3.28Å; N61-N84 PolarHBondContact O-OD1 3.37Å; L63-N84 HydrophobicContact CB-CB 4.36Å; L63-N84 VanDerWaalsContact CB-OD1 3.31Å; L63-N84 WeakPolarHBondContact CB-OD1 3.24Å; L63-N84 WeakPolarHBondContact CG-OD1 3.2Å; L63-N84 PolarHBondContact N-OD1 3.17Å; L81-N84 PolarHBondContact O-ND2 3Å; S82-N84 VanDerWaalsContact C-N 3.34Å; S82-N84 PolarHBondContact O-N 2.91Å; S82-N84 PolarHBondContact O-ND2 3.01Å; N84-L86 HydrophobicContact CB-CG 4.1Å; N84-N107 VanDerWaalsContact CA-OD1 3.28Å; N84-N107 WeakPolarHBondContact CA-OD1 3.28Å; N84-N107 WeakPolarHBondContact CB-OD1 3.5Å; N84-N107 PolarHBondContact N-OD1 3.1Å; N84-N107 PolarHBondContact O-OD1 3.06Å
85	K	98.1	Very high	96.9	Very high	101 Å²	101	34.8 Å²	34.8	44%	0.439	18%	0.182	S	C	.	.			trans	-120.2	29.7	178.7	-61.7	176.2	177.5	166.3	0	111.3	N62 L63 T64 R87 N107 L108	N62-K85 VanDerWaalsContact OD1-CE 3.29Å; N62-K85 WeakPolarHBondContact OD1-CE 3.35Å; N62-K85 PolarHBondContact OD1-NZ 3.14Å; L63-K85 CarbonylContact O-C 3.57Å; L63-K85 VanDerWaalsContact O-CA 3.26Å; L63-K85 WeakPolarHBondContact O-CA 3.21Å; L63-K85 WeakPolarHBondContact O-CB 3.37Å; L63-K85 PolarHBondContact O-N 2.9Å; T64-K85 HydrophobicContact CG2-CB 4.22Å; K85-R87 PolarHBondContact O-N 3.11Å; K85-N107 PolarHBondContact N-OD1 3.16Å; K85-L108 HydrophobicContact CB-CD1 4.4Å
86	L	98.4	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.			trans	-65.7	128.8	-177	-58	178.5	0	0	0	110.2	L63 I66 L81 N84 L89 N107 L108 L109	L63-L86 HydrophobicContact CB-CD2 4.12Å; L63-L86 PolarHBondContact O-N 3.35Å; I66-L86 HydrophobicContact CG1-CD1 4.2Å; I66-L86 HydrophobicContact CG1-CD2 4.01Å; L81-L86 HydrophobicContact CB-CD1 4.04Å; L81-L86 HydrophobicContact CD1-CD1 4.22Å; N84-L86 HydrophobicContact CB-CG 4.1Å; L86-L89 HydrophobicContact CD1-CD2 4.25Å; L86-N107 HydrophobicContact CB-CB 4.22Å; L86-N107 WeakPolarHBondContact CB-OD1 3.35Å; L86-N107 WeakPolarHBondContact CG-OD1 3.31Å; L86-N107 PolarHBondContact N-OD1 2.83Å; L86-L108 CarbonylContact O-C 3.52Å; L86-L108 WeakPolarHBondContact O-CA 3.32Å; L86-L108 WeakPolarHBondContact O-CB 3.45Å; L86-L108 PolarHBondContact O-N 2.75Å; L86-L109 HydrophobicContact CB-CD2 4.13Å; L86-L109 PolarHBondContact O-N 2.89Å
87	R	97.6	Very high	96.8	Very high	150 Å²	150	31.8 Å²	31.8	57%	0.566	17%	0.166	S	C	*	.	S	Bend	trans	-101.5	-23.4	177.2	-67.1	177.8	179.4	-90.8	1.6	113.2	K85 L108	K85-R87 PolarHBondContact O-N 3.11Å; R87-L108 HydrophobicContact CG-CB 4.07Å
88	S	96.5	Very high	96.6	Very high	66 Å²	66	31 Å²	31	46%	0.462	16%	0.162	S	C	.	.			trans	-148.6	165.4	177.5	58.8	0	0	0	0	109.6
89	L	98	Very high	96.5	Very high	15 Å²	15	29.8 Å²	29.8	8%	0.079	16%	0.158	C	C	.	.			trans	-114.8	147.9	171	-58.9	170.8	0	0	0	108.8	L86 L93 L104 L109 L112 P113 L116	L86-L89 HydrophobicContact CD1-CD2 4.25Å; L89-L93 HydrophobicContact CB-CD2 4.32Å; L89-L93 HydrophobicContact CD1-CD2 4.13Å; L89-L93 HydrophobicContact CD2-CD2 4.35Å; L89-L93 HydrophobicContact CG-CD2 4.49Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.3Å; L89-L104 HydrophobicContact CD2-CD2 3.8Å; L89-L109 HydrophobicContact CD1-CD1 4.18Å; L89-L109 HydrophobicContact CD2-CD1 4.47Å; L89-L109 HydrophobicContact CD2-CD2 4.2Å; L89-L109 HydrophobicContact CG-CD1 4.31Å; L89-L109 HydrophobicContact CG-CD2 3.96Å; L89-L112 HydrophobicContact CD1-CD2 3.91Å; L89-P113 HydrophobicContact CB-CG 3.92Å; L89-L116 HydrophobicContact CD1-CD1 4.12Å
90	P	96.9	Very high	96.5	Very high	15 Å²	15	32.3 Å²	32.3	10%	0.097	17%	0.167	C	C	.	.			trans	-66	145.4	169.5	28.5	-32.7	0	0	0	110.5	I66 P68 I70 E92 L93	I66-P90 HydrophobicContact CG2-CG 4.3Å; P68-P90 HydrophobicContact CG-CB 4.27Å; I70-P90 HydrophobicContact CG2-CG 4.17Å; P90-E92 WeakPolarHBondContact CB-OE2 3.35Å; P90-E92 PolarHBondContact O-N 2.88Å; P90-L93 HydrophobicContact CG-CB 4.49Å; P90-L93 WeakPolarHBondContact O-CB 3.33Å; P90-L93 PolarHBondContact O-N 2.84Å
91	A	95.5	Very high	96.5	Very high	34 Å²	34	32.6 Å²	32.6	28%	0.281	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-63.4	-32.8	177.2	0	0	0	0	0	111.5	L93 G94 E115	A91-L93 PolarHBondContact O-N 2.92Å; A91-G94 PolarHBondContact O-N 2.64Å; A91-E115 HydrophobicContact CB-CB 4.44Å; A91-E115 HydrophobicContact CB-CG 3.91Å; A91-E115 WeakPolarHBondContact O-CB 3.46Å
92	E	95.8	Very high	96.5	Very high	73 Å²	73	32.5 Å²	32.5	34%	0.341	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-61.9	-17.2	-179.7	-61	83.9	167.8	0	0	113	P68 A71 P90 G94 N95	P68-E92 HydrophobicContact CB-CB 4.38Å; P68-E92 VanDerWaalsContact CB-CD 3.46Å; P68-E92 HydrophobicContact CB-CG 3.95Å; A71-E92 HydrophobicContact CB-CB 3.81Å; A71-E92 WeakPolarHBondContact CB-O 3.29Å; P90-E92 WeakPolarHBondContact CB-OE2 3.35Å; P90-E92 PolarHBondContact O-N 2.88Å; E92-G94 PolarHBondContact O-N 3.43Å; E92-N95 WeakPolarHBondContact O-CB 3.28Å; E92-N95 PolarHBondContact O-N 3.04Å
93	L	96.1	Very high	96.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.3	170.8	-171.4	57.8	0	0	0	111.7	I70 L79 L89 P90 A91 N95 M96 L99 L102 L116	I70-L93 HydrophobicContact CG2-CD1 4.41Å; L79-L93 HydrophobicContact CD2-CD1 3.92Å; L89-L93 HydrophobicContact CB-CD2 4.32Å; L89-L93 HydrophobicContact CD1-CD2 4.13Å; L89-L93 HydrophobicContact CD2-CD2 4.35Å; L89-L93 HydrophobicContact CG-CD2 4.49Å; P90-L93 HydrophobicContact CG-CB 4.49Å; P90-L93 WeakPolarHBondContact O-CB 3.33Å; P90-L93 PolarHBondContact O-N 2.84Å; A91-L93 PolarHBondContact O-N 2.92Å; L93-N95 PolarHBondContact O-N 3.21Å; L93-M96 HydrophobicContact CD1-SD 3.54Å; L93-M96 VanDerWaalsContact CD1-SD 3.54Å; L93-M96 PolarHBondContact O-N 3.08Å; L93-L99 HydrophobicContact CD1-CD1 4.17Å; L93-L102 HydrophobicContact CD2-CD1 4.44Å; L93-L102 HydrophobicContact CD2-CD2 4.01Å; L93-L102 HydrophobicContact CG-CD2 4.49Å; L93-L116 HydrophobicContact CB-CD2 4.26Å; L93-L116 HydrophobicContact CD2-CD2 3.88Å; L93-L116 HydrophobicContact CG-CD2 3.91Å
94	G	94.2	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-65.5	-18.7	173.6	0	0	0	0	0	114.8	A91 E92 M96 E115 R118	A91-G94 PolarHBondContact O-N 2.64Å; E92-G94 PolarHBondContact O-N 3.43Å; G94-M96 VanDerWaalsContact C-N 3.28Å; G94-E115 WeakPolarHBondContact CA-O 3.4Å; G94-R118 VanDerWaalsContact O-CB 3.26Å; G94-R118 WeakPolarHBondContact O-CB 3.37Å
95	N	92.9	Very high	96.5	Very high	50 Å²	50	32.8 Å²	32.8	27%	0.267	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-82.6	-8	178.6	-61.7	-15.9	0	0	0	112.4	E92 L93 V97 R118 N510	E92-N95 WeakPolarHBondContact O-CB 3.28Å; E92-N95 PolarHBondContact O-N 3.04Å; L93-N95 PolarHBondContact O-N 3.21Å; N95-V97 PolarHBondContact O-N 2.96Å; N95-R118 PolarHBondContact OD1-NH1 3.26Å; N95-R118 VanDerWaalsContact OD1-NH1 3.1Å; N95-N510 PolarHBondContact ND2-OD1 3.15Å
96	M	94.4	Very high	96.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.167	C	C	.	.			trans	-85.4	55.9	-179.2	-59.6	-179.5	66.9	0	0	111.5	I70 A71 L73 L76 L93 G94 S98 L99 L119	I70-M96 HydrophobicContact CG1-CE 4.31Å; I70-M96 HydrophobicContact CG1-SD 4.04Å; I70-M96 HydrophobicContact CG2-SD 4.19Å; A71-M96 HydrophobicContact CB-CG 4.26Å; L73-M96 HydrophobicContact CB-CE 4.37Å; L76-M96 HydrophobicContact CB-CE 3.72Å; L76-M96 HydrophobicContact CD2-CE 3.57Å; L76-M96 HydrophobicContact CG-CE 4.28Å; L93-M96 HydrophobicContact CD1-SD 3.54Å; L93-M96 VanDerWaalsContact CD1-SD 3.54Å; L93-M96 PolarHBondContact O-N 3.08Å; G94-M96 VanDerWaalsContact C-N 3.28Å; M96-S98 PolarHBondContact O-N 2.72Å; M96-L99 HydrophobicContact CB-CD1 3.65Å; M96-L99 HydrophobicContact CB-CG 3.97Å; M96-L99 HydrophobicContact CE-CD1 4.27Å; M96-L99 HydrophobicContact CE-CG 4.46Å; M96-L99 WeakPolarHBondContact O-CB 3.31Å; M96-L99 WeakPolarHBondContact O-CG 3.22Å; M96-L99 PolarHBondContact O-N 3.24Å; M96-L99 HydrophobicContact SD-CD1 4.35Å; M96-L119 VanDerWaalsContact C-CD2 3.48Å; M96-L119 HydrophobicContact CB-CD2 4.49Å; M96-L119 VanDerWaalsContact O-CD2 3.23Å; M96-L119 WeakPolarHBondContact O-CD2 3.4Å
97	V	93	Very high	96.5	Very high	21 Å²	21	32.4 Å²	32.4	13%	0.127	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.4	-171.1	-67	0	0	0	0	115.2	N95 L99 F120 Q121 Y476	N95-V97 PolarHBondContact O-N 2.96Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-F120 HydrophobicContact CB-CE1 4.1Å; V97-F120 HydrophobicContact CG1-CE1 4.22Å; V97-Q121 WeakPolarHBondContact O-CB 3.39Å; V97-Q121 WeakPolarHBondContact O-CG 3.49Å; V97-Q121 PolarHBondContact O-OE1 3.36Å; V97-Q121 VanDerWaalsContact O-OE1 3.13Å; V97-Y476 HydrophobicContact CB-CE2 4.17Å; V97-Y476 HydrophobicContact CG2-CE2 3.5Å
98	S	93.4	Very high	96.6	Very high	21 Å²	21	28.6 Å²	28.6	15%	0.147	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.3	173.7	41.7	0	0	0	0	114.3	P74 L76 M96 R100	P74-S98 PolarHBondContact O-OG 3.01Å; L76-S98 CarbonylContact O-C 3.57Å; L76-S98 PolarHBondContact O-OG 3.25Å; M96-S98 PolarHBondContact O-N 2.72Å; S98-R100 PolarHBondContact O-N 2.96Å
99	L	96.7	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.			trans	-63.1	128.8	178.3	-78.4	172.7	0	0	0	111.5	L76 L79 L93 M96 V97 L119 Q121 L122	L76-L99 HydrophobicContact CB-CD2 4.37Å; L76-L99 HydrophobicContact CD2-CD2 4.25Å; L76-L99 HydrophobicContact CG-CD2 4.26Å; L76-L99 WeakPolarHBondContact O-CD2 3.44Å; L76-L99 PolarHBondContact O-N 3.11Å; L79-L99 HydrophobicContact CB-CD2 3.81Å; L93-L99 HydrophobicContact CD1-CD1 4.17Å; M96-L99 HydrophobicContact CB-CD1 3.65Å; M96-L99 HydrophobicContact CB-CG 3.97Å; M96-L99 HydrophobicContact CE-CD1 4.27Å; M96-L99 HydrophobicContact CE-CG 4.46Å; M96-L99 WeakPolarHBondContact O-CB 3.31Å; M96-L99 WeakPolarHBondContact O-CG 3.22Å; M96-L99 PolarHBondContact O-N 3.24Å; M96-L99 HydrophobicContact SD-CD1 4.35Å; V97-L99 VanDerWaalsContact C-N 3.32Å; L99-L119 HydrophobicContact CD1-CD1 4.31Å; L99-Q121 CarbonylContact O-C 3.24Å; L99-L122 HydrophobicContact CB-CD1 4.02Å; L99-L122 WeakPolarHBondContact O-CA 3.22Å; L99-L122 PolarHBondContact O-N 3.33Å
100	R	97.3	Very high	96.6	Very high	52 Å²	52	32.7 Å²	32.7	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	-108.3	-30	172.1	-64.9	-179.5	-175	-111.4	7	111.9	E4 Y6 V77 S98 Q123 T124	E4-R100 IonicContact OE2-NH2 2.89Å; Y6-R100 VanDerWaalsContact CD2-CD 3.44Å; Y6-R100 HydrophobicContact CE1-CB 4.38Å; Y6-R100 HydrophobicContact CE2-CB 4.41Å; V77-R100 HydrophobicContact CG1-CB 3.84Å; V77-R100 HydrophobicContact CG1-CG 3.82Å; V77-R100 PolarHBondContact O-N 2.88Å; S98-R100 PolarHBondContact O-N 2.96Å; R100-Q123 PolarHBondContact O-N 2.66Å; R100-T124 PolarHBondContact O-N 2.87Å
101	E	98.1	Very high	96.5	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.103	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.4	176.9	-59.9	-165	-152.6	0	0	111.9	Y6 V77 Y78 L79 T124	Y6-E101 HydrophobicContact CE1-CG 4.28Å; Y6-E101 WeakPolarHBondContact CE1-OE1 3.19Å; Y6-E101 PolarHBondContact OH-OE1 3.23Å; V77-E101 PolarHBondContact O-N 3.08Å; V77-E101 VanDerWaalsContact O-N 3.08Å; Y78-E101 HydrophobicContact CD2-CB 3.62Å; Y78-E101 HydrophobicContact CD2-CG 4.16Å; Y78-E101 HydrophobicContact CE2-CB 4.13Å; Y78-E101 VanDerWaalsContact CE2-OE2 3.27Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.43Å; Y78-E101 HydrophobicContact CG-CB 4.42Å; L79-E101 PolarHBondContact N-O 3.45Å; E101-T124 WeakPolarHBondContact CA-O 3.31Å
102	L	98.4	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	105.5	176	176	57.2	0	0	0	109	L79 L93 L104 L116 L119 L122 T124 L125 G126	L79-L102 HydrophobicContact CB-CD1 4.13Å; L79-L102 HydrophobicContact CD2-CD1 3.83Å; L79-L102 HydrophobicContact CG-CD1 3.98Å; L79-L102 WeakPolarHBondContact O-CA 3.18Å; L93-L102 HydrophobicContact CD2-CD1 4.44Å; L93-L102 HydrophobicContact CD2-CD2 4.01Å; L93-L102 HydrophobicContact CG-CD2 4.49Å; L102-L104 HydrophobicContact CD1-CD1 4.43Å; L102-L104 HydrophobicContact CD1-CD2 4.09Å; L102-L104 HydrophobicContact CD1-CG 4.1Å; L102-L104 HydrophobicContact CD2-CD1 4.07Å; L102-L104 HydrophobicContact CG-CD1 3.99Å; L102-L104 HydrophobicContact CG-CG 4.02Å; L102-L116 HydrophobicContact CD2-CD2 4.15Å; L102-L119 HydrophobicContact CD2-CD1 4.21Å; L102-L122 HydrophobicContact CB-CD1 3.74Å; L102-L122 HydrophobicContact CB-CD2 4.17Å; L102-T124 PolarHBondContact N-O 3.36Å; L102-L125 HydrophobicContact CB-CD1 4.17Å; L102-L125 HydrophobicContact CD2-CD1 3.97Å; L102-L125 HydrophobicContact CG-CD1 4.01Å; L102-L125 CarbonylContact O-C 3.21Å; L102-L125 WeakPolarHBondContact O-CA 3.4Å; L102-G126 PolarHBondContact O-N 3.14Å
103	L	98.6	Very high	96.7	Very high	27 Å²	27	33.4 Å²	33.4	14%	0.141	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.3	-177.4	-53	-177.4	0	0	0	110.4	Y78 L79 N80 L81 S82 T124	Y78-L103 HydrophobicContact CE2-CD1 4.14Å; Y78-L103 VanDerWaalsContact OH-CD1 3.28Å; Y78-L103 WeakPolarHBondContact OH-CD1 3.37Å; L79-L103 PolarHBondContact O-N 2.89Å; N80-L103 HydrophobicContact CB-CB 4.21Å; N80-L103 HydrophobicContact CB-CD1 4.29Å; N80-L103 WeakPolarHBondContact OD1-CB 3.49Å; L81-L103 CarbonylContact C-O 3.4Å; L81-L103 WeakPolarHBondContact CA-O 3.42Å; L81-L103 PolarHBondContact N-O 3.45Å; S82-L103 PolarHBondContact N-O 3.28Å; S82-L103 WeakPolarHBondContact OG-CB 3.46Å; S82-L103 PolarHBondContact OG-O 2.9Å; L103-T124 HydrophobicContact CD2-CG2 3.9Å
104	L	98.4	Very high	96.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.			trans	-124.3	15.8	-175.6	-60.4	165.2	0	0	0	112.1	L81 L89 L102 N107 L109 L125 G126 L127 N130	L81-L104 HydrophobicContact CB-CD2 4.06Å; L81-L104 HydrophobicContact CD1-CD2 3.97Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.3Å; L89-L104 HydrophobicContact CD2-CD2 3.8Å; L102-L104 HydrophobicContact CD1-CD1 4.43Å; L102-L104 HydrophobicContact CD1-CD2 4.09Å; L102-L104 HydrophobicContact CD1-CG 4.1Å; L102-L104 HydrophobicContact CD2-CD1 4.07Å; L102-L104 HydrophobicContact CG-CD1 3.99Å; L102-L104 HydrophobicContact CG-CG 4.02Å; L104-N107 PolarHBondContact O-ND2 2.92Å; L104-L109 HydrophobicContact CB-CD1 4.09Å; L104-L109 HydrophobicContact CD1-CD1 4.21Å; L104-L125 HydrophobicContact CD1-CD1 4.08Å; L104-G126 CarbonylContact C-O 3.4Å; L104-G126 VanDerWaalsContact C-O 3.24Å; L104-G126 WeakPolarHBondContact CA-O 3.18Å; L104-G126 VanDerWaalsContact CB-O 3.26Å; L104-G126 WeakPolarHBondContact CB-O 3.37Å; L104-G126 PolarHBondContact N-O 3.32Å; L104-L127 HydrophobicContact CB-CD2 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.88Å; L104-N130 PolarHBondContact O-ND2 3.04Å
105	N	98.4	Very high	96.8	Very high	37 Å²	37	40 Å²	40	20%	0.198	20%	0.196	C	C	.	.			trans	-59.3	151.1	-173.1	-56.5	-73.6	0	0	0	111.6	S82 S83 N107 G126 L127 K128	S82-N105 CarbonylContact C-O 3.6Å; S82-N105 WeakPolarHBondContact CA-O 3.42Å; S82-N105 WeakPolarHBondContact CB-O 3.4Å; S82-N105 PolarHBondContact OG-N 3.26Å; S82-N105 PolarHBondContact OG-ND2 3.29Å; S83-N105 PolarHBondContact N-O 3.42Å; N105-N107 PolarHBondContact O-N 3.07Å; N105-N107 PolarHBondContact O-ND2 2.91Å; N105-G126 PolarHBondContact N-O 3.32Å; N105-G126 VanDerWaalsContact OD1-C 3.27Å; N105-L127 PolarHBondContact OD1-N 3.24Å; N105-K128 CarbonylContact C-O 3.45Å; N105-K128 WeakPolarHBondContact CA-O 3.5Å; N105-K128 WeakPolarHBondContact CB-O 3.28Å; N105-K128 WeakPolarHBondContact OD1-CB 3.2Å; N105-K128 PolarHBondContact OD1-N 3.08Å
106	N	98.4	Very high	96.9	Very high	89 Å²	89	37.7 Å²	37.7	48%	0.476	18%	0.183	S	C	.	.	S	Bend	trans	53.3	51.1	174.7	-52.3	-42.4	0	0	0	113.1	S83 K128	S83-N106 WeakPolarHBondContact CA-O 3.31Å; N106-K128 PolarHBondContact N-O 2.69Å
107	N	98.7	Very high	97	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	-114.6	-168.3	169.9	-85	-76.3	0	0	0	109.8	L81 N84 K85 L86 L104 N105 L109 N130	L81-N107 PolarHBondContact O-ND2 3.46Å; N84-N107 VanDerWaalsContact CA-OD1 3.28Å; N84-N107 WeakPolarHBondContact CA-OD1 3.28Å; N84-N107 WeakPolarHBondContact CB-OD1 3.5Å; N84-N107 PolarHBondContact N-OD1 3.1Å; N84-N107 PolarHBondContact O-OD1 3.06Å; K85-N107 PolarHBondContact N-OD1 3.16Å; L86-N107 HydrophobicContact CB-CB 4.22Å; L86-N107 WeakPolarHBondContact CB-OD1 3.35Å; L86-N107 WeakPolarHBondContact CG-OD1 3.31Å; L86-N107 PolarHBondContact N-OD1 2.83Å; L104-N107 PolarHBondContact O-ND2 2.92Å; N105-N107 PolarHBondContact O-N 3.07Å; N105-N107 PolarHBondContact O-ND2 2.91Å; N107-L109 HydrophobicContact CB-CG 4.15Å; N107-N130 VanDerWaalsContact CA-OD1 3.23Å; N107-N130 WeakPolarHBondContact CA-OD1 3.48Å; N107-N130 WeakPolarHBondContact CB-OD1 3.29Å; N107-N130 PolarHBondContact N-OD1 3.08Å; N107-N130 PolarHBondContact O-OD1 3.37Å
108	L	98.4	Very high	97.1	Very high	71 Å²	71	39.8 Å²	39.8	37%	0.372	19%	0.189	S	C	.	.			trans	-113.1	28.4	179.8	-59.2	173.8	0	0	0	111.7	K85 L86 R87 R110 N130	K85-L108 HydrophobicContact CB-CD1 4.4Å; L86-L108 CarbonylContact O-C 3.52Å; L86-L108 WeakPolarHBondContact O-CA 3.32Å; L86-L108 WeakPolarHBondContact O-CB 3.45Å; L86-L108 PolarHBondContact O-N 2.75Å; R87-L108 HydrophobicContact CG-CB 4.07Å; L108-R110 PolarHBondContact O-N 3.28Å; L108-N130 PolarHBondContact N-OD1 3.12Å
109	L	98.3	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.			trans	-68.6	121.4	-178.2	-58.8	173.5	0	0	0	110.2	L86 L89 L104 N107 L112 N130 P131 L132	L86-L109 HydrophobicContact CB-CD2 4.13Å; L86-L109 PolarHBondContact O-N 2.89Å; L89-L109 HydrophobicContact CD1-CD1 4.18Å; L89-L109 HydrophobicContact CD2-CD1 4.47Å; L89-L109 HydrophobicContact CD2-CD2 4.2Å; L89-L109 HydrophobicContact CG-CD1 4.31Å; L89-L109 HydrophobicContact CG-CD2 3.96Å; L104-L109 HydrophobicContact CB-CD1 4.09Å; L104-L109 HydrophobicContact CD1-CD1 4.21Å; N107-L109 HydrophobicContact CB-CG 4.15Å; L109-L112 HydrophobicContact CD1-CD2 4.06Å; L109-N130 HydrophobicContact CB-CB 4.15Å; L109-N130 VanDerWaalsContact CB-OD1 3.32Å; L109-N130 WeakPolarHBondContact CB-OD1 3.44Å; L109-N130 WeakPolarHBondContact CG-OD1 3.32Å; L109-N130 PolarHBondContact N-OD1 2.86Å; L109-N130 VanDerWaalsContact N-OD1 3.1Å; L109-P131 CarbonylContact O-C 3.42Å; L109-P131 VanDerWaalsContact O-C 3.29Å; L109-P131 VanDerWaalsContact O-CD 3.23Å; L109-P131 WeakPolarHBondContact O-CD 3.46Å; L109-P131 WeakPolarHBondContact O-CG 3.45Å; L109-L132 HydrophobicContact CB-CD2 4.16Å; L109-L132 WeakPolarHBondContact O-CD2 3.08Å; L109-L132 PolarHBondContact O-N 3.02Å
110	R	96.8	Very high	97	Very high	167 Å²	167	41.4 Å²	41.4	63%	0.63	19%	0.194	S	C	*	.	S	Bend	trans	-100	-27.2	173.9	-67.4	-179.2	178.9	173.5	-3.5	113	L108 P131	L108-R110 PolarHBondContact O-N 3.28Å; R110-P131 WeakPolarHBondContact CA-O 3.42Å; R110-P131 HydrophobicContact CG-CB 4.5Å; R110-P131 HydrophobicContact CG-CG 3.97Å
111	V	95.8	Very high	96.8	Very high	102 Å²	102	41.1 Å²	41.1	62%	0.618	19%	0.194	S	C	*	.			trans	-137.3	155.3	179.3	-63.8	0	0	0	0	108.7
112	L	97.2	Very high	96.7	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	19%	0.191	C	C	.	.			trans	-117.6	138	173.8	-64.8	173.7	0	0	0	108.2	L89 L109 L116 L127 L132 I136 L149 M153	L89-L112 HydrophobicContact CD1-CD2 3.91Å; L109-L112 HydrophobicContact CD1-CD2 4.06Å; L112-L116 HydrophobicContact CB-CD1 4.19Å; L112-L116 HydrophobicContact CD2-CD1 4.24Å; L112-L127 HydrophobicContact CD1-CD1 3.76Å; L112-L127 HydrophobicContact CD1-CD2 3.98Å; L112-L127 HydrophobicContact CD2-CD2 4.01Å; L112-L132 HydrophobicContact CD1-CD1 4.26Å; L112-L132 HydrophobicContact CD1-CD2 4.28Å; L112-L132 HydrophobicContact CD2-CD2 4.28Å; L112-L132 HydrophobicContact CG-CD2 3.88Å; L112-I136 HydrophobicContact CD1-CG2 4.18Å; L112-L149 HydrophobicContact CD1-CD2 4.22Å; L112-M153 HydrophobicContact CB-CE 3.45Å; L112-M153 VanDerWaalsContact CB-CE 3.45Å; L112-M153 HydrophobicContact CD1-CE 3.58Å; L112-M153 HydrophobicContact CG-CE 4.14Å
113	P	96.5	Very high	96.4	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.143	21%	0.211	C	C	.	.			trans	-65	137.6	173	24.2	-27.3	0	0	0	109.8	L89 E115 L116	L89-P113 HydrophobicContact CB-CG 3.92Å; P113-E115 VanDerWaalsContact CB-OE2 3.22Å; P113-E115 WeakPolarHBondContact CB-OE2 3.42Å; P113-E115 PolarHBondContact O-N 3.18Å; P113-L116 HydrophobicContact CG-CG 4.16Å; P113-L116 WeakPolarHBondContact O-CB 3.36Å; P113-L116 PolarHBondContact O-N 2.72Å
114	Y	96.4	Very high	96.3	Very high	87 Å²	87	46.2 Å²	46.2	34%	0.341	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-68.5	-19.5	-177.9	-82.1	-115.6	0	0	0	111.5	L116 G117 Y152 M153 N156	Y114-L116 PolarHBondContact O-N 2.59Å; Y114-L116 VanDerWaalsContact O-N 3.15Å; Y114-G117 PolarHBondContact O-N 2.96Å; Y114-Y152 HydrophobicContact CE1-CE1 4.16Å; Y114-M153 HydrophobicContact CD1-CB 4.38Å; Y114-M153 WeakPolarHBondContact CD1-O 3.46Å; Y114-N156 HydrophobicContact CD1-CB 3.71Å; Y114-N156 HydrophobicContact CE1-CB 3.41Å; Y114-N156 VanDerWaalsContact CE1-CB 3.41Å
115	E	96.1	Very high	96.3	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.9	-23.3	173.7	-65.5	81.6	176.2	0	0	112.4	A91 G94 P113 G117 R118 L157	A91-E115 HydrophobicContact CB-CB 4.44Å; A91-E115 HydrophobicContact CB-CG 3.91Å; A91-E115 WeakPolarHBondContact O-CB 3.46Å; G94-E115 WeakPolarHBondContact CA-O 3.4Å; P113-E115 VanDerWaalsContact CB-OE2 3.22Å; P113-E115 WeakPolarHBondContact CB-OE2 3.42Å; P113-E115 PolarHBondContact O-N 3.18Å; E115-G117 PolarHBondContact O-N 3.41Å; E115-G117 VanDerWaalsContact O-N 3.13Å; E115-R118 VanDerWaalsContact O-CB 3.3Å; E115-R118 WeakPolarHBondContact O-CB 3.5Å; E115-R118 PolarHBondContact O-N 3.18Å; E115-L157 HydrophobicContact CG-CD1 4.05Å
116	L	96.8	Very high	96.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.7	170.9	-70.6	-176.9	0	0	0	112.4	L89 L93 L102 L112 P113 Y114 R118 L119 L150 M153	L89-L116 HydrophobicContact CD1-CD1 4.12Å; L93-L116 HydrophobicContact CB-CD2 4.26Å; L93-L116 HydrophobicContact CD2-CD2 3.88Å; L93-L116 HydrophobicContact CG-CD2 3.91Å; L102-L116 HydrophobicContact CD2-CD2 4.15Å; L112-L116 HydrophobicContact CB-CD1 4.19Å; L112-L116 HydrophobicContact CD2-CD1 4.24Å; P113-L116 HydrophobicContact CG-CG 4.16Å; P113-L116 WeakPolarHBondContact O-CB 3.36Å; P113-L116 PolarHBondContact O-N 2.72Å; Y114-L116 PolarHBondContact O-N 2.59Å; Y114-L116 VanDerWaalsContact O-N 3.15Å; L116-R118 PolarHBondContact O-N 2.85Å; L116-R118 VanDerWaalsContact O-N 3.09Å; L116-L119 HydrophobicContact CD2-CD1 3.8Å; L116-L119 VanDerWaalsContact O-CB 3.31Å; L116-L119 WeakPolarHBondContact O-CB 3.44Å; L116-L119 WeakPolarHBondContact O-CG 3.21Å; L116-L119 PolarHBondContact O-N 2.88Å; L116-L150 HydrophobicContact CB-CD2 4.34Å; L116-L150 VanDerWaalsContact O-CD2 3.28Å; L116-L150 WeakPolarHBondContact O-CD2 3.36Å; L116-M153 HydrophobicContact CB-SD 3.89Å
117	G	95.6	Very high	96.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-58.3	-20.6	175.2	0	0	0	0	0	114.1	Y114 E115 L119 L150	Y114-G117 PolarHBondContact O-N 2.96Å; E115-G117 PolarHBondContact O-N 3.41Å; E115-G117 VanDerWaalsContact O-N 3.13Å; G117-L119 PolarHBondContact O-N 2.66Å; G117-L150 WeakPolarHBondContact CA-O 3.24Å
118	R	94.8	Very high	96.1	Very high	65 Å²	65	48.2 Å²	48.2	25%	0.245	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-71.4	-13.6	173.5	-65.3	178.4	177.2	170.2	-1.1	113.4	G94 N95 E115 L116 F120 L154 L157	G94-R118 VanDerWaalsContact O-CB 3.26Å; G94-R118 WeakPolarHBondContact O-CB 3.37Å; N95-R118 PolarHBondContact OD1-NH1 3.26Å; N95-R118 VanDerWaalsContact OD1-NH1 3.1Å; E115-R118 VanDerWaalsContact O-CB 3.3Å; E115-R118 WeakPolarHBondContact O-CB 3.5Å; E115-R118 PolarHBondContact O-N 3.18Å; L116-R118 PolarHBondContact O-N 2.85Å; L116-R118 VanDerWaalsContact O-N 3.09Å; R118-F120 VanDerWaalsContact O-CD1 3.26Å; R118-F120 WeakPolarHBondContact O-CD1 3.43Å; R118-F120 PolarHBondContact O-N 2.9Å; R118-L154 HydrophobicContact CG-CD1 4.18Å; R118-L157 HydrophobicContact CG-CD2 4.22Å
119	L	95.6	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.			trans	-79.2	59.5	179.8	-56.8	-177.4	0	0	0	111.7	M96 L99 L102 L116 G117 Q121 L122	M96-L119 VanDerWaalsContact C-CD2 3.48Å; M96-L119 HydrophobicContact CB-CD2 4.49Å; M96-L119 VanDerWaalsContact O-CD2 3.23Å; M96-L119 WeakPolarHBondContact O-CD2 3.4Å; L99-L119 HydrophobicContact CD1-CD1 4.31Å; L102-L119 HydrophobicContact CD2-CD1 4.21Å; L116-L119 HydrophobicContact CD2-CD1 3.8Å; L116-L119 VanDerWaalsContact O-CB 3.31Å; L116-L119 WeakPolarHBondContact O-CB 3.44Å; L116-L119 WeakPolarHBondContact O-CG 3.21Å; L116-L119 PolarHBondContact O-N 2.88Å; G117-L119 PolarHBondContact O-N 2.66Å; L119-Q121 PolarHBondContact O-N 3.29Å; L119-Q121 VanDerWaalsContact O-N 3.17Å; L119-L122 HydrophobicContact CB-CB 3.98Å; L119-L122 HydrophobicContact CB-CD2 4.47Å; L119-L122 HydrophobicContact CD1-CD2 4.35Å; L119-L122 WeakPolarHBondContact O-CB 3.17Å; L119-L122 PolarHBondContact O-N 3.2Å
120	F	91.7	Very high	96	Very high	56 Å²	56	47.8 Å²	47.8	25%	0.246	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.2	-173.8	68.5	-85.2	0	0	0	114.1	V97 R118 G203 Y204 Y476	V97-F120 HydrophobicContact CB-CE1 4.1Å; V97-F120 HydrophobicContact CG1-CE1 4.22Å; R118-F120 VanDerWaalsContact O-CD1 3.26Å; R118-F120 WeakPolarHBondContact O-CD1 3.43Å; R118-F120 PolarHBondContact O-N 2.9Å; F120-G203 VanDerWaalsContact CB-C 3.45Å; F120-G203 WeakPolarHBondContact CB-O 3.48Å; F120-Y204 HydrophobicContact CD1-CD1 4.32Å; F120-Y204 HydrophobicContact CD1-CG 4.47Å; F120-Y204 HydrophobicContact CD2-CD1 4.46Å; F120-Y204 HydrophobicContact CE1-CD1 4.01Å; F120-Y204 HydrophobicContact CE1-CG 4.37Å; F120-Y204 HydrophobicContact CE2-CD1 4.12Å; F120-Y204 AromaticContact CZ-CD1 3.92Å; F120-Y204 HydrophobicContact CZ-CD1 3.92Å; F120-Y476 HydrophobicContact CE1-CD2 4.15Å; F120-Y476 HydrophobicContact CE1-CE2 4.34Å; F120-Y476 HydrophobicContact CE1-CG 4.31Å; F120-Y476 HydrophobicContact CE2-CD1 4.13Å; F120-Y476 HydrophobicContact CE2-CE1 4.44Å; F120-Y476 HydrophobicContact CE2-CG 4.36Å; F120-Y476 AromaticContact CZ-CD1 3.57Å; F120-Y476 HydrophobicContact CZ-CD1 3.57Å; F120-Y476 AromaticContact CZ-CD2 3.74Å; F120-Y476 HydrophobicContact CZ-CD2 3.74Å; F120-Y476 AromaticContact CZ-CE1 3.82Å; F120-Y476 HydrophobicContact CZ-CE1 3.82Å; F120-Y476 AromaticContact CZ-CE2 3.99Å; F120-Y476 HydrophobicContact CZ-CE2 3.99Å; F120-Y476 AromaticContact CZ-CG 3.5Å; F120-Y476 HydrophobicContact CZ-CG 3.5Å; F120-Y476 AromaticContact CZ-CZ 3.99Å
121	Q	93.1	Very high	96	Very high	45 Å²	45	43.1 Å²	43.1	21%	0.21	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.4	172.8	-55.2	-163.4	-43.8	0	0	113.5	V97 L99 L119 Q123 Y476	V97-Q121 WeakPolarHBondContact O-CB 3.39Å; V97-Q121 WeakPolarHBondContact O-CG 3.49Å; V97-Q121 PolarHBondContact O-OE1 3.36Å; V97-Q121 VanDerWaalsContact O-OE1 3.13Å; L99-Q121 CarbonylContact O-C 3.24Å; L119-Q121 PolarHBondContact O-N 3.29Å; L119-Q121 VanDerWaalsContact O-N 3.17Å; Q121-Q123 PolarHBondContact O-N 3.36Å; Q121-Y476 VanDerWaalsContact NE2-CE1 3.26Å; Q121-Y476 PolarHBondContact OE1-OH 2.83Å
122	L	95.9	Very high	96.1	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.026	20%	0.201	C	C	.	.			trans	-69	123.7	-175.8	-165.5	74.6	0	0	0	111.1	L99 L102 L119 L125 L150	L99-L122 HydrophobicContact CB-CD1 4.02Å; L99-L122 WeakPolarHBondContact O-CA 3.22Å; L99-L122 PolarHBondContact O-N 3.33Å; L102-L122 HydrophobicContact CB-CD1 3.74Å; L102-L122 HydrophobicContact CB-CD2 4.17Å; L119-L122 HydrophobicContact CB-CB 3.98Å; L119-L122 HydrophobicContact CB-CD2 4.47Å; L119-L122 HydrophobicContact CD1-CD2 4.35Å; L119-L122 WeakPolarHBondContact O-CB 3.17Å; L119-L122 PolarHBondContact O-N 3.2Å; L122-L125 HydrophobicContact CD2-CB 3.86Å; L122-L125 HydrophobicContact CD2-CD1 4.15Å; L122-L125 HydrophobicContact CD2-CD2 4.47Å; L122-L125 HydrophobicContact CD2-CG 4.37Å; L122-L150 HydrophobicContact CB-CD1 3.9Å; L122-L150 HydrophobicContact CD2-CD1 4.06Å; L122-L150 HydrophobicContact CD2-CD2 4.32Å; L122-L150 HydrophobicContact CG-CD1 4.48Å
123	Q	94.1	Very high	96	Very high	90 Å²	90	40.9 Å²	40.9	42%	0.421	22%	0.216	S	C	.	.			trans	-100.2	-42.6	-178.3	-56.2	-176.8	-4.5	0	0	110.7	R100 Q121	R100-Q123 PolarHBondContact O-N 2.66Å; Q121-Q123 PolarHBondContact O-N 3.36Å
124	T	95.1	Very high	95.9	Very high	62 Å²	62	45.2 Å²	45.2	38%	0.38	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.7	-177.6	-56.3	0	0	0	0	110.1	R100 E101 L102 L103	R100-T124 PolarHBondContact O-N 2.87Å; E101-T124 WeakPolarHBondContact CA-O 3.31Å; L102-T124 PolarHBondContact N-O 3.36Å; L103-T124 HydrophobicContact CD2-CG2 3.9Å
125	L	97.8	Very high	95.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.8	170.3	178.3	56.1	0	0	0	108.2	L102 L104 L122 L127 Y140 T146 L149 L150	L102-L125 HydrophobicContact CB-CD1 4.17Å; L102-L125 HydrophobicContact CD2-CD1 3.97Å; L102-L125 HydrophobicContact CG-CD1 4.01Å; L102-L125 CarbonylContact O-C 3.21Å; L102-L125 WeakPolarHBondContact O-CA 3.4Å; L104-L125 HydrophobicContact CD1-CD1 4.08Å; L122-L125 HydrophobicContact CD2-CB 3.86Å; L122-L125 HydrophobicContact CD2-CD1 4.15Å; L122-L125 HydrophobicContact CD2-CD2 4.47Å; L122-L125 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CD1-CD2 4.26Å; L125-L127 HydrophobicContact CD1-CG 4.26Å; L125-L127 HydrophobicContact CD2-CD1 3.84Å; L125-L127 HydrophobicContact CD2-CG 4.32Å; L125-L127 HydrophobicContact CG-CD1 3.96Å; L125-L127 HydrophobicContact CG-CD2 4.42Å; L125-L127 HydrophobicContact CG-CG 3.91Å; L125-Y140 VanDerWaalsContact O-CE2 3.26Å; L125-Y140 WeakPolarHBondContact O-CE2 3.35Å; L125-Y140 VanDerWaalsContact O-CZ 3.28Å; L125-Y140 PolarHBondContact O-OH 3.29Å; L125-T146 HydrophobicContact CB-CG2 3.64Å; L125-L149 HydrophobicContact CD2-CD2 4.24Å; L125-L150 HydrophobicContact CD2-CD2 4.35Å
126	G	97.4	Very high	95.7	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.2	-179.7	0	0	0	0	0	112.1	L102 L104 N105	L102-G126 PolarHBondContact O-N 3.14Å; L104-G126 CarbonylContact C-O 3.4Å; L104-G126 VanDerWaalsContact C-O 3.24Å; L104-G126 WeakPolarHBondContact CA-O 3.18Å; L104-G126 VanDerWaalsContact CB-O 3.26Å; L104-G126 WeakPolarHBondContact CB-O 3.37Å; L104-G126 PolarHBondContact N-O 3.32Å; N105-G126 PolarHBondContact N-O 3.32Å; N105-G126 VanDerWaalsContact OD1-C 3.27Å
127	L	97.8	Very high	95.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.25	C	C	.	.			trans	-117.6	-0.8	-176.8	-68	170.6	0	0	0	114.6	L104 N105 L112 L125 N130 L132 Y140 L149	L104-L127 HydrophobicContact CB-CD2 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.88Å; N105-L127 PolarHBondContact OD1-N 3.24Å; L112-L127 HydrophobicContact CD1-CD1 3.76Å; L112-L127 HydrophobicContact CD1-CD2 3.98Å; L112-L127 HydrophobicContact CD2-CD2 4.01Å; L125-L127 HydrophobicContact CD1-CD2 4.26Å; L125-L127 HydrophobicContact CD1-CG 4.26Å; L125-L127 HydrophobicContact CD2-CD1 3.84Å; L125-L127 HydrophobicContact CD2-CG 4.32Å; L125-L127 HydrophobicContact CG-CD1 3.96Å; L125-L127 HydrophobicContact CG-CD2 4.42Å; L125-L127 HydrophobicContact CG-CG 3.91Å; L127-N130 PolarHBondContact O-N 3.33Å; L127-N130 PolarHBondContact O-ND2 2.92Å; L127-L132 HydrophobicContact CB-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 4.17Å; L127-L132 HydrophobicContact CD2-CD1 4.25Å; L127-L132 HydrophobicContact CG-CD1 4.38Å; L127-Y140 HydrophobicContact CB-CD1 4.43Å; L127-Y140 HydrophobicContact CB-CE1 4.08Å; L127-Y140 HydrophobicContact CD1-CD2 4.06Å; L127-Y140 HydrophobicContact CD1-CE2 4.22Å; L127-Y140 HydrophobicContact CD1-CG 4.29Å; L127-Y140 PolarHBondContact N-OH 2.89Å; L127-L149 HydrophobicContact CD1-CD2 3.71Å
128	K	96.1	Very high	95.6	Very high	164 Å²	164	50.2 Å²	50.2	71%	0.713	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	140.2	-173.3	-175	177.2	178.3	178.8	0	111.4	N105 N106	N105-K128 CarbonylContact C-O 3.45Å; N105-K128 WeakPolarHBondContact CA-O 3.5Å; N105-K128 WeakPolarHBondContact CB-O 3.28Å; N105-K128 WeakPolarHBondContact OD1-CB 3.2Å; N105-K128 PolarHBondContact OD1-N 3.08Å; N106-K128 PolarHBondContact N-O 2.69Å
129	G	96.5	Very high	95.6	Very high	49 Å²	49	49.2 Å²	49.2	51%	0.505	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	14.3	176.8	0	0	0	0	0	114.8
130	N	98.3	Very high	95.6	Very high	13 Å²	13	52 Å²	52	7%	0.07	28%	0.278	C	S	.	.	S	Bend	trans	-98.9	145.4	169.3	-74.1	-80.2	0	0	0	111.5	L104 N107 L108 L109 L127 L132	L104-N130 PolarHBondContact O-ND2 3.04Å; N107-N130 VanDerWaalsContact CA-OD1 3.23Å; N107-N130 WeakPolarHBondContact CA-OD1 3.48Å; N107-N130 WeakPolarHBondContact CB-OD1 3.29Å; N107-N130 PolarHBondContact N-OD1 3.08Å; N107-N130 PolarHBondContact O-OD1 3.37Å; L108-N130 PolarHBondContact N-OD1 3.12Å; L109-N130 HydrophobicContact CB-CB 4.15Å; L109-N130 VanDerWaalsContact CB-OD1 3.32Å; L109-N130 WeakPolarHBondContact CB-OD1 3.44Å; L109-N130 WeakPolarHBondContact CG-OD1 3.32Å; L109-N130 PolarHBondContact N-OD1 2.86Å; L109-N130 VanDerWaalsContact N-OD1 3.1Å; L127-N130 PolarHBondContact O-N 3.33Å; L127-N130 PolarHBondContact O-ND2 2.92Å; N130-L132 HydrophobicContact CB-CD1 4.2Å; N130-L132 HydrophobicContact CB-CG 3.91Å; N130-L132 PolarHBondContact O-N 2.79Å
131	P	97.5	Very high	95.7	Very high	68 Å²	68	55.9 Å²	55.9	44%	0.442	30%	0.297	S	S	.	.			trans	-78.8	52	175.4	35.6	-38.1	0	0	0	112.7	L109 R110	L109-P131 CarbonylContact O-C 3.42Å; L109-P131 VanDerWaalsContact O-C 3.29Å; L109-P131 VanDerWaalsContact O-CD 3.23Å; L109-P131 WeakPolarHBondContact O-CD 3.46Å; L109-P131 WeakPolarHBondContact O-CG 3.45Å; R110-P131 WeakPolarHBondContact CA-O 3.42Å; R110-P131 HydrophobicContact CG-CB 4.5Å; R110-P131 HydrophobicContact CG-CG 3.97Å
132	L	97.2	Very high	95.8	Very high	14 Å²	14	57.9 Å²	57.9	7%	0.073	31%	0.306	C	S	.	.			trans	-71.8	158.6	177.5	-66.1	169.7	0	0	0	111.4	L109 L112 L127 N130 I136 L137	L109-L132 HydrophobicContact CB-CD2 4.16Å; L109-L132 WeakPolarHBondContact O-CD2 3.08Å; L109-L132 PolarHBondContact O-N 3.02Å; L112-L132 HydrophobicContact CD1-CD1 4.26Å; L112-L132 HydrophobicContact CD1-CD2 4.28Å; L112-L132 HydrophobicContact CD2-CD2 4.28Å; L112-L132 HydrophobicContact CG-CD2 3.88Å; L127-L132 HydrophobicContact CB-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 4.17Å; L127-L132 HydrophobicContact CD2-CD1 4.25Å; L127-L132 HydrophobicContact CG-CD1 4.38Å; N130-L132 HydrophobicContact CB-CD1 4.2Å; N130-L132 HydrophobicContact CB-CG 3.91Å; N130-L132 PolarHBondContact O-N 2.79Å; L132-I136 HydrophobicContact CB-CG2 4.47Å; L132-I136 HydrophobicContact CD1-CG2 4.17Å; L132-L137 HydrophobicContact CB-CD2 4.03Å; L132-L137 HydrophobicContact CB-CG 4.04Å; L132-L137 HydrophobicContact CD1-CD2 4.23Å
133	S	95.6	Very high	95.6	Very high	54 Å²	54	63 Å²	63	38%	0.378	34%	0.339	S	S	.	.			trans	-62.9	151.9	174.6	65.6	0	0	0	0	111.8	D135 I136 L137	S133-D135 PolarHBondContact O-N 3Å; S133-I136 PolarHBondContact O-N 2.98Å; S133-I136 WeakPolarHBondContact OG-CG1 3.28Å; S133-L137 WeakPolarHBondContact O-CG 3.28Å; S133-L137 PolarHBondContact O-N 3.01Å; S133-L137 VanDerWaalsContact O-N 3.1Å
134	Q	94	Very high	95.5	Very high	113 Å²	113	62.7 Å²	62.7	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-35.2	-178.2	-168.1	60.9	47	0	0	112.2	I136 L137 N138	Q134-I136 PolarHBondContact O-N 3.19Å; Q134-L137 PolarHBondContact O-N 3.06Å; Q134-N138 PolarHBondContact NE2-OD1 2.87Å; Q134-N138 WeakPolarHBondContact O-CB 3.26Å; Q134-N138 PolarHBondContact O-N 3.22Å; Q134-N138 PolarHBondContact O-ND2 2.85Å; Q134-N138 PolarHBondContact O-OD1 3.33Å
135	D	93.6	Very high	95.5	Very high	117 Å²	117	60 Å²	60	63%	0.626	33%	0.326	S	S	*	.	H	α-helix	trans	-63.2	-44	179.9	-55.8	-36.6	0	0	0	112.1	S133 N138 L139	S133-D135 PolarHBondContact O-N 3Å; D135-N138 PolarHBondContact O-N 2.99Å; D135-L139 PolarHBondContact O-N 3.04Å; D135-L139 VanDerWaalsContact O-N 3.14Å
136	I	95.2	Very high	95.3	Very high	22 Å²	22	61 Å²	61	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-42.1	176.3	-65.3	-68.4	0	0	0	110.6	L112 L132 S133 Q134 L139 Y140 L149 Y152 M153	L112-I136 HydrophobicContact CD1-CG2 4.18Å; L132-I136 HydrophobicContact CB-CG2 4.47Å; L132-I136 HydrophobicContact CD1-CG2 4.17Å; S133-I136 PolarHBondContact O-N 2.98Å; S133-I136 WeakPolarHBondContact OG-CG1 3.28Å; Q134-I136 PolarHBondContact O-N 3.19Å; I136-L139 PolarHBondContact O-N 2.86Å; I136-Y140 WeakPolarHBondContact O-CB 3.4Å; I136-Y140 PolarHBondContact O-N 2.82Å; I136-L149 HydrophobicContact CD1-CD1 3.75Å; I136-L149 HydrophobicContact CG2-CD1 3.99Å; I136-L149 HydrophobicContact CG2-CD2 4.11Å; I136-Y152 HydrophobicContact CD1-CE1 4.39Å; I136-M153 HydrophobicContact CD1-CE 4.45Å
137	L	94.4	Very high	95.2	Very high	37 Å²	37	67.7 Å²	67.7	19%	0.194	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-39.6	178.2	-69	176	0	0	0	111.9	L132 S133 Q134 Y140 Q141	L132-L137 HydrophobicContact CB-CD2 4.03Å; L132-L137 HydrophobicContact CB-CG 4.04Å; L132-L137 HydrophobicContact CD1-CD2 4.23Å; S133-L137 WeakPolarHBondContact O-CG 3.28Å; S133-L137 PolarHBondContact O-N 3.01Å; S133-L137 VanDerWaalsContact O-N 3.1Å; Q134-L137 PolarHBondContact O-N 3.06Å; L137-Y140 PolarHBondContact O-N 2.93Å; L137-Q141 WeakPolarHBondContact O-CB 3.33Å; L137-Q141 WeakPolarHBondContact O-CG 3.48Å; L137-Q141 PolarHBondContact O-N 2.81Å
138	N	95.3	Very high	95	Very high	73 Å²	73	71.5 Å²	71.5	39%	0.39	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-51.4	176.4	-70.3	-14	0	0	0	110.4	Q134 D135 Y140 Q141 E142	Q134-N138 PolarHBondContact NE2-OD1 2.87Å; Q134-N138 WeakPolarHBondContact O-CB 3.26Å; Q134-N138 PolarHBondContact O-N 3.22Å; Q134-N138 PolarHBondContact O-ND2 2.85Å; Q134-N138 PolarHBondContact O-OD1 3.33Å; D135-N138 PolarHBondContact O-N 2.99Å; N138-Y140 VanDerWaalsContact C-N 3.29Å; N138-Y140 PolarHBondContact O-N 3.23Å; N138-Q141 PolarHBondContact O-N 3.41Å; N138-E142 PolarHBondContact O-N 2.81Å
139	L	94.7	Very high	95	Very high	44 Å²	44	63.7 Å²	63.7	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-57.1	-42.7	176.7	-74.6	172.7	0	0	0	112.3	D135 I136 Q141 E142 G145 L149 Y152	D135-L139 PolarHBondContact O-N 3.04Å; D135-L139 VanDerWaalsContact O-N 3.14Å; I136-L139 PolarHBondContact O-N 2.86Å; L139-Q141 PolarHBondContact O-N 2.88Å; L139-E142 PolarHBondContact O-N 3.37Å; L139-G145 WeakPolarHBondContact O-CA 3.42Å; L139-L149 HydrophobicContact CB-CD1 4.37Å; L139-L149 HydrophobicContact CD1-CD1 4.35Å; L139-Y152 HydrophobicContact CD1-CD1 3.93Å; L139-Y152 HydrophobicContact CD1-CD2 4.12Å; L139-Y152 HydrophobicContact CD1-CE1 4.37Å; L139-Y152 HydrophobicContact CD1-CG 3.79Å
140	Y	95.7	Very high	95	Very high	58 Å²	58	61.6 Å²	61.6	23%	0.227	32%	0.315	C	S	.	.	H	α-helix	trans	-70.6	-27.5	-179.2	179.8	-111.5	0	0	0	113.7	L125 L127 I136 L137 N138 E142 L149	L125-Y140 VanDerWaalsContact O-CE2 3.26Å; L125-Y140 WeakPolarHBondContact O-CE2 3.35Å; L125-Y140 VanDerWaalsContact O-CZ 3.28Å; L125-Y140 PolarHBondContact O-OH 3.29Å; L127-Y140 HydrophobicContact CB-CD1 4.43Å; L127-Y140 HydrophobicContact CB-CE1 4.08Å; L127-Y140 HydrophobicContact CD1-CD2 4.06Å; L127-Y140 HydrophobicContact CD1-CE2 4.22Å; L127-Y140 HydrophobicContact CD1-CG 4.29Å; L127-Y140 PolarHBondContact N-OH 2.89Å; I136-Y140 WeakPolarHBondContact O-CB 3.4Å; I136-Y140 PolarHBondContact O-N 2.82Å; L137-Y140 PolarHBondContact O-N 2.93Å; N138-Y140 VanDerWaalsContact C-N 3.29Å; N138-Y140 PolarHBondContact O-N 3.23Å; Y140-E142 VanDerWaalsContact C-N 3.35Å; Y140-L149 HydrophobicContact CD2-CD2 4.39Å
141	Q	94.6	Very high	94.9	Very high	138 Å²	138	63.9 Å²	63.9	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-81.8	-12.5	179.5	-75.3	173.3	10.4	0	0	113.7	L137 N138 L139	L137-Q141 WeakPolarHBondContact O-CB 3.33Å; L137-Q141 WeakPolarHBondContact O-CG 3.48Å; L137-Q141 PolarHBondContact O-N 2.81Å; N138-Q141 PolarHBondContact O-N 3.41Å; L139-Q141 PolarHBondContact O-N 2.88Å
142	E	94.6	Very high	94.8	Very high	87 Å²	87	64.9 Å²	64.9	41%	0.407	32%	0.323	S	S	.	.	S	Bend	trans	-66.6	160.4	175.2	-70.1	-173.6	-166.3	0	0	112.4	N138 L139 Y140 D144 G145 K148	N138-E142 PolarHBondContact O-N 2.81Å; L139-E142 PolarHBondContact O-N 3.37Å; Y140-E142 VanDerWaalsContact C-N 3.35Å; E142-D144 PolarHBondContact O-N 3.42Å; E142-G145 WeakPolarHBondContact O-CA 3.3Å; E142-G145 PolarHBondContact O-N 3.37Å; E142-K148 HydrophobicContact CB-CD 3.98Å; E142-K148 WeakPolarHBondContact OE2-CD 3.42Å; E142-K148 WeakPolarHBondContact OE2-CE 3.26Å; E142-K148 IonicContact OE2-NZ 3.76Å; E142-K148 PolarHBondContact OE2-NZ 3.32Å
143	P	93.2	Very high	94.8	Very high	111 Å²	111	64.2 Å²	64.2	72%	0.721	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	131.7	167.4	-22.8	33.4	0	0	0	110.5	G145 K148	P143-G145 PolarHBondContact O-N 2.9Å; P143-K148 WeakPolarHBondContact O-CE 3.48Å; P143-K148 PolarHBondContact O-NZ 2.82Å
144	D	91.5	Very high	94.8	Very high	85 Å²	85	61.9 Å²	61.9	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	31.6	-171.8	-151.5	10.8	0	0	0	113.6	E142 T146 R147 K148	E142-D144 PolarHBondContact O-N 3.42Å; D144-T146 VanDerWaalsContact C-N 3.26Å; D144-T146 PolarHBondContact O-N 3.07Å; D144-R147 PolarHBondContact O-N 2.86Å; D144-R147 VanDerWaalsContact OD1-CG 3.28Å; D144-R147 WeakPolarHBondContact OD1-CG 3.44Å; D144-R147 IonicContact OD1-NE 3.4Å; D144-R147 IonicContact OD1-NH1 3.67Å; D144-R147 VanDerWaalsContact OD2-CD 3.3Å; D144-R147 WeakPolarHBondContact OD2-CD 3.25Å; D144-R147 IonicContact OD2-CZ 3.86Å; D144-R147 IonicContact OD2-NE 3.37Å; D144-R147 IonicContact OD2-NH1 3.62Å; D144-R147 PolarHBondContact OD2-NH1 2.92Å; D144-K148 PolarHBondContact O-N 2.84Å
145	G	94.3	Very high	95	Very high	6 Å²	6	58.7 Å²	58.7	6%	0.062	29%	0.289	C	S	.	.	H	α-helix	trans	-57.5	-30.7	-174.1	0	0	0	0	0	114.9	L139 E142 P143 L149	L139-G145 WeakPolarHBondContact O-CA 3.42Å; E142-G145 WeakPolarHBondContact O-CA 3.3Å; E142-G145 PolarHBondContact O-N 3.37Å; P143-G145 PolarHBondContact O-N 2.9Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 PolarHBondContact O-N 2.83Å
146	T	94.4	Very high	95.1	Very high	21 Å²	21	57.3 Å²	57.3	13%	0.129	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-56.9	169.5	-61.4	0	0	0	0	110.4	L125 D144 K148 L149 L150	L125-T146 HydrophobicContact CB-CG2 3.64Å; D144-T146 VanDerWaalsContact C-N 3.26Å; D144-T146 PolarHBondContact O-N 3.07Å; T146-K148 PolarHBondContact O-N 2.96Å; T146-L149 PolarHBondContact O-N 2.84Å; T146-L150 HydrophobicContact CG2-CD1 3.88Å; T146-L150 HydrophobicContact CG2-CG 4.49Å; T146-L150 VanDerWaalsContact O-CG 3.24Å; T146-L150 WeakPolarHBondContact O-CG 3.23Å; T146-L150 PolarHBondContact O-N 2.95Å
147	R	94.2	Very high	95	Very high	147 Å²	147	57.4 Å²	57.4	56%	0.555	28%	0.283	S	S	*	.	H	α-helix	trans	-65.3	-41.1	-177.7	-67.7	-164.1	-170	134.3	-9.4	112.3	D144 L149 L150 N151	D144-R147 PolarHBondContact O-N 2.86Å; D144-R147 VanDerWaalsContact OD1-CG 3.28Å; D144-R147 WeakPolarHBondContact OD1-CG 3.44Å; D144-R147 IonicContact OD1-NE 3.4Å; D144-R147 IonicContact OD1-NH1 3.67Å; D144-R147 VanDerWaalsContact OD2-CD 3.3Å; D144-R147 WeakPolarHBondContact OD2-CD 3.25Å; D144-R147 IonicContact OD2-CZ 3.86Å; D144-R147 IonicContact OD2-NE 3.37Å; D144-R147 IonicContact OD2-NH1 3.62Å; D144-R147 PolarHBondContact OD2-NH1 2.92Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 3.04Å; R147-L150 PolarHBondContact O-N 3.21Å; R147-N151 WeakPolarHBondContact O-CB 3.2Å; R147-N151 PolarHBondContact O-N 3.13Å; R147-N151 PolarHBondContact O-OD1 3.11Å
148	K	94.6	Very high	94.7	Very high	80 Å²	80	59.1 Å²	59.1	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-44.6	177.2	-73.1	-178.7	173.6	175.4	0	111.9	E142 P143 D144 T146 N151 Y152	E142-K148 HydrophobicContact CB-CD 3.98Å; E142-K148 WeakPolarHBondContact OE2-CD 3.42Å; E142-K148 WeakPolarHBondContact OE2-CE 3.26Å; E142-K148 IonicContact OE2-NZ 3.76Å; E142-K148 PolarHBondContact OE2-NZ 3.32Å; P143-K148 WeakPolarHBondContact O-CE 3.48Å; P143-K148 PolarHBondContact O-NZ 2.82Å; D144-K148 PolarHBondContact O-N 2.84Å; T146-K148 PolarHBondContact O-N 2.96Å; K148-N151 PolarHBondContact O-N 2.63Å; K148-Y152 WeakPolarHBondContact O-CB 3.5Å; K148-Y152 PolarHBondContact O-N 2.69Å
149	L	96.3	Very high	94.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-46	178.2	-177.4	61	0	0	0	111.8	L112 L125 L127 I136 L139 Y140 G145 T146 R147 N151 Y152 M153	L112-L149 HydrophobicContact CD1-CD2 4.22Å; L125-L149 HydrophobicContact CD2-CD2 4.24Å; L127-L149 HydrophobicContact CD1-CD2 3.71Å; I136-L149 HydrophobicContact CD1-CD1 3.75Å; I136-L149 HydrophobicContact CG2-CD1 3.99Å; I136-L149 HydrophobicContact CG2-CD2 4.11Å; L139-L149 HydrophobicContact CB-CD1 4.37Å; L139-L149 HydrophobicContact CD1-CD1 4.35Å; Y140-L149 HydrophobicContact CD2-CD2 4.39Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 PolarHBondContact O-N 2.83Å; T146-L149 PolarHBondContact O-N 2.84Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 3.04Å; L149-N151 PolarHBondContact O-N 3.12Å; L149-Y152 PolarHBondContact O-N 2.82Å; L149-M153 HydrophobicContact CD1-CE 3.82Å; L149-M153 HydrophobicContact CD2-CE 4.11Å; L149-M153 HydrophobicContact CG-CE 3.82Å; L149-M153 HydrophobicContact CG-SD 4.29Å; L149-M153 WeakPolarHBondContact O-CG 3.23Å; L149-M153 PolarHBondContact O-N 3.43Å
150	L	96.2	Very high	93.2	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-42.2	177.9	-64.1	172.5	0	0	0	111.7	L116 G117 L122 L125 T146 R147 M153 L154	L116-L150 HydrophobicContact CB-CD2 4.34Å; L116-L150 VanDerWaalsContact O-CD2 3.28Å; L116-L150 WeakPolarHBondContact O-CD2 3.36Å; G117-L150 WeakPolarHBondContact CA-O 3.24Å; L122-L150 HydrophobicContact CB-CD1 3.9Å; L122-L150 HydrophobicContact CD2-CD1 4.06Å; L122-L150 HydrophobicContact CD2-CD2 4.32Å; L122-L150 HydrophobicContact CG-CD1 4.48Å; L125-L150 HydrophobicContact CD2-CD2 4.35Å; T146-L150 HydrophobicContact CG2-CD1 3.88Å; T146-L150 HydrophobicContact CG2-CG 4.49Å; T146-L150 VanDerWaalsContact O-CG 3.24Å; T146-L150 WeakPolarHBondContact O-CG 3.23Å; T146-L150 PolarHBondContact O-N 2.95Å; R147-L150 PolarHBondContact O-N 3.21Å; L150-M153 PolarHBondContact O-N 3.04Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.77Å
151	N	95.4	Very high	91.6	Very high	62 Å²	62	65.3 Å²	65.3	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-44.9	175.8	-70.4	-7.7	0	0	0	111.4	R147 K148 L149 M153 L154 D155 R199	R147-N151 WeakPolarHBondContact O-CB 3.2Å; R147-N151 PolarHBondContact O-N 3.13Å; R147-N151 PolarHBondContact O-OD1 3.11Å; K148-N151 PolarHBondContact O-N 2.63Å; L149-N151 PolarHBondContact O-N 3.12Å; N151-M153 VanDerWaalsContact C-N 3.31Å; N151-M153 PolarHBondContact O-N 3.36Å; N151-L154 PolarHBondContact O-N 2.8Å; N151-D155 WeakPolarHBondContact O-CB 3.27Å; N151-D155 VanDerWaalsContact O-CG 3.23Å; N151-D155 PolarHBondContact O-N 3.32Å; N151-R199 PolarHBondContact OD1-NH2 2.95Å
152	Y	96.2	Very high	90.2	Very high	88 Å²	88	63 Å²	63	35%	0.345	33%	0.333	S	S	.	.	H	α-helix	trans	-57.8	-45.2	174.7	171	-95.1	0	0	0	111.4	Y114 I136 L139 K148 L149 N156	Y114-Y152 HydrophobicContact CE1-CE1 4.16Å; I136-Y152 HydrophobicContact CD1-CE1 4.39Å; L139-Y152 HydrophobicContact CD1-CD1 3.93Å; L139-Y152 HydrophobicContact CD1-CD2 4.12Å; L139-Y152 HydrophobicContact CD1-CE1 4.37Å; L139-Y152 HydrophobicContact CD1-CG 3.79Å; K148-Y152 WeakPolarHBondContact O-CB 3.5Å; K148-Y152 PolarHBondContact O-N 2.69Å; L149-Y152 PolarHBondContact O-N 2.82Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.46Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.39Å; Y152-N156 WeakPolarHBondContact O-CB 3.07Å; Y152-N156 PolarHBondContact O-N 2.9Å; Y152-N156 PolarHBondContact O-ND2 2.96Å
153	M	96.9	Very high	89.4	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-44.2	177.1	-73.6	175	174.4	0	0	112.2	L112 Y114 L116 I136 L149 L150 N151 N156 L157	L112-M153 HydrophobicContact CB-CE 3.45Å; L112-M153 VanDerWaalsContact CB-CE 3.45Å; L112-M153 HydrophobicContact CD1-CE 3.58Å; L112-M153 HydrophobicContact CG-CE 4.14Å; Y114-M153 HydrophobicContact CD1-CB 4.38Å; Y114-M153 WeakPolarHBondContact CD1-O 3.46Å; L116-M153 HydrophobicContact CB-SD 3.89Å; I136-M153 HydrophobicContact CD1-CE 4.45Å; L149-M153 HydrophobicContact CD1-CE 3.82Å; L149-M153 HydrophobicContact CD2-CE 4.11Å; L149-M153 HydrophobicContact CG-CE 3.82Å; L149-M153 HydrophobicContact CG-SD 4.29Å; L149-M153 WeakPolarHBondContact O-CG 3.23Å; L149-M153 PolarHBondContact O-N 3.43Å; L150-M153 PolarHBondContact O-N 3.04Å; N151-M153 VanDerWaalsContact C-N 3.31Å; N151-M153 PolarHBondContact O-N 3.36Å; M153-N156 CarbonylContact O-C 3.56Å; M153-N156 PolarHBondContact O-N 3.08Å; M153-L157 PolarHBondContact O-N 2.93Å
154	L	96.1	Very high	89.2	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-42.9	179.5	-172.8	62.9	0	0	0	111.9	R118 L150 N151 N156 L157 P206	R118-L154 HydrophobicContact CG-CD1 4.18Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.77Å; N151-L154 PolarHBondContact O-N 2.8Å; L154-N156 PolarHBondContact O-N 3.42Å; L154-L157 HydrophobicContact CD1-CD2 4.37Å; L154-L157 WeakPolarHBondContact O-CB 3.3Å; L154-L157 PolarHBondContact O-N 2.96Å; L154-P206 HydrophobicContact CD1-CG 4.28Å; L154-P206 HydrophobicContact CG-CB 4.39Å; L154-P206 HydrophobicContact CG-CG 3.99Å
155	D	96.8	Very high	89.2	Confident	46 Å²	46	63.7 Å²	63.7	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-22.7	-178.1	-70.5	-3.4	0	0	0	112.3	N151 R199 P206 S207 W208	N151-D155 WeakPolarHBondContact O-CB 3.27Å; N151-D155 VanDerWaalsContact O-CG 3.23Å; N151-D155 PolarHBondContact O-N 3.32Å; D155-R199 IonicContact OD1-NH1 2.69Å; D155-R199 PolarHBondContact OD1-NH1 2.99Å; D155-R199 IonicContact OD2-NH1 2.75Å; D155-P206 WeakPolarHBondContact OD1-CA 3.21Å; D155-S207 PolarHBondContact OD1-N 3.11Å; D155-S207 PolarHBondContact OD1-OG 3.4Å; D155-S207 WeakPolarHBondContact OD2-CB 3.36Å; D155-S207 PolarHBondContact OD2-OG 2.79Å; D155-W208 PolarHBondContact O-NE1 3.09Å
156	N	95.8	Very high	89.1	Confident	89 Å²	89	72.4 Å²	72.4	48%	0.476	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	6.6	177.9	-70.3	-86.7	0	0	0	113.1	Y114 Y152 M153 L154 A158	Y114-N156 HydrophobicContact CD1-CB 3.71Å; Y114-N156 HydrophobicContact CE1-CB 3.41Å; Y114-N156 VanDerWaalsContact CE1-CB 3.41Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.46Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.39Å; Y152-N156 WeakPolarHBondContact O-CB 3.07Å; Y152-N156 PolarHBondContact O-N 2.9Å; Y152-N156 PolarHBondContact O-ND2 2.96Å; M153-N156 CarbonylContact O-C 3.56Å; M153-N156 PolarHBondContact O-N 3.08Å; L154-N156 PolarHBondContact O-N 3.42Å; N156-A158 PolarHBondContact O-N 2.96Å
157	L	93.9	Very high	89.2	Confident	23 Å²	23	73 Å²	73	12%	0.12	37%	0.368	C	S	.	.	S	Bend	trans	-66.8	126.6	175.9	-179.5	61.6	0	0	0	108.6	E115 R118 M153 L154 V159	E115-L157 HydrophobicContact CG-CD1 4.05Å; R118-L157 HydrophobicContact CG-CD2 4.22Å; M153-L157 PolarHBondContact O-N 2.93Å; L154-L157 HydrophobicContact CD1-CD2 4.37Å; L154-L157 WeakPolarHBondContact O-CB 3.3Å; L154-L157 PolarHBondContact O-N 2.96Å; L157-V159 PolarHBondContact O-N 3.45Å
158	A	87.6	Confident	89.3	Confident	74 Å²	74	69.4 Å²	69.4	61%	0.612	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-60.5	123.4	178.5	0	0	0	0	0	109.9	N156	N156-A158 PolarHBondContact O-N 2.96Å
159	V	82.8	Confident	89.5	Confident	56 Å²	56	70.6 Å²	70.6	34%	0.339	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-91.3	116.3	171.8	179	0	0	0	0	107.4	L157 W208 P517 H518	L157-V159 PolarHBondContact O-N 3.45Å; V159-W208 HydrophobicContact CG2-CH2 3.74Å; V159-W208 HydrophobicContact CG2-CZ2 3.55Å; V159-P517 HydrophobicContact CG1-CB 3.92Å; V159-P517 HydrophobicContact CG2-CB 4.05Å; V159-P517 HydrophobicContact CG2-CG 3.88Å; V159-H518 WeakPolarHBondContact CG1-NE2 3.16Å
160	H	76.2	Confident	89.5	Confident	126 Å²	126	73 Å²	73	58%	0.583	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-69.1	132.8	173.8	-64.2	-59.9	0	0	0	109.1	E162 H518	H160-E162 HydrophobicContact CB-CG 4.23Å; H160-E162 PolarHBondContact O-N 2.91Å; H160-H518 PolarHBondContact O-NE2 3.32Å; H160-H518 VanDerWaalsContact O-NE2 3.09Å
161	P	62.3	Low	89.5	Confident	122 Å²	122	77.2 Å²	77.2	79%	0.792	41%	0.405	S	S	*	.			trans	-76.3	57.8	174.4	34.4	-35.5	0	0	0	109.1
162	E	65.9	Low	89.5	Confident	90 Å²	90	77.7 Å²	77.7	42%	0.421	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-71.4	131.4	165.8	-66.9	-167.2	-175.2	0	0	107.7	H160 L164 N509	H160-E162 HydrophobicContact CB-CG 4.23Å; H160-E162 PolarHBondContact O-N 2.91Å; E162-L164 PolarHBondContact O-N 3.07Å; E162-N509 PolarHBondContact OE2-ND2 3.48Å; E162-N509 PolarHBondContact OE2-OD1 3.24Å; E162-N509 VanDerWaalsContact OE2-OD1 3.09Å
163	Q	77.6	Confident	89.2	Confident	183 Å²	183	77.2 Å²	77.2	86%	0.855	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-65.9	119.9	176.9	-71.7	177.8	-15.8	0	0	108.1	P165	Q163-P165 WeakPolarHBondContact O-CD 3.44Å; Q163-P165 VanDerWaalsContact O-N 3.15Å
164	L	87.6	Confident	88.7	Confident	74 Å²	74	85.5 Å²	85.5	39%	0.387	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-54.3	119.5	169.7	-176.4	72	0	0	0	107.6	E162 Q166 L501 W505 H518 I519	E162-L164 PolarHBondContact O-N 3.07Å; L164-Q166 PolarHBondContact O-N 3.17Å; L164-L501 HydrophobicContact CD1-CD1 3.92Å; L164-L501 HydrophobicContact CD1-CD2 4.04Å; L164-L501 HydrophobicContact CG-CD1 4.33Å; L164-W505 HydrophobicContact CD1-CE3 4.3Å; L164-W505 HydrophobicContact CD1-CH2 3.47Å; L164-W505 VanDerWaalsContact CD1-CH2 3.47Å; L164-W505 HydrophobicContact CD1-CZ2 4.06Å; L164-W505 HydrophobicContact CD1-CZ3 3.61Å; L164-H518 HydrophobicContact CD1-CB 4.48Å; L164-I519 HydrophobicContact CD1-CG1 4.23Å
165	P	91.9	Very high	87.9	Confident	40 Å²	40	90.4 Å²	90.4	26%	0.26	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-64.7	139.7	-177.6	24.3	-32.1	0	0	0	109.7	Q163 R167 L501 D502 W505	Q163-P165 WeakPolarHBondContact O-CD 3.44Å; Q163-P165 VanDerWaalsContact O-N 3.15Å; P165-R167 PolarHBondContact O-N 3.06Å; P165-L501 HydrophobicContact CG-CD1 3.84Å; P165-D502 HydrophobicContact CG-CB 4.35Å; P165-W505 HydrophobicContact CG-CB 3.93Å; P165-W505 HydrophobicContact CG-CD2 3.97Å; P165-W505 HydrophobicContact CG-CG 3.65Å
166	Q	92.4	Very high	86.7	Confident	189 Å²	189	92 Å²	92	88%	0.883	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-64.7	136	174.4	-70.7	-171.1	-13.3	0	0	110	L164	L164-Q166 PolarHBondContact O-N 3.17Å
167	R	96.6	Very high	85.5	Confident	35 Å²	35	95.7 Å²	95.7	13%	0.132	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-69.5	135.4	176.1	-69.7	170.9	59.7	-166.9	0.8	110	P165 E222 L498 G499 L501 S525	P165-R167 PolarHBondContact O-N 3.06Å; R167-E222 IonicContact NH1-OE1 3.67Å; R167-E222 PolarHBondContact NH1-OE1 3.47Å; R167-L498 HydrophobicContact CB-CD1 3.69Å; R167-L498 HydrophobicContact CB-CD2 4.34Å; R167-L498 HydrophobicContact CB-CG 3.91Å; R167-L498 PolarHBondContact NH2-O 3.4Å; R167-G499 PolarHBondContact NE-O 3.36Å; R167-G499 PolarHBondContact NH2-O 3.07Å; R167-G499 VanDerWaalsContact NH2-O 3.07Å; R167-L501 HydrophobicContact CG-CB 4.44Å; R167-L501 HydrophobicContact CG-CD1 4.4Å; R167-S525 VanDerWaalsContact CZ-O 3.26Å; R167-S525 PolarHBondContact NH1-O 3.36Å; R167-S525 PolarHBondContact NH1-OG 2.9Å; R167-S525 PolarHBondContact NH2-O 2.66Å
168	P	97.1	Very high	84.3	Confident	71 Å²	71	102.6 Å²	102.6	46%	0.461	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-74.9	141.5	-176.5	30.4	-33.9	0	0	0	111.3	G499 P500	P168-G499 WeakPolarHBondContact O-CA 3.09Å; P168-G499 PolarHBondContact O-N 3.21Å; P168-P500 WeakPolarHBondContact CD-O 3.42Å
169	W	97.7	Very high	83.5	Confident	105 Å²	105	100.1 Å²	100.1	40%	0.398	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.1	167.3	-174.8	-99.3	0	0	0	110.5	G496 L498 L527 Q529	W169-G496 VanDerWaalsContact CZ2-C 3.4Å; W169-L498 HydrophobicContact CE3-CB 4.38Å; W169-L498 HydrophobicContact CZ3-CB 4.44Å; W169-L527 HydrophobicContact CZ3-CD2 4.04Å; W169-L527 HydrophobicContact CZ3-CG 4.14Å; W169-Q529 HydrophobicContact CH2-CB 3.74Å; W169-Q529 HydrophobicContact CZ2-CB 3.67Å
170	I	97	Very high	83.3	Confident	49 Å²	49	99.5 Å²	99.5	25%	0.251	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	179	-55.4	175.7	0	0	0	108.3	L172 L468 G496 V497	I170-L172 HydrophobicContact CG2-CD2 4.1Å; I170-L468 HydrophobicContact CD1-CD2 4.18Å; I170-L468 HydrophobicContact CG2-CD2 4.31Å; I170-G496 CarbonylContact O-C 3.56Å; I170-G496 WeakPolarHBondContact O-CA 3.35Å; I170-V497 HydrophobicContact CB-CG2 4.13Å; I170-V497 PolarHBondContact N-O 3.12Å; I170-V497 PolarHBondContact O-N 3.04Å
171	T	96.6	Very high	83.8	Confident	94 Å²	94	93.5 Å²	93.5	58%	0.577	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.7	174.8	-57.5	0	0	0	0	109.5
172	L	94.4	Very high	85.2	Confident	72 Å²	72	87.7 Å²	87.7	38%	0.377	43%	0.43	S	S	.	.			trans	-97.4	-34.4	-179.2	-59.8	178.9	0	0	0	112.2	I170 L468 A494 V495 V497	I170-L172 HydrophobicContact CG2-CD2 4.1Å; L172-L468 HydrophobicContact CD2-CD1 3.96Å; L172-L468 HydrophobicContact CD2-CD2 4.45Å; L172-A494 HydrophobicContact CD1-CB 4.04Å; L172-V495 PolarHBondContact N-O 3.49Å; L172-V497 HydrophobicContact CD1-CG1 4.01Å; L172-V497 HydrophobicContact CD1-CG2 4.35Å
173	K	91.2	Very high	86.6	Confident	79 Å²	79	84.2 Å²	84.2	34%	0.343	42%	0.417	S	S	.	.	S	Bend	trans	-146.7	137.4	-177.2	-176.3	-162.9	167.8	-159.9	0	108.9	S493 V495 E531	K173-S493 PolarHBondContact NZ-OG 3.4Å; K173-S493 VanDerWaalsContact NZ-OG 3.13Å; K173-V495 PolarHBondContact N-O 3.31Å; K173-V495 VanDerWaalsContact N-O 3.08Å; K173-V495 WeakPolarHBondContact O-CG1 3.39Å; K173-E531 IonicContact NZ-OE2 2.94Å; K173-E531 PolarHBondContact NZ-OE2 3.44Å
174	E	86.3	Confident	87.6	Confident	174 Å²	174	75.6 Å²	75.6	81%	0.813	38%	0.376	S	S	*	.			trans	-70.2	140.5	168.8	-68.6	-168.3	172.3	0	0	110.7	D176	E174-D176 PolarHBondContact O-N 2.93Å
175	R	78.9	Confident	88.1	Confident	107 Å²	107	73 Å²	73	40%	0.404	36%	0.364	S	S	.	.			trans	-76.8	127.2	-177.9	-162.9	179.4	179.9	-167.6	-4.4	110.6	Q177 A183 E531	R175-Q177 PolarHBondContact O-N 3.48Å; R175-A183 VanDerWaalsContact NH2-CB 3.32Å; R175-E531 WeakPolarHBondContact CG-OE1 3.46Å; R175-E531 IonicContact NE-OE1 2.79Å
176	D	71.8	Confident	88.4	Confident	80 Å²	80	71.1 Å²	71.1	43%	0.428	35%	0.351	S	S	.	.			trans	-81	97.9	173.1	-178.5	3.9	0	0	0	110	E174 M178 S179	E174-D176 PolarHBondContact O-N 2.93Å; D176-M178 PolarHBondContact O-N 3.32Å; D176-M178 WeakPolarHBondContact OD1-CB 3.5Å; D176-M178 PolarHBondContact OD1-N 3.36Å; D176-S179 PolarHBondContact O-N 2.89Å; D176-S179 PolarHBondContact O-OG 3.13Å
177	Q	69.9	Low	88.7	Confident	167 Å²	167	62.1 Å²	62.1	78%	0.78	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.5	-180	-62.9	-174.6	5.8	0	0	113.7	R175	R175-Q177 PolarHBondContact O-N 3.48Å
178	M	68.9	Low	88.9	Confident	168 Å²	168	60.5 Å²	60.5	83%	0.828	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-20.4	-179.5	-61.6	-60.8	-62.5	0	0	112.5	D176	D176-M178 PolarHBondContact O-N 3.32Å; D176-M178 WeakPolarHBondContact OD1-CB 3.5Å; D176-M178 PolarHBondContact OD1-N 3.36Å
179	S	70.3	Confident	88.9	Confident	21 Å²	21	57.4 Å²	57.4	15%	0.147	28%	0.282	C	S	.	.	S	Bend	trans	-79.8	138	177.7	70.9	0	0	0	0	111	D176 T181 S335	D176-S179 PolarHBondContact O-N 2.89Å; D176-S179 PolarHBondContact O-OG 3.13Å; S179-T181 PolarHBondContact O-N 2.82Å; S179-T181 WeakPolarHBondContact OG-CG2 2.78Å; S179-S335 PolarHBondContact O-OG 3.08Å
180	P	79.4	Confident	89	Confident	43 Å²	43	52.4 Å²	52.4	28%	0.279	26%	0.263	S	S	.	.			trans	-77.8	71.3	178.5	32.9	-34.9	0	0	0	110.1	F334 S335 P534	P180-F334 WeakPolarHBondContact O-CD1 3.28Å; P180-S335 WeakPolarHBondContact CA-OG 3.37Å; P180-P534 HydrophobicContact CG-CG 4.34Å; P180-P534 WeakPolarHBondContact O-CD 3.36Å; P180-P534 WeakPolarHBondContact O-CG 3.48Å
181	T	87.4	Confident	89.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	25%	0.252	C	S	.	.			trans	-109.3	151.1	-177	61.1	0	0	0	0	111.9	S179 S335 E531 L532 H533	S179-T181 PolarHBondContact O-N 2.82Å; S179-T181 WeakPolarHBondContact OG-CG2 2.78Å; T181-S335 PolarHBondContact N-OG 3.14Å; T181-S335 PolarHBondContact O-N 2.87Å; T181-S335 PolarHBondContact O-OG 2.9Å; T181-E531 VanDerWaalsContact CB-CG 3.43Å; T181-E531 HydrophobicContact CG2-CG 3.72Å; T181-E531 WeakPolarHBondContact OG1-CG 3.39Å; T181-E531 PolarHBondContact OG1-OE1 3.09Å; T181-L532 VanDerWaalsContact CA-O 3.32Å; T181-L532 WeakPolarHBondContact CA-O 3.13Å; T181-L532 WeakPolarHBondContact CB-O 3.37Å; T181-H533 VanDerWaalsContact CG2-CD2 3.46Å; T181-H533 WeakPolarHBondContact CG2-CD2 3.39Å
182	A	91.5	Very high	89.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.1	169.9	0	0	0	0	0	109.3	V329 M333 F334 L532	A182-V329 HydrophobicContact CB-CG1 4.49Å; A182-M333 HydrophobicContact CB-CB 3.89Å; A182-F334 HydrophobicContact CB-CD1 3.9Å; A182-F334 HydrophobicContact CB-CD2 4.11Å; A182-F334 HydrophobicContact CB-CE1 3.73Å; A182-F334 HydrophobicContact CB-CE2 3.94Å; A182-F334 HydrophobicContact CB-CG 4.09Å; A182-F334 HydrophobicContact CB-CZ 3.74Å; A182-L532 HydrophobicContact CB-CB 4.48Å; A182-L532 PolarHBondContact N-O 3.5Å; A182-L532 PolarHBondContact O-N 3.49Å
183	A	94.2	Very high	89.4	Confident	17 Å²	17	42.3 Å²	42.3	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.7	174.2	0	0	0	0	0	110.7	R175 L530	R175-A183 VanDerWaalsContact NH2-CB 3.32Å; A183-L530 VanDerWaalsContact CA-O 3.29Å; A183-L530 WeakPolarHBondContact CA-O 3.38Å
184	F	97.9	Very high	89.7	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.5	175.6	61.9	-86.1	0	0	0	111.1	V186 D229 I230 F287 M333 L346 V400 M492 Q529 L530 L532	F184-V186 HydrophobicContact CD2-CG2 3.74Å; F184-V186 HydrophobicContact CE2-CG2 3.49Å; F184-V186 VanDerWaalsContact CE2-CG2 3.49Å; F184-D229 WeakPolarHBondContact CA-OD2 3.17Å; F184-D229 HydrophobicContact CB-CB 4.06Å; F184-D229 WeakPolarHBondContact CB-OD2 3.33Å; F184-I230 HydrophobicContact CD2-CD1 3.86Å; F184-I230 HydrophobicContact CD2-CG1 4.47Å; F184-I230 HydrophobicContact CE2-CD1 3.8Å; F184-F287 HydrophobicContact CB-CZ 4.01Å; F184-F287 HydrophobicContact CD1-CZ 4.41Å; F184-F287 HydrophobicContact CD2-CZ 4.14Å; F184-F287 AromaticContact CG-CZ 3.94Å; F184-F287 HydrophobicContact CG-CZ 3.94Å; F184-M333 HydrophobicContact CB-CE 3.87Å; F184-L346 HydrophobicContact CE1-CD2 4.32Å; F184-L346 HydrophobicContact CE2-CD2 3.99Å; F184-L346 HydrophobicContact CZ-CD1 4.39Å; F184-L346 HydrophobicContact CZ-CD2 3.68Å; F184-V400 HydrophobicContact CE2-CG2 4.36Å; F184-V400 HydrophobicContact CZ-CG2 4.31Å; F184-M492 HydrophobicContact CZ-SD 4.01Å; F184-Q529 WeakPolarHBondContact O-CA 3.13Å; F184-L530 HydrophobicContact CE1-CB 4.49Å; F184-L530 HydrophobicContact CE2-CB 4.38Å; F184-L530 HydrophobicContact CE2-CD1 4.27Å; F184-L530 HydrophobicContact CZ-CB 4.2Å; F184-L530 HydrophobicContact CZ-CD1 4.36Å; F184-L530 PolarHBondContact N-O 3.08Å; F184-L530 PolarHBondContact O-N 3.19Å; F184-L532 HydrophobicContact CE1-CB 4.01Å
185	T	98.8	Very high	90.1	Very high	21 Å²	21	38.6 Å²	38.6	13%	0.129	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.4	177.8	46.1	0	0	0	0	112	A228 D229 I230 A528 Q529	T185-A228 VanDerWaalsContact OG1-CA 3.31Å; T185-A228 WeakPolarHBondContact OG1-CA 3.28Å; T185-D229 PolarHBondContact N-OD2 3.02Å; T185-D229 VanDerWaalsContact N-OD2 3.12Å; T185-D229 WeakPolarHBondContact O-CB 3.42Å; T185-D229 PolarHBondContact O-N 3.42Å; T185-D229 VanDerWaalsContact O-N 3.08Å; T185-D229 PolarHBondContact OG1-N 3.18Å; T185-I230 PolarHBondContact O-N 3.18Å; T185-A528 CarbonylContact C-O 3.48Å; T185-A528 VanDerWaalsContact CA-O 3.28Å; T185-A528 WeakPolarHBondContact CA-O 3.35Å; T185-Q529 HydrophobicContact CG2-CB 4.06Å; T185-Q529 HydrophobicContact CG2-CG 4.29Å
186	V	98.9	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.7	179	-175.4	0	0	0	0	108.9	F184 I230 V400 C402 I485 L527 A528 L530	F184-V186 HydrophobicContact CD2-CG2 3.74Å; F184-V186 HydrophobicContact CE2-CG2 3.49Å; F184-V186 VanDerWaalsContact CE2-CG2 3.49Å; V186-I230 CarbonylContact C-O 3.49Å; V186-I230 WeakPolarHBondContact CA-O 3.31Å; V186-I230 HydrophobicContact CG2-CB 4.42Å; V186-V400 HydrophobicContact CG1-CG1 3.84Å; V186-V400 HydrophobicContact CG2-CG1 4.12Å; V186-C402 VanDerWaalsContact CG1-SG 3.58Å; V186-I485 HydrophobicContact CG1-CD1 4.33Å; V186-I485 HydrophobicContact CG1-CG2 4.25Å; V186-I485 WeakPolarHBondContact O-CD1 3.28Å; V186-L527 WeakPolarHBondContact O-CA 3.42Å; V186-A528 PolarHBondContact N-O 2.77Å; V186-A528 PolarHBondContact O-N 3.21Å; V186-L530 HydrophobicContact CG2-CD1 3.92Å; V186-L530 HydrophobicContact CG2-CG 4.4Å
187	M	98.9	Very high	92.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.6	171.8	179.9	178.7	-177.3	0	0	110.7	Y189 E222 I223 C226 A228 I230 I231 S232 L526 L527	M187-Y189 HydrophobicContact CE-CD1 3.53Å; M187-Y189 HydrophobicContact CE-CE1 4.4Å; M187-Y189 HydrophobicContact CE-CG 3.83Å; M187-E222 HydrophobicContact CE-CG 4.19Å; M187-I223 HydrophobicContact CE-CB 4.36Å; M187-I223 HydrophobicContact CE-CG1 3.71Å; M187-I223 HydrophobicContact SD-CG1 4.28Å; M187-C226 HydrophobicContact SD-CB 4.04Å; M187-A228 HydrophobicContact CB-CB 3.53Å; M187-I230 PolarHBondContact N-O 3.38Å; M187-I231 HydrophobicContact CB-CB 4.49Å; M187-I231 HydrophobicContact CB-CG1 4.3Å; M187-I231 HydrophobicContact CB-CG2 4.31Å; M187-I231 HydrophobicContact CG-CG2 4.33Å; M187-I231 HydrophobicContact SD-CG1 4.47Å; M187-I231 HydrophobicContact SD-CG2 4.03Å; M187-S232 PolarHBondContact O-N 3.15Å; M187-L526 CarbonylContact C-O 3.51Å; M187-L526 WeakPolarHBondContact CA-O 3.35Å; M187-L527 HydrophobicContact CB-CD1 4.21Å
188	C	98.9	Very high	93.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.7	167.6	-177.1	0	0	0	0	108.8	S232 Q234 C402 I485 L526	C188-S232 WeakPolarHBondContact CA-O 3.38Å; C188-Q234 PolarHBondContact SG-NE2 3.5Å; C188-Q234 VanDerWaalsContact SG-NE2 3.4Å; C188-C402 HydrophobicContact CB-CB 3.96Å; C188-I485 HydrophobicContact CB-CD1 4.01Å; C188-I485 HydrophobicContact CB-CG1 3.64Å; C188-L526 HydrophobicContact CB-CB 4.28Å; C188-L526 PolarHBondContact N-O 3.03Å; C188-L526 PolarHBondContact O-N 3.36Å
189	Y	98.9	Very high	94.6	Very high	6 Å²	6	21.9 Å²	21.9	2%	0.024	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	118.1	-174.1	-172.6	-145.6	0	0	0	113.8	M187 V191 I219 E222 I223 S232 L233 Q234 S521 H523	M187-Y189 HydrophobicContact CE-CD1 3.53Å; M187-Y189 HydrophobicContact CE-CE1 4.4Å; M187-Y189 HydrophobicContact CE-CG 3.83Å; Y189-V191 HydrophobicContact CD1-CG1 3.75Å; Y189-V191 HydrophobicContact CE1-CG1 3.99Å; Y189-V191 HydrophobicContact CG-CG1 4.38Å; Y189-I219 HydrophobicContact CE1-CG2 4.36Å; Y189-E222 HydrophobicContact CE1-CB 4.47Å; Y189-E222 HydrophobicContact CE1-CG 4.1Å; Y189-I223 HydrophobicContact CD1-CG1 4.28Å; Y189-S232 PolarHBondContact N-O 3.22Å; Y189-L233 HydrophobicContact CD1-CD2 4.35Å; Y189-L233 VanDerWaalsContact O-CA 3.3Å; Y189-L233 WeakPolarHBondContact O-CA 3.25Å; Y189-Q234 PolarHBondContact O-N 2.86Å; Y189-Q234 VanDerWaalsContact O-N 3.11Å; Y189-Q234 PolarHBondContact O-OE1 3.27Å; Y189-S521 WeakPolarHBondContact OH-CB 3.28Å; Y189-H523 WeakPolarHBondContact CE2-O 3.1Å
190	N	98.9	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.1	165.6	-176.7	-22.1	0	0	0	108.8	L192 Q234 E235 D404 S521 H523	N190-L192 PolarHBondContact OD1-N 2.84Å; N190-Q234 HydrophobicContact CB-CB 4.14Å; N190-Q234 VanDerWaalsContact N-OE1 3.11Å; N190-E235 PolarHBondContact ND2-OE1 3.42Å; N190-E235 VanDerWaalsContact ND2-OE1 3.08Å; N190-E235 WeakPolarHBondContact OD1-CB 3.39Å; N190-E235 WeakPolarHBondContact OD1-CG 3.35Å; N190-E235 PolarHBondContact OD1-OE1 2.85Å; N190-D404 PolarHBondContact ND2-OD2 2.81Å; N190-S521 PolarHBondContact O-OG 2.89Å; N190-H523 HydrophobicContact CB-CB 4.13Å
191	V	98.8	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.149	C	C	.	.			trans	-89.6	-2.3	-171.4	-57.3	0	0	0	0	114.3	Y189 R215 I219 L233 Q234 E235 F245	Y189-V191 HydrophobicContact CD1-CG1 3.75Å; Y189-V191 HydrophobicContact CE1-CG1 3.99Å; Y189-V191 HydrophobicContact CG-CG1 4.38Å; V191-R215 PolarHBondContact O-NH1 3.49Å; V191-I219 HydrophobicContact CB-CD1 4.2Å; V191-I219 HydrophobicContact CB-CG1 4.47Å; V191-I219 HydrophobicContact CB-CG2 4.03Å; V191-I219 HydrophobicContact CG1-CG2 3.81Å; V191-I219 WeakPolarHBondContact O-CD1 3.18Å; V191-L233 HydrophobicContact CG1-CD1 4.37Å; V191-L233 HydrophobicContact CG1-CD2 4.16Å; V191-Q234 PolarHBondContact N-O 2.83Å; V191-E235 WeakPolarHBondContact CG2-O 3.43Å; V191-F245 HydrophobicContact CG2-CZ 4.25Å
192	L	98.8	Very high	96.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.152	C	C	.	.			trans	55	99.4	-171.3	-179.7	63.3	0	0	0	112.6	N190 A197 Y202 R215 E235 P515 D522	N190-L192 PolarHBondContact OD1-N 2.84Å; L192-A197 HydrophobicContact CD2-CB 4.06Å; L192-A197 HydrophobicContact CG-CB 4.17Å; L192-Y202 HydrophobicContact CD1-CE2 3.96Å; L192-Y202 VanDerWaalsContact CD1-OH 3.23Å; L192-Y202 WeakPolarHBondContact CD1-OH 3.41Å; L192-Y202 HydrophobicContact CD2-CD2 4.48Å; L192-Y202 HydrophobicContact CD2-CE1 4.44Å; L192-Y202 HydrophobicContact CD2-CE2 3.84Å; L192-R215 VanDerWaalsContact O-CZ 3.3Å; L192-R215 PolarHBondContact O-NH1 2.62Å; L192-R215 PolarHBondContact O-NH2 3.35Å; L192-E235 WeakPolarHBondContact CA-OE2 3.37Å; L192-P515 HydrophobicContact CD2-CG 3.25Å; L192-D522 WeakPolarHBondContact CB-OD1 3.44Å
193	C	97.9	Very high	96.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	16%	0.156	C	C	.	.			trans	-64.2	154.6	179.8	63.7	0	0	0	0	112.1	K195 Y196 A197 E235 E237 D276	C193-K195 PolarHBondContact O-N 3.48Å; C193-Y196 PolarHBondContact O-N 2.89Å; C193-Y196 VanDerWaalsContact O-N 3.11Å; C193-Y196 WeakPolarHBondContact SG-CD2 3.17Å; C193-A197 PolarHBondContact O-N 3.13Å; C193-E235 HydrophobicContact CB-CB 4.07Å; C193-E235 WeakPolarHBondContact CB-O 3.07Å; C193-E235 PolarHBondContact N-OE2 3.46Å; C193-E235 PolarHBondContact SG-OE2 2.9Å; C193-E235 VanDerWaalsContact SG-OE2 3.34Å; C193-E237 HydrophobicContact CB-CG 3.72Å; C193-D276 HydrophobicContact CB-CB 4.12Å
194	D	97.8	Very high	96.9	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-37.2	-177.8	-172	54.4	0	0	0	111.5	Y196 A197 W212 E237	D194-Y196 PolarHBondContact O-N 2.9Å; D194-Y196 VanDerWaalsContact O-N 3.12Å; D194-A197 PolarHBondContact O-N 3.27Å; D194-W212 HydrophobicContact CB-CB 4.04Å; D194-W212 HydrophobicContact CB-CD2 4.46Å; D194-W212 HydrophobicContact CB-CE3 4.34Å; D194-W212 HydrophobicContact CB-CG 4.36Å; D194-W212 WeakPolarHBondContact OD1-CB 2.94Å; D194-E237 WeakPolarHBondContact CB-OE1 3.46Å; D194-E237 PolarHBondContact N-OE1 3.03Å
195	K	95.9	Very high	96.9	Very high	110 Å²	110	31.8 Å²	31.8	48%	0.478	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-34	175.7	-173.5	173.6	-176.2	171.5	0	114.1	C193 E237	C193-K195 PolarHBondContact O-N 3.48Å; K195-E237 PolarHBondContact N-OE1 2.54Å; K195-E237 VanDerWaalsContact N-OE1 3.11Å
196	Y	96.5	Very high	96.8	Very high	69 Å²	69	31.2 Å²	31.2	27%	0.271	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-18.9	-178	-60.1	-33.5	0	0	0	113.3	C193 D194 T198 L201 Y202 E235 R263	C193-Y196 PolarHBondContact O-N 2.89Å; C193-Y196 VanDerWaalsContact O-N 3.11Å; C193-Y196 WeakPolarHBondContact SG-CD2 3.17Å; D194-Y196 PolarHBondContact O-N 2.9Å; D194-Y196 VanDerWaalsContact O-N 3.12Å; Y196-T198 PolarHBondContact O-N 2.97Å; Y196-L201 WeakPolarHBondContact O-CD1 3.32Å; Y196-Y202 WeakPolarHBondContact O-CE2 3.2Å; Y196-E235 WeakPolarHBondContact CD2-OE2 3.3Å; Y196-R263 PolarHBondContact OH-NH2 2.76Å
197	A	98	Very high	96.7	Very high	10 Å²	10	33.5 Å²	33.5	8%	0.083	17%	0.167	C	C	.	.			trans	-71.2	60.8	178.5	0	0	0	0	0	114	L192 C193 D194 L210	L192-A197 HydrophobicContact CD2-CB 4.06Å; L192-A197 HydrophobicContact CG-CB 4.17Å; C193-A197 PolarHBondContact O-N 3.13Å; D194-A197 PolarHBondContact O-N 3.27Å; A197-L210 HydrophobicContact CB-CD2 4.47Å
198	T	96.5	Very high	96.6	Very high	45 Å²	45	37.7 Å²	37.7	28%	0.276	18%	0.183	S	C	.	.			trans	-105	153.3	-173.2	68.9	0	0	0	0	112.6	Y196 Q200 L201 Y202	Y196-T198 PolarHBondContact O-N 2.97Å; T198-Q200 VanDerWaalsContact CB-OE1 3.32Å; T198-Q200 PolarHBondContact O-N 2.91Å; T198-L201 PolarHBondContact O-N 2.88Å; T198-L201 VanDerWaalsContact O-N 3.13Å; T198-L201 PolarHBondContact OG1-N 3.02Å; T198-Y202 PolarHBondContact O-N 3.39Å
199	R	91.6	Very high	96.5	Very high	47 Å²	47	37.7 Å²	37.7	18%	0.177	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.5	173.9	-70.4	-64.5	-63.1	-114.2	11.1	113.4	N151 D155 G203 C205 S207 L210	N151-R199 PolarHBondContact OD1-NH2 2.95Å; D155-R199 IonicContact OD1-NH1 2.69Å; D155-R199 PolarHBondContact OD1-NH1 2.99Å; D155-R199 IonicContact OD2-NH1 2.75Å; R199-G203 PolarHBondContact NH2-O 3.36Å; R199-G203 VanDerWaalsContact NH2-O 3.12Å; R199-G203 WeakPolarHBondContact O-CA 3.5Å; R199-G203 PolarHBondContact O-N 2.84Å; R199-C205 WeakPolarHBondContact CD-O 3.15Å; R199-C205 PolarHBondContact NE-O 2.75Å; R199-S207 PolarHBondContact NH1-OG 3.01Å; R199-L210 HydrophobicContact CG-CD1 4.17Å
200	Q	92	Very high	96.5	Very high	138 Å²	138	37.8 Å²	37.8	65%	0.645	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-39.1	174.6	-69	78.6	3	0	0	111.3	M1 T198	M1-Q200 WeakPolarHBondContact CE-O 3.37Å; T198-Q200 VanDerWaalsContact CB-OE1 3.32Å; T198-Q200 PolarHBondContact O-N 2.91Å
201	L	94.4	Very high	96.5	Very high	102 Å²	102	41.6 Å²	41.6	53%	0.534	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-38.3	177.9	-68.2	175	0	0	0	112	Y196 T198	Y196-L201 WeakPolarHBondContact O-CD1 3.32Å; T198-L201 PolarHBondContact O-N 2.88Å; T198-L201 VanDerWaalsContact O-N 3.13Å; T198-L201 PolarHBondContact OG1-N 3.02Å
202	Y	96.9	Very high	96.5	Very high	16 Å²	16	42.3 Å²	42.3	6%	0.063	21%	0.207	C	C	.	.			trans	-117.8	51.2	-173	-52.2	-76	0	0	0	111	L192 Y196 T198 Y204 C205 L210 T475 C514 P515 D522	L192-Y202 HydrophobicContact CD1-CE2 3.96Å; L192-Y202 VanDerWaalsContact CD1-OH 3.23Å; L192-Y202 WeakPolarHBondContact CD1-OH 3.41Å; L192-Y202 HydrophobicContact CD2-CD2 4.48Å; L192-Y202 HydrophobicContact CD2-CE1 4.44Å; L192-Y202 HydrophobicContact CD2-CE2 3.84Å; Y196-Y202 WeakPolarHBondContact O-CE2 3.2Å; T198-Y202 PolarHBondContact O-N 3.39Å; Y202-Y204 HydrophobicContact CD1-CE2 4.42Å; Y202-Y204 AromaticContact CD1-CZ 3.96Å; Y202-Y204 WeakPolarHBondContact CD1-OH 3.19Å; Y202-Y204 PolarHBondContact O-N 3.1Å; Y202-Y204 VanDerWaalsContact O-N 3.11Å; Y202-C205 PolarHBondContact O-N 3.21Å; Y202-L210 HydrophobicContact CD2-CD2 4.27Å; Y202-L210 HydrophobicContact CG-CD2 4.21Å; Y202-T475 HydrophobicContact CE1-CG2 4.04Å; Y202-C514 WeakPolarHBondContact CD1-O 3.33Å; Y202-P515 HydrophobicContact CD1-CG 4.46Å; Y202-D522 HydrophobicContact CE1-CB 3.79Å; Y202-D522 VanDerWaalsContact OH-CG 3.28Å; Y202-D522 PolarHBondContact OH-OD2 3.13Å
203	G	94.5	Very high	96.5	Very high	9 Å²	9	47.1 Å²	47.1	9%	0.093	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.3	-174.7	0	0	0	0	0	114.8	F120 R199 C205	F120-G203 VanDerWaalsContact CB-C 3.45Å; F120-G203 WeakPolarHBondContact CB-O 3.48Å; R199-G203 PolarHBondContact NH2-O 3.36Å; R199-G203 VanDerWaalsContact NH2-O 3.12Å; R199-G203 WeakPolarHBondContact O-CA 3.5Å; R199-G203 PolarHBondContact O-N 2.84Å; G203-C205 VanDerWaalsContact C-N 3.34Å
204	Y	94.4	Very high	96.5	Very high	26 Å²	26	51.2 Å²	51.2	10%	0.102	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.8	174.5	47.6	-94.8	0	0	0	114.3	F120 Y202 T475 Y476 C514	F120-Y204 HydrophobicContact CD1-CD1 4.32Å; F120-Y204 HydrophobicContact CD1-CG 4.47Å; F120-Y204 HydrophobicContact CD2-CD1 4.46Å; F120-Y204 HydrophobicContact CE1-CD1 4.01Å; F120-Y204 HydrophobicContact CE1-CG 4.37Å; F120-Y204 HydrophobicContact CE2-CD1 4.12Å; F120-Y204 AromaticContact CZ-CD1 3.92Å; F120-Y204 HydrophobicContact CZ-CD1 3.92Å; Y202-Y204 HydrophobicContact CD1-CE2 4.42Å; Y202-Y204 AromaticContact CD1-CZ 3.96Å; Y202-Y204 WeakPolarHBondContact CD1-OH 3.19Å; Y202-Y204 PolarHBondContact O-N 3.1Å; Y202-Y204 VanDerWaalsContact O-N 3.11Å; Y204-T475 WeakPolarHBondContact OH-CA 3.37Å; Y204-T475 WeakPolarHBondContact OH-CB 3.2Å; Y204-Y476 PolarHBondContact OH-N 2.84Å; Y204-C514 PolarHBondContact OH-O 3.29Å
205	C	96.9	Very high	96.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	23%	0.229	C	C	.	.	S	Bend	trans	-98.6	131.7	179.6	-169.1	0	0	0	0	110.6	R199 Y202 G203 L210 P515	R199-C205 WeakPolarHBondContact CD-O 3.15Å; R199-C205 PolarHBondContact NE-O 2.75Å; Y202-C205 PolarHBondContact O-N 3.21Å; G203-C205 VanDerWaalsContact C-N 3.34Å; C205-L210 HydrophobicContact CB-CD1 4.23Å; C205-L210 HydrophobicContact CB-CD2 3.83Å; C205-L210 HydrophobicContact CB-CG 3.85Å; C205-P515 WeakPolarHBondContact CB-O 3.4Å; C205-P515 PolarHBondContact SG-O 3.21Å; C205-P515 VanDerWaalsContact SG-O 3.33Å
206	P	96.8	Very high	96.6	Very high	9 Å²	9	45 Å²	45	6%	0.058	22%	0.215	C	C	.	.			trans	-55.6	145.7	174	-23	31	0	0	0	112.7	L154 D155 W208 A209 L210 P517	L154-P206 HydrophobicContact CD1-CG 4.28Å; L154-P206 HydrophobicContact CG-CB 4.39Å; L154-P206 HydrophobicContact CG-CG 3.99Å; D155-P206 WeakPolarHBondContact OD1-CA 3.21Å; P206-W208 VanDerWaalsContact C-N 3.28Å; P206-W208 HydrophobicContact CB-CD2 4.3Å; P206-W208 HydrophobicContact CB-CG 4.29Å; P206-W208 HydrophobicContact CB-CZ2 4.29Å; P206-W208 VanDerWaalsContact CB-NE1 3.32Å; P206-W208 HydrophobicContact CG-CZ2 4.31Å; P206-W208 PolarHBondContact O-N 2.93Å; P206-A209 HydrophobicContact CB-CB 4.24Å; P206-A209 HydrophobicContact CG-CB 4.48Å; P206-A209 PolarHBondContact O-N 3.17Å; P206-L210 PolarHBondContact O-N 3.19Å; P206-P517 HydrophobicContact CG-CG 4.13Å
207	S	97.2	Very high	96.7	Very high	48 Å²	48	48.7 Å²	48.7	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-37.9	-176.3	-47.8	0	0	0	0	112.4	D155 R199 A209 L210 N211	D155-S207 PolarHBondContact OD1-N 3.11Å; D155-S207 PolarHBondContact OD1-OG 3.4Å; D155-S207 WeakPolarHBondContact OD2-CB 3.36Å; D155-S207 PolarHBondContact OD2-OG 2.79Å; R199-S207 PolarHBondContact NH1-OG 3.01Å; S207-A209 VanDerWaalsContact C-N 3.29Å; S207-A209 PolarHBondContact O-N 2.87Å; S207-L210 PolarHBondContact O-N 2.96Å; S207-N211 PolarHBondContact O-N 3.06Å; S207-N211 VanDerWaalsContact O-N 3.13Å
208	W	97.4	Very high	96.7	Very high	87 Å²	87	49.2 Å²	49.2	33%	0.33	24%	0.239	S	C	.	.	H	α-helix	trans	-69.2	-28.6	177.9	61.6	-100.3	0	0	0	112.6	D155 V159 P206 N211 Y214 P517	D155-W208 PolarHBondContact O-NE1 3.09Å; V159-W208 HydrophobicContact CG2-CH2 3.74Å; V159-W208 HydrophobicContact CG2-CZ2 3.55Å; P206-W208 VanDerWaalsContact C-N 3.28Å; P206-W208 HydrophobicContact CB-CD2 4.3Å; P206-W208 HydrophobicContact CB-CG 4.29Å; P206-W208 HydrophobicContact CB-CZ2 4.29Å; P206-W208 VanDerWaalsContact CB-NE1 3.32Å; P206-W208 HydrophobicContact CG-CZ2 4.31Å; P206-W208 PolarHBondContact O-N 2.93Å; W208-N211 WeakPolarHBondContact O-CB 3.43Å; W208-Y214 HydrophobicContact CE3-CD2 4.04Å; W208-Y214 HydrophobicContact CE3-CE1 4.42Å; W208-Y214 AromaticContact CE3-CE2 3.94Å; W208-Y214 HydrophobicContact CE3-CE2 3.94Å; W208-Y214 HydrophobicContact CE3-CG 4.35Å; W208-Y214 HydrophobicContact CZ3-CD2 4.15Å; W208-Y214 AromaticContact CZ3-CE1 3.98Å; W208-Y214 HydrophobicContact CZ3-CE1 3.98Å; W208-Y214 AromaticContact CZ3-CE2 3.56Å; W208-Y214 HydrophobicContact CZ3-CE2 3.56Å; W208-Y214 AromaticContact CZ3-CZ 3.48Å; W208-Y214 VanDerWaalsContact CZ3-CZ 3.48Å; W208-Y214 WeakPolarHBondContact O-CB 3.44Å; W208-P517 HydrophobicContact CH2-CB 3.66Å; W208-P517 HydrophobicContact CH2-CG 3.77Å; W208-P517 HydrophobicContact CZ2-CB 4.38Å; W208-P517 HydrophobicContact CZ2-CG 4.01Å; W208-P517 HydrophobicContact CZ3-CB 4.26Å
209	A	97.1	Very high	96.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-81.4	-26	177.4	0	0	0	0	0	111.9	P206 S207 Y214 R215 P517	P206-A209 HydrophobicContact CB-CB 4.24Å; P206-A209 HydrophobicContact CG-CB 4.48Å; P206-A209 PolarHBondContact O-N 3.17Å; S207-A209 VanDerWaalsContact C-N 3.29Å; S207-A209 PolarHBondContact O-N 2.87Å; A209-Y214 HydrophobicContact CB-CD1 4.44Å; A209-Y214 HydrophobicContact CB-CE1 4.38Å; A209-R215 WeakPolarHBondContact O-CD 3.15Å; A209-R215 WeakPolarHBondContact O-CG 3.4Å; A209-P517 HydrophobicContact CB-CB 4.42Å; A209-P517 HydrophobicContact CB-CG 3.94Å
210	L	98.2	Very high	97.1	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-76.4	-27.3	171.3	-72.5	176.3	0	0	0	113.4	A197 R199 Y202 C205 P206 S207 W212 R215 P515	A197-L210 HydrophobicContact CB-CD2 4.47Å; R199-L210 HydrophobicContact CG-CD1 4.17Å; Y202-L210 HydrophobicContact CD2-CD2 4.27Å; Y202-L210 HydrophobicContact CG-CD2 4.21Å; C205-L210 HydrophobicContact CB-CD1 4.23Å; C205-L210 HydrophobicContact CB-CD2 3.83Å; C205-L210 HydrophobicContact CB-CG 3.85Å; P206-L210 PolarHBondContact O-N 3.19Å; S207-L210 PolarHBondContact O-N 2.96Å; L210-W212 PolarHBondContact O-N 3.18Å; L210-R215 WeakPolarHBondContact O-CD 3.33Å; L210-R215 PolarHBondContact O-NE 3.12Å; L210-P515 HydrophobicContact CD2-CB 4.34Å; L210-P515 HydrophobicContact CD2-CG 4.12Å
211	N	98.5	Very high	97.4	Very high	81 Å²	81	45.5 Å²	45.5	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	-55.3	131.2	-177.3	-175.6	-84.4	0	0	0	111.9	S207 W208 E213 Y214 R215	S207-N211 PolarHBondContact O-N 3.06Å; S207-N211 VanDerWaalsContact O-N 3.13Å; W208-N211 WeakPolarHBondContact O-CB 3.43Å; N211-E213 VanDerWaalsContact C-N 3.29Å; N211-E213 PolarHBondContact O-N 3.11Å; N211-E213 VanDerWaalsContact OD1-CB 3.26Å; N211-E213 WeakPolarHBondContact OD1-CB 3.36Å; N211-E213 PolarHBondContact OD1-N 3.29Å; N211-Y214 WeakPolarHBondContact O-CB 3.36Å; N211-Y214 PolarHBondContact O-N 3.07Å; N211-R215 PolarHBondContact O-N 2.72Å
212	W	98.6	Very high	97.6	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-52.5	-41.8	-179.9	-179.4	-114.2	0	0	0	114.3	D194 L210 Y214 R215 K216 I219 Q240 L244 F245	D194-W212 HydrophobicContact CB-CB 4.04Å; D194-W212 HydrophobicContact CB-CD2 4.46Å; D194-W212 HydrophobicContact CB-CE3 4.34Å; D194-W212 HydrophobicContact CB-CG 4.36Å; D194-W212 WeakPolarHBondContact OD1-CB 2.94Å; L210-W212 PolarHBondContact O-N 3.18Å; W212-Y214 PolarHBondContact O-N 3.17Å; W212-R215 PolarHBondContact O-N 3.17Å; W212-K216 HydrophobicContact CD2-CB 4.14Å; W212-K216 HydrophobicContact CH2-CB 4.28Å; W212-K216 HydrophobicContact CZ2-CB 3.86Å; W212-K216 VanDerWaalsContact O-CB 3.25Å; W212-K216 WeakPolarHBondContact O-CB 3.36Å; W212-K216 VanDerWaalsContact O-CG 3.28Å; W212-K216 WeakPolarHBondContact O-CG 3.44Å; W212-K216 PolarHBondContact O-N 3.42Å; W212-I219 HydrophobicContact CH2-CD1 4.21Å; W212-I219 HydrophobicContact CZ3-CD1 3.76Å; W212-Q240 HydrophobicContact CZ2-CB 3.93Å; W212-Q240 HydrophobicContact CZ2-CG 3.61Å; W212-L244 HydrophobicContact CZ2-CD2 3.81Å; W212-F245 HydrophobicContact CH2-CE2 4.17Å; W212-F245 HydrophobicContact CH2-CZ 4.04Å; W212-F245 HydrophobicContact CZ2-CE2 4.35Å
213	E	98.4	Very high	97.7	Very high	101 Å²	101	41.9 Å²	41.9	47%	0.472	20%	0.202	S	C	.	.	H	α-helix	trans	-64	-25.8	-178.5	-63.1	-61.5	112.5	0	0	112.7	N211 K216 K217	N211-E213 VanDerWaalsContact C-N 3.29Å; N211-E213 PolarHBondContact O-N 3.11Å; N211-E213 VanDerWaalsContact OD1-CB 3.26Å; N211-E213 WeakPolarHBondContact OD1-CB 3.36Å; N211-E213 PolarHBondContact OD1-N 3.29Å; E213-K216 IonicContact OE1-NZ 2.78Å; E213-K216 PolarHBondContact OE1-NZ 2.88Å; E213-K216 VanDerWaalsContact OE2-CE 3.28Å; E213-K216 WeakPolarHBondContact OE2-CE 3.2Å; E213-K216 IonicContact OE2-NZ 3.59Å; E213-K216 PolarHBondContact OE2-NZ 3.34Å; E213-K217 WeakPolarHBondContact O-CE 3.44Å
214	Y	98.1	Very high	97.8	Very high	87 Å²	87	42.8 Å²	42.8	34%	0.341	21%	0.205	S	C	.	.	H	α-helix	trans	-81.4	-56.8	171	-175.6	-90.5	0	0	0	111	W208 A209 N211 W212 K216 K217 P517	W208-Y214 HydrophobicContact CE3-CD2 4.04Å; W208-Y214 HydrophobicContact CE3-CE1 4.42Å; W208-Y214 AromaticContact CE3-CE2 3.94Å; W208-Y214 HydrophobicContact CE3-CE2 3.94Å; W208-Y214 HydrophobicContact CE3-CG 4.35Å; W208-Y214 HydrophobicContact CZ3-CD2 4.15Å; W208-Y214 AromaticContact CZ3-CE1 3.98Å; W208-Y214 HydrophobicContact CZ3-CE1 3.98Å; W208-Y214 AromaticContact CZ3-CE2 3.56Å; W208-Y214 HydrophobicContact CZ3-CE2 3.56Å; W208-Y214 AromaticContact CZ3-CZ 3.48Å; W208-Y214 VanDerWaalsContact CZ3-CZ 3.48Å; W208-Y214 WeakPolarHBondContact O-CB 3.44Å; A209-Y214 HydrophobicContact CB-CD1 4.44Å; A209-Y214 HydrophobicContact CB-CE1 4.38Å; N211-Y214 WeakPolarHBondContact O-CB 3.36Å; N211-Y214 PolarHBondContact O-N 3.07Å; W212-Y214 PolarHBondContact O-N 3.17Å; Y214-K216 VanDerWaalsContact C-N 3.35Å; Y214-K216 PolarHBondContact O-N 2.89Å; Y214-K217 WeakPolarHBondContact O-CB 3.34Å; Y214-K217 PolarHBondContact O-N 3.01Å; Y214-P517 WeakPolarHBondContact CE1-O 3.41Å; Y214-P517 PolarHBondContact OH-O 3.47Å
215	R	98.5	Very high	97.9	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-39.2	-173.6	-66.6	-167.4	-54.7	106.8	-2.2	113.5	V191 L192 A209 L210 N211 W212 K217 G218 I219 P520	V191-R215 PolarHBondContact O-NH1 3.49Å; L192-R215 VanDerWaalsContact O-CZ 3.3Å; L192-R215 PolarHBondContact O-NH1 2.62Å; L192-R215 PolarHBondContact O-NH2 3.35Å; A209-R215 WeakPolarHBondContact O-CD 3.15Å; A209-R215 WeakPolarHBondContact O-CG 3.4Å; L210-R215 WeakPolarHBondContact O-CD 3.33Å; L210-R215 PolarHBondContact O-NE 3.12Å; N211-R215 PolarHBondContact O-N 2.72Å; W212-R215 PolarHBondContact O-N 3.17Å; R215-K217 PolarHBondContact O-N 3.34Å; R215-G218 PolarHBondContact O-N 3.18Å; R215-I219 HydrophobicContact CB-CD1 4.19Å; R215-I219 WeakPolarHBondContact O-CG1 3.34Å; R215-I219 PolarHBondContact O-N 3.44Å; R215-P520 HydrophobicContact CB-CB 4.26Å; R215-P520 WeakPolarHBondContact CD-O 3.34Å; R215-P520 PolarHBondContact NH1-O 2.93Å; R215-P520 VanDerWaalsContact NH1-O 3.1Å
216	K	98.5	Very high	97.9	Very high	44 Å²	44	46.3 Å²	46.3	19%	0.191	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-28.3	-178	77.3	-175.2	-176.8	-174.8	0	112.7	W212 E213 Y214 M220 L244	W212-K216 HydrophobicContact CD2-CB 4.14Å; W212-K216 HydrophobicContact CH2-CB 4.28Å; W212-K216 HydrophobicContact CZ2-CB 3.86Å; W212-K216 VanDerWaalsContact O-CB 3.25Å; W212-K216 WeakPolarHBondContact O-CB 3.36Å; W212-K216 VanDerWaalsContact O-CG 3.28Å; W212-K216 WeakPolarHBondContact O-CG 3.44Å; W212-K216 PolarHBondContact O-N 3.42Å; E213-K216 IonicContact OE1-NZ 2.78Å; E213-K216 PolarHBondContact OE1-NZ 2.88Å; E213-K216 VanDerWaalsContact OE2-CE 3.28Å; E213-K216 WeakPolarHBondContact OE2-CE 3.2Å; E213-K216 IonicContact OE2-NZ 3.59Å; E213-K216 PolarHBondContact OE2-NZ 3.34Å; Y214-K216 VanDerWaalsContact C-N 3.35Å; Y214-K216 PolarHBondContact O-N 2.89Å; K216-M220 WeakPolarHBondContact O-CB 3.29Å; K216-M220 VanDerWaalsContact O-CG 3.26Å; K216-M220 WeakPolarHBondContact O-CG 3.16Å; K216-M220 PolarHBondContact O-N 3.48Å; K216-L244 HydrophobicContact CB-CD2 3.87Å; K216-L244 HydrophobicContact CD-CD2 4.24Å; K216-L244 HydrophobicContact CG-CD2 4.44Å
217	K	98.2	Very high	98	Very high	147 Å²	147	49.5 Å²	49.5	64%	0.639	25%	0.251	S	S	*	.	H	α-helix	trans	-65.9	-52	175.5	-61	177.5	-176.7	175	0	110.9	E213 Y214 R215 M220 E221	E213-K217 WeakPolarHBondContact O-CE 3.44Å; Y214-K217 WeakPolarHBondContact O-CB 3.34Å; Y214-K217 PolarHBondContact O-N 3.01Å; R215-K217 PolarHBondContact O-N 3.34Å; K217-M220 PolarHBondContact O-N 3.31Å; K217-E221 WeakPolarHBondContact O-CB 3.47Å; K217-E221 PolarHBondContact O-N 3.01Å
218	G	97.8	Very high	98.1	Very high	21 Å²	21	47.2 Å²	47.2	22%	0.216	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-38.4	177	0	0	0	0	0	112.7	R215 E221 E222	R215-G218 PolarHBondContact O-N 3.18Å; G218-E221 PolarHBondContact O-N 3.37Å; G218-E222 PolarHBondContact O-N 2.93Å
219	I	98.8	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-48.7	175.8	-71.2	160.2	0	0	0	110.2	Y189 V191 W212 R215 E221 E222 I223 F245 P520	Y189-I219 HydrophobicContact CE1-CG2 4.36Å; V191-I219 HydrophobicContact CB-CD1 4.2Å; V191-I219 HydrophobicContact CB-CG1 4.47Å; V191-I219 HydrophobicContact CB-CG2 4.03Å; V191-I219 HydrophobicContact CG1-CG2 3.81Å; V191-I219 WeakPolarHBondContact O-CD1 3.18Å; W212-I219 HydrophobicContact CH2-CD1 4.21Å; W212-I219 HydrophobicContact CZ3-CD1 3.76Å; R215-I219 HydrophobicContact CB-CD1 4.19Å; R215-I219 WeakPolarHBondContact O-CG1 3.34Å; R215-I219 PolarHBondContact O-N 3.44Å; I219-E221 VanDerWaalsContact C-N 3.35Å; I219-E222 PolarHBondContact O-N 3.4Å; I219-I223 HydrophobicContact CG2-CD1 3.79Å; I219-I223 VanDerWaalsContact O-CG1 3.28Å; I219-I223 WeakPolarHBondContact O-CG1 3.22Å; I219-I223 PolarHBondContact O-N 3.41Å; I219-F245 HydrophobicContact CG2-CE1 3.87Å; I219-F245 HydrophobicContact CG2-CZ 4.18Å; I219-P520 HydrophobicContact CG1-CB 3.95Å; I219-P520 HydrophobicContact CG1-CG 3.99Å
220	M	98.6	Very high	98.2	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-35	178.2	-69.6	-52.3	-57.5	0	0	111.9	K216 K217 I223 T224 L244 F245 T248 L249	K216-M220 WeakPolarHBondContact O-CB 3.29Å; K216-M220 VanDerWaalsContact O-CG 3.26Å; K216-M220 WeakPolarHBondContact O-CG 3.16Å; K216-M220 PolarHBondContact O-N 3.48Å; K217-M220 PolarHBondContact O-N 3.31Å; M220-I223 HydrophobicContact SD-CD1 4.16Å; M220-T224 HydrophobicContact CE-CG2 4.43Å; M220-T224 VanDerWaalsContact O-CB 3.22Å; M220-T224 WeakPolarHBondContact O-CB 3.43Å; M220-T224 WeakPolarHBondContact O-CG2 3.39Å; M220-T224 PolarHBondContact O-N 2.97Å; M220-T224 PolarHBondContact O-OG1 3.32Å; M220-L244 HydrophobicContact CG-CD1 4.11Å; M220-L244 HydrophobicContact CG-CD2 4.25Å; M220-L244 HydrophobicContact CG-CG 4.24Å; M220-L244 HydrophobicContact SD-CD2 4.43Å; M220-L244 HydrophobicContact SD-CG 4.26Å; M220-F245 HydrophobicContact SD-CD1 3.55Å; M220-F245 VanDerWaalsContact SD-CD1 3.55Å; M220-F245 HydrophobicContact SD-CE1 3.75Å; M220-F245 HydrophobicContact SD-CG 4.5Å; M220-T248 HydrophobicContact CE-CG2 3.65Å; M220-L249 HydrophobicContact CE-CD2 4.45Å; M220-L249 HydrophobicContact CE-CG 4.42Å
221	E	97.8	Very high	98.2	Very high	135 Å²	135	43 Å²	43	63%	0.631	22%	0.219	S	C	*	.	H	α-helix	trans	-61.1	-47.5	173.3	-173	171.8	-171.6	0	0	111.6	K217 G218 I219 T224 S225	K217-E221 WeakPolarHBondContact O-CB 3.47Å; K217-E221 PolarHBondContact O-N 3.01Å; G218-E221 PolarHBondContact O-N 3.37Å; I219-E221 VanDerWaalsContact C-N 3.35Å; E221-T224 WeakPolarHBondContact CA-OG1 3.23Å; E221-T224 PolarHBondContact O-N 3.32Å; E221-T224 PolarHBondContact O-OG1 3.16Å; E221-S225 WeakPolarHBondContact O-CB 3.49Å; E221-S225 PolarHBondContact O-N 3.06Å; E221-S225 PolarHBondContact O-OG 3.28Å; E221-S225 VanDerWaalsContact O-OG 3.14Å
222	E	98.3	Very high	98.3	Very high	40 Å²	40	39.2 Å²	39.2	19%	0.187	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-53.7	174.7	178.4	71.6	-177.8	0	0	111	R167 M187 Y189 G218 I219 T224 S225 C226 S525	R167-E222 IonicContact NH1-OE1 3.67Å; R167-E222 PolarHBondContact NH1-OE1 3.47Å; M187-E222 HydrophobicContact CE-CG 4.19Å; Y189-E222 HydrophobicContact CE1-CB 4.47Å; Y189-E222 HydrophobicContact CE1-CG 4.1Å; G218-E222 PolarHBondContact O-N 2.93Å; I219-E222 PolarHBondContact O-N 3.4Å; E222-T224 VanDerWaalsContact C-N 3.32Å; E222-T224 PolarHBondContact O-N 3.26Å; E222-S225 PolarHBondContact O-N 2.83Å; E222-S225 PolarHBondContact O-OG 3.49Å; E222-C226 PolarHBondContact O-N 3.46Å; E222-C226 PolarHBondContact O-SG 3.43Å; E222-S525 WeakPolarHBondContact OE1-CB 3.48Å; E222-S525 PolarHBondContact OE1-OG 2.86Å
223	I	98.7	Very high	98.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-46.2	179.6	-67.6	165.9	0	0	0	111.2	M187 Y189 I219 M220 D227 I231 L233 F245 L249	M187-I223 HydrophobicContact CE-CB 4.36Å; M187-I223 HydrophobicContact CE-CG1 3.71Å; M187-I223 HydrophobicContact SD-CG1 4.28Å; Y189-I223 HydrophobicContact CD1-CG1 4.28Å; I219-I223 HydrophobicContact CG2-CD1 3.79Å; I219-I223 VanDerWaalsContact O-CG1 3.28Å; I219-I223 WeakPolarHBondContact O-CG1 3.22Å; I219-I223 PolarHBondContact O-N 3.41Å; M220-I223 HydrophobicContact SD-CD1 4.16Å; I223-D227 PolarHBondContact O-N 3.13Å; I223-I231 HydrophobicContact CG2-CD1 3.86Å; I223-L233 HydrophobicContact CD1-CD1 3.89Å; I223-L233 HydrophobicContact CD1-CD2 4.2Å; I223-L233 HydrophobicContact CG1-CD2 4.48Å; I223-F245 HydrophobicContact CD1-CD1 4.12Å; I223-F245 HydrophobicContact CD1-CE1 3.81Å; I223-L249 HydrophobicContact CG2-CD2 3.96Å
224	T	97.5	Very high	98.3	Very high	28 Å²	28	33.6 Å²	33.6	17%	0.172	17%	0.173	C	C	.	.	H	α-helix	trans	-76.8	-25.5	-175.2	56.6	0	0	0	0	113.9	M220 E221 E222 R252	M220-T224 HydrophobicContact CE-CG2 4.43Å; M220-T224 VanDerWaalsContact O-CB 3.22Å; M220-T224 WeakPolarHBondContact O-CB 3.43Å; M220-T224 WeakPolarHBondContact O-CG2 3.39Å; M220-T224 PolarHBondContact O-N 2.97Å; M220-T224 PolarHBondContact O-OG1 3.32Å; E221-T224 WeakPolarHBondContact CA-OG1 3.23Å; E221-T224 PolarHBondContact O-N 3.32Å; E221-T224 PolarHBondContact O-OG1 3.16Å; E222-T224 VanDerWaalsContact C-N 3.32Å; E222-T224 PolarHBondContact O-N 3.26Å; T224-R252 VanDerWaalsContact CB-CZ 3.41Å; T224-R252 VanDerWaalsContact CG2-CZ 3.47Å; T224-R252 PolarHBondContact O-NH1 3.16Å
225	S	96.3	Very high	98.3	Very high	83 Å²	83	30.3 Å²	30.3	58%	0.58	16%	0.16	S	C	*	.	H	α-helix	trans	-75.2	-35.2	173.3	73.3	0	0	0	0	112.2	E221 E222 D227	E221-S225 WeakPolarHBondContact O-CB 3.49Å; E221-S225 PolarHBondContact O-N 3.06Å; E221-S225 PolarHBondContact O-OG 3.28Å; E221-S225 VanDerWaalsContact O-OG 3.14Å; E222-S225 PolarHBondContact O-N 2.83Å; E222-S225 PolarHBondContact O-OG 3.49Å; S225-D227 VanDerWaalsContact C-N 3.31Å
226	C	97.3	Very high	98.4	Very high	19 Å²	19	30.2 Å²	30.2	13%	0.128	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-31.5	175.9	-72.2	0	0	0	0	112.4	M187 E222 A228 L527	M187-C226 HydrophobicContact SD-CB 4.04Å; E222-C226 PolarHBondContact O-N 3.46Å; E222-C226 PolarHBondContact O-SG 3.43Å; C226-A228 PolarHBondContact O-N 3.38Å; C226-A228 VanDerWaalsContact O-N 3.08Å; C226-L527 HydrophobicContact CB-CD1 4.47Å; C226-L527 HydrophobicContact CB-CD2 4.03Å
227	D	97.9	Very high	98.4	Very high	76 Å²	76	28.5 Å²	28.5	41%	0.406	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	38.7	177.5	-169	41.4	0	0	0	113.8	I223 S225 K283	I223-D227 PolarHBondContact O-N 3.13Å; S225-D227 VanDerWaalsContact C-N 3.31Å; D227-K283 PolarHBondContact O-NZ 2.8Å; D227-K283 WeakPolarHBondContact OD1-CE 3.49Å; D227-K283 IonicContact OD1-NZ 3.91Å; D227-K283 PolarHBondContact OD1-NZ 2.98Å; D227-K283 IonicContact OD2-NZ 3.32Å; D227-K283 PolarHBondContact OD2-NZ 3.24Å
228	A	98.8	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.			trans	-68.4	142.2	-173.3	0	0	0	0	0	111.9	T185 M187 C226 I230 I231 Y254 L527	T185-A228 VanDerWaalsContact OG1-CA 3.31Å; T185-A228 WeakPolarHBondContact OG1-CA 3.28Å; M187-A228 HydrophobicContact CB-CB 3.53Å; C226-A228 PolarHBondContact O-N 3.38Å; C226-A228 VanDerWaalsContact O-N 3.08Å; A228-I230 VanDerWaalsContact C-N 3.26Å; A228-I230 PolarHBondContact O-N 3.1Å; A228-I231 HydrophobicContact CB-CG1 4Å; A228-Y254 WeakPolarHBondContact O-CE1 3.4Å; A228-Y254 VanDerWaalsContact O-CZ 3.25Å; A228-Y254 PolarHBondContact O-OH 3.05Å; A228-L527 HydrophobicContact CB-CD1 3.59Å
229	D	98.9	Very high	98.4	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.037	13%	0.131	C	C	.	.	S	Bend	trans	-68.5	-29.8	-179.8	-62.8	-37.4	0	0	0	113	F184 T185 F282 K283 K286 F287	F184-D229 WeakPolarHBondContact CA-OD2 3.17Å; F184-D229 HydrophobicContact CB-CB 4.06Å; F184-D229 WeakPolarHBondContact CB-OD2 3.33Å; T185-D229 PolarHBondContact N-OD2 3.02Å; T185-D229 VanDerWaalsContact N-OD2 3.12Å; T185-D229 WeakPolarHBondContact O-CB 3.42Å; T185-D229 PolarHBondContact O-N 3.42Å; T185-D229 VanDerWaalsContact O-N 3.08Å; T185-D229 PolarHBondContact OG1-N 3.18Å; D229-F282 WeakPolarHBondContact O-CA 3.5Å; D229-K283 PolarHBondContact O-N 2.94Å; D229-K283 IonicContact OD1-NZ 3.68Å; D229-K286 HydrophobicContact CB-CD 4Å; D229-K286 VanDerWaalsContact CG-CD 3.48Å; D229-K286 WeakPolarHBondContact OD1-CD 3.4Å; D229-K286 WeakPolarHBondContact OD1-CE 3.46Å; D229-K286 IonicContact OD1-NZ 3.86Å; D229-K286 PolarHBondContact OD1-NZ 2.91Å; D229-K286 IonicContact OD2-NZ 2.83Å; D229-K286 PolarHBondContact OD2-NZ 2.98Å; D229-F287 HydrophobicContact CB-CE2 4.01Å
230	I	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.9	174.1	-58.6	175.5	0	0	0	108	F184 T185 V186 M187 A228 I280 F281 F287 L327 L346 V348	F184-I230 HydrophobicContact CD2-CD1 3.86Å; F184-I230 HydrophobicContact CD2-CG1 4.47Å; F184-I230 HydrophobicContact CE2-CD1 3.8Å; T185-I230 PolarHBondContact O-N 3.18Å; V186-I230 CarbonylContact C-O 3.49Å; V186-I230 WeakPolarHBondContact CA-O 3.31Å; V186-I230 HydrophobicContact CG2-CB 4.42Å; M187-I230 PolarHBondContact N-O 3.38Å; A228-I230 VanDerWaalsContact C-N 3.26Å; A228-I230 PolarHBondContact O-N 3.1Å; I230-I280 HydrophobicContact CG2-CG2 4.29Å; I230-F281 CarbonylContact C-O 3.53Å; I230-F281 WeakPolarHBondContact CA-O 3.48Å; I230-F287 HydrophobicContact CD1-CD2 4.48Å; I230-F287 HydrophobicContact CD1-CE1 4.24Å; I230-F287 HydrophobicContact CD1-CE2 3.86Å; I230-F287 HydrophobicContact CD1-CZ 3.74Å; I230-F287 HydrophobicContact CG1-CD2 4.13Å; I230-F287 HydrophobicContact CG1-CE2 3.6Å; I230-F287 HydrophobicContact CG1-CZ 4.01Å; I230-L327 HydrophobicContact CD1-CD1 4.29Å; I230-L346 HydrophobicContact CD1-CD2 3.84Å; I230-V348 HydrophobicContact CD1-CG2 3.9Å; I230-V348 HydrophobicContact CG2-CG1 3.78Å; I230-V348 HydrophobicContact CG2-CG2 4.36Å
231	I	98.9	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.9	-179.5	-56.2	159.8	0	0	0	109	M187 I223 A228 L233 L249 Y254 I280 F281	M187-I231 HydrophobicContact CB-CB 4.49Å; M187-I231 HydrophobicContact CB-CG1 4.3Å; M187-I231 HydrophobicContact CB-CG2 4.31Å; M187-I231 HydrophobicContact CG-CG2 4.33Å; M187-I231 HydrophobicContact SD-CG1 4.47Å; M187-I231 HydrophobicContact SD-CG2 4.03Å; I223-I231 HydrophobicContact CG2-CD1 3.86Å; A228-I231 HydrophobicContact CB-CG1 4Å; I231-L233 HydrophobicContact CG2-CD1 4.47Å; I231-L233 HydrophobicContact CG2-CD2 3.53Å; I231-L233 HydrophobicContact CG2-CG 3.81Å; I231-L249 HydrophobicContact CD1-CD1 4.38Å; I231-L249 HydrophobicContact CD1-CD2 4.28Å; I231-Y254 HydrophobicContact CD1-CD1 4.16Å; I231-Y254 HydrophobicContact CD1-CE1 3.51Å; I231-Y254 HydrophobicContact CG1-CE1 4.14Å; I231-I280 CarbonylContact O-C 3.6Å; I231-I280 VanDerWaalsContact O-CA 3.29Å; I231-I280 WeakPolarHBondContact O-CA 3.38Å; I231-F281 HydrophobicContact CB-CB 4.22Å; I231-F281 HydrophobicContact CB-CD2 4.38Å; I231-F281 HydrophobicContact CG2-CD2 4.47Å; I231-F281 PolarHBondContact N-O 3.25Å; I231-F281 PolarHBondContact O-N 3.39Å
232	S	98.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.3	173	-69.3	0	0	0	0	109.7	M187 C188 Y189 A279 C402	M187-S232 PolarHBondContact O-N 3.15Å; C188-S232 WeakPolarHBondContact CA-O 3.38Å; Y189-S232 PolarHBondContact N-O 3.22Å; S232-A279 WeakPolarHBondContact CA-O 3.27Å; S232-C402 WeakPolarHBondContact OG-CB 3.32Å; S232-C402 PolarHBondContact OG-SG 2.97Å; S232-C402 VanDerWaalsContact OG-SG 3.41Å
233	L	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.4	179.5	-56.8	-175.4	0	0	0	111.6	Y189 V191 I223 I231 V236 F245 C278 A279 F281 N350	Y189-L233 HydrophobicContact CD1-CD2 4.35Å; Y189-L233 VanDerWaalsContact O-CA 3.3Å; Y189-L233 WeakPolarHBondContact O-CA 3.25Å; V191-L233 HydrophobicContact CG1-CD1 4.37Å; V191-L233 HydrophobicContact CG1-CD2 4.16Å; I223-L233 HydrophobicContact CD1-CD1 3.89Å; I223-L233 HydrophobicContact CD1-CD2 4.2Å; I223-L233 HydrophobicContact CG1-CD2 4.48Å; I231-L233 HydrophobicContact CG2-CD1 4.47Å; I231-L233 HydrophobicContact CG2-CD2 3.53Å; I231-L233 HydrophobicContact CG2-CG 3.81Å; L233-V236 HydrophobicContact CB-CG2 3.42Å; L233-V236 VanDerWaalsContact CB-CG2 3.42Å; L233-V236 HydrophobicContact CD1-CG2 4.11Å; L233-V236 HydrophobicContact CG-CG2 4.41Å; L233-F245 HydrophobicContact CD1-CD1 3.83Å; L233-F245 HydrophobicContact CD1-CE1 3.92Å; L233-C278 WeakPolarHBondContact O-CA 3.35Å; L233-A279 HydrophobicContact CB-CB 4.49Å; L233-A279 PolarHBondContact N-O 3.18Å; L233-A279 PolarHBondContact O-N 3.06Å; L233-F281 HydrophobicContact CD1-CD2 4.48Å; L233-F281 HydrophobicContact CD1-CE2 3.88Å; L233-F281 HydrophobicContact CG-CE2 4.33Å; L233-N350 PolarHBondContact N-ND2 3.47Å; L233-N350 PolarHBondContact O-ND2 3.23Å
234	Q	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	160.8	168.1	-54.4	78.8	25.6	0	0	109.6	C188 Y189 N190 V191 V236 N350 H352 D404	C188-Q234 PolarHBondContact SG-NE2 3.5Å; C188-Q234 VanDerWaalsContact SG-NE2 3.4Å; Y189-Q234 PolarHBondContact O-N 2.86Å; Y189-Q234 VanDerWaalsContact O-N 3.11Å; Y189-Q234 PolarHBondContact O-OE1 3.27Å; N190-Q234 HydrophobicContact CB-CB 4.14Å; N190-Q234 VanDerWaalsContact N-OE1 3.11Å; V191-Q234 PolarHBondContact N-O 2.83Å; Q234-V236 VanDerWaalsContact C-N 3.27Å; Q234-V236 PolarHBondContact O-N 3.08Å; Q234-N350 PolarHBondContact NE2-OD1 2.94Å; Q234-H352 HydrophobicContact CB-CB 4.2Å; Q234-H352 HydrophobicContact CG-CB 4.06Å; Q234-D404 HydrophobicContact CG-CB 4.14Å
235	E	98.7	Very high	98.5	Very high	17 Å²	17	26.6 Å²	26.6	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.9	34.6	-176.7	-62.2	-162.8	-160.2	0	0	114.7	N190 V191 L192 C193 Y196 E237 G277 H352	N190-E235 PolarHBondContact ND2-OE1 3.42Å; N190-E235 VanDerWaalsContact ND2-OE1 3.08Å; N190-E235 WeakPolarHBondContact OD1-CB 3.39Å; N190-E235 WeakPolarHBondContact OD1-CG 3.35Å; N190-E235 PolarHBondContact OD1-OE1 2.85Å; V191-E235 WeakPolarHBondContact CG2-O 3.43Å; L192-E235 WeakPolarHBondContact CA-OE2 3.37Å; C193-E235 HydrophobicContact CB-CB 4.07Å; C193-E235 WeakPolarHBondContact CB-O 3.07Å; C193-E235 PolarHBondContact N-OE2 3.46Å; C193-E235 PolarHBondContact SG-OE2 2.9Å; C193-E235 VanDerWaalsContact SG-OE2 3.34Å; Y196-E235 WeakPolarHBondContact CD2-OE2 3.3Å; E235-E237 PolarHBondContact O-N 3.34Å; E235-G277 PolarHBondContact N-O 3.2Å; E235-H352 IonicContact OE1-CE1 2.79Å; E235-H352 PolarHBondContact OE1-CE1 2.91Å
236	V	98.8	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.6	174.1	-177.5	0	0	0	0	109.1	L233 Q234 Y241 F245 F258 D276 G277 A279	L233-V236 HydrophobicContact CB-CG2 3.42Å; L233-V236 VanDerWaalsContact CB-CG2 3.42Å; L233-V236 HydrophobicContact CD1-CG2 4.11Å; L233-V236 HydrophobicContact CG-CG2 4.41Å; Q234-V236 VanDerWaalsContact C-N 3.27Å; Q234-V236 PolarHBondContact O-N 3.08Å; V236-Y241 HydrophobicContact CG1-CD2 4.36Å; V236-F245 HydrophobicContact CG1-CD2 3.74Å; V236-F245 HydrophobicContact CG1-CE2 3.91Å; V236-F258 HydrophobicContact CB-CD2 4.31Å; V236-F258 HydrophobicContact CB-CE2 3.99Å; V236-F258 HydrophobicContact CG1-CD2 4.26Å; V236-F258 HydrophobicContact CG1-CE2 4.1Å; V236-F258 VanDerWaalsContact O-CE2 3.24Å; V236-F258 WeakPolarHBondContact O-CE2 3.45Å; V236-D276 CarbonylContact O-C 3.51Å; V236-D276 VanDerWaalsContact O-CA 3.23Å; V236-D276 WeakPolarHBondContact O-CA 3.28Å; V236-G277 PolarHBondContact N-O 2.81Å; V236-G277 PolarHBondContact O-N 2.71Å; V236-A279 HydrophobicContact CG2-CB 4.15Å
237	E	98.6	Very high	98.6	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	142.3	173	-68.9	-165.4	-171.5	0	0	111.9	C193 D194 K195 E235 E239 Q240 Y241 H274	C193-E237 HydrophobicContact CB-CG 3.72Å; D194-E237 WeakPolarHBondContact CB-OE1 3.46Å; D194-E237 PolarHBondContact N-OE1 3.03Å; K195-E237 PolarHBondContact N-OE1 2.54Å; K195-E237 VanDerWaalsContact N-OE1 3.11Å; E235-E237 PolarHBondContact O-N 3.34Å; E237-E239 PolarHBondContact O-N 2.88Å; E237-Q240 HydrophobicContact CB-CB 4.23Å; E237-Q240 HydrophobicContact CB-CG 3.95Å; E237-Q240 PolarHBondContact O-N 3.34Å; E237-Q240 VanDerWaalsContact O-N 3.14Å; E237-Y241 PolarHBondContact O-N 2.88Å; E237-H274 IonicContact OE2-CG 2.79Å; E237-H274 IonicContact OE2-ND1 2.97Å; E237-H274 PolarHBondContact OE2-ND1 2.82Å; E237-H274 VanDerWaalsContact OE2-ND1 3.12Å
238	T	98.5	Very high	98.6	Very high	21 Å²	21	27 Å²	27	13%	0.129	13%	0.133	C	C	.	.	H	α-helix	trans	-54.4	-49.5	-174.3	-64.3	0	0	0	0	113	Y242 F258 P260 R272 K273 V275	T238-Y242 HydrophobicContact CG2-CE2 4.2Å; T238-Y242 WeakPolarHBondContact O-CD2 3.32Å; T238-F258 HydrophobicContact CG2-CE1 4.17Å; T238-P260 WeakPolarHBondContact OG1-CB 3.46Å; T238-R272 WeakPolarHBondContact CB-O 3.41Å; T238-R272 PolarHBondContact OG1-O 3.32Å; T238-K273 WeakPolarHBondContact CB-O 3.45Å; T238-K273 PolarHBondContact N-O 3.47Å; T238-V275 PolarHBondContact N-O 2.98Å; T238-V275 PolarHBondContact OG1-O 3.21Å
239	E	98.2	Very high	98.6	Very high	59 Å²	59	27.1 Å²	27.1	28%	0.276	13%	0.133	S	C	.	.	H	α-helix	trans	-65.8	-42.6	179.7	-172.8	168	-123	0	0	111.1	E237 Y241 Y242 T243 K273	E237-E239 PolarHBondContact O-N 2.88Å; E239-Y241 VanDerWaalsContact C-N 3.31Å; E239-Y241 PolarHBondContact O-N 3.07Å; E239-Y242 PolarHBondContact O-N 2.83Å; E239-Y242 VanDerWaalsContact O-N 3.09Å; E239-T243 HydrophobicContact CG-CG2 4.17Å; E239-T243 PolarHBondContact O-N 2.89Å; E239-T243 PolarHBondContact O-OG1 2.7Å; E239-T243 VanDerWaalsContact O-OG1 3.05Å; E239-K273 HydrophobicContact CB-CB 3.99Å; E239-K273 HydrophobicContact CB-CG 4.38Å; E239-K273 PolarHBondContact N-O 3.22Å; E239-K273 WeakPolarHBondContact OE1-CD 3.5Å; E239-K273 WeakPolarHBondContact OE1-CE 3.33Å; E239-K273 IonicContact OE1-NZ 3.93Å; E239-K273 PolarHBondContact OE1-NZ 2.78Å
240	Q	98.6	Very high	98.5	Very high	24 Å²	24	32 Å²	32	11%	0.112	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-32.4	-178.6	-57.5	-55	-45.4	0	0	112.7	W212 E237 Y242 L244 F245	W212-Q240 HydrophobicContact CZ2-CB 3.93Å; W212-Q240 HydrophobicContact CZ2-CG 3.61Å; E237-Q240 HydrophobicContact CB-CB 4.23Å; E237-Q240 HydrophobicContact CB-CG 3.95Å; E237-Q240 PolarHBondContact O-N 3.34Å; E237-Q240 VanDerWaalsContact O-N 3.14Å; Q240-Y242 VanDerWaalsContact C-N 3.3Å; Q240-Y242 PolarHBondContact O-N 2.85Å; Q240-L244 WeakPolarHBondContact O-CA 3.37Å; Q240-L244 WeakPolarHBondContact O-CB 3.17Å; Q240-L244 PolarHBondContact O-N 3.13Å; Q240-F245 HydrophobicContact CB-CD2 4.21Å; Q240-F245 HydrophobicContact CB-CE2 4Å; Q240-F245 WeakPolarHBondContact O-CD2 3.08Å; Q240-F245 PolarHBondContact O-N 3.39Å
241	Y	98.8	Very high	98.4	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.039	19%	0.191	C	C	.	.	I	π-helix	trans	-54.7	-49.3	171.6	173.6	-102.5	0	0	0	111.1	V236 E237 E239 L246 G256 F258 A279 F281	V236-Y241 HydrophobicContact CG1-CD2 4.36Å; E237-Y241 PolarHBondContact O-N 2.88Å; E239-Y241 VanDerWaalsContact C-N 3.31Å; E239-Y241 PolarHBondContact O-N 3.07Å; Y241-L246 HydrophobicContact CE1-CB 4.4Å; Y241-L246 HydrophobicContact CE1-CD2 3.92Å; Y241-L246 HydrophobicContact CE2-CB 4.35Å; Y241-L246 WeakPolarHBondContact O-CB 3.38Å; Y241-L246 PolarHBondContact O-N 3.5Å; Y241-G256 PolarHBondContact OH-O 2.58Å; Y241-G256 VanDerWaalsContact OH-O 3.09Å; Y241-F258 HydrophobicContact CD1-CB 3.61Å; Y241-F258 AromaticContact CD1-CD1 3.71Å; Y241-F258 HydrophobicContact CD1-CD1 3.71Å; Y241-F258 AromaticContact CD1-CG 3.79Å; Y241-F258 HydrophobicContact CD1-CG 3.79Å; Y241-F258 HydrophobicContact CD2-CB 3.42Å; Y241-F258 VanDerWaalsContact CD2-CB 3.42Å; Y241-F258 HydrophobicContact CD2-CD1 4.46Å; Y241-F258 HydrophobicContact CD2-CD2 4.13Å; Y241-F258 AromaticContact CD2-CG 3.76Å; Y241-F258 HydrophobicContact CD2-CG 3.76Å; Y241-F258 HydrophobicContact CE1-CB 3.51Å; Y241-F258 HydrophobicContact CE1-CD1 4.31Å; Y241-F258 HydrophobicContact CE1-CG 4.21Å; Y241-F258 HydrophobicContact CE2-CB 3.32Å; Y241-F258 HydrophobicContact CE2-CG 4.19Å; Y241-F258 HydrophobicContact CG-CB 3.55Å; Y241-F258 AromaticContact CG-CD1 3.78Å; Y241-F258 HydrophobicContact CG-CD1 3.78Å; Y241-F258 HydrophobicContact CG-CD2 4.11Å; Y241-F258 AromaticContact CG-CG 3.53Å; Y241-F258 HydrophobicContact CG-CG 3.53Å; Y241-A279 HydrophobicContact CD2-CB 4.1Å; Y241-A279 HydrophobicContact CE2-CB 4.13Å; Y241-F281 HydrophobicContact CD2-CE1 4.33Å; Y241-F281 AromaticContact CD2-CZ 3.77Å; Y241-F281 HydrophobicContact CD2-CZ 3.77Å; Y241-F281 AromaticContact CE2-CE1 3.66Å; Y241-F281 HydrophobicContact CE2-CE1 3.66Å; Y241-F281 HydrophobicContact CE2-CE2 4.46Å; Y241-F281 AromaticContact CE2-CZ 3.48Å; Y241-F281 HydrophobicContact CE2-CZ 3.48Å; Y241-F281 VanDerWaalsContact CE2-CZ 3.48Å
242	Y	98.5	Very high	98.4	Very high	134 Å²	134	44.7 Å²	44.7	53%	0.525	21%	0.213	S	C	.	.	I	π-helix	trans	-78.6	-36.4	-174.8	-66.2	-68.9	0	0	0	113.4	T238 E239 Q240 L246	T238-Y242 HydrophobicContact CG2-CE2 4.2Å; T238-Y242 WeakPolarHBondContact O-CD2 3.32Å; E239-Y242 PolarHBondContact O-N 2.83Å; E239-Y242 VanDerWaalsContact O-N 3.09Å; Q240-Y242 VanDerWaalsContact C-N 3.3Å; Q240-Y242 PolarHBondContact O-N 2.85Å; Y242-L246 HydrophobicContact CD1-CD2 4.46Å
243	T	98.2	Very high	98.3	Very high	77 Å²	77	46.3 Å²	46.3	47%	0.472	23%	0.229	S	C	.	.	I	π-helix	trans	-99.2	-10.2	-171.9	65	0	0	0	0	114.7	E239	E239-T243 HydrophobicContact CG-CG2 4.17Å; E239-T243 PolarHBondContact O-N 2.89Å; E239-T243 PolarHBondContact O-OG1 2.7Å; E239-T243 VanDerWaalsContact O-OG1 3.05Å
244	L	98.6	Very high	98.3	Very high	24 Å²	24	46.7 Å²	46.7	13%	0.126	23%	0.231	C	C	.	.	I	π-helix	trans	-129.1	-66.8	-179.1	176	71	0	0	0	111	W212 K216 M220 Q240 T248	W212-L244 HydrophobicContact CZ2-CD2 3.81Å; K216-L244 HydrophobicContact CB-CD2 3.87Å; K216-L244 HydrophobicContact CD-CD2 4.24Å; K216-L244 HydrophobicContact CG-CD2 4.44Å; M220-L244 HydrophobicContact CG-CD1 4.11Å; M220-L244 HydrophobicContact CG-CD2 4.25Å; M220-L244 HydrophobicContact CG-CG 4.24Å; M220-L244 HydrophobicContact SD-CD2 4.43Å; M220-L244 HydrophobicContact SD-CG 4.26Å; Q240-L244 WeakPolarHBondContact O-CA 3.37Å; Q240-L244 WeakPolarHBondContact O-CB 3.17Å; Q240-L244 PolarHBondContact O-N 3.13Å; L244-T248 VanDerWaalsContact O-CB 3.24Å; L244-T248 WeakPolarHBondContact O-CB 3.34Å; L244-T248 PolarHBondContact O-N 3.05Å; L244-T248 PolarHBondContact O-OG1 3.01Å
245	F	98.8	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-66.9	-53.6	-168.3	-67	-77.4	0	0	0	111.6	V191 W212 I219 M220 I223 L233 V236 Q240 L249 F281	V191-F245 HydrophobicContact CG2-CZ 4.25Å; W212-F245 HydrophobicContact CH2-CE2 4.17Å; W212-F245 HydrophobicContact CH2-CZ 4.04Å; W212-F245 HydrophobicContact CZ2-CE2 4.35Å; I219-F245 HydrophobicContact CG2-CE1 3.87Å; I219-F245 HydrophobicContact CG2-CZ 4.18Å; M220-F245 HydrophobicContact SD-CD1 3.55Å; M220-F245 VanDerWaalsContact SD-CD1 3.55Å; M220-F245 HydrophobicContact SD-CE1 3.75Å; M220-F245 HydrophobicContact SD-CG 4.5Å; I223-F245 HydrophobicContact CD1-CD1 4.12Å; I223-F245 HydrophobicContact CD1-CE1 3.81Å; L233-F245 HydrophobicContact CD1-CD1 3.83Å; L233-F245 HydrophobicContact CD1-CE1 3.92Å; V236-F245 HydrophobicContact CG1-CD2 3.74Å; V236-F245 HydrophobicContact CG1-CE2 3.91Å; Q240-F245 HydrophobicContact CB-CD2 4.21Å; Q240-F245 HydrophobicContact CB-CE2 4Å; Q240-F245 WeakPolarHBondContact O-CD2 3.08Å; Q240-F245 PolarHBondContact O-N 3.39Å; F245-L249 WeakPolarHBondContact O-CB 3.35Å; F245-L249 WeakPolarHBondContact O-CG 3.33Å; F245-L249 PolarHBondContact O-N 3.47Å; F245-F281 HydrophobicContact CB-CE1 4.47Å; F245-F281 HydrophobicContact CB-CE2 4.46Å; F245-F281 HydrophobicContact CB-CZ 3.75Å
246	L	98.6	Very high	98.3	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-41.9	-178.1	-175.2	63.7	0	0	0	112	Y241 Y242 K250 F281	Y241-L246 HydrophobicContact CE1-CB 4.4Å; Y241-L246 HydrophobicContact CE1-CD2 3.92Å; Y241-L246 HydrophobicContact CE2-CB 4.35Å; Y241-L246 WeakPolarHBondContact O-CB 3.38Å; Y241-L246 PolarHBondContact O-N 3.5Å; Y242-L246 HydrophobicContact CD1-CD2 4.46Å; L246-K250 HydrophobicContact CD1-CD 4.26Å; L246-K250 HydrophobicContact CD1-CG 4.22Å; L246-K250 HydrophobicContact CG-CD 4.06Å; L246-K250 HydrophobicContact CG-CG 4.43Å; L246-K250 VanDerWaalsContact O-CB 3.26Å; L246-K250 WeakPolarHBondContact O-CB 3.35Å; L246-K250 WeakPolarHBondContact O-CG 3.49Å; L246-K250 PolarHBondContact O-N 3.4Å; L246-F281 HydrophobicContact CB-CE1 4.38Å; L246-F281 HydrophobicContact CD1-CD1 4.5Å; L246-F281 HydrophobicContact CD1-CE1 4.08Å
247	E	97.5	Very high	98.3	Very high	120 Å²	120	51.1 Å²	51.1	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-62.5	-51.8	179.2	-170	171.6	177.8	0	0	111	L249 K250 D251	E247-L249 PolarHBondContact O-N 2.81Å; E247-K250 PolarHBondContact O-N 2.86Å; E247-D251 PolarHBondContact O-N 3.26Å
248	T	97.8	Very high	98.3	Very high	50 Å²	50	51.5 Å²	51.5	31%	0.307	26%	0.257	S	S	.	.	H	α-helix	trans	-66.7	-37.9	-178.8	-49.8	0	0	0	0	112.6	M220 L244	M220-T248 HydrophobicContact CE-CG2 3.65Å; L244-T248 VanDerWaalsContact O-CB 3.24Å; L244-T248 WeakPolarHBondContact O-CB 3.34Å; L244-T248 PolarHBondContact O-N 3.05Å; L244-T248 PolarHBondContact O-OG1 3.01Å
249	L	98.6	Very high	98.3	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-77.3	-28.1	-179.3	-67.1	174.2	0	0	0	112.1	M220 I223 I231 F245 E247 D251 R252 G253 Y254 F281	M220-L249 HydrophobicContact CE-CD2 4.45Å; M220-L249 HydrophobicContact CE-CG 4.42Å; I223-L249 HydrophobicContact CG2-CD2 3.96Å; I231-L249 HydrophobicContact CD1-CD1 4.38Å; I231-L249 HydrophobicContact CD1-CD2 4.28Å; F245-L249 WeakPolarHBondContact O-CB 3.35Å; F245-L249 WeakPolarHBondContact O-CG 3.33Å; F245-L249 PolarHBondContact O-N 3.47Å; E247-L249 PolarHBondContact O-N 2.81Å; L249-D251 VanDerWaalsContact C-N 3.3Å; L249-D251 PolarHBondContact O-N 2.77Å; L249-R252 CarbonylContact O-C 3.42Å; L249-R252 WeakPolarHBondContact O-CA 3.37Å; L249-R252 PolarHBondContact O-N 2.86Å; L249-G253 PolarHBondContact O-N 3.38Å; L249-Y254 HydrophobicContact CB-CD2 4.17Å; L249-Y254 HydrophobicContact CB-CG 4.19Å; L249-Y254 HydrophobicContact CD2-CD2 4.25Å; L249-Y254 HydrophobicContact CD2-CE2 4.34Å; L249-Y254 WeakPolarHBondContact O-CB 3.49Å; L249-Y254 VanDerWaalsContact O-CD2 3.31Å; L249-Y254 WeakPolarHBondContact O-CD2 3.25Å; L249-Y254 PolarHBondContact O-N 2.8Å; L249-Y254 VanDerWaalsContact O-N 3.07Å; L249-F281 HydrophobicContact CB-CD1 4.35Å; L249-F281 HydrophobicContact CD1-CB 4.27Å; L249-F281 HydrophobicContact CD1-CD1 3.62Å; L249-F281 HydrophobicContact CD1-CD2 3.77Å; L249-F281 HydrophobicContact CD1-CE1 3.79Å; L249-F281 HydrophobicContact CD1-CE2 3.93Å; L249-F281 HydrophobicContact CD1-CG 3.61Å; L249-F281 HydrophobicContact CD1-CZ 3.93Å
250	K	98.1	Very high	98.3	Very high	109 Å²	109	50.3 Å²	50.3	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-40.8	171.9	-86.6	176.5	174.8	177.8	0	112.5	L246 E247 R252 G253 Y254	L246-K250 HydrophobicContact CD1-CD 4.26Å; L246-K250 HydrophobicContact CD1-CG 4.22Å; L246-K250 HydrophobicContact CG-CD 4.06Å; L246-K250 HydrophobicContact CG-CG 4.43Å; L246-K250 VanDerWaalsContact O-CB 3.26Å; L246-K250 WeakPolarHBondContact O-CB 3.35Å; L246-K250 WeakPolarHBondContact O-CG 3.49Å; L246-K250 PolarHBondContact O-N 3.4Å; E247-K250 PolarHBondContact O-N 2.86Å; K250-R252 PolarHBondContact O-N 2.88Å; K250-R252 VanDerWaalsContact O-N 3.09Å; K250-G253 PolarHBondContact O-N 2.94Å; K250-Y254 WeakPolarHBondContact CA-O 3.25Å; K250-Y254 WeakPolarHBondContact CG-O 3.23Å
251	D	97.1	Very high	98.2	Very high	144 Å²	144	49.8 Å²	49.8	77%	0.77	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.2	175.2	-70.1	-14.8	0	0	0	112.9	E247 L249	E247-D251 PolarHBondContact O-N 3.26Å; L249-D251 VanDerWaalsContact C-N 3.3Å; L249-D251 PolarHBondContact O-N 2.77Å
252	R	97.3	Very high	97.7	Very high	123 Å²	123	49.8 Å²	49.8	46%	0.464	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.5	175.8	-65.3	-174.6	168.4	-127	4.4	113.8	T224 L249 K250 Y254	T224-R252 VanDerWaalsContact CB-CZ 3.41Å; T224-R252 VanDerWaalsContact CG2-CZ 3.47Å; T224-R252 PolarHBondContact O-NH1 3.16Å; L249-R252 CarbonylContact O-C 3.42Å; L249-R252 WeakPolarHBondContact O-CA 3.37Å; L249-R252 PolarHBondContact O-N 2.86Å; K250-R252 PolarHBondContact O-N 2.88Å; K250-R252 VanDerWaalsContact O-N 3.09Å; R252-Y254 HydrophobicContact CB-CD2 3.89Å; R252-Y254 HydrophobicContact CB-CE2 3.93Å
253	G	98.4	Very high	97.3	Very high	33 Å²	33	45.6 Å²	45.6	34%	0.34	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	21.7	175.3	0	0	0	0	0	114.7	L249 K250 K283 T284	L249-G253 PolarHBondContact O-N 3.38Å; K250-G253 PolarHBondContact O-N 2.94Å; G253-K283 CarbonylContact O-C 3.58Å; G253-K283 WeakPolarHBondContact O-CA 3.42Å; G253-T284 PolarHBondContact O-N 3.48Å; G253-T284 PolarHBondContact O-OG1 3.1Å
254	Y	98.8	Very high	96.8	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.8	172.3	-64.2	-101.8	0	0	0	111.6	A228 I231 L249 K250 R252 F281 F282 K283	A228-Y254 WeakPolarHBondContact O-CE1 3.4Å; A228-Y254 VanDerWaalsContact O-CZ 3.25Å; A228-Y254 PolarHBondContact O-OH 3.05Å; I231-Y254 HydrophobicContact CD1-CD1 4.16Å; I231-Y254 HydrophobicContact CD1-CE1 3.51Å; I231-Y254 HydrophobicContact CG1-CE1 4.14Å; L249-Y254 HydrophobicContact CB-CD2 4.17Å; L249-Y254 HydrophobicContact CB-CG 4.19Å; L249-Y254 HydrophobicContact CD2-CD2 4.25Å; L249-Y254 HydrophobicContact CD2-CE2 4.34Å; L249-Y254 WeakPolarHBondContact O-CB 3.49Å; L249-Y254 VanDerWaalsContact O-CD2 3.31Å; L249-Y254 WeakPolarHBondContact O-CD2 3.25Å; L249-Y254 PolarHBondContact O-N 2.8Å; L249-Y254 VanDerWaalsContact O-N 3.07Å; K250-Y254 WeakPolarHBondContact CA-O 3.25Å; K250-Y254 WeakPolarHBondContact CG-O 3.23Å; R252-Y254 HydrophobicContact CB-CD2 3.89Å; R252-Y254 HydrophobicContact CB-CE2 3.93Å; Y254-F281 HydrophobicContact CD1-CB 3.93Å; Y254-F282 WeakPolarHBondContact CA-O 3.46Å; Y254-K283 HydrophobicContact CD1-CG 4.01Å; Y254-K283 HydrophobicContact CD2-CG 4.42Å; Y254-K283 HydrophobicContact CE1-CG 3.6Å; Y254-K283 HydrophobicContact CE2-CG 4.06Å; Y254-K283 HydrophobicContact CG-CG 4.41Å; Y254-K283 VanDerWaalsContact CZ-CE 3.47Å; Y254-K283 WeakPolarHBondContact OH-CE 3.34Å
255	D	98.7	Very high	96.4	Very high	63 Å²	63	47.5 Å²	47.5	34%	0.337	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	169.5	153.3	-163.4	11.6	0	0	0	108.6	F281 F282 T284	D255-F281 VanDerWaalsContact O-CA 3.26Å; D255-F281 WeakPolarHBondContact O-CA 3.49Å; D255-F282 HydrophobicContact CB-CE2 3.96Å; D255-F282 HydrophobicContact CB-CZ 3.96Å; D255-F282 PolarHBondContact N-O 3.1Å; D255-F282 PolarHBondContact O-N 2.77Å; D255-T284 HydrophobicContact CB-CG2 3.64Å
256	G	98.4	Very high	96	Very high	13 Å²	13	54.8 Å²	54.8	13%	0.134	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	160.5	-176	0	0	0	0	0	115.4	Y241 I280	Y241-G256 PolarHBondContact OH-O 2.58Å; Y241-G256 VanDerWaalsContact OH-O 3.09Å; G256-I280 CarbonylContact C-O 3.58Å; G256-I280 WeakPolarHBondContact CA-O 3.49Å
257	Y	98.8	Very high	95.7	Very high	34 Å²	34	55.9 Å²	55.9	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.6	171.7	177.7	-121.8	0	0	0	110	A279 I280 K292 H293 T294 V323 V325	Y257-A279 CarbonylContact O-C 3.54Å; Y257-A279 VanDerWaalsContact O-CA 3.22Å; Y257-A279 WeakPolarHBondContact O-CA 3.46Å; Y257-I280 PolarHBondContact N-O 2.86Å; Y257-I280 PolarHBondContact O-N 3.23Å; Y257-K292 HydrophobicContact CD1-CB 4.12Å; Y257-K292 HydrophobicContact CD2-CB 3.94Å; Y257-K292 HydrophobicContact CD2-CD 3.69Å; Y257-K292 HydrophobicContact CD2-CG 4.27Å; Y257-K292 HydrophobicContact CE1-CB 4.13Å; Y257-K292 HydrophobicContact CE2-CB 3.95Å; Y257-K292 HydrophobicContact CE2-CD 3.66Å; Y257-K292 HydrophobicContact CE2-CG 4.01Å; Y257-K292 HydrophobicContact CG-CB 4.02Å; Y257-H293 WeakPolarHBondContact CE1-O 3.47Å; Y257-T294 PolarHBondContact OH-OG1 2.78Å; Y257-V323 HydrophobicContact CD1-CB 4.04Å; Y257-V323 HydrophobicContact CD1-CG1 4.4Å; Y257-V323 HydrophobicContact CE1-CB 3.77Å; Y257-V323 HydrophobicContact CE1-CG1 3.85Å; Y257-V325 HydrophobicContact CD1-CG1 3.84Å; Y257-V325 HydrophobicContact CG-CG1 4.08Å
258	F	98.8	Very high	95.6	Very high	14 Å²	14	53 Å²	53	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.8	179	166.3	-103.3	0	0	0	111.1	V236 T238 Y241 P260 C278 A279	V236-F258 HydrophobicContact CB-CD2 4.31Å; V236-F258 HydrophobicContact CB-CE2 3.99Å; V236-F258 HydrophobicContact CG1-CD2 4.26Å; V236-F258 HydrophobicContact CG1-CE2 4.1Å; V236-F258 VanDerWaalsContact O-CE2 3.24Å; V236-F258 WeakPolarHBondContact O-CE2 3.45Å; T238-F258 HydrophobicContact CG2-CE1 4.17Å; Y241-F258 HydrophobicContact CD1-CB 3.61Å; Y241-F258 AromaticContact CD1-CD1 3.71Å; Y241-F258 HydrophobicContact CD1-CD1 3.71Å; Y241-F258 AromaticContact CD1-CG 3.79Å; Y241-F258 HydrophobicContact CD1-CG 3.79Å; Y241-F258 HydrophobicContact CD2-CB 3.42Å; Y241-F258 VanDerWaalsContact CD2-CB 3.42Å; Y241-F258 HydrophobicContact CD2-CD1 4.46Å; Y241-F258 HydrophobicContact CD2-CD2 4.13Å; Y241-F258 AromaticContact CD2-CG 3.76Å; Y241-F258 HydrophobicContact CD2-CG 3.76Å; Y241-F258 HydrophobicContact CE1-CB 3.51Å; Y241-F258 HydrophobicContact CE1-CD1 4.31Å; Y241-F258 HydrophobicContact CE1-CG 4.21Å; Y241-F258 HydrophobicContact CE2-CB 3.32Å; Y241-F258 HydrophobicContact CE2-CG 4.19Å; Y241-F258 HydrophobicContact CG-CB 3.55Å; Y241-F258 AromaticContact CG-CD1 3.78Å; Y241-F258 HydrophobicContact CG-CD1 3.78Å; Y241-F258 HydrophobicContact CG-CD2 4.11Å; Y241-F258 AromaticContact CG-CG 3.53Å; Y241-F258 HydrophobicContact CG-CG 3.53Å; F258-P260 HydrophobicContact CE1-CB 4.19Å; F258-P260 HydrophobicContact CE1-CG 4.34Å; F258-P260 HydrophobicContact CZ-CB 3.97Å; F258-C278 WeakPolarHBondContact CA-O 3.42Å; F258-C278 VanDerWaalsContact CD2-O 3.31Å; F258-C278 WeakPolarHBondContact CD2-O 3.39Å; F258-A279 HydrophobicContact CB-CB 4.25Å; F258-A279 HydrophobicContact CD2-CB 4.1Å
259	C	98.5	Very high	95.3	Very high	23 Å²	23	57.5 Å²	57.5	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.2	168.2	-162.4	0	0	0	0	109.9	G277 C278 T294 I321 V323	C259-G277 WeakPolarHBondContact O-CA 3.07Å; C259-C278 PolarHBondContact N-O 3.23Å; C259-C278 VanDerWaalsContact N-O 3.11Å; C259-C278 PolarHBondContact O-N 3.04Å; C259-C278 VanDerWaalsContact O-N 3.11Å; C259-T294 HydrophobicContact CB-CG2 4.2Å; C259-T294 WeakPolarHBondContact CB-OG1 3.25Å; C259-T294 VanDerWaalsContact SG-CG2 3.54Å; C259-T294 PolarHBondContact SG-OG1 2.78Å; C259-T294 VanDerWaalsContact SG-OG1 3.32Å; C259-I321 HydrophobicContact CB-CD1 4.02Å; C259-I321 WeakPolarHBondContact O-CD1 3.36Å; C259-V323 HydrophobicContact CB-CG1 3.51Å
260	P	97.9	Very high	95	Very high	33 Å²	33	63 Å²	63	21%	0.214	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	158.8	171.1	32.3	-34.3	0	0	0	111.5	T238 F258 A264 V275	T238-P260 WeakPolarHBondContact OG1-CB 3.46Å; F258-P260 HydrophobicContact CE1-CB 4.19Å; F258-P260 HydrophobicContact CE1-CG 4.34Å; F258-P260 HydrophobicContact CZ-CB 3.97Å; P260-A264 HydrophobicContact CB-CB 3.95Å; P260-A264 HydrophobicContact CG-CB 3.8Å; P260-V275 HydrophobicContact CB-CB 4.5Å; P260-V275 HydrophobicContact CB-CG1 4.02Å
261	K	95.9	Very high	94.8	Very high	12 Å²	12	63.1 Å²	63.1	5%	0.052	32%	0.324	C	S	.	.			trans	-55	151.1	171.6	-75.9	-175	-58.8	-147.1	0	112.1	R263 A264 V275 D276 D319 I321	K261-R263 HydrophobicContact CB-CG 4.28Å; K261-R263 VanDerWaalsContact CE-NH2 3.28Å; K261-R263 VanDerWaalsContact NZ-NH2 3.19Å; K261-R263 PolarHBondContact O-N 2.78Å; K261-A264 VanDerWaalsContact O-CB 3.31Å; K261-A264 WeakPolarHBondContact O-CB 3.36Å; K261-A264 PolarHBondContact O-N 2.91Å; K261-V275 HydrophobicContact CB-CG1 4.2Å; K261-D276 VanDerWaalsContact CE-CG 3.47Å; K261-D276 WeakPolarHBondContact CE-OD1 3.45Å; K261-D276 VanDerWaalsContact CE-OD2 3.23Å; K261-D276 WeakPolarHBondContact CE-OD2 3.42Å; K261-D276 WeakPolarHBondContact CG-O 3.33Å; K261-D276 PolarHBondContact N-O 3.38Å; K261-D276 IonicContact NZ-OD1 3.65Å; K261-D276 PolarHBondContact NZ-OD1 3.46Å; K261-D276 IonicContact NZ-OD2 2.65Å; K261-D276 PolarHBondContact NZ-OD2 2.9Å; K261-D319 WeakPolarHBondContact CB-O 3.31Å; K261-I321 HydrophobicContact CG-CG1 4.19Å
262	S	88.8	Confident	94.6	Very high	11 Å²	11	61 Å²	61	8%	0.077	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.6	-25.8	-171.1	-61.6	0	0	0	0	114.2	A264 K265 E296 D319	S262-A264 PolarHBondContact O-N 2.73Å; S262-A264 VanDerWaalsContact O-N 3.1Å; S262-K265 WeakPolarHBondContact O-CB 3.47Å; S262-K265 PolarHBondContact O-N 2.95Å; S262-K265 VanDerWaalsContact O-N 3.16Å; S262-E296 WeakPolarHBondContact CB-OE2 3.39Å; S262-E296 VanDerWaalsContact OG-CD 3.29Å; S262-E296 WeakPolarHBondContact OG-CG 3.4Å; S262-E296 PolarHBondContact OG-OE2 3.27Å; S262-D319 PolarHBondContact N-O 2.65Å
263	R	90.4	Very high	94.5	Very high	46 Å²	46	58.4 Å²	58.4	17%	0.174	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.1	-22	174.6	65	170.3	171.8	-129.5	16.1	114.3	Y196 K261 K265 L266 V267 V275 D276 D319	Y196-R263 PolarHBondContact OH-NH2 2.76Å; K261-R263 HydrophobicContact CB-CG 4.28Å; K261-R263 VanDerWaalsContact CE-NH2 3.28Å; K261-R263 VanDerWaalsContact NZ-NH2 3.19Å; K261-R263 PolarHBondContact O-N 2.78Å; R263-K265 PolarHBondContact O-N 3.11Å; R263-L266 PolarHBondContact O-N 3.28Å; R263-V267 PolarHBondContact O-N 3.2Å; R263-V275 HydrophobicContact CG-CG1 3.76Å; R263-V275 HydrophobicContact CG-CG2 4.22Å; R263-D276 IonicContact CZ-OD1 3.68Å; R263-D276 IonicContact NH2-OD1 3.2Å; R263-D276 PolarHBondContact NH2-OD1 2.85Å; R263-D319 HydrophobicContact CB-CB 4.4Å; R263-D319 WeakPolarHBondContact CB-OD2 3.32Å; R263-D319 WeakPolarHBondContact CD-OD2 3.44Å; R263-D319 WeakPolarHBondContact CG-OD2 3.37Å; R263-D319 IonicContact CZ-OD2 2.65Å; R263-D319 IonicContact NE-OD2 3.73Å; R263-D319 IonicContact NH1-OD1 2.89Å; R263-D319 IonicContact NH1-OD2 2.73Å; R263-D319 PolarHBondContact NH1-OD2 2.95Å
264	A	86.3	Confident	94.4	Very high	8 Å²	8	60 Å²	60	7%	0.066	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-53.2	-27.8	174.9	0	0	0	0	0	113.3	P260 K261 S262 L266 R272 V275	P260-A264 HydrophobicContact CB-CB 3.95Å; P260-A264 HydrophobicContact CG-CB 3.8Å; K261-A264 VanDerWaalsContact O-CB 3.31Å; K261-A264 WeakPolarHBondContact O-CB 3.36Å; K261-A264 PolarHBondContact O-N 2.91Å; S262-A264 PolarHBondContact O-N 2.73Å; S262-A264 VanDerWaalsContact O-N 3.1Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-R272 HydrophobicContact CB-CG 3.94Å; A264-R272 PolarHBondContact O-NE 3.44Å; A264-R272 VanDerWaalsContact O-NE 3.08Å; A264-V275 HydrophobicContact CB-CB 4.21Å; A264-V275 HydrophobicContact CB-CG1 3.98Å; A264-V275 HydrophobicContact CB-CG2 4.39Å
265	K	90.4	Very high	94.4	Very high	132 Å²	132	59.8 Å²	59.8	57%	0.574	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-75.1	-19.2	178.1	-61.1	175.2	-176.5	169.6	0	113.7	S262 R263 E296	S262-K265 WeakPolarHBondContact O-CB 3.47Å; S262-K265 PolarHBondContact O-N 2.95Å; S262-K265 VanDerWaalsContact O-N 3.16Å; R263-K265 PolarHBondContact O-N 3.11Å; K265-E296 IonicContact NZ-OE1 3.28Å; K265-E296 PolarHBondContact NZ-OE1 3.31Å; K265-E296 IonicContact NZ-OE2 3.84Å; K265-E296 PolarHBondContact NZ-OE2 3.3Å
266	L	91.3	Very high	94.3	Very high	154 Å²	154	56.8 Å²	56.8	81%	0.806	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-11.8	-172.3	-56.8	179.5	0	0	0	113.4	R263 A264	R263-L266 PolarHBondContact O-N 3.28Å; A264-L266 VanDerWaalsContact C-N 3.33Å
267	V	92.9	Very high	94.3	Very high	41 Å²	41	56.2 Å²	56.2	25%	0.248	27%	0.273	C	S	.	.	S	Bend	trans	-104.5	162.6	-173.9	-60.4	0	0	0	0	112	R263 E271 R272 V275	R263-V267 PolarHBondContact O-N 3.2Å; V267-E271 HydrophobicContact CB-CB 3.85Å; V267-E271 HydrophobicContact CG2-CB 4.02Å; V267-R272 HydrophobicContact CG2-CB 4.07Å; V267-R272 PolarHBondContact O-NH2 3.18Å; V267-V275 HydrophobicContact CG2-CG2 3.98Å
268	S	94.9	Very high	94.3	Very high	58 Å²	58	54.7 Å²	54.7	41%	0.406	27%	0.267	S	S	.	.			trans	-60.4	161.4	174.8	66.6	0	0	0	0	111.8	Q270 E271 R272	S268-Q270 VanDerWaalsContact C-N 3.26Å; S268-Q270 PolarHBondContact O-N 3.08Å; S268-E271 WeakPolarHBondContact CB-OE2 3.34Å; S268-E271 PolarHBondContact N-OE2 3.11Å; S268-E271 PolarHBondContact O-N 2.99Å; S268-E271 WeakPolarHBondContact OG-CB 3.18Å; S268-E271 VanDerWaalsContact OG-CD 3.3Å; S268-E271 VanDerWaalsContact OG-CG 3.28Å; S268-E271 WeakPolarHBondContact OG-CG 3.5Å; S268-E271 PolarHBondContact OG-N 3.18Å; S268-E271 PolarHBondContact OG-OE2 2.94Å; S268-R272 WeakPolarHBondContact O-CB 3.5Å; S268-R272 PolarHBondContact O-N 3.35Å
269	E	91.3	Very high	94.3	Very high	146 Å²	146	54 Å²	54	68%	0.682	26%	0.264	S	S	*	.	H	α-helix	trans	-59.2	-37.6	178.2	-172.4	175.2	-176.6	0	0	112.5	R272 K273	E269-R272 WeakPolarHBondContact O-CB 3.24Å; E269-R272 PolarHBondContact O-N 3.23Å; E269-K273 PolarHBondContact O-N 2.91Å
270	Q	92.1	Very high	94.4	Very high	118 Å²	118	52.9 Å²	52.9	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-67.2	-42.8	177.4	-175	59.8	29	0	0	112.1	S268 R272 K273 H274	S268-Q270 VanDerWaalsContact C-N 3.26Å; S268-Q270 PolarHBondContact O-N 3.08Å; Q270-R272 VanDerWaalsContact C-N 3.33Å; Q270-K273 WeakPolarHBondContact O-CB 3.38Å; Q270-H274 PolarHBondContact O-CD2 3.42Å
271	E	93.3	Very high	94.4	Very high	110 Å²	110	51.3 Å²	51.3	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-70.2	-32.4	177.1	-70.5	166.1	133.8	0	0	112.1	V267 S268 K273 H274 V275	V267-E271 HydrophobicContact CB-CB 3.85Å; V267-E271 HydrophobicContact CG2-CB 4.02Å; S268-E271 WeakPolarHBondContact CB-OE2 3.34Å; S268-E271 PolarHBondContact N-OE2 3.11Å; S268-E271 PolarHBondContact O-N 2.99Å; S268-E271 WeakPolarHBondContact OG-CB 3.18Å; S268-E271 VanDerWaalsContact OG-CD 3.3Å; S268-E271 VanDerWaalsContact OG-CG 3.28Å; S268-E271 WeakPolarHBondContact OG-CG 3.5Å; S268-E271 PolarHBondContact OG-N 3.18Å; S268-E271 PolarHBondContact OG-OE2 2.94Å; E271-K273 PolarHBondContact O-N 3.46Å; E271-H274 PolarHBondContact O-N 2.92Å; E271-V275 PolarHBondContact O-N 2.85Å
272	R	94.3	Very high	94.6	Very high	101 Å²	101	50.9 Å²	50.9	38%	0.381	25%	0.245	S	C	.	.	H	α-helix	trans	-58.4	-35.5	179.3	-165.4	-179	-52.8	141	14.9	112.3	T238 A264 V267 S268 E269 Q270 H274 V275	T238-R272 WeakPolarHBondContact CB-O 3.41Å; T238-R272 PolarHBondContact OG1-O 3.32Å; A264-R272 HydrophobicContact CB-CG 3.94Å; A264-R272 PolarHBondContact O-NE 3.44Å; A264-R272 VanDerWaalsContact O-NE 3.08Å; V267-R272 HydrophobicContact CG2-CB 4.07Å; V267-R272 PolarHBondContact O-NH2 3.18Å; S268-R272 WeakPolarHBondContact O-CB 3.5Å; S268-R272 PolarHBondContact O-N 3.35Å; E269-R272 WeakPolarHBondContact O-CB 3.24Å; E269-R272 PolarHBondContact O-N 3.23Å; Q270-R272 VanDerWaalsContact C-N 3.33Å; R272-H274 PolarHBondContact O-N 2.9Å; R272-V275 PolarHBondContact O-N 3.1Å
273	K	95.4	Very high	95	Very high	67 Å²	67	51.1 Å²	51.1	29%	0.291	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.4	175.5	-70.3	176.3	167.2	-143.7	0	113.1	T238 E239 E269 Q270 E271	T238-K273 WeakPolarHBondContact CB-O 3.45Å; T238-K273 PolarHBondContact N-O 3.47Å; E239-K273 HydrophobicContact CB-CB 3.99Å; E239-K273 HydrophobicContact CB-CG 4.38Å; E239-K273 PolarHBondContact N-O 3.22Å; E239-K273 WeakPolarHBondContact OE1-CD 3.5Å; E239-K273 WeakPolarHBondContact OE1-CE 3.33Å; E239-K273 IonicContact OE1-NZ 3.93Å; E239-K273 PolarHBondContact OE1-NZ 2.78Å; E269-K273 PolarHBondContact O-N 2.91Å; Q270-K273 WeakPolarHBondContact O-CB 3.38Å; E271-K273 PolarHBondContact O-N 3.46Å
274	H	95.8	Very high	95.4	Very high	68 Å²	68	52.6 Å²	52.6	32%	0.315	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.3	-178.6	-56.9	-67.6	0	0	0	113.1	E237 Q270 E271 R272 D276	E237-H274 IonicContact OE2-CG 2.79Å; E237-H274 IonicContact OE2-ND1 2.97Å; E237-H274 PolarHBondContact OE2-ND1 2.82Å; E237-H274 VanDerWaalsContact OE2-ND1 3.12Å; Q270-H274 PolarHBondContact O-CD2 3.42Å; E271-H274 PolarHBondContact O-N 2.92Å; R272-H274 PolarHBondContact O-N 2.9Å; H274-D276 PolarHBondContact O-N 3.19Å
275	V	97.6	Very high	96	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	29%	0.285	C	S	.	.			trans	-77.7	121.5	169.5	178.4	0	0	0	0	107.9	T238 P260 K261 R263 A264 V267 E271 R272	T238-V275 PolarHBondContact N-O 2.98Å; T238-V275 PolarHBondContact OG1-O 3.21Å; P260-V275 HydrophobicContact CB-CB 4.5Å; P260-V275 HydrophobicContact CB-CG1 4.02Å; K261-V275 HydrophobicContact CB-CG1 4.2Å; R263-V275 HydrophobicContact CG-CG1 3.76Å; R263-V275 HydrophobicContact CG-CG2 4.22Å; A264-V275 HydrophobicContact CB-CB 4.21Å; A264-V275 HydrophobicContact CB-CG1 3.98Å; A264-V275 HydrophobicContact CB-CG2 4.39Å; V267-V275 HydrophobicContact CG2-CG2 3.98Å; E271-V275 PolarHBondContact O-N 2.85Å; R272-V275 PolarHBondContact O-N 3.1Å
276	D	98.1	Very high	96.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	160.9	176.2	68.1	-63.9	0	0	0	112.5	C193 V236 K261 R263 H274	C193-D276 HydrophobicContact CB-CB 4.12Å; V236-D276 CarbonylContact O-C 3.51Å; V236-D276 VanDerWaalsContact O-CA 3.23Å; V236-D276 WeakPolarHBondContact O-CA 3.28Å; K261-D276 VanDerWaalsContact CE-CG 3.47Å; K261-D276 WeakPolarHBondContact CE-OD1 3.45Å; K261-D276 VanDerWaalsContact CE-OD2 3.23Å; K261-D276 WeakPolarHBondContact CE-OD2 3.42Å; K261-D276 WeakPolarHBondContact CG-O 3.33Å; K261-D276 PolarHBondContact N-O 3.38Å; K261-D276 IonicContact NZ-OD1 3.65Å; K261-D276 PolarHBondContact NZ-OD1 3.46Å; K261-D276 IonicContact NZ-OD2 2.65Å; K261-D276 PolarHBondContact NZ-OD2 2.9Å; R263-D276 IonicContact CZ-OD1 3.68Å; R263-D276 IonicContact NH2-OD1 3.2Å; R263-D276 PolarHBondContact NH2-OD1 2.85Å; H274-D276 PolarHBondContact O-N 3.19Å
277	G	98.5	Very high	96.7	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-155.3	175.9	0	0	0	0	0	113.1	E235 V236 C259	E235-G277 PolarHBondContact N-O 3.2Å; V236-G277 PolarHBondContact N-O 2.81Å; V236-G277 PolarHBondContact O-N 2.71Å; C259-G277 WeakPolarHBondContact O-CA 3.07Å
278	C	98.9	Very high	96.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.8	-176.5	-65.4	0	0	0	0	111.1	L233 F258 C259 V323	L233-C278 WeakPolarHBondContact O-CA 3.35Å; F258-C278 WeakPolarHBondContact CA-O 3.42Å; F258-C278 VanDerWaalsContact CD2-O 3.31Å; F258-C278 WeakPolarHBondContact CD2-O 3.39Å; C259-C278 PolarHBondContact N-O 3.23Å; C259-C278 VanDerWaalsContact N-O 3.11Å; C259-C278 PolarHBondContact O-N 3.04Å; C259-C278 VanDerWaalsContact O-N 3.11Å; C278-V323 HydrophobicContact CB-CG1 4.36Å; C278-V323 HydrophobicContact CB-CG2 3.72Å
279	A	98.9	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.8	174	0	0	0	0	0	111.4	S232 L233 V236 Y241 Y257 F258 F281 N350	S232-A279 WeakPolarHBondContact CA-O 3.27Å; L233-A279 HydrophobicContact CB-CB 4.49Å; L233-A279 PolarHBondContact N-O 3.18Å; L233-A279 PolarHBondContact O-N 3.06Å; V236-A279 HydrophobicContact CG2-CB 4.15Å; Y241-A279 HydrophobicContact CD2-CB 4.1Å; Y241-A279 HydrophobicContact CE2-CB 4.13Å; Y257-A279 CarbonylContact O-C 3.54Å; Y257-A279 VanDerWaalsContact O-CA 3.22Å; Y257-A279 WeakPolarHBondContact O-CA 3.46Å; F258-A279 HydrophobicContact CB-CB 4.25Å; F258-A279 HydrophobicContact CD2-CB 4.1Å; A279-F281 HydrophobicContact CB-CD2 4.37Å; A279-F281 HydrophobicContact CB-CE2 3.61Å; A279-F281 HydrophobicContact CB-CZ 4.06Å; A279-N350 PolarHBondContact O-ND2 2.75Å
280	I	98.9	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	167.7	-59.7	172.2	0	0	0	107.8	I230 I231 G256 Y257 V323 V325 V348 N350	I230-I280 HydrophobicContact CG2-CG2 4.29Å; I231-I280 CarbonylContact O-C 3.6Å; I231-I280 VanDerWaalsContact O-CA 3.29Å; I231-I280 WeakPolarHBondContact O-CA 3.38Å; G256-I280 CarbonylContact C-O 3.58Å; G256-I280 WeakPolarHBondContact CA-O 3.49Å; Y257-I280 PolarHBondContact N-O 2.86Å; Y257-I280 PolarHBondContact O-N 3.23Å; I280-V323 HydrophobicContact CD1-CG2 3.9Å; I280-V323 HydrophobicContact CG1-CG2 3.97Å; I280-V325 HydrophobicContact CB-CG2 4.31Å; I280-V325 HydrophobicContact CD1-CG2 4.04Å; I280-V325 HydrophobicContact CG2-CG2 3.75Å; I280-V348 HydrophobicContact CD1-CG1 4.16Å; I280-V348 WeakPolarHBondContact CD1-O 3.46Å; I280-V348 HydrophobicContact CG2-CG1 4.02Å; I280-N350 HydrophobicContact CD1-CB 3.77Å; I280-N350 HydrophobicContact CG1-CB 3.61Å
281	F	98.9	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.7	171.6	-54.9	-93.1	0	0	0	110.2	I230 I231 L233 Y241 F245 L246 L249 Y254 D255 A279	I230-F281 CarbonylContact C-O 3.53Å; I230-F281 WeakPolarHBondContact CA-O 3.48Å; I231-F281 HydrophobicContact CB-CB 4.22Å; I231-F281 HydrophobicContact CB-CD2 4.38Å; I231-F281 HydrophobicContact CG2-CD2 4.47Å; I231-F281 PolarHBondContact N-O 3.25Å; I231-F281 PolarHBondContact O-N 3.39Å; L233-F281 HydrophobicContact CD1-CD2 4.48Å; L233-F281 HydrophobicContact CD1-CE2 3.88Å; L233-F281 HydrophobicContact CG-CE2 4.33Å; Y241-F281 HydrophobicContact CD2-CE1 4.33Å; Y241-F281 AromaticContact CD2-CZ 3.77Å; Y241-F281 HydrophobicContact CD2-CZ 3.77Å; Y241-F281 AromaticContact CE2-CE1 3.66Å; Y241-F281 HydrophobicContact CE2-CE1 3.66Å; Y241-F281 HydrophobicContact CE2-CE2 4.46Å; Y241-F281 AromaticContact CE2-CZ 3.48Å; Y241-F281 HydrophobicContact CE2-CZ 3.48Å; Y241-F281 VanDerWaalsContact CE2-CZ 3.48Å; F245-F281 HydrophobicContact CB-CE1 4.47Å; F245-F281 HydrophobicContact CB-CE2 4.46Å; F245-F281 HydrophobicContact CB-CZ 3.75Å; L246-F281 HydrophobicContact CB-CE1 4.38Å; L246-F281 HydrophobicContact CD1-CD1 4.5Å; L246-F281 HydrophobicContact CD1-CE1 4.08Å; L249-F281 HydrophobicContact CB-CD1 4.35Å; L249-F281 HydrophobicContact CD1-CB 4.27Å; L249-F281 HydrophobicContact CD1-CD1 3.62Å; L249-F281 HydrophobicContact CD1-CD2 3.77Å; L249-F281 HydrophobicContact CD1-CE1 3.79Å; L249-F281 HydrophobicContact CD1-CE2 3.93Å; L249-F281 HydrophobicContact CD1-CG 3.61Å; L249-F281 HydrophobicContact CD1-CZ 3.93Å; Y254-F281 HydrophobicContact CD1-CB 3.93Å; D255-F281 VanDerWaalsContact O-CA 3.26Å; D255-F281 WeakPolarHBondContact O-CA 3.49Å; A279-F281 HydrophobicContact CB-CD2 4.37Å; A279-F281 HydrophobicContact CB-CE2 3.61Å; A279-F281 HydrophobicContact CB-CZ 4.06Å
282	F	98.9	Very high	97.8	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.8	179.1	50	-88.5	0	0	0	110.7	D229 Y254 D255 T284 F287 L289 L327	D229-F282 WeakPolarHBondContact O-CA 3.5Å; Y254-F282 WeakPolarHBondContact CA-O 3.46Å; D255-F282 HydrophobicContact CB-CE2 3.96Å; D255-F282 HydrophobicContact CB-CZ 3.96Å; D255-F282 PolarHBondContact N-O 3.1Å; D255-F282 PolarHBondContact O-N 2.77Å; F282-T284 PolarHBondContact O-N 2.86Å; F282-F287 HydrophobicContact CB-CB 4.29Å; F282-F287 HydrophobicContact CB-CD2 4.15Å; F282-F287 HydrophobicContact CD2-CB 4.08Å; F282-F287 HydrophobicContact CG-CB 4.49Å; F282-L289 HydrophobicContact CE1-CD1 4.28Å; F282-L289 HydrophobicContact CE2-CB 4.1Å; F282-L289 HydrophobicContact CZ-CB 3.69Å; F282-L289 HydrophobicContact CZ-CD1 4.24Å; F282-L289 HydrophobicContact CZ-CD2 4.26Å; F282-L289 HydrophobicContact CZ-CG 4.28Å; F282-L327 HydrophobicContact CB-CD1 3.99Å; F282-L327 HydrophobicContact CD1-CD1 4.37Å; F282-L327 HydrophobicContact CD1-CD2 3.88Å; F282-L327 HydrophobicContact CD2-CD2 4.12Å; F282-L327 HydrophobicContact CE1-CD2 4.04Å; F282-L327 HydrophobicContact CE2-CD2 4.26Å; F282-L327 HydrophobicContact CG-CD1 4.12Å; F282-L327 HydrophobicContact CG-CD2 3.94Å; F282-L327 HydrophobicContact CZ-CD2 4.25Å
283	K	98.8	Very high	98	Very high	17 Å²	17	40.5 Å²	40.5	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	120.3	176.2	-71.1	-172.3	179.6	174.5	0	110.6	D227 D229 G253 Y254 E285 K286 F287	D227-K283 PolarHBondContact O-NZ 2.8Å; D227-K283 WeakPolarHBondContact OD1-CE 3.49Å; D227-K283 IonicContact OD1-NZ 3.91Å; D227-K283 PolarHBondContact OD1-NZ 2.98Å; D227-K283 IonicContact OD2-NZ 3.32Å; D227-K283 PolarHBondContact OD2-NZ 3.24Å; D229-K283 PolarHBondContact O-N 2.94Å; D229-K283 IonicContact OD1-NZ 3.68Å; G253-K283 CarbonylContact O-C 3.58Å; G253-K283 WeakPolarHBondContact O-CA 3.42Å; Y254-K283 HydrophobicContact CD1-CG 4.01Å; Y254-K283 HydrophobicContact CD2-CG 4.42Å; Y254-K283 HydrophobicContact CE1-CG 3.6Å; Y254-K283 HydrophobicContact CE2-CG 4.06Å; Y254-K283 HydrophobicContact CG-CG 4.41Å; Y254-K283 VanDerWaalsContact CZ-CE 3.47Å; Y254-K283 WeakPolarHBondContact OH-CE 3.34Å; K283-E285 HydrophobicContact CB-CG 4.4Å; K283-E285 PolarHBondContact O-N 2.89Å; K283-K286 HydrophobicContact CB-CB 4.4Å; K283-K286 PolarHBondContact O-N 3.33Å; K283-F287 PolarHBondContact O-N 3.24Å
284	T	98.5	Very high	98.1	Very high	76 Å²	76	39.4 Å²	39.4	47%	0.466	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.4	-174	57.4	0	0	0	0	113.5	G253 D255 F282 K286 F287	G253-T284 PolarHBondContact O-N 3.48Å; G253-T284 PolarHBondContact O-OG1 3.1Å; D255-T284 HydrophobicContact CB-CG2 3.64Å; F282-T284 PolarHBondContact O-N 2.86Å; T284-K286 VanDerWaalsContact C-N 3.28Å; T284-F287 WeakPolarHBondContact CA-O 3.36Å
285	E	97.8	Very high	98.2	Very high	131 Å²	131	36.5 Å²	36.5	61%	0.612	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-26.1	172.7	74.8	-174	-175.5	0	0	112.3	K283 N330	K283-E285 HydrophobicContact CB-CG 4.4Å; K283-E285 PolarHBondContact O-N 2.89Å; E285-N330 PolarHBondContact O-ND2 2.78Å
286	K	97.8	Very high	98.2	Very high	49 Å²	49	38 Å²	38	21%	0.213	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-35.1	-176.9	-71.5	-174.8	178.4	-177.8	0	112.6	D229 K283 T284 N330 M333	D229-K286 HydrophobicContact CB-CD 4Å; D229-K286 VanDerWaalsContact CG-CD 3.48Å; D229-K286 WeakPolarHBondContact OD1-CD 3.4Å; D229-K286 WeakPolarHBondContact OD1-CE 3.46Å; D229-K286 IonicContact OD1-NZ 3.86Å; D229-K286 PolarHBondContact OD1-NZ 2.91Å; D229-K286 IonicContact OD2-NZ 2.83Å; D229-K286 PolarHBondContact OD2-NZ 2.98Å; K283-K286 HydrophobicContact CB-CB 4.4Å; K283-K286 PolarHBondContact O-N 3.33Å; T284-K286 VanDerWaalsContact C-N 3.28Å; K286-N330 WeakPolarHBondContact O-CB 3.32Å; K286-N330 PolarHBondContact O-N 3.22Å; K286-M333 HydrophobicContact CB-CE 4.09Å; K286-M333 HydrophobicContact CB-SD 3.53Å; K286-M333 VanDerWaalsContact CB-SD 3.53Å; K286-M333 HydrophobicContact CD-CE 3.87Å; K286-M333 HydrophobicContact CD-SD 4.33Å; K286-M333 HydrophobicContact CG-CE 4.07Å; K286-M333 HydrophobicContact CG-CG 4.4Å; K286-M333 HydrophobicContact CG-SD 3.85Å; K286-M333 VanDerWaalsContact O-SD 3.36Å
287	F	98.4	Very high	98.2	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.4	-173	-55.9	-75	0	0	0	112.2	F184 D229 I230 F282 K283 T284 L327 E328 V329 M333 L346	F184-F287 HydrophobicContact CB-CZ 4.01Å; F184-F287 HydrophobicContact CD1-CZ 4.41Å; F184-F287 HydrophobicContact CD2-CZ 4.14Å; F184-F287 AromaticContact CG-CZ 3.94Å; F184-F287 HydrophobicContact CG-CZ 3.94Å; D229-F287 HydrophobicContact CB-CE2 4.01Å; I230-F287 HydrophobicContact CD1-CD2 4.48Å; I230-F287 HydrophobicContact CD1-CE1 4.24Å; I230-F287 HydrophobicContact CD1-CE2 3.86Å; I230-F287 HydrophobicContact CD1-CZ 3.74Å; I230-F287 HydrophobicContact CG1-CD2 4.13Å; I230-F287 HydrophobicContact CG1-CE2 3.6Å; I230-F287 HydrophobicContact CG1-CZ 4.01Å; F282-F287 HydrophobicContact CB-CB 4.29Å; F282-F287 HydrophobicContact CB-CD2 4.15Å; F282-F287 HydrophobicContact CD2-CB 4.08Å; F282-F287 HydrophobicContact CG-CB 4.49Å; K283-F287 PolarHBondContact O-N 3.24Å; T284-F287 WeakPolarHBondContact CA-O 3.36Å; F287-L327 HydrophobicContact CB-CB 4.25Å; F287-L327 HydrophobicContact CB-CD1 4.03Å; F287-L327 HydrophobicContact CB-CG 4.49Å; F287-L327 HydrophobicContact CD1-CB 4.26Å; F287-L327 HydrophobicContact CD1-CD1 4.21Å; F287-L327 HydrophobicContact CG-CD1 4.04Å; F287-E328 WeakPolarHBondContact CA-O 3.39Å; F287-V329 HydrophobicContact CD1-CG2 4.26Å; F287-V329 HydrophobicContact CE1-CG1 4.24Å; F287-V329 HydrophobicContact CE1-CG2 4.07Å; F287-M333 HydrophobicContact CE1-SD 4.37Å; F287-M333 HydrophobicContact CZ-CE 4.08Å; F287-M333 HydrophobicContact CZ-SD 4.36Å; F287-L346 HydrophobicContact CE1-CD2 4.11Å
288	T	98.2	Very high	98.1	Very high	81 Å²	81	39.5 Å²	39.5	50%	0.497	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.8	170.6	-59.7	0	0	0	0	109.7	V290 L327 E328	T288-V290 PolarHBondContact O-N 3.15Å; T288-L327 CarbonylContact O-C 3.46Å; T288-L327 WeakPolarHBondContact O-CA 3.44Å; T288-E328 PolarHBondContact N-O 3Å; T288-E328 PolarHBondContact O-N 3.37Å
289	L	98.3	Very high	97.9	Very high	59 Å²	59	43.9 Å²	43.9	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.6	178	-176.6	65	0	0	0	111.2	F282 Q291 V325 L327	F282-L289 HydrophobicContact CE1-CD1 4.28Å; F282-L289 HydrophobicContact CE2-CB 4.1Å; F282-L289 HydrophobicContact CZ-CB 3.69Å; F282-L289 HydrophobicContact CZ-CD1 4.24Å; F282-L289 HydrophobicContact CZ-CD2 4.26Å; F282-L289 HydrophobicContact CZ-CG 4.28Å; L289-Q291 WeakPolarHBondContact CD1-O 3.34Å; L289-V325 HydrophobicContact CD1-CB 3.69Å; L289-V325 HydrophobicContact CD1-CG1 3.86Å; L289-L327 HydrophobicContact CB-CD2 4.45Å; L289-L327 HydrophobicContact CD1-CD2 3.91Å
290	V	97.1	Very high	97.7	Very high	60 Å²	60	44.7 Å²	44.7	36%	0.364	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-48.4	176.2	-171.7	0	0	0	0	110.8	T288 L326 E328 L345	T288-V290 PolarHBondContact O-N 3.15Å; V290-L326 WeakPolarHBondContact CA-O 3.43Å; V290-L326 HydrophobicContact CB-CB 4.4Å; V290-L326 HydrophobicContact CB-CD2 4.18Å; V290-L326 HydrophobicContact CB-CG 4.29Å; V290-L326 WeakPolarHBondContact CB-O 3.07Å; V290-L326 HydrophobicContact CG1-CD2 4.15Å; V290-L326 PolarHBondContact N-O 3.47Å; V290-E328 HydrophobicContact CG2-CB 3.89Å; V290-L345 HydrophobicContact CG2-CD2 4.09Å
291	Q	97.2	Very high	97.6	Very high	61 Å²	61	44.7 Å²	44.7	29%	0.285	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.6	-179.6	-57.3	-179	4.4	0	0	111.3	L289 H293 V325 L326	L289-Q291 WeakPolarHBondContact CD1-O 3.34Å; Q291-H293 PolarHBondContact OE1-NE2 3.29Å; Q291-V325 WeakPolarHBondContact O-CA 3.36Å; Q291-L326 HydrophobicContact CB-CB 4.01Å; Q291-L326 HydrophobicContact CG-CD2 4.19Å; Q291-L326 PolarHBondContact N-O 3.25Å; Q291-L326 PolarHBondContact O-N 2.89Å
292	K	97.9	Very high	97.3	Very high	128 Å²	128	50 Å²	50	56%	0.557	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.3	174.3	63	-170.4	-178.6	178.7	0	109.6	Y257 A324 V325	Y257-K292 HydrophobicContact CD1-CB 4.12Å; Y257-K292 HydrophobicContact CD2-CB 3.94Å; Y257-K292 HydrophobicContact CD2-CD 3.69Å; Y257-K292 HydrophobicContact CD2-CG 4.27Å; Y257-K292 HydrophobicContact CE1-CB 4.13Å; Y257-K292 HydrophobicContact CE2-CB 3.95Å; Y257-K292 HydrophobicContact CE2-CD 3.66Å; Y257-K292 HydrophobicContact CE2-CG 4.01Å; Y257-K292 HydrophobicContact CG-CB 4.02Å; K292-A324 WeakPolarHBondContact CA-O 3.39Å; K292-V325 HydrophobicContact CB-CG1 4.42Å
293	H	98.3	Very high	97	Very high	43 Å²	43	53.8 Å²	53.8	20%	0.199	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.2	-175.2	-63	-80.4	0	0	0	110.3	Y257 Q291 V323 A324 I377	Y257-H293 WeakPolarHBondContact CE1-O 3.47Å; Q291-H293 PolarHBondContact OE1-NE2 3.29Å; H293-V323 WeakPolarHBondContact O-CA 3.37Å; H293-A324 HydrophobicContact CB-CB 4.46Å; H293-A324 PolarHBondContact N-O 3.47Å; H293-A324 PolarHBondContact O-N 3.02Å; H293-I377 HydrophobicContact CB-CD1 3.58Å; H293-I377 HydrophobicContact CB-CG1 4.41Å
294	T	98.1	Very high	96.7	Very high	45 Å²	45	54.7 Å²	54.7	28%	0.276	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	168.9	-65.1	0	0	0	0	108.5	Y257 C259 E296	Y257-T294 PolarHBondContact OH-OG1 2.78Å; C259-T294 HydrophobicContact CB-CG2 4.2Å; C259-T294 WeakPolarHBondContact CB-OG1 3.25Å; C259-T294 VanDerWaalsContact SG-CG2 3.54Å; C259-T294 PolarHBondContact SG-OG1 2.78Å; C259-T294 VanDerWaalsContact SG-OG1 3.32Å; T294-E296 HydrophobicContact CG2-CG 4.05Å
295	V	98	Very high	96.3	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	110.3	173.4	-177	0	0	0	0	108.1	F297 V300 I321 G322 F370 E373	V295-F297 HydrophobicContact CB-CE1 4.29Å; V295-F297 HydrophobicContact CG1-CD1 3.81Å; V295-F297 HydrophobicContact CG1-CE1 3.71Å; V295-V300 HydrophobicContact CG1-CG2 4.09Å; V295-I321 WeakPolarHBondContact O-CA 3.35Å; V295-G322 PolarHBondContact N-O 2.89Å; V295-G322 PolarHBondContact O-N 3.2Å; V295-F370 HydrophobicContact CB-CD2 3.98Å; V295-F370 HydrophobicContact CB-CE2 4.2Å; V295-F370 HydrophobicContact CG1-CD2 4.25Å; V295-F370 HydrophobicContact CG2-CD2 3.92Å; V295-F370 HydrophobicContact CG2-CE2 3.97Å; V295-E373 HydrophobicContact CG1-CB 4.12Å; V295-E373 HydrophobicContact CG1-CG 3.89Å; V295-E373 HydrophobicContact CG2-CB 3.76Å; V295-E373 HydrophobicContact CG2-CG 4.29Å
296	E	97.5	Very high	95.8	Very high	34 Å²	34	54.3 Å²	54.3	16%	0.159	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.6	175.2	-66.5	-174.5	-133.6	0	0	109.4	S262 K265 T294 N298 Q299 V300 I321	S262-E296 WeakPolarHBondContact CB-OE2 3.39Å; S262-E296 VanDerWaalsContact OG-CD 3.29Å; S262-E296 WeakPolarHBondContact OG-CG 3.4Å; S262-E296 PolarHBondContact OG-OE2 3.27Å; K265-E296 IonicContact NZ-OE1 3.28Å; K265-E296 PolarHBondContact NZ-OE1 3.31Å; K265-E296 IonicContact NZ-OE2 3.84Å; K265-E296 PolarHBondContact NZ-OE2 3.3Å; T294-E296 HydrophobicContact CG2-CG 4.05Å; E296-N298 PolarHBondContact O-N 3.23Å; E296-Q299 HydrophobicContact CB-CB 4.27Å; E296-Q299 HydrophobicContact CB-CG 4.04Å; E296-Q299 PolarHBondContact O-N 3.38Å; E296-Q299 PolarHBondContact OE1-NE2 3.36Å; E296-Q299 PolarHBondContact OE2-NE2 3.2Å; E296-V300 PolarHBondContact O-N 3.24Å; E296-V300 VanDerWaalsContact O-N 3.12Å; E296-I321 HydrophobicContact CG-CG2 4.25Å
297	F	97.6	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-30.9	-170.6	-60.8	-39.6	0	0	0	113.3	V295 V300 A301 N320 I321 A351 M353 Q366 M369 F370	V295-F297 HydrophobicContact CB-CE1 4.29Å; V295-F297 HydrophobicContact CG1-CD1 3.81Å; V295-F297 HydrophobicContact CG1-CE1 3.71Å; F297-V300 PolarHBondContact O-N 3.09Å; F297-A301 WeakPolarHBondContact O-CB 3.48Å; F297-A301 PolarHBondContact O-N 2.82Å; F297-N320 VanDerWaalsContact CD2-C 3.48Å; F297-N320 HydrophobicContact CD2-CB 3.71Å; F297-N320 VanDerWaalsContact CD2-O 3.28Å; F297-N320 WeakPolarHBondContact CD2-O 3.44Å; F297-N320 HydrophobicContact CE2-CB 4.2Å; F297-N320 PolarHBondContact N-O 3.19Å; F297-I321 VanDerWaalsContact CE2-C 3.45Å; F297-A351 HydrophobicContact CZ-CB 4.32Å; F297-M353 HydrophobicContact CE2-CE 4.42Å; F297-M353 HydrophobicContact CE2-SD 3.67Å; F297-M353 HydrophobicContact CZ-CE 4.14Å; F297-M353 HydrophobicContact CZ-SD 3.98Å; F297-Q366 HydrophobicContact CB-CG 4.07Å; F297-Q366 HydrophobicContact CD2-CB 4.05Å; F297-Q366 HydrophobicContact CD2-CG 3.83Å; F297-Q366 HydrophobicContact CE2-CB 4.29Å; F297-Q366 HydrophobicContact CG-CB 4.29Å; F297-Q366 HydrophobicContact CG-CG 4.01Å; F297-M369 HydrophobicContact CB-CE 3.8Å; F297-M369 HydrophobicContact CD1-CB 4.4Å; F297-M369 HydrophobicContact CD1-CE 4.46Å; F297-M369 HydrophobicContact CG-CE 4.36Å; F297-F370 HydrophobicContact CE1-CB 3.69Å; F297-F370 AromaticContact CE1-CD2 3.97Å; F297-F370 HydrophobicContact CE1-CD2 3.97Å; F297-F370 HydrophobicContact CE1-CG 4.03Å; F297-F370 HydrophobicContact CZ-CB 4.02Å; F297-F370 HydrophobicContact CZ-CD2 4.22Å; F297-F370 HydrophobicContact CZ-CG 4.1Å
298	N	95.6	Very high	94.6	Very high	34 Å²	34	55.9 Å²	55.9	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-39.7	174.1	55.6	3.7	0	0	0	113.1	E296 M302 M316 K318	E296-N298 PolarHBondContact O-N 3.23Å; N298-M302 VanDerWaalsContact O-CB 3.28Å; N298-M302 WeakPolarHBondContact O-CB 3.49Å; N298-M302 PolarHBondContact O-N 2.8Å; N298-M316 WeakPolarHBondContact CB-O 3.48Å; N298-K318 WeakPolarHBondContact CB-O 3.47Å
299	Q	95.4	Very high	94.2	Very high	93 Å²	93	59.2 Å²	59.2	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-70.4	-41.8	178.2	-64	-173.4	27.8	0	0	110.8	E296 M302 A303	E296-Q299 HydrophobicContact CB-CB 4.27Å; E296-Q299 HydrophobicContact CB-CG 4.04Å; E296-Q299 PolarHBondContact O-N 3.38Å; E296-Q299 PolarHBondContact OE1-NE2 3.36Å; E296-Q299 PolarHBondContact OE2-NE2 3.2Å; Q299-M302 PolarHBondContact O-N 2.75Å; Q299-A303 WeakPolarHBondContact O-CB 3.27Å; Q299-A303 PolarHBondContact O-N 3.27Å
300	V	95.8	Very high	93.9	Very high	17 Å²	17	58 Å²	58	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-43.5	175.2	-176.3	0	0	0	0	110.4	V295 E296 F297 M302 A303 N304 M369 E373 F441	V295-V300 HydrophobicContact CG1-CG2 4.09Å; E296-V300 PolarHBondContact O-N 3.24Å; E296-V300 VanDerWaalsContact O-N 3.12Å; F297-V300 PolarHBondContact O-N 3.09Å; V300-M302 PolarHBondContact O-N 2.78Å; V300-A303 PolarHBondContact O-N 2.95Å; V300-N304 WeakPolarHBondContact O-CB 3.44Å; V300-N304 PolarHBondContact O-N 3.38Å; V300-N304 VanDerWaalsContact O-N 3.13Å; V300-N304 PolarHBondContact O-ND2 3.18Å; V300-M369 HydrophobicContact CB-CB 4.49Å; V300-M369 HydrophobicContact CB-CG 4.39Å; V300-M369 HydrophobicContact CB-SD 3.76Å; V300-M369 HydrophobicContact CG1-CB 3.92Å; V300-M369 HydrophobicContact CG1-CG 3.71Å; V300-M369 HydrophobicContact CG1-SD 3.62Å; V300-E373 HydrophobicContact CG2-CG 4.21Å; V300-F441 HydrophobicContact CG1-CE1 4.07Å
301	A	95.2	Very high	93.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-44.5	175.8	0	0	0	0	0	111.7	F297 A303 N304 S305 M311 V315 M316 M369	F297-A301 WeakPolarHBondContact O-CB 3.48Å; F297-A301 PolarHBondContact O-N 2.82Å; A301-A303 PolarHBondContact O-N 3.21Å; A301-N304 CarbonylContact O-C 3.51Å; A301-N304 PolarHBondContact O-N 3.2Å; A301-S305 VanDerWaalsContact O-CB 3.27Å; A301-S305 WeakPolarHBondContact O-CB 3.38Å; A301-S305 PolarHBondContact O-N 3.28Å; A301-M311 HydrophobicContact CB-CG 4.24Å; A301-M311 HydrophobicContact CB-SD 4.08Å; A301-V315 HydrophobicContact CB-CB 4.19Å; A301-V315 HydrophobicContact CB-CG1 3.73Å; A301-M316 HydrophobicContact CB-CB 4.16Å; A301-M369 HydrophobicContact CB-CE 4.27Å; A301-M369 HydrophobicContact CB-SD 3.95Å; A301-M369 PolarHBondContact N-SD 3.01Å
302	M	93.3	Very high	93.5	Very high	112 Å²	112	55.2 Å²	55.2	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-62.4	-40.2	177.1	-175.6	176.1	67.1	0	0	112.4	N298 Q299 V300 N304 S305 M316	N298-M302 VanDerWaalsContact O-CB 3.28Å; N298-M302 WeakPolarHBondContact O-CB 3.49Å; N298-M302 PolarHBondContact O-N 2.8Å; Q299-M302 PolarHBondContact O-N 2.75Å; V300-M302 PolarHBondContact O-N 2.78Å; M302-N304 PolarHBondContact O-N 2.88Å; M302-S305 PolarHBondContact O-OG 2.86Å; M302-S305 VanDerWaalsContact O-OG 3.08Å; M302-M316 HydrophobicContact CB-CG 3.97Å
303	A	93.4	Very high	93.3	Very high	81 Å²	81	54.2 Å²	54.2	67%	0.669	31%	0.306	S	S	*	.	H	α-helix	trans	-69	-22.7	177.4	0	0	0	0	0	113	Q299 V300 A301	Q299-A303 WeakPolarHBondContact O-CB 3.27Å; Q299-A303 PolarHBondContact O-N 3.27Å; V300-A303 PolarHBondContact O-N 2.95Å; A301-A303 PolarHBondContact O-N 3.21Å
304	N	91.2	Very high	93.1	Very high	37 Å²	37	54.6 Å²	54.6	20%	0.198	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	19.2	-175.5	-67.8	-83.2	0	0	0	112.9	V300 A301 M302 C437 N440 F441	V300-N304 WeakPolarHBondContact O-CB 3.44Å; V300-N304 PolarHBondContact O-N 3.38Å; V300-N304 VanDerWaalsContact O-N 3.13Å; V300-N304 PolarHBondContact O-ND2 3.18Å; A301-N304 CarbonylContact O-C 3.51Å; A301-N304 PolarHBondContact O-N 3.2Å; M302-N304 PolarHBondContact O-N 2.88Å; N304-C437 WeakPolarHBondContact O-CB 3.47Å; N304-N440 WeakPolarHBondContact OD1-CB 3.37Å; N304-F441 HydrophobicContact CB-CE1 3.76Å; N304-F441 HydrophobicContact CB-CZ 3.51Å
305	S	90.2	Very high	93	Very high	16 Å²	16	52.5 Å²	52.5	11%	0.112	29%	0.293	C	S	.	.			trans	-93.3	6.7	-176.5	64.7	0	0	0	0	114.8	A301 M302 G307 S308 L312	A301-S305 VanDerWaalsContact O-CB 3.27Å; A301-S305 WeakPolarHBondContact O-CB 3.38Å; A301-S305 PolarHBondContact O-N 3.28Å; M302-S305 PolarHBondContact O-OG 2.86Å; M302-S305 VanDerWaalsContact O-OG 3.08Å; S305-G307 PolarHBondContact O-N 3.49Å; S305-S308 PolarHBondContact O-N 3.38Å; S305-L312 VanDerWaalsContact OG-CD2 3.25Å; S305-L312 WeakPolarHBondContact OG-CD2 3.43Å
306	E	87.4	Confident	92.9	Very high	182 Å²	182	55.2 Å²	55.2	85%	0.85	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	123.9	-179.2	-170	174.6	-170.7	0	0	110.4	S308	E306-S308 VanDerWaalsContact C-N 3.27Å; E306-S308 PolarHBondContact O-N 3.43Å
307	G	82.6	Confident	92.7	Very high	78 Å²	78	57.6 Å²	57.6	80%	0.804	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-1.2	-178.2	0	0	0	0	0	116.3	S305	S305-G307 PolarHBondContact O-N 3.49Å
308	S	88.2	Confident	92.7	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.042	33%	0.328	C	S	.	.			trans	-122.4	96	-178.1	-169.1	0	0	0	0	113.3	S305 E306 V310 M311 L312	S305-S308 PolarHBondContact O-N 3.38Å; E306-S308 VanDerWaalsContact C-N 3.27Å; E306-S308 PolarHBondContact O-N 3.43Å; S308-V310 PolarHBondContact O-N 3.28Å; S308-M311 WeakPolarHBondContact O-CB 3.46Å; S308-M311 PolarHBondContact O-N 2.91Å; S308-M311 PolarHBondContact OG-N 3.32Å; S308-L312 PolarHBondContact O-N 2.92Å
309	E	90.1	Very high	92.7	Very high	152 Å²	152	59.2 Å²	59.2	71%	0.71	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-31.6	170.2	-66.4	-174.8	175.5	0	0	112	L312 N313	E309-L312 PolarHBondContact O-N 2.96Å; E309-N313 WeakPolarHBondContact O-CB 3.34Å; E309-N313 PolarHBondContact O-N 2.94Å; E309-N313 PolarHBondContact O-ND2 3.38Å; E309-N313 VanDerWaalsContact O-ND2 3.15Å
310	V	92.2	Very high	92.8	Very high	32 Å²	32	55.2 Å²	55.2	19%	0.194	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-41.3	-179.9	-164.7	0	0	0	0	110.6	S308 L312 N313 R314 L432 Y434	S308-V310 PolarHBondContact O-N 3.28Å; V310-L312 PolarHBondContact O-N 3.12Å; V310-N313 PolarHBondContact O-N 3.33Å; V310-R314 HydrophobicContact CG1-CG 4.24Å; V310-R314 WeakPolarHBondContact O-CB 3.12Å; V310-R314 PolarHBondContact O-N 2.94Å; V310-L432 HydrophobicContact CG1-CB 4.12Å; V310-L432 HydrophobicContact CG1-CD1 3.92Å; V310-L432 HydrophobicContact CG1-CD2 4.34Å; V310-L432 HydrophobicContact CG1-CG 4.34Å; V310-Y434 HydrophobicContact CB-CD1 4.15Å; V310-Y434 HydrophobicContact CB-CE1 3.66Å; V310-Y434 HydrophobicContact CG1-CD1 4.3Å; V310-Y434 HydrophobicContact CG1-CE1 3.48Å; V310-Y434 VanDerWaalsContact CG1-CE1 3.48Å; V310-Y434 HydrophobicContact CG1-CE2 3.88Å; V310-Y434 WeakPolarHBondContact CG1-OH 3.43Å
311	M	93	Very high	92.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.307	C	S	.	.	I	π-helix	trans	-58.4	-46.1	173.7	-170.7	68.5	71.9	0	0	111.4	A301 S308 V315 M316 I365 Y434 C437 L438 F441	A301-M311 HydrophobicContact CB-CG 4.24Å; A301-M311 HydrophobicContact CB-SD 4.08Å; S308-M311 WeakPolarHBondContact O-CB 3.46Å; S308-M311 PolarHBondContact O-N 2.91Å; S308-M311 PolarHBondContact OG-N 3.32Å; M311-V315 WeakPolarHBondContact O-CA 3.43Å; M311-V315 WeakPolarHBondContact O-CB 3.35Å; M311-V315 PolarHBondContact O-N 2.75Å; M311-V315 VanDerWaalsContact O-N 3.1Å; M311-V315 HydrophobicContact SD-CB 3.69Å; M311-V315 HydrophobicContact SD-CG1 3.93Å; M311-V315 HydrophobicContact SD-CG2 3.66Å; M311-M316 PolarHBondContact O-N 2.82Å; M311-I365 HydrophobicContact CE-CD1 4.3Å; M311-I365 HydrophobicContact CE-CG2 3.9Å; M311-I365 HydrophobicContact SD-CG2 3.89Å; M311-Y434 HydrophobicContact CE-CD1 4.19Å; M311-C437 WeakPolarHBondContact CE-SG 3.22Å; M311-L438 HydrophobicContact CE-CD2 4.45Å; M311-F441 HydrophobicContact CE-CE2 3.94Å; M311-F441 HydrophobicContact CE-CZ 4.39Å
312	L	92.4	Very high	93.1	Very high	63 Å²	63	54.5 Å²	54.5	33%	0.33	31%	0.307	S	S	.	.	I	π-helix	trans	-64.5	-44.5	178.1	-71.9	173.2	0	0	0	112.5	S305 S308 E309 V310 M316	S305-L312 VanDerWaalsContact OG-CD2 3.25Å; S305-L312 WeakPolarHBondContact OG-CD2 3.43Å; S308-L312 PolarHBondContact O-N 2.92Å; E309-L312 PolarHBondContact O-N 2.96Å; V310-L312 PolarHBondContact O-N 3.12Å; L312-M316 HydrophobicContact CD2-CE 4.05Å
313	N	93.4	Very high	93.4	Very high	107 Å²	107	49.1 Å²	49.1	57%	0.572	28%	0.281	S	S	*	.	I	π-helix	trans	-79.2	-40.2	-172.1	-68.1	-27.5	0	0	0	112.4	E309 V310 T317	E309-N313 WeakPolarHBondContact O-CB 3.34Å; E309-N313 PolarHBondContact O-N 2.94Å; E309-N313 PolarHBondContact O-ND2 3.38Å; E309-N313 VanDerWaalsContact O-ND2 3.15Å; V310-N313 PolarHBondContact O-N 3.33Å; N313-T317 VanDerWaalsContact O-CG2 3.31Å; N313-T317 WeakPolarHBondContact O-CG2 3.42Å; N313-T317 PolarHBondContact O-OG1 3.49Å
314	R	94.9	Very high	93.6	Very high	52 Å²	52	45.3 Å²	45.3	20%	0.196	25%	0.249	C	C	.	.	I	π-helix	trans	-100	-40.9	-171.6	-65	-179.8	59	79.2	-1.3	113.5	V310 T317 K318 E358 Y359 D361 V362	V310-R314 HydrophobicContact CG1-CG 4.24Å; V310-R314 WeakPolarHBondContact O-CB 3.12Å; V310-R314 PolarHBondContact O-N 2.94Å; R314-T317 PolarHBondContact O-OG1 3.04Å; R314-K318 PolarHBondContact O-NZ 2.77Å; R314-E358 PolarHBondContact NH2-O 2.94Å; R314-Y359 HydrophobicContact CB-CE1 4.5Å; R314-Y359 HydrophobicContact CG-CE1 4.48Å; R314-Y359 VanDerWaalsContact CZ-CE1 3.46Å; R314-Y359 VanDerWaalsContact NH1-CE1 3.26Å; R314-D361 IonicContact CZ-OD1 2.88Å; R314-D361 IonicContact CZ-OD2 2.82Å; R314-D361 IonicContact NE-OD1 3.69Å; R314-D361 IonicContact NE-OD2 3.54Å; R314-D361 PolarHBondContact NE-OD2 3.42Å; R314-D361 IonicContact NH2-OD1 3.88Å; R314-D361 PolarHBondContact NH2-OD1 3.07Å; R314-D361 IonicContact NH2-OD2 3.62Å; R314-D361 PolarHBondContact NH2-OD2 2.89Å; R314-V362 HydrophobicContact CB-CG2 4.1Å; R314-V362 WeakPolarHBondContact O-CG2 3.37Å
315	V	95.4	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-93.6	-52.5	-173.1	-171.4	0	0	0	0	111.5	A301 M311 T317 K318 V362 I365 M369 Y434	A301-V315 HydrophobicContact CB-CB 4.19Å; A301-V315 HydrophobicContact CB-CG1 3.73Å; M311-V315 WeakPolarHBondContact O-CA 3.43Å; M311-V315 WeakPolarHBondContact O-CB 3.35Å; M311-V315 PolarHBondContact O-N 2.75Å; M311-V315 VanDerWaalsContact O-N 3.1Å; M311-V315 HydrophobicContact SD-CB 3.69Å; M311-V315 HydrophobicContact SD-CG1 3.93Å; M311-V315 HydrophobicContact SD-CG2 3.66Å; V315-T317 PolarHBondContact O-N 3.08Å; V315-K318 PolarHBondContact O-N 2.94Å; V315-V362 HydrophobicContact CG1-CG1 4.5Å; V315-V362 HydrophobicContact CG2-CG2 4.1Å; V315-I365 HydrophobicContact CG1-CG2 4.09Å; V315-I365 HydrophobicContact CG2-CB 4.45Å; V315-I365 HydrophobicContact CG2-CD1 3.8Å; V315-I365 HydrophobicContact CG2-CG2 4.31Å; V315-M369 HydrophobicContact CG1-CE 3.68Å; V315-Y434 HydrophobicContact CG2-CE1 4.22Å
316	M	95.1	Very high	94.3	Very high	64 Å²	64	42.9 Å²	42.9	32%	0.315	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29	-176.7	-177.2	-84.3	-83.2	0	0	112.8	N298 A301 M302 M311 L312 K318	N298-M316 WeakPolarHBondContact CB-O 3.48Å; A301-M316 HydrophobicContact CB-CB 4.16Å; M302-M316 HydrophobicContact CB-CG 3.97Å; M311-M316 PolarHBondContact O-N 2.82Å; L312-M316 HydrophobicContact CD2-CE 4.05Å; M316-K318 PolarHBondContact O-N 2.89Å; M316-K318 VanDerWaalsContact O-N 3.16Å
317	T	94.8	Very high	94.8	Very high	83 Å²	83	34.2 Å²	34.2	51%	0.509	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.7	178	57.3	0	0	0	0	114.6	N313 R314 V315	N313-T317 VanDerWaalsContact O-CG2 3.31Å; N313-T317 WeakPolarHBondContact O-CG2 3.42Å; N313-T317 PolarHBondContact O-OG1 3.49Å; R314-T317 PolarHBondContact O-OG1 3.04Å; V315-T317 PolarHBondContact O-N 3.08Å
318	K	96.7	Very high	95.5	Very high	28 Å²	28	32.2 Å²	32.2	12%	0.122	16%	0.164	C	C	.	.			trans	-100.3	130.7	-179.8	-55.1	-53.7	-178.2	-68.5	0	111.3	N298 R314 V315 M316 N320 H354 V362	N298-K318 WeakPolarHBondContact CB-O 3.47Å; R314-K318 PolarHBondContact O-NZ 2.77Å; V315-K318 PolarHBondContact O-N 2.94Å; M316-K318 PolarHBondContact O-N 2.89Å; M316-K318 VanDerWaalsContact O-N 3.16Å; K318-N320 VanDerWaalsContact C-N 3.33Å; K318-N320 PolarHBondContact O-N 3.43Å; K318-H354 VanDerWaalsContact CE-CE1 3.47Å; K318-H354 WeakPolarHBondContact CE-CE1 3.4Å; K318-H354 WeakPolarHBondContact CE-NE2 3.3Å; K318-V362 HydrophobicContact CG-CG1 4.03Å
319	D	95.4	Very high	95.8	Very high	40 Å²	40	32 Å²	32	21%	0.214	16%	0.163	C	C	.	.			trans	-92.7	14.1	-173.8	67.9	-23.4	0	0	0	114	K261 S262 R263	K261-D319 WeakPolarHBondContact CB-O 3.31Å; S262-D319 PolarHBondContact N-O 2.65Å; R263-D319 HydrophobicContact CB-CB 4.4Å; R263-D319 WeakPolarHBondContact CB-OD2 3.32Å; R263-D319 WeakPolarHBondContact CD-OD2 3.44Å; R263-D319 WeakPolarHBondContact CG-OD2 3.37Å; R263-D319 IonicContact CZ-OD2 2.65Å; R263-D319 IonicContact NE-OD2 3.73Å; R263-D319 IonicContact NH1-OD1 2.89Å; R263-D319 IonicContact NH1-OD2 2.73Å; R263-D319 PolarHBondContact NH1-OD2 2.95Å
320	N	98.3	Very high	95.9	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.048	14%	0.144	C	C	.	.			trans	-61.7	152.3	176.7	-64.4	95.8	0	0	0	111.7	F297 K318 H352 M353 H354 Q366	F297-N320 VanDerWaalsContact CD2-C 3.48Å; F297-N320 HydrophobicContact CD2-CB 3.71Å; F297-N320 VanDerWaalsContact CD2-O 3.28Å; F297-N320 WeakPolarHBondContact CD2-O 3.44Å; F297-N320 HydrophobicContact CE2-CB 4.2Å; F297-N320 PolarHBondContact N-O 3.19Å; K318-N320 VanDerWaalsContact C-N 3.33Å; K318-N320 PolarHBondContact O-N 3.43Å; N320-H352 WeakPolarHBondContact CB-O 3.36Å; N320-H352 PolarHBondContact ND2-O 3.41Å; N320-M353 PolarHBondContact ND2-O 3.18Å; N320-H354 PolarHBondContact ND2-N 3.13Å; N320-H354 WeakPolarHBondContact OD1-CA 3.43Å; N320-H354 WeakPolarHBondContact OD1-CB 3.21Å; N320-Q366 PolarHBondContact OD1-NE2 2.85Å
321	I	98.4	Very high	95.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163	-177.5	62.9	154.2	0	0	0	111.6	C259 K261 V295 E296 F297 V323 H352	C259-I321 HydrophobicContact CB-CD1 4.02Å; C259-I321 WeakPolarHBondContact O-CD1 3.36Å; K261-I321 HydrophobicContact CG-CG1 4.19Å; V295-I321 WeakPolarHBondContact O-CA 3.35Å; E296-I321 HydrophobicContact CG-CG2 4.25Å; F297-I321 VanDerWaalsContact CE2-C 3.45Å; I321-V323 HydrophobicContact CD1-CG1 4.37Å; I321-H352 PolarHBondContact O-N 2.88Å
322	G	98.5	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.3	159.1	0	0	0	0	0	111.1	V295 N350	V295-G322 PolarHBondContact N-O 2.89Å; V295-G322 PolarHBondContact O-N 3.2Å; G322-N350 CarbonylContact C-O 3.49Å; G322-N350 VanDerWaalsContact CA-O 3.3Å; G322-N350 WeakPolarHBondContact CA-O 3.19Å
323	V	98.8	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.3	171.2	-64.7	0	0	0	0	109.5	Y257 C259 C278 I280 H293 I321 A349 N350	Y257-V323 HydrophobicContact CD1-CB 4.04Å; Y257-V323 HydrophobicContact CD1-CG1 4.4Å; Y257-V323 HydrophobicContact CE1-CB 3.77Å; Y257-V323 HydrophobicContact CE1-CG1 3.85Å; C259-V323 HydrophobicContact CB-CG1 3.51Å; C278-V323 HydrophobicContact CB-CG1 4.36Å; C278-V323 HydrophobicContact CB-CG2 3.72Å; I280-V323 HydrophobicContact CD1-CG2 3.9Å; I280-V323 HydrophobicContact CG1-CG2 3.97Å; H293-V323 WeakPolarHBondContact O-CA 3.37Å; I321-V323 HydrophobicContact CD1-CG1 4.37Å; V323-A349 WeakPolarHBondContact O-CA 3.44Å; V323-N350 HydrophobicContact CG2-CB 3.89Å; V323-N350 PolarHBondContact N-O 3.08Å; V323-N350 PolarHBondContact O-N 2.96Å
324	A	98.8	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.4	175.1	0	0	0	0	0	111	K292 H293 L347 V348 A349 L374 I377	K292-A324 WeakPolarHBondContact CA-O 3.39Å; H293-A324 HydrophobicContact CB-CB 4.46Å; H293-A324 PolarHBondContact N-O 3.47Å; H293-A324 PolarHBondContact O-N 3.02Å; A324-L347 HydrophobicContact CB-CD1 4.2Å; A324-V348 CarbonylContact C-O 3.51Å; A324-V348 VanDerWaalsContact CA-O 3.23Å; A324-V348 WeakPolarHBondContact CA-O 3.43Å; A324-A349 HydrophobicContact CB-CB 4.48Å; A324-L374 HydrophobicContact CB-CD2 3.55Å; A324-I377 HydrophobicContact CB-CD1 4.42Å
325	V	98.8	Very high	93.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.1	172.6	-64.5	0	0	0	0	109.6	Y257 I280 L289 Q291 K292 L327 V348	Y257-V325 HydrophobicContact CD1-CG1 3.84Å; Y257-V325 HydrophobicContact CG-CG1 4.08Å; I280-V325 HydrophobicContact CB-CG2 4.31Å; I280-V325 HydrophobicContact CD1-CG2 4.04Å; I280-V325 HydrophobicContact CG2-CG2 3.75Å; L289-V325 HydrophobicContact CD1-CB 3.69Å; L289-V325 HydrophobicContact CD1-CG1 3.86Å; Q291-V325 WeakPolarHBondContact O-CA 3.36Å; K292-V325 HydrophobicContact CB-CG1 4.42Å; V325-L327 HydrophobicContact CB-CD2 4.23Å; V325-L327 HydrophobicContact CG2-CD1 4.26Å; V325-L327 HydrophobicContact CG2-CD2 3.95Å; V325-L327 HydrophobicContact CG2-CG 3.98Å; V325-V348 HydrophobicContact CG2-CB 3.89Å; V325-V348 PolarHBondContact N-O 2.78Å; V325-V348 PolarHBondContact O-N 2.74Å
326	L	98.1	Very high	92	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.6	170.4	-173.3	70.8	0	0	0	107.6	V290 Q291 L345 L347 A381 I397	V290-L326 WeakPolarHBondContact CA-O 3.43Å; V290-L326 HydrophobicContact CB-CB 4.4Å; V290-L326 HydrophobicContact CB-CD2 4.18Å; V290-L326 HydrophobicContact CB-CG 4.29Å; V290-L326 WeakPolarHBondContact CB-O 3.07Å; V290-L326 HydrophobicContact CG1-CD2 4.15Å; V290-L326 PolarHBondContact N-O 3.47Å; Q291-L326 HydrophobicContact CB-CB 4.01Å; Q291-L326 HydrophobicContact CG-CD2 4.19Å; Q291-L326 PolarHBondContact N-O 3.25Å; Q291-L326 PolarHBondContact O-N 2.89Å; L326-L345 HydrophobicContact CD1-CB 4.19Å; L326-L345 HydrophobicContact CD1-CD1 4.36Å; L326-L345 HydrophobicContact CD2-CD1 4.17Å; L326-L345 HydrophobicContact CG-CD1 4.48Å; L326-L347 HydrophobicContact CD1-CB 4.4Å; L326-L347 HydrophobicContact CD1-CD1 4.41Å; L326-A381 HydrophobicContact CD1-CB 4.45Å; L326-A381 HydrophobicContact CD2-CB 3.56Å; L326-I397 HydrophobicContact CD1-CD1 4.39Å; L326-I397 HydrophobicContact CD1-CG2 4.19Å
327	L	97.9	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.6	-177	-58.2	-179.4	0	0	0	110.3	I230 F282 F287 T288 L289 V325 L345 L346 V348	I230-L327 HydrophobicContact CD1-CD1 4.29Å; F282-L327 HydrophobicContact CB-CD1 3.99Å; F282-L327 HydrophobicContact CD1-CD1 4.37Å; F282-L327 HydrophobicContact CD1-CD2 3.88Å; F282-L327 HydrophobicContact CD2-CD2 4.12Å; F282-L327 HydrophobicContact CE1-CD2 4.04Å; F282-L327 HydrophobicContact CE2-CD2 4.26Å; F282-L327 HydrophobicContact CG-CD1 4.12Å; F282-L327 HydrophobicContact CG-CD2 3.94Å; F282-L327 HydrophobicContact CZ-CD2 4.25Å; F287-L327 HydrophobicContact CB-CB 4.25Å; F287-L327 HydrophobicContact CB-CD1 4.03Å; F287-L327 HydrophobicContact CB-CG 4.49Å; F287-L327 HydrophobicContact CD1-CB 4.26Å; F287-L327 HydrophobicContact CD1-CD1 4.21Å; F287-L327 HydrophobicContact CG-CD1 4.04Å; T288-L327 CarbonylContact O-C 3.46Å; T288-L327 WeakPolarHBondContact O-CA 3.44Å; L289-L327 HydrophobicContact CB-CD2 4.45Å; L289-L327 HydrophobicContact CD1-CD2 3.91Å; V325-L327 HydrophobicContact CB-CD2 4.23Å; V325-L327 HydrophobicContact CG2-CD1 4.26Å; V325-L327 HydrophobicContact CG2-CD2 3.95Å; V325-L327 HydrophobicContact CG2-CG 3.98Å; L327-L345 CarbonylContact O-C 3.6Å; L327-L345 VanDerWaalsContact O-CA 3.31Å; L327-L345 WeakPolarHBondContact O-CA 3.43Å; L327-L346 PolarHBondContact N-O 2.95Å; L327-L346 PolarHBondContact O-N 3.31Å; L327-V348 HydrophobicContact CD1-CG2 3.75Å; L327-V348 HydrophobicContact CG-CG2 4.38Å
328	E	95.6	Very high	88.6	Confident	37 Å²	37	35.1 Å²	35.1	17%	0.173	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.1	163.2	177.8	171	-154.6	0	0	108.8	F287 T288 V290 R343 L345	F287-E328 WeakPolarHBondContact CA-O 3.39Å; T288-E328 PolarHBondContact N-O 3Å; T288-E328 PolarHBondContact O-N 3.37Å; V290-E328 HydrophobicContact CG2-CB 3.89Å; E328-R343 VanDerWaalsContact CD-NE 3.34Å; E328-R343 WeakPolarHBondContact OE1-CG 3.5Å; E328-R343 IonicContact OE1-CZ 3.4Å; E328-R343 IonicContact OE1-NE 3.35Å; E328-R343 PolarHBondContact OE1-NE 3.39Å; E328-R343 IonicContact OE1-NH2 3.66Å; E328-R343 IonicContact OE2-CZ 3.67Å; E328-R343 IonicContact OE2-NE 3.01Å; E328-R343 PolarHBondContact OE2-NE 3.45Å; E328-R343 IonicContact OE2-NH2 2.69Å; E328-R343 PolarHBondContact OE2-NH2 3.42Å; E328-L345 HydrophobicContact CB-CD2 4.26Å
329	V	95	Very high	87.1	Confident	2 Å²	2	39 Å²	39	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.9	178.6	-173.6	0	0	0	0	109	A182 F287 K331 M333 F334 Q344 L346 L532	A182-V329 HydrophobicContact CB-CG1 4.49Å; F287-V329 HydrophobicContact CD1-CG2 4.26Å; F287-V329 HydrophobicContact CE1-CG1 4.24Å; F287-V329 HydrophobicContact CE1-CG2 4.07Å; V329-K331 PolarHBondContact O-N 2.74Å; V329-M333 HydrophobicContact CG1-SD 3.8Å; V329-F334 HydrophobicContact CG1-CE2 4.02Å; V329-F334 HydrophobicContact CG1-CZ 4.5Å; V329-Q344 HydrophobicContact CB-CB 4.19Å; V329-Q344 HydrophobicContact CB-CG 4.04Å; V329-Q344 HydrophobicContact CG2-CG 3.96Å; V329-Q344 PolarHBondContact N-O 3.04Å; V329-L346 HydrophobicContact CG2-CB 3.87Å; V329-L532 HydrophobicContact CG2-CD2 4.16Å
330	N	92.6	Very high	85.6	Confident	60 Å²	60	38 Å²	38	32%	0.321	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-62.3	125.3	178.8	-174.4	-22	0	0	0	110.6	E285 K286 N332 M333	E285-N330 PolarHBondContact O-ND2 2.78Å; K286-N330 WeakPolarHBondContact O-CB 3.32Å; K286-N330 PolarHBondContact O-N 3.22Å; N330-N332 PolarHBondContact O-N 3.4Å; N330-N332 WeakPolarHBondContact OD1-CB 3.34Å; N330-N332 PolarHBondContact OD1-N 3.11Å; N330-M333 HydrophobicContact CB-CG 4.25Å; N330-M333 HydrophobicContact CB-SD 4.48Å; N330-M333 WeakPolarHBondContact O-CB 3.48Å; N330-M333 WeakPolarHBondContact O-CG 3.43Å; N330-M333 PolarHBondContact O-N 3.42Å
331	K	87.4	Confident	83.7	Confident	73 Å²	73	46.2 Å²	46.2	32%	0.317	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.3	-21.9	-179.3	-62.5	-168.9	178.4	-158.5	0	113.8	V329 M333 P340 Q341 E342	V329-K331 PolarHBondContact O-N 2.74Å; K331-M333 VanDerWaalsContact C-N 3.26Å; K331-M333 PolarHBondContact O-N 3.21Å; K331-P340 WeakPolarHBondContact CE-O 3.48Å; K331-P340 PolarHBondContact NZ-O 3.01Å; K331-Q341 PolarHBondContact NZ-O 3.06Å; K331-E342 PolarHBondContact NZ-O 3.22Å
332	N	87.6	Confident	82.4	Confident	115 Å²	115	53.2 Å²	53.2	62%	0.615	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-76.2	-11	177.6	-65.1	-24.1	0	0	0	113.6	N330 F334 K339	N330-N332 PolarHBondContact O-N 3.4Å; N330-N332 WeakPolarHBondContact OD1-CB 3.34Å; N330-N332 PolarHBondContact OD1-N 3.11Å; N332-F334 VanDerWaalsContact C-N 3.28Å; N332-K339 PolarHBondContact OD1-NZ 3.14Å
333	M	88.6	Confident	81.6	Confident	30 Å²	30	59.8 Å²	59.8	15%	0.148	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-73.8	-21.2	174.1	-65.1	-178.4	66.8	0	0	113.2	A182 F184 K286 F287 V329 N330 K331	A182-M333 HydrophobicContact CB-CB 3.89Å; F184-M333 HydrophobicContact CB-CE 3.87Å; K286-M333 HydrophobicContact CB-CE 4.09Å; K286-M333 HydrophobicContact CB-SD 3.53Å; K286-M333 VanDerWaalsContact CB-SD 3.53Å; K286-M333 HydrophobicContact CD-CE 3.87Å; K286-M333 HydrophobicContact CD-SD 4.33Å; K286-M333 HydrophobicContact CG-CE 4.07Å; K286-M333 HydrophobicContact CG-CG 4.4Å; K286-M333 HydrophobicContact CG-SD 3.85Å; K286-M333 VanDerWaalsContact O-SD 3.36Å; F287-M333 HydrophobicContact CE1-SD 4.37Å; F287-M333 HydrophobicContact CZ-CE 4.08Å; F287-M333 HydrophobicContact CZ-SD 4.36Å; V329-M333 HydrophobicContact CG1-SD 3.8Å; N330-M333 HydrophobicContact CB-CG 4.25Å; N330-M333 HydrophobicContact CB-SD 4.48Å; N330-M333 WeakPolarHBondContact O-CB 3.48Å; N330-M333 WeakPolarHBondContact O-CG 3.43Å; N330-M333 PolarHBondContact O-N 3.42Å; K331-M333 VanDerWaalsContact C-N 3.26Å; K331-M333 PolarHBondContact O-N 3.21Å
334	F	85.5	Confident	81.1	Confident	10 Å²	10	60.4 Å²	60.4	4%	0.044	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-76.7	128.1	177	-67.1	-90.4	0	0	0	109.7	P180 A182 V329 N332 P340 Q344 L532 P534	P180-F334 WeakPolarHBondContact O-CD1 3.28Å; A182-F334 HydrophobicContact CB-CD1 3.9Å; A182-F334 HydrophobicContact CB-CD2 4.11Å; A182-F334 HydrophobicContact CB-CE1 3.73Å; A182-F334 HydrophobicContact CB-CE2 3.94Å; A182-F334 HydrophobicContact CB-CG 4.09Å; A182-F334 HydrophobicContact CB-CZ 3.74Å; V329-F334 HydrophobicContact CG1-CE2 4.02Å; V329-F334 HydrophobicContact CG1-CZ 4.5Å; N332-F334 VanDerWaalsContact C-N 3.28Å; F334-P340 HydrophobicContact CD1-CG 4.32Å; F334-P340 HydrophobicContact CD2-CG 3.99Å; F334-P340 HydrophobicContact CE1-CG 4.25Å; F334-P340 HydrophobicContact CE2-CG 3.91Å; F334-P340 HydrophobicContact CG-CG 4.2Å; F334-P340 HydrophobicContact CZ-CG 4.05Å; F334-Q344 HydrophobicContact CE2-CB 4.36Å; F334-Q344 HydrophobicContact CE2-CG 4.45Å; F334-Q344 HydrophobicContact CZ-CB 4.3Å; F334-Q344 HydrophobicContact CZ-CG 3.99Å; F334-L532 HydrophobicContact CZ-CD2 4.31Å; F334-P534 HydrophobicContact CE1-CB 4.32Å
335	S	72.7	Confident	80.9	Confident	31 Å²	31	61 Å²	61	22%	0.217	32%	0.322	C	S	.	.			trans	-54.1	158.4	173.1	41.8	0	0	0	0	111.8	S179 P180 T181 G337	S179-S335 PolarHBondContact O-OG 3.08Å; P180-S335 WeakPolarHBondContact CA-OG 3.37Å; T181-S335 PolarHBondContact N-OG 3.14Å; T181-S335 PolarHBondContact O-N 2.87Å; T181-S335 PolarHBondContact O-OG 2.9Å; S335-G337 PolarHBondContact O-N 3.38Å
336	S	58.1	Low	80.7	Confident	137 Å²	137	61 Å²	61	96%	0.958	32%	0.322	S	S	*	.	S	Bend	trans	-60.3	24.8	-161.1	-50.1	0	0	0	0	118.9
337	G	60.5	Low	80.7	Confident	45 Å²	45	60.9 Å²	60.9	46%	0.464	32%	0.322	S	S	.	.	S	Bend	trans	-90.7	-155.4	169.3	0	0	0	0	0	113.9	S335 K339	S335-G337 PolarHBondContact O-N 3.38Å; G337-K339 PolarHBondContact O-N 2.98Å
338	V	57.9	Low	80.8	Confident	116 Å²	116	60.9 Å²	60.9	70%	0.703	32%	0.322	S	S	*	.			trans	-60.4	108.4	178.1	179.7	0	0	0	0	109.4
339	K	64.5	Low	80.9	Confident	111 Å²	111	59.1 Å²	59.1	48%	0.483	31%	0.314	S	S	.	.			trans	-63.4	142.9	171.7	-67.3	-170.4	178.5	-170.3	0	109.4	N332 G337 Q341	N332-K339 PolarHBondContact OD1-NZ 3.14Å; G337-K339 PolarHBondContact O-N 2.98Å; K339-Q341 PolarHBondContact O-N 3.2Å
340	P	63.9	Low	81.1	Confident	18 Å²	18	59 Å²	59	12%	0.117	31%	0.313	C	S	.	.			trans	-54.1	125	173.8	-21.6	30.5	0	0	0	110.3	K331 F334 E342 P534	K331-P340 WeakPolarHBondContact CE-O 3.48Å; K331-P340 PolarHBondContact NZ-O 3.01Å; F334-P340 HydrophobicContact CD1-CG 4.32Å; F334-P340 HydrophobicContact CD2-CG 3.99Å; F334-P340 HydrophobicContact CE1-CG 4.25Å; F334-P340 HydrophobicContact CE2-CG 3.91Å; F334-P340 HydrophobicContact CG-CG 4.2Å; F334-P340 HydrophobicContact CZ-CG 4.05Å; P340-E342 VanDerWaalsContact C-N 3.31Å; P340-P534 HydrophobicContact CG-CB 4.41Å
341	Q	59.2	Low	81.4	Confident	182 Å²	182	56.2 Å²	56.2	85%	0.85	30%	0.298	S	S	*	.	S	Bend	trans	-66.3	-40.6	175.8	-70.7	-173.2	-0.8	0	0	109.8	K331 K339	K331-Q341 PolarHBondContact NZ-O 3.06Å; K339-Q341 PolarHBondContact O-N 3.2Å
342	E	69.6	Low	81.9	Confident	149 Å²	149	53.6 Å²	53.6	70%	0.696	29%	0.287	S	S	*	.	S	Bend	trans	-88.1	172.2	178.6	-62.6	-176.6	177	0	0	112.8	K331 P340 Q344	K331-E342 PolarHBondContact NZ-O 3.22Å; P340-E342 VanDerWaalsContact C-N 3.31Å; E342-Q344 PolarHBondContact O-N 3.04Å
343	R	82.2	Confident	82.4	Confident	138 Å²	138	48.2 Å²	48.2	52%	0.521	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-74.5	124.1	175.2	-55.9	174.9	87.6	176.3	4	108	E328 M385	E328-R343 VanDerWaalsContact CD-NE 3.34Å; E328-R343 WeakPolarHBondContact OE1-CG 3.5Å; E328-R343 IonicContact OE1-CZ 3.4Å; E328-R343 IonicContact OE1-NE 3.35Å; E328-R343 PolarHBondContact OE1-NE 3.39Å; E328-R343 IonicContact OE1-NH2 3.66Å; E328-R343 IonicContact OE2-CZ 3.67Å; E328-R343 IonicContact OE2-NE 3.01Å; E328-R343 PolarHBondContact OE2-NE 3.45Å; E328-R343 IonicContact OE2-NH2 2.69Å; E328-R343 PolarHBondContact OE2-NH2 3.42Å; R343-M385 HydrophobicContact CB-CE 3.75Å; R343-M385 HydrophobicContact CG-CE 4.31Å
344	Q	89	Confident	82.9	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.061	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-84.9	116.5	172.8	179.6	67.4	55.8	0	0	109	V329 F334 E342 L532	V329-Q344 HydrophobicContact CB-CB 4.19Å; V329-Q344 HydrophobicContact CB-CG 4.04Å; V329-Q344 HydrophobicContact CG2-CG 3.96Å; V329-Q344 PolarHBondContact N-O 3.04Å; F334-Q344 HydrophobicContact CE2-CB 4.36Å; F334-Q344 HydrophobicContact CE2-CG 4.45Å; F334-Q344 HydrophobicContact CZ-CB 4.3Å; F334-Q344 HydrophobicContact CZ-CG 3.99Å; E342-Q344 PolarHBondContact O-N 3.04Å; Q344-L532 HydrophobicContact CG-CD2 3.88Å
345	L	93.3	Very high	83.4	Confident	11 Å²	11	55.2 Å²	55.2	6%	0.058	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	154.6	173.5	-61.3	179.1	0	0	0	111.2	V290 L326 L327 E328 M385 I397 P398	V290-L345 HydrophobicContact CG2-CD2 4.09Å; L326-L345 HydrophobicContact CD1-CB 4.19Å; L326-L345 HydrophobicContact CD1-CD1 4.36Å; L326-L345 HydrophobicContact CD2-CD1 4.17Å; L326-L345 HydrophobicContact CG-CD1 4.48Å; L327-L345 CarbonylContact O-C 3.6Å; L327-L345 VanDerWaalsContact O-CA 3.31Å; L327-L345 WeakPolarHBondContact O-CA 3.43Å; E328-L345 HydrophobicContact CB-CD2 4.26Å; L345-M385 HydrophobicContact CD1-SD 3.46Å; L345-M385 WeakPolarHBondContact CD1-SD 3.43Å; L345-M385 HydrophobicContact CG-SD 4.05Å; L345-I397 HydrophobicContact CB-CD1 4.41Å; L345-I397 HydrophobicContact CB-CG1 4.45Å; L345-I397 HydrophobicContact CB-CG2 4.1Å; L345-I397 HydrophobicContact CD1-CD1 3.92Å; L345-P398 WeakPolarHBondContact O-CD 3.12Å; L345-P398 VanDerWaalsContact O-CG 3.28Å; L345-P398 WeakPolarHBondContact O-CG 3.46Å
346	L	96.2	Very high	84.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.9	173.3	179	69.1	0	0	0	108.4	F184 I230 F287 L327 V329 V348 P398 V400 M492	F184-L346 HydrophobicContact CE1-CD2 4.32Å; F184-L346 HydrophobicContact CE2-CD2 3.99Å; F184-L346 HydrophobicContact CZ-CD1 4.39Å; F184-L346 HydrophobicContact CZ-CD2 3.68Å; I230-L346 HydrophobicContact CD1-CD2 3.84Å; F287-L346 HydrophobicContact CE1-CD2 4.11Å; L327-L346 PolarHBondContact N-O 2.95Å; L327-L346 PolarHBondContact O-N 3.31Å; V329-L346 HydrophobicContact CG2-CB 3.87Å; L346-V348 HydrophobicContact CD2-CG2 4.05Å; L346-V348 HydrophobicContact CG-CG2 4.11Å; L346-P398 HydrophobicContact CD1-CB 4.09Å; L346-P398 HydrophobicContact CD1-CG 4.02Å; L346-V400 HydrophobicContact CD1-CG2 4.15Å; L346-M492 HydrophobicContact CD1-CE 4.47Å; L346-M492 HydrophobicContact CD1-SD 4.32Å
347	L	97.9	Very high	86.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.2	172.6	-176.1	59.8	0	0	0	108.9	A324 L326 L374 I377 A378 I397 P398 I399 V400	A324-L347 HydrophobicContact CB-CD1 4.2Å; L326-L347 HydrophobicContact CD1-CB 4.4Å; L326-L347 HydrophobicContact CD1-CD1 4.41Å; L347-L374 HydrophobicContact CD2-CB 4.3Å; L347-L374 HydrophobicContact CD2-CD2 4.11Å; L347-L374 HydrophobicContact CG-CD2 4.48Å; L347-I377 HydrophobicContact CD1-CG2 4.09Å; L347-A378 HydrophobicContact CD2-CB 4.43Å; L347-I397 HydrophobicContact CB-CG2 4.15Å; L347-P398 PolarHBondContact N-O 3.41Å; L347-I399 HydrophobicContact CB-CB 4.37Å; L347-I399 HydrophobicContact CB-CG1 4.31Å; L347-I399 HydrophobicContact CD2-CD1 4.01Å; L347-I399 HydrophobicContact CD2-CG1 4.4Å; L347-I399 HydrophobicContact CG-CD1 4.29Å; L347-I399 HydrophobicContact CG-CG1 4.28Å; L347-I399 CarbonylContact O-C 3.47Å; L347-I399 VanDerWaalsContact O-CA 3.27Å; L347-I399 WeakPolarHBondContact O-CA 3.25Å; L347-I399 WeakPolarHBondContact O-CG1 3.28Å; L347-V400 PolarHBondContact O-N 3.13Å
348	V	98.8	Very high	87.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.8	174.8	-174.1	0	0	0	0	108.3	I230 I280 A324 V325 L327 L346 V400	I230-V348 HydrophobicContact CD1-CG2 3.9Å; I230-V348 HydrophobicContact CG2-CG1 3.78Å; I230-V348 HydrophobicContact CG2-CG2 4.36Å; I280-V348 HydrophobicContact CD1-CG1 4.16Å; I280-V348 WeakPolarHBondContact CD1-O 3.46Å; I280-V348 HydrophobicContact CG2-CG1 4.02Å; A324-V348 CarbonylContact C-O 3.51Å; A324-V348 VanDerWaalsContact CA-O 3.23Å; A324-V348 WeakPolarHBondContact CA-O 3.43Å; V325-V348 HydrophobicContact CG2-CB 3.89Å; V325-V348 PolarHBondContact N-O 2.78Å; V325-V348 PolarHBondContact O-N 2.74Å; L327-V348 HydrophobicContact CD1-CG2 3.75Å; L327-V348 HydrophobicContact CG-CG2 4.38Å; L346-V348 HydrophobicContact CD2-CG2 4.05Å; L346-V348 HydrophobicContact CG-CG2 4.11Å; V348-V400 CarbonylContact C-O 3.5Å; V348-V400 WeakPolarHBondContact CA-O 3.28Å
349	A	98.8	Very high	89.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143	-179	0	0	0	0	0	110.6	V323 A324 F370 L374 I399 V400 L401 C402	V323-A349 WeakPolarHBondContact O-CA 3.44Å; A324-A349 HydrophobicContact CB-CB 4.48Å; A349-F370 HydrophobicContact CB-CE1 3.93Å; A349-F370 HydrophobicContact CB-CZ 3.75Å; A349-L374 HydrophobicContact CB-CD1 3.78Å; A349-L374 HydrophobicContact CB-CD2 3.7Å; A349-L374 HydrophobicContact CB-CG 4.4Å; A349-I399 HydrophobicContact CB-CD1 4.28Å; A349-V400 PolarHBondContact N-O 3.36Å; A349-L401 HydrophobicContact CB-CD1 3.8Å; A349-C402 PolarHBondContact O-N 3.09Å
350	N	98.9	Very high	91.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	125.8	176.8	-179.7	10.3	0	0	0	110.5	L233 Q234 A279 I280 G322 V323 C402	L233-N350 PolarHBondContact N-ND2 3.47Å; L233-N350 PolarHBondContact O-ND2 3.23Å; Q234-N350 PolarHBondContact NE2-OD1 2.94Å; A279-N350 PolarHBondContact O-ND2 2.75Å; I280-N350 HydrophobicContact CD1-CB 3.77Å; I280-N350 HydrophobicContact CG1-CB 3.61Å; G322-N350 CarbonylContact C-O 3.49Å; G322-N350 VanDerWaalsContact CA-O 3.3Å; G322-N350 WeakPolarHBondContact CA-O 3.19Å; V323-N350 HydrophobicContact CG2-CB 3.89Å; V323-N350 PolarHBondContact N-O 3.08Å; V323-N350 PolarHBondContact O-N 2.96Å; N350-C402 WeakPolarHBondContact CA-O 3.4Å
351	A	98.8	Very high	93	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.4	177	0	0	0	0	0	113.5	F297 M353 F370 C402 A403 D404	F297-A351 HydrophobicContact CZ-CB 4.32Å; A351-M353 HydrophobicContact CB-CE 3.62Å; A351-M353 HydrophobicContact CB-SD 4.36Å; A351-F370 HydrophobicContact CB-CD1 3.83Å; A351-F370 HydrophobicContact CB-CE1 3.5Å; A351-F370 HydrophobicContact CB-CZ 4.02Å; A351-C402 PolarHBondContact N-O 3.07Å; A351-C402 VanDerWaalsContact N-O 3.17Å; A351-A403 HydrophobicContact CB-CB 4.33Å; A351-A403 WeakPolarHBondContact O-CA 3.45Å; A351-A403 WeakPolarHBondContact O-CB 3.45Å; A351-D404 PolarHBondContact O-N 2.68Å; A351-D404 VanDerWaalsContact O-N 3.11Å
352	H	98.6	Very high	94.8	Very high	18 Å²	18	41 Å²	41	8%	0.083	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	104	170.4	-176.6	-180	0	0	0	108.8	Q234 E235 N320 I321 D404 N406	Q234-H352 HydrophobicContact CB-CB 4.2Å; Q234-H352 HydrophobicContact CG-CB 4.06Å; E235-H352 IonicContact OE1-CE1 2.79Å; E235-H352 PolarHBondContact OE1-CE1 2.91Å; N320-H352 WeakPolarHBondContact CB-O 3.36Å; N320-H352 PolarHBondContact ND2-O 3.41Å; I321-H352 PolarHBondContact O-N 2.88Å; H352-D404 WeakPolarHBondContact CA-O 3Å; H352-D404 IonicContact CD2-OD2 2.76Å; H352-D404 IonicContact NE2-OD2 3.3Å; H352-N406 PolarHBondContact NE2-ND2 2.69Å
353	M	98.4	Very high	96.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	16%	0.159	C	C	.	.			trans	-77	166.3	-175.3	-56.1	-53.4	177	0	0	112.2	F297 N320 A351 Q366 F370 D404 L405 N406	F297-M353 HydrophobicContact CE2-CE 4.42Å; F297-M353 HydrophobicContact CE2-SD 3.67Å; F297-M353 HydrophobicContact CZ-CE 4.14Å; F297-M353 HydrophobicContact CZ-SD 3.98Å; N320-M353 PolarHBondContact ND2-O 3.18Å; A351-M353 HydrophobicContact CB-CE 3.62Å; A351-M353 HydrophobicContact CB-SD 4.36Å; M353-Q366 HydrophobicContact SD-CB 3.73Å; M353-F370 HydrophobicContact CE-CB 4.48Å; M353-F370 HydrophobicContact CE-CD1 4.23Å; M353-D404 PolarHBondContact N-O 3.23Å; M353-L405 HydrophobicContact CE-CD2 3.95Å; M353-L405 HydrophobicContact CG-CD2 3.84Å; M353-N406 PolarHBondContact O-ND2 3.02Å
354	H	98.3	Very high	96.9	Very high	19 Å²	19	28 Å²	28	9%	0.088	13%	0.134	C	C	.	.			trans	-58.7	142.2	176.5	-171.5	53.3	0	0	0	111.6	K318 N320 D356 Y359 V362 K363 N406	K318-H354 VanDerWaalsContact CE-CE1 3.47Å; K318-H354 WeakPolarHBondContact CE-CE1 3.4Å; K318-H354 WeakPolarHBondContact CE-NE2 3.3Å; N320-H354 PolarHBondContact ND2-N 3.13Å; N320-H354 WeakPolarHBondContact OD1-CA 3.43Å; N320-H354 WeakPolarHBondContact OD1-CB 3.21Å; H354-D356 WeakPolarHBondContact NE2-CB 3.47Å; H354-Y359 AromaticContact CD2-CG 3.98Å; H354-Y359 AromaticContact NE2-CG 3.99Å; H354-V362 HydrophobicContact CB-CG1 4.1Å; H354-K363 WeakPolarHBondContact O-CE 3.47Å; H354-K363 WeakPolarHBondContact O-CG 3.47Å; H354-N406 VanDerWaalsContact O-CB 3.32Å; H354-N406 WeakPolarHBondContact O-CB 3.18Å
355	W	96.2	Very high	97.3	Very high	168 Å²	168	27.4 Å²	27.4	64%	0.636	13%	0.131	S	C	*	.			trans	-89.6	-34.3	-169.5	67.7	-90.9	0	0	0	114.4	P357 K363	W355-P357 WeakPolarHBondContact O-CD 3.14Å; W355-K363 WeakPolarHBondContact O-CE 3.29Å; W355-K363 PolarHBondContact O-NZ 3.3Å
356	D	96.5	Very high	97.5	Very high	41 Å²	41	26.9 Å²	26.9	22%	0.219	13%	0.128	C	C	.	.			trans	-57.9	121.7	-167	-169.5	-30.2	0	0	0	112	H354 E358 Y359 K363	H354-D356 WeakPolarHBondContact NE2-CB 3.47Å; D356-E358 PolarHBondContact O-N 2.76Å; D356-E358 VanDerWaalsContact O-N 3.14Å; D356-E358 WeakPolarHBondContact OD1-CB 3.19Å; D356-E358 PolarHBondContact OD1-N 3Å; D356-Y359 HydrophobicContact CB-CD2 3.61Å; D356-Y359 HydrophobicContact CB-CE2 4.29Å; D356-Y359 HydrophobicContact CB-CG 4.37Å; D356-Y359 VanDerWaalsContact CG-CD2 3.41Å; D356-Y359 PolarHBondContact O-N 2.56Å; D356-Y359 WeakPolarHBondContact OD2-CD2 3.38Å; D356-Y359 WeakPolarHBondContact OD2-CE2 3.19Å; D356-K363 WeakPolarHBondContact O-CE 3.34Å; D356-K363 PolarHBondContact O-NZ 3.03Å
357	P	93.8	Very high	97.6	Very high	95 Å²	95	27 Å²	27	62%	0.617	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-55	-28.1	177.8	-26.3	35.2	0	0	0	113.8	W355 Y359	W355-P357 WeakPolarHBondContact O-CD 3.14Å; P357-Y359 PolarHBondContact O-N 3.06Å
358	E	95.8	Very high	97.6	Very high	122 Å²	122	26.9 Å²	26.9	57%	0.57	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-79.6	6.5	179.6	-67.3	-56.1	145.3	0	0	114.3	R314 D356 K430	R314-E358 PolarHBondContact NH2-O 2.94Å; D356-E358 PolarHBondContact O-N 2.76Å; D356-E358 VanDerWaalsContact O-N 3.14Å; D356-E358 WeakPolarHBondContact OD1-CB 3.19Å; D356-E358 PolarHBondContact OD1-N 3Å; E358-K430 VanDerWaalsContact C-NZ 3.28Å; E358-K430 WeakPolarHBondContact O-CE 3.26Å; E358-K430 PolarHBondContact O-NZ 3.36Å; E358-K430 IonicContact OE2-NZ 3.93Å; E358-K430 PolarHBondContact OE2-NZ 3.31Å; E358-K430 VanDerWaalsContact OE2-NZ 3.07Å
359	Y	97.4	Very high	97.5	Very high	61 Å²	61	26.9 Å²	26.9	24%	0.239	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-126.8	43.4	-176.4	-72.3	-100.3	0	0	0	112.1	R314 H354 D356 P357 D361 V362 K363	R314-Y359 HydrophobicContact CB-CE1 4.5Å; R314-Y359 HydrophobicContact CG-CE1 4.48Å; R314-Y359 VanDerWaalsContact CZ-CE1 3.46Å; R314-Y359 VanDerWaalsContact NH1-CE1 3.26Å; H354-Y359 AromaticContact CD2-CG 3.98Å; H354-Y359 AromaticContact NE2-CG 3.99Å; D356-Y359 HydrophobicContact CB-CD2 3.61Å; D356-Y359 HydrophobicContact CB-CE2 4.29Å; D356-Y359 HydrophobicContact CB-CG 4.37Å; D356-Y359 VanDerWaalsContact CG-CD2 3.41Å; D356-Y359 PolarHBondContact O-N 2.56Å; D356-Y359 WeakPolarHBondContact OD2-CD2 3.38Å; D356-Y359 WeakPolarHBondContact OD2-CE2 3.19Å; P357-Y359 PolarHBondContact O-N 3.06Å; Y359-D361 WeakPolarHBondContact CA-OD1 3.3Å; Y359-D361 PolarHBondContact O-N 3.42Å; Y359-V362 HydrophobicContact CD1-CB 4.49Å; Y359-V362 HydrophobicContact CD1-CG2 3.63Å; Y359-V362 HydrophobicContact CG-CG2 4.37Å; Y359-V362 PolarHBondContact O-N 3.09Å; Y359-V362 VanDerWaalsContact O-N 3.08Å; Y359-K363 WeakPolarHBondContact O-CG 3.32Å; Y359-K363 PolarHBondContact O-N 2.88Å; Y359-K363 VanDerWaalsContact O-N 3.09Å
360	S	97.6	Very high	97.5	Very high	23 Å²	23	27 Å²	27	16%	0.161	13%	0.129	C	C	.	.	H	α-helix	trans	-50.2	-38.3	171.5	57.2	0	0	0	0	112.9	K363 L364 D428 K430	S360-K363 PolarHBondContact O-N 3.32Å; S360-L364 WeakPolarHBondContact O-CB 3.38Å; S360-L364 PolarHBondContact O-N 3.16Å; S360-D428 CarbonylContact C-O 3.49Å; S360-D428 PolarHBondContact OG-O 3.36Å; S360-K430 WeakPolarHBondContact OG-CE 3.41Å
361	D	96.7	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-45	178.1	57.1	-43.6	0	0	0	111.1	R314 Y359 L364 I365 D428 L432 Y434	R314-D361 IonicContact CZ-OD1 2.88Å; R314-D361 IonicContact CZ-OD2 2.82Å; R314-D361 IonicContact NE-OD1 3.69Å; R314-D361 IonicContact NE-OD2 3.54Å; R314-D361 PolarHBondContact NE-OD2 3.42Å; R314-D361 IonicContact NH2-OD1 3.88Å; R314-D361 PolarHBondContact NH2-OD1 3.07Å; R314-D361 IonicContact NH2-OD2 3.62Å; R314-D361 PolarHBondContact NH2-OD2 2.89Å; Y359-D361 WeakPolarHBondContact CA-OD1 3.3Å; Y359-D361 PolarHBondContact O-N 3.42Å; D361-L364 PolarHBondContact O-N 2.88Å; D361-I365 WeakPolarHBondContact O-CB 3.3Å; D361-I365 WeakPolarHBondContact O-CG1 3.4Å; D361-I365 PolarHBondContact O-N 3.49Å; D361-D428 WeakPolarHBondContact CA-O 3.47Å; D361-D428 VanDerWaalsContact CB-O 3.3Å; D361-D428 WeakPolarHBondContact CB-O 3.45Å; D361-D428 PolarHBondContact N-O 2.89Å; D361-L432 WeakPolarHBondContact OD2-CD1 3.32Å; D361-Y434 HydrophobicContact CB-CE2 3.92Å; D361-Y434 PolarHBondContact OD2-OH 3.33Å
362	V	97.9	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-43	178.6	178.2	0	0	0	0	111	R314 V315 K318 H354 Y359 L364 I365 Q366	R314-V362 HydrophobicContact CB-CG2 4.1Å; R314-V362 WeakPolarHBondContact O-CG2 3.37Å; V315-V362 HydrophobicContact CG1-CG1 4.5Å; V315-V362 HydrophobicContact CG2-CG2 4.1Å; K318-V362 HydrophobicContact CG-CG1 4.03Å; H354-V362 HydrophobicContact CB-CG1 4.1Å; Y359-V362 HydrophobicContact CD1-CB 4.49Å; Y359-V362 HydrophobicContact CD1-CG2 3.63Å; Y359-V362 HydrophobicContact CG-CG2 4.37Å; Y359-V362 PolarHBondContact O-N 3.09Å; Y359-V362 VanDerWaalsContact O-N 3.08Å; V362-L364 VanDerWaalsContact C-N 3.3Å; V362-L364 PolarHBondContact O-N 3.43Å; V362-I365 PolarHBondContact O-N 3.24Å; V362-Q366 HydrophobicContact CG1-CG 4.14Å; V362-Q366 VanDerWaalsContact O-CB 3.32Å; V362-Q366 WeakPolarHBondContact O-CB 3.43Å; V362-Q366 VanDerWaalsContact O-CG 3.24Å; V362-Q366 WeakPolarHBondContact O-CG 3.32Å; V362-Q366 PolarHBondContact O-N 3.5Å
363	K	98.5	Very high	97	Very high	14 Å²	14	30 Å²	30	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-43.6	177.5	-64.1	172.4	-173.9	-174.7	0	111.2	H354 W355 D356 Y359 S360 T367 N406 V413	H354-K363 WeakPolarHBondContact O-CE 3.47Å; H354-K363 WeakPolarHBondContact O-CG 3.47Å; W355-K363 WeakPolarHBondContact O-CE 3.29Å; W355-K363 PolarHBondContact O-NZ 3.3Å; D356-K363 WeakPolarHBondContact O-CE 3.34Å; D356-K363 PolarHBondContact O-NZ 3.03Å; Y359-K363 WeakPolarHBondContact O-CG 3.32Å; Y359-K363 PolarHBondContact O-N 2.88Å; Y359-K363 VanDerWaalsContact O-N 3.09Å; S360-K363 PolarHBondContact O-N 3.32Å; K363-T367 PolarHBondContact O-N 3.28Å; K363-T367 VanDerWaalsContact O-N 3.1Å; K363-T367 PolarHBondContact O-OG1 3.15Å; K363-N406 HydrophobicContact CD-CB 4.45Å; K363-N406 WeakPolarHBondContact CD-O 3.38Å; K363-N406 WeakPolarHBondContact CE-O 3.45Å; K363-N406 PolarHBondContact NZ-O 2.95Å; K363-V413 HydrophobicContact CB-CG2 4.01Å
364	L	97.9	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-48.4	177.8	-175.2	52.9	0	0	0	112.5	S360 D361 V362 Q366 T367 M368 G412 V413 Y416 V422 D428 F429	S360-L364 WeakPolarHBondContact O-CB 3.38Å; S360-L364 PolarHBondContact O-N 3.16Å; D361-L364 PolarHBondContact O-N 2.88Å; V362-L364 VanDerWaalsContact C-N 3.3Å; V362-L364 PolarHBondContact O-N 3.43Å; L364-Q366 PolarHBondContact O-N 3.28Å; L364-T367 WeakPolarHBondContact O-CB 3.21Å; L364-T367 PolarHBondContact O-N 3.09Å; L364-M368 HydrophobicContact CD1-CE 3.9Å; L364-M368 HydrophobicContact CD2-CE 4.41Å; L364-M368 HydrophobicContact CG-CE 3.93Å; L364-M368 HydrophobicContact CG-SD 4.49Å; L364-M368 WeakPolarHBondContact O-CG 3.42Å; L364-M368 PolarHBondContact O-N 2.93Å; L364-G412 WeakPolarHBondContact CD1-O 3.28Å; L364-V413 HydrophobicContact CB-CG2 4.14Å; L364-V413 HydrophobicContact CD1-CG2 4.3Å; L364-Y416 HydrophobicContact CD1-CG 4.47Å; L364-V422 HydrophobicContact CD1-CG1 4.47Å; L364-V422 HydrophobicContact CD2-CG1 4.45Å; L364-D428 HydrophobicContact CD2-CB 4.19Å; L364-F429 HydrophobicContact CB-CE1 4.39Å; L364-F429 HydrophobicContact CD2-CD1 4.18Å; L364-F429 HydrophobicContact CD2-CD2 4.23Å; L364-F429 HydrophobicContact CD2-CE1 3.65Å; L364-F429 HydrophobicContact CD2-CE2 3.72Å; L364-F429 HydrophobicContact CD2-CG 4.44Å; L364-F429 HydrophobicContact CD2-CZ 3.4Å; L364-F429 VanDerWaalsContact CD2-CZ 3.4Å; L364-F429 HydrophobicContact CG-CE1 3.89Å; L364-F429 HydrophobicContact CG-CZ 3.82Å
365	I	96.8	Very high	96.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-41.1	178.7	-62.6	168.6	0	0	0	110.8	M311 V315 D361 V362 T367 M368 M369 F429 Y434 L438 F441	M311-I365 HydrophobicContact CE-CD1 4.3Å; M311-I365 HydrophobicContact CE-CG2 3.9Å; M311-I365 HydrophobicContact SD-CG2 3.89Å; V315-I365 HydrophobicContact CG1-CG2 4.09Å; V315-I365 HydrophobicContact CG2-CB 4.45Å; V315-I365 HydrophobicContact CG2-CD1 3.8Å; V315-I365 HydrophobicContact CG2-CG2 4.31Å; D361-I365 WeakPolarHBondContact O-CB 3.3Å; D361-I365 WeakPolarHBondContact O-CG1 3.4Å; D361-I365 PolarHBondContact O-N 3.49Å; V362-I365 PolarHBondContact O-N 3.24Å; I365-T367 VanDerWaalsContact C-N 3.28Å; I365-T367 PolarHBondContact O-N 3.34Å; I365-M368 PolarHBondContact O-N 3.26Å; I365-M369 HydrophobicContact CG2-CE 4.05Å; I365-M369 HydrophobicContact CG2-CG 4.36Å; I365-M369 HydrophobicContact CG2-SD 4.35Å; I365-M369 WeakPolarHBondContact O-CB 3.26Å; I365-M369 WeakPolarHBondContact O-CG 3.39Å; I365-M369 PolarHBondContact O-N 3.41Å; I365-F429 HydrophobicContact CD1-CE1 4.47Å; I365-F429 HydrophobicContact CG1-CD1 4.37Å; I365-F429 HydrophobicContact CG1-CE1 3.86Å; I365-Y434 HydrophobicContact CD1-CD1 3.74Å; I365-Y434 HydrophobicContact CD1-CD2 4.15Å; I365-Y434 HydrophobicContact CD1-CE1 3.57Å; I365-Y434 HydrophobicContact CD1-CE2 3.97Å; I365-Y434 HydrophobicContact CD1-CG 4.02Å; I365-L438 HydrophobicContact CD1-CD2 4.06Å; I365-L438 HydrophobicContact CG1-CD2 3.82Å; I365-F441 HydrophobicContact CG2-CE2 4.12Å
366	Q	98.4	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.5	-41.3	174.7	-76.1	178.5	-18.7	0	0	112	F297 N320 M353 V362 L364 M369 F370	F297-Q366 HydrophobicContact CB-CG 4.07Å; F297-Q366 HydrophobicContact CD2-CB 4.05Å; F297-Q366 HydrophobicContact CD2-CG 3.83Å; F297-Q366 HydrophobicContact CE2-CB 4.29Å; F297-Q366 HydrophobicContact CG-CB 4.29Å; F297-Q366 HydrophobicContact CG-CG 4.01Å; N320-Q366 PolarHBondContact OD1-NE2 2.85Å; M353-Q366 HydrophobicContact SD-CB 3.73Å; V362-Q366 HydrophobicContact CG1-CG 4.14Å; V362-Q366 VanDerWaalsContact O-CB 3.32Å; V362-Q366 WeakPolarHBondContact O-CB 3.43Å; V362-Q366 VanDerWaalsContact O-CG 3.24Å; V362-Q366 WeakPolarHBondContact O-CG 3.32Å; V362-Q366 PolarHBondContact O-N 3.5Å; L364-Q366 PolarHBondContact O-N 3.28Å; Q366-M369 HydrophobicContact CB-CE 4.4Å; Q366-M369 HydrophobicContact CG-CE 3.97Å; Q366-M369 PolarHBondContact O-N 3.06Å; Q366-F370 WeakPolarHBondContact O-CB 3.5Å; Q366-F370 PolarHBondContact O-N 2.93Å
367	T	98.4	Very high	96.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-43.4	176.2	-57.1	0	0	0	0	111.7	K363 L364 I365 F370 L371 V413 Y416 L417	K363-T367 PolarHBondContact O-N 3.28Å; K363-T367 VanDerWaalsContact O-N 3.1Å; K363-T367 PolarHBondContact O-OG1 3.15Å; L364-T367 WeakPolarHBondContact O-CB 3.21Å; L364-T367 PolarHBondContact O-N 3.09Å; I365-T367 VanDerWaalsContact C-N 3.28Å; I365-T367 PolarHBondContact O-N 3.34Å; T367-F370 PolarHBondContact O-N 3.28Å; T367-L371 HydrophobicContact CG2-CD1 4.23Å; T367-L371 WeakPolarHBondContact O-CD1 3.4Å; T367-L371 PolarHBondContact O-N 3.49Å; T367-V413 HydrophobicContact CG2-CG1 4Å; T367-V413 WeakPolarHBondContact OG1-CG1 3.39Å; T367-Y416 HydrophobicContact CG2-CD1 4.03Å; T367-Y416 HydrophobicContact CG2-CE1 4.35Å; T367-L417 HydrophobicContact CG2-CD1 4.07Å; T367-L417 HydrophobicContact CG2-CD2 3.72Å; T367-L417 HydrophobicContact CG2-CG 3.88Å
368	M	96.9	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.9	-68.1	176.6	169.2	0	0	112.4	L364 I365 F370 L371 S372 Y416 V422 F429 F441 I454	L364-M368 HydrophobicContact CD1-CE 3.9Å; L364-M368 HydrophobicContact CD2-CE 4.41Å; L364-M368 HydrophobicContact CG-CE 3.93Å; L364-M368 HydrophobicContact CG-SD 4.49Å; L364-M368 WeakPolarHBondContact O-CG 3.42Å; L364-M368 PolarHBondContact O-N 2.93Å; I365-M368 PolarHBondContact O-N 3.26Å; M368-F370 VanDerWaalsContact C-N 3.27Å; M368-F370 PolarHBondContact O-N 2.82Å; M368-L371 PolarHBondContact O-N 3.1Å; M368-S372 WeakPolarHBondContact O-CB 3.21Å; M368-S372 PolarHBondContact O-N 3.27Å; M368-Y416 HydrophobicContact CB-CE1 4.45Å; M368-Y416 HydrophobicContact CE-CD2 3.89Å; M368-Y416 HydrophobicContact CE-CE2 4.05Å; M368-Y416 HydrophobicContact CE-CG 4.34Å; M368-Y416 HydrophobicContact CG-CD1 4.28Å; M368-Y416 HydrophobicContact CG-CD2 4.48Å; M368-Y416 HydrophobicContact CG-CE1 3.84Å; M368-Y416 HydrophobicContact CG-CE2 4.09Å; M368-V422 HydrophobicContact CE-CG1 3.22Å; M368-F429 HydrophobicContact CE-CE2 4.44Å; M368-F429 HydrophobicContact CE-CZ 3.65Å; M368-F429 HydrophobicContact SD-CE1 4.47Å; M368-F429 HydrophobicContact SD-CZ 4Å; M368-F441 HydrophobicContact CB-CB 3.95Å; M368-F441 HydrophobicContact CB-CG 4.42Å; M368-I454 HydrophobicContact CE-CB 4.01Å; M368-I454 HydrophobicContact CE-CD1 3.78Å; M368-I454 HydrophobicContact CE-CG2 3.92Å; M368-I454 HydrophobicContact SD-CD1 3.98Å; M368-I454 HydrophobicContact SD-CG2 3.96Å
369	M	96.8	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.1	-44.3	174.6	-73.7	-171	-63.6	0	0	110.9	F297 V300 A301 V315 I365 Q366 S372 E373 F441	F297-M369 HydrophobicContact CB-CE 3.8Å; F297-M369 HydrophobicContact CD1-CB 4.4Å; F297-M369 HydrophobicContact CD1-CE 4.46Å; F297-M369 HydrophobicContact CG-CE 4.36Å; V300-M369 HydrophobicContact CB-CB 4.49Å; V300-M369 HydrophobicContact CB-CG 4.39Å; V300-M369 HydrophobicContact CB-SD 3.76Å; V300-M369 HydrophobicContact CG1-CB 3.92Å; V300-M369 HydrophobicContact CG1-CG 3.71Å; V300-M369 HydrophobicContact CG1-SD 3.62Å; A301-M369 HydrophobicContact CB-CE 4.27Å; A301-M369 HydrophobicContact CB-SD 3.95Å; A301-M369 PolarHBondContact N-SD 3.01Å; V315-M369 HydrophobicContact CG1-CE 3.68Å; I365-M369 HydrophobicContact CG2-CE 4.05Å; I365-M369 HydrophobicContact CG2-CG 4.36Å; I365-M369 HydrophobicContact CG2-SD 4.35Å; I365-M369 WeakPolarHBondContact O-CB 3.26Å; I365-M369 WeakPolarHBondContact O-CG 3.39Å; I365-M369 PolarHBondContact O-N 3.41Å; Q366-M369 HydrophobicContact CB-CE 4.4Å; Q366-M369 HydrophobicContact CG-CE 3.97Å; Q366-M369 PolarHBondContact O-N 3.06Å; M369-S372 PolarHBondContact O-N 3.4Å; M369-E373 WeakPolarHBondContact O-CG 3.39Å; M369-E373 PolarHBondContact O-N 3.42Å; M369-F441 HydrophobicContact CG-CD1 3.87Å; M369-F441 HydrophobicContact CG-CD2 4.49Å; M369-F441 HydrophobicContact CG-CE1 3.47Å; M369-F441 VanDerWaalsContact CG-CE1 3.47Å; M369-F441 HydrophobicContact CG-CE2 4.13Å; M369-F441 HydrophobicContact CG-CG 4.36Å; M369-F441 HydrophobicContact CG-CZ 3.59Å; M369-F441 HydrophobicContact SD-CE1 4.25Å; M369-F441 HydrophobicContact SD-CZ 4.02Å
370	F	97.9	Very high	95.3	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-47.8	-179.3	-165.3	-144	0	0	0	112	V295 F297 A349 A351 M353 Q366 T367 M368 S372 E373 L374 L401	V295-F370 HydrophobicContact CB-CD2 3.98Å; V295-F370 HydrophobicContact CB-CE2 4.2Å; V295-F370 HydrophobicContact CG1-CD2 4.25Å; V295-F370 HydrophobicContact CG2-CD2 3.92Å; V295-F370 HydrophobicContact CG2-CE2 3.97Å; F297-F370 HydrophobicContact CE1-CB 3.69Å; F297-F370 AromaticContact CE1-CD2 3.97Å; F297-F370 HydrophobicContact CE1-CD2 3.97Å; F297-F370 HydrophobicContact CE1-CG 4.03Å; F297-F370 HydrophobicContact CZ-CB 4.02Å; F297-F370 HydrophobicContact CZ-CD2 4.22Å; F297-F370 HydrophobicContact CZ-CG 4.1Å; A349-F370 HydrophobicContact CB-CE1 3.93Å; A349-F370 HydrophobicContact CB-CZ 3.75Å; A351-F370 HydrophobicContact CB-CD1 3.83Å; A351-F370 HydrophobicContact CB-CE1 3.5Å; A351-F370 HydrophobicContact CB-CZ 4.02Å; M353-F370 HydrophobicContact CE-CB 4.48Å; M353-F370 HydrophobicContact CE-CD1 4.23Å; Q366-F370 WeakPolarHBondContact O-CB 3.5Å; Q366-F370 PolarHBondContact O-N 2.93Å; T367-F370 PolarHBondContact O-N 3.28Å; M368-F370 VanDerWaalsContact C-N 3.27Å; M368-F370 PolarHBondContact O-N 2.82Å; F370-S372 VanDerWaalsContact C-N 3.35Å; F370-S372 PolarHBondContact O-N 3.3Å; F370-E373 PolarHBondContact O-N 2.82Å; F370-L374 HydrophobicContact CD1-CD1 3.83Å; F370-L374 HydrophobicContact CD2-CD1 4.11Å; F370-L374 HydrophobicContact CD2-CG 4.16Å; F370-L374 HydrophobicContact CE1-CD1 3.82Å; F370-L374 HydrophobicContact CE2-CD1 4.09Å; F370-L374 HydrophobicContact CE2-CD2 4.11Å; F370-L374 HydrophobicContact CE2-CG 4.09Å; F370-L374 HydrophobicContact CG-CD1 3.99Å; F370-L374 HydrophobicContact CG-CG 4.48Å; F370-L374 HydrophobicContact CZ-CD1 3.96Å; F370-L374 HydrophobicContact CZ-CD2 4.26Å; F370-L374 HydrophobicContact CZ-CG 4.37Å; F370-L374 WeakPolarHBondContact O-CB 3.38Å; F370-L374 WeakPolarHBondContact O-CG 3.32Å; F370-L374 PolarHBondContact O-N 3.28Å; F370-L401 HydrophobicContact CD1-CD1 3.92Å; F370-L401 HydrophobicContact CE1-CD1 3.44Å; F370-L401 VanDerWaalsContact CE1-CD1 3.44Å
371	L	96.1	Very high	94.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.9	-37.9	178.9	-93.3	68.4	0	0	0	112.5	T367 M368 L374 K375 L401 Y416 L417 H456 F458 L460	T367-L371 HydrophobicContact CG2-CD1 4.23Å; T367-L371 WeakPolarHBondContact O-CD1 3.4Å; T367-L371 PolarHBondContact O-N 3.49Å; M368-L371 PolarHBondContact O-N 3.1Å; L371-L374 PolarHBondContact O-N 2.99Å; L371-K375 WeakPolarHBondContact O-CB 3.24Å; L371-K375 PolarHBondContact O-N 3.14Å; L371-L401 HydrophobicContact CD1-CD2 4.02Å; L371-Y416 HydrophobicContact CB-CE1 4.41Å; L371-Y416 HydrophobicContact CD2-CE1 3.78Å; L371-L417 HydrophobicContact CD1-CD2 3.62Å; L371-L417 HydrophobicContact CD2-CD2 3.63Å; L371-L417 HydrophobicContact CG-CD2 4.28Å; L371-H456 HydrophobicContact CD2-CB 4.11Å; L371-F458 HydrophobicContact CB-CD2 4.48Å; L371-F458 HydrophobicContact CB-CE2 4.14Å; L371-F458 HydrophobicContact CD2-CD2 4.01Å; L371-F458 HydrophobicContact CD2-CE2 4.48Å; L371-F458 HydrophobicContact CG-CD2 4.07Å; L371-F458 HydrophobicContact CG-CE2 4.09Å; L371-F458 WeakPolarHBondContact O-CE2 3.21Å; L371-L460 HydrophobicContact CD2-CD1 4.28Å
372	S	94.3	Very high	94.2	Very high	22 Å²	22	18 Å²	18	15%	0.154	9%	0.086	C	C	.	.	H	α-helix	trans	-61	-44.1	175.3	-172	0	0	0	0	112.2	M368 M369 F370 K375 S376	M368-S372 WeakPolarHBondContact O-CB 3.21Å; M368-S372 PolarHBondContact O-N 3.27Å; M369-S372 PolarHBondContact O-N 3.4Å; F370-S372 VanDerWaalsContact C-N 3.35Å; F370-S372 PolarHBondContact O-N 3.3Å; S372-K375 WeakPolarHBondContact O-CB 3.19Å; S372-K375 PolarHBondContact O-N 3.49Å; S372-S376 PolarHBondContact O-N 3.35Å; S372-S376 PolarHBondContact O-OG 3.39Å; S372-S376 VanDerWaalsContact O-OG 3.07Å
373	E	95.5	Very high	93.1	Very high	61 Å²	61	20 Å²	20	29%	0.285	11%	0.106	S	C	.	.	H	α-helix	trans	-68.6	-41.6	176.8	-73.1	-60.4	136.3	0	0	112.2	V295 V300 M369 F370 K375 S376 I377	V295-E373 HydrophobicContact CG1-CB 4.12Å; V295-E373 HydrophobicContact CG1-CG 3.89Å; V295-E373 HydrophobicContact CG2-CB 3.76Å; V295-E373 HydrophobicContact CG2-CG 4.29Å; V300-E373 HydrophobicContact CG2-CG 4.21Å; M369-E373 WeakPolarHBondContact O-CG 3.39Å; M369-E373 PolarHBondContact O-N 3.42Å; F370-E373 PolarHBondContact O-N 2.82Å; E373-K375 PolarHBondContact O-N 2.86Å; E373-S376 WeakPolarHBondContact O-CB 3.28Å; E373-S376 PolarHBondContact O-N 3.01Å; E373-S376 VanDerWaalsContact O-N 3.17Å; E373-I377 WeakPolarHBondContact O-CG1 3.3Å; E373-I377 PolarHBondContact O-N 3.11Å
374	L	95.2	Very high	91.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-37.9	174.5	-69.9	168.2	0	0	0	111.7	A324 L347 A349 F370 L371 I377 A378 I399 F458	A324-L374 HydrophobicContact CB-CD2 3.55Å; L347-L374 HydrophobicContact CD2-CB 4.3Å; L347-L374 HydrophobicContact CD2-CD2 4.11Å; L347-L374 HydrophobicContact CG-CD2 4.48Å; A349-L374 HydrophobicContact CB-CD1 3.78Å; A349-L374 HydrophobicContact CB-CD2 3.7Å; A349-L374 HydrophobicContact CB-CG 4.4Å; F370-L374 HydrophobicContact CD1-CD1 3.83Å; F370-L374 HydrophobicContact CD2-CD1 4.11Å; F370-L374 HydrophobicContact CD2-CG 4.16Å; F370-L374 HydrophobicContact CE1-CD1 3.82Å; F370-L374 HydrophobicContact CE2-CD1 4.09Å; F370-L374 HydrophobicContact CE2-CD2 4.11Å; F370-L374 HydrophobicContact CE2-CG 4.09Å; F370-L374 HydrophobicContact CG-CD1 3.99Å; F370-L374 HydrophobicContact CG-CG 4.48Å; F370-L374 HydrophobicContact CZ-CD1 3.96Å; F370-L374 HydrophobicContact CZ-CD2 4.26Å; F370-L374 HydrophobicContact CZ-CG 4.37Å; F370-L374 WeakPolarHBondContact O-CB 3.38Å; F370-L374 WeakPolarHBondContact O-CG 3.32Å; F370-L374 PolarHBondContact O-N 3.28Å; L371-L374 PolarHBondContact O-N 2.99Å; L374-I377 HydrophobicContact CD2-CD1 4.47Å; L374-I377 PolarHBondContact O-N 3.46Å; L374-A378 PolarHBondContact O-N 2.85Å; L374-I399 HydrophobicContact CB-CD1 4.31Å; L374-I399 HydrophobicContact CD1-CD1 3.81Å; L374-I399 HydrophobicContact CD2-CD1 4.46Å; L374-I399 HydrophobicContact CG-CD1 4.42Å; L374-F458 HydrophobicContact CB-CZ 4.09Å
375	K	92.9	Very high	90	Very high	22 Å²	22	27.1 Å²	27.1	10%	0.096	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-47.9	175.5	173.1	171.7	172.1	159.3	0	110.1	L371 S372 E373 I377 A378 E379 P394 C443 F458	L371-K375 WeakPolarHBondContact O-CB 3.24Å; L371-K375 PolarHBondContact O-N 3.14Å; S372-K375 WeakPolarHBondContact O-CB 3.19Å; S372-K375 PolarHBondContact O-N 3.49Å; E373-K375 PolarHBondContact O-N 2.86Å; K375-I377 PolarHBondContact O-N 2.88Å; K375-A378 PolarHBondContact O-N 3.15Å; K375-A378 VanDerWaalsContact O-N 3.08Å; K375-E379 WeakPolarHBondContact CE-OE1 3.37Å; K375-E379 HydrophobicContact CG-CG 4.36Å; K375-E379 IonicContact NZ-OE1 3.88Å; K375-E379 WeakPolarHBondContact O-CG 3.21Å; K375-E379 PolarHBondContact O-N 2.96Å; K375-P394 HydrophobicContact CG-CB 4.2Å; K375-C443 HydrophobicContact CD-CB 3.5Å; K375-C443 VanDerWaalsContact CD-CB 3.5Å; K375-C443 WeakPolarHBondContact CE-O 3.26Å; K375-C443 PolarHBondContact NZ-O 3.48Å; K375-F458 HydrophobicContact CB-CE2 4.08Å; K375-F458 HydrophobicContact CB-CZ 3.77Å
376	S	92.1	Very high	88	Confident	32 Å²	32	30 Å²	30	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-35.1	177.5	-59.4	0	0	0	0	112.3	S372 E373 R380	S372-S376 PolarHBondContact O-N 3.35Å; S372-S376 PolarHBondContact O-OG 3.39Å; S372-S376 VanDerWaalsContact O-OG 3.07Å; E373-S376 WeakPolarHBondContact O-CB 3.28Å; E373-S376 PolarHBondContact O-N 3.01Å; E373-S376 VanDerWaalsContact O-N 3.17Å; S376-R380 WeakPolarHBondContact O-CG 3.48Å; S376-R380 PolarHBondContact O-N 3.09Å; S376-R380 PolarHBondContact O-NE 3.5Å; S376-R380 PolarHBondContact O-NH1 3.34Å
377	I	92.6	Very high	85.6	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-47.4	173	-68.1	161.9	0	0	0	110.8	H293 A324 L347 E373 L374 K375 R380 A381	H293-I377 HydrophobicContact CB-CD1 3.58Å; H293-I377 HydrophobicContact CB-CG1 4.41Å; A324-I377 HydrophobicContact CB-CD1 4.42Å; L347-I377 HydrophobicContact CD1-CG2 4.09Å; E373-I377 WeakPolarHBondContact O-CG1 3.3Å; E373-I377 PolarHBondContact O-N 3.11Å; L374-I377 HydrophobicContact CD2-CD1 4.47Å; L374-I377 PolarHBondContact O-N 3.46Å; K375-I377 PolarHBondContact O-N 2.88Å; I377-R380 PolarHBondContact O-N 2.72Å; I377-A381 WeakPolarHBondContact O-CB 3.37Å; I377-A381 PolarHBondContact O-N 3.36Å
378	A	91.3	Very high	82.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-44.6	179.2	0	0	0	0	0	112.1	L347 L374 K375 R380 A381 S382	L347-A378 HydrophobicContact CD2-CB 4.43Å; L374-A378 PolarHBondContact O-N 2.85Å; K375-A378 PolarHBondContact O-N 3.15Å; K375-A378 VanDerWaalsContact O-N 3.08Å; A378-R380 PolarHBondContact O-N 3.19Å; A378-A381 PolarHBondContact O-N 3.41Å; A378-S382 PolarHBondContact O-N 3.43Å; A378-S382 PolarHBondContact O-OG 3.19Å
379	E	89.1	Confident	80.1	Confident	76 Å²	76	46.8 Å²	46.8	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-45.2	177.9	-69.8	179.5	160.8	0	0	112.3	K375 A381 S382 G383 P394	K375-E379 WeakPolarHBondContact CE-OE1 3.37Å; K375-E379 HydrophobicContact CG-CG 4.36Å; K375-E379 IonicContact NZ-OE1 3.88Å; K375-E379 WeakPolarHBondContact O-CG 3.21Å; K375-E379 PolarHBondContact O-N 2.96Å; E379-A381 VanDerWaalsContact C-N 3.3Å; E379-A381 PolarHBondContact O-N 2.95Å; E379-S382 PolarHBondContact O-N 3.33Å; E379-G383 PolarHBondContact O-N 3.48Å; E379-P394 HydrophobicContact CG-CB 3.6Å; E379-P394 HydrophobicContact CG-CG 4.02Å
380	R	89.2	Confident	77.3	Confident	132 Å²	132	53.2 Å²	53.2	50%	0.498	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-37.1	177	-72.6	-173.1	-60.5	-99.7	5.7	112.2	S376 I377 A378 A384	S376-R380 WeakPolarHBondContact O-CG 3.48Å; S376-R380 PolarHBondContact O-N 3.09Å; S376-R380 PolarHBondContact O-NE 3.5Å; S376-R380 PolarHBondContact O-NH1 3.34Å; I377-R380 PolarHBondContact O-N 2.72Å; A378-R380 PolarHBondContact O-N 3.19Å; R380-A384 PolarHBondContact O-N 3.46Å
381	A	87.7	Confident	74.6	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	35%	0.349	C	S	.	.	H	α-helix	trans	-68.9	-44.7	177.6	0	0	0	0	0	111.9	L326 I377 A378 E379 A384 I397	L326-A381 HydrophobicContact CD1-CB 4.45Å; L326-A381 HydrophobicContact CD2-CB 3.56Å; I377-A381 WeakPolarHBondContact O-CB 3.37Å; I377-A381 PolarHBondContact O-N 3.36Å; A378-A381 PolarHBondContact O-N 3.41Å; E379-A381 VanDerWaalsContact C-N 3.3Å; E379-A381 PolarHBondContact O-N 2.95Å; A381-A384 PolarHBondContact O-N 3.02Å; A381-I397 HydrophobicContact CB-CD1 3.68Å
382	S	82.6	Confident	72.2	Confident	9 Å²	9	60.8 Å²	60.8	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-42.9	177	-60.7	0	0	0	0	112	A378 E379 A384 M385 T386 S396 I397	A378-S382 PolarHBondContact O-N 3.43Å; A378-S382 PolarHBondContact O-OG 3.19Å; E379-S382 PolarHBondContact O-N 3.33Å; S382-A384 VanDerWaalsContact C-N 3.25Å; S382-A384 PolarHBondContact O-N 3Å; S382-M385 WeakPolarHBondContact O-CB 3.35Å; S382-M385 PolarHBondContact O-N 3.05Å; S382-T386 PolarHBondContact O-N 3.09Å; S382-S396 PolarHBondContact OG-OG 3.23Å; S382-S396 VanDerWaalsContact OG-OG 3.08Å; S382-I397 WeakPolarHBondContact OG-CD1 3.42Å
383	G	74.6	Confident	70.3	Confident	41 Å²	41	64.1 Å²	64.1	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-28.1	177.2	0	0	0	0	0	114	E379 M385	E379-G383 PolarHBondContact O-N 3.48Å; G383-M385 VanDerWaalsContact C-N 3.27Å; G383-M385 PolarHBondContact O-N 2.9Å
384	A	67.4	Low	68.1	Low	84 Å²	84	61.9 Å²	61.9	69%	0.694	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.5	173.3	0	0	0	0	0	113.5	R380 A381 S382	R380-A384 PolarHBondContact O-N 3.46Å; A381-A384 PolarHBondContact O-N 3.02Å; S382-A384 VanDerWaalsContact C-N 3.25Å; S382-A384 PolarHBondContact O-N 3Å
385	M	63.3	Low	66.3	Low	80 Å²	80	63.2 Å²	63.2	39%	0.394	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-28.5	178.8	-69.1	-164.4	67.7	0	0	113.6	R343 L345 S382 G383	R343-M385 HydrophobicContact CB-CE 3.75Å; R343-M385 HydrophobicContact CG-CE 4.31Å; L345-M385 HydrophobicContact CD1-SD 3.46Å; L345-M385 WeakPolarHBondContact CD1-SD 3.43Å; L345-M385 HydrophobicContact CG-SD 4.05Å; S382-M385 WeakPolarHBondContact O-CB 3.35Å; S382-M385 PolarHBondContact O-N 3.05Å; G383-M385 VanDerWaalsContact C-N 3.27Å; G383-M385 PolarHBondContact O-N 2.9Å
386	T	56.5	Low	65.4	Low	60 Å²	60	64.9 Å²	64.9	37%	0.368	39%	0.393	S	S	.	.			trans	-103.6	108.5	-177	57.1	0	0	0	0	111.7	S382 D388	S382-T386 PolarHBondContact O-N 3.09Å; T386-D388 VanDerWaalsContact C-N 3.32Å
387	T	46.4	Very low	65.3	Low	137 Å²	137	63.8 Å²	63.8	84%	0.84	39%	0.385	S	S	*	.	S	Bend	trans	-78.6	-8.5	173.9	47.3	0	0	0	0	114.3
388	D	40.7	Very low	65.4	Low	156 Å²	156	63.7 Å²	63.7	83%	0.834	38%	0.384	S	S	*	.	S	Bend	trans	-137.4	20.6	-166.6	-84.2	-38.3	0	0	0	117.5	T386	T386-D388 VanDerWaalsContact C-N 3.32Å
389	S	40.4	Very low	65.7	Low	62 Å²	62	63.8 Å²	63.8	43%	0.434	38%	0.384	S	S	.	.			trans	-152.7	131.4	169.9	66	0	0	0	0	114.3	T391	S389-T391 VanDerWaalsContact C-N 3.33Å; S389-T391 PolarHBondContact O-N 2.91Å
390	P	38.2	Very low	66.1	Low	135 Å²	135	60.1 Å²	60.1	88%	0.877	37%	0.367	S	S	*	.	S	Bend	trans	-87.8	16.6	-170.5	35.3	-34.4	0	0	0	115.1
391	T	41.3	Very low	66.6	Low	121 Å²	121	54 Å²	54	74%	0.742	35%	0.345	S	S	*	.			trans	-137.3	69.8	179.8	59.6	0	0	0	0	110.8	S389	S389-T391 VanDerWaalsContact C-N 3.33Å; S389-T391 PolarHBondContact O-N 2.91Å
392	S	45.6	Very low	67.1	Low	40 Å²	40	53.9 Å²	53.9	28%	0.28	34%	0.343	S	S	.	.			trans	-77.9	117.6	171	57.6	0	0	0	0	109.5	P394	S392-P394 VanDerWaalsContact O-CD 3.31Å; S392-P394 WeakPolarHBondContact O-CD 3.38Å
393	D	54	Low	67.9	Low	91 Å²	91	53.5 Å²	53.5	49%	0.487	34%	0.34	S	S	.	.			trans	-68	119.5	175.9	-174.9	-6.2	0	0	0	109.8	S395 S396	D393-S395 PolarHBondContact O-N 3.32Å; D393-S395 VanDerWaalsContact O-N 3.08Å; D393-S395 VanDerWaalsContact OD1-CB 3.29Å; D393-S395 WeakPolarHBondContact OD1-CB 3.34Å; D393-S395 PolarHBondContact OD1-N 2.88Å; D393-S395 PolarHBondContact OD1-OG 2.67Å; D393-S395 VanDerWaalsContact OD1-OG 3.13Å; D393-S395 PolarHBondContact OD2-OG 3.03Å; D393-S396 WeakPolarHBondContact O-CB 3.42Å; D393-S396 PolarHBondContact O-N 3.37Å; D393-S396 PolarHBondContact O-OG 2.76Å
394	P	49.7	Very low	69	Low	14 Å²	14	51.6 Å²	51.6	9%	0.091	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-55.4	-21.3	173.3	15.1	-27.5	0	0	0	114.1	K375 E379 S392 S396	K375-P394 HydrophobicContact CG-CB 4.2Å; E379-P394 HydrophobicContact CG-CB 3.6Å; E379-P394 HydrophobicContact CG-CG 4.02Å; S392-P394 VanDerWaalsContact O-CD 3.31Å; S392-P394 WeakPolarHBondContact O-CD 3.38Å; P394-S396 PolarHBondContact O-N 2.88Å
395	S	57.9	Low	70.5	Confident	29 Å²	29	47.7 Å²	47.7	20%	0.203	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-67.8	-7.4	174	86.3	0	0	0	0	113.4	D393 H491	D393-S395 PolarHBondContact O-N 3.32Å; D393-S395 VanDerWaalsContact O-N 3.08Å; D393-S395 VanDerWaalsContact OD1-CB 3.29Å; D393-S395 WeakPolarHBondContact OD1-CB 3.34Å; D393-S395 PolarHBondContact OD1-N 2.88Å; D393-S395 PolarHBondContact OD1-OG 2.67Å; D393-S395 VanDerWaalsContact OD1-OG 3.13Å; D393-S395 PolarHBondContact OD2-OG 3.03Å; S395-H491 PolarHBondContact O-CE1 3.02Å; S395-H491 PolarHBondContact O-NE2 3.3Å
396	S	73.8	Confident	72.2	Confident	56 Å²	56	45.2 Å²	45.2	39%	0.392	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-69.5	-29	-178.2	54.8	0	0	0	0	115.4	S382 D393 P394	S382-S396 PolarHBondContact OG-OG 3.23Å; S382-S396 VanDerWaalsContact OG-OG 3.08Å; D393-S396 WeakPolarHBondContact O-CB 3.42Å; D393-S396 PolarHBondContact O-N 3.37Å; D393-S396 PolarHBondContact O-OG 2.76Å; P394-S396 PolarHBondContact O-N 2.88Å
397	I	90.1	Very high	74.2	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.051	26%	0.261	C	S	.	.	S	Bend	trans	-96.3	117.6	179.1	-60.4	177.4	0	0	0	108.8	L326 L345 L347 A381 S382	L326-I397 HydrophobicContact CD1-CD1 4.39Å; L326-I397 HydrophobicContact CD1-CG2 4.19Å; L345-I397 HydrophobicContact CB-CD1 4.41Å; L345-I397 HydrophobicContact CB-CG1 4.45Å; L345-I397 HydrophobicContact CB-CG2 4.1Å; L345-I397 HydrophobicContact CD1-CD1 3.92Å; L347-I397 HydrophobicContact CB-CG2 4.15Å; A381-I397 HydrophobicContact CB-CD1 3.68Å; S382-I397 WeakPolarHBondContact OG-CD1 3.42Å
398	P	93.9	Very high	76.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.238	C	C	.	.			trans	-61.5	139.7	176.2	25	-33.8	0	0	0	110.8	L345 L346 L347 H491 M492 L532	L345-P398 WeakPolarHBondContact O-CD 3.12Å; L345-P398 VanDerWaalsContact O-CG 3.28Å; L345-P398 WeakPolarHBondContact O-CG 3.46Å; L346-P398 HydrophobicContact CD1-CB 4.09Å; L346-P398 HydrophobicContact CD1-CG 4.02Å; L347-P398 PolarHBondContact N-O 3.41Å; P398-H491 HydrophobicContact CB-CB 3.75Å; P398-M492 HydrophobicContact CB-CE 3.95Å; P398-L532 HydrophobicContact CB-CD1 3.96Å; P398-L532 HydrophobicContact CG-CD1 3.78Å
399	I	96.6	Very high	79.4	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139	175	-173.6	170.6	0	0	0	112.1	L347 A349 L374 F458 L460 F487 S488 M492	L347-I399 HydrophobicContact CB-CB 4.37Å; L347-I399 HydrophobicContact CB-CG1 4.31Å; L347-I399 HydrophobicContact CD2-CD1 4.01Å; L347-I399 HydrophobicContact CD2-CG1 4.4Å; L347-I399 HydrophobicContact CG-CD1 4.29Å; L347-I399 HydrophobicContact CG-CG1 4.28Å; L347-I399 CarbonylContact O-C 3.47Å; L347-I399 VanDerWaalsContact O-CA 3.27Å; L347-I399 WeakPolarHBondContact O-CA 3.25Å; L347-I399 WeakPolarHBondContact O-CG1 3.28Å; A349-I399 HydrophobicContact CB-CD1 4.28Å; L374-I399 HydrophobicContact CB-CD1 4.31Å; L374-I399 HydrophobicContact CD1-CD1 3.81Å; L374-I399 HydrophobicContact CD2-CD1 4.46Å; L374-I399 HydrophobicContact CG-CD1 4.42Å; I399-F458 HydrophobicContact CB-CD1 4.46Å; I399-F458 HydrophobicContact CD1-CE1 4.41Å; I399-F458 HydrophobicContact CG2-CB 4.23Å; I399-F458 HydrophobicContact CG2-CD1 3.61Å; I399-F458 HydrophobicContact CG2-CE1 4.24Å; I399-F458 HydrophobicContact CG2-CG 4.15Å; I399-L460 HydrophobicContact CG2-CD2 3.59Å; I399-F487 CarbonylContact O-C 3.29Å; I399-F487 WeakPolarHBondContact O-CA 3.27Å; I399-S488 WeakPolarHBondContact CG2-OG 3.39Å; I399-S488 PolarHBondContact N-OG 3.4Å; I399-S488 PolarHBondContact O-N 3.11Å; I399-M492 WeakPolarHBondContact O-CE 3.18Å
400	V	98.7	Very high	82	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.5	161.7	174.8	0	0	0	0	107.9	F184 V186 L346 L347 V348 A349 I485 F486 M492 L530	F184-V400 HydrophobicContact CE2-CG2 4.36Å; F184-V400 HydrophobicContact CZ-CG2 4.31Å; V186-V400 HydrophobicContact CG1-CG1 3.84Å; V186-V400 HydrophobicContact CG2-CG1 4.12Å; L346-V400 HydrophobicContact CD1-CG2 4.15Å; L347-V400 PolarHBondContact O-N 3.13Å; V348-V400 CarbonylContact C-O 3.5Å; V348-V400 WeakPolarHBondContact CA-O 3.28Å; A349-V400 PolarHBondContact N-O 3.36Å; V400-I485 HydrophobicContact CG1-CG2 4.27Å; V400-F486 CarbonylContact C-O 3.56Å; V400-F486 WeakPolarHBondContact CA-O 3.47Å; V400-M492 HydrophobicContact CG2-CE 3.81Å; V400-M492 HydrophobicContact CG2-SD 3.88Å; V400-L530 HydrophobicContact CG1-CD1 4.44Å; V400-L530 HydrophobicContact CG2-CD1 3.69Å
401	L	98.8	Very high	84.9	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.2	-179.7	169.2	64.4	0	0	0	109.3	A349 F370 L371 L417 L460 I485 F486	A349-L401 HydrophobicContact CB-CD1 3.8Å; F370-L401 HydrophobicContact CD1-CD1 3.92Å; F370-L401 HydrophobicContact CE1-CD1 3.44Å; F370-L401 VanDerWaalsContact CE1-CD1 3.44Å; L371-L401 HydrophobicContact CD1-CD2 4.02Å; L401-L417 HydrophobicContact CD2-CD2 3.84Å; L401-L460 HydrophobicContact CD2-CD1 4.22Å; L401-I485 CarbonylContact O-C 3.12Å; L401-F486 HydrophobicContact CB-CB 4.09Å; L401-F486 HydrophobicContact CD2-CB 4.47Å; L401-F486 PolarHBondContact N-O 3.29Å; L401-F486 PolarHBondContact O-N 3.08Å
402	C	98.9	Very high	87.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.6	169.5	-60.8	0	0	0	0	108.9	V186 C188 S232 A349 N350 A351 Y484	V186-C402 VanDerWaalsContact CG1-SG 3.58Å; C188-C402 HydrophobicContact CB-CB 3.96Å; S232-C402 WeakPolarHBondContact OG-CB 3.32Å; S232-C402 PolarHBondContact OG-SG 2.97Å; S232-C402 VanDerWaalsContact OG-SG 3.41Å; A349-C402 PolarHBondContact O-N 3.09Å; N350-C402 WeakPolarHBondContact CA-O 3.4Å; A351-C402 PolarHBondContact N-O 3.07Å; A351-C402 VanDerWaalsContact N-O 3.17Å; C402-Y484 WeakPolarHBondContact CA-O 3.48Å
403	A	98.8	Very high	90.1	Very high	1 Å²	1	24 Å²	24	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	145.6	172	0	0	0	0	0	113	A351 L405 D483 Y484	A351-A403 HydrophobicContact CB-CB 4.33Å; A351-A403 WeakPolarHBondContact O-CA 3.45Å; A351-A403 WeakPolarHBondContact O-CB 3.45Å; A403-L405 HydrophobicContact CB-CD2 3.45Å; A403-L405 VanDerWaalsContact CB-CD2 3.45Å; A403-L405 HydrophobicContact CB-CG 3.81Å; A403-D483 WeakPolarHBondContact O-CA 3.49Å; A403-Y484 PolarHBondContact N-O 2.85Å; A403-Y484 PolarHBondContact O-N 3.46Å
404	D	98.8	Very high	92.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	101.8	150.6	-177.2	-16.7	0	0	0	107	N190 Q234 A351 H352 M353 N406 H523	N190-D404 PolarHBondContact ND2-OD2 2.81Å; Q234-D404 HydrophobicContact CG-CB 4.14Å; A351-D404 PolarHBondContact O-N 2.68Å; A351-D404 VanDerWaalsContact O-N 3.11Å; H352-D404 WeakPolarHBondContact CA-O 3Å; H352-D404 IonicContact CD2-OD2 2.76Å; H352-D404 IonicContact NE2-OD2 3.3Å; M353-D404 PolarHBondContact N-O 3.23Å; D404-N406 PolarHBondContact OD1-N 3.36Å; D404-N406 PolarHBondContact OD1-ND2 2.87Å; D404-H523 IonicContact OD2-CE1 3.12Å; D404-H523 PolarHBondContact OD2-CE1 2.85Å; D404-H523 VanDerWaalsContact OD2-CE1 3.28Å; D404-H523 IonicContact OD2-NE2 3.68Å
405	L	98.8	Very high	94.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.132	C	C	.	.			trans	-86.2	-11.9	-177.3	-65.2	-180	0	0	0	112.2	M353 A403 S407 V413 L417 I482 Y484 F486	M353-L405 HydrophobicContact CE-CD2 3.95Å; M353-L405 HydrophobicContact CG-CD2 3.84Å; A403-L405 HydrophobicContact CB-CD2 3.45Å; A403-L405 VanDerWaalsContact CB-CD2 3.45Å; A403-L405 HydrophobicContact CB-CG 3.81Å; L405-S407 WeakPolarHBondContact O-CB 3.22Å; L405-S407 PolarHBondContact O-N 3.12Å; L405-S407 PolarHBondContact O-OG 3.26Å; L405-V413 HydrophobicContact CB-CG1 4.45Å; L405-V413 HydrophobicContact CD1-CG1 3.96Å; L405-V413 HydrophobicContact CD2-CG1 4.33Å; L405-V413 HydrophobicContact CG-CG1 4.5Å; L405-L417 HydrophobicContact CD1-CD1 3.62Å; L405-I482 PolarHBondContact N-O 3.49Å; L405-Y484 HydrophobicContact CB-CD2 4.11Å; L405-Y484 HydrophobicContact CB-CE2 4.17Å; L405-Y484 HydrophobicContact CD1-CD2 3.41Å; L405-Y484 VanDerWaalsContact CD1-CD2 3.41Å; L405-Y484 HydrophobicContact CD1-CE2 3.86Å; L405-Y484 HydrophobicContact CD1-CG 4.05Å; L405-Y484 HydrophobicContact CG-CD2 3.84Å; L405-Y484 HydrophobicContact CG-CE2 4.34Å; L405-F486 HydrophobicContact CD1-CE2 4.39Å
406	N	98.7	Very high	96.3	Very high	28 Å²	28	21.6 Å²	21.6	15%	0.15	12%	0.123	C	C	.	.			trans	47.8	32.2	-169.4	-80.3	-74.7	0	0	0	113	H352 M353 H354 K363 D404	H352-N406 PolarHBondContact NE2-ND2 2.69Å; M353-N406 PolarHBondContact O-ND2 3.02Å; H354-N406 VanDerWaalsContact O-CB 3.32Å; H354-N406 WeakPolarHBondContact O-CB 3.18Å; K363-N406 HydrophobicContact CD-CB 4.45Å; K363-N406 WeakPolarHBondContact CD-O 3.38Å; K363-N406 WeakPolarHBondContact CE-O 3.45Å; K363-N406 PolarHBondContact NZ-O 2.95Å; D404-N406 PolarHBondContact OD1-N 3.36Å; D404-N406 PolarHBondContact OD1-ND2 2.87Å
407	S	98.5	Very high	97.4	Very high	7 Å²	7	19 Å²	19	5%	0.049	10%	0.104	C	C	.	.			trans	-137	126.4	-168.9	-60.4	0	0	0	0	110.6	L405 S411 V413 Y484	L405-S407 WeakPolarHBondContact O-CB 3.22Å; L405-S407 PolarHBondContact O-N 3.12Å; L405-S407 PolarHBondContact O-OG 3.26Å; S407-S411 WeakPolarHBondContact CB-OG 3.49Å; S407-V413 WeakPolarHBondContact OG-CG2 3.16Å; S407-Y484 VanDerWaalsContact O-CE2 3.31Å; S407-Y484 WeakPolarHBondContact O-CE2 3.44Å; S407-Y484 PolarHBondContact O-OH 2.88Å
408	L	97.9	Very high	97.7	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.356	11%	0.114	S	C	.	.			trans	-71.2	161.4	179.9	-70.3	174	0	0	0	111.8	D410 S411 V414 F478 I482	L408-D410 VanDerWaalsContact CB-OD1 3.26Å; L408-D410 WeakPolarHBondContact CB-OD1 3.3Å; L408-D410 PolarHBondContact O-N 3.06Å; L408-D410 VanDerWaalsContact O-N 3.09Å; L408-S411 WeakPolarHBondContact O-CB 3.26Å; L408-S411 PolarHBondContact O-N 3.23Å; L408-S411 PolarHBondContact O-OG 3.08Å; L408-V414 WeakPolarHBondContact O-CG2 3.26Å; L408-F478 HydrophobicContact CD2-CE2 4.3Å; L408-F478 HydrophobicContact CD2-CZ 3.92Å; L408-I482 HydrophobicContact CD2-CG2 4.3Å
409	P	97.3	Very high	97.8	Very high	57 Å²	57	26 Å²	26	37%	0.37	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.6	-177	-27.8	36.9	0	0	0	115.5	V414 V481 Y484	P409-V414 WeakPolarHBondContact O-CG1 3.31Å; P409-V481 HydrophobicContact CG-CB 3.97Å; P409-V481 HydrophobicContact CG-CG1 4.3Å; P409-Y484 WeakPolarHBondContact CD-OH 3.48Å
410	D	96.3	Very high	97.6	Very high	120 Å²	120	26.7 Å²	26.7	64%	0.642	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	7.8	179.4	67.5	-32.2	0	0	0	113.8	L408	L408-D410 VanDerWaalsContact CB-OD1 3.26Å; L408-D410 WeakPolarHBondContact CB-OD1 3.3Å; L408-D410 PolarHBondContact O-N 3.06Å; L408-D410 VanDerWaalsContact O-N 3.09Å
411	S	97.9	Very high	97.4	Very high	14 Å²	14	27.2 Å²	27.2	10%	0.098	16%	0.158	C	C	.	.	S	Bend	trans	-79.2	158	177.1	66.7	0	0	0	0	113	S407 L408 V413 V414 E415	S407-S411 WeakPolarHBondContact CB-OG 3.49Å; L408-S411 WeakPolarHBondContact O-CB 3.26Å; L408-S411 PolarHBondContact O-N 3.23Å; L408-S411 PolarHBondContact O-OG 3.08Å; S411-V413 PolarHBondContact O-N 3.22Å; S411-V414 PolarHBondContact O-N 2.83Å; S411-V414 PolarHBondContact OG-N 3.12Å; S411-E415 PolarHBondContact O-N 3.38Å
412	G	97.9	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-22.9	172.2	0	0	0	0	0	113.2	L364 Y416 H426 D428	L364-G412 WeakPolarHBondContact CD1-O 3.28Å; G412-Y416 WeakPolarHBondContact O-CB 3.23Å; G412-Y416 PolarHBondContact O-N 3.06Å; G412-H426 WeakPolarHBondContact CA-CE1 3.32Å; G412-D428 WeakPolarHBondContact CA-OD2 3.36Å; G412-D428 PolarHBondContact N-OD2 3.13Å
413	V	98.3	Very high	96.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-51.5	174.2	-179	0	0	0	0	110.7	K363 L364 T367 L405 S407 S411 Y416 L417	K363-V413 HydrophobicContact CB-CG2 4.01Å; L364-V413 HydrophobicContact CB-CG2 4.14Å; L364-V413 HydrophobicContact CD1-CG2 4.3Å; T367-V413 HydrophobicContact CG2-CG1 4Å; T367-V413 WeakPolarHBondContact OG1-CG1 3.39Å; L405-V413 HydrophobicContact CB-CG1 4.45Å; L405-V413 HydrophobicContact CD1-CG1 3.96Å; L405-V413 HydrophobicContact CD2-CG1 4.33Å; L405-V413 HydrophobicContact CG-CG1 4.5Å; S407-V413 WeakPolarHBondContact OG-CG2 3.16Å; S411-V413 PolarHBondContact O-N 3.22Å; V413-Y416 PolarHBondContact O-N 2.82Å; V413-L417 HydrophobicContact CG1-CD1 4.28Å; V413-L417 WeakPolarHBondContact O-CG 3.37Å; V413-L417 PolarHBondContact O-N 2.77Å; V413-L417 VanDerWaalsContact O-N 3.11Å
414	V	98.1	Very high	96.3	Very high	13 Å²	13	32.1 Å²	32.1	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-72	-35.8	-178.5	176.7	0	0	0	0	110.6	L408 P409 S411 S418 Y484 F486	L408-V414 WeakPolarHBondContact O-CG2 3.26Å; P409-V414 WeakPolarHBondContact O-CG1 3.31Å; S411-V414 PolarHBondContact O-N 2.83Å; S411-V414 PolarHBondContact OG-N 3.12Å; V414-S418 WeakPolarHBondContact O-CB 3.42Å; V414-S418 PolarHBondContact O-N 3.37Å; V414-S418 PolarHBondContact O-OG 3.13Å; V414-Y484 HydrophobicContact CG2-CE1 4.05Å; V414-Y484 HydrophobicContact CG2-CE2 4.17Å; V414-F486 HydrophobicContact CG1-CZ 4.4Å
415	E	97.7	Very high	95.8	Very high	70 Å²	70	38.4 Å²	38.4	33%	0.327	22%	0.221	S	C	.	.	H	α-helix	trans	-57	-53.5	170.4	-172.3	-172.6	143.1	0	0	111.1	S411 L417 S418 N419 H426	S411-E415 PolarHBondContact O-N 3.38Å; E415-L417 PolarHBondContact O-N 2.99Å; E415-S418 PolarHBondContact O-N 3.2Å; E415-N419 WeakPolarHBondContact CG-ND2 3.42Å; E415-N419 VanDerWaalsContact O-CB 3.28Å; E415-N419 WeakPolarHBondContact O-CB 3.15Å; E415-N419 PolarHBondContact O-N 2.96Å; E415-H426 IonicContact OE2-CD2 3.83Å; E415-H426 IonicContact OE2-NE2 3.07Å; E415-H426 PolarHBondContact OE2-NE2 2.96Å
416	Y	97.4	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.6	-52.6	179.6	174.1	-108.7	0	0	0	111.2	L364 T367 M368 L371 G412 V413 S418 G420 G421 V422 I454 H456	L364-Y416 HydrophobicContact CD1-CG 4.47Å; T367-Y416 HydrophobicContact CG2-CD1 4.03Å; T367-Y416 HydrophobicContact CG2-CE1 4.35Å; M368-Y416 HydrophobicContact CB-CE1 4.45Å; M368-Y416 HydrophobicContact CE-CD2 3.89Å; M368-Y416 HydrophobicContact CE-CE2 4.05Å; M368-Y416 HydrophobicContact CE-CG 4.34Å; M368-Y416 HydrophobicContact CG-CD1 4.28Å; M368-Y416 HydrophobicContact CG-CD2 4.48Å; M368-Y416 HydrophobicContact CG-CE1 3.84Å; M368-Y416 HydrophobicContact CG-CE2 4.09Å; L371-Y416 HydrophobicContact CB-CE1 4.41Å; L371-Y416 HydrophobicContact CD2-CE1 3.78Å; G412-Y416 WeakPolarHBondContact O-CB 3.23Å; G412-Y416 PolarHBondContact O-N 3.06Å; V413-Y416 PolarHBondContact O-N 2.82Å; Y416-S418 PolarHBondContact O-N 2.99Å; Y416-G420 PolarHBondContact O-N 3.1Å; Y416-G420 VanDerWaalsContact O-N 3.14Å; Y416-G421 PolarHBondContact O-N 3.06Å; Y416-G421 VanDerWaalsContact O-N 3.08Å; Y416-V422 HydrophobicContact CD2-CB 4.27Å; Y416-V422 HydrophobicContact CD2-CG1 3.88Å; Y416-V422 HydrophobicContact CG-CG1 4.4Å; Y416-I454 HydrophobicContact CE2-CG2 4.22Å; Y416-H456 AromaticContact CE1-CD2 3.79Å; Y416-H456 AromaticContact CE2-CD2 3.83Å; Y416-H456 AromaticContact CZ-CD2 3.6Å; Y416-H456 PolarHBondContact O-CD2 2.81Å; Y416-H456 PolarHBondContact O-NE2 3.36Å
417	L	97.1	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-42.3	-179.4	-69.2	171.9	0	0	0	113	T367 L371 L401 L405 V413 E415 H456 L460 F486	T367-L417 HydrophobicContact CG2-CD1 4.07Å; T367-L417 HydrophobicContact CG2-CD2 3.72Å; T367-L417 HydrophobicContact CG2-CG 3.88Å; L371-L417 HydrophobicContact CD1-CD2 3.62Å; L371-L417 HydrophobicContact CD2-CD2 3.63Å; L371-L417 HydrophobicContact CG-CD2 4.28Å; L401-L417 HydrophobicContact CD2-CD2 3.84Å; L405-L417 HydrophobicContact CD1-CD1 3.62Å; V413-L417 HydrophobicContact CG1-CD1 4.28Å; V413-L417 WeakPolarHBondContact O-CG 3.37Å; V413-L417 PolarHBondContact O-N 2.77Å; V413-L417 VanDerWaalsContact O-N 3.11Å; E415-L417 PolarHBondContact O-N 2.99Å; L417-H456 WeakPolarHBondContact CA-NE2 3.49Å; L417-H456 PolarHBondContact O-CE1 3.15Å; L417-H456 PolarHBondContact O-NE2 2.94Å; L417-L460 HydrophobicContact CD2-CD1 3.9Å; L417-L460 WeakPolarHBondContact O-CB 3.32Å; L417-F486 HydrophobicContact CB-CD1 4.39Å; L417-F486 HydrophobicContact CB-CE1 3.93Å; L417-F486 HydrophobicContact CB-CE2 4.31Å; L417-F486 HydrophobicContact CB-CZ 3.89Å; L417-F486 HydrophobicContact CD1-CD2 4.08Å; L417-F486 HydrophobicContact CD1-CE2 3.71Å; L417-F486 HydrophobicContact CD1-CZ 4.1Å
418	S	96.2	Very high	95.3	Very high	38 Å²	38	45.6 Å²	45.6	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-80.7	-37.6	-172.2	-55.8	0	0	0	0	112.8	V414 E415 Y416	V414-S418 WeakPolarHBondContact O-CB 3.42Å; V414-S418 PolarHBondContact O-N 3.37Å; V414-S418 PolarHBondContact O-OG 3.13Å; E415-S418 PolarHBondContact O-N 3.2Å; Y416-S418 PolarHBondContact O-N 2.99Å
419	N	95.3	Very high	95.1	Very high	120 Å²	120	42.5 Å²	42.5	64%	0.642	24%	0.235	S	C	*	.	H	α-helix	trans	-93.9	-7.8	-173.5	-63.2	-11.6	0	0	0	112.6	E415 G421	E415-N419 WeakPolarHBondContact CG-ND2 3.42Å; E415-N419 VanDerWaalsContact O-CB 3.28Å; E415-N419 WeakPolarHBondContact O-CB 3.15Å; E415-N419 PolarHBondContact O-N 2.96Å; N419-G421 VanDerWaalsContact C-N 3.3Å
420	G	93.1	Very high	94.7	Very high	17 Å²	17	43.4 Å²	43.4	18%	0.175	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	13.6	-176.3	0	0	0	0	0	113.2	Y416 T455 H456	Y416-G420 PolarHBondContact O-N 3.1Å; Y416-G420 VanDerWaalsContact O-N 3.14Å; G420-T455 CarbonylContact O-C 3.55Å; G420-T455 VanDerWaalsContact O-CA 3.25Å; G420-T455 WeakPolarHBondContact O-CA 3.34Å; G420-T455 WeakPolarHBondContact O-CB 3.32Å; G420-H456 WeakPolarHBondContact CA-NE2 3.4Å; G420-H456 PolarHBondContact O-N 3.32Å
421	G	93.2	Very high	94.1	Very high	11 Å²	11	47.1 Å²	47.1	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	170.3	-179.6	0	0	0	0	0	113.8	Y416 N419 I454	Y416-G421 PolarHBondContact O-N 3.06Å; Y416-G421 VanDerWaalsContact O-N 3.08Å; N419-G421 VanDerWaalsContact C-N 3.3Å; G421-I454 CarbonylContact C-O 3.59Å; G421-I454 WeakPolarHBondContact CA-O 3.49Å
422	V	94.3	Very high	93.2	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.2	177.1	71.1	0	0	0	0	109.3	L364 M368 Y416 H426 F429 S453 I454	L364-V422 HydrophobicContact CD1-CG1 4.47Å; L364-V422 HydrophobicContact CD2-CG1 4.45Å; M368-V422 HydrophobicContact CE-CG1 3.22Å; Y416-V422 HydrophobicContact CD2-CB 4.27Å; Y416-V422 HydrophobicContact CD2-CG1 3.88Å; Y416-V422 HydrophobicContact CG-CG1 4.4Å; V422-H426 HydrophobicContact CG2-CB 3.7Å; V422-F429 HydrophobicContact CG1-CE2 4.49Å; V422-S453 WeakPolarHBondContact O-CA 3.23Å; V422-I454 PolarHBondContact N-O 2.94Å; V422-I454 PolarHBondContact O-N 3.16Å
423	A	91.3	Very high	91.9	Very high	37 Å²	37	59.6 Å²	59.6	31%	0.306	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.5	176.1	0	0	0	0	0	111.6	N425 H426	A423-N425 VanDerWaalsContact CB-OD1 3.28Å; A423-N425 WeakPolarHBondContact CB-OD1 3.23Å; A423-N425 PolarHBondContact O-N 2.88Å; A423-H426 VanDerWaalsContact O-CB 3.25Å; A423-H426 WeakPolarHBondContact O-CB 3.5Å; A423-H426 PolarHBondContact O-N 3.16Å; A423-H426 VanDerWaalsContact O-N 3.12Å
424	E	87.4	Confident	90.8	Very high	66 Å²	66	59.6 Å²	59.6	31%	0.308	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.7	179.5	71.4	-171.7	172.6	0	0	113.3	F429 G452 I454	E424-F429 VanDerWaalsContact O-CD2 3.29Å; E424-F429 WeakPolarHBondContact O-CD2 3.32Å; E424-G452 VanDerWaalsContact CB-O 3.3Å; E424-G452 WeakPolarHBondContact CB-O 3.43Å; E424-G452 WeakPolarHBondContact CG-O 3.47Å; E424-G452 PolarHBondContact N-O 3.02Å; E424-I454 HydrophobicContact CB-CD1 4.45Å
425	N	88.8	Confident	89.3	Confident	134 Å²	134	62.2 Å²	62.2	72%	0.717	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	15.4	178.2	68.4	-10.9	0	0	0	113.2	A423 K427	A423-N425 VanDerWaalsContact CB-OD1 3.28Å; A423-N425 WeakPolarHBondContact CB-OD1 3.23Å; A423-N425 PolarHBondContact O-N 2.88Å; N425-K427 PolarHBondContact O-N 2.57Å
426	H	94.4	Very high	88.1	Confident	25 Å²	25	67 Å²	67	12%	0.116	33%	0.331	C	S	.	.			trans	-56.5	139.4	179.9	-174.8	-86.9	0	0	0	111.7	G412 E415 V422 A423 D428 F429	G412-H426 WeakPolarHBondContact CA-CE1 3.32Å; E415-H426 IonicContact OE2-CD2 3.83Å; E415-H426 IonicContact OE2-NE2 3.07Å; E415-H426 PolarHBondContact OE2-NE2 2.96Å; V422-H426 HydrophobicContact CG2-CB 3.7Å; A423-H426 VanDerWaalsContact O-CB 3.25Å; A423-H426 WeakPolarHBondContact O-CB 3.5Å; A423-H426 PolarHBondContact O-N 3.16Å; A423-H426 VanDerWaalsContact O-N 3.12Å; H426-D428 IonicContact CE1-OD1 2.67Å; H426-D428 PolarHBondContact CE1-OD1 3.17Å; H426-D428 IonicContact CE1-OD2 3.81Å; H426-D428 WeakPolarHBondContact ND1-CB 3.23Å; H426-D428 PolarHBondContact ND1-N 3.42Å; H426-D428 VanDerWaalsContact ND1-N 3.13Å; H426-D428 IonicContact ND1-OD1 3.98Å; H426-D428 PolarHBondContact O-N 2.99Å; H426-F429 HydrophobicContact CB-CD2 4.03Å; H426-F429 HydrophobicContact CB-CE2 4.24Å; H426-F429 WeakPolarHBondContact O-CB 3.37Å; H426-F429 PolarHBondContact O-N 3.32Å
427	K	94.8	Very high	87.4	Confident	143 Å²	143	67.2 Å²	67.2	62%	0.622	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-53.1	-31.3	-174.8	67.9	-177.4	179.7	176.9	0	113.6	N425 F429 K430	N425-K427 PolarHBondContact O-N 2.57Å; K427-F429 PolarHBondContact O-N 3.36Å; K427-K430 WeakPolarHBondContact O-CA 3.03Å; K427-K430 PolarHBondContact O-N 2.88Å
428	D	95.7	Very high	86.7	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.102	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19.6	-178.8	-72	14.2	0	0	0	112.7	S360 D361 L364 G412 H426 K430	S360-D428 CarbonylContact C-O 3.49Å; S360-D428 PolarHBondContact OG-O 3.36Å; D361-D428 WeakPolarHBondContact CA-O 3.47Å; D361-D428 VanDerWaalsContact CB-O 3.3Å; D361-D428 WeakPolarHBondContact CB-O 3.45Å; D361-D428 PolarHBondContact N-O 2.89Å; L364-D428 HydrophobicContact CD2-CB 4.19Å; G412-D428 WeakPolarHBondContact CA-OD2 3.36Å; G412-D428 PolarHBondContact N-OD2 3.13Å; H426-D428 IonicContact CE1-OD1 2.67Å; H426-D428 PolarHBondContact CE1-OD1 3.17Å; H426-D428 IonicContact CE1-OD2 3.81Å; H426-D428 WeakPolarHBondContact ND1-CB 3.23Å; H426-D428 PolarHBondContact ND1-N 3.42Å; H426-D428 VanDerWaalsContact ND1-N 3.13Å; H426-D428 IonicContact ND1-OD1 3.98Å; H426-D428 PolarHBondContact O-N 2.99Å; D428-K430 PolarHBondContact O-N 3.01Å
429	F	93.8	Very high	86	Confident	3 Å²	3	68.4 Å²	68.4	1%	0.013	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-74	-4.1	168.2	-66.2	-59.6	0	0	0	113.5	L364 I365 M368 V422 E424 H426 K427 E431 L432 Y434 L438 I454	L364-F429 HydrophobicContact CB-CE1 4.39Å; L364-F429 HydrophobicContact CD2-CD1 4.18Å; L364-F429 HydrophobicContact CD2-CD2 4.23Å; L364-F429 HydrophobicContact CD2-CE1 3.65Å; L364-F429 HydrophobicContact CD2-CE2 3.72Å; L364-F429 HydrophobicContact CD2-CG 4.44Å; L364-F429 HydrophobicContact CD2-CZ 3.4Å; L364-F429 VanDerWaalsContact CD2-CZ 3.4Å; L364-F429 HydrophobicContact CG-CE1 3.89Å; L364-F429 HydrophobicContact CG-CZ 3.82Å; I365-F429 HydrophobicContact CD1-CE1 4.47Å; I365-F429 HydrophobicContact CG1-CD1 4.37Å; I365-F429 HydrophobicContact CG1-CE1 3.86Å; M368-F429 HydrophobicContact CE-CE2 4.44Å; M368-F429 HydrophobicContact CE-CZ 3.65Å; M368-F429 HydrophobicContact SD-CE1 4.47Å; M368-F429 HydrophobicContact SD-CZ 4Å; V422-F429 HydrophobicContact CG1-CE2 4.49Å; E424-F429 VanDerWaalsContact O-CD2 3.29Å; E424-F429 WeakPolarHBondContact O-CD2 3.32Å; H426-F429 HydrophobicContact CB-CD2 4.03Å; H426-F429 HydrophobicContact CB-CE2 4.24Å; H426-F429 WeakPolarHBondContact O-CB 3.37Å; H426-F429 PolarHBondContact O-N 3.32Å; K427-F429 PolarHBondContact O-N 3.36Å; F429-E431 PolarHBondContact O-N 2.83Å; F429-L432 VanDerWaalsContact O-CB 3.28Å; F429-L432 WeakPolarHBondContact O-CB 3.33Å; F429-L432 WeakPolarHBondContact O-CG 3.46Å; F429-L432 PolarHBondContact O-N 2.89Å; F429-L432 VanDerWaalsContact O-N 3.08Å; F429-Y434 HydrophobicContact CD1-CD2 4.36Å; F429-L438 HydrophobicContact CD1-CD1 4.08Å; F429-L438 HydrophobicContact CD2-CD1 4.41Å; F429-L438 HydrophobicContact CE1-CD1 3.7Å; F429-L438 HydrophobicContact CE1-CD2 4.13Å; F429-L438 HydrophobicContact CE2-CD1 4.06Å; F429-L438 HydrophobicContact CG-CD1 4.42Å; F429-L438 HydrophobicContact CZ-CD1 3.68Å; F429-I454 HydrophobicContact CE2-CD1 4.35Å; F429-I454 HydrophobicContact CZ-CD1 4.11Å
430	K	90.4	Very high	85.5	Confident	77 Å²	77	65.4 Å²	65.4	34%	0.335	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	31.7	174.9	-58.3	-170.7	166	-155.7	0	114.5	E358 S360 K427 D428 L432	E358-K430 VanDerWaalsContact C-NZ 3.28Å; E358-K430 WeakPolarHBondContact O-CE 3.26Å; E358-K430 PolarHBondContact O-NZ 3.36Å; E358-K430 IonicContact OE2-NZ 3.93Å; E358-K430 PolarHBondContact OE2-NZ 3.31Å; E358-K430 VanDerWaalsContact OE2-NZ 3.07Å; S360-K430 WeakPolarHBondContact OG-CE 3.41Å; K427-K430 WeakPolarHBondContact O-CA 3.03Å; K427-K430 PolarHBondContact O-N 2.88Å; D428-K430 PolarHBondContact O-N 3.01Å; K430-L432 HydrophobicContact CB-CD1 4.04Å; K430-L432 HydrophobicContact CB-CG 4.08Å; K430-L432 PolarHBondContact O-N 3.5Å
431	E	83.2	Confident	85.1	Confident	198 Å²	198	64.7 Å²	64.7	93%	0.925	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	20.9	-175.7	-54.8	-179.6	174.6	0	0	113.7	F429	F429-E431 PolarHBondContact O-N 2.83Å
432	L	77.9	Confident	84.6	Confident	51 Å²	51	65.1 Å²	65.1	27%	0.267	31%	0.313	S	S	.	.			trans	-77.2	147.2	179	-63	168.7	0	0	0	110	V310 D361 F429 K430 Y434	V310-L432 HydrophobicContact CG1-CB 4.12Å; V310-L432 HydrophobicContact CG1-CD1 3.92Å; V310-L432 HydrophobicContact CG1-CD2 4.34Å; V310-L432 HydrophobicContact CG1-CG 4.34Å; D361-L432 WeakPolarHBondContact OD2-CD1 3.32Å; F429-L432 VanDerWaalsContact O-CB 3.28Å; F429-L432 WeakPolarHBondContact O-CB 3.33Å; F429-L432 WeakPolarHBondContact O-CG 3.46Å; F429-L432 PolarHBondContact O-N 2.89Å; F429-L432 VanDerWaalsContact O-N 3.08Å; K430-L432 HydrophobicContact CB-CD1 4.04Å; K430-L432 HydrophobicContact CB-CG 4.08Å; K430-L432 PolarHBondContact O-N 3.5Å; L432-Y434 HydrophobicContact CB-CD2 3.58Å; L432-Y434 HydrophobicContact CB-CE2 3.44Å; L432-Y434 VanDerWaalsContact CB-CE2 3.44Å; L432-Y434 HydrophobicContact CD1-CE2 3.59Å; L432-Y434 HydrophobicContact CG-CE2 4.13Å; L432-Y434 PolarHBondContact O-N 3.39Å
433	R	71.2	Confident	83.6	Confident	225 Å²	225	65.4 Å²	65.4	85%	0.849	32%	0.316	S	S	*	.	S	Bend	trans	-76.7	62.8	-177.4	-62.4	-175.6	-176.4	179.4	0.9	112.3
434	Y	75.6	Confident	82.5	Confident	1 Å²	1	68 Å²	68	0%	0.004	33%	0.325	C	S	.	.			trans	-88.5	-20.9	172.6	-65.7	-73.2	0	0	0	112.8	V310 M311 V315 D361 I365 F429 L432 E436 C437 L438	V310-Y434 HydrophobicContact CB-CD1 4.15Å; V310-Y434 HydrophobicContact CB-CE1 3.66Å; V310-Y434 HydrophobicContact CG1-CD1 4.3Å; V310-Y434 HydrophobicContact CG1-CE1 3.48Å; V310-Y434 VanDerWaalsContact CG1-CE1 3.48Å; V310-Y434 HydrophobicContact CG1-CE2 3.88Å; V310-Y434 WeakPolarHBondContact CG1-OH 3.43Å; M311-Y434 HydrophobicContact CE-CD1 4.19Å; V315-Y434 HydrophobicContact CG2-CE1 4.22Å; D361-Y434 HydrophobicContact CB-CE2 3.92Å; D361-Y434 PolarHBondContact OD2-OH 3.33Å; I365-Y434 HydrophobicContact CD1-CD1 3.74Å; I365-Y434 HydrophobicContact CD1-CD2 4.15Å; I365-Y434 HydrophobicContact CD1-CE1 3.57Å; I365-Y434 HydrophobicContact CD1-CE2 3.97Å; I365-Y434 HydrophobicContact CD1-CG 4.02Å; F429-Y434 HydrophobicContact CD1-CD2 4.36Å; L432-Y434 HydrophobicContact CB-CD2 3.58Å; L432-Y434 HydrophobicContact CB-CE2 3.44Å; L432-Y434 VanDerWaalsContact CB-CE2 3.44Å; L432-Y434 HydrophobicContact CD1-CE2 3.59Å; L432-Y434 HydrophobicContact CG-CE2 4.13Å; L432-Y434 PolarHBondContact O-N 3.39Å; Y434-E436 VanDerWaalsContact C-N 3.32Å; Y434-E436 PolarHBondContact O-N 3.1Å; Y434-C437 PolarHBondContact O-N 3.48Å; Y434-C437 PolarHBondContact O-SG 3.23Å; Y434-L438 PolarHBondContact O-N 3.19Å
435	N	66.3	Low	81.3	Confident	68 Å²	68	66.5 Å²	66.5	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-46.4	-44.1	-159.4	-60.9	2.9	0	0	0	115.6	C437	N435-C437 PolarHBondContact O-N 3.26Å
436	E	72.9	Confident	79.5	Confident	170 Å²	170	68.2 Å²	68.2	79%	0.794	33%	0.328	S	S	*	.	H	α-helix	trans	-64.5	-39.8	-177.9	-64.7	179.6	-174.1	0	0	112.4	Y434 T439	Y434-E436 VanDerWaalsContact C-N 3.32Å; Y434-E436 PolarHBondContact O-N 3.1Å; E436-T439 PolarHBondContact O-OG1 3.01Å
437	C	81.4	Confident	77.2	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.034	36%	0.364	C	S	.	.	H	α-helix	trans	-86.2	-20.9	-177.2	71.1	0	0	0	0	114.2	N304 M311 Y434 N435 T439 N440	N304-C437 WeakPolarHBondContact O-CB 3.47Å; M311-C437 WeakPolarHBondContact CE-SG 3.22Å; Y434-C437 PolarHBondContact O-N 3.48Å; Y434-C437 PolarHBondContact O-SG 3.23Å; N435-C437 PolarHBondContact O-N 3.26Å; C437-T439 PolarHBondContact O-N 3.29Å; C437-N440 VanDerWaalsContact O-CB 3.32Å; C437-N440 WeakPolarHBondContact O-CB 3.44Å; C437-N440 PolarHBondContact O-N 2.94Å; C437-N440 PolarHBondContact O-ND2 3.42Å
438	L	82.6	Confident	75	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-29.2	179	-65.5	179.7	0	0	0	112.9	M311 I365 F429 Y434 N440 F441 I454	M311-L438 HydrophobicContact CE-CD2 4.45Å; I365-L438 HydrophobicContact CD1-CD2 4.06Å; I365-L438 HydrophobicContact CG1-CD2 3.82Å; F429-L438 HydrophobicContact CD1-CD1 4.08Å; F429-L438 HydrophobicContact CD2-CD1 4.41Å; F429-L438 HydrophobicContact CE1-CD1 3.7Å; F429-L438 HydrophobicContact CE1-CD2 4.13Å; F429-L438 HydrophobicContact CE2-CD1 4.06Å; F429-L438 HydrophobicContact CG-CD1 4.42Å; F429-L438 HydrophobicContact CZ-CD1 3.68Å; Y434-L438 PolarHBondContact O-N 3.19Å; L438-N440 PolarHBondContact O-N 2.87Å; L438-N440 VanDerWaalsContact O-N 3.15Å; L438-F441 HydrophobicContact CD2-CD2 4.47Å; L438-F441 PolarHBondContact O-N 3.43Å; L438-I454 HydrophobicContact CB-CD1 3.61Å; L438-I454 HydrophobicContact CB-CG1 4.4Å; L438-I454 HydrophobicContact CD1-CD1 3.81Å; L438-I454 HydrophobicContact CG-CD1 4.26Å
439	T	82.4	Confident	72.9	Confident	61 Å²	61	74.2 Å²	74.2	37%	0.374	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-60.7	-22.5	177.7	62.9	0	0	0	0	112.8	E436 C437 F441 N442	E436-T439 PolarHBondContact O-OG1 3.01Å; C437-T439 PolarHBondContact O-N 3.29Å; T439-F441 PolarHBondContact O-N 2.65Å; T439-N442 WeakPolarHBondContact O-CB 3.47Å; T439-N442 PolarHBondContact O-N 2.97Å; T439-N442 VanDerWaalsContact O-N 3.1Å
440	N	84.8	Confident	71	Confident	58 Å²	58	80.7 Å²	80.7	31%	0.31	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-63.9	-21.7	174.2	-65.5	-35.1	0	0	0	112.9	N304 C437 L438	N304-N440 WeakPolarHBondContact OD1-CB 3.37Å; C437-N440 VanDerWaalsContact O-CB 3.32Å; C437-N440 WeakPolarHBondContact O-CB 3.44Å; C437-N440 PolarHBondContact O-N 2.94Å; C437-N440 PolarHBondContact O-ND2 3.42Å; L438-N440 PolarHBondContact O-N 2.87Å; L438-N440 VanDerWaalsContact O-N 3.15Å
441	F	83.7	Confident	69.8	Low	2 Å²	2	83.5 Å²	83.5	1%	0.009	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-97.6	4	177.8	-46.8	-56.2	0	0	0	113	V300 N304 M311 I365 M368 M369 L438 T439 C443	V300-F441 HydrophobicContact CG1-CE1 4.07Å; N304-F441 HydrophobicContact CB-CE1 3.76Å; N304-F441 HydrophobicContact CB-CZ 3.51Å; M311-F441 HydrophobicContact CE-CE2 3.94Å; M311-F441 HydrophobicContact CE-CZ 4.39Å; I365-F441 HydrophobicContact CG2-CE2 4.12Å; M368-F441 HydrophobicContact CB-CB 3.95Å; M368-F441 HydrophobicContact CB-CG 4.42Å; M369-F441 HydrophobicContact CG-CD1 3.87Å; M369-F441 HydrophobicContact CG-CD2 4.49Å; M369-F441 HydrophobicContact CG-CE1 3.47Å; M369-F441 VanDerWaalsContact CG-CE1 3.47Å; M369-F441 HydrophobicContact CG-CE2 4.13Å; M369-F441 HydrophobicContact CG-CG 4.36Å; M369-F441 HydrophobicContact CG-CZ 3.59Å; M369-F441 HydrophobicContact SD-CE1 4.25Å; M369-F441 HydrophobicContact SD-CZ 4.02Å; L438-F441 HydrophobicContact CD2-CD2 4.47Å; L438-F441 PolarHBondContact O-N 3.43Å; T439-F441 PolarHBondContact O-N 2.65Å; F441-C443 PolarHBondContact O-N 3.03Å; F441-C443 VanDerWaalsContact O-N 3.13Å
442	N	83	Confident	69.6	Low	19 Å²	19	75.2 Å²	75.2	10%	0.102	41%	0.408	C	S	.	.			trans	-71.6	108.8	173.5	-167.4	-4.5	0	0	0	109.6	T439 N444 G445 T455	T439-N442 WeakPolarHBondContact O-CB 3.47Å; T439-N442 PolarHBondContact O-N 2.97Å; T439-N442 VanDerWaalsContact O-N 3.1Å; N442-N444 PolarHBondContact O-N 2.86Å; N442-N444 PolarHBondContact OD1-N 2.88Å; N442-G445 PolarHBondContact O-N 3.01Å; N442-T455 PolarHBondContact OD1-N 2.95Å; N442-T455 PolarHBondContact OD1-O 3.09Å; N442-T455 PolarHBondContact OD1-OG1 3.17Å
443	C	74.4	Confident	69.9	Low	11 Å²	11	74.1 Å²	74.1	7%	0.074	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.4	-177.5	-70.8	0	0	0	0	111.6	K375 F441 G445 T455 H456	K375-C443 HydrophobicContact CD-CB 3.5Å; K375-C443 VanDerWaalsContact CD-CB 3.5Å; K375-C443 WeakPolarHBondContact CE-O 3.26Å; K375-C443 PolarHBondContact NZ-O 3.48Å; F441-C443 PolarHBondContact O-N 3.03Å; F441-C443 VanDerWaalsContact O-N 3.13Å; C443-G445 VanDerWaalsContact C-N 3.27Å; C443-G445 PolarHBondContact O-N 3.38Å; C443-T455 WeakPolarHBondContact CB-O 3.41Å; C443-T455 PolarHBondContact N-O 2.95Å; C443-H456 HydrophobicContact CB-CB 4.19Å
444	N	68.1	Low	70.7	Confident	92 Å²	92	63.6 Å²	63.6	49%	0.492	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	8.4	-173.3	-66.8	-29.8	0	0	0	114.6	N442 T455	N442-N444 PolarHBondContact O-N 2.86Å; N442-N444 PolarHBondContact OD1-N 2.88Å; N444-T455 PolarHBondContact ND2-OG1 3.07Å
445	G	60.8	Low	71.5	Confident	34 Å²	34	64.3 Å²	64.3	35%	0.351	37%	0.37	S	S	.	.			trans	106	164.1	174.3	0	0	0	0	0	114.5	N442 C443 N447	N442-G445 PolarHBondContact O-N 3.01Å; C443-G445 VanDerWaalsContact C-N 3.27Å; C443-G445 PolarHBondContact O-N 3.38Å; G445-N447 VanDerWaalsContact C-N 3.32Å; G445-N447 PolarHBondContact O-N 3.08Å
446	K	51.2	Low	72.7	Confident	170 Å²	170	61.4 Å²	61.4	74%	0.739	35%	0.354	S	S	*	.	S	Bend	trans	-71.6	-20.1	-175	-66.9	-169.7	176.5	-167.9	0	114.5	G448	K446-G448 PolarHBondContact O-N 2.84Å
447	N	46.9	Very low	73.4	Confident	163 Å²	163	54.4 Å²	54.4	87%	0.872	32%	0.324	S	S	*	.	S	Bend	trans	-81.9	72.2	168.1	-69.8	-8.5	0	0	0	107.4	G445	G445-N447 VanDerWaalsContact C-N 3.32Å; G445-N447 PolarHBondContact O-N 3.08Å
448	G	49.2	Very low	73.8	Confident	37 Å²	37	54.6 Å²	54.6	38%	0.381	32%	0.324	S	S	.	.			trans	-50.9	153.6	178.6	0	0	0	0	0	111	K446 S450	K446-G448 PolarHBondContact O-N 2.84Å; G448-S450 PolarHBondContact O-N 3.4Å
449	N	51.1	Low	74.3	Confident	112 Å²	112	58.9 Å²	58.9	60%	0.599	34%	0.344	S	S	*	.			trans	-45.5	134.6	157.8	-76.6	-13.4	0	0	0	107.1	D451	N449-D451 HydrophobicContact CB-CB 4.47Å; N449-D451 PolarHBondContact O-N 3.38Å
450	S	53.8	Low	75	Confident	139 Å²	139	56.1 Å²	56.1	97%	0.972	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	16.2	-178.6	45.4	0	0	0	0	114.7	G448	G448-S450 PolarHBondContact O-N 3.4Å
451	D	65.8	Low	75.5	Confident	136 Å²	136	58 Å²	58	73%	0.727	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	6.4	-166.9	-160.3	29.8	0	0	0	112.9	N449 S453	N449-D451 HydrophobicContact CB-CB 4.47Å; N449-D451 PolarHBondContact O-N 3.38Å; D451-S453 PolarHBondContact O-N 3.44Å
452	G	77.5	Confident	76.2	Confident	25 Å²	25	58.8 Å²	58.8	26%	0.258	34%	0.338	S	S	.	.			trans	67.3	33	173.4	0	0	0	0	0	114.8	E424	E424-G452 VanDerWaalsContact CB-O 3.3Å; E424-G452 WeakPolarHBondContact CB-O 3.43Å; E424-G452 WeakPolarHBondContact CG-O 3.47Å; E424-G452 PolarHBondContact N-O 3.02Å
453	S	85.5	Confident	76.9	Confident	27 Å²	27	58 Å²	58	19%	0.189	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.5	179.3	52.6	0	0	0	0	113.2	V422 D451	V422-S453 WeakPolarHBondContact O-CA 3.23Å; D451-S453 PolarHBondContact O-N 3.44Å
454	I	88.8	Confident	78	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.5	173.9	-57.4	154.8	0	0	0	107	M368 Y416 G421 V422 E424 F429 L438	M368-I454 HydrophobicContact CE-CB 4.01Å; M368-I454 HydrophobicContact CE-CD1 3.78Å; M368-I454 HydrophobicContact CE-CG2 3.92Å; M368-I454 HydrophobicContact SD-CD1 3.98Å; M368-I454 HydrophobicContact SD-CG2 3.96Å; Y416-I454 HydrophobicContact CE2-CG2 4.22Å; G421-I454 CarbonylContact C-O 3.59Å; G421-I454 WeakPolarHBondContact CA-O 3.49Å; V422-I454 PolarHBondContact N-O 2.94Å; V422-I454 PolarHBondContact O-N 3.16Å; E424-I454 HydrophobicContact CB-CD1 4.45Å; F429-I454 HydrophobicContact CE2-CD1 4.35Å; F429-I454 HydrophobicContact CZ-CD1 4.11Å; L438-I454 HydrophobicContact CB-CD1 3.61Å; L438-I454 HydrophobicContact CB-CG1 4.4Å; L438-I454 HydrophobicContact CD1-CD1 3.81Å; L438-I454 HydrophobicContact CG-CD1 4.26Å
455	T	91.4	Very high	78.7	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.098	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	160	-167.3	66.8	0	0	0	0	113.6	G420 N442 C443 N444	G420-T455 CarbonylContact O-C 3.55Å; G420-T455 VanDerWaalsContact O-CA 3.25Å; G420-T455 WeakPolarHBondContact O-CA 3.34Å; G420-T455 WeakPolarHBondContact O-CB 3.32Å; N442-T455 PolarHBondContact OD1-N 2.95Å; N442-T455 PolarHBondContact OD1-O 3.09Å; N442-T455 PolarHBondContact OD1-OG1 3.17Å; C443-T455 WeakPolarHBondContact CB-O 3.41Å; C443-T455 PolarHBondContact N-O 2.95Å; N444-T455 PolarHBondContact ND2-OG1 3.07Å
456	H	91.8	Very high	79.2	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.037	35%	0.345	C	S	.	.			trans	-138	153.9	170.2	74.1	83.8	0	0	0	112.7	L371 Y416 L417 G420 C443 F458	L371-H456 HydrophobicContact CD2-CB 4.11Å; Y416-H456 AromaticContact CE1-CD2 3.79Å; Y416-H456 AromaticContact CE2-CD2 3.83Å; Y416-H456 AromaticContact CZ-CD2 3.6Å; Y416-H456 PolarHBondContact O-CD2 2.81Å; Y416-H456 PolarHBondContact O-NE2 3.36Å; L417-H456 WeakPolarHBondContact CA-NE2 3.49Å; L417-H456 PolarHBondContact O-CE1 3.15Å; L417-H456 PolarHBondContact O-NE2 2.94Å; G420-H456 WeakPolarHBondContact CA-NE2 3.4Å; G420-H456 PolarHBondContact O-N 3.32Å; C443-H456 HydrophobicContact CB-CB 4.19Å; H456-F458 HydrophobicContact CB-CD2 4.31Å; H456-F458 AromaticContact ND1-CD2 3.83Å; H456-F458 PolarHBondContact ND1-N 3Å
457	S	87.5	Confident	80.6	Confident	23 Å²	23	59.7 Å²	59.7	16%	0.161	35%	0.348	C	S	.	.	S	Bend	trans	-97.4	-3.1	-172.8	55.9	0	0	0	0	115	Q459	S457-Q459 VanDerWaalsContact C-N 3.26Å; S457-Q459 PolarHBondContact O-N 3.31Å
458	F	89.9	Confident	82.7	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.035	32%	0.316	C	S	.	.	S	Bend	trans	-66	-16.7	-173	-67.4	-69.5	0	0	0	116.9	L371 L374 K375 I399 H456 L460	L371-F458 HydrophobicContact CB-CD2 4.48Å; L371-F458 HydrophobicContact CB-CE2 4.14Å; L371-F458 HydrophobicContact CD2-CD2 4.01Å; L371-F458 HydrophobicContact CD2-CE2 4.48Å; L371-F458 HydrophobicContact CG-CD2 4.07Å; L371-F458 HydrophobicContact CG-CE2 4.09Å; L371-F458 WeakPolarHBondContact O-CE2 3.21Å; L374-F458 HydrophobicContact CB-CZ 4.09Å; K375-F458 HydrophobicContact CB-CE2 4.08Å; K375-F458 HydrophobicContact CB-CZ 3.77Å; I399-F458 HydrophobicContact CB-CD1 4.46Å; I399-F458 HydrophobicContact CD1-CE1 4.41Å; I399-F458 HydrophobicContact CG2-CB 4.23Å; I399-F458 HydrophobicContact CG2-CD1 3.61Å; I399-F458 HydrophobicContact CG2-CE1 4.24Å; I399-F458 HydrophobicContact CG2-CG 4.15Å; H456-F458 HydrophobicContact CB-CD2 4.31Å; H456-F458 AromaticContact ND1-CD2 3.83Å; H456-F458 PolarHBondContact ND1-N 3Å; F458-L460 HydrophobicContact CB-CD1 4.3Å; F458-L460 HydrophobicContact CB-CD2 3.71Å; F458-L460 HydrophobicContact CB-CG 3.75Å; F458-L460 PolarHBondContact O-N 3.37Å
459	Q	92.8	Very high	84.8	Confident	91 Å²	91	52.2 Å²	52.2	43%	0.425	30%	0.299	S	S	.	.			trans	47.7	61.2	-179.3	-63.5	-172.5	54.1	0	0	112.8	S457 K489 T490	S457-Q459 VanDerWaalsContact C-N 3.26Å; S457-Q459 PolarHBondContact O-N 3.31Å; Q459-K489 HydrophobicContact CB-CG 4.34Å; Q459-K489 VanDerWaalsContact O-CG 3.25Å; Q459-K489 WeakPolarHBondContact O-CG 3.31Å; Q459-K489 PolarHBondContact O-N 2.67Å; Q459-T490 HydrophobicContact CB-CG2 4.22Å; Q459-T490 HydrophobicContact CG-CG2 4.5Å
460	L	96.3	Very high	86.9	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	155.3	-172.9	-55.4	173.1	0	0	0	111.8	L371 I399 L401 L417 F458 F486 F487	L371-L460 HydrophobicContact CD2-CD1 4.28Å; I399-L460 HydrophobicContact CG2-CD2 3.59Å; L401-L460 HydrophobicContact CD2-CD1 4.22Å; L417-L460 HydrophobicContact CD2-CD1 3.9Å; L417-L460 WeakPolarHBondContact O-CB 3.32Å; F458-L460 HydrophobicContact CB-CD1 4.3Å; F458-L460 HydrophobicContact CB-CD2 3.71Å; F458-L460 HydrophobicContact CB-CG 3.75Å; F458-L460 PolarHBondContact O-N 3.37Å; L460-F486 HydrophobicContact CB-CB 4.25Å; L460-F486 HydrophobicContact CB-CD1 3.76Å; L460-F486 HydrophobicContact CB-CG 4.39Å; L460-F486 HydrophobicContact CD1-CB 4.33Å; L460-F487 CarbonylContact C-O 3.55Å; L460-F487 WeakPolarHBondContact CA-O 3.29Å
461	K	96.9	Very high	88.9	Confident	98 Å²	98	45.3 Å²	45.3	43%	0.426	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138	166.2	-172	-175.2	174.1	-176.4	0	108.8	F486 F487 K489	K461-F486 VanDerWaalsContact C-CD1 3.47Å; K461-F486 CarbonylContact O-C 3.58Å; K461-F486 WeakPolarHBondContact O-CA 3.38Å; K461-F487 HydrophobicContact CB-CE1 4.34Å; K461-F487 HydrophobicContact CB-CE2 4.36Å; K461-F487 HydrophobicContact CB-CZ 4.07Å; K461-F487 HydrophobicContact CD-CZ 4.16Å; K461-F487 HydrophobicContact CG-CZ 4.38Å; K461-F487 PolarHBondContact N-O 3.4Å; K461-F487 VanDerWaalsContact O-CD1 3.25Å; K461-F487 WeakPolarHBondContact O-CD1 3.46Å; K461-F487 WeakPolarHBondContact O-CE1 3.26Å; K461-F487 PolarHBondContact O-N 2.82Å; K461-K489 HydrophobicContact CB-CB 3.93Å; K461-K489 HydrophobicContact CB-CD 4.39Å
462	S	97.9	Very high	90.5	Very high	18 Å²	18	38.9 Å²	38.9	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.1	169.2	178	0	0	0	0	110	Y464 I485	S462-Y464 WeakPolarHBondContact CB-O 3.12Å; S462-Y464 PolarHBondContact O-N 3.4Å; S462-Y464 PolarHBondContact OG-N 3.26Å; S462-Y464 PolarHBondContact OG-O 3.19Å; S462-I485 CarbonylContact C-O 3.5Å
463	A	97.6	Very high	91.5	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	21%	0.21	C	C	.	.	S	Bend	trans	-68	-26.2	171.3	0	0	0	0	0	112.4	I485 F487 V497 A528	A463-I485 HydrophobicContact CB-CB 4.15Å; A463-I485 HydrophobicContact CB-CG2 4.26Å; A463-I485 WeakPolarHBondContact CB-O 3.33Å; A463-I485 PolarHBondContact N-O 2.94Å; A463-F487 HydrophobicContact CB-CD1 4.25Å; A463-F487 HydrophobicContact CB-CE1 4.19Å; A463-V497 HydrophobicContact CB-CG1 4.48Å; A463-A528 HydrophobicContact CB-CB 3.76Å
464	Y	96.6	Very high	92.1	Very high	18 Å²	18	38 Å²	38	7%	0.071	21%	0.205	C	C	.	.	S	Bend	trans	-105.8	115	176.9	-71.4	-102.8	0	0	0	109.3	S462 L468 M469 V497 L498 L526 L527 A528	S462-Y464 WeakPolarHBondContact CB-O 3.12Å; S462-Y464 PolarHBondContact O-N 3.4Å; S462-Y464 PolarHBondContact OG-N 3.26Å; S462-Y464 PolarHBondContact OG-O 3.19Å; Y464-L468 HydrophobicContact CD1-CB 4.29Å; Y464-M469 HydrophobicContact CD1-CB 4.33Å; Y464-M469 HydrophobicContact CD1-CG 3.79Å; Y464-M469 HydrophobicContact CD1-SD 3.77Å; Y464-M469 HydrophobicContact CE1-CG 3.78Å; Y464-M469 HydrophobicContact CE1-SD 3.34Å; Y464-M469 WeakPolarHBondContact CE1-SD 3.5Å; Y464-V497 HydrophobicContact CD1-CB 4.45Å; Y464-V497 HydrophobicContact CD1-CG2 4.37Å; Y464-V497 HydrophobicContact CD2-CG1 4.32Å; Y464-V497 HydrophobicContact CE1-CB 3.82Å; Y464-V497 HydrophobicContact CE1-CG1 4.37Å; Y464-V497 HydrophobicContact CE1-CG2 4.01Å; Y464-V497 HydrophobicContact CE2-CB 4.14Å; Y464-V497 HydrophobicContact CE2-CG1 3.96Å; Y464-L498 WeakPolarHBondContact CE1-O 3.41Å; Y464-L498 PolarHBondContact OH-N 2.88Å; Y464-L498 PolarHBondContact OH-O 3.06Å; Y464-L498 VanDerWaalsContact OH-O 3.13Å; Y464-L526 HydrophobicContact CD2-CD2 3.81Å; Y464-L526 HydrophobicContact CD2-CG 4.24Å; Y464-L526 HydrophobicContact CE2-CB 3.79Å; Y464-L526 HydrophobicContact CE2-CD2 3.93Å; Y464-L526 HydrophobicContact CE2-CG 3.9Å; Y464-L526 HydrophobicContact CG-CD2 4.45Å; Y464-L527 PolarHBondContact OH-N 2.86Å; Y464-L527 PolarHBondContact OH-O 3.35Å; Y464-A528 HydrophobicContact CE2-CB 4.48Å
465	D	83.5	Confident	92.6	Very high	83 Å²	83	38.7 Å²	38.7	44%	0.444	21%	0.21	S	C	.	.			trans	-68.5	153.7	164.3	-67.9	-26.6	0	0	0	109.5	N467 L468	D465-N467 PolarHBondContact O-N 3.16Å; D465-L468 HydrophobicContact CB-CD1 4.24Å; D465-L468 HydrophobicContact CB-CG 4.35Å; D465-L468 PolarHBondContact O-N 3.4Å
466	S	72.2	Confident	92.7	Very high	88 Å²	88	40.4 Å²	40.4	62%	0.615	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.7	-173	52.4	0	0	0	0	115.3
467	N	79.9	Confident	92.8	Very high	153 Å²	153	46.3 Å²	46.3	82%	0.818	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-8	-179	-62.1	-29.7	0	0	0	113.8	D465	D465-N467 PolarHBondContact O-N 3.16Å
468	L	91.6	Very high	93.3	Very high	37 Å²	37	49 Å²	49	19%	0.194	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-41.4	-173.9	-69.2	175.7	0	0	0	112.6	I170 L172 Y464 D465 V497 P500	I170-L468 HydrophobicContact CD1-CD2 4.18Å; I170-L468 HydrophobicContact CG2-CD2 4.31Å; L172-L468 HydrophobicContact CD2-CD1 3.96Å; L172-L468 HydrophobicContact CD2-CD2 4.45Å; Y464-L468 HydrophobicContact CD1-CB 4.29Å; D465-L468 HydrophobicContact CB-CD1 4.24Å; D465-L468 HydrophobicContact CB-CG 4.35Å; D465-L468 PolarHBondContact O-N 3.4Å; L468-V497 HydrophobicContact CD1-CG2 4.02Å; L468-P500 WeakPolarHBondContact O-CD 3.41Å
469	M	93.2	Very high	93.7	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.03	27%	0.271	C	S	.	.			trans	-125.2	122.2	173.2	-76.2	-172.8	66.4	0	0	109.2	Y464 Y471 T472 V481 P500 F524	Y464-M469 HydrophobicContact CD1-CB 4.33Å; Y464-M469 HydrophobicContact CD1-CG 3.79Å; Y464-M469 HydrophobicContact CD1-SD 3.77Å; Y464-M469 HydrophobicContact CE1-CG 3.78Å; Y464-M469 HydrophobicContact CE1-SD 3.34Å; Y464-M469 WeakPolarHBondContact CE1-SD 3.5Å; M469-Y471 WeakPolarHBondContact CE-O 3.03Å; M469-Y471 PolarHBondContact O-N 2.76Å; M469-T472 HydrophobicContact CE-CG2 4.34Å; M469-V481 VanDerWaalsContact O-CG2 3.3Å; M469-V481 WeakPolarHBondContact O-CG2 3.28Å; M469-P500 HydrophobicContact CG-CB 4.37Å; M469-F524 HydrophobicContact CE-CB 4.05Å
470	P	94.5	Very high	93.9	Very high	76 Å²	76	48.4 Å²	48.4	49%	0.494	25%	0.253	S	S	.	.	S	Bend	trans	-71.3	-22.9	-179.4	28.2	-34.4	0	0	0	112.9
471	Y	96.8	Very high	94	Very high	30 Å²	30	49.4 Å²	49.4	12%	0.118	26%	0.259	C	S	.	.			trans	-158.4	151.5	-180	38.8	-103	0	0	0	109.9	M469 Y474 L506 F524	M469-Y471 WeakPolarHBondContact CE-O 3.03Å; M469-Y471 PolarHBondContact O-N 2.76Å; Y471-Y474 AromaticContact CD1-CD2 3.99Å; Y471-Y474 HydrophobicContact CD1-CD2 3.99Å; Y471-Y474 HydrophobicContact CD1-CE2 4.35Å; Y471-Y474 AromaticContact CD2-CD2 3.6Å; Y471-Y474 HydrophobicContact CD2-CD2 3.6Å; Y471-Y474 HydrophobicContact CD2-CE2 4.47Å; Y471-Y474 HydrophobicContact CD2-CG 4.27Å; Y471-Y474 AromaticContact CE1-CD2 3.87Å; Y471-Y474 HydrophobicContact CE1-CD2 3.87Å; Y471-Y474 AromaticContact CE1-CE2 3.84Å; Y471-Y474 HydrophobicContact CE1-CE2 3.84Å; Y471-Y474 AromaticContact CE2-CD2 3.47Å; Y471-Y474 HydrophobicContact CE2-CD2 3.47Å; Y471-Y474 VanDerWaalsContact CE2-CD2 3.47Å; Y471-Y474 AromaticContact CE2-CE2 3.99Å; Y471-Y474 HydrophobicContact CE2-CE2 3.99Å; Y471-Y474 HydrophobicContact CE2-CG 4.23Å; Y471-Y474 AromaticContact CG-CD2 3.87Å; Y471-Y474 HydrophobicContact CG-CD2 3.87Å; Y471-Y474 AromaticContact CZ-CD2 3.61Å; Y471-Y474 AromaticContact CZ-CE2 3.65Å; Y471-L506 WeakPolarHBondContact OH-CD1 3.34Å; Y471-F524 AromaticContact CD2-CD2 3.96Å; Y471-F524 HydrophobicContact CD2-CD2 3.96Å; Y471-F524 AromaticContact CD2-CE2 3.81Å; Y471-F524 HydrophobicContact CD2-CE2 3.81Å; Y471-F524 HydrophobicContact CE2-CD2 4.12Å; Y471-F524 AromaticContact CE2-CE2 3.6Å; Y471-F524 HydrophobicContact CE2-CE2 3.6Å
472	T	98.3	Very high	94.1	Very high	2 Å²	2	45 Å²	45	1%	0.012	24%	0.24	C	C	.	.	S	Bend	trans	-114.4	-34.7	170.5	63.9	0	0	0	0	110.4	M469 G480 V481 I482 D483 H523 F524 L526	M469-T472 HydrophobicContact CE-CG2 4.34Å; T472-G480 PolarHBondContact N-O 2.78Å; T472-G480 PolarHBondContact OG1-O 3.35Å; T472-V481 HydrophobicContact CG2-CB 4.39Å; T472-V481 HydrophobicContact CG2-CG1 3.94Å; T472-V481 HydrophobicContact CG2-CG2 4.42Å; T472-I482 PolarHBondContact OG1-N 3.04Å; T472-D483 WeakPolarHBondContact CB-OD2 3.4Å; T472-D483 HydrophobicContact CG2-CB 4.2Å; T472-D483 PolarHBondContact OG1-N 2.95Å; T472-D483 PolarHBondContact OG1-OD2 3.18Å; T472-H523 CarbonylContact O-C 3.49Å; T472-H523 WeakPolarHBondContact O-CA 3.4Å; T472-F524 PolarHBondContact O-N 3.04Å; T472-L526 HydrophobicContact CG2-CD1 3.76Å; T472-L526 HydrophobicContact CG2-CG 4.49Å
473	N	98.7	Very high	94.1	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.8	164.1	-178.6	-83.8	0	0	0	110.2	F478 K479 G480 I482 D522 H523	N473-F478 HydrophobicContact CB-CD1 4.39Å; N473-F478 HydrophobicContact CB-CE1 4.24Å; N473-F478 WeakPolarHBondContact OD1-CD1 3.43Å; N473-K479 WeakPolarHBondContact O-CA 3.46Å; N473-G480 PolarHBondContact N-O 3.28Å; N473-G480 VanDerWaalsContact N-O 3.08Å; N473-G480 PolarHBondContact O-N 3.29Å; N473-G480 VanDerWaalsContact O-N 3.15Å; N473-I482 HydrophobicContact CB-CD1 3.66Å; N473-I482 HydrophobicContact CB-CG1 3.85Å; N473-D522 WeakPolarHBondContact CA-O 3.34Å; N473-D522 PolarHBondContact ND2-OD2 3.07Å; N473-H523 PolarHBondContact ND2-CD2 2.77Å; N473-H523 PolarHBondContact ND2-NE2 3.14Å
474	Y	98.4	Very high	94.2	Very high	22 Å²	22	44.5 Å²	44.5	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	86.8	-176.7	-170.5	-90.1	0	0	0	110.3	Y471 K479 L506 I511 C514 D522 F524	Y471-Y474 AromaticContact CD1-CD2 3.99Å; Y471-Y474 HydrophobicContact CD1-CD2 3.99Å; Y471-Y474 HydrophobicContact CD1-CE2 4.35Å; Y471-Y474 AromaticContact CD2-CD2 3.6Å; Y471-Y474 HydrophobicContact CD2-CD2 3.6Å; Y471-Y474 HydrophobicContact CD2-CE2 4.47Å; Y471-Y474 HydrophobicContact CD2-CG 4.27Å; Y471-Y474 AromaticContact CE1-CD2 3.87Å; Y471-Y474 HydrophobicContact CE1-CD2 3.87Å; Y471-Y474 AromaticContact CE1-CE2 3.84Å; Y471-Y474 HydrophobicContact CE1-CE2 3.84Å; Y471-Y474 AromaticContact CE2-CD2 3.47Å; Y471-Y474 HydrophobicContact CE2-CD2 3.47Å; Y471-Y474 VanDerWaalsContact CE2-CD2 3.47Å; Y471-Y474 AromaticContact CE2-CE2 3.99Å; Y471-Y474 HydrophobicContact CE2-CE2 3.99Å; Y471-Y474 HydrophobicContact CE2-CG 4.23Å; Y471-Y474 AromaticContact CG-CD2 3.87Å; Y471-Y474 HydrophobicContact CG-CD2 3.87Å; Y471-Y474 AromaticContact CZ-CD2 3.61Å; Y471-Y474 AromaticContact CZ-CE2 3.65Å; Y474-K479 HydrophobicContact CD2-CB 4.43Å; Y474-K479 HydrophobicContact CD2-CD 3.8Å; Y474-K479 HydrophobicContact CD2-CG 3.77Å; Y474-K479 HydrophobicContact CE2-CD 3.51Å; Y474-K479 HydrophobicContact CE2-CG 4.03Å; Y474-K479 HydrophobicContact CG-CG 4.34Å; Y474-L506 HydrophobicContact CE2-CD1 4.41Å; Y474-I511 HydrophobicContact CE1-CG2 4.49Å; Y474-I511 PolarHBondContact OH-O 3.21Å; Y474-I511 VanDerWaalsContact OH-O 3.06Å; Y474-C514 HydrophobicContact CD1-CB 4.49Å; Y474-C514 WeakPolarHBondContact O-CA 3.03Å; Y474-C514 WeakPolarHBondContact O-CB 3.34Å; Y474-C514 PolarHBondContact O-N 3.4Å; Y474-D522 PolarHBondContact N-O 3.04Å; Y474-F524 HydrophobicContact CG-CE2 4.11Å
475	T	98.2	Very high	94.3	Very high	19 Å²	19	43.7 Å²	43.7	12%	0.117	23%	0.231	C	C	.	.			trans	-107.8	174	170.6	65.1	0	0	0	0	110.3	Y202 Y204 F478 K479 D522	Y202-T475 HydrophobicContact CE1-CG2 4.04Å; Y204-T475 WeakPolarHBondContact OH-CA 3.37Å; Y204-T475 WeakPolarHBondContact OH-CB 3.2Å; T475-F478 CarbonylContact C-O 3.42Å; T475-F478 PolarHBondContact N-O 3.21Å; T475-F478 VanDerWaalsContact O-O 3.13Å; T475-F478 PolarHBondContact OG1-N 3.46Å; T475-F478 PolarHBondContact OG1-O 3.25Å; T475-K479 WeakPolarHBondContact O-CG 3.15Å; T475-K479 PolarHBondContact O-NZ 2.78Å; T475-D522 HydrophobicContact CG2-CB 3.8Å
476	Y	94.7	Very high	95	Very high	52 Å²	52	39.8 Å²	39.8	20%	0.204	21%	0.211	C	C	.	.	S	Bend	trans	-59.3	-51.8	173	178.5	-98.8	0	0	0	111.9	V97 F120 Q121 Y204 K479	V97-Y476 HydrophobicContact CB-CE2 4.17Å; V97-Y476 HydrophobicContact CG2-CE2 3.5Å; F120-Y476 HydrophobicContact CE1-CD2 4.15Å; F120-Y476 HydrophobicContact CE1-CE2 4.34Å; F120-Y476 HydrophobicContact CE1-CG 4.31Å; F120-Y476 HydrophobicContact CE2-CD1 4.13Å; F120-Y476 HydrophobicContact CE2-CE1 4.44Å; F120-Y476 HydrophobicContact CE2-CG 4.36Å; F120-Y476 AromaticContact CZ-CD1 3.57Å; F120-Y476 HydrophobicContact CZ-CD1 3.57Å; F120-Y476 AromaticContact CZ-CD2 3.74Å; F120-Y476 HydrophobicContact CZ-CD2 3.74Å; F120-Y476 AromaticContact CZ-CE1 3.82Å; F120-Y476 HydrophobicContact CZ-CE1 3.82Å; F120-Y476 AromaticContact CZ-CE2 3.99Å; F120-Y476 HydrophobicContact CZ-CE2 3.99Å; F120-Y476 AromaticContact CZ-CG 3.5Å; F120-Y476 HydrophobicContact CZ-CG 3.5Å; F120-Y476 AromaticContact CZ-CZ 3.99Å; Q121-Y476 VanDerWaalsContact NE2-CE1 3.26Å; Q121-Y476 PolarHBondContact OE1-OH 2.83Å; Y204-Y476 PolarHBondContact OH-N 2.84Å; Y476-K479 PolarHBondContact O-NZ 2.81Å; Y476-K479 VanDerWaalsContact O-NZ 3.16Å
477	D	94.3	Very high	96.2	Very high	133 Å²	133	35.9 Å²	35.9	71%	0.711	18%	0.182	S	C	*	.	S	Bend	trans	-79.4	-26.7	-173.2	-64.7	-47.7	0	0	0	113.5
478	F	97.5	Very high	97	Very high	78 Å²	78	28.7 Å²	28.7	34%	0.342	15%	0.145	S	C	.	.			trans	-138.5	134.4	-176.8	177.2	-98.2	0	0	0	112.1	L408 N473 T475 I482	L408-F478 HydrophobicContact CD2-CE2 4.3Å; L408-F478 HydrophobicContact CD2-CZ 3.92Å; N473-F478 HydrophobicContact CB-CD1 4.39Å; N473-F478 HydrophobicContact CB-CE1 4.24Å; N473-F478 WeakPolarHBondContact OD1-CD1 3.43Å; T475-F478 CarbonylContact C-O 3.42Å; T475-F478 PolarHBondContact N-O 3.21Å; T475-F478 VanDerWaalsContact O-O 3.13Å; T475-F478 PolarHBondContact OG1-N 3.46Å; T475-F478 PolarHBondContact OG1-O 3.25Å; F478-I482 HydrophobicContact CE1-CD1 4.15Å; F478-I482 HydrophobicContact CE1-CG2 4.03Å; F478-I482 HydrophobicContact CZ-CG2 3.84Å
479	K	97.7	Very high	97.1	Very high	84 Å²	84	32 Å²	32	37%	0.365	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.6	173.5	-62.3	171	177	61.5	0	107.7	N473 Y474 T475 Y476 T512	N473-K479 WeakPolarHBondContact O-CA 3.46Å; Y474-K479 HydrophobicContact CD2-CB 4.43Å; Y474-K479 HydrophobicContact CD2-CD 3.8Å; Y474-K479 HydrophobicContact CD2-CG 3.77Å; Y474-K479 HydrophobicContact CE2-CD 3.51Å; Y474-K479 HydrophobicContact CE2-CG 4.03Å; Y474-K479 HydrophobicContact CG-CG 4.34Å; T475-K479 WeakPolarHBondContact O-CG 3.15Å; T475-K479 PolarHBondContact O-NZ 2.78Å; Y476-K479 PolarHBondContact O-NZ 2.81Å; Y476-K479 VanDerWaalsContact O-NZ 3.16Å; K479-T512 WeakPolarHBondContact CE-O 3.18Å; K479-T512 PolarHBondContact NZ-O 3.18Å
480	G	97.2	Very high	97	Very high	4 Å²	4	35.2 Å²	35.2	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	164.4	-177.2	0	0	0	0	0	113.5	T472 N473	T472-G480 PolarHBondContact N-O 2.78Å; T472-G480 PolarHBondContact OG1-O 3.35Å; N473-G480 PolarHBondContact N-O 3.28Å; N473-G480 VanDerWaalsContact N-O 3.08Å; N473-G480 PolarHBondContact O-N 3.29Å; N473-G480 VanDerWaalsContact O-N 3.15Å
481	V	98.3	Very high	96.9	Very high	23 Å²	23	32.9 Å²	32.9	14%	0.139	16%	0.16	C	C	.	.			trans	-85.4	111.5	173.6	-180	0	0	0	0	107.9	P409 M469 T472 Y484	P409-V481 HydrophobicContact CG-CB 3.97Å; P409-V481 HydrophobicContact CG-CG1 4.3Å; M469-V481 VanDerWaalsContact O-CG2 3.3Å; M469-V481 WeakPolarHBondContact O-CG2 3.28Å; T472-V481 HydrophobicContact CG2-CB 4.39Å; T472-V481 HydrophobicContact CG2-CG1 3.94Å; T472-V481 HydrophobicContact CG2-CG2 4.42Å; V481-Y484 HydrophobicContact CG1-CE1 3.86Å; V481-Y484 PolarHBondContact O-OH 2.9Å
482	I	98.6	Very high	96.8	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	16%	0.155	C	C	.	.			trans	-130.9	-6.8	177.3	59.3	170.9	0	0	0	113.1	L405 L408 T472 N473 F478 Y484	L405-I482 PolarHBondContact N-O 3.49Å; L408-I482 HydrophobicContact CD2-CG2 4.3Å; T472-I482 PolarHBondContact OG1-N 3.04Å; N473-I482 HydrophobicContact CB-CD1 3.66Å; N473-I482 HydrophobicContact CB-CG1 3.85Å; F478-I482 HydrophobicContact CE1-CD1 4.15Å; F478-I482 HydrophobicContact CE1-CG2 4.03Å; F478-I482 HydrophobicContact CZ-CG2 3.84Å; I482-Y484 WeakPolarHBondContact O-CD2 3.16Å; I482-Y484 WeakPolarHBondContact O-CE2 3.21Å
483	D	98.8	Very high	96.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.5	176.7	-53.1	-84.9	0	0	0	110.2	A403 T472 H523 L526	A403-D483 WeakPolarHBondContact O-CA 3.49Å; T472-D483 WeakPolarHBondContact CB-OD2 3.4Å; T472-D483 HydrophobicContact CG2-CB 4.2Å; T472-D483 PolarHBondContact OG1-N 2.95Å; T472-D483 PolarHBondContact OG1-OD2 3.18Å; D483-H523 VanDerWaalsContact CG-ND1 3.34Å; D483-H523 IonicContact OD1-CE1 3.88Å; D483-H523 IonicContact OD1-ND1 3.71Å; D483-H523 PolarHBondContact OD1-ND1 3.42Å; D483-H523 IonicContact OD2-CE1 3.74Å; D483-H523 IonicContact OD2-CG 2.59Å; D483-H523 IonicContact OD2-ND1 3.46Å; D483-H523 PolarHBondContact OD2-ND1 2.79Å; D483-L526 HydrophobicContact CB-CD1 3.72Å; D483-L526 HydrophobicContact CB-CD2 4.47Å; D483-L526 WeakPolarHBondContact O-CD2 3.41Å
484	Y	98.8	Very high	96.5	Very high	9 Å²	9	33 Å²	33	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.1	-172.8	-59.1	-94.8	0	0	0	112.6	C402 A403 L405 S407 P409 V414 V481 I482 F486	C402-Y484 WeakPolarHBondContact CA-O 3.48Å; A403-Y484 PolarHBondContact N-O 2.85Å; A403-Y484 PolarHBondContact O-N 3.46Å; L405-Y484 HydrophobicContact CB-CD2 4.11Å; L405-Y484 HydrophobicContact CB-CE2 4.17Å; L405-Y484 HydrophobicContact CD1-CD2 3.41Å; L405-Y484 VanDerWaalsContact CD1-CD2 3.41Å; L405-Y484 HydrophobicContact CD1-CE2 3.86Å; L405-Y484 HydrophobicContact CD1-CG 4.05Å; L405-Y484 HydrophobicContact CG-CD2 3.84Å; L405-Y484 HydrophobicContact CG-CE2 4.34Å; S407-Y484 VanDerWaalsContact O-CE2 3.31Å; S407-Y484 WeakPolarHBondContact O-CE2 3.44Å; S407-Y484 PolarHBondContact O-OH 2.88Å; P409-Y484 WeakPolarHBondContact CD-OH 3.48Å; V414-Y484 HydrophobicContact CG2-CE1 4.05Å; V414-Y484 HydrophobicContact CG2-CE2 4.17Å; V481-Y484 HydrophobicContact CG1-CE1 3.86Å; V481-Y484 PolarHBondContact O-OH 2.9Å; I482-Y484 WeakPolarHBondContact O-CD2 3.16Å; I482-Y484 WeakPolarHBondContact O-CE2 3.21Å; Y484-F486 AromaticContact CD1-CE2 3.81Å; Y484-F486 HydrophobicContact CD1-CE2 3.81Å; Y484-F486 HydrophobicContact CD1-CZ 4.34Å; Y484-F486 HydrophobicContact CG-CD2 4.4Å; Y484-F486 AromaticContact CG-CE2 3.78Å; Y484-F486 HydrophobicContact CG-CE2 3.78Å
485	I	98.8	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	103.8	161.9	-59	176.2	0	0	0	106.9	V186 C188 V400 L401 S462 A463 L526 A528	V186-I485 HydrophobicContact CG1-CD1 4.33Å; V186-I485 HydrophobicContact CG1-CG2 4.25Å; V186-I485 WeakPolarHBondContact O-CD1 3.28Å; C188-I485 HydrophobicContact CB-CD1 4.01Å; C188-I485 HydrophobicContact CB-CG1 3.64Å; V400-I485 HydrophobicContact CG1-CG2 4.27Å; L401-I485 CarbonylContact O-C 3.12Å; S462-I485 CarbonylContact C-O 3.5Å; A463-I485 HydrophobicContact CB-CB 4.15Å; A463-I485 HydrophobicContact CB-CG2 4.26Å; A463-I485 WeakPolarHBondContact CB-O 3.33Å; A463-I485 PolarHBondContact N-O 2.94Å; I485-L526 HydrophobicContact CD1-CB 3.74Å; I485-L526 HydrophobicContact CG1-CB 4.11Å; I485-L526 HydrophobicContact CG1-CD2 4.23Å; I485-A528 HydrophobicContact CD1-CB 4.15Å
486	F	98.7	Very high	96.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146	171.1	-81.4	-88.8	0	0	0	110.8	V400 L401 L405 V414 L417 L460 K461 Y484	V400-F486 CarbonylContact C-O 3.56Å; V400-F486 WeakPolarHBondContact CA-O 3.47Å; L401-F486 HydrophobicContact CB-CB 4.09Å; L401-F486 HydrophobicContact CD2-CB 4.47Å; L401-F486 PolarHBondContact N-O 3.29Å; L401-F486 PolarHBondContact O-N 3.08Å; L405-F486 HydrophobicContact CD1-CE2 4.39Å; V414-F486 HydrophobicContact CG1-CZ 4.4Å; L417-F486 HydrophobicContact CB-CD1 4.39Å; L417-F486 HydrophobicContact CB-CE1 3.93Å; L417-F486 HydrophobicContact CB-CE2 4.31Å; L417-F486 HydrophobicContact CB-CZ 3.89Å; L417-F486 HydrophobicContact CD1-CD2 4.08Å; L417-F486 HydrophobicContact CD1-CE2 3.71Å; L417-F486 HydrophobicContact CD1-CZ 4.1Å; L460-F486 HydrophobicContact CB-CB 4.25Å; L460-F486 HydrophobicContact CB-CD1 3.76Å; L460-F486 HydrophobicContact CB-CG 4.39Å; L460-F486 HydrophobicContact CD1-CB 4.33Å; K461-F486 VanDerWaalsContact C-CD1 3.47Å; K461-F486 CarbonylContact O-C 3.58Å; K461-F486 WeakPolarHBondContact O-CA 3.38Å; Y484-F486 AromaticContact CD1-CE2 3.81Å; Y484-F486 HydrophobicContact CD1-CE2 3.81Å; Y484-F486 HydrophobicContact CD1-CZ 4.34Å; Y484-F486 HydrophobicContact CG-CD2 4.4Å; Y484-F486 AromaticContact CG-CE2 3.78Å; Y484-F486 HydrophobicContact CG-CE2 3.78Å
487	F	98.1	Very high	96.5	Very high	5 Å²	5	29 Å²	29	2%	0.022	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153	175.2	65.7	-91.1	0	0	0	111.7	I399 L460 K461 A463 K489 M492 A494 L530	I399-F487 CarbonylContact O-C 3.29Å; I399-F487 WeakPolarHBondContact O-CA 3.27Å; L460-F487 CarbonylContact C-O 3.55Å; L460-F487 WeakPolarHBondContact CA-O 3.29Å; K461-F487 HydrophobicContact CB-CE1 4.34Å; K461-F487 HydrophobicContact CB-CE2 4.36Å; K461-F487 HydrophobicContact CB-CZ 4.07Å; K461-F487 HydrophobicContact CD-CZ 4.16Å; K461-F487 HydrophobicContact CG-CZ 4.38Å; K461-F487 PolarHBondContact N-O 3.4Å; K461-F487 VanDerWaalsContact O-CD1 3.25Å; K461-F487 WeakPolarHBondContact O-CD1 3.46Å; K461-F487 WeakPolarHBondContact O-CE1 3.26Å; K461-F487 PolarHBondContact O-N 2.82Å; A463-F487 HydrophobicContact CB-CD1 4.25Å; A463-F487 HydrophobicContact CB-CE1 4.19Å; F487-K489 HydrophobicContact CE2-CB 4.39Å; F487-K489 PolarHBondContact O-N 3.24Å; F487-K489 VanDerWaalsContact O-N 3.11Å; F487-M492 HydrophobicContact CB-CE 3.72Å; F487-M492 HydrophobicContact CB-SD 4.42Å; F487-M492 HydrophobicContact CD2-CB 3.71Å; F487-M492 HydrophobicContact CE2-CB 4.34Å; F487-M492 WeakPolarHBondContact CE2-O 3.45Å; F487-M492 HydrophobicContact CG-CB 4.43Å; F487-A494 HydrophobicContact CE1-CB 3.99Å; F487-A494 HydrophobicContact CZ-CB 4.11Å; F487-L530 HydrophobicContact CB-CD1 4.01Å; F487-L530 HydrophobicContact CD1-CD2 3.85Å; F487-L530 HydrophobicContact CE1-CD2 4.25Å; F487-L530 HydrophobicContact CG-CD1 4.48Å; F487-L530 HydrophobicContact CG-CD2 4.16Å
488	S	95.9	Very high	96.6	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	106.1	172.3	-63.7	0	0	0	0	111.8	I399 T490 H491 M492	I399-S488 WeakPolarHBondContact CG2-OG 3.39Å; I399-S488 PolarHBondContact N-OG 3.4Å; I399-S488 PolarHBondContact O-N 3.11Å; S488-T490 PolarHBondContact O-N 3.41Å; S488-T490 VanDerWaalsContact O-N 3.17Å; S488-H491 PolarHBondContact O-N 2.82Å; S488-H491 VanDerWaalsContact O-N 3.09Å; S488-M492 PolarHBondContact O-N 3.38Å
489	K	94	Very high	96.7	Very high	106 Å²	106	20 Å²	20	46%	0.461	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16	-174.3	79.4	-162.6	177.4	-172.9	0	114.5	Q459 K461 F487	Q459-K489 HydrophobicContact CB-CG 4.34Å; Q459-K489 VanDerWaalsContact O-CG 3.25Å; Q459-K489 WeakPolarHBondContact O-CG 3.31Å; Q459-K489 PolarHBondContact O-N 2.67Å; K461-K489 HydrophobicContact CB-CB 3.93Å; K461-K489 HydrophobicContact CB-CD 4.39Å; F487-K489 HydrophobicContact CE2-CB 4.39Å; F487-K489 PolarHBondContact O-N 3.24Å; F487-K489 VanDerWaalsContact O-N 3.11Å
490	T	91.9	Very high	96.6	Very high	73 Å²	73	17.6 Å²	17.6	45%	0.448	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.1	174.9	45.9	0	0	0	0	113.1	Q459 S488	Q459-T490 HydrophobicContact CB-CG2 4.22Å; Q459-T490 HydrophobicContact CG-CG2 4.5Å; S488-T490 PolarHBondContact O-N 3.41Å; S488-T490 VanDerWaalsContact O-N 3.17Å
491	H	91.4	Very high	96.5	Very high	27 Å²	27	17.8 Å²	17.8	13%	0.125	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-29	-175.2	-61.2	81	0	0	0	112.3	S395 P398 S488 L532 H533	S395-H491 PolarHBondContact O-CE1 3.02Å; S395-H491 PolarHBondContact O-NE2 3.3Å; P398-H491 HydrophobicContact CB-CB 3.75Å; S488-H491 PolarHBondContact O-N 2.82Å; S488-H491 VanDerWaalsContact O-N 3.09Å; H491-L532 HydrophobicContact CB-CD1 4.17Å; H491-H533 WeakPolarHBondContact O-CB 3.41Å; H491-H533 PolarHBondContact O-N 2.65Å; H491-H533 PolarHBondContact O-ND1 2.87Å
492	M	94.5	Very high	96.4	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.2	-172.6	-67.5	174.6	-74.8	0	0	112.1	F184 L346 P398 I399 V400 F487 S488 L530 E531 L532	F184-M492 HydrophobicContact CZ-SD 4.01Å; L346-M492 HydrophobicContact CD1-CE 4.47Å; L346-M492 HydrophobicContact CD1-SD 4.32Å; P398-M492 HydrophobicContact CB-CE 3.95Å; I399-M492 WeakPolarHBondContact O-CE 3.18Å; V400-M492 HydrophobicContact CG2-CE 3.81Å; V400-M492 HydrophobicContact CG2-SD 3.88Å; F487-M492 HydrophobicContact CB-CE 3.72Å; F487-M492 HydrophobicContact CB-SD 4.42Å; F487-M492 HydrophobicContact CD2-CB 3.71Å; F487-M492 HydrophobicContact CE2-CB 4.34Å; F487-M492 WeakPolarHBondContact CE2-O 3.45Å; F487-M492 HydrophobicContact CG-CB 4.43Å; S488-M492 PolarHBondContact O-N 3.38Å; M492-L530 HydrophobicContact SD-CD1 4.14Å; M492-E531 CarbonylContact C-O 3.55Å; M492-E531 WeakPolarHBondContact CA-O 3.48Å; M492-L532 HydrophobicContact CG-CB 4.1Å; M492-L532 HydrophobicContact CG-CD1 3.72Å; M492-L532 HydrophobicContact SD-CD1 4.41Å
493	S	94.6	Very high	96.1	Very high	25 Å²	25	23.9 Å²	23.9	18%	0.175	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.9	164.8	59.9	0	0	0	0	110.7	K173 E531	K173-S493 PolarHBondContact NZ-OG 3.4Å; K173-S493 VanDerWaalsContact NZ-OG 3.13Å; S493-E531 PolarHBondContact N-O 3.38Å; S493-E531 PolarHBondContact O-N 2.92Å
494	A	95.7	Very high	95.9	Very high	16 Å²	16	28.4 Å²	28.4	13%	0.132	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.2	171.2	0	0	0	0	0	110.1	L172 F487 L530	L172-A494 HydrophobicContact CD1-CB 4.04Å; F487-A494 HydrophobicContact CE1-CB 3.99Å; F487-A494 HydrophobicContact CZ-CB 4.11Å; A494-L530 HydrophobicContact CB-CD2 4.12Å
495	V	95.3	Very high	95.7	Very high	8 Å²	8	29 Å²	29	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-39	-179.1	-179.1	0	0	0	0	110.7	L172 K173 Q529 E531	L172-V495 PolarHBondContact N-O 3.49Å; K173-V495 PolarHBondContact N-O 3.31Å; K173-V495 VanDerWaalsContact N-O 3.08Å; K173-V495 WeakPolarHBondContact O-CG1 3.39Å; V495-Q529 HydrophobicContact CB-CB 4.4Å; V495-Q529 HydrophobicContact CB-CG 4.22Å; V495-Q529 PolarHBondContact N-O 3.46Å; V495-E531 HydrophobicContact CG2-CB 3.61Å
496	G	97.1	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	164.3	178.3	0	0	0	0	0	111.7	W169 I170 Q529	W169-G496 VanDerWaalsContact CZ2-C 3.4Å; I170-G496 CarbonylContact O-C 3.56Å; I170-G496 WeakPolarHBondContact O-CA 3.35Å; G496-Q529 PolarHBondContact O-N 2.7Å
497	V	98.4	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.5	-179.3	-64.6	0	0	0	0	110.9	I170 L172 A463 Y464 L468 G499 L527 A528	I170-V497 HydrophobicContact CB-CG2 4.13Å; I170-V497 PolarHBondContact N-O 3.12Å; I170-V497 PolarHBondContact O-N 3.04Å; L172-V497 HydrophobicContact CD1-CG1 4.01Å; L172-V497 HydrophobicContact CD1-CG2 4.35Å; A463-V497 HydrophobicContact CB-CG1 4.48Å; Y464-V497 HydrophobicContact CD1-CB 4.45Å; Y464-V497 HydrophobicContact CD1-CG2 4.37Å; Y464-V497 HydrophobicContact CD2-CG1 4.32Å; Y464-V497 HydrophobicContact CE1-CB 3.82Å; Y464-V497 HydrophobicContact CE1-CG1 4.37Å; Y464-V497 HydrophobicContact CE1-CG2 4.01Å; Y464-V497 HydrophobicContact CE2-CB 4.14Å; Y464-V497 HydrophobicContact CE2-CG1 3.96Å; L468-V497 HydrophobicContact CD1-CG2 4.02Å; V497-G499 PolarHBondContact O-N 3.07Å; V497-L527 CarbonylContact C-O 3.48Å; V497-L527 VanDerWaalsContact CA-O 3.3Å; V497-L527 WeakPolarHBondContact CA-O 3.46Å; V497-A528 HydrophobicContact CG1-CB 3.98Å
498	L	98.4	Very high	94.7	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.2	171.6	-172.7	64.6	0	0	0	110.1	R167 W169 Y464 L527	R167-L498 HydrophobicContact CB-CD1 3.69Å; R167-L498 HydrophobicContact CB-CD2 4.34Å; R167-L498 HydrophobicContact CB-CG 3.91Å; R167-L498 PolarHBondContact NH2-O 3.4Å; W169-L498 HydrophobicContact CE3-CB 4.38Å; W169-L498 HydrophobicContact CZ3-CB 4.44Å; Y464-L498 WeakPolarHBondContact CE1-O 3.41Å; Y464-L498 PolarHBondContact OH-N 2.88Å; Y464-L498 PolarHBondContact OH-O 3.06Å; Y464-L498 VanDerWaalsContact OH-O 3.13Å; L498-L527 HydrophobicContact CB-CB 3.75Å; L498-L527 HydrophobicContact CB-CD2 4.36Å; L498-L527 HydrophobicContact CB-CG 4.48Å; L498-L527 HydrophobicContact CD2-CB 4.12Å; L498-L527 HydrophobicContact CD2-CD2 4.26Å; L498-L527 PolarHBondContact N-O 2.89Å
499	G	97.8	Very high	94.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.			trans	-66	176.6	179.8	0	0	0	0	0	113.9	R167 P168 V497	R167-G499 PolarHBondContact NE-O 3.36Å; R167-G499 PolarHBondContact NH2-O 3.07Å; R167-G499 VanDerWaalsContact NH2-O 3.07Å; P168-G499 WeakPolarHBondContact O-CA 3.09Å; P168-G499 PolarHBondContact O-N 3.21Å; V497-G499 PolarHBondContact O-N 3.07Å
500	P	96.9	Very high	94.2	Very high	35 Å²	35	37.8 Å²	37.8	23%	0.227	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-70.1	160.4	-178.8	31	-34.5	0	0	0	111.2	P168 L468 M469	P168-P500 WeakPolarHBondContact CD-O 3.42Å; L468-P500 WeakPolarHBondContact O-CD 3.41Å; M469-P500 HydrophobicContact CG-CB 4.37Å
501	L	95.5	Very high	94.2	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-60.8	145.4	162	-175	65.5	0	0	0	109.2	L164 P165 R167 S503 W505 L506 I519 F524	L164-L501 HydrophobicContact CD1-CD1 3.92Å; L164-L501 HydrophobicContact CD1-CD2 4.04Å; L164-L501 HydrophobicContact CG-CD1 4.33Å; P165-L501 HydrophobicContact CG-CD1 3.84Å; R167-L501 HydrophobicContact CG-CB 4.44Å; R167-L501 HydrophobicContact CG-CD1 4.4Å; L501-S503 PolarHBondContact O-N 3.12Å; L501-S503 VanDerWaalsContact O-N 3.09Å; L501-W505 HydrophobicContact CD2-CE3 4Å; L501-W505 HydrophobicContact CD2-CZ3 3.97Å; L501-W505 HydrophobicContact CG-CE3 4.43Å; L501-L506 HydrophobicContact CD2-CD2 3.89Å; L501-L506 HydrophobicContact CD2-CG 4.24Å; L501-I519 HydrophobicContact CD2-CD1 3.73Å; L501-F524 HydrophobicContact CB-CE1 4.09Å; L501-F524 HydrophobicContact CB-CZ 4.44Å; L501-F524 HydrophobicContact CD2-CE1 3.84Å; L501-F524 HydrophobicContact CD2-CZ 4.17Å
502	D	94.8	Very high	94.2	Very high	83 Å²	83	35.8 Å²	35.8	44%	0.444	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-58.9	116.5	-179.9	-179.3	8.6	0	0	0	111.1	P165 Q504 W505 L506	P165-D502 HydrophobicContact CG-CB 4.35Å; D502-Q504 PolarHBondContact O-N 2.94Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.01Å; D502-Q504 PolarHBondContact OD1-N 3.29Å; D502-W505 HydrophobicContact CB-CB 4.05Å; D502-W505 WeakPolarHBondContact O-CB 3.11Å; D502-W505 PolarHBondContact O-N 3.02Å; D502-L506 PolarHBondContact O-N 2.94Å
503	S	93.3	Very high	94.3	Very high	74 Å²	74	35.6 Å²	35.6	52%	0.517	20%	0.203	S	C	.	.	H	α-helix	trans	-63.7	-30.1	178.6	53.9	0	0	0	0	112.6	L501 L506 V507	L501-S503 PolarHBondContact O-N 3.12Å; L501-S503 VanDerWaalsContact O-N 3.09Å; S503-L506 PolarHBondContact O-N 3.14Å; S503-V507 WeakPolarHBondContact O-CG2 3.43Å; S503-V507 PolarHBondContact O-N 3.03Å; S503-V507 VanDerWaalsContact O-N 3.15Å
504	Q	94	Very high	94.4	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.453	20%	0.195	S	C	.	.	H	α-helix	trans	-69.3	-40.4	177.9	-170.3	59.6	51.4	0	0	110.4	D502 L506 V507 D508	D502-Q504 PolarHBondContact O-N 2.94Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.01Å; D502-Q504 PolarHBondContact OD1-N 3.29Å; Q504-L506 VanDerWaalsContact C-N 3.32Å; Q504-L506 PolarHBondContact O-N 2.86Å; Q504-V507 PolarHBondContact O-N 2.97Å; Q504-V507 VanDerWaalsContact O-N 3.12Å; Q504-D508 PolarHBondContact NE2-OD1 3.09Å; Q504-D508 WeakPolarHBondContact O-CB 3.42Å; Q504-D508 PolarHBondContact O-N 3.06Å
505	W	94.1	Very high	94.6	Very high	22 Å²	22	33.7 Å²	33.7	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-41	174.4	-177.3	84.6	0	0	0	112.6	L164 P165 L501 D502 V507 D508 N509 I511 H518 I519	L164-W505 HydrophobicContact CD1-CE3 4.3Å; L164-W505 HydrophobicContact CD1-CH2 3.47Å; L164-W505 VanDerWaalsContact CD1-CH2 3.47Å; L164-W505 HydrophobicContact CD1-CZ2 4.06Å; L164-W505 HydrophobicContact CD1-CZ3 3.61Å; P165-W505 HydrophobicContact CG-CB 3.93Å; P165-W505 HydrophobicContact CG-CD2 3.97Å; P165-W505 HydrophobicContact CG-CG 3.65Å; L501-W505 HydrophobicContact CD2-CE3 4Å; L501-W505 HydrophobicContact CD2-CZ3 3.97Å; L501-W505 HydrophobicContact CG-CE3 4.43Å; D502-W505 HydrophobicContact CB-CB 4.05Å; D502-W505 WeakPolarHBondContact O-CB 3.11Å; D502-W505 PolarHBondContact O-N 3.02Å; W505-V507 PolarHBondContact O-N 3.16Å; W505-D508 PolarHBondContact O-N 3.49Å; W505-N509 PolarHBondContact NE1-ND2 3.32Å; W505-N509 WeakPolarHBondContact O-CB 3.42Å; W505-N509 PolarHBondContact O-N 3.34Å; W505-N509 PolarHBondContact O-ND2 3.1Å; W505-I511 HydrophobicContact CE3-CD1 4.2Å; W505-I511 HydrophobicContact CH2-CD1 3.6Å; W505-I511 HydrophobicContact CZ3-CD1 3.38Å; W505-H518 HydrophobicContact CH2-CB 4.33Å; W505-I519 HydrophobicContact CZ3-CD1 4.25Å
506	L	93.6	Very high	94.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-43.4	173.9	-69	172.6	0	0	0	111.9	Y471 Y474 L501 D502 S503 Q504 N510 I511 I519	Y471-L506 WeakPolarHBondContact OH-CD1 3.34Å; Y474-L506 HydrophobicContact CE2-CD1 4.41Å; L501-L506 HydrophobicContact CD2-CD2 3.89Å; L501-L506 HydrophobicContact CD2-CG 4.24Å; D502-L506 PolarHBondContact O-N 2.94Å; S503-L506 PolarHBondContact O-N 3.14Å; Q504-L506 VanDerWaalsContact C-N 3.32Å; Q504-L506 PolarHBondContact O-N 2.86Å; L506-N510 PolarHBondContact O-N 2.86Å; L506-N510 VanDerWaalsContact O-N 3.16Å; L506-I511 HydrophobicContact CD2-CB 3.86Å; L506-I511 HydrophobicContact CD2-CD1 4.07Å; L506-I511 HydrophobicContact CD2-CG2 3.78Å; L506-I511 PolarHBondContact O-N 2.84Å; L506-I519 HydrophobicContact CD2-CD1 4.07Å
507	V	90.9	Very high	94.6	Very high	95 Å²	95	35.6 Å²	35.6	58%	0.576	20%	0.198	S	C	*	.	H	α-helix	trans	-65.6	-48.8	178.1	170.7	0	0	0	0	111.1	S503 Q504 W505 N509 N510	S503-V507 WeakPolarHBondContact O-CG2 3.43Å; S503-V507 PolarHBondContact O-N 3.03Å; S503-V507 VanDerWaalsContact O-N 3.15Å; Q504-V507 PolarHBondContact O-N 2.97Å; Q504-V507 VanDerWaalsContact O-N 3.12Å; W505-V507 PolarHBondContact O-N 3.16Å; V507-N509 PolarHBondContact O-N 2.92Å; V507-N510 PolarHBondContact O-N 3.37Å
508	D	90.6	Very high	94.4	Very high	105 Å²	105	37.9 Å²	37.9	56%	0.561	21%	0.208	S	C	*	.	H	α-helix	trans	-61.4	-34.1	-178.7	-67.6	-14	0	0	0	111.4	Q504 W505	Q504-D508 PolarHBondContact NE2-OD1 3.09Å; Q504-D508 WeakPolarHBondContact O-CB 3.42Å; Q504-D508 PolarHBondContact O-N 3.06Å; W505-D508 PolarHBondContact O-N 3.49Å
509	N	89.9	Confident	94.4	Very high	25 Å²	25	37.2 Å²	37.2	13%	0.134	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.7	176.9	-79.3	-88.6	0	0	0	114.4	E162 W505 V507 I511	E162-N509 PolarHBondContact OE2-ND2 3.48Å; E162-N509 PolarHBondContact OE2-OD1 3.24Å; E162-N509 VanDerWaalsContact OE2-OD1 3.09Å; W505-N509 PolarHBondContact NE1-ND2 3.32Å; W505-N509 WeakPolarHBondContact O-CB 3.42Å; W505-N509 PolarHBondContact O-N 3.34Å; W505-N509 PolarHBondContact O-ND2 3.1Å; V507-N509 PolarHBondContact O-N 2.92Å; N509-I511 HydrophobicContact CB-CD1 3.8Å; N509-I511 HydrophobicContact CB-CG1 3.84Å; N509-I511 PolarHBondContact O-N 2.77Å
510	N	88.7	Confident	94.4	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	36.5	-176.6	-54.4	-84.1	0	0	0	113.4	N95 L506 V507 T512	N95-N510 PolarHBondContact ND2-OD1 3.15Å; L506-N510 PolarHBondContact O-N 2.86Å; L506-N510 VanDerWaalsContact O-N 3.16Å; V507-N510 PolarHBondContact O-N 3.37Å; N510-T512 PolarHBondContact O-N 2.83Å
511	I	92.2	Very high	94.5	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.036	20%	0.2	C	C	.	.			trans	-86.9	105.4	178.3	-59.5	173	0	0	0	108.3	Y474 W505 L506 N509 H516	Y474-I511 HydrophobicContact CE1-CG2 4.49Å; Y474-I511 PolarHBondContact OH-O 3.21Å; Y474-I511 VanDerWaalsContact OH-O 3.06Å; W505-I511 HydrophobicContact CE3-CD1 4.2Å; W505-I511 HydrophobicContact CH2-CD1 3.6Å; W505-I511 HydrophobicContact CZ3-CD1 3.38Å; L506-I511 HydrophobicContact CD2-CB 3.86Å; L506-I511 HydrophobicContact CD2-CD1 4.07Å; L506-I511 HydrophobicContact CD2-CG2 3.78Å; L506-I511 PolarHBondContact O-N 2.84Å; N509-I511 HydrophobicContact CB-CD1 3.8Å; N509-I511 HydrophobicContact CB-CG1 3.84Å; N509-I511 PolarHBondContact O-N 2.77Å; I511-H516 HydrophobicContact CG2-CB 4.49Å
512	T	91.7	Very high	94.6	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.313	20%	0.201	S	C	.	.			trans	-98.9	-8.3	-177.5	56.5	0	0	0	0	114.1	K479 N510	K479-T512 WeakPolarHBondContact CE-O 3.18Å; K479-T512 PolarHBondContact NZ-O 3.18Å; N510-T512 PolarHBondContact O-N 2.83Å
513	G	96.1	Very high	94.8	Very high	2 Å²	2	33 Å²	33	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-169.3	158.6	179.5	0	0	0	0	0	111.4
514	C	98.3	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-117.9	156.1	176.1	-65.5	0	0	0	0	110.2	Y202 Y204 Y474 I519 S521 D522	Y202-C514 WeakPolarHBondContact CD1-O 3.33Å; Y204-C514 PolarHBondContact OH-O 3.29Å; Y474-C514 HydrophobicContact CD1-CB 4.49Å; Y474-C514 WeakPolarHBondContact O-CA 3.03Å; Y474-C514 WeakPolarHBondContact O-CB 3.34Å; Y474-C514 PolarHBondContact O-N 3.4Å; C514-I519 HydrophobicContact CB-CG2 4.18Å; C514-I519 VanDerWaalsContact SG-CD1 3.55Å; C514-S521 WeakPolarHBondContact CB-O 3.29Å; C514-D522 VanDerWaalsContact O-CB 3.27Å; C514-D522 WeakPolarHBondContact O-CB 3.39Å
515	P	98.1	Very high	95.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.138	C	C	.	.	S	Bend	cis	-65.8	160.3	3.6	-18.6	32.2	0	0	0	113.6	L192 Y202 C205 L210 I519	L192-P515 HydrophobicContact CD2-CG 3.25Å; Y202-P515 HydrophobicContact CD1-CG 4.46Å; C205-P515 WeakPolarHBondContact CB-O 3.4Å; C205-P515 PolarHBondContact SG-O 3.21Å; C205-P515 VanDerWaalsContact SG-O 3.33Å; L210-P515 HydrophobicContact CD2-CB 4.34Å; L210-P515 HydrophobicContact CD2-CG 4.12Å; P515-I519 CarbonylContact C-O 3.59Å; P515-I519 VanDerWaalsContact CA-O 3.28Å; P515-I519 WeakPolarHBondContact CA-O 3.15Å; P515-I519 WeakPolarHBondContact CB-O 3.28Å
516	H	96.9	Very high	95.5	Very high	40 Å²	40	24.6 Å²	24.6	19%	0.185	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-138.1	157.4	178.6	-177.2	-95.5	0	0	0	107.9	I511 H518 I519	I511-H516 HydrophobicContact CG2-CB 4.49Å; H516-H518 AromaticContact CE1-CD2 3.74Å; H516-H518 AromaticContact ND1-CD2 3.91Å; H516-H518 PolarHBondContact ND1-N 3.43Å; H516-H518 PolarHBondContact O-N 2.82Å; H516-I519 HydrophobicContact CB-CB 4.16Å; H516-I519 HydrophobicContact CB-CG1 4.48Å; H516-I519 PolarHBondContact N-O 3.24Å; H516-I519 CarbonylContact O-C 3.5Å; H516-I519 PolarHBondContact O-N 3.2Å
517	P	95.9	Very high	95.8	Very high	8 Å²	8	25 Å²	25	5%	0.052	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-30.3	172	-37.9	38	0	0	0	116.9	V159 P206 W208 A209 Y214	V159-P517 HydrophobicContact CG1-CB 3.92Å; V159-P517 HydrophobicContact CG2-CB 4.05Å; V159-P517 HydrophobicContact CG2-CG 3.88Å; P206-P517 HydrophobicContact CG-CG 4.13Å; W208-P517 HydrophobicContact CH2-CB 3.66Å; W208-P517 HydrophobicContact CH2-CG 3.77Å; W208-P517 HydrophobicContact CZ2-CB 4.38Å; W208-P517 HydrophobicContact CZ2-CG 4.01Å; W208-P517 HydrophobicContact CZ3-CB 4.26Å; A209-P517 HydrophobicContact CB-CB 4.42Å; A209-P517 HydrophobicContact CB-CG 3.94Å; Y214-P517 WeakPolarHBondContact CE1-O 3.41Å; Y214-P517 PolarHBondContact OH-O 3.47Å
518	H	95.1	Very high	96.1	Very high	47 Å²	47	20.5 Å²	20.5	22%	0.218	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-8.6	179	-57.2	-46.1	0	0	0	114.3	V159 H160 L164 W505 H516	V159-H518 WeakPolarHBondContact CG1-NE2 3.16Å; H160-H518 PolarHBondContact O-NE2 3.32Å; H160-H518 VanDerWaalsContact O-NE2 3.09Å; L164-H518 HydrophobicContact CD1-CB 4.48Å; W505-H518 HydrophobicContact CH2-CB 4.33Å; H516-H518 AromaticContact CE1-CD2 3.74Å; H516-H518 AromaticContact ND1-CD2 3.91Å; H516-H518 PolarHBondContact ND1-N 3.43Å; H516-H518 PolarHBondContact O-N 2.82Å
519	I	97.6	Very high	96.5	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.041	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-130.9	106.1	-175.6	-55	171.1	0	0	0	108.1	L164 L501 W505 L506 C514 P515 H516 S521 F524	L164-I519 HydrophobicContact CD1-CG1 4.23Å; L501-I519 HydrophobicContact CD2-CD1 3.73Å; W505-I519 HydrophobicContact CZ3-CD1 4.25Å; L506-I519 HydrophobicContact CD2-CD1 4.07Å; C514-I519 HydrophobicContact CB-CG2 4.18Å; C514-I519 VanDerWaalsContact SG-CD1 3.55Å; P515-I519 CarbonylContact C-O 3.59Å; P515-I519 VanDerWaalsContact CA-O 3.28Å; P515-I519 WeakPolarHBondContact CA-O 3.15Å; P515-I519 WeakPolarHBondContact CB-O 3.28Å; H516-I519 HydrophobicContact CB-CB 4.16Å; H516-I519 HydrophobicContact CB-CG1 4.48Å; H516-I519 PolarHBondContact N-O 3.24Å; H516-I519 CarbonylContact O-C 3.5Å; H516-I519 PolarHBondContact O-N 3.2Å; I519-S521 PolarHBondContact O-N 2.85Å; I519-F524 HydrophobicContact CD1-CE1 4.17Å; I519-F524 HydrophobicContact CD1-CZ 4.32Å; I519-F524 HydrophobicContact CG2-CE1 4.02Å
520	P	98.2	Very high	96.9	Very high	20 Å²	20	16.9 Å²	16.9	13%	0.13	9%	0.088	C	C	.	.			trans	-87.8	-2.2	-161.1	37.4	-41.2	0	0	0	114.9	R215 I219	R215-P520 HydrophobicContact CB-CB 4.26Å; R215-P520 WeakPolarHBondContact CD-O 3.34Å; R215-P520 PolarHBondContact NH1-O 2.93Å; R215-P520 VanDerWaalsContact NH1-O 3.1Å; I219-P520 HydrophobicContact CG1-CB 3.95Å; I219-P520 HydrophobicContact CG1-CG 3.99Å
521	S	98.8	Very high	97.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-132	158.1	174.3	-179.3	0	0	0	0	109.1	Y189 N190 C514 I519 H523	Y189-S521 WeakPolarHBondContact OH-CB 3.28Å; N190-S521 PolarHBondContact O-OG 2.89Å; C514-S521 WeakPolarHBondContact CB-O 3.29Å; I519-S521 PolarHBondContact O-N 2.85Å; S521-H523 PolarHBondContact OG-N 3.41Å; S521-H523 VanDerWaalsContact OG-N 3.1Å
522	D	98.7	Very high	97.2	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.043	7%	0.068	C	C	.	.	S	Bend	trans	-77.2	-9.6	166.5	57.6	-31	0	0	0	113.3	L192 Y202 N473 Y474 T475 C514	L192-D522 WeakPolarHBondContact CB-OD1 3.44Å; Y202-D522 HydrophobicContact CE1-CB 3.79Å; Y202-D522 VanDerWaalsContact OH-CG 3.28Å; Y202-D522 PolarHBondContact OH-OD2 3.13Å; N473-D522 WeakPolarHBondContact CA-O 3.34Å; N473-D522 PolarHBondContact ND2-OD2 3.07Å; Y474-D522 PolarHBondContact N-O 3.04Å; T475-D522 HydrophobicContact CG2-CB 3.8Å; C514-D522 VanDerWaalsContact O-CB 3.27Å; C514-D522 WeakPolarHBondContact O-CB 3.39Å
523	H	98.8	Very high	97.1	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.032	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-99.9	150.7	169.3	-64.1	-117	0	0	0	111.7	Y189 N190 D404 T472 N473 D483 S521	Y189-H523 WeakPolarHBondContact CE2-O 3.1Å; N190-H523 HydrophobicContact CB-CB 4.13Å; D404-H523 IonicContact OD2-CE1 3.12Å; D404-H523 PolarHBondContact OD2-CE1 2.85Å; D404-H523 VanDerWaalsContact OD2-CE1 3.28Å; D404-H523 IonicContact OD2-NE2 3.68Å; T472-H523 CarbonylContact O-C 3.49Å; T472-H523 WeakPolarHBondContact O-CA 3.4Å; N473-H523 PolarHBondContact ND2-CD2 2.77Å; N473-H523 PolarHBondContact ND2-NE2 3.14Å; D483-H523 VanDerWaalsContact CG-ND1 3.34Å; D483-H523 IonicContact OD1-CE1 3.88Å; D483-H523 IonicContact OD1-ND1 3.71Å; D483-H523 PolarHBondContact OD1-ND1 3.42Å; D483-H523 IonicContact OD2-CE1 3.74Å; D483-H523 IonicContact OD2-CG 2.59Å; D483-H523 IonicContact OD2-ND1 3.46Å; D483-H523 PolarHBondContact OD2-ND1 2.79Å; S521-H523 PolarHBondContact OG-N 3.41Å; S521-H523 VanDerWaalsContact OG-N 3.1Å
524	F	98.6	Very high	96	Very high	15 Å²	15	15.3 Å²	15.3	7%	0.066	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-96.1	139.2	165	-67.5	-70.5	0	0	0	109.5	M469 Y471 T472 Y474 L501 I519	M469-F524 HydrophobicContact CE-CB 4.05Å; Y471-F524 AromaticContact CD2-CD2 3.96Å; Y471-F524 HydrophobicContact CD2-CD2 3.96Å; Y471-F524 AromaticContact CD2-CE2 3.81Å; Y471-F524 HydrophobicContact CD2-CE2 3.81Å; Y471-F524 HydrophobicContact CE2-CD2 4.12Å; Y471-F524 AromaticContact CE2-CE2 3.6Å; Y471-F524 HydrophobicContact CE2-CE2 3.6Å; T472-F524 PolarHBondContact O-N 3.04Å; Y474-F524 HydrophobicContact CG-CE2 4.11Å; L501-F524 HydrophobicContact CB-CE1 4.09Å; L501-F524 HydrophobicContact CB-CZ 4.44Å; L501-F524 HydrophobicContact CD2-CE1 3.84Å; L501-F524 HydrophobicContact CD2-CZ 4.17Å; I519-F524 HydrophobicContact CD1-CE1 4.17Å; I519-F524 HydrophobicContact CD1-CZ 4.32Å; I519-F524 HydrophobicContact CG2-CE1 4.02Å
525	S	98.7	Very high	94.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-65.9	143.1	178.2	75.2	0	0	0	0	111.6	R167 E222	R167-S525 VanDerWaalsContact CZ-O 3.26Å; R167-S525 PolarHBondContact NH1-O 3.36Å; R167-S525 PolarHBondContact NH1-OG 2.9Å; R167-S525 PolarHBondContact NH2-O 2.66Å; E222-S525 WeakPolarHBondContact OE1-CB 3.48Å; E222-S525 PolarHBondContact OE1-OG 2.86Å
526	L	98.9	Very high	92.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.7	165.2	-75	69.4	0	0	0	107.6	M187 C188 Y464 T472 D483 I485	M187-L526 CarbonylContact C-O 3.51Å; M187-L526 WeakPolarHBondContact CA-O 3.35Å; C188-L526 HydrophobicContact CB-CB 4.28Å; C188-L526 PolarHBondContact N-O 3.03Å; C188-L526 PolarHBondContact O-N 3.36Å; Y464-L526 HydrophobicContact CD2-CD2 3.81Å; Y464-L526 HydrophobicContact CD2-CG 4.24Å; Y464-L526 HydrophobicContact CE2-CB 3.79Å; Y464-L526 HydrophobicContact CE2-CD2 3.93Å; Y464-L526 HydrophobicContact CE2-CG 3.9Å; Y464-L526 HydrophobicContact CG-CD2 4.45Å; T472-L526 HydrophobicContact CG2-CD1 3.76Å; T472-L526 HydrophobicContact CG2-CG 4.49Å; D483-L526 HydrophobicContact CB-CD1 3.72Å; D483-L526 HydrophobicContact CB-CD2 4.47Å; D483-L526 WeakPolarHBondContact O-CD2 3.41Å; I485-L526 HydrophobicContact CD1-CB 3.74Å; I485-L526 HydrophobicContact CG1-CB 4.11Å; I485-L526 HydrophobicContact CG1-CD2 4.23Å
527	L	98.8	Very high	90.2	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.063	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124	171.7	178.5	67.9	0	0	0	109.3	W169 V186 M187 C226 A228 Y464 V497 L498	W169-L527 HydrophobicContact CZ3-CD2 4.04Å; W169-L527 HydrophobicContact CZ3-CG 4.14Å; V186-L527 WeakPolarHBondContact O-CA 3.42Å; M187-L527 HydrophobicContact CB-CD1 4.21Å; C226-L527 HydrophobicContact CB-CD1 4.47Å; C226-L527 HydrophobicContact CB-CD2 4.03Å; A228-L527 HydrophobicContact CB-CD1 3.59Å; Y464-L527 PolarHBondContact OH-N 2.86Å; Y464-L527 PolarHBondContact OH-O 3.35Å; V497-L527 CarbonylContact C-O 3.48Å; V497-L527 VanDerWaalsContact CA-O 3.3Å; V497-L527 WeakPolarHBondContact CA-O 3.46Å; L498-L527 HydrophobicContact CB-CB 3.75Å; L498-L527 HydrophobicContact CB-CD2 4.36Å; L498-L527 HydrophobicContact CB-CG 4.48Å; L498-L527 HydrophobicContact CD2-CB 4.12Å; L498-L527 HydrophobicContact CD2-CD2 4.26Å; L498-L527 PolarHBondContact N-O 2.89Å
528	A	98.6	Very high	87.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.2	179.5	0	0	0	0	0	110.6	T185 V186 A463 Y464 I485 V497 L530	T185-A528 CarbonylContact C-O 3.48Å; T185-A528 VanDerWaalsContact CA-O 3.28Å; T185-A528 WeakPolarHBondContact CA-O 3.35Å; V186-A528 PolarHBondContact N-O 2.77Å; V186-A528 PolarHBondContact O-N 3.21Å; A463-A528 HydrophobicContact CB-CB 3.76Å; Y464-A528 HydrophobicContact CE2-CB 4.48Å; I485-A528 HydrophobicContact CD1-CB 4.15Å; V497-A528 HydrophobicContact CG1-CB 3.98Å; A528-L530 HydrophobicContact CB-CD2 4.42Å
529	Q	98.3	Very high	84.6	Confident	55 Å²	55	38.7 Å²	38.7	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.9	166.5	-175.3	175.1	65.6	0	0	109.1	W169 F184 T185 V495 G496	W169-Q529 HydrophobicContact CH2-CB 3.74Å; W169-Q529 HydrophobicContact CZ2-CB 3.67Å; F184-Q529 WeakPolarHBondContact O-CA 3.13Å; T185-Q529 HydrophobicContact CG2-CB 4.06Å; T185-Q529 HydrophobicContact CG2-CG 4.29Å; V495-Q529 HydrophobicContact CB-CB 4.4Å; V495-Q529 HydrophobicContact CB-CG 4.22Å; V495-Q529 PolarHBondContact N-O 3.46Å; G496-Q529 PolarHBondContact O-N 2.7Å
530	L	97.3	Very high	81.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.8	178.4	-56.6	-178.2	0	0	0	110.1	A183 F184 V186 V400 F487 M492 A494 A528	A183-L530 VanDerWaalsContact CA-O 3.29Å; A183-L530 WeakPolarHBondContact CA-O 3.38Å; F184-L530 HydrophobicContact CE1-CB 4.49Å; F184-L530 HydrophobicContact CE2-CB 4.38Å; F184-L530 HydrophobicContact CE2-CD1 4.27Å; F184-L530 HydrophobicContact CZ-CB 4.2Å; F184-L530 HydrophobicContact CZ-CD1 4.36Å; F184-L530 PolarHBondContact N-O 3.08Å; F184-L530 PolarHBondContact O-N 3.19Å; V186-L530 HydrophobicContact CG2-CD1 3.92Å; V186-L530 HydrophobicContact CG2-CG 4.4Å; V400-L530 HydrophobicContact CG1-CD1 4.44Å; V400-L530 HydrophobicContact CG2-CD1 3.69Å; F487-L530 HydrophobicContact CB-CD1 4.01Å; F487-L530 HydrophobicContact CD1-CD2 3.85Å; F487-L530 HydrophobicContact CE1-CD2 4.25Å; F487-L530 HydrophobicContact CG-CD1 4.48Å; F487-L530 HydrophobicContact CG-CD2 4.16Å; M492-L530 HydrophobicContact SD-CD1 4.14Å; A494-L530 HydrophobicContact CB-CD2 4.12Å; A528-L530 HydrophobicContact CB-CD2 4.42Å
531	E	94.7	Very high	78.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.4	174.2	179.8	170.6	-120.2	0	0	109	K173 R175 T181 M492 S493 V495 H533	K173-E531 IonicContact NZ-OE2 2.94Å; K173-E531 PolarHBondContact NZ-OE2 3.44Å; R175-E531 WeakPolarHBondContact CG-OE1 3.46Å; R175-E531 IonicContact NE-OE1 2.79Å; T181-E531 VanDerWaalsContact CB-CG 3.43Å; T181-E531 HydrophobicContact CG2-CG 3.72Å; T181-E531 WeakPolarHBondContact OG1-CG 3.39Å; T181-E531 PolarHBondContact OG1-OE1 3.09Å; M492-E531 CarbonylContact C-O 3.55Å; M492-E531 WeakPolarHBondContact CA-O 3.48Å; S493-E531 PolarHBondContact N-O 3.38Å; S493-E531 PolarHBondContact O-N 2.92Å; V495-E531 HydrophobicContact CG2-CB 3.61Å; E531-H533 PolarHBondContact O-CE1 3.34Å; E531-H533 PolarHBondContact O-ND1 3.09Å; E531-H533 IonicContact OE2-NE2 2.62Å
532	L	93.4	Very high	75.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.9	178.4	174.7	65.6	0	0	0	110.9	T181 A182 F184 V329 F334 Q344 P398 H491 M492	T181-L532 VanDerWaalsContact CA-O 3.32Å; T181-L532 WeakPolarHBondContact CA-O 3.13Å; T181-L532 WeakPolarHBondContact CB-O 3.37Å; A182-L532 HydrophobicContact CB-CB 4.48Å; A182-L532 PolarHBondContact N-O 3.5Å; A182-L532 PolarHBondContact O-N 3.49Å; F184-L532 HydrophobicContact CE1-CB 4.01Å; V329-L532 HydrophobicContact CG2-CD2 4.16Å; F334-L532 HydrophobicContact CZ-CD2 4.31Å; Q344-L532 HydrophobicContact CG-CD2 3.88Å; P398-L532 HydrophobicContact CB-CD1 3.96Å; P398-L532 HydrophobicContact CG-CD1 3.78Å; H491-L532 HydrophobicContact CB-CD1 4.17Å; M492-L532 HydrophobicContact CG-CB 4.1Å; M492-L532 HydrophobicContact CG-CD1 3.72Å; M492-L532 HydrophobicContact SD-CD1 4.41Å
533	H	88.3	Confident	72	Confident	63 Å²	63	66 Å²	66	29%	0.292	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-96	131.9	175.6	-53.3	77.2	0	0	0	108.8	T181 H491 E531	T181-H533 VanDerWaalsContact CG2-CD2 3.46Å; T181-H533 WeakPolarHBondContact CG2-CD2 3.39Å; H491-H533 WeakPolarHBondContact O-CB 3.41Å; H491-H533 PolarHBondContact O-N 2.65Å; H491-H533 PolarHBondContact O-ND1 2.87Å; E531-H533 PolarHBondContact O-CE1 3.34Å; E531-H533 PolarHBondContact O-ND1 3.09Å; E531-H533 IonicContact OE2-NE2 2.62Å
534	P	74.9	Confident	69.1	Low	35 Å²	35	73.1 Å²	73.1	23%	0.227	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-64.7	151.2	174.4	28	-33.2	0	0	0	109.8	P180 F334 P340 A536	P180-P534 HydrophobicContact CG-CG 4.34Å; P180-P534 WeakPolarHBondContact O-CD 3.36Å; P180-P534 WeakPolarHBondContact O-CG 3.48Å; F334-P534 HydrophobicContact CE1-CB 4.32Å; P340-P534 HydrophobicContact CG-CB 4.41Å; P534-A536 PolarHBondContact O-N 3.07Å
535	P	66.8	Low	66.1	Low	84 Å²	84	76 Å²	76	55%	0.545	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-56	135.4	174.2	21.4	-30.2	0	0	0	110
536	A	57.1	Low	63	Low	87 Å²	87	83.8 Å²	83.8	72%	0.719	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-59	138.5	177.4	0	0	0	0	0	109.4	P534 H538	P534-A536 PolarHBondContact O-N 3.07Å; A536-H538 PolarHBondContact O-N 3.5Å
537	P	47.8	Very low	60.2	Low	122 Å²	122	92.7 Å²	92.7	79%	0.792	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.5	127.5	174.2	22.2	-29.9	0	0	0	108.6
538	H	38.5	Very low	57.1	Low	178 Å²	178	99.3 Å²	99.3	82%	0.824	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-46.6	131.8	172.5	-81.4	-62.8	0	0	0	108.9	A536 L540	A536-H538 PolarHBondContact O-N 3.5Å; H538-L540 PolarHBondContact O-N 3.37Å
539	P	32.8	Very low	54.2	Low	116 Å²	116	104.5 Å²	104.5	75%	0.753	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-57.4	117.6	169.6	22.5	-28.5	0	0	0	106.7	N541	P539-N541 PolarHBondContact O-N 3.34Å
540	L	31.4	Very low	51.3	Low	167 Å²	167	108.6 Å²	108.6	87%	0.874	63%	0.629	S	S	*	*			trans	-43.9	120.8	168.2	-78.2	152.9	0	0	0	106.8	H538	H538-L540 PolarHBondContact O-N 3.37Å
541	N	31.1	Very low	48.6	Very low	147 Å²	147	116.9 Å²	116.9	79%	0.786	67%	0.667	S	S	*	*			trans	-39.3	127.8	171	-85.9	-26.9	0	0	0	108.3	P539 L543	P539-N541 PolarHBondContact O-N 3.34Å; N541-L543 PolarHBondContact O-N 3.05Å
542	P	32.8	Very low	46	Very low	122 Å²	122	131.5 Å²	131.5	79%	0.792	72%	0.722	S	S	*	*			trans	-55.5	117	173.7	21.5	-29.1	0	0	0	107	N544	P542-N544 PolarHBondContact O-N 3.39Å
543	L	34.9	Very low	43.7	Very low	173 Å²	173	138.1 Å²	138.1	91%	0.906	76%	0.759	S	S	*	*			trans	-41.9	127.6	176.7	-85.8	139.3	0	0	0	109.3	N541 G545	N541-L543 PolarHBondContact O-N 3.05Å; L543-G545 PolarHBondContact O-N 3.18Å
544	N	36.8	Very low	41.3	Very low	158 Å²	158	142 Å²	142	85%	0.845	78%	0.783	S	S	*	*			trans	-26.4	123.7	172.1	-76	-31.4	0	0	0	112.2	P542 L546	P542-N544 PolarHBondContact O-N 3.39Å; N544-L546 PolarHBondContact O-N 2.98Å
545	G	36.6	Very low	39.4	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	81%	0.814	S	S	*	*			trans	-48.3	110.8	175.7	0	0	0	0	0	111.1	L543 H547	L543-G545 PolarHBondContact O-N 3.18Å; G545-H547 PolarHBondContact O-N 3.24Å
546	L	34.3	Very low	37.8	Very low	164 Å²	164	151.7 Å²	151.7	86%	0.859	83%	0.83	S	S	*	*			trans	-59.5	103.1	161.1	-92.1	147.7	0	0	0	107.4	N544 L548	N544-L546 PolarHBondContact O-N 2.98Å; L546-L548 PolarHBondContact O-N 3.4Å
547	H	38.7	Very low	36.6	Very low	190 Å²	190	155.8 Å²	155.8	88%	0.88	84%	0.837	S	S	*	*			trans	-59.8	102.3	162.4	-103.6	-66.2	0	0	0	108.3	G545	G545-H547 PolarHBondContact O-N 3.24Å
548	L	34	Very low	35.9	Very low	150 Å²	150	158 Å²	158	79%	0.785	84%	0.84	S	S	*	*			trans	-77.6	124.8	161.8	-79.5	162.1	0	0	0	108	L546 V550	L546-L548 PolarHBondContact O-N 3.4Å; L548-V550 PolarHBondContact O-N 3.27Å
549	P	36.8	Very low	35.7	Very low	109 Å²	109	156.6 Å²	156.6	71%	0.708	84%	0.841	S	S	*	*			trans	-73.3	122.5	177	28	-29.3	0	0	0	109.3	H551	P549-H551 PolarHBondContact O-N 3.23Å; P549-H551 VanDerWaalsContact O-N 3.17Å
550	V	37.6	Very low	35.9	Very low	142 Å²	142	159.7 Å²	159.7	86%	0.861	85%	0.848	S	S	*	*			trans	-68	108.9	170.7	178.1	0	0	0	0	108	L548	L548-V550 PolarHBondContact O-N 3.27Å
551	H	40.4	Very low	36.3	Very low	173 Å²	173	159.1 Å²	159.1	80%	0.801	85%	0.845	S	S	*	*			trans	-83.6	115	165.7	-105.1	-66.3	0	0	0	109.3	P549	P549-H551 PolarHBondContact O-N 3.23Å; P549-H551 VanDerWaalsContact O-N 3.17Å
552	R	41.7	Very low	36.8	Very low	307 Å²	307	160.2 Å²	160.2	100%	1.158	85%	0.851	S	S	*	*			trans	32	0	158.1	-72.2	-172.4	-177.8	-178.3	1.1	120

Retrieved 552 of 552 residues in 971.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).