A0A087Y1A8_POEFO Loading...

Glutathione peroxidase

AlphaFold DB , UniProt , Accession A0A087Y1A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	50.5	Low	247 Å²	247	142.9 Å²	142.9	100%	1.217	83%	0.826	S	S	*	*				0	89.2	0	-86.2	170.3	170.6	0	0	107.2
2	E	46.6	Very low	51.4	Low	179 Å²	179	137.5 Å²	137.5	84%	0.836	80%	0.802	S	S	*	*			trans	-138.7	117.9	173.7	-84.5	179.4	131.7	0	0	107.7
3	A	45.7	Very low	52.4	Low	105 Å²	105	140.5 Å²	140.5	87%	0.868	80%	0.799	S	S	*	*			trans	-128.9	94.2	162.4	0	0	0	0	0	106.2
4	L	49	Very low	53.4	Low	161 Å²	161	133.8 Å²	133.8	84%	0.843	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-71.9	124.1	175.4	-71.5	167.8	0	0	0	109.2
5	G	45.9	Very low	54.3	Low	68 Å²	68	136.4 Å²	136.4	70%	0.701	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-62.6	132.4	-179.3	0	0	0	0	0	113.1
6	G	44.8	Very low	55.2	Low	80 Å²	80	133.2 Å²	133.2	83%	0.825	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-69.9	128.1	175.1	0	0	0	0	0	112.2
7	Y	49.3	Very low	55.9	Low	219 Å²	219	134.5 Å²	134.5	86%	0.859	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72.7	138.1	170.7	-88.7	-92.9	0	0	0	111.3	T9	Y7-T9 PolarHBondContact O-N 3.04Å
8	P	54.8	Low	56.6	Low	118 Å²	118	137.9 Å²	137.9	77%	0.766	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-76.5	123.5	177.9	27.6	-28.8	0	0	0	111.2	K10	P8-K10 PolarHBondContact O-N 3.09Å
9	T	58.7	Low	57.3	Low	139 Å²	139	136.4 Å²	136.4	85%	0.853	73%	0.729	S	S	*	*			trans	-76.6	109.5	174.9	51.3	0	0	0	0	110.1	Y7 S11	Y7-T9 PolarHBondContact O-N 3.04Å; T9-S11 PolarHBondContact O-N 3.14Å
10	K	57.9	Low	57.9	Low	180 Å²	180	139.1 Å²	139.1	78%	0.783	73%	0.729	S	S	*	*			trans	-64.2	130.8	174.5	-79.5	-177.9	177.5	174.9	0	110.7	P8 S12	P8-K10 PolarHBondContact O-N 3.09Å; K10-S12 PolarHBondContact O-N 3.3Å
11	S	59.3	Low	58.6	Low	76 Å²	76	136.3 Å²	136.3	53%	0.531	72%	0.717	S	S	.	*			trans	-56.8	114.6	-173.4	177.9	0	0	0	0	114.8	T9 K13 A14	T9-S11 PolarHBondContact O-N 3.14Å; S11-K13 VanDerWaalsContact C-N 3.25Å; S11-K13 PolarHBondContact O-N 3.42Å; S11-A14 PolarHBondContact O-N 3.44Å
12	S	61.3	Low	60	Low	78 Å²	78	130 Å²	130	55%	0.545	69%	0.688	S	S	.	*	H	α-helix	trans	-56.4	-32.6	176.5	178.6	0	0	0	0	113.6	K10 A14 R15 I16	K10-S12 PolarHBondContact O-N 3.3Å; S12-A14 VanDerWaalsContact C-N 3.3Å; S12-A14 PolarHBondContact O-N 3.28Å; S12-R15 PolarHBondContact O-N 3.29Å; S12-R15 VanDerWaalsContact O-N 3.14Å; S12-I16 WeakPolarHBondContact O-CG1 3.33Å; S12-I16 PolarHBondContact O-N 3.42Å; S12-I16 VanDerWaalsContact O-N 3.09Å
13	K	65.1	Low	61.3	Low	176 Å²	176	125.2 Å²	125.2	77%	0.765	67%	0.671	S	S	*	*	H	α-helix	trans	-61.7	-35.5	-179.7	-67.5	-177.4	179.3	179	0	112.8	S11 K17	S11-K13 VanDerWaalsContact C-N 3.25Å; S11-K13 PolarHBondContact O-N 3.42Å; K13-K17 WeakPolarHBondContact O-CB 3.48Å; K13-K17 PolarHBondContact O-N 2.91Å
14	A	65.7	Low	62.9	Low	47 Å²	47	124.1 Å²	124.1	39%	0.388	66%	0.657	S	S	.	*	H	α-helix	trans	-70.3	-35.2	177.9	0	0	0	0	0	112.1	S11 S12 R18	S11-A14 PolarHBondContact O-N 3.44Å; S12-A14 VanDerWaalsContact C-N 3.3Å; S12-A14 PolarHBondContact O-N 3.28Å; A14-R18 WeakPolarHBondContact O-CB 3.3Å; A14-R18 VanDerWaalsContact O-CG 3.29Å; A14-R18 WeakPolarHBondContact O-CG 3.48Å; A14-R18 PolarHBondContact O-N 3.04Å
15	R	67	Low	64.2	Low	173 Å²	173	122.4 Å²	122.4	65%	0.653	65%	0.646	S	S	*	*	H	α-helix	trans	-67.6	-43.3	175.4	-69	-177.5	178	170.9	-1.4	111.4	S12 R18 L19	S12-R15 PolarHBondContact O-N 3.29Å; S12-R15 VanDerWaalsContact O-N 3.14Å; R15-R18 PolarHBondContact O-N 2.87Å; R15-L19 WeakPolarHBondContact O-CB 3.31Å; R15-L19 PolarHBondContact O-N 3.37Å
16	I	69.8	Low	65.8	Low	85 Å²	85	123.3 Å²	123.3	44%	0.436	64%	0.638	S	S	.	*	H	α-helix	trans	-64.4	-41	177.1	-63.9	165.8	0	0	0	111.3	S12 L19 R20	S12-I16 WeakPolarHBondContact O-CG1 3.33Å; S12-I16 PolarHBondContact O-N 3.42Å; S12-I16 VanDerWaalsContact O-N 3.09Å; I16-L19 PolarHBondContact O-N 3.37Å; I16-R20 PolarHBondContact O-N 3.28Å
17	K	65.9	Low	67.5	Low	155 Å²	155	123.7 Å²	123.7	67%	0.674	62%	0.624	S	S	*	*	H	α-helix	trans	-64.5	-43.8	176.6	-164.1	177	-172.4	-178.1	0	111.7	K13 R20 V21	K13-K17 WeakPolarHBondContact O-CB 3.48Å; K13-K17 PolarHBondContact O-N 2.91Å; K17-R20 PolarHBondContact O-N 3.33Å; K17-V21 WeakPolarHBondContact O-CG2 3.29Å; K17-V21 PolarHBondContact O-N 3.32Å; K17-V21 VanDerWaalsContact O-N 3.07Å
18	R	68.9	Low	69	Low	196 Å²	196	115.2 Å²	115.2	74%	0.74	60%	0.604	S	S	*	*	H	α-helix	trans	-63.4	-41.4	174.8	-72.6	178.3	-172.1	-162	1.5	111.9	A14 R15 V21 L22	A14-R18 WeakPolarHBondContact O-CB 3.3Å; A14-R18 VanDerWaalsContact O-CG 3.29Å; A14-R18 WeakPolarHBondContact O-CG 3.48Å; A14-R18 PolarHBondContact O-N 3.04Å; R15-R18 PolarHBondContact O-N 2.87Å; R18-V21 PolarHBondContact O-N 2.94Å; R18-L22 WeakPolarHBondContact O-CB 3.28Å; R18-L22 PolarHBondContact O-N 3.47Å
19	L	70.4	Confident	70.2	Confident	110 Å²	110	114 Å²	114	58%	0.576	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-43.1	177.4	-172.6	65.6	0	0	0	111.9	R15 I16 V21 L22 V23	R15-L19 WeakPolarHBondContact O-CB 3.31Å; R15-L19 PolarHBondContact O-N 3.37Å; I16-L19 PolarHBondContact O-N 3.37Å; L19-V21 PolarHBondContact O-N 3.04Å; L19-L22 PolarHBondContact O-N 2.97Å; L19-V23 WeakPolarHBondContact O-CB 3.48Å; L19-V23 VanDerWaalsContact O-CG2 3.28Å; L19-V23 WeakPolarHBondContact O-CG2 3.34Å; L19-V23 PolarHBondContact O-N 2.92Å
20	R	69.8	Low	71.3	Confident	189 Å²	189	109 Å²	109	71%	0.713	57%	0.57	S	S	*	*	H	α-helix	trans	-61.5	-41.7	174.9	-80.8	-176.8	171.9	179	-2.3	112.6	I16 K17 S24	I16-R20 PolarHBondContact O-N 3.28Å; K17-R20 PolarHBondContact O-N 3.33Å; R20-S24 VanDerWaalsContact O-CB 3.31Å; R20-S24 WeakPolarHBondContact O-CB 3.48Å; R20-S24 PolarHBondContact O-N 3.48Å
21	V	71.8	Confident	72.3	Confident	81 Å²	81	103.7 Å²	103.7	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-44.5	175.5	172.5	0	0	0	0	110.4	K17 R18 L19 V23 S24 M25	K17-V21 WeakPolarHBondContact O-CG2 3.29Å; K17-V21 PolarHBondContact O-N 3.32Å; K17-V21 VanDerWaalsContact O-N 3.07Å; R18-V21 PolarHBondContact O-N 2.94Å; L19-V21 PolarHBondContact O-N 3.04Å; V21-V23 PolarHBondContact O-N 3.4Å; V21-S24 PolarHBondContact O-N 2.91Å; V21-M25 HydrophobicContact CG1-CG 4.4Å; V21-M25 HydrophobicContact CG1-SD 4.07Å; V21-M25 WeakPolarHBondContact O-CB 3.28Å; V21-M25 VanDerWaalsContact O-CG 3.28Å; V21-M25 WeakPolarHBondContact O-CG 3.49Å; V21-M25 PolarHBondContact O-N 3.01Å
22	L	72	Confident	73.2	Confident	115 Å²	115	105.3 Å²	105.3	60%	0.602	56%	0.557	S	S	*	*	H	α-helix	trans	-61.5	-46.7	179.1	-140.2	87.7	0	0	0	111.7	R18 L19 M25 T26	R18-L22 WeakPolarHBondContact O-CB 3.28Å; R18-L22 PolarHBondContact O-N 3.47Å; L19-L22 PolarHBondContact O-N 2.97Å; L22-M25 PolarHBondContact O-N 3.48Å; L22-T26 WeakPolarHBondContact O-CG2 3.49Å; L22-T26 PolarHBondContact O-N 2.89Å; L22-T26 PolarHBondContact O-OG1 3.33Å
23	V	74.6	Confident	74	Confident	78 Å²	78	108 Å²	108	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-64.7	-40.3	178	173.1	0	0	0	0	111.4	L19 V21 M25 T26 V27	L19-V23 WeakPolarHBondContact O-CB 3.48Å; L19-V23 VanDerWaalsContact O-CG2 3.28Å; L19-V23 WeakPolarHBondContact O-CG2 3.34Å; L19-V23 PolarHBondContact O-N 2.92Å; V21-V23 PolarHBondContact O-N 3.4Å; V23-M25 VanDerWaalsContact C-N 3.32Å; V23-M25 PolarHBondContact O-N 3.27Å; V23-T26 PolarHBondContact O-N 3.48Å; V23-T26 PolarHBondContact O-OG1 3.07Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.46Å; V23-V27 PolarHBondContact O-N 3.38Å
24	S	78.2	Confident	74.5	Confident	83 Å²	83	104.8 Å²	104.8	58%	0.58	55%	0.549	S	S	*	.	H	α-helix	trans	-64.9	-37.5	175.7	-173.7	0	0	0	0	112.1	R20 V21 G28	R20-S24 VanDerWaalsContact O-CB 3.31Å; R20-S24 WeakPolarHBondContact O-CB 3.48Å; R20-S24 PolarHBondContact O-N 3.48Å; V21-S24 PolarHBondContact O-N 2.91Å; S24-G28 PolarHBondContact O-N 3.39Å
25	M	76.8	Confident	74.7	Confident	125 Å²	125	107.4 Å²	107.4	62%	0.616	56%	0.556	S	S	*	*	H	α-helix	trans	-69.5	-39.8	177	-72.3	-175.5	78	0	0	111.7	V21 L22 V23 G28 V29	V21-M25 HydrophobicContact CG1-CG 4.4Å; V21-M25 HydrophobicContact CG1-SD 4.07Å; V21-M25 WeakPolarHBondContact O-CB 3.28Å; V21-M25 VanDerWaalsContact O-CG 3.28Å; V21-M25 WeakPolarHBondContact O-CG 3.49Å; V21-M25 PolarHBondContact O-N 3.01Å; L22-M25 PolarHBondContact O-N 3.48Å; V23-M25 VanDerWaalsContact C-N 3.32Å; V23-M25 PolarHBondContact O-N 3.27Å; M25-G28 PolarHBondContact O-N 3.03Å; M25-V29 WeakPolarHBondContact O-CG2 3.47Å; M25-V29 PolarHBondContact O-N 2.92Å
26	T	79.3	Confident	74.7	Confident	87 Å²	87	104.3 Å²	104.3	53%	0.534	55%	0.549	S	S	.	.	H	α-helix	trans	-68.1	-39.4	177.7	58.5	0	0	0	0	112.4	L22 V23 G30	L22-T26 WeakPolarHBondContact O-CG2 3.49Å; L22-T26 PolarHBondContact O-N 2.89Å; L22-T26 PolarHBondContact O-OG1 3.33Å; V23-T26 PolarHBondContact O-N 3.48Å; V23-T26 PolarHBondContact O-OG1 3.07Å; T26-G30 PolarHBondContact O-N 3.42Å
27	V	81.8	Confident	74.5	Confident	88 Å²	88	104.5 Å²	104.5	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-64.1	-43	173.7	174	0	0	0	0	111	V23 G30 C31	V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.46Å; V23-V27 PolarHBondContact O-N 3.38Å; V27-G30 PolarHBondContact O-N 3Å; V27-C31 WeakPolarHBondContact O-CB 3.48Å; V27-C31 PolarHBondContact O-N 3.17Å
28	G	80.1	Confident	74.5	Confident	41 Å²	41	104.8 Å²	104.8	42%	0.423	56%	0.557	S	S	.	*	H	α-helix	trans	-61.1	-45.8	177.5	0	0	0	0	0	113.2	S24 M25 C31 L32	S24-G28 PolarHBondContact O-N 3.39Å; M25-G28 PolarHBondContact O-N 3.03Å; G28-C31 PolarHBondContact O-N 2.96Å; G28-L32 WeakPolarHBondContact O-CB 3.34Å; G28-L32 PolarHBondContact O-N 3.26Å
29	V	80.9	Confident	74.2	Confident	93 Å²	93	101.9 Å²	101.9	56%	0.564	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-40.5	176.6	173.9	0	0	0	0	111.2	M25 L32 F33	M25-V29 WeakPolarHBondContact O-CG2 3.47Å; M25-V29 PolarHBondContact O-N 2.92Å; V29-L32 PolarHBondContact O-N 2.89Å; V29-F33 WeakPolarHBondContact O-CB 3.37Å; V29-F33 PolarHBondContact O-N 2.87Å
30	G	80.9	Confident	73.8	Confident	33 Å²	33	101.6 Å²	101.6	34%	0.34	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-45.5	175.8	0	0	0	0	0	113	T26 V27 L32 F33 L34	T26-G30 PolarHBondContact O-N 3.42Å; V27-G30 PolarHBondContact O-N 3Å; G30-L32 VanDerWaalsContact C-N 3.33Å; G30-L32 PolarHBondContact O-N 3.39Å; G30-F33 PolarHBondContact O-N 3.31Å; G30-L34 WeakPolarHBondContact O-CG 3.33Å; G30-L34 PolarHBondContact O-N 3.47Å
31	C	79.9	Confident	73.3	Confident	68 Å²	68	101.4 Å²	101.4	46%	0.459	56%	0.563	S	S	.	*	H	α-helix	trans	-61.6	-40.3	173.9	-84.3	0	0	0	0	112.1	V27 G28 L34 L35	V27-C31 WeakPolarHBondContact O-CB 3.48Å; V27-C31 PolarHBondContact O-N 3.17Å; G28-C31 PolarHBondContact O-N 2.96Å; C31-L34 PolarHBondContact O-N 3.43Å; C31-L35 WeakPolarHBondContact O-CB 3.35Å; C31-L35 WeakPolarHBondContact O-CD1 3.5Å; C31-L35 PolarHBondContact O-N 3.29Å
32	L	77.3	Confident	72.4	Confident	111 Å²	111	103.4 Å²	103.4	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-66.1	-39	177.7	-154	78.9	0	0	0	111.8	G28 V29 G30 L35 Q36	G28-L32 WeakPolarHBondContact O-CB 3.34Å; G28-L32 PolarHBondContact O-N 3.26Å; V29-L32 PolarHBondContact O-N 2.89Å; G30-L32 VanDerWaalsContact C-N 3.33Å; G30-L32 PolarHBondContact O-N 3.39Å; L32-L35 PolarHBondContact O-N 3.46Å; L32-Q36 WeakPolarHBondContact O-CG 3.43Å; L32-Q36 PolarHBondContact O-N 2.96Å
33	F	77.3	Confident	71.6	Confident	134 Å²	134	109.7 Å²	109.7	59%	0.588	59%	0.594	S	S	*	*	H	α-helix	trans	-65.3	-43.2	175.8	-126.5	-92.2	0	0	0	111.8	V29 G30 Q36 T37	V29-F33 WeakPolarHBondContact O-CB 3.37Å; V29-F33 PolarHBondContact O-N 2.87Å; G30-F33 PolarHBondContact O-N 3.31Å; F33-Q36 PolarHBondContact O-N 3.08Å; F33-T37 PolarHBondContact O-N 3.07Å
34	L	75.8	Confident	70.7	Confident	108 Å²	108	113.8 Å²	113.8	57%	0.565	61%	0.605	S	S	*	*	H	α-helix	trans	-65.4	-39.6	174.9	-68.5	169.7	0	0	0	111.6	G30 C31 Q36 T37 H38	G30-L34 WeakPolarHBondContact O-CG 3.33Å; G30-L34 PolarHBondContact O-N 3.47Å; C31-L34 PolarHBondContact O-N 3.43Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.98Å; L34-T37 PolarHBondContact O-N 2.92Å; L34-T37 PolarHBondContact O-OG1 3.31Å; L34-H38 PolarHBondContact O-CD2 3.11Å; L34-H38 PolarHBondContact O-N 3.05Å; L34-H38 VanDerWaalsContact O-N 3.11Å
35	L	71.2	Confident	70.1	Confident	103 Å²	103	117.3 Å²	117.3	54%	0.539	61%	0.612	S	S	.	*	H	α-helix	trans	-63.7	-38.2	173.1	-104.3	121.8	0	0	0	112.2	C31 L32 H38 L39	C31-L35 WeakPolarHBondContact O-CB 3.35Å; C31-L35 WeakPolarHBondContact O-CD1 3.5Å; C31-L35 PolarHBondContact O-N 3.29Å; L32-L35 PolarHBondContact O-N 3.46Å; L35-H38 PolarHBondContact O-N 3.44Å; L35-L39 HydrophobicContact CD2-CD1 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.37Å
36	Q	65.6	Low	70.5	Confident	108 Å²	108	117.7 Å²	117.7	51%	0.505	61%	0.61	S	S	.	*	H	α-helix	trans	-63.5	-39.8	174.9	-78	-178.5	-13.5	0	0	112	L32 F33 L34 L39 V40	L32-Q36 WeakPolarHBondContact O-CG 3.43Å; L32-Q36 PolarHBondContact O-N 2.96Å; F33-Q36 PolarHBondContact O-N 3.08Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.98Å; Q36-L39 PolarHBondContact O-N 3.06Å; Q36-V40 WeakPolarHBondContact O-CB 3.31Å; Q36-V40 VanDerWaalsContact O-CG2 3.22Å; Q36-V40 WeakPolarHBondContact O-CG2 3.44Å; Q36-V40 PolarHBondContact O-N 2.91Å; Q36-V40 VanDerWaalsContact O-N 3.08Å
37	T	65.6	Low	71.3	Confident	88 Å²	88	114.5 Å²	114.5	54%	0.54	59%	0.59	S	S	.	*	H	α-helix	trans	-70.6	-30.3	177.4	58.7	0	0	0	0	113.1	F33 L34	F33-T37 PolarHBondContact O-N 3.07Å; L34-T37 PolarHBondContact O-N 2.92Å; L34-T37 PolarHBondContact O-OG1 3.31Å
38	H	66.4	Low	72.1	Confident	161 Å²	161	110.3 Å²	110.3	75%	0.745	57%	0.565	S	S	*	*	H	α-helix	trans	-77.9	-25.3	175.4	-80.5	-74.4	0	0	0	114	L34 L35	L34-H38 PolarHBondContact O-CD2 3.11Å; L34-H38 PolarHBondContact O-N 3.05Å; L34-H38 VanDerWaalsContact O-N 3.11Å; L35-H38 PolarHBondContact O-N 3.44Å
39	L	63.4	Low	73	Confident	135 Å²	135	108.4 Å²	108.4	71%	0.707	55%	0.545	S	S	*	.	H	α-helix	trans	-90.6	-24.2	179.3	-70.6	171.2	0	0	0	113.5	L35 Q36 K41	L35-L39 HydrophobicContact CD2-CD1 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.37Å; Q36-L39 PolarHBondContact O-N 3.06Å; L39-K41 PolarHBondContact O-N 3.27Å
40	V	61.9	Low	73.8	Confident	105 Å²	105	106.5 Å²	106.5	64%	0.636	54%	0.535	S	S	*	.			trans	-81.9	86.4	174.5	179.9	0	0	0	0	109	Q36	Q36-V40 WeakPolarHBondContact O-CB 3.31Å; Q36-V40 VanDerWaalsContact O-CG2 3.22Å; Q36-V40 WeakPolarHBondContact O-CG2 3.44Å; Q36-V40 PolarHBondContact O-N 2.91Å; Q36-V40 VanDerWaalsContact O-N 3.08Å
41	K	57.7	Low	74.6	Confident	185 Å²	185	105.8 Å²	105.8	80%	0.804	52%	0.523	S	S	*	.			trans	-58.2	127.3	162.3	-72.9	-177.2	179.8	178.7	0	107.8	L39 R43	L39-K41 PolarHBondContact O-N 3.27Å; K41-R43 PolarHBondContact O-N 3.03Å
42	P	54.5	Low	75.4	Confident	123 Å²	123	108.5 Å²	108.5	80%	0.799	53%	0.529	S	S	*	.			trans	-57.4	119.6	174.2	22.1	-30.4	0	0	0	108.1	K44	P42-K44 PolarHBondContact O-N 2.94Å
43	R	54.3	Low	76.4	Confident	247 Å²	247	103.5 Å²	103.5	93%	0.932	50%	0.503	S	S	*	.			trans	-66.9	103.1	176.4	-141.8	176.8	-173.5	170.3	1.4	105.8	K41 Q45	K41-R43 PolarHBondContact O-N 3.03Å; R43-Q45 PolarHBondContact O-N 3.22Å
44	K	56.2	Low	77.4	Confident	163 Å²	163	101.7 Å²	101.7	71%	0.709	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-49.1	118.9	174.6	-131.6	-174.6	-176.1	-170.9	0	106.5	P42 K46	P42-K44 PolarHBondContact O-N 2.94Å; K44-K46 PolarHBondContact O-N 2.83Å
45	Q	64.8	Low	78.5	Confident	157 Å²	157	97.4 Å²	97.4	73%	0.734	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-57.4	126.6	179.8	-171.1	168.1	22.9	0	0	107.5	R43 D47	R43-Q45 PolarHBondContact O-N 3.22Å; Q45-D47 PolarHBondContact O-N 2.94Å
46	K	85.7	Confident	79.7	Confident	134 Å²	134	92.8 Å²	92.8	58%	0.583	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-67.5	119.3	-175	-154.9	177.5	-172.4	-175.4	0	108.4	K44 F51 F154	K44-K46 PolarHBondContact O-N 2.83Å; K46-F51 HydrophobicContact CD-CE1 4.46Å; K46-F51 HydrophobicContact CD-CZ 3.95Å; K46-F51 VanDerWaalsContact CE-CE1 3.46Å; K46-F51 VanDerWaalsContact CE-CZ 3.41Å; K46-F51 HydrophobicContact CG-CE2 4.29Å; K46-F51 HydrophobicContact CG-CZ 4.23Å; K46-F154 WeakPolarHBondContact O-CE2 3.39Å
47	D	96.4	Very high	81.1	Confident	20 Å²	20	95.8 Å²	95.8	11%	0.107	46%	0.456	C	S	.	.			trans	-121.9	169	177.4	69.1	55.6	0	0	0	110.1	Q45 Y49 S50 F51 R67	Q45-D47 PolarHBondContact O-N 2.94Å; D47-Y49 VanDerWaalsContact C-N 3.27Å; D47-Y49 PolarHBondContact O-N 2.8Å; D47-Y49 WeakPolarHBondContact OD1-CA 3.27Å; D47-Y49 PolarHBondContact OD1-N 3.21Å; D47-S50 PolarHBondContact N-OG 3.07Å; D47-S50 WeakPolarHBondContact O-CB 3.37Å; D47-S50 PolarHBondContact O-N 3.04Å; D47-S50 PolarHBondContact O-OG 2.94Å; D47-S50 PolarHBondContact OD1-N 2.77Å; D47-F51 VanDerWaalsContact O-CD2 3.31Å; D47-F51 WeakPolarHBondContact O-CD2 3.49Å; D47-F51 WeakPolarHBondContact O-CE2 3.3Å; D47-R67 IonicContact OD1-CZ 2.72Å; D47-R67 IonicContact OD1-NH1 3.39Å; D47-R67 PolarHBondContact OD1-NH1 2.76Å; D47-R67 IonicContact OD1-NH2 3.84Å; D47-R67 PolarHBondContact OD1-NH2 2.88Å; D47-R67 IonicContact OD2-CZ 3.18Å; D47-R67 VanDerWaalsContact OD2-CZ 3.27Å; D47-R67 IonicContact OD2-NH1 3.48Å; D47-R67 PolarHBondContact OD2-NH1 3.19Å; D47-R67 IonicContact OD2-NH2 2.8Å; D47-R67 PolarHBondContact OD2-NH2 2.93Å
48	F	98.4	Very high	82.6	Confident	0 Å²	0	93.4 Å²	93.4	0%	0	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-59.4	-35.1	-176	178.1	-106	0	0	0	113.6	S50 F51 L63 V73 L105 F107 A151 F154 L155 V172 G176	F48-S50 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 3.44Å; F48-F51 WeakPolarHBondContact O-CD2 3.32Å; F48-L63 HydrophobicContact CD1-CD1 4.39Å; F48-L63 HydrophobicContact CD2-CD1 4.49Å; F48-L63 HydrophobicContact CE1-CD1 3.84Å; F48-L63 HydrophobicContact CE2-CD1 3.95Å; F48-L63 HydrophobicContact CZ-CD1 3.6Å; F48-V73 HydrophobicContact CD1-CG2 4.48Å; F48-V73 HydrophobicContact CE1-CG2 3.67Å; F48-V73 HydrophobicContact CE2-CG2 4.27Å; F48-V73 HydrophobicContact CZ-CB 4.49Å; F48-V73 HydrophobicContact CZ-CG1 4.17Å; F48-V73 HydrophobicContact CZ-CG2 3.54Å; F48-L105 HydrophobicContact CE1-CD1 3.78Å; F48-L105 HydrophobicContact CZ-CD1 4.22Å; F48-F107 HydrophobicContact CZ-CE2 4.38Å; F48-A151 HydrophobicContact CE2-CB 4.28Å; F48-F154 HydrophobicContact CB-CD1 3.88Å; F48-F154 HydrophobicContact CB-CE1 3.74Å; F48-F154 HydrophobicContact CD2-CD1 4.29Å; F48-L155 HydrophobicContact CB-CD2 4.49Å; F48-L155 HydrophobicContact CD2-CD1 4.31Å; F48-L155 HydrophobicContact CD2-CD2 3.48Å; F48-L155 VanDerWaalsContact CD2-CD2 3.48Å; F48-L155 HydrophobicContact CD2-CG 3.89Å; F48-L155 HydrophobicContact CE2-CD1 3.84Å; F48-L155 HydrophobicContact CE2-CD2 3.85Å; F48-L155 HydrophobicContact CE2-CG 3.92Å; F48-L155 HydrophobicContact CG-CD2 4.02Å; F48-V172 HydrophobicContact CB-CG1 3.9Å; F48-V172 HydrophobicContact CB-CG2 4.48Å; F48-V172 HydrophobicContact CD1-CB 4.36Å; F48-V172 HydrophobicContact CD1-CG1 3.93Å; F48-V172 HydrophobicContact CD1-CG2 4.04Å; F48-V172 HydrophobicContact CG-CG1 4.21Å; F48-V172 HydrophobicContact CG-CG2 4.18Å; F48-G176 VanDerWaalsContact CB-O 3.32Å; F48-G176 WeakPolarHBondContact CB-O 3.25Å; F48-G176 PolarHBondContact N-O 3.03Å
49	Y	98.3	Very high	84.1	Confident	0 Å²	0	92.8 Å²	92.8	0%	0	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-78.6	-15.1	-177.4	-60.1	-44.1	0	0	0	113.1	D47 F51 L63 E64 R67 K69 S71 V172 N173 G176	D47-Y49 VanDerWaalsContact C-N 3.27Å; D47-Y49 PolarHBondContact O-N 2.8Å; D47-Y49 WeakPolarHBondContact OD1-CA 3.27Å; D47-Y49 PolarHBondContact OD1-N 3.21Å; Y49-F51 PolarHBondContact O-N 2.72Å; Y49-L63 HydrophobicContact CD1-CB 4.49Å; Y49-L63 CarbonylContact O-C 3.56Å; Y49-L63 VanDerWaalsContact O-C 3.28Å; Y49-E64 WeakPolarHBondContact O-CA 3.43Å; Y49-E64 PolarHBondContact O-N 2.95Å; Y49-R67 HydrophobicContact CD2-CB 3.88Å; Y49-R67 HydrophobicContact CD2-CG 4.08Å; Y49-R67 HydrophobicContact CG-CB 4.26Å; Y49-K69 PolarHBondContact OH-O 2.8Å; Y49-S71 WeakPolarHBondContact CE1-OG 3.25Å; Y49-S71 VanDerWaalsContact OH-CB 3.31Å; Y49-S71 WeakPolarHBondContact OH-CB 3.47Å; Y49-S71 PolarHBondContact OH-N 2.84Å; Y49-S71 PolarHBondContact OH-OG 3.09Å; Y49-V172 HydrophobicContact CE1-CG1 4.28Å; Y49-V172 HydrophobicContact CE2-CG1 4.3Å; Y49-N173 WeakPolarHBondContact CE2-O 3.49Å; Y49-N173 PolarHBondContact OH-O 2.87Å; Y49-G176 VanDerWaalsContact CD2-CA 3.43Å
50	S	97.4	Very high	85.7	Confident	53 Å²	53	89.9 Å²	89.9	37%	0.371	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-71.9	-8.6	174.7	72.7	0	0	0	0	114.8	D47 F48	D47-S50 PolarHBondContact N-OG 3.07Å; D47-S50 WeakPolarHBondContact O-CB 3.37Å; D47-S50 PolarHBondContact O-N 3.04Å; D47-S50 PolarHBondContact O-OG 2.94Å; D47-S50 PolarHBondContact OD1-N 2.77Å; F48-S50 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 3.44Å
51	F	98	Very high	87.4	Confident	19 Å²	19	86.1 Å²	86.1	8%	0.083	41%	0.405	C	S	.	.			trans	-84.7	156.1	-180	-68.1	-94.1	0	0	0	112.8	K46 D47 F48 Y49 L63 P150 A151 F154	K46-F51 HydrophobicContact CD-CE1 4.46Å; K46-F51 HydrophobicContact CD-CZ 3.95Å; K46-F51 VanDerWaalsContact CE-CE1 3.46Å; K46-F51 VanDerWaalsContact CE-CZ 3.41Å; K46-F51 HydrophobicContact CG-CE2 4.29Å; K46-F51 HydrophobicContact CG-CZ 4.23Å; D47-F51 VanDerWaalsContact O-CD2 3.31Å; D47-F51 WeakPolarHBondContact O-CD2 3.49Å; D47-F51 WeakPolarHBondContact O-CE2 3.3Å; F48-F51 WeakPolarHBondContact O-CD2 3.32Å; Y49-F51 PolarHBondContact O-N 2.72Å; F51-L63 HydrophobicContact CB-CD1 4.21Å; F51-L63 WeakPolarHBondContact O-CB 3.46Å; F51-L63 PolarHBondContact O-N 2.94Å; F51-P150 HydrophobicContact CD1-CB 4.06Å; F51-P150 HydrophobicContact CE1-CB 3.8Å; F51-P150 WeakPolarHBondContact CE1-O 3.49Å; F51-A151 HydrophobicContact CB-CB 3.75Å; F51-A151 HydrophobicContact CD1-CB 4.17Å; F51-A151 HydrophobicContact CD2-CB 4.44Å; F51-A151 HydrophobicContact CG-CB 3.9Å; F51-F154 HydrophobicContact CE2-CB 3.66Å; F51-F154 HydrophobicContact CE2-CD1 4.36Å; F51-F154 AromaticContact CE2-CD2 3.99Å; F51-F154 HydrophobicContact CE2-CD2 3.99Å; F51-F154 AromaticContact CE2-CG 3.74Å; F51-F154 HydrophobicContact CE2-CG 3.74Å; F51-F154 HydrophobicContact CZ-CB 3.66Å; F51-F154 HydrophobicContact CZ-CD2 4.23Å; F51-F154 HydrophobicContact CZ-CG 4.11Å
52	E	98.1	Very high	89.4	Confident	125 Å²	125	79.6 Å²	79.6	58%	0.584	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	142.2	166.3	-60.7	-172.3	158.2	0	0	109.2	T60 V61	E52-T60 HydrophobicContact CB-CG2 3.85Å; E52-T60 HydrophobicContact CG-CG2 4.38Å; E52-T60 VanDerWaalsContact OE2-CG2 3.3Å; E52-T60 WeakPolarHBondContact OE2-CG2 3.31Å; E52-V61 WeakPolarHBondContact CA-O 3.38Å
53	V	98.4	Very high	91.4	Very high	5 Å²	5	73.8 Å²	73.8	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	167	-179.9	-63	0	0	0	0	109.7	T60 V61 L63 F107 F138 A151	V53-T60 CarbonylContact O-C 3.59Å; V53-T60 WeakPolarHBondContact O-CA 3.4Å; V53-V61 PolarHBondContact N-O 2.95Å; V53-V61 PolarHBondContact O-N 2.93Å; V53-L63 HydrophobicContact CG1-CD1 4.02Å; V53-L63 HydrophobicContact CG1-CG 4.28Å; V53-L63 HydrophobicContact CG2-CD2 3.64Å; V53-L63 HydrophobicContact CG2-CG 4.05Å; V53-F107 HydrophobicContact CB-CE1 4.3Å; V53-F107 HydrophobicContact CG1-CE1 3.96Å; V53-F107 HydrophobicContact CG1-CZ 4.24Å; V53-F107 HydrophobicContact CG2-CE1 4.49Å; V53-F138 HydrophobicContact CB-CD1 4.31Å; V53-F138 HydrophobicContact CG2-CD1 3.29Å; V53-F138 HydrophobicContact CG2-CE1 3.36Å; V53-F138 HydrophobicContact CG2-CG 4.07Å; V53-F138 HydrophobicContact CG2-CZ 4.2Å; V53-A151 HydrophobicContact CG1-CB 3.68Å
54	K	98.5	Very high	93.5	Very high	97 Å²	97	65.3 Å²	65.3	42%	0.422	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.2	174	-62.9	-68	-174.1	174.9	0	109.8	G58 R59 T60 F138 S139	K54-G58 WeakPolarHBondContact CD-O 3.42Å; K54-R59 CarbonylContact C-O 3.57Å; K54-R59 WeakPolarHBondContact CA-O 3.43Å; K54-T60 PolarHBondContact NZ-OG1 3.13Å; K54-F138 CarbonylContact O-C 3.53Å; K54-F138 WeakPolarHBondContact O-CA 3.27Å; K54-F138 WeakPolarHBondContact O-CB 3.47Å; K54-S139 WeakPolarHBondContact CB-OG 3.18Å; K54-S139 PolarHBondContact O-N 3.04Å
55	D	97.8	Very high	95.4	Very high	18 Å²	18	63.3 Å²	63.3	10%	0.096	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-72.4	174.5	168.9	74.5	4.4	0	0	0	111.4	R57 G58 R59 V61 S139	D55-R57 PolarHBondContact O-N 3.3Å; D55-R57 WeakPolarHBondContact OD1-CA 3.37Å; D55-R57 WeakPolarHBondContact OD1-CB 3.18Å; D55-R57 PolarHBondContact OD1-N 3.2Å; D55-G58 PolarHBondContact O-N 3.42Å; D55-G58 PolarHBondContact OD1-N 3.11Å; D55-R59 PolarHBondContact N-O 3.47Å; D55-R59 PolarHBondContact OD1-N 3.08Å; D55-R59 IonicContact OD1-NE 3.77Å; D55-R59 IonicContact OD2-CZ 3.29Å; D55-R59 IonicContact OD2-NE 3.7Å; D55-R59 PolarHBondContact OD2-NE 3.17Å; D55-R59 IonicContact OD2-NH2 2.76Å; D55-R59 PolarHBondContact OD2-NH2 3.03Å; D55-V61 HydrophobicContact CB-CG2 3.89Å; D55-S139 PolarHBondContact O-N 2.9Å; D55-S139 PolarHBondContact O-OG 3.49Å
56	A	95.9	Very high	96.9	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.9	179	0	0	0	0	0	114.3	S120 R121 E124 F137	A56-S120 WeakPolarHBondContact O-CB 3.39Å; A56-R121 WeakPolarHBondContact O-CG 3.22Å; A56-E124 HydrophobicContact CB-CB 3.99Å; A56-E124 HydrophobicContact CB-CG 4.45Å; A56-E124 WeakPolarHBondContact CB-OE2 3.46Å; A56-F137 PolarHBondContact N-O 3.05Å
57	R	95.8	Very high	97.5	Very high	171 Å²	171	53.9 Å²	53.9	65%	0.645	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	2.7	177.3	-56.9	-177.3	-175.9	-157.4	0.6	113.1	D55	D55-R57 PolarHBondContact O-N 3.3Å; D55-R57 WeakPolarHBondContact OD1-CA 3.37Å; D55-R57 WeakPolarHBondContact OD1-CB 3.18Å; D55-R57 PolarHBondContact OD1-N 3.2Å
58	G	96.5	Very high	97.5	Very high	39 Å²	39	53.9 Å²	53.9	40%	0.402	27%	0.266	S	S	.	.	S	Bend	trans	81.2	11	-179.6	0	0	0	0	0	114.5	K54 D55	K54-G58 WeakPolarHBondContact CD-O 3.42Å; D55-G58 PolarHBondContact O-N 3.42Å; D55-G58 PolarHBondContact OD1-N 3.11Å
59	R	97.8	Very high	97.4	Very high	147 Å²	147	56.6 Å²	56.6	56%	0.555	28%	0.278	S	S	*	.			trans	-83.4	139.7	175.8	-57.7	176.9	-62.4	177.6	3.8	109.6	K54 D55	K54-R59 CarbonylContact C-O 3.57Å; K54-R59 WeakPolarHBondContact CA-O 3.43Å; D55-R59 PolarHBondContact N-O 3.47Å; D55-R59 PolarHBondContact OD1-N 3.08Å; D55-R59 IonicContact OD1-NE 3.77Å; D55-R59 IonicContact OD2-CZ 3.29Å; D55-R59 IonicContact OD2-NE 3.7Å; D55-R59 PolarHBondContact OD2-NE 3.17Å; D55-R59 IonicContact OD2-NH2 2.76Å; D55-R59 PolarHBondContact OD2-NH2 3.03Å
60	T	98.3	Very high	97.4	Very high	75 Å²	75	56.6 Å²	56.6	46%	0.46	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.7	172.8	-56.5	0	0	0	0	109.9	E52 V53 K54	E52-T60 HydrophobicContact CB-CG2 3.85Å; E52-T60 HydrophobicContact CG-CG2 4.38Å; E52-T60 VanDerWaalsContact OE2-CG2 3.3Å; E52-T60 WeakPolarHBondContact OE2-CG2 3.31Å; V53-T60 CarbonylContact O-C 3.59Å; V53-T60 WeakPolarHBondContact O-CA 3.4Å; K54-T60 PolarHBondContact NZ-OG1 3.13Å
61	V	97.8	Very high	97.4	Very high	26 Å²	26	54 Å²	54	16%	0.158	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.2	179	177.1	0	0	0	0	108.5	E52 V53 D55 K65	E52-V61 WeakPolarHBondContact CA-O 3.38Å; V53-V61 PolarHBondContact N-O 2.95Å; V53-V61 PolarHBondContact O-N 2.93Å; D55-V61 HydrophobicContact CB-CG2 3.89Å; V61-K65 HydrophobicContact CG1-CD 4.18Å; V61-K65 VanDerWaalsContact CG1-NZ 3.27Å
62	S	98.1	Very high	97.5	Very high	48 Å²	48	53.1 Å²	53.1	34%	0.336	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.7	172	-178.8	0	0	0	0	110.9	E64 K65	S62-E64 PolarHBondContact O-N 2.95Å; S62-E64 VanDerWaalsContact OG-CB 3.27Å; S62-E64 WeakPolarHBondContact OG-CB 3.45Å; S62-E64 PolarHBondContact OG-N 3.29Å; S62-K65 WeakPolarHBondContact O-CG 3.12Å
63	L	98.3	Very high	97.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-75.7	-8.8	172.8	-64.4	-177.5	0	0	0	112.7	F48 Y49 F51 V53 K65 Y66 F138 A151	F48-L63 HydrophobicContact CD1-CD1 4.39Å; F48-L63 HydrophobicContact CD2-CD1 4.49Å; F48-L63 HydrophobicContact CE1-CD1 3.84Å; F48-L63 HydrophobicContact CE2-CD1 3.95Å; F48-L63 HydrophobicContact CZ-CD1 3.6Å; Y49-L63 HydrophobicContact CD1-CB 4.49Å; Y49-L63 CarbonylContact O-C 3.56Å; Y49-L63 VanDerWaalsContact O-C 3.28Å; F51-L63 HydrophobicContact CB-CD1 4.21Å; F51-L63 WeakPolarHBondContact O-CB 3.46Å; F51-L63 PolarHBondContact O-N 2.94Å; V53-L63 HydrophobicContact CG1-CD1 4.02Å; V53-L63 HydrophobicContact CG1-CG 4.28Å; V53-L63 HydrophobicContact CG2-CD2 3.64Å; V53-L63 HydrophobicContact CG2-CG 4.05Å; L63-K65 PolarHBondContact O-N 3.42Å; L63-K65 VanDerWaalsContact O-N 3.11Å; L63-Y66 HydrophobicContact CB-CD2 4.34Å; L63-Y66 HydrophobicContact CD2-CD2 3.89Å; L63-Y66 HydrophobicContact CD2-CE2 3.75Å; L63-Y66 WeakPolarHBondContact O-CB 3.43Å; L63-Y66 WeakPolarHBondContact O-CD2 3.32Å; L63-Y66 PolarHBondContact O-N 3.44Å; L63-F138 HydrophobicContact CD2-CE1 4.04Å; L63-F138 HydrophobicContact CD2-CZ 3.76Å; L63-A151 HydrophobicContact CD1-CB 4.22Å
64	E	97.8	Very high	97.5	Very high	69 Å²	69	47 Å²	47	32%	0.322	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-58.1	-29.3	-179.8	-171	68.7	-177.4	0	0	111.8	Y49 S62 Y66 R67	Y49-E64 WeakPolarHBondContact O-CA 3.43Å; Y49-E64 PolarHBondContact O-N 2.95Å; S62-E64 PolarHBondContact O-N 2.95Å; S62-E64 VanDerWaalsContact OG-CB 3.27Å; S62-E64 WeakPolarHBondContact OG-CB 3.45Å; S62-E64 PolarHBondContact OG-N 3.29Å; E64-Y66 PolarHBondContact O-N 3.17Å; E64-Y66 VanDerWaalsContact O-N 3.07Å; E64-R67 WeakPolarHBondContact O-CB 3.35Å; E64-R67 PolarHBondContact O-N 3.27Å; E64-R67 WeakPolarHBondContact OE1-CD 3.32Å; E64-R67 IonicContact OE1-CZ 3.76Å; E64-R67 IonicContact OE1-NE 2.8Å; E64-R67 PolarHBondContact OE1-NE 2.87Å; E64-R67 IonicContact OE1-NH2 3.79Å; E64-R67 IonicContact OE2-CZ 3.38Å; E64-R67 VanDerWaalsContact OE2-CZ 3.29Å; E64-R67 IonicContact OE2-NE 2.94Å; E64-R67 PolarHBondContact OE2-NE 2.79Å; E64-R67 IonicContact OE2-NH2 2.65Å; E64-R67 PolarHBondContact OE2-NH2 2.65Å
65	K	96.1	Very high	97.5	Very high	121 Å²	121	42.3 Å²	42.3	53%	0.526	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.8	-15.1	175.6	72.1	-176.3	-178	170.7	0	114.4	V61 S62 L63	V61-K65 HydrophobicContact CG1-CD 4.18Å; V61-K65 VanDerWaalsContact CG1-NZ 3.27Å; S62-K65 WeakPolarHBondContact O-CG 3.12Å; L63-K65 PolarHBondContact O-N 3.42Å; L63-K65 VanDerWaalsContact O-N 3.11Å
66	Y	96.9	Very high	97.6	Very high	21 Å²	21	41.5 Å²	41.5	8%	0.082	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-97.1	-5.8	175.6	-55.1	-69.7	0	0	0	112.6	L63 E64 K69 N103 L105 P136 F138	L63-Y66 HydrophobicContact CB-CD2 4.34Å; L63-Y66 HydrophobicContact CD2-CD2 3.89Å; L63-Y66 HydrophobicContact CD2-CE2 3.75Å; L63-Y66 WeakPolarHBondContact O-CB 3.43Å; L63-Y66 WeakPolarHBondContact O-CD2 3.32Å; L63-Y66 PolarHBondContact O-N 3.44Å; E64-Y66 PolarHBondContact O-N 3.17Å; E64-Y66 VanDerWaalsContact O-N 3.07Å; Y66-K69 WeakPolarHBondContact O-CB 3.35Å; Y66-K69 PolarHBondContact O-N 3.05Å; Y66-N103 WeakPolarHBondContact CD1-OD1 3.45Å; Y66-L105 HydrophobicContact CD1-CD2 4.03Å; Y66-L105 HydrophobicContact CD2-CD1 4.15Å; Y66-L105 HydrophobicContact CD2-CD2 4.19Å; Y66-L105 HydrophobicContact CE1-CD2 3.66Å; Y66-L105 HydrophobicContact CE2-CD1 4.4Å; Y66-L105 HydrophobicContact CE2-CD2 3.85Å; Y66-L105 HydrophobicContact CG-CD1 4.41Å; Y66-L105 HydrophobicContact CG-CD2 4.27Å; Y66-P136 HydrophobicContact CE1-CG 4.31Å; Y66-P136 WeakPolarHBondContact OH-CG 3.43Å; Y66-F138 AromaticContact CE2-CZ 3.92Å; Y66-F138 HydrophobicContact CE2-CZ 3.92Å
67	R	96.9	Very high	97.7	Very high	72 Å²	72	41.3 Å²	41.3	27%	0.272	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	144.1	175.4	-171.2	178	-64.1	-80.1	-2.8	110.6	D47 Y49 E64 K69 E175	D47-R67 IonicContact OD1-CZ 2.72Å; D47-R67 IonicContact OD1-NH1 3.39Å; D47-R67 PolarHBondContact OD1-NH1 2.76Å; D47-R67 IonicContact OD1-NH2 3.84Å; D47-R67 PolarHBondContact OD1-NH2 2.88Å; D47-R67 IonicContact OD2-CZ 3.18Å; D47-R67 VanDerWaalsContact OD2-CZ 3.27Å; D47-R67 IonicContact OD2-NH1 3.48Å; D47-R67 PolarHBondContact OD2-NH1 3.19Å; D47-R67 IonicContact OD2-NH2 2.8Å; D47-R67 PolarHBondContact OD2-NH2 2.93Å; Y49-R67 HydrophobicContact CD2-CB 3.88Å; Y49-R67 HydrophobicContact CD2-CG 4.08Å; Y49-R67 HydrophobicContact CG-CB 4.26Å; E64-R67 WeakPolarHBondContact O-CB 3.35Å; E64-R67 PolarHBondContact O-N 3.27Å; E64-R67 WeakPolarHBondContact OE1-CD 3.32Å; E64-R67 IonicContact OE1-CZ 3.76Å; E64-R67 IonicContact OE1-NE 2.8Å; E64-R67 PolarHBondContact OE1-NE 2.87Å; E64-R67 IonicContact OE1-NH2 3.79Å; E64-R67 IonicContact OE2-CZ 3.38Å; E64-R67 VanDerWaalsContact OE2-CZ 3.29Å; E64-R67 IonicContact OE2-NE 2.94Å; E64-R67 PolarHBondContact OE2-NE 2.79Å; E64-R67 IonicContact OE2-NH2 2.65Å; E64-R67 PolarHBondContact OE2-NH2 2.65Å; R67-K69 VanDerWaalsContact C-N 3.3Å; R67-E175 PolarHBondContact NH1-O 2.95Å; R67-E175 VanDerWaalsContact NH1-O 3.09Å
68	G	95.9	Very high	97.6	Very high	20 Å²	20	33.6 Å²	33.6	21%	0.206	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	0.3	-175.3	0	0	0	0	0	114.2	Q174	G68-Q174 PolarHBondContact N-O 3.48Å
69	K	97.1	Very high	97.5	Very high	57 Å²	57	37.8 Å²	37.8	25%	0.248	18%	0.182	C	C	.	.	S	Bend	trans	-121	158.2	176.3	-54.1	-173.3	-177.8	-171.4	0	111.3	Y49 Y66 R67 S100 H101 N103 N173 Q174	Y49-K69 PolarHBondContact OH-O 2.8Å; Y66-K69 WeakPolarHBondContact O-CB 3.35Å; Y66-K69 PolarHBondContact O-N 3.05Å; R67-K69 VanDerWaalsContact C-N 3.3Å; K69-S100 VanDerWaalsContact CE-O 3.25Å; K69-S100 WeakPolarHBondContact CE-O 3.38Å; K69-S100 WeakPolarHBondContact CG-O 3.45Å; K69-H101 WeakPolarHBondContact CA-O 3.4Å; K69-N103 WeakPolarHBondContact CD-OD1 3.39Å; K69-N173 CarbonylContact O-C 3.28Å; K69-Q174 VanDerWaalsContact O-CA 3.26Å; K69-Q174 WeakPolarHBondContact O-CA 3.13Å; K69-Q174 PolarHBondContact O-N 3.06Å
70	A	98.1	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.6	161.9	0	0	0	0	0	109.5	H101 F102 N103 L171 V172 L198 V199 I202	A70-H101 PolarHBondContact N-O 2.94Å; A70-F102 HydrophobicContact CB-CD2 3.95Å; A70-F102 CarbonylContact O-C 3.53Å; A70-F102 VanDerWaalsContact O-CA 3.24Å; A70-F102 WeakPolarHBondContact O-CA 3.34Å; A70-F102 VanDerWaalsContact O-CD2 3.26Å; A70-F102 WeakPolarHBondContact O-CD2 3.26Å; A70-N103 PolarHBondContact O-N 2.68Å; A70-L171 HydrophobicContact CB-CD1 4.49Å; A70-V172 WeakPolarHBondContact CA-O 3.48Å; A70-L198 HydrophobicContact CB-CD2 3.7Å; A70-L198 HydrophobicContact CB-CG 4.15Å; A70-V199 HydrophobicContact CB-CG2 4Å; A70-I202 HydrophobicContact CB-CD1 3.86Å
71	S	98.6	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.4	175.2	-62.2	0	0	0	0	110.6	Y49 N103 V172	Y49-S71 WeakPolarHBondContact CE1-OG 3.25Å; Y49-S71 VanDerWaalsContact OH-CB 3.31Å; Y49-S71 WeakPolarHBondContact OH-CB 3.47Å; Y49-S71 PolarHBondContact OH-N 2.84Å; Y49-S71 PolarHBondContact OH-OG 3.09Å; S71-N103 CarbonylContact C-O 3.57Å; S71-N103 WeakPolarHBondContact CA-O 3.24Å; S71-N103 WeakPolarHBondContact CB-ND2 3.3Å; S71-N103 PolarHBondContact OG-ND2 2.65Å; S71-V172 PolarHBondContact N-O 2.81Å; S71-V172 PolarHBondContact O-N 3.49Å
72	L	98.8	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	104.3	167.1	-170.7	68.8	0	0	0	108.8	V74 L90 L93 F102 N103 V104 L105 K169 L171 W182 V191 V195	L72-V74 HydrophobicContact CD2-CG2 4.43Å; L72-V74 HydrophobicContact CG-CG2 4.1Å; L72-L90 HydrophobicContact CD2-CD2 3.75Å; L72-L93 HydrophobicContact CD2-CD2 3.81Å; L72-F102 HydrophobicContact CB-CE2 3.75Å; L72-F102 HydrophobicContact CB-CZ 3.72Å; L72-N103 PolarHBondContact N-O 3.38Å; L72-V104 HydrophobicContact CB-CG2 4.46Å; L72-V104 CarbonylContact O-C 3.59Å; L72-V104 WeakPolarHBondContact O-CA 3.34Å; L72-L105 PolarHBondContact O-N 3.01Å; L72-K169 HydrophobicContact CD1-CB 4.03Å; L72-L171 HydrophobicContact CD1-CB 4.49Å; L72-W182 HydrophobicContact CD1-CE3 4.46Å; L72-W182 HydrophobicContact CD1-CZ3 3.98Å; L72-V191 HydrophobicContact CD1-CG1 4.21Å; L72-V191 HydrophobicContact CD2-CG1 3.76Å; L72-V195 HydrophobicContact CD1-CG2 4.38Å
73	V	98.9	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.9	-179.3	-168.1	0	0	0	0	109.7	F48 L105 F107 F152 L155 K169 F170 V172	F48-V73 HydrophobicContact CD1-CG2 4.48Å; F48-V73 HydrophobicContact CE1-CG2 3.67Å; F48-V73 HydrophobicContact CE2-CG2 4.27Å; F48-V73 HydrophobicContact CZ-CB 4.49Å; F48-V73 HydrophobicContact CZ-CG1 4.17Å; F48-V73 HydrophobicContact CZ-CG2 3.54Å; V73-L105 WeakPolarHBondContact CA-O 3.48Å; V73-L105 HydrophobicContact CG1-CB 4.4Å; V73-L105 HydrophobicContact CG2-CB 4.3Å; V73-L105 HydrophobicContact CG2-CD1 4.23Å; V73-F107 HydrophobicContact CG1-CD2 3.49Å; V73-F107 VanDerWaalsContact CG1-CD2 3.49Å; V73-F107 HydrophobicContact CG1-CE2 3.5Å; V73-F107 VanDerWaalsContact CG1-CE2 3.5Å; V73-F152 HydrophobicContact CG1-CE2 4.42Å; V73-L155 HydrophobicContact CB-CD1 3.79Å; V73-L155 HydrophobicContact CG1-CD1 3.55Å; V73-L155 HydrophobicContact CG2-CD1 4.17Å; V73-K169 CarbonylContact O-C 3.59Å; V73-K169 WeakPolarHBondContact O-CA 3.5Å; V73-F170 HydrophobicContact CB-CB 4.41Å; V73-F170 PolarHBondContact N-O 3.35Å; V73-F170 PolarHBondContact O-N 3.01Å; V73-V172 HydrophobicContact CG2-CG2 3.87Å
74	V	98.8	Very high	96.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.5	-172.5	-170	0	0	0	0	110.6	L72 V76 L90 V104 L105 F107 F167 W168 K169	L72-V74 HydrophobicContact CD2-CG2 4.43Å; L72-V74 HydrophobicContact CG-CG2 4.1Å; V74-V76 HydrophobicContact CB-CG1 4.15Å; V74-V76 HydrophobicContact CG1-CG1 3.88Å; V74-L90 HydrophobicContact CG1-CD1 4.17Å; V74-L90 HydrophobicContact CG2-CD1 4.29Å; V74-L90 HydrophobicContact CG2-CD2 4.02Å; V74-V104 HydrophobicContact CG2-CG1 4.38Å; V74-L105 PolarHBondContact N-O 3.41Å; V74-F107 PolarHBondContact O-N 2.99Å; V74-F167 HydrophobicContact CG1-CD1 4.26Å; V74-W168 WeakPolarHBondContact CA-O 3.46Å; V74-W168 WeakPolarHBondContact CG1-O 3.4Å; V74-K169 HydrophobicContact CG1-CG 4.25Å; V74-K169 HydrophobicContact CG2-CB 4.41Å; V74-K169 HydrophobicContact CG2-CG 4.13Å
75	N	98.6	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.7	165.8	66.3	-57.5	0	0	0	109.7	F107 I143 F152 W165 F167 W168	N75-F107 CarbonylContact C-O 3.57Å; N75-F107 VanDerWaalsContact CA-O 3.25Å; N75-F107 WeakPolarHBondContact CA-O 3.34Å; N75-I143 HydrophobicContact CB-CD1 3.38Å; N75-F152 HydrophobicContact CB-CE2 3.94Å; N75-F152 HydrophobicContact CB-CZ 3.78Å; N75-W165 PolarHBondContact ND2-O 2.94Å; N75-F167 VanDerWaalsContact O-CA 3.27Å; N75-F167 WeakPolarHBondContact O-CA 3.46Å; N75-F167 PolarHBondContact O-N 3.5Å; N75-W168 PolarHBondContact N-O 2.9Å; N75-W168 WeakPolarHBondContact OD1-CA 3.3Å; N75-W168 VanDerWaalsContact OD1-CB 3.25Å; N75-W168 WeakPolarHBondContact OD1-CB 3.48Å; N75-W168 PolarHBondContact OD1-N 2.61Å; N75-W168 PolarHBondContact OD1-O 3.42Å; N75-W168 VanDerWaalsContact OD1-O 3.1Å
76	V	98.4	Very high	96.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	159.6	-172	-59.4	0	0	0	0	111.8	V74 Y87 A106 F107 P108 C109 F137 F167	V74-V76 HydrophobicContact CB-CG1 4.15Å; V74-V76 HydrophobicContact CG1-CG1 3.88Å; V76-Y87 HydrophobicContact CB-CE1 4.13Å; V76-Y87 WeakPolarHBondContact CB-OH 3.36Å; V76-Y87 HydrophobicContact CG1-CE1 4.06Å; V76-Y87 WeakPolarHBondContact CG2-OH 3.31Å; V76-A106 HydrophobicContact CG1-CB 4.01Å; V76-A106 HydrophobicContact CG2-CB 4.06Å; V76-F107 PolarHBondContact N-O 2.94Å; V76-P108 HydrophobicContact CG2-CB 4.21Å; V76-P108 HydrophobicContact CG2-CG 3.96Å; V76-P108 WeakPolarHBondContact O-CA 3.48Å; V76-C109 PolarHBondContact O-N 3.48Å; V76-F137 HydrophobicContact CG2-CD1 4.48Å; V76-F137 HydrophobicContact CG2-CE1 3.9Å; V76-F167 HydrophobicContact CB-CE1 4.07Å; V76-F167 HydrophobicContact CG1-CD1 4.3Å; V76-F167 HydrophobicContact CG1-CE1 4.09Å
77	A	97.6	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-144.3	164.5	169.8	0	0	0	0	0	109.9	C80 T83 T115 E116 N166 F167	A77-C80 HydrophobicContact CB-CB 4.24Å; A77-T83 WeakPolarHBondContact O-CG2 3.29Å; A77-T83 PolarHBondContact O-OG1 2.79Å; A77-T115 VanDerWaalsContact CB-OG1 3.28Å; A77-T115 WeakPolarHBondContact CB-OG1 3.28Å; A77-E116 VanDerWaalsContact C-OE2 3.32Å; A77-E116 VanDerWaalsContact CA-OE2 3.26Å; A77-E116 WeakPolarHBondContact CA-OE2 3.24Å; A77-E116 HydrophobicContact CB-CB 4.48Å; A77-N166 HydrophobicContact CB-CB 4.08Å; A77-F167 VanDerWaalsContact O-CZ 3.29Å; A77-F167 WeakPolarHBondContact O-CZ 3.38Å
78	S	95.5	Very high	96.8	Very high	10 Å²	10	35.7 Å²	35.7	7%	0.07	18%	0.184	C	C	.	.	S	Bend	trans	-109.2	-28.4	-172.4	-58.9	0	0	0	0	111	E116	S78-E116 WeakPolarHBondContact CA-OE2 3.35Å; S78-E116 WeakPolarHBondContact CB-OE2 3.34Å; S78-E116 PolarHBondContact N-OE2 2.9Å; S78-E116 PolarHBondContact OG-OE1 2.74Å; S78-E116 PolarHBondContact OG-OE2 2.96Å; S78-E116 VanDerWaalsContact OG-OE2 3.06Å
79	H	92.8	Very high	96.9	Very high	126 Å²	126	36.3 Å²	36.3	58%	0.583	19%	0.185	S	C	*	.	S	Bend	trans	-116.5	47.9	-178.7	-53.9	-72.5	0	0	0	112.4	T115	H79-T115 WeakPolarHBondContact CB-O 3.41Å; H79-T115 PolarHBondContact CD2-O 2.83Å; H79-T115 PolarHBondContact N-O 3.45Å; H79-T115 WeakPolarHBondContact O-CB 3.44Å; H79-T115 WeakPolarHBondContact O-CG2 3.45Å
80	C	93.2	Very high	97	Very high	14 Å²	14	33.6 Å²	33.6	10%	0.095	17%	0.173	C	C	.	.	S	Bend	trans	-118.3	147.6	176	177.5	0	0	0	0	111.2	A77 H82 T83 T115 W165 F167	A77-C80 HydrophobicContact CB-CB 4.24Å; C80-H82 PolarHBondContact O-N 2.86Å; C80-T83 WeakPolarHBondContact CA-OG1 3.4Å; C80-T83 WeakPolarHBondContact CB-OG1 3.39Å; C80-T83 PolarHBondContact N-OG1 2.78Å; C80-T83 WeakPolarHBondContact O-CB 3.44Å; C80-T83 PolarHBondContact O-N 2.93Å; C80-T83 PolarHBondContact O-OG1 3.24Å; C80-T115 HydrophobicContact CB-CG2 4.17Å; C80-W165 PolarHBondContact SG-NE1 3.37Å; C80-F167 HydrophobicContact CB-CE2 4.08Å
81	Q	93.1	Very high	97	Very high	165 Å²	165	34.8 Å²	34.8	77%	0.771	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-21.7	176	70.3	-160.7	52.7	0	0	114.4
82	H	94.8	Very high	96.9	Very high	57 Å²	57	38.5 Å²	38.5	26%	0.264	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.9	178.5	-60.5	-73.8	0	0	0	113.9	C80 S86 W165 F167 T184	C80-H82 PolarHBondContact O-N 2.86Å; H82-S86 WeakPolarHBondContact O-CB 3.47Å; H82-S86 PolarHBondContact O-N 3.22Å; H82-S86 PolarHBondContact O-OG 3.45Å; H82-W165 AromaticContact CD2-NE1 3.79Å; H82-F167 HydrophobicContact CB-CD2 3.71Å; H82-F167 HydrophobicContact CB-CE2 4Å; H82-T184 HydrophobicContact CB-CG2 4.17Å; H82-T184 VanDerWaalsContact CD2-CG2 3.48Å; H82-T184 WeakPolarHBondContact CD2-CG2 3.5Å
83	T	96.2	Very high	96.8	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-52.7	-170.1	-57	0	0	0	0	112.4	A77 C80 S86 Y87 Y131 F167	A77-T83 WeakPolarHBondContact O-CG2 3.29Å; A77-T83 PolarHBondContact O-OG1 2.79Å; C80-T83 WeakPolarHBondContact CA-OG1 3.4Å; C80-T83 WeakPolarHBondContact CB-OG1 3.39Å; C80-T83 PolarHBondContact N-OG1 2.78Å; C80-T83 WeakPolarHBondContact O-CB 3.44Å; C80-T83 PolarHBondContact O-N 2.93Å; C80-T83 PolarHBondContact O-OG1 3.24Å; T83-S86 PolarHBondContact O-N 3.03Å; T83-Y87 HydrophobicContact CG2-CD2 3.44Å; T83-Y87 VanDerWaalsContact CG2-CD2 3.44Å; T83-Y87 HydrophobicContact CG2-CE2 3.45Å; T83-Y87 VanDerWaalsContact CG2-CE2 3.45Å; T83-Y87 WeakPolarHBondContact O-CB 3.39Å; T83-Y87 WeakPolarHBondContact O-CD2 3.32Å; T83-Y87 PolarHBondContact O-N 2.82Å; T83-Y131 HydrophobicContact CG2-CE2 4.08Å; T83-F167 HydrophobicContact CG2-CZ 4.43Å
84	E	96.6	Very high	96.7	Very high	108 Å²	108	39.6 Å²	39.6	51%	0.505	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-51.8	-175.8	177.1	172.6	176.3	0	0	112	S86 K88 Y131	E84-S86 VanDerWaalsContact C-N 3.33Å; E84-S86 PolarHBondContact O-N 3.49Å; E84-K88 HydrophobicContact CG-CD 4.07Å; E84-K88 WeakPolarHBondContact O-CB 3.48Å; E84-K88 VanDerWaalsContact O-CG 3.32Å; E84-K88 WeakPolarHBondContact O-CG 3.38Å; E84-K88 PolarHBondContact O-N 3.44Å; E84-K88 VanDerWaalsContact O-N 3.14Å; E84-K88 IonicContact OE1-NZ 2.61Å; E84-K88 PolarHBondContact OE1-NZ 2.99Å; E84-Y131 HydrophobicContact CB-CE1 4.14Å; E84-Y131 HydrophobicContact CG-CE1 4.07Å
85	A	97.1	Very high	96.5	Very high	64 Å²	64	48 Å²	48	53%	0.529	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-42.7	179.4	0	0	0	0	0	111.3	S89	A85-S89 WeakPolarHBondContact O-CB 3.31Å; A85-S89 PolarHBondContact O-N 3.15Å; A85-S89 PolarHBondContact O-OG 3.17Å
86	S	97.7	Very high	96.3	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-48.7	-177.9	-60.1	0	0	0	0	112	H82 T83 E84 K88 S89 L90 F167	H82-S86 WeakPolarHBondContact O-CB 3.47Å; H82-S86 PolarHBondContact O-N 3.22Å; H82-S86 PolarHBondContact O-OG 3.45Å; T83-S86 PolarHBondContact O-N 3.03Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-S86 PolarHBondContact O-N 3.49Å; S86-K88 PolarHBondContact O-N 2.94Å; S86-S89 PolarHBondContact O-N 3.4Å; S86-L90 VanDerWaalsContact O-CB 3.25Å; S86-L90 WeakPolarHBondContact O-CB 3.26Å; S86-L90 WeakPolarHBondContact O-CD1 3.43Å; S86-L90 WeakPolarHBondContact O-CG 3.32Å; S86-L90 PolarHBondContact O-N 2.88Å; S86-F167 WeakPolarHBondContact OG-CG 3.44Å
87	Y	98.2	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-40.6	179.9	-79.2	-48	0	0	0	112.2	V76 T83 Q91 A127 Y131 V133 F135 F137	V76-Y87 HydrophobicContact CB-CE1 4.13Å; V76-Y87 WeakPolarHBondContact CB-OH 3.36Å; V76-Y87 HydrophobicContact CG1-CE1 4.06Å; V76-Y87 WeakPolarHBondContact CG2-OH 3.31Å; T83-Y87 HydrophobicContact CG2-CD2 3.44Å; T83-Y87 VanDerWaalsContact CG2-CD2 3.44Å; T83-Y87 HydrophobicContact CG2-CE2 3.45Å; T83-Y87 VanDerWaalsContact CG2-CE2 3.45Å; T83-Y87 WeakPolarHBondContact O-CB 3.39Å; T83-Y87 WeakPolarHBondContact O-CD2 3.32Å; T83-Y87 PolarHBondContact O-N 2.82Å; Y87-Q91 VanDerWaalsContact O-CB 3.25Å; Y87-Q91 WeakPolarHBondContact O-CB 3.32Å; Y87-Q91 PolarHBondContact O-N 2.9Å; Y87-A127 HydrophobicContact CE1-CB 4.35Å; Y87-A127 HydrophobicContact CE2-CB 4.31Å; Y87-Y131 AromaticContact CD2-CD2 3.47Å; Y87-Y131 HydrophobicContact CD2-CD2 3.47Å; Y87-Y131 VanDerWaalsContact CD2-CD2 3.47Å; Y87-Y131 AromaticContact CD2-CE2 3.46Å; Y87-Y131 HydrophobicContact CD2-CE2 3.46Å; Y87-Y131 VanDerWaalsContact CD2-CE2 3.46Å; Y87-Y131 HydrophobicContact CD2-CG 4.3Å; Y87-Y131 HydrophobicContact CE2-CD2 4.26Å; Y87-Y131 HydrophobicContact CE2-CE2 4.13Å; Y87-Y131 AromaticContact CG-CD2 3.91Å; Y87-Y131 HydrophobicContact CG-CD2 3.91Å; Y87-Y131 HydrophobicContact CG-CE2 4.31Å; Y87-Y131 HydrophobicContact CG-CG 4.37Å; Y87-V133 HydrophobicContact CD1-CG1 4.14Å; Y87-V133 HydrophobicContact CG-CG1 4.46Å; Y87-F135 HydrophobicContact CD1-CZ 4.07Å; Y87-F135 HydrophobicContact CE1-CZ 4.47Å; Y87-F137 HydrophobicContact CD1-CZ 4.49Å; Y87-F137 HydrophobicContact CE1-CE1 4.2Å; Y87-F137 AromaticContact CE1-CZ 3.56Å; Y87-F137 HydrophobicContact CE1-CZ 3.56Å; Y87-F137 AromaticContact CZ-CZ 3.94Å
88	K	97.8	Very high	94.8	Very high	112 Å²	112	55 Å²	55	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-51.7	175.6	-74.8	176.6	174.3	175.9	0	111.5	E84 S86 Q91 E92	E84-K88 HydrophobicContact CG-CD 4.07Å; E84-K88 WeakPolarHBondContact O-CB 3.48Å; E84-K88 VanDerWaalsContact O-CG 3.32Å; E84-K88 WeakPolarHBondContact O-CG 3.38Å; E84-K88 PolarHBondContact O-N 3.44Å; E84-K88 VanDerWaalsContact O-N 3.14Å; E84-K88 IonicContact OE1-NZ 2.61Å; E84-K88 PolarHBondContact OE1-NZ 2.99Å; S86-K88 PolarHBondContact O-N 2.94Å; K88-Q91 PolarHBondContact O-N 3.17Å; K88-E92 WeakPolarHBondContact O-CB 3.11Å; K88-E92 PolarHBondContact O-N 2.99Å
89	S	97.7	Very high	93.7	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-36.6	-179.1	-60.1	0	0	0	0	113.2	A85 S86 L93	A85-S89 WeakPolarHBondContact O-CB 3.31Å; A85-S89 PolarHBondContact O-N 3.15Å; A85-S89 PolarHBondContact O-OG 3.17Å; S86-S89 PolarHBondContact O-N 3.4Å; S89-L93 WeakPolarHBondContact O-CB 3.27Å; S89-L93 PolarHBondContact O-N 2.96Å
90	L	98.2	Very high	92.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-41	175.5	-71.6	170.3	0	0	0	111.6	L72 V74 S86 L93 H94 V104 F135 M188	L72-L90 HydrophobicContact CD2-CD2 3.75Å; V74-L90 HydrophobicContact CG1-CD1 4.17Å; V74-L90 HydrophobicContact CG2-CD1 4.29Å; V74-L90 HydrophobicContact CG2-CD2 4.02Å; S86-L90 VanDerWaalsContact O-CB 3.25Å; S86-L90 WeakPolarHBondContact O-CB 3.26Å; S86-L90 WeakPolarHBondContact O-CD1 3.43Å; S86-L90 WeakPolarHBondContact O-CG 3.32Å; S86-L90 PolarHBondContact O-N 2.88Å; L90-L93 PolarHBondContact O-N 3.48Å; L90-H94 VanDerWaalsContact O-CB 3.24Å; L90-H94 WeakPolarHBondContact O-CB 3.4Å; L90-H94 PolarHBondContact O-N 3.11Å; L90-V104 HydrophobicContact CD2-CG1 4.39Å; L90-F135 HydrophobicContact CB-CE1 4.07Å; L90-F135 HydrophobicContact CB-CZ 4.19Å; L90-M188 HydrophobicContact CD2-CE 4.37Å
91	Q	97.7	Very high	92.9	Very high	26 Å²	26	57.8 Å²	57.8	12%	0.121	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-39.8	177.3	-179.6	54.8	19.3	0	0	111.6	Y87 K88 H94 R95 G132 V133 T134 F135	Y87-Q91 VanDerWaalsContact O-CB 3.25Å; Y87-Q91 WeakPolarHBondContact O-CB 3.32Å; Y87-Q91 PolarHBondContact O-N 2.9Å; K88-Q91 PolarHBondContact O-N 3.17Å; Q91-H94 PolarHBondContact O-N 3.17Å; Q91-R95 VanDerWaalsContact O-CB 3.31Å; Q91-R95 WeakPolarHBondContact O-CB 3.32Å; Q91-R95 PolarHBondContact O-N 2.61Å; Q91-G132 PolarHBondContact NE2-O 2.99Å; Q91-V133 HydrophobicContact CB-CG1 4.31Å; Q91-V133 VanDerWaalsContact OE1-CA 3.29Å; Q91-T134 PolarHBondContact NE2-OG1 3.37Å; Q91-F135 HydrophobicContact CB-CE1 4.16Å; Q91-F135 VanDerWaalsContact OE1-CD1 3.29Å
92	E	96.8	Very high	93.2	Very high	78 Å²	78	50 Å²	50	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-50	174	-179.9	177.6	-136.3	0	0	111.4	K88 H94 R95 E96 R192	K88-E92 WeakPolarHBondContact O-CB 3.11Å; K88-E92 PolarHBondContact O-N 2.99Å; E92-H94 VanDerWaalsContact C-N 3.3Å; E92-H94 PolarHBondContact O-N 3.23Å; E92-R95 PolarHBondContact O-N 3.43Å; E92-R95 VanDerWaalsContact O-N 3.16Å; E92-E96 WeakPolarHBondContact CG-OE1 3.37Å; E92-E96 WeakPolarHBondContact O-CG 3.32Å; E92-E96 PolarHBondContact O-N 3.42Å; E92-R192 VanDerWaalsContact CD-NH2 3.34Å; E92-R192 IonicContact OE2-NH2 2.81Å; E92-R192 PolarHBondContact OE2-NH2 2.9Å
93	L	96.9	Very high	93.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-43	175.9	-176.5	67.9	0	0	0	111.7	L72 S89 L90 E96 L97 F102 M188 V191 R192 V195	L72-L93 HydrophobicContact CD2-CD2 3.81Å; S89-L93 WeakPolarHBondContact O-CB 3.27Å; S89-L93 PolarHBondContact O-N 2.96Å; L90-L93 PolarHBondContact O-N 3.48Å; L93-E96 PolarHBondContact O-N 3.32Å; L93-L97 HydrophobicContact CD1-CD1 3.57Å; L93-L97 HydrophobicContact CD1-CG 4.25Å; L93-L97 HydrophobicContact CG-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 PolarHBondContact O-N 3.03Å; L93-F102 HydrophobicContact CD2-CE1 4.3Å; L93-F102 HydrophobicContact CD2-CZ 3.97Å; L93-F102 HydrophobicContact CG-CE1 4.01Å; L93-F102 HydrophobicContact CG-CZ 4.18Å; L93-M188 HydrophobicContact CD2-CE 4.2Å; L93-V191 HydrophobicContact CD2-CG1 4.1Å; L93-R192 HydrophobicContact CD1-CB 4.2Å; L93-R192 HydrophobicContact CD1-CG 4Å; L93-V195 HydrophobicContact CD2-CG2 4.45Å
94	H	97	Very high	93.4	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-37.9	177.2	-172.4	65.4	0	0	0	112.2	L90 Q91 E92 G98 V104 T134 F135	L90-H94 VanDerWaalsContact O-CB 3.24Å; L90-H94 WeakPolarHBondContact O-CB 3.4Å; L90-H94 PolarHBondContact O-N 3.11Å; Q91-H94 PolarHBondContact O-N 3.17Å; E92-H94 VanDerWaalsContact C-N 3.3Å; E92-H94 PolarHBondContact O-N 3.23Å; H94-G98 WeakPolarHBondContact O-CA 2.98Å; H94-G98 PolarHBondContact O-N 3.38Å; H94-V104 HydrophobicContact CB-CG2 3.92Å; H94-V104 PolarHBondContact ND1-N 2.74Å; H94-T134 PolarHBondContact CD2-OG1 3.31Å; H94-F135 HydrophobicContact CB-CD1 3.95Å
95	R	95	Very high	93.5	Very high	176 Å²	176	42.2 Å²	42.2	66%	0.664	23%	0.227	S	C	*	.	H	α-helix	trans	-67.3	-42.2	176	-178.5	-178.1	63.3	-170.1	-2.5	111.8	Q91 E92	Q91-R95 VanDerWaalsContact O-CB 3.31Å; Q91-R95 WeakPolarHBondContact O-CB 3.32Å; Q91-R95 PolarHBondContact O-N 2.61Å; E92-R95 PolarHBondContact O-N 3.43Å; E92-R95 VanDerWaalsContact O-N 3.16Å
96	E	93.5	Very high	93.6	Very high	99 Å²	99	39.1 Å²	39.1	46%	0.463	20%	0.202	S	C	.	.	H	α-helix	trans	-70.5	-39.3	-178.3	-75.7	177.6	-132.5	0	0	113.2	E92 L93 R192	E92-E96 WeakPolarHBondContact CG-OE1 3.37Å; E92-E96 WeakPolarHBondContact O-CG 3.32Å; E92-E96 PolarHBondContact O-N 3.42Å; L93-E96 PolarHBondContact O-N 3.32Å; E96-R192 IonicContact OE1-CZ 2.87Å; E96-R192 IonicContact OE1-NH1 3.35Å; E96-R192 PolarHBondContact OE1-NH1 3.28Å; E96-R192 IonicContact OE1-NH2 2.79Å; E96-R192 PolarHBondContact OE1-NH2 3.23Å; E96-R192 IonicContact OE2-CZ 3.53Å; E96-R192 IonicContact OE2-NH1 3.49Å; E96-R192 PolarHBondContact OE2-NH1 3.08Å
97	L	93.1	Very high	93.6	Very high	24 Å²	24	38.6 Å²	38.6	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-108.7	-20.2	-173	-59.5	-178	0	0	0	113.9	L93 T99 F102 V195	L93-L97 HydrophobicContact CD1-CD1 3.57Å; L93-L97 HydrophobicContact CD1-CG 4.25Å; L93-L97 HydrophobicContact CG-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 PolarHBondContact O-N 3.03Å; L97-T99 PolarHBondContact O-N 3.5Å; L97-F102 HydrophobicContact CB-CB 3.94Å; L97-F102 HydrophobicContact CB-CD1 3.54Å; L97-F102 HydrophobicContact CB-CE1 4.31Å; L97-F102 HydrophobicContact CB-CG 3.92Å; L97-F102 WeakPolarHBondContact O-CB 3.5Å; L97-V195 HydrophobicContact CD1-CB 4.34Å; L97-V195 HydrophobicContact CD1-CG1 3.55Å
98	G	72.3	Confident	93.6	Very high	26 Å²	26	38.6 Å²	38.6	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	38.3	-165.4	0	0	0	0	0	116.4	H94 F102	H94-G98 WeakPolarHBondContact O-CA 2.98Å; H94-G98 PolarHBondContact O-N 3.38Å; G98-F102 WeakPolarHBondContact CA-O 3.4Å
99	T	73	Confident	93.6	Very high	101 Å²	101	33.3 Å²	33.3	62%	0.62	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-120.7	169.3	60.4	0	0	0	0	110	L97 H101	L97-T99 PolarHBondContact O-N 3.5Å; T99-H101 PolarHBondContact O-N 2.85Å
100	S	76.1	Confident	93.5	Very high	75 Å²	75	32.6 Å²	32.6	52%	0.524	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.7	-172.4	-45	0	0	0	0	113.7	K69	K69-S100 VanDerWaalsContact CE-O 3.25Å; K69-S100 WeakPolarHBondContact CE-O 3.38Å; K69-S100 WeakPolarHBondContact CG-O 3.45Å
101	H	92.9	Very high	93.4	Very high	32 Å²	32	35.9 Å²	35.9	15%	0.148	19%	0.188	C	C	.	.	S	Bend	trans	-126.3	-3.4	-163.6	-57	-68.2	0	0	0	115.5	K69 A70 T99 V199 I202 I203	K69-H101 WeakPolarHBondContact CA-O 3.4Å; A70-H101 PolarHBondContact N-O 2.94Å; T99-H101 PolarHBondContact O-N 2.85Å; H101-V199 HydrophobicContact CB-CG1 4.06Å; H101-I202 HydrophobicContact CB-CG2 4.35Å; H101-I203 HydrophobicContact CB-CG1 4.46Å; H101-I203 VanDerWaalsContact CD2-CG1 3.46Å; H101-I203 WeakPolarHBondContact CD2-CG1 3.38Å
102	F	97.8	Very high	93.3	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.9	179.7	177	-109.7	0	0	0	113	A70 L72 L93 L97 G98 V104 V195 V199	A70-F102 HydrophobicContact CB-CD2 3.95Å; A70-F102 CarbonylContact O-C 3.53Å; A70-F102 VanDerWaalsContact O-CA 3.24Å; A70-F102 WeakPolarHBondContact O-CA 3.34Å; A70-F102 VanDerWaalsContact O-CD2 3.26Å; A70-F102 WeakPolarHBondContact O-CD2 3.26Å; L72-F102 HydrophobicContact CB-CE2 3.75Å; L72-F102 HydrophobicContact CB-CZ 3.72Å; L93-F102 HydrophobicContact CD2-CE1 4.3Å; L93-F102 HydrophobicContact CD2-CZ 3.97Å; L93-F102 HydrophobicContact CG-CE1 4.01Å; L93-F102 HydrophobicContact CG-CZ 4.18Å; L97-F102 HydrophobicContact CB-CB 3.94Å; L97-F102 HydrophobicContact CB-CD1 3.54Å; L97-F102 HydrophobicContact CB-CE1 4.31Å; L97-F102 HydrophobicContact CB-CG 3.92Å; L97-F102 WeakPolarHBondContact O-CB 3.5Å; G98-F102 WeakPolarHBondContact CA-O 3.4Å; F102-V104 HydrophobicContact CE1-CG2 3.86Å; F102-V104 HydrophobicContact CZ-CG2 3.83Å; F102-V195 HydrophobicContact CD2-CG1 3.55Å; F102-V195 HydrophobicContact CE1-CG1 4.42Å; F102-V195 HydrophobicContact CE2-CG1 3.29Å; F102-V195 HydrophobicContact CE2-CG2 4.43Å; F102-V195 HydrophobicContact CG-CG1 4.25Å; F102-V195 HydrophobicContact CZ-CG1 3.77Å; F102-V199 HydrophobicContact CB-CG2 3.8Å; F102-V199 HydrophobicContact CD2-CG2 4.35Å; F102-V199 HydrophobicContact CG-CG2 4.34Å
103	N	97.4	Very high	92.9	Very high	6 Å²	6	34 Å²	34	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149	166.4	49.7	-104.5	0	0	0	112.4	Y66 K69 A70 S71 L72 L105	Y66-N103 WeakPolarHBondContact CD1-OD1 3.45Å; K69-N103 WeakPolarHBondContact CD-OD1 3.39Å; A70-N103 PolarHBondContact O-N 2.68Å; S71-N103 CarbonylContact C-O 3.57Å; S71-N103 WeakPolarHBondContact CA-O 3.24Å; S71-N103 WeakPolarHBondContact CB-ND2 3.3Å; S71-N103 PolarHBondContact OG-ND2 2.65Å; L72-N103 PolarHBondContact N-O 3.38Å; N103-L105 VanDerWaalsContact ND2-CD2 3.29Å; N103-L105 WeakPolarHBondContact ND2-CD2 3.47Å; N103-L105 VanDerWaalsContact ND2-CG 3.31Å; N103-L105 WeakPolarHBondContact ND2-CG 3.32Å
104	V	98.6	Very high	92.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.1	163.4	176.2	0	0	0	0	108	L72 V74 L90 H94 F102 F135 P136	L72-V104 HydrophobicContact CB-CG2 4.46Å; L72-V104 CarbonylContact O-C 3.59Å; L72-V104 WeakPolarHBondContact O-CA 3.34Å; V74-V104 HydrophobicContact CG2-CG1 4.38Å; L90-V104 HydrophobicContact CD2-CG1 4.39Å; H94-V104 HydrophobicContact CB-CG2 3.92Å; H94-V104 PolarHBondContact ND1-N 2.74Å; F102-V104 HydrophobicContact CE1-CG2 3.86Å; F102-V104 HydrophobicContact CZ-CG2 3.83Å; V104-F135 HydrophobicContact CB-CB 3.83Å; V104-F135 HydrophobicContact CB-CD1 4.03Å; V104-F135 HydrophobicContact CB-CD2 4.16Å; V104-F135 HydrophobicContact CB-CG 3.76Å; V104-F135 HydrophobicContact CG1-CB 4.43Å; V104-F135 HydrophobicContact CG1-CD1 4.22Å; V104-F135 HydrophobicContact CG1-CD2 3.82Å; V104-F135 HydrophobicContact CG1-CE1 4.42Å; V104-F135 HydrophobicContact CG1-CE2 4.04Å; V104-F135 HydrophobicContact CG1-CG 3.92Å; V104-F135 HydrophobicContact CG1-CZ 4.33Å; V104-F135 WeakPolarHBondContact O-CB 3.37Å; V104-P136 VanDerWaalsContact O-CD 3.28Å; V104-P136 WeakPolarHBondContact O-CD 3.25Å; V104-P136 WeakPolarHBondContact O-CG 3.4Å
105	L	98.7	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	106.3	178.3	-63.7	-172.3	0	0	0	108.8	F48 Y66 L72 V73 V74 N103 F107 P136 F138	F48-L105 HydrophobicContact CE1-CD1 3.78Å; F48-L105 HydrophobicContact CZ-CD1 4.22Å; Y66-L105 HydrophobicContact CD1-CD2 4.03Å; Y66-L105 HydrophobicContact CD2-CD1 4.15Å; Y66-L105 HydrophobicContact CD2-CD2 4.19Å; Y66-L105 HydrophobicContact CE1-CD2 3.66Å; Y66-L105 HydrophobicContact CE2-CD1 4.4Å; Y66-L105 HydrophobicContact CE2-CD2 3.85Å; Y66-L105 HydrophobicContact CG-CD1 4.41Å; Y66-L105 HydrophobicContact CG-CD2 4.27Å; L72-L105 PolarHBondContact O-N 3.01Å; V73-L105 WeakPolarHBondContact CA-O 3.48Å; V73-L105 HydrophobicContact CG1-CB 4.4Å; V73-L105 HydrophobicContact CG2-CB 4.3Å; V73-L105 HydrophobicContact CG2-CD1 4.23Å; V74-L105 PolarHBondContact N-O 3.41Å; N103-L105 VanDerWaalsContact ND2-CD2 3.29Å; N103-L105 WeakPolarHBondContact ND2-CD2 3.47Å; N103-L105 VanDerWaalsContact ND2-CG 3.31Å; N103-L105 WeakPolarHBondContact ND2-CG 3.32Å; L105-F107 HydrophobicContact CB-CE2 4.11Å; L105-P136 HydrophobicContact CD2-CG 3.53Å; L105-F138 HydrophobicContact CB-CE2 3.9Å; L105-F138 HydrophobicContact CD2-CE2 3.96Å; L105-F138 HydrophobicContact CD2-CZ 4.14Å; L105-F138 HydrophobicContact CG-CE2 4.33Å
106	A	98.7	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.5	-174.9	0	0	0	0	0	112	V76 F135 P136 F137 F138	V76-A106 HydrophobicContact CG1-CB 4.01Å; V76-A106 HydrophobicContact CG2-CB 4.06Å; A106-F135 HydrophobicContact CB-CD2 4.07Å; A106-F135 HydrophobicContact CB-CE2 3.84Å; A106-P136 PolarHBondContact N-O 2.72Å; A106-P136 VanDerWaalsContact N-O 3.08Å; A106-F137 HydrophobicContact CB-CD1 4.05Å; A106-F137 HydrophobicContact CB-CD2 3.95Å; A106-F137 HydrophobicContact CB-CE1 4.04Å; A106-F137 HydrophobicContact CB-CE2 3.92Å; A106-F137 HydrophobicContact CB-CG 4.01Å; A106-F137 HydrophobicContact CB-CZ 3.97Å; A106-F138 WeakPolarHBondContact O-CD2 3.35Å; A106-F138 PolarHBondContact O-N 3.31Å
107	F	98.7	Very high	92	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	99.2	176.5	-74	-93.9	0	0	0	109.8	F48 V53 V73 V74 N75 V76 L105 F138 I141 F152	F48-F107 HydrophobicContact CZ-CE2 4.38Å; V53-F107 HydrophobicContact CB-CE1 4.3Å; V53-F107 HydrophobicContact CG1-CE1 3.96Å; V53-F107 HydrophobicContact CG1-CZ 4.24Å; V53-F107 HydrophobicContact CG2-CE1 4.49Å; V73-F107 HydrophobicContact CG1-CD2 3.49Å; V73-F107 VanDerWaalsContact CG1-CD2 3.49Å; V73-F107 HydrophobicContact CG1-CE2 3.5Å; V73-F107 VanDerWaalsContact CG1-CE2 3.5Å; V74-F107 PolarHBondContact O-N 2.99Å; N75-F107 CarbonylContact C-O 3.57Å; N75-F107 VanDerWaalsContact CA-O 3.25Å; N75-F107 WeakPolarHBondContact CA-O 3.34Å; V76-F107 PolarHBondContact N-O 2.94Å; L105-F107 HydrophobicContact CB-CE2 4.11Å; F107-F138 HydrophobicContact CD1-CB 3.89Å; F107-F138 HydrophobicContact CD1-CD2 4.11Å; F107-F138 HydrophobicContact CD1-CG 4.24Å; F107-F138 AromaticContact CD2-CD2 3.92Å; F107-F138 HydrophobicContact CD2-CD2 3.92Å; F107-F138 HydrophobicContact CD2-CE2 4.49Å; F107-F138 HydrophobicContact CE1-CB 3.88Å; F107-F138 AromaticContact CE1-CD2 3.75Å; F107-F138 HydrophobicContact CE1-CD2 3.75Å; F107-F138 AromaticContact CE1-CG 3.82Å; F107-F138 HydrophobicContact CE1-CG 3.82Å; F107-F138 AromaticContact CE2-CD2 3.53Å; F107-F138 HydrophobicContact CE2-CD2 3.53Å; F107-F138 AromaticContact CE2-CE2 3.78Å; F107-F138 HydrophobicContact CE2-CE2 3.78Å; F107-F138 HydrophobicContact CE2-CG 4.42Å; F107-F138 HydrophobicContact CG-CB 4.48Å; F107-F138 HydrophobicContact CG-CD2 4.2Å; F107-F138 HydrophobicContact CZ-CB 4.46Å; F107-F138 AromaticContact CZ-CD2 3.44Å; F107-F138 HydrophobicContact CZ-CD2 3.44Å; F107-F138 VanDerWaalsContact CZ-CD2 3.44Å; F107-F138 AromaticContact CZ-CE2 3.79Å; F107-F138 HydrophobicContact CZ-CE2 3.79Å; F107-F138 AromaticContact CZ-CG 3.93Å; F107-F138 HydrophobicContact CZ-CG 3.93Å; F107-I141 HydrophobicContact CB-CD1 3.76Å; F107-I141 HydrophobicContact CB-CG1 4.12Å; F107-I141 HydrophobicContact CD1-CD1 3.86Å; F107-I141 HydrophobicContact CD1-CG1 4.41Å; F107-I141 HydrophobicContact CD1-CG2 4.03Å; F107-I141 HydrophobicContact CG-CD1 4.13Å; F107-F152 HydrophobicContact CB-CD2 4.14Å; F107-F152 HydrophobicContact CB-CE2 4.23Å; F107-F152 HydrophobicContact CD2-CD2 4.47Å; F107-F152 HydrophobicContact CG-CD2 4.19Å
108	P	98.5	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	140.1	177.5	-23	33.8	0	0	0	112.1	V76 E116 I123 F137 F138 K140 I141	V76-P108 HydrophobicContact CG2-CB 4.21Å; V76-P108 HydrophobicContact CG2-CG 3.96Å; V76-P108 WeakPolarHBondContact O-CA 3.48Å; P108-E116 HydrophobicContact CB-CG 4.07Å; P108-I123 HydrophobicContact CB-CD1 4.05Å; P108-I123 HydrophobicContact CB-CG2 3.95Å; P108-I123 HydrophobicContact CG-CG2 3.66Å; P108-F137 HydrophobicContact CG-CD1 4Å; P108-F138 WeakPolarHBondContact CD-O 3.42Å; P108-K140 HydrophobicContact CB-CB 4.28Å; P108-K140 HydrophobicContact CB-CG 4.46Å; P108-K140 CarbonylContact O-C 3.43Å; P108-K140 WeakPolarHBondContact O-CA 3.38Å; P108-I141 PolarHBondContact O-N 3.4Å
109	C	97.8	Very high	92.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-145.2	127.3	178.2	-176.9	0	0	0	0	111.2	V76 F112 E116 I143	V76-C109 PolarHBondContact O-N 3.48Å; C109-F112 HydrophobicContact CB-CE2 4.39Å; C109-E116 WeakPolarHBondContact O-CB 3.49Å; C109-I143 HydrophobicContact CB-CD1 3.86Å; C109-I143 HydrophobicContact CB-CG1 4.4Å
110	G	95	Very high	94	Very high	18 Å²	18	34.6 Å²	34.6	19%	0.186	21%	0.21	C	C	.	.			trans	-93.7	-1.7	-179.9	0	0	0	0	0	115.4	F112	G110-F112 PolarHBondContact O-N 3.07Å; G110-F112 VanDerWaalsContact O-N 3.16Å
111	Q	96.3	Very high	95	Very high	69 Å²	69	39 Å²	39	32%	0.322	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1	-172.6	-65.4	179.7	-66.8	0	0	114.5	L144	Q111-L144 HydrophobicContact CB-CD1 4.37Å; Q111-L144 PolarHBondContact NE2-O 3.28Å
112	F	94.8	Very high	95.1	Very high	10 Å²	10	42 Å²	42	4%	0.044	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	90.8	-176.1	-54.9	-67.5	0	0	0	110.4	C109 G110 D114 T115 I143 L144 P163 W165 N166	C109-F112 HydrophobicContact CB-CE2 4.39Å; G110-F112 PolarHBondContact O-N 3.07Å; G110-F112 VanDerWaalsContact O-N 3.16Å; F112-D114 VanDerWaalsContact C-N 3.34Å; F112-T115 WeakPolarHBondContact O-CG2 3.16Å; F112-T115 PolarHBondContact O-OG1 3.39Å; F112-I143 HydrophobicContact CE2-CD1 4.11Å; F112-I143 HydrophobicContact CZ-CB 4.48Å; F112-I143 HydrophobicContact CZ-CG2 4.37Å; F112-L144 HydrophobicContact CE1-CD1 4.05Å; F112-L144 HydrophobicContact CE1-CG 4.41Å; F112-L144 HydrophobicContact CZ-CG 4.4Å; F112-P163 WeakPolarHBondContact CE1-O 3.35Å; F112-P163 HydrophobicContact CE2-CB 4.36Å; F112-P163 HydrophobicContact CZ-CB 3.85Å; F112-P163 WeakPolarHBondContact CZ-O 3.35Å; F112-W165 HydrophobicContact CB-CE3 4.09Å; F112-W165 HydrophobicContact CB-CZ3 4.37Å; F112-N166 PolarHBondContact O-ND2 2.76Å
113	G	89.9	Confident	95.1	Very high	53 Å²	53	42.2 Å²	42.2	55%	0.546	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	24.7	177.7	0	0	0	0	0	114.5	T115	G113-T115 WeakPolarHBondContact O-CG2 3.3Å; G113-T115 PolarHBondContact O-N 3.09Å; G113-T115 VanDerWaalsContact O-N 3.08Å
114	D	88.5	Confident	95.1	Very high	139 Å²	139	43.5 Å²	43.5	74%	0.743	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	30.1	-180	-60.3	-43.7	0	0	0	114.2	F112 E116	F112-D114 VanDerWaalsContact C-N 3.34Å; D114-E116 PolarHBondContact O-N 2.83Å
115	T	90.8	Very high	95.1	Very high	12 Å²	12	46.1 Å²	46.1	7%	0.074	26%	0.261	C	S	.	.			trans	-80.5	-0.3	-172.8	57	0	0	0	0	114.4	A77 H79 C80 F112 G113 N166	A77-T115 VanDerWaalsContact CB-OG1 3.28Å; A77-T115 WeakPolarHBondContact CB-OG1 3.28Å; H79-T115 WeakPolarHBondContact CB-O 3.41Å; H79-T115 PolarHBondContact CD2-O 2.83Å; H79-T115 PolarHBondContact N-O 3.45Å; H79-T115 WeakPolarHBondContact O-CB 3.44Å; H79-T115 WeakPolarHBondContact O-CG2 3.45Å; C80-T115 HydrophobicContact CB-CG2 4.17Å; F112-T115 WeakPolarHBondContact O-CG2 3.16Å; F112-T115 PolarHBondContact O-OG1 3.39Å; G113-T115 WeakPolarHBondContact O-CG2 3.3Å; G113-T115 PolarHBondContact O-N 3.09Å; G113-T115 VanDerWaalsContact O-N 3.08Å; T115-N166 PolarHBondContact OG1-ND2 3.33Å
116	E	92.7	Very high	95	Very high	3 Å²	3	49 Å²	49	1%	0.014	27%	0.273	C	S	.	.			trans	-136.8	61.8	-178.7	-154	71.6	161.8	0	0	113.5	A77 S78 P108 C109 D114 I123 K140	A77-E116 VanDerWaalsContact C-OE2 3.32Å; A77-E116 VanDerWaalsContact CA-OE2 3.26Å; A77-E116 WeakPolarHBondContact CA-OE2 3.24Å; A77-E116 HydrophobicContact CB-CB 4.48Å; S78-E116 WeakPolarHBondContact CA-OE2 3.35Å; S78-E116 WeakPolarHBondContact CB-OE2 3.34Å; S78-E116 PolarHBondContact N-OE2 2.9Å; S78-E116 PolarHBondContact OG-OE1 2.74Å; S78-E116 PolarHBondContact OG-OE2 2.96Å; S78-E116 VanDerWaalsContact OG-OE2 3.06Å; P108-E116 HydrophobicContact CB-CG 4.07Å; C109-E116 WeakPolarHBondContact O-CB 3.49Å; D114-E116 PolarHBondContact O-N 2.83Å; E116-I123 HydrophobicContact CG-CD1 3.5Å; E116-I123 HydrophobicContact CG-CG1 4.12Å; E116-I123 WeakPolarHBondContact OE1-CG1 3.44Å; E116-I123 WeakPolarHBondContact OE1-CG2 3.46Å; E116-K140 HydrophobicContact CG-CD 4.17Å; E116-K140 WeakPolarHBondContact O-CD 3.25Å; E116-K140 PolarHBondContact O-NZ 2.83Å
117	P	90.2	Very high	94.9	Very high	95 Å²	95	49 Å²	49	62%	0.617	27%	0.273	S	S	*	.			trans	-72.3	-30.3	-175.8	29.4	-34.1	0	0	0	113	K140	P117-K140 PolarHBondContact O-NZ 3.08Å
118	G	90.2	Very high	94.9	Very high	27 Å²	27	53.2 Å²	53.2	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	-66.5	173.4	-171.9	0	0	0	0	0	115.9	I123 K140	G118-I123 WeakPolarHBondContact O-CD1 3.31Å; G118-K140 WeakPolarHBondContact O-CE 3.43Å; G118-K140 PolarHBondContact O-NZ 2.86Å
119	F	94.6	Very high	94.8	Very high	164 Å²	164	57.9 Å²	57.9	72%	0.719	32%	0.324	S	S	*	.			trans	-80.9	153.9	173	-63.5	-75.4	0	0	0	111.2	R121 D122 I123	F119-R121 PolarHBondContact O-N 3.03Å; F119-R121 VanDerWaalsContact O-N 3.07Å; F119-D122 PolarHBondContact O-N 3.33Å; F119-I123 WeakPolarHBondContact O-CG1 3.49Å; F119-I123 PolarHBondContact O-N 2.88Å
120	S	96.3	Very high	94.8	Very high	22 Å²	22	61.3 Å²	61.3	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-50.8	-38.1	-176.9	-49.6	0	0	0	0	114.1	A56 E124 S139 K140	A56-S120 WeakPolarHBondContact O-CB 3.39Å; S120-E124 PolarHBondContact O-N 2.91Å; S120-E124 VanDerWaalsContact O-N 3.09Å; S120-S139 VanDerWaalsContact OG-CA 3.3Å; S120-S139 WeakPolarHBondContact OG-CA 3.39Å; S120-K140 PolarHBondContact OG-N 2.99Å
121	R	96.2	Very high	94.9	Very high	167 Å²	167	62.7 Å²	62.7	63%	0.63	35%	0.345	S	S	*	.	H	α-helix	trans	-68.2	-41.2	179.3	-68.1	-177.2	60.6	-170.3	-5.1	112.5	A56 F119 E124 A125	A56-R121 WeakPolarHBondContact O-CG 3.22Å; F119-R121 PolarHBondContact O-N 3.03Å; F119-R121 VanDerWaalsContact O-N 3.07Å; R121-E124 PolarHBondContact O-N 3.44Å; R121-A125 WeakPolarHBondContact O-CB 3.3Å; R121-A125 PolarHBondContact O-N 3.19Å
122	D	96.6	Very high	94.9	Very high	95 Å²	95	61.5 Å²	61.5	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-72.5	-36.8	-178	-55	-33.9	0	0	0	110.4	F119 A125 F126	F119-D122 PolarHBondContact O-N 3.33Å; D122-A125 PolarHBondContact O-N 3.46Å; D122-F126 VanDerWaalsContact O-CB 3.3Å; D122-F126 WeakPolarHBondContact O-CB 3.29Å; D122-F126 PolarHBondContact O-N 3.35Å
123	I	97.6	Very high	95	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-50.8	172.5	-68.5	161.1	0	0	0	111	P108 E116 G118 F119 A125 F126 A127 F137 K140	P108-I123 HydrophobicContact CB-CD1 4.05Å; P108-I123 HydrophobicContact CB-CG2 3.95Å; P108-I123 HydrophobicContact CG-CG2 3.66Å; E116-I123 HydrophobicContact CG-CD1 3.5Å; E116-I123 HydrophobicContact CG-CG1 4.12Å; E116-I123 WeakPolarHBondContact OE1-CG1 3.44Å; E116-I123 WeakPolarHBondContact OE1-CG2 3.46Å; G118-I123 WeakPolarHBondContact O-CD1 3.31Å; F119-I123 WeakPolarHBondContact O-CG1 3.49Å; F119-I123 PolarHBondContact O-N 2.88Å; I123-A125 VanDerWaalsContact C-N 3.33Å; I123-A125 PolarHBondContact O-N 2.9Å; I123-F126 PolarHBondContact O-N 2.87Å; I123-A127 PolarHBondContact O-N 2.96Å; I123-F137 HydrophobicContact CG2-CD1 4.2Å; I123-F137 HydrophobicContact CG2-CE1 4.19Å; I123-K140 HydrophobicContact CD1-CB 4.47Å; I123-K140 HydrophobicContact CD1-CD 4.23Å
124	E	97.6	Very high	95.3	Very high	34 Å²	34	63.4 Å²	63.4	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-44.7	177	179.8	-176.1	-151.6	0	0	110.8	A56 S120 R121 A127 K128 F137	A56-E124 HydrophobicContact CB-CB 3.99Å; A56-E124 HydrophobicContact CB-CG 4.45Å; A56-E124 WeakPolarHBondContact CB-OE2 3.46Å; S120-E124 PolarHBondContact O-N 2.91Å; S120-E124 VanDerWaalsContact O-N 3.09Å; R121-E124 PolarHBondContact O-N 3.44Å; E124-A127 PolarHBondContact O-N 3.42Å; E124-K128 VanDerWaalsContact CD-NZ 3.32Å; E124-K128 HydrophobicContact CG-CD 4.05Å; E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 VanDerWaalsContact O-CG 3.29Å; E124-K128 WeakPolarHBondContact O-CG 3.45Å; E124-K128 PolarHBondContact O-N 3.02Å; E124-K128 VanDerWaalsContact OE1-CE 3.32Å; E124-K128 WeakPolarHBondContact OE1-CE 3.35Å; E124-K128 IonicContact OE1-NZ 3.27Å; E124-K128 PolarHBondContact OE1-NZ 3Å; E124-F137 HydrophobicContact CB-CB 4Å; E124-F137 HydrophobicContact CB-CD1 4.49Å; E124-F137 HydrophobicContact CB-CG 4.27Å; E124-F137 HydrophobicContact CG-CB 3.92Å; E124-F137 HydrophobicContact CG-CG 4.23Å
125	A	97.3	Very high	95.7	Very high	54 Å²	54	56.8 Å²	56.8	45%	0.446	32%	0.318	S	S	.	.	H	α-helix	trans	-61.2	-47	179.2	0	0	0	0	0	111.6	R121 D122 I123 A127 K128 S129	R121-A125 WeakPolarHBondContact O-CB 3.3Å; R121-A125 PolarHBondContact O-N 3.19Å; D122-A125 PolarHBondContact O-N 3.46Å; I123-A125 VanDerWaalsContact C-N 3.33Å; I123-A125 PolarHBondContact O-N 2.9Å; A125-A127 PolarHBondContact O-N 2.95Å; A125-K128 PolarHBondContact O-N 2.84Å; A125-S129 WeakPolarHBondContact O-CB 3.48Å; A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 PolarHBondContact O-OG 2.83Å; A125-S129 VanDerWaalsContact O-OG 3.05Å
126	F	96.9	Very high	96	Very high	60 Å²	60	58 Å²	58	26%	0.263	33%	0.326	S	S	.	.	H	α-helix	trans	-57	-50.7	176.4	167.5	-100.9	0	0	0	111.6	D122 I123 K128 S129 T130 Y131	D122-F126 VanDerWaalsContact O-CB 3.3Å; D122-F126 WeakPolarHBondContact O-CB 3.29Å; D122-F126 PolarHBondContact O-N 3.35Å; I123-F126 PolarHBondContact O-N 2.87Å; F126-K128 VanDerWaalsContact C-N 3.26Å; F126-K128 PolarHBondContact O-N 2.83Å; F126-S129 PolarHBondContact O-N 2.87Å; F126-S129 PolarHBondContact O-OG 3.25Å; F126-T130 WeakPolarHBondContact CD2-OG1 3.45Å; F126-T130 HydrophobicContact CE2-CG2 4.25Å; F126-T130 WeakPolarHBondContact CE2-OG1 3.45Å; F126-T130 HydrophobicContact CZ-CG2 4.35Å; F126-T130 WeakPolarHBondContact O-CB 2.96Å; F126-T130 PolarHBondContact O-N 3.29Å; F126-T130 PolarHBondContact O-OG1 3.15Å; F126-Y131 AromaticContact CE1-CE2 3.77Å; F126-Y131 HydrophobicContact CE1-CE2 3.77Å; F126-Y131 AromaticContact CZ-CE2 3.93Å; F126-Y131 HydrophobicContact CZ-CE2 3.93Å
127	A	97.1	Very high	96.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-38.2	-178.2	0	0	0	0	0	111.5	Y87 I123 E124 A125 Y131 V133 F137	Y87-A127 HydrophobicContact CE1-CB 4.35Å; Y87-A127 HydrophobicContact CE2-CB 4.31Å; I123-A127 PolarHBondContact O-N 2.96Å; E124-A127 PolarHBondContact O-N 3.42Å; A125-A127 PolarHBondContact O-N 2.95Å; A127-Y131 WeakPolarHBondContact O-CB 3.24Å; A127-Y131 PolarHBondContact O-N 3.26Å; A127-V133 HydrophobicContact CB-CG2 3.75Å; A127-F137 HydrophobicContact CB-CE1 3.85Å; A127-F137 HydrophobicContact CB-CE2 4.05Å; A127-F137 HydrophobicContact CB-CZ 3.37Å
128	K	97.3	Very high	96.6	Very high	91 Å²	91	53.9 Å²	53.9	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-69.3	-48.7	177	-73.4	-177.9	-178.7	175.6	0	112.9	E124 A125 F126 T130 G132 V133	E124-K128 VanDerWaalsContact CD-NZ 3.32Å; E124-K128 HydrophobicContact CG-CD 4.05Å; E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 VanDerWaalsContact O-CG 3.29Å; E124-K128 WeakPolarHBondContact O-CG 3.45Å; E124-K128 PolarHBondContact O-N 3.02Å; E124-K128 VanDerWaalsContact OE1-CE 3.32Å; E124-K128 WeakPolarHBondContact OE1-CE 3.35Å; E124-K128 IonicContact OE1-NZ 3.27Å; E124-K128 PolarHBondContact OE1-NZ 3Å; A125-K128 PolarHBondContact O-N 2.84Å; F126-K128 VanDerWaalsContact C-N 3.26Å; F126-K128 PolarHBondContact O-N 2.83Å; K128-T130 VanDerWaalsContact C-N 3.35Å; K128-G132 WeakPolarHBondContact O-CA 3.29Å; K128-G132 PolarHBondContact O-N 2.9Å; K128-V133 HydrophobicContact CG-CG2 3.92Å; K128-V133 WeakPolarHBondContact CG-O 3.2Å
129	S	97.5	Very high	97	Very high	98 Å²	98	53.4 Å²	53.4	69%	0.685	29%	0.291	S	S	*	.	H	α-helix	trans	-68.2	-36.4	-177.3	60.7	0	0	0	0	112.2	A125 F126	A125-S129 WeakPolarHBondContact O-CB 3.48Å; A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 PolarHBondContact O-OG 2.83Å; A125-S129 VanDerWaalsContact O-OG 3.05Å; F126-S129 PolarHBondContact O-N 2.87Å; F126-S129 PolarHBondContact O-OG 3.25Å
130	T	97.2	Very high	97.2	Very high	72 Å²	72	49.3 Å²	49.3	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-88.7	-38.7	-172.3	-52.7	0	0	0	0	112.3	F126 K128	F126-T130 WeakPolarHBondContact CD2-OG1 3.45Å; F126-T130 HydrophobicContact CE2-CG2 4.25Å; F126-T130 WeakPolarHBondContact CE2-OG1 3.45Å; F126-T130 HydrophobicContact CZ-CG2 4.35Å; F126-T130 WeakPolarHBondContact O-CB 2.96Å; F126-T130 PolarHBondContact O-N 3.29Å; F126-T130 PolarHBondContact O-OG1 3.15Å; K128-T130 VanDerWaalsContact C-N 3.35Å
131	Y	97.4	Very high	97.3	Very high	47 Å²	47	49 Å²	49	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-119.6	-2	-172.5	-53	-69.8	0	0	0	113.9	T83 E84 Y87 F126 A127 V133	T83-Y131 HydrophobicContact CG2-CE2 4.08Å; E84-Y131 HydrophobicContact CB-CE1 4.14Å; E84-Y131 HydrophobicContact CG-CE1 4.07Å; Y87-Y131 AromaticContact CD2-CD2 3.47Å; Y87-Y131 HydrophobicContact CD2-CD2 3.47Å; Y87-Y131 VanDerWaalsContact CD2-CD2 3.47Å; Y87-Y131 AromaticContact CD2-CE2 3.46Å; Y87-Y131 HydrophobicContact CD2-CE2 3.46Å; Y87-Y131 VanDerWaalsContact CD2-CE2 3.46Å; Y87-Y131 HydrophobicContact CD2-CG 4.3Å; Y87-Y131 HydrophobicContact CE2-CD2 4.26Å; Y87-Y131 HydrophobicContact CE2-CE2 4.13Å; Y87-Y131 AromaticContact CG-CD2 3.91Å; Y87-Y131 HydrophobicContact CG-CD2 3.91Å; Y87-Y131 HydrophobicContact CG-CE2 4.31Å; Y87-Y131 HydrophobicContact CG-CG 4.37Å; F126-Y131 AromaticContact CE1-CE2 3.77Å; F126-Y131 HydrophobicContact CE1-CE2 3.77Å; F126-Y131 AromaticContact CZ-CE2 3.93Å; F126-Y131 HydrophobicContact CZ-CE2 3.93Å; A127-Y131 WeakPolarHBondContact O-CB 3.24Å; A127-Y131 PolarHBondContact O-N 3.26Å; Y131-V133 PolarHBondContact O-N 3.32Å
132	G	96.9	Very high	97.4	Very high	44 Å²	44	45.6 Å²	45.6	45%	0.454	26%	0.259	S	S	.	.			trans	64.4	27.9	179.3	0	0	0	0	0	113.5	Q91 K128	Q91-G132 PolarHBondContact NE2-O 2.99Å; K128-G132 WeakPolarHBondContact O-CA 3.29Å; K128-G132 PolarHBondContact O-N 2.9Å
133	V	96.9	Very high	97.4	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.03	24%	0.237	C	C	.	.			trans	-65.1	137.7	-178.4	-56.7	0	0	0	0	111.3	Y87 Q91 A127 K128 Y131 F135 F137	Y87-V133 HydrophobicContact CD1-CG1 4.14Å; Y87-V133 HydrophobicContact CG-CG1 4.46Å; Q91-V133 HydrophobicContact CB-CG1 4.31Å; Q91-V133 VanDerWaalsContact OE1-CA 3.29Å; A127-V133 HydrophobicContact CB-CG2 3.75Å; K128-V133 HydrophobicContact CG-CG2 3.92Å; K128-V133 WeakPolarHBondContact CG-O 3.2Å; Y131-V133 PolarHBondContact O-N 3.32Å; V133-F135 HydrophobicContact CB-CD1 4.23Å; V133-F135 HydrophobicContact CB-CE1 3.74Å; V133-F135 HydrophobicContact CB-CE2 4.24Å; V133-F135 HydrophobicContact CB-CZ 3.75Å; V133-F135 HydrophobicContact CG1-CE1 3.76Å; V133-F135 HydrophobicContact CG1-CE2 4.45Å; V133-F135 HydrophobicContact CG1-CZ 3.62Å; V133-F135 HydrophobicContact CG2-CZ 4.49Å; V133-F137 HydrophobicContact CB-CE2 4.43Å; V133-F137 HydrophobicContact CG2-CD2 4.46Å; V133-F137 HydrophobicContact CG2-CE2 3.57Å; V133-F137 HydrophobicContact CG2-CZ 4.16Å
134	T	96.3	Very high	97.4	Very high	97 Å²	97	44.3 Å²	44.3	60%	0.595	25%	0.252	S	S	*	.			trans	-115.4	-10	-179.5	57.7	0	0	0	0	113.3	Q91 H94	Q91-T134 PolarHBondContact NE2-OG1 3.37Å; H94-T134 PolarHBondContact CD2-OG1 3.31Å
135	F	96.6	Very high	97.3	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	27%	0.272	C	S	.	.	S	Bend	trans	-73.5	155.3	176.5	50.9	-101.1	0	0	0	112.4	Y87 L90 Q91 H94 V104 A106 V133 F137	Y87-F135 HydrophobicContact CD1-CZ 4.07Å; Y87-F135 HydrophobicContact CE1-CZ 4.47Å; L90-F135 HydrophobicContact CB-CE1 4.07Å; L90-F135 HydrophobicContact CB-CZ 4.19Å; Q91-F135 HydrophobicContact CB-CE1 4.16Å; Q91-F135 VanDerWaalsContact OE1-CD1 3.29Å; H94-F135 HydrophobicContact CB-CD1 3.95Å; V104-F135 HydrophobicContact CB-CB 3.83Å; V104-F135 HydrophobicContact CB-CD1 4.03Å; V104-F135 HydrophobicContact CB-CD2 4.16Å; V104-F135 HydrophobicContact CB-CG 3.76Å; V104-F135 HydrophobicContact CG1-CB 4.43Å; V104-F135 HydrophobicContact CG1-CD1 4.22Å; V104-F135 HydrophobicContact CG1-CD2 3.82Å; V104-F135 HydrophobicContact CG1-CE1 4.42Å; V104-F135 HydrophobicContact CG1-CE2 4.04Å; V104-F135 HydrophobicContact CG1-CG 3.92Å; V104-F135 HydrophobicContact CG1-CZ 4.33Å; V104-F135 WeakPolarHBondContact O-CB 3.37Å; A106-F135 HydrophobicContact CB-CD2 4.07Å; A106-F135 HydrophobicContact CB-CE2 3.84Å; V133-F135 HydrophobicContact CB-CD1 4.23Å; V133-F135 HydrophobicContact CB-CE1 3.74Å; V133-F135 HydrophobicContact CB-CE2 4.24Å; V133-F135 HydrophobicContact CB-CZ 3.75Å; V133-F135 HydrophobicContact CG1-CE1 3.76Å; V133-F135 HydrophobicContact CG1-CE2 4.45Å; V133-F135 HydrophobicContact CG1-CZ 3.62Å; V133-F135 HydrophobicContact CG2-CZ 4.49Å; F135-F137 HydrophobicContact CD2-CD2 4.21Å; F135-F137 AromaticContact CD2-CE2 3.78Å; F135-F137 HydrophobicContact CD2-CE2 3.78Å; F135-F137 HydrophobicContact CE2-CD2 4.21Å; F135-F137 AromaticContact CE2-CE2 3.36Å; F135-F137 HydrophobicContact CE2-CE2 3.36Å; F135-F137 AromaticContact CE2-CZ 3.93Å; F135-F137 HydrophobicContact CE2-CZ 3.93Å; F135-F137 HydrophobicContact CZ-CE2 4.27Å
136	P	96.6	Very high	97.2	Very high	38 Å²	38	49.6 Å²	49.6	25%	0.247	29%	0.292	C	S	.	.			trans	-67	137.2	-177.2	27.3	-38.3	0	0	0	113.4	Y66 V104 L105 A106	Y66-P136 HydrophobicContact CE1-CG 4.31Å; Y66-P136 WeakPolarHBondContact OH-CG 3.43Å; V104-P136 VanDerWaalsContact O-CD 3.28Å; V104-P136 WeakPolarHBondContact O-CD 3.25Å; V104-P136 WeakPolarHBondContact O-CG 3.4Å; L105-P136 HydrophobicContact CD2-CG 3.53Å; A106-P136 PolarHBondContact N-O 2.72Å; A106-P136 VanDerWaalsContact N-O 3.08Å
137	F	98.1	Very high	97.1	Very high	6 Å²	6	53 Å²	53	3%	0.026	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-105	136.8	166.5	-83.5	-115.1	0	0	0	110.4	A56 V76 Y87 A106 P108 I123 E124 A127 V133 F135	A56-F137 PolarHBondContact N-O 3.05Å; V76-F137 HydrophobicContact CG2-CD1 4.48Å; V76-F137 HydrophobicContact CG2-CE1 3.9Å; Y87-F137 HydrophobicContact CD1-CZ 4.49Å; Y87-F137 HydrophobicContact CE1-CE1 4.2Å; Y87-F137 AromaticContact CE1-CZ 3.56Å; Y87-F137 HydrophobicContact CE1-CZ 3.56Å; Y87-F137 AromaticContact CZ-CZ 3.94Å; A106-F137 HydrophobicContact CB-CD1 4.05Å; A106-F137 HydrophobicContact CB-CD2 3.95Å; A106-F137 HydrophobicContact CB-CE1 4.04Å; A106-F137 HydrophobicContact CB-CE2 3.92Å; A106-F137 HydrophobicContact CB-CG 4.01Å; A106-F137 HydrophobicContact CB-CZ 3.97Å; P108-F137 HydrophobicContact CG-CD1 4Å; I123-F137 HydrophobicContact CG2-CD1 4.2Å; I123-F137 HydrophobicContact CG2-CE1 4.19Å; E124-F137 HydrophobicContact CB-CB 4Å; E124-F137 HydrophobicContact CB-CD1 4.49Å; E124-F137 HydrophobicContact CB-CG 4.27Å; E124-F137 HydrophobicContact CG-CB 3.92Å; E124-F137 HydrophobicContact CG-CG 4.23Å; A127-F137 HydrophobicContact CB-CE1 3.85Å; A127-F137 HydrophobicContact CB-CE2 4.05Å; A127-F137 HydrophobicContact CB-CZ 3.37Å; V133-F137 HydrophobicContact CB-CE2 4.43Å; V133-F137 HydrophobicContact CG2-CD2 4.46Å; V133-F137 HydrophobicContact CG2-CE2 3.57Å; V133-F137 HydrophobicContact CG2-CZ 4.16Å; F135-F137 HydrophobicContact CD2-CD2 4.21Å; F135-F137 AromaticContact CD2-CE2 3.78Å; F135-F137 HydrophobicContact CD2-CE2 3.78Å; F135-F137 HydrophobicContact CE2-CD2 4.21Å; F135-F137 AromaticContact CE2-CE2 3.36Å; F135-F137 HydrophobicContact CE2-CE2 3.36Å; F135-F137 AromaticContact CE2-CZ 3.93Å; F135-F137 HydrophobicContact CE2-CZ 3.93Å; F135-F137 HydrophobicContact CZ-CE2 4.27Å
138	F	98.6	Very high	97.2	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-96.7	174.8	172	-63	-74.1	0	0	0	110.9	V53 K54 L63 Y66 L105 A106 F107 P108	V53-F138 HydrophobicContact CB-CD1 4.31Å; V53-F138 HydrophobicContact CG2-CD1 3.29Å; V53-F138 HydrophobicContact CG2-CE1 3.36Å; V53-F138 HydrophobicContact CG2-CG 4.07Å; V53-F138 HydrophobicContact CG2-CZ 4.2Å; K54-F138 CarbonylContact O-C 3.53Å; K54-F138 WeakPolarHBondContact O-CA 3.27Å; K54-F138 WeakPolarHBondContact O-CB 3.47Å; L63-F138 HydrophobicContact CD2-CE1 4.04Å; L63-F138 HydrophobicContact CD2-CZ 3.76Å; Y66-F138 AromaticContact CE2-CZ 3.92Å; Y66-F138 HydrophobicContact CE2-CZ 3.92Å; L105-F138 HydrophobicContact CB-CE2 3.9Å; L105-F138 HydrophobicContact CD2-CE2 3.96Å; L105-F138 HydrophobicContact CD2-CZ 4.14Å; L105-F138 HydrophobicContact CG-CE2 4.33Å; A106-F138 WeakPolarHBondContact O-CD2 3.35Å; A106-F138 PolarHBondContact O-N 3.31Å; F107-F138 HydrophobicContact CD1-CB 3.89Å; F107-F138 HydrophobicContact CD1-CD2 4.11Å; F107-F138 HydrophobicContact CD1-CG 4.24Å; F107-F138 AromaticContact CD2-CD2 3.92Å; F107-F138 HydrophobicContact CD2-CD2 3.92Å; F107-F138 HydrophobicContact CD2-CE2 4.49Å; F107-F138 HydrophobicContact CE1-CB 3.88Å; F107-F138 AromaticContact CE1-CD2 3.75Å; F107-F138 HydrophobicContact CE1-CD2 3.75Å; F107-F138 AromaticContact CE1-CG 3.82Å; F107-F138 HydrophobicContact CE1-CG 3.82Å; F107-F138 AromaticContact CE2-CD2 3.53Å; F107-F138 HydrophobicContact CE2-CD2 3.53Å; F107-F138 AromaticContact CE2-CE2 3.78Å; F107-F138 HydrophobicContact CE2-CE2 3.78Å; F107-F138 HydrophobicContact CE2-CG 4.42Å; F107-F138 HydrophobicContact CG-CB 4.48Å; F107-F138 HydrophobicContact CG-CD2 4.2Å; F107-F138 HydrophobicContact CZ-CB 4.46Å; F107-F138 AromaticContact CZ-CD2 3.44Å; F107-F138 HydrophobicContact CZ-CD2 3.44Å; F107-F138 VanDerWaalsContact CZ-CD2 3.44Å; F107-F138 AromaticContact CZ-CE2 3.79Å; F107-F138 HydrophobicContact CZ-CE2 3.79Å; F107-F138 AromaticContact CZ-CG 3.93Å; F107-F138 HydrophobicContact CZ-CG 3.93Å; P108-F138 WeakPolarHBondContact CD-O 3.42Å
139	S	98.3	Very high	97.2	Very high	18 Å²	18	51.4 Å²	51.4	13%	0.126	31%	0.305	C	S	.	.			trans	-58.2	151.6	169.2	-84.1	0	0	0	0	110.9	K54 D55 S120 I141	K54-S139 WeakPolarHBondContact CB-OG 3.18Å; K54-S139 PolarHBondContact O-N 3.04Å; D55-S139 PolarHBondContact O-N 2.9Å; D55-S139 PolarHBondContact O-OG 3.49Å; S120-S139 VanDerWaalsContact OG-CA 3.3Å; S120-S139 WeakPolarHBondContact OG-CA 3.39Å; S139-I141 WeakPolarHBondContact O-CG2 3.36Å; S139-I141 PolarHBondContact O-N 3.05Å
140	K	98.3	Very high	97.2	Very high	77 Å²	77	50.1 Å²	50.1	34%	0.335	29%	0.294	S	S	.	.			trans	-57.1	129.2	168.5	-176	166.7	72.2	-177	0	109.5	P108 E116 P117 G118 S120 I123	P108-K140 HydrophobicContact CB-CB 4.28Å; P108-K140 HydrophobicContact CB-CG 4.46Å; P108-K140 CarbonylContact O-C 3.43Å; P108-K140 WeakPolarHBondContact O-CA 3.38Å; E116-K140 HydrophobicContact CG-CD 4.17Å; E116-K140 WeakPolarHBondContact O-CD 3.25Å; E116-K140 PolarHBondContact O-NZ 2.83Å; P117-K140 PolarHBondContact O-NZ 3.08Å; G118-K140 WeakPolarHBondContact O-CE 3.43Å; G118-K140 PolarHBondContact O-NZ 2.86Å; S120-K140 PolarHBondContact OG-N 2.99Å; I123-K140 HydrophobicContact CD1-CB 4.47Å; I123-K140 HydrophobicContact CD1-CD 4.23Å
141	I	98.3	Very high	97.3	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.082	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-115.5	166.2	-176.9	61.4	162.6	0	0	0	111.7	F107 P108 S139 I143 E149 F152	F107-I141 HydrophobicContact CB-CD1 3.76Å; F107-I141 HydrophobicContact CB-CG1 4.12Å; F107-I141 HydrophobicContact CD1-CD1 3.86Å; F107-I141 HydrophobicContact CD1-CG1 4.41Å; F107-I141 HydrophobicContact CD1-CG2 4.03Å; F107-I141 HydrophobicContact CG-CD1 4.13Å; P108-I141 PolarHBondContact O-N 3.4Å; S139-I141 WeakPolarHBondContact O-CG2 3.36Å; S139-I141 PolarHBondContact O-N 3.05Å; I141-I143 HydrophobicContact CD1-CD1 4.25Å; I141-I143 HydrophobicContact CD1-CG1 3.74Å; I141-I143 HydrophobicContact CG1-CG1 4.22Å; I141-E149 HydrophobicContact CB-CB 3.86Å; I141-E149 HydrophobicContact CB-CG 4.41Å; I141-E149 HydrophobicContact CD1-CB 4Å; I141-E149 HydrophobicContact CD1-CG 4.4Å; I141-E149 HydrophobicContact CG2-CB 3.91Å; I141-E149 HydrophobicContact CG2-CG 3.92Å; I141-F152 HydrophobicContact CD1-CB 3.71Å; I141-F152 HydrophobicContact CD1-CD2 3.53Å; I141-F152 HydrophobicContact CD1-CE2 4.38Å; I141-F152 HydrophobicContact CD1-CG 3.77Å
142	K	97.9	Very high	97.3	Very high	96 Å²	96	44.5 Å²	44.5	42%	0.417	27%	0.265	S	S	.	.			trans	-97.3	137.8	158	-66.1	-178	178.5	-178.1	0	108.8	E147 A148 E149	K142-E147 HydrophobicContact CD-CB 3.93Å; K142-E147 IonicContact NZ-OE2 2.65Å; K142-E147 PolarHBondContact NZ-OE2 3.32Å; K142-A148 CarbonylContact O-C 3.58Å; K142-A148 WeakPolarHBondContact O-CA 3.07Å; K142-E149 PolarHBondContact O-N 3.5Å
143	I	97.8	Very high	97.4	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.051	27%	0.266	C	S	.	.			trans	-104.8	-32.2	173.3	-68.3	173.7	0	0	0	110.2	N75 C109 F112 I141 A148 F152 P163	N75-I143 HydrophobicContact CB-CD1 3.38Å; C109-I143 HydrophobicContact CB-CD1 3.86Å; C109-I143 HydrophobicContact CB-CG1 4.4Å; F112-I143 HydrophobicContact CE2-CD1 4.11Å; F112-I143 HydrophobicContact CZ-CB 4.48Å; F112-I143 HydrophobicContact CZ-CG2 4.37Å; I141-I143 HydrophobicContact CD1-CD1 4.25Å; I141-I143 HydrophobicContact CD1-CG1 3.74Å; I141-I143 HydrophobicContact CG1-CG1 4.22Å; I143-A148 WeakPolarHBondContact O-CB 3.36Å; I143-F152 HydrophobicContact CB-CD1 4.37Å; I143-F152 HydrophobicContact CD1-CD1 3.92Å; I143-F152 HydrophobicContact CD1-CD2 4.21Å; I143-F152 HydrophobicContact CD1-CE1 3.62Å; I143-F152 HydrophobicContact CD1-CE2 3.9Å; I143-F152 HydrophobicContact CD1-CG 4.22Å; I143-F152 HydrophobicContact CD1-CZ 3.6Å; I143-F152 HydrophobicContact CG1-CD1 3.72Å; I143-F152 HydrophobicContact CG1-CD2 4.32Å; I143-F152 HydrophobicContact CG1-CE1 3.94Å; I143-F152 HydrophobicContact CG1-CE2 4.49Å; I143-F152 HydrophobicContact CG1-CG 3.94Å; I143-F152 HydrophobicContact CG1-CZ 4.32Å; I143-F152 HydrophobicContact CG2-CD1 3.91Å; I143-F152 HydrophobicContact CG2-CE1 3.95Å; I143-P163 HydrophobicContact CG2-CG 4.06Å
144	L	96.4	Very high	97.4	Very high	62 Å²	62	50 Å²	50	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-101.3	150.3	179.3	-48.5	178.2	0	0	0	110.9	Q111 F112 I162	Q111-L144 HydrophobicContact CB-CD1 4.37Å; Q111-L144 PolarHBondContact NE2-O 3.28Å; F112-L144 HydrophobicContact CE1-CD1 4.05Å; F112-L144 HydrophobicContact CE1-CG 4.41Å; F112-L144 HydrophobicContact CZ-CG 4.4Å; L144-I162 HydrophobicContact CD2-CG2 3.28Å
145	G	95.8	Very high	97.6	Very high	56 Å²	56	45.3 Å²	45.3	58%	0.577	24%	0.244	S	C	*	.	S	Bend	trans	90.9	-175.6	173	0	0	0	0	0	114.4	E147 A148	G145-E147 VanDerWaalsContact C-N 3.26Å; G145-E147 PolarHBondContact O-N 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.21Å; G145-A148 PolarHBondContact O-N 3.05Å
146	T	95.1	Very high	97.6	Very high	144 Å²	144	45.6 Å²	45.6	88%	0.883	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.2	-177.7	47.7	0	0	0	0	113.2	A148	T146-A148 VanDerWaalsContact C-N 3.31Å
147	E	95.9	Very high	97.6	Very high	132 Å²	132	47.3 Å²	47.3	62%	0.617	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	16.3	178.2	-60.4	-176.1	145	0	0	112.9	K142 G145 E149	K142-E147 HydrophobicContact CD-CB 3.93Å; K142-E147 IonicContact NZ-OE2 2.65Å; K142-E147 PolarHBondContact NZ-OE2 3.32Å; G145-E147 VanDerWaalsContact C-N 3.26Å; G145-E147 PolarHBondContact O-N 3.31Å; E147-E149 PolarHBondContact O-N 2.98Å
148	A	97.3	Very high	97.6	Very high	13 Å²	13	49.8 Å²	49.8	11%	0.107	27%	0.271	C	S	.	.			trans	-59.3	134.3	177.3	0	0	0	0	0	111.2	K142 I143 G145 T146 P150	K142-A148 CarbonylContact O-C 3.58Å; K142-A148 WeakPolarHBondContact O-CA 3.07Å; I143-A148 WeakPolarHBondContact O-CB 3.36Å; G145-A148 WeakPolarHBondContact O-CB 3.21Å; G145-A148 PolarHBondContact O-N 3.05Å; T146-A148 VanDerWaalsContact C-N 3.31Å; A148-P150 WeakPolarHBondContact O-CD 3.33Å
149	E	98.3	Very high	97.5	Very high	43 Å²	43	51 Å²	51	20%	0.201	28%	0.279	C	S	.	.			trans	-56.1	119.8	179	174.7	58.4	-131.4	0	0	110.1	I141 K142 E147 A151 F152 R153	I141-E149 HydrophobicContact CB-CB 3.86Å; I141-E149 HydrophobicContact CB-CG 4.41Å; I141-E149 HydrophobicContact CD1-CB 4Å; I141-E149 HydrophobicContact CD1-CG 4.4Å; I141-E149 HydrophobicContact CG2-CB 3.91Å; I141-E149 HydrophobicContact CG2-CG 3.92Å; K142-E149 PolarHBondContact O-N 3.5Å; E147-E149 PolarHBondContact O-N 2.98Å; E149-A151 HydrophobicContact CG-CB 4.26Å; E149-A151 PolarHBondContact O-N 3.03Å; E149-A151 VanDerWaalsContact O-N 3.15Å; E149-F152 HydrophobicContact CB-CB 4.25Å; E149-F152 HydrophobicContact CG-CB 4.46Å; E149-F152 PolarHBondContact O-N 2.82Å; E149-R153 PolarHBondContact O-N 3.06Å
150	P	98	Very high	97.5	Very high	71 Å²	71	57.5 Å²	57.5	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-55.3	-36.7	-175.1	-30.2	36.2	0	0	0	114.3	F51 A148 R153 F154	F51-P150 HydrophobicContact CD1-CB 4.06Å; F51-P150 HydrophobicContact CE1-CB 3.8Å; F51-P150 WeakPolarHBondContact CE1-O 3.49Å; A148-P150 WeakPolarHBondContact O-CD 3.33Å; P150-R153 PolarHBondContact O-N 3.38Å; P150-F154 PolarHBondContact O-N 2.8Å
151	A	98.3	Very high	97.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-41.2	177.1	0	0	0	0	0	112	F48 F51 V53 L63 E149	F48-A151 HydrophobicContact CE2-CB 4.28Å; F51-A151 HydrophobicContact CB-CB 3.75Å; F51-A151 HydrophobicContact CD1-CB 4.17Å; F51-A151 HydrophobicContact CD2-CB 4.44Å; F51-A151 HydrophobicContact CG-CB 3.9Å; V53-A151 HydrophobicContact CG1-CB 3.68Å; L63-A151 HydrophobicContact CD1-CB 4.22Å; E149-A151 HydrophobicContact CG-CB 4.26Å; E149-A151 PolarHBondContact O-N 3.03Å; E149-A151 VanDerWaalsContact O-N 3.15Å
152	F	98.4	Very high	97.4	Very high	1 Å²	1	62.5 Å²	62.5	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-75.6	-36.4	178.4	-153	-73.9	0	0	0	111.4	V73 N75 F107 I141 I143 E149 F154 L155 T156 P163 F170	V73-F152 HydrophobicContact CG1-CE2 4.42Å; N75-F152 HydrophobicContact CB-CE2 3.94Å; N75-F152 HydrophobicContact CB-CZ 3.78Å; F107-F152 HydrophobicContact CB-CD2 4.14Å; F107-F152 HydrophobicContact CB-CE2 4.23Å; F107-F152 HydrophobicContact CD2-CD2 4.47Å; F107-F152 HydrophobicContact CG-CD2 4.19Å; I141-F152 HydrophobicContact CD1-CB 3.71Å; I141-F152 HydrophobicContact CD1-CD2 3.53Å; I141-F152 HydrophobicContact CD1-CE2 4.38Å; I141-F152 HydrophobicContact CD1-CG 3.77Å; I143-F152 HydrophobicContact CB-CD1 4.37Å; I143-F152 HydrophobicContact CD1-CD1 3.92Å; I143-F152 HydrophobicContact CD1-CD2 4.21Å; I143-F152 HydrophobicContact CD1-CE1 3.62Å; I143-F152 HydrophobicContact CD1-CE2 3.9Å; I143-F152 HydrophobicContact CD1-CG 4.22Å; I143-F152 HydrophobicContact CD1-CZ 3.6Å; I143-F152 HydrophobicContact CG1-CD1 3.72Å; I143-F152 HydrophobicContact CG1-CD2 4.32Å; I143-F152 HydrophobicContact CG1-CE1 3.94Å; I143-F152 HydrophobicContact CG1-CE2 4.49Å; I143-F152 HydrophobicContact CG1-CG 3.94Å; I143-F152 HydrophobicContact CG1-CZ 4.32Å; I143-F152 HydrophobicContact CG2-CD1 3.91Å; I143-F152 HydrophobicContact CG2-CE1 3.95Å; E149-F152 HydrophobicContact CB-CB 4.25Å; E149-F152 HydrophobicContact CG-CB 4.46Å; E149-F152 PolarHBondContact O-N 2.82Å; F152-F154 VanDerWaalsContact C-N 3.28Å; F152-F154 PolarHBondContact O-N 3.16Å; F152-L155 HydrophobicContact CD2-CD1 4.27Å; F152-L155 HydrophobicContact CE2-CD1 4.44Å; F152-L155 HydrophobicContact CG-CD1 4.41Å; F152-L155 WeakPolarHBondContact O-CA 3.47Å; F152-L155 VanDerWaalsContact O-CB 3.28Å; F152-L155 WeakPolarHBondContact O-CB 3.43Å; F152-L155 PolarHBondContact O-N 3.35Å; F152-T156 HydrophobicContact CD1-CG2 3.95Å; F152-T156 HydrophobicContact CE1-CG2 3.95Å; F152-T156 PolarHBondContact O-N 3.42Å; F152-T156 VanDerWaalsContact O-N 3.15Å; F152-P163 HydrophobicContact CE1-CG 3.82Å; F152-P163 HydrophobicContact CZ-CG 4.28Å; F152-F170 AromaticContact CE1-CE2 3.84Å; F152-F170 HydrophobicContact CE1-CE2 3.84Å; F152-F170 HydrophobicContact CE1-CZ 4.28Å; F152-F170 HydrophobicContact CZ-CD2 4.17Å; F152-F170 AromaticContact CZ-CE2 3.68Å; F152-F170 HydrophobicContact CZ-CE2 3.68Å
153	R	98	Very high	97.3	Very high	124 Å²	124	58.1 Å²	58.1	47%	0.468	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-40.1	173.6	-176.8	175.3	-178.8	134.8	2.2	112	E149 P150 L155 T156 D157	E149-R153 PolarHBondContact O-N 3.06Å; P150-R153 PolarHBondContact O-N 3.38Å; R153-L155 PolarHBondContact O-N 3.02Å; R153-T156 WeakPolarHBondContact CA-OG1 3.22Å; R153-T156 PolarHBondContact O-N 3.4Å; R153-T156 PolarHBondContact O-OG1 3.04Å; R153-D157 WeakPolarHBondContact CG-OD2 3.47Å; R153-D157 IonicContact NE-OD2 2.77Å; R153-D157 PolarHBondContact NE-OD2 3.47Å; R153-D157 VanDerWaalsContact O-CB 3.3Å; R153-D157 WeakPolarHBondContact O-CB 3.46Å; R153-D157 PolarHBondContact O-N 3.47Å
154	F	98.3	Very high	97.3	Very high	40 Å²	40	66 Å²	66	18%	0.175	35%	0.347	C	S	.	.	H	α-helix	trans	-55.8	-39.8	173	173	-91.4	0	0	0	112	K46 F48 F51 P150 F152 S158 V178	K46-F154 WeakPolarHBondContact O-CE2 3.39Å; F48-F154 HydrophobicContact CB-CD1 3.88Å; F48-F154 HydrophobicContact CB-CE1 3.74Å; F48-F154 HydrophobicContact CD2-CD1 4.29Å; F51-F154 HydrophobicContact CE2-CB 3.66Å; F51-F154 HydrophobicContact CE2-CD1 4.36Å; F51-F154 AromaticContact CE2-CD2 3.99Å; F51-F154 HydrophobicContact CE2-CD2 3.99Å; F51-F154 AromaticContact CE2-CG 3.74Å; F51-F154 HydrophobicContact CE2-CG 3.74Å; F51-F154 HydrophobicContact CZ-CB 3.66Å; F51-F154 HydrophobicContact CZ-CD2 4.23Å; F51-F154 HydrophobicContact CZ-CG 4.11Å; P150-F154 PolarHBondContact O-N 2.8Å; F152-F154 VanDerWaalsContact C-N 3.28Å; F152-F154 PolarHBondContact O-N 3.16Å; F154-S158 VanDerWaalsContact O-CB 3.27Å; F154-S158 WeakPolarHBondContact O-CB 3.18Å; F154-S158 PolarHBondContact O-N 3.37Å; F154-S158 PolarHBondContact O-OG 2.86Å; F154-V178 HydrophobicContact CE1-CG2 4.13Å
155	L	98.4	Very high	97.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-49.1	178.4	-57.6	173.2	0	0	0	111.2	F48 V73 F152 R153 S158 V159 F170 V172 V178	F48-L155 HydrophobicContact CB-CD2 4.49Å; F48-L155 HydrophobicContact CD2-CD1 4.31Å; F48-L155 HydrophobicContact CD2-CD2 3.48Å; F48-L155 VanDerWaalsContact CD2-CD2 3.48Å; F48-L155 HydrophobicContact CD2-CG 3.89Å; F48-L155 HydrophobicContact CE2-CD1 3.84Å; F48-L155 HydrophobicContact CE2-CD2 3.85Å; F48-L155 HydrophobicContact CE2-CG 3.92Å; F48-L155 HydrophobicContact CG-CD2 4.02Å; V73-L155 HydrophobicContact CB-CD1 3.79Å; V73-L155 HydrophobicContact CG1-CD1 3.55Å; V73-L155 HydrophobicContact CG2-CD1 4.17Å; F152-L155 HydrophobicContact CD2-CD1 4.27Å; F152-L155 HydrophobicContact CE2-CD1 4.44Å; F152-L155 HydrophobicContact CG-CD1 4.41Å; F152-L155 WeakPolarHBondContact O-CA 3.47Å; F152-L155 VanDerWaalsContact O-CB 3.28Å; F152-L155 WeakPolarHBondContact O-CB 3.43Å; F152-L155 PolarHBondContact O-N 3.35Å; R153-L155 PolarHBondContact O-N 3.02Å; L155-S158 PolarHBondContact O-N 3.38Å; L155-V159 PolarHBondContact O-N 3.49Å; L155-F170 HydrophobicContact CB-CB 4.49Å; L155-F170 HydrophobicContact CB-CD1 3.96Å; L155-F170 HydrophobicContact CB-CE1 4.3Å; L155-F170 HydrophobicContact CB-CG 4.09Å; L155-F170 HydrophobicContact CD1-CB 4.26Å; L155-F170 HydrophobicContact CD1-CD2 4.33Å; L155-F170 HydrophobicContact CD1-CG 4.28Å; L155-F170 HydrophobicContact CD2-CB 4.36Å; L155-V172 HydrophobicContact CD2-CG2 3.67Å; L155-V178 HydrophobicContact CD2-CG2 3.54Å
156	T	97.7	Very high	97.4	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-38.9	-178.2	57	0	0	0	0	112.4	F152 R153 V159 Q160 K161 P163 F170	F152-T156 HydrophobicContact CD1-CG2 3.95Å; F152-T156 HydrophobicContact CE1-CG2 3.95Å; F152-T156 PolarHBondContact O-N 3.42Å; F152-T156 VanDerWaalsContact O-N 3.15Å; R153-T156 WeakPolarHBondContact CA-OG1 3.22Å; R153-T156 PolarHBondContact O-N 3.4Å; R153-T156 PolarHBondContact O-OG1 3.04Å; T156-V159 PolarHBondContact O-N 3.01Å; T156-Q160 WeakPolarHBondContact O-CA 3.25Å; T156-Q160 PolarHBondContact O-N 3.45Å; T156-K161 VanDerWaalsContact CA-O 3.24Å; T156-K161 WeakPolarHBondContact CA-O 3.44Å; T156-K161 WeakPolarHBondContact CB-O 3.5Å; T156-K161 WeakPolarHBondContact CG2-O 3.43Å; T156-K161 PolarHBondContact O-N 2.94Å; T156-P163 HydrophobicContact CG2-CG 4.44Å; T156-F170 HydrophobicContact CG2-CZ 4.26Å
157	D	97.3	Very high	97.6	Very high	74 Å²	74	57.6 Å²	57.6	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-35.9	177.7	-67.8	-4.6	0	0	0	110.5	R153 V159 Q160	R153-D157 WeakPolarHBondContact CG-OD2 3.47Å; R153-D157 IonicContact NE-OD2 2.77Å; R153-D157 PolarHBondContact NE-OD2 3.47Å; R153-D157 VanDerWaalsContact O-CB 3.3Å; R153-D157 WeakPolarHBondContact O-CB 3.46Å; R153-D157 PolarHBondContact O-N 3.47Å; D157-V159 VanDerWaalsContact C-N 3.27Å; D157-V159 PolarHBondContact O-N 2.8Å; D157-Q160 PolarHBondContact O-N 2.94Å; D157-Q160 PolarHBondContact O-NE2 2.68Å
158	S	97.1	Very high	97.7	Very high	58 Å²	58	52 Å²	52	41%	0.406	25%	0.25	S	S	.	.	H	α-helix	trans	-62.2	-33.6	177.8	-65.5	0	0	0	0	113	F154 L155	F154-S158 VanDerWaalsContact O-CB 3.27Å; F154-S158 WeakPolarHBondContact O-CB 3.18Å; F154-S158 PolarHBondContact O-N 3.37Å; F154-S158 PolarHBondContact O-OG 2.86Å; L155-S158 PolarHBondContact O-N 3.38Å
159	V	97	Very high	97.8	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-105.1	-0.8	179.2	-58.5	0	0	0	0	113.6	L155 T156 D157 K161 F170 V178 F181	L155-V159 PolarHBondContact O-N 3.49Å; T156-V159 PolarHBondContact O-N 3.01Å; D157-V159 VanDerWaalsContact C-N 3.27Å; D157-V159 PolarHBondContact O-N 2.8Å; V159-K161 HydrophobicContact CG2-CB 3.94Å; V159-K161 HydrophobicContact CG2-CG 4.38Å; V159-K161 WeakPolarHBondContact O-CG 3.26Å; V159-K161 PolarHBondContact O-N 2.92Å; V159-F170 HydrophobicContact CG2-CD1 4.27Å; V159-F170 HydrophobicContact CG2-CE1 3.77Å; V159-V178 HydrophobicContact CG1-CB 4.32Å; V159-V178 HydrophobicContact CG1-CG1 3.61Å; V159-F181 HydrophobicContact CB-CD1 3.76Å; V159-F181 HydrophobicContact CB-CE1 4.15Å; V159-F181 HydrophobicContact CG1-CD1 3.85Å; V159-F181 HydrophobicContact CG2-CD1 3.95Å; V159-F181 HydrophobicContact CG2-CE1 4.43Å; V159-F181 HydrophobicContact CG2-CG 4.28Å
160	Q	97.3	Very high	97.8	Very high	155 Å²	155	49.5 Å²	49.5	72%	0.724	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.7	-174.9	-59.9	-69.3	-50.9	0	0	112.6	T156 D157	T156-Q160 WeakPolarHBondContact O-CA 3.25Å; T156-Q160 PolarHBondContact O-N 3.45Å; D157-Q160 PolarHBondContact O-N 2.94Å; D157-Q160 PolarHBondContact O-NE2 2.68Å
161	K	97.4	Very high	97.9	Very high	102 Å²	102	46.1 Å²	46.1	44%	0.443	22%	0.215	S	C	.	.			trans	-141.2	133.9	178.5	-58.9	-65.9	169.5	-164.2	0	110.6	T156 V159 W168 F181	T156-K161 VanDerWaalsContact CA-O 3.24Å; T156-K161 WeakPolarHBondContact CA-O 3.44Å; T156-K161 WeakPolarHBondContact CB-O 3.5Å; T156-K161 WeakPolarHBondContact CG2-O 3.43Å; T156-K161 PolarHBondContact O-N 2.94Å; V159-K161 HydrophobicContact CG2-CB 3.94Å; V159-K161 HydrophobicContact CG2-CG 4.38Å; V159-K161 WeakPolarHBondContact O-CG 3.26Å; V159-K161 PolarHBondContact O-N 2.92Å; K161-W168 HydrophobicContact CB-CZ3 4.01Å; K161-F181 HydrophobicContact CB-CE2 4.47Å; K161-F181 HydrophobicContact CB-CZ 4.39Å; K161-F181 HydrophobicContact CG-CE1 4.08Å; K161-F181 HydrophobicContact CG-CE2 4.2Å; K161-F181 HydrophobicContact CG-CZ 3.69Å
162	I	96.7	Very high	97.9	Very high	95 Å²	95	46.1 Å²	46.1	49%	0.487	22%	0.215	S	C	.	.			trans	-105.6	135.4	176.6	-60.4	174.2	0	0	0	108.2	L144 K164	L144-I162 HydrophobicContact CD2-CG2 3.28Å; I162-K164 PolarHBondContact O-N 3.07Å
163	P	97.6	Very high	97.9	Very high	4 Å²	4	47 Å²	47	3%	0.026	22%	0.219	C	C	.	.			trans	-54.6	132.5	174.3	-26.7	34.3	0	0	0	111.7	F112 I143 F152 T156 W168 F170	F112-P163 WeakPolarHBondContact CE1-O 3.35Å; F112-P163 HydrophobicContact CE2-CB 4.36Å; F112-P163 HydrophobicContact CZ-CB 3.85Å; F112-P163 WeakPolarHBondContact CZ-O 3.35Å; I143-P163 HydrophobicContact CG2-CG 4.06Å; F152-P163 HydrophobicContact CE1-CG 3.82Å; F152-P163 HydrophobicContact CZ-CG 4.28Å; T156-P163 HydrophobicContact CG2-CG 4.44Å; P163-W168 HydrophobicContact CB-CB 4.09Å; P163-W168 HydrophobicContact CB-CD2 3.94Å; P163-W168 HydrophobicContact CB-CE3 4.4Å; P163-W168 HydrophobicContact CB-CG 3.78Å; P163-W168 HydrophobicContact CG-CB 4.12Å; P163-W168 HydrophobicContact CG-CD2 4.31Å; P163-W168 HydrophobicContact CG-CE3 4.36Å; P163-W168 HydrophobicContact CG-CG 4.22Å; P163-F170 HydrophobicContact CG-CE2 4.2Å; P163-F170 HydrophobicContact CG-CZ 4.07Å
164	K	96.6	Very high	97.8	Very high	176 Å²	176	41.9 Å²	41.9	77%	0.765	20%	0.201	S	C	*	.	S	Bend	trans	-98.6	-9.6	173.5	-62.6	-171.3	176.5	-172.9	0	112.5	I162 W168	I162-K164 PolarHBondContact O-N 3.07Å; K164-W168 HydrophobicContact CB-CZ2 4.23Å; K164-W168 HydrophobicContact CG-CZ2 4.25Å
165	W	97.8	Very high	97.8	Very high	85 Å²	85	43.8 Å²	43.8	32%	0.322	21%	0.21	S	C	.	.	S	Bend	trans	-157.7	177.2	-178.3	-157.3	-120.9	0	0	0	111.3	N75 C80 H82 F112 W168	N75-W165 PolarHBondContact ND2-O 2.94Å; C80-W165 PolarHBondContact SG-NE1 3.37Å; H82-W165 AromaticContact CD2-NE1 3.79Å; F112-W165 HydrophobicContact CB-CE3 4.09Å; F112-W165 HydrophobicContact CB-CZ3 4.37Å; W165-W168 VanDerWaalsContact O-CD1 3.24Å
166	N	97.9	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	154	174.5	-60.5	-55.6	0	0	0	111.7	A77 F112 T115 T184	A77-N166 HydrophobicContact CB-CB 4.08Å; F112-N166 PolarHBondContact O-ND2 2.76Å; T115-N166 PolarHBondContact OG1-ND2 3.33Å; N166-T184 WeakPolarHBondContact O-CB 3.15Å; N166-T184 VanDerWaalsContact O-CG2 3.29Å; N166-T184 WeakPolarHBondContact O-CG2 3.44Å; N166-T184 PolarHBondContact O-OG1 3.01Å
167	F	98.2	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	35.2	176.7	-50.8	-78.4	0	0	0	115.5	V74 N75 V76 A77 C80 H82 T83 S86 K169 T184	V74-F167 HydrophobicContact CG1-CD1 4.26Å; N75-F167 VanDerWaalsContact O-CA 3.27Å; N75-F167 WeakPolarHBondContact O-CA 3.46Å; N75-F167 PolarHBondContact O-N 3.5Å; V76-F167 HydrophobicContact CB-CE1 4.07Å; V76-F167 HydrophobicContact CG1-CD1 4.3Å; V76-F167 HydrophobicContact CG1-CE1 4.09Å; A77-F167 VanDerWaalsContact O-CZ 3.29Å; A77-F167 WeakPolarHBondContact O-CZ 3.38Å; C80-F167 HydrophobicContact CB-CE2 4.08Å; H82-F167 HydrophobicContact CB-CD2 3.71Å; H82-F167 HydrophobicContact CB-CE2 4Å; T83-F167 HydrophobicContact CG2-CZ 4.43Å; S86-F167 WeakPolarHBondContact OG-CG 3.44Å; F167-K169 PolarHBondContact O-NZ 2.97Å; F167-T184 HydrophobicContact CB-CG2 4.33Å
168	W	98.7	Very high	97.8	Very high	14 Å²	14	46.7 Å²	46.7	5%	0.053	22%	0.221	C	C	.	.			trans	-73.1	145.7	157.5	-75.7	47.9	0	0	0	109.5	V74 N75 K161 P163 K164 W165 F170 F181 W182 R183	V74-W168 WeakPolarHBondContact CA-O 3.46Å; V74-W168 WeakPolarHBondContact CG1-O 3.4Å; N75-W168 PolarHBondContact N-O 2.9Å; N75-W168 WeakPolarHBondContact OD1-CA 3.3Å; N75-W168 VanDerWaalsContact OD1-CB 3.25Å; N75-W168 WeakPolarHBondContact OD1-CB 3.48Å; N75-W168 PolarHBondContact OD1-N 2.61Å; N75-W168 PolarHBondContact OD1-O 3.42Å; N75-W168 VanDerWaalsContact OD1-O 3.1Å; K161-W168 HydrophobicContact CB-CZ3 4.01Å; P163-W168 HydrophobicContact CB-CB 4.09Å; P163-W168 HydrophobicContact CB-CD2 3.94Å; P163-W168 HydrophobicContact CB-CE3 4.4Å; P163-W168 HydrophobicContact CB-CG 3.78Å; P163-W168 HydrophobicContact CG-CB 4.12Å; P163-W168 HydrophobicContact CG-CD2 4.31Å; P163-W168 HydrophobicContact CG-CE3 4.36Å; P163-W168 HydrophobicContact CG-CG 4.22Å; K164-W168 HydrophobicContact CB-CZ2 4.23Å; K164-W168 HydrophobicContact CG-CZ2 4.25Å; W165-W168 VanDerWaalsContact O-CD1 3.24Å; W168-F170 HydrophobicContact CB-CE2 4.06Å; W168-F170 HydrophobicContact CE3-CZ 4.29Å; W168-F181 HydrophobicContact CE3-CD2 4.1Å; W168-F181 HydrophobicContact CE3-CE2 4.46Å; W168-F181 AromaticContact CZ3-CD2 3.96Å; W168-F181 HydrophobicContact CZ3-CD2 3.96Å; W168-F181 AromaticContact CZ3-CE2 3.89Å; W168-F181 HydrophobicContact CZ3-CE2 3.89Å; W168-W182 WeakPolarHBondContact CA-O 3.39Å; W168-R183 HydrophobicContact CD2-CG 4.45Å; W168-R183 HydrophobicContact CH2-CG 3.93Å; W168-R183 HydrophobicContact CZ2-CB 4.38Å; W168-R183 HydrophobicContact CZ2-CG 3.77Å; W168-R183 HydrophobicContact CZ3-CG 4.31Å
169	K	98.8	Very high	97.9	Very high	4 Å²	4	48 Å²	48	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.4	-169	-51.7	164.8	-165.6	70.3	0	108.3	L72 V73 V74 F167 F181 W182 R183 M188 V191	L72-K169 HydrophobicContact CD1-CB 4.03Å; V73-K169 CarbonylContact O-C 3.59Å; V73-K169 WeakPolarHBondContact O-CA 3.5Å; V74-K169 HydrophobicContact CG1-CG 4.25Å; V74-K169 HydrophobicContact CG2-CB 4.41Å; V74-K169 HydrophobicContact CG2-CG 4.13Å; F167-K169 PolarHBondContact O-NZ 2.97Å; K169-F181 CarbonylContact O-C 3.53Å; K169-F181 WeakPolarHBondContact O-CA 3.38Å; K169-F181 WeakPolarHBondContact O-CB 3.39Å; K169-W182 HydrophobicContact CB-CB 4.35Å; K169-W182 HydrophobicContact CB-CE3 4.06Å; K169-W182 HydrophobicContact CD-CB 4.41Å; K169-W182 PolarHBondContact N-O 3.04Å; K169-W182 PolarHBondContact O-N 2.81Å; K169-R183 PolarHBondContact NZ-O 3.33Å; K169-M188 HydrophobicContact CD-SD 4.17Å; K169-V191 HydrophobicContact CD-CG2 3.83Å
170	F	98.9	Very high	97.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.9	179.2	-59.6	-97.8	0	0	0	108.4	V73 F152 L155 T156 V159 P163 W168 V178 F181	V73-F170 HydrophobicContact CB-CB 4.41Å; V73-F170 PolarHBondContact N-O 3.35Å; V73-F170 PolarHBondContact O-N 3.01Å; F152-F170 AromaticContact CE1-CE2 3.84Å; F152-F170 HydrophobicContact CE1-CE2 3.84Å; F152-F170 HydrophobicContact CE1-CZ 4.28Å; F152-F170 HydrophobicContact CZ-CD2 4.17Å; F152-F170 AromaticContact CZ-CE2 3.68Å; F152-F170 HydrophobicContact CZ-CE2 3.68Å; L155-F170 HydrophobicContact CB-CB 4.49Å; L155-F170 HydrophobicContact CB-CD1 3.96Å; L155-F170 HydrophobicContact CB-CE1 4.3Å; L155-F170 HydrophobicContact CB-CG 4.09Å; L155-F170 HydrophobicContact CD1-CB 4.26Å; L155-F170 HydrophobicContact CD1-CD2 4.33Å; L155-F170 HydrophobicContact CD1-CG 4.28Å; L155-F170 HydrophobicContact CD2-CB 4.36Å; T156-F170 HydrophobicContact CG2-CZ 4.26Å; V159-F170 HydrophobicContact CG2-CD1 4.27Å; V159-F170 HydrophobicContact CG2-CE1 3.77Å; P163-F170 HydrophobicContact CG-CE2 4.2Å; P163-F170 HydrophobicContact CG-CZ 4.07Å; W168-F170 HydrophobicContact CB-CE2 4.06Å; W168-F170 HydrophobicContact CE3-CZ 4.29Å; F170-V178 HydrophobicContact CB-CG1 4.42Å; F170-V178 HydrophobicContact CD1-CG1 4.4Å; F170-F181 HydrophobicContact CD1-CB 3.73Å; F170-F181 HydrophobicContact CE1-CB 4.01Å; F170-F181 HydrophobicContact CG-CB 4.36Å
171	L	98.8	Very high	98	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.4	174.6	-175.9	54.8	0	0	0	109.5	A70 L72 V178 I179 R180 W182 E194 V195 L198	A70-L171 HydrophobicContact CB-CD1 4.49Å; L72-L171 HydrophobicContact CD1-CB 4.49Å; L171-V178 WeakPolarHBondContact O-CA 3.29Å; L171-I179 HydrophobicContact CB-CG1 4.17Å; L171-I179 HydrophobicContact CD2-CD1 3.86Å; L171-I179 HydrophobicContact CD2-CG1 4.06Å; L171-I179 HydrophobicContact CG-CD1 4.02Å; L171-I179 HydrophobicContact CG-CG1 3.86Å; L171-I179 PolarHBondContact O-N 3.05Å; L171-R180 HydrophobicContact CB-CB 4.15Å; L171-R180 PolarHBondContact N-O 2.89Å; L171-W182 HydrophobicContact CB-CH2 3.96Å; L171-W182 HydrophobicContact CB-CZ3 3.72Å; L171-W182 HydrophobicContact CD2-CH2 4.01Å; L171-E194 HydrophobicContact CD2-CB 4.41Å; L171-V195 HydrophobicContact CD1-CG2 3.95Å; L171-V195 HydrophobicContact CD2-CG2 4.11Å; L171-L198 HydrophobicContact CD1-CD2 3.91Å; L171-L198 HydrophobicContact CD2-CD2 3.98Å; L171-L198 HydrophobicContact CG-CD2 3.89Å
172	V	98.8	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129	176.2	-175.4	0	0	0	0	108.5	F48 Y49 A70 S71 V73 L155 G176 K177 V178	F48-V172 HydrophobicContact CB-CG1 3.9Å; F48-V172 HydrophobicContact CB-CG2 4.48Å; F48-V172 HydrophobicContact CD1-CB 4.36Å; F48-V172 HydrophobicContact CD1-CG1 3.93Å; F48-V172 HydrophobicContact CD1-CG2 4.04Å; F48-V172 HydrophobicContact CG-CG1 4.21Å; F48-V172 HydrophobicContact CG-CG2 4.18Å; Y49-V172 HydrophobicContact CE1-CG1 4.28Å; Y49-V172 HydrophobicContact CE2-CG1 4.3Å; A70-V172 WeakPolarHBondContact CA-O 3.48Å; S71-V172 PolarHBondContact N-O 2.81Å; S71-V172 PolarHBondContact O-N 3.49Å; V73-V172 HydrophobicContact CG2-CG2 3.87Å; L155-V172 HydrophobicContact CD2-CG2 3.67Å; V172-G176 VanDerWaalsContact CG1-C 3.46Å; V172-K177 CarbonylContact C-O 3.6Å; V172-K177 WeakPolarHBondContact CA-O 3.1Å; V172-V178 HydrophobicContact CG2-CG2 4.41Å
173	N	98.3	Very high	98.1	Very high	18 Å²	18	41.2 Å²	41.2	10%	0.096	18%	0.179	C	C	.	.			trans	-78.5	176.5	178.5	79.2	-2.3	0	0	0	112.4	Y49 K69 E175 G176 K177 I179 L198	Y49-N173 WeakPolarHBondContact CE2-O 3.49Å; Y49-N173 PolarHBondContact OH-O 2.87Å; K69-N173 CarbonylContact O-C 3.28Å; N173-E175 PolarHBondContact ND2-OE2 3.46Å; N173-E175 PolarHBondContact O-N 2.87Å; N173-E175 VanDerWaalsContact O-N 3.17Å; N173-E175 PolarHBondContact OD1-N 3.1Å; N173-E175 VanDerWaalsContact OD1-N 3.11Å; N173-E175 PolarHBondContact OD1-OE2 3.35Å; N173-G176 PolarHBondContact O-N 2.84Å; N173-G176 PolarHBondContact OD1-N 3.28Å; N173-G176 VanDerWaalsContact OD1-N 3.17Å; N173-K177 PolarHBondContact N-O 2.94Å; N173-K177 PolarHBondContact OD1-N 2.91Å; N173-K177 PolarHBondContact OD1-O 3.2Å; N173-I179 HydrophobicContact CB-CD1 4.49Å; N173-I179 HydrophobicContact CB-CG2 3.97Å; N173-L198 HydrophobicContact CB-CD1 4.29Å; N173-L198 HydrophobicContact CB-CD2 4.21Å
174	Q	96.9	Very high	98.1	Very high	18 Å²	18	42 Å²	42	8%	0.084	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	-178.5	65.9	-72	-14.7	0	0	115	G68 K69 I202	G68-Q174 PolarHBondContact N-O 3.48Å; K69-Q174 VanDerWaalsContact O-CA 3.26Å; K69-Q174 WeakPolarHBondContact O-CA 3.13Å; K69-Q174 PolarHBondContact O-N 3.06Å; Q174-I202 HydrophobicContact CB-CD1 3.98Å; Q174-I202 HydrophobicContact CB-CG1 4.14Å; Q174-I202 HydrophobicContact CG-CD1 4.46Å; Q174-I202 HydrophobicContact CG-CG1 4.12Å; Q174-I202 VanDerWaalsContact OE1-CG1 3.23Å
175	E	97	Very high	98	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.369	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.2	174	-58.7	81.3	-162.9	0	0	113.7	R67 N173 R205	R67-E175 PolarHBondContact NH1-O 2.95Å; R67-E175 VanDerWaalsContact NH1-O 3.09Å; N173-E175 PolarHBondContact ND2-OE2 3.46Å; N173-E175 PolarHBondContact O-N 2.87Å; N173-E175 VanDerWaalsContact O-N 3.17Å; N173-E175 PolarHBondContact OD1-N 3.1Å; N173-E175 VanDerWaalsContact OD1-N 3.11Å; N173-E175 PolarHBondContact OD1-OE2 3.35Å; E175-R205 IonicContact OE1-NH1 3Å; E175-R205 PolarHBondContact OE1-NH1 2.82Å
176	G	98	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	88.7	15.4	-179.3	0	0	0	0	0	114.4	F48 Y49 V172 N173	F48-G176 VanDerWaalsContact CB-O 3.32Å; F48-G176 WeakPolarHBondContact CB-O 3.25Å; F48-G176 PolarHBondContact N-O 3.03Å; Y49-G176 VanDerWaalsContact CD2-CA 3.43Å; V172-G176 VanDerWaalsContact CG1-C 3.46Å; N173-G176 PolarHBondContact O-N 2.84Å; N173-G176 PolarHBondContact OD1-N 3.28Å; N173-G176 VanDerWaalsContact OD1-N 3.17Å
177	K	98.3	Very high	97.9	Very high	117 Å²	117	41.5 Å²	41.5	51%	0.509	20%	0.199	S	C	.	.			trans	-91.9	138.9	175.3	-63.9	-175.8	178.1	-178.7	0	111	V172 N173 I179	V172-K177 CarbonylContact C-O 3.6Å; V172-K177 WeakPolarHBondContact CA-O 3.1Å; N173-K177 PolarHBondContact N-O 2.94Å; N173-K177 PolarHBondContact OD1-N 2.91Å; N173-K177 PolarHBondContact OD1-O 3.2Å; K177-I179 PolarHBondContact O-N 3.38Å
178	V	98.3	Very high	97.8	Very high	25 Å²	25	43.3 Å²	43.3	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.1	171.9	-168	0	0	0	0	108.8	F154 L155 V159 F170 L171 V172	F154-V178 HydrophobicContact CE1-CG2 4.13Å; L155-V178 HydrophobicContact CD2-CG2 3.54Å; V159-V178 HydrophobicContact CG1-CB 4.32Å; V159-V178 HydrophobicContact CG1-CG1 3.61Å; F170-V178 HydrophobicContact CB-CG1 4.42Å; F170-V178 HydrophobicContact CD1-CG1 4.4Å; L171-V178 WeakPolarHBondContact O-CA 3.29Å; V172-V178 HydrophobicContact CG2-CG2 4.41Å
179	I	98.1	Very high	97.7	Very high	85 Å²	85	50 Å²	50	44%	0.436	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-23	-178.5	65.2	168.2	0	0	0	112.9	L171 N173 K177 L198	L171-I179 HydrophobicContact CB-CG1 4.17Å; L171-I179 HydrophobicContact CD2-CD1 3.86Å; L171-I179 HydrophobicContact CD2-CG1 4.06Å; L171-I179 HydrophobicContact CG-CD1 4.02Å; L171-I179 HydrophobicContact CG-CG1 3.86Å; L171-I179 PolarHBondContact O-N 3.05Å; N173-I179 HydrophobicContact CB-CD1 4.49Å; N173-I179 HydrophobicContact CB-CG2 3.97Å; K177-I179 PolarHBondContact O-N 3.38Å; I179-L198 HydrophobicContact CD1-CD1 4.03Å; I179-L198 HydrophobicContact CD1-CD2 3.62Å; I179-L198 HydrophobicContact CD1-CG 4.32Å
180	R	98.3	Very high	97.6	Very high	88 Å²	88	51.6 Å²	51.6	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.6	-179.4	-165.8	71.2	177.6	118.7	18	110.8	L171 W182 E186 E194	L171-R180 HydrophobicContact CB-CB 4.15Å; L171-R180 PolarHBondContact N-O 2.89Å; R180-W182 HydrophobicContact CB-CH2 3.77Å; R180-W182 HydrophobicContact CB-CZ2 4.24Å; R180-W182 HydrophobicContact CB-CZ3 4.07Å; R180-W182 HydrophobicContact CG-CD2 4.27Å; R180-W182 HydrophobicContact CG-CE3 4.3Å; R180-W182 HydrophobicContact CG-CH2 3.51Å; R180-W182 HydrophobicContact CG-CZ2 3.46Å; R180-W182 VanDerWaalsContact CG-CZ2 3.46Å; R180-W182 HydrophobicContact CG-CZ3 3.95Å; R180-E186 IonicContact NH2-OE2 3.92Å; R180-E194 WeakPolarHBondContact CD-OE1 3.38Å; R180-E194 WeakPolarHBondContact CD-OE2 3.46Å; R180-E194 WeakPolarHBondContact CG-OE2 3.33Å; R180-E194 IonicContact NE-OE1 2.66Å; R180-E194 PolarHBondContact NE-OE1 2.83Å; R180-E194 IonicContact NE-OE2 2.96Å
181	F	98.6	Very high	97.6	Very high	32 Å²	32	51.6 Å²	51.6	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.5	165	76.3	-83.6	0	0	0	110.5	V159 K161 W168 K169 F170 R183	V159-F181 HydrophobicContact CB-CD1 3.76Å; V159-F181 HydrophobicContact CB-CE1 4.15Å; V159-F181 HydrophobicContact CG1-CD1 3.85Å; V159-F181 HydrophobicContact CG2-CD1 3.95Å; V159-F181 HydrophobicContact CG2-CE1 4.43Å; V159-F181 HydrophobicContact CG2-CG 4.28Å; K161-F181 HydrophobicContact CB-CE2 4.47Å; K161-F181 HydrophobicContact CB-CZ 4.39Å; K161-F181 HydrophobicContact CG-CE1 4.08Å; K161-F181 HydrophobicContact CG-CE2 4.2Å; K161-F181 HydrophobicContact CG-CZ 3.69Å; W168-F181 HydrophobicContact CE3-CD2 4.1Å; W168-F181 HydrophobicContact CE3-CE2 4.46Å; W168-F181 AromaticContact CZ3-CD2 3.96Å; W168-F181 HydrophobicContact CZ3-CD2 3.96Å; W168-F181 AromaticContact CZ3-CE2 3.89Å; W168-F181 HydrophobicContact CZ3-CE2 3.89Å; K169-F181 CarbonylContact O-C 3.53Å; K169-F181 WeakPolarHBondContact O-CA 3.38Å; K169-F181 WeakPolarHBondContact O-CB 3.39Å; F170-F181 HydrophobicContact CD1-CB 3.73Å; F170-F181 HydrophobicContact CE1-CB 4.01Å; F170-F181 HydrophobicContact CG-CB 4.36Å; F181-R183 HydrophobicContact CE2-CG 4.46Å
182	W	98.7	Very high	97.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144	172.6	-62	-96.4	0	0	0	110.3	L72 W168 K169 L171 R180 E186 S190 V191 E194	L72-W182 HydrophobicContact CD1-CE3 4.46Å; L72-W182 HydrophobicContact CD1-CZ3 3.98Å; W168-W182 WeakPolarHBondContact CA-O 3.39Å; K169-W182 HydrophobicContact CB-CB 4.35Å; K169-W182 HydrophobicContact CB-CE3 4.06Å; K169-W182 HydrophobicContact CD-CB 4.41Å; K169-W182 PolarHBondContact N-O 3.04Å; K169-W182 PolarHBondContact O-N 2.81Å; L171-W182 HydrophobicContact CB-CH2 3.96Å; L171-W182 HydrophobicContact CB-CZ3 3.72Å; L171-W182 HydrophobicContact CD2-CH2 4.01Å; R180-W182 HydrophobicContact CB-CH2 3.77Å; R180-W182 HydrophobicContact CB-CZ2 4.24Å; R180-W182 HydrophobicContact CB-CZ3 4.07Å; R180-W182 HydrophobicContact CG-CD2 4.27Å; R180-W182 HydrophobicContact CG-CE3 4.3Å; R180-W182 HydrophobicContact CG-CH2 3.51Å; R180-W182 HydrophobicContact CG-CZ2 3.46Å; R180-W182 VanDerWaalsContact CG-CZ2 3.46Å; R180-W182 HydrophobicContact CG-CZ3 3.95Å; W182-E186 WeakPolarHBondContact CA-OE1 3.28Å; W182-E186 HydrophobicContact CB-CB 4.05Å; W182-E186 HydrophobicContact CG-CB 4.41Å; W182-S190 PolarHBondContact NE1-OG 3.41Å; W182-V191 HydrophobicContact CB-CG2 4.33Å; W182-V191 HydrophobicContact CD2-CG2 3.68Å; W182-V191 HydrophobicContact CE3-CG2 4.16Å; W182-V191 HydrophobicContact CG-CG2 3.75Å; W182-V191 HydrophobicContact CZ2-CG2 4.47Å; W182-E194 HydrophobicContact CH2-CB 4.03Å; W182-E194 HydrophobicContact CZ2-CB 3.77Å; W182-E194 HydrophobicContact CZ2-CG 3.97Å
183	R	98.4	Very high	97.5	Very high	119 Å²	119	62.2 Å²	62.2	45%	0.449	30%	0.296	S	S	.	.			trans	-76.3	176.8	169.4	-58.3	179	-171.1	166.4	6.5	110.6	W168 K169 F181 D185 E186	W168-R183 HydrophobicContact CD2-CG 4.45Å; W168-R183 HydrophobicContact CH2-CG 3.93Å; W168-R183 HydrophobicContact CZ2-CB 4.38Å; W168-R183 HydrophobicContact CZ2-CG 3.77Å; W168-R183 HydrophobicContact CZ3-CG 4.31Å; K169-R183 PolarHBondContact NZ-O 3.33Å; F181-R183 HydrophobicContact CE2-CG 4.46Å; R183-D185 VanDerWaalsContact C-N 3.34Å; R183-D185 WeakPolarHBondContact CB-OD1 3.46Å; R183-D185 PolarHBondContact O-N 3.46Å; R183-E186 HydrophobicContact CB-CG 4.3Å; R183-E186 WeakPolarHBondContact CG-OE1 3.28Å; R183-E186 PolarHBondContact N-OE1 2.95Å
184	T	97.1	Very high	97.5	Very high	20 Å²	20	64.4 Å²	64.4	12%	0.123	31%	0.305	C	S	.	.	S	Bend	trans	-63.6	-39.4	-178.3	-48.3	0	0	0	0	112.8	H82 N166 F167	H82-T184 HydrophobicContact CB-CG2 4.17Å; H82-T184 VanDerWaalsContact CD2-CG2 3.48Å; H82-T184 WeakPolarHBondContact CD2-CG2 3.5Å; N166-T184 WeakPolarHBondContact O-CB 3.15Å; N166-T184 VanDerWaalsContact O-CG2 3.29Å; N166-T184 WeakPolarHBondContact O-CG2 3.44Å; N166-T184 PolarHBondContact O-OG1 3.01Å; F167-T184 HydrophobicContact CB-CG2 4.33Å
185	D	94.8	Very high	97.5	Very high	130 Å²	130	63.5 Å²	63.5	70%	0.695	30%	0.301	S	S	*	.	S	Bend	trans	-84.2	-11.2	-173.7	57.8	-36.2	0	0	0	114	R183	R183-D185 VanDerWaalsContact C-N 3.34Å; R183-D185 WeakPolarHBondContact CB-OD1 3.46Å; R183-D185 PolarHBondContact O-N 3.46Å
186	E	97.2	Very high	97.5	Very high	57 Å²	57	61.1 Å²	61.1	27%	0.266	29%	0.292	S	S	.	.	S	Bend	trans	-74.1	143.3	177.3	-68.3	-177.1	-108.4	0	0	111.8	R180 W182 R183	R180-E186 IonicContact NH2-OE2 3.92Å; W182-E186 WeakPolarHBondContact CA-OE1 3.28Å; W182-E186 HydrophobicContact CB-CB 4.05Å; W182-E186 HydrophobicContact CG-CB 4.41Å; R183-E186 HydrophobicContact CB-CG 4.3Å; R183-E186 WeakPolarHBondContact CG-OE1 3.28Å; R183-E186 PolarHBondContact N-OE1 2.95Å
187	S	95.3	Very high	97.5	Very high	64 Å²	64	63.3 Å²	63.3	45%	0.448	31%	0.31	S	S	.	.			trans	-68.7	141.1	-170	77.3	0	0	0	0	113.2	E189 S190 V191	S187-E189 PolarHBondContact O-N 3.14Å; S187-S190 PolarHBondContact O-N 2.99Å; S187-S190 PolarHBondContact OG-N 3.39Å; S187-V191 PolarHBondContact O-N 2.77Å
188	M	96.2	Very high	97.5	Very high	38 Å²	38	58.2 Å²	58.2	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-19	172.5	-80	-61.7	-55.2	0	0	113.1	L90 L93 K169 V191 R192	L90-M188 HydrophobicContact CD2-CE 4.37Å; L93-M188 HydrophobicContact CD2-CE 4.2Å; K169-M188 HydrophobicContact CD-SD 4.17Å; M188-V191 HydrophobicContact CE-CB 4.26Å; M188-V191 HydrophobicContact CE-CG1 4.12Å; M188-V191 PolarHBondContact O-N 3.06Å; M188-V191 HydrophobicContact SD-CB 4.2Å; M188-V191 HydrophobicContact SD-CG1 4.38Å; M188-V191 HydrophobicContact SD-CG2 4.09Å; M188-R192 VanDerWaalsContact O-CB 3.28Å; M188-R192 WeakPolarHBondContact O-CB 3.29Å; M188-R192 PolarHBondContact O-N 3.4Å
189	E	96.6	Very high	97.4	Very high	155 Å²	155	57.5 Å²	57.5	72%	0.724	28%	0.284	S	S	*	.	H	α-helix	trans	-65.2	-45.2	171.9	-172.2	-173.5	167	0	0	111.5	S187 V191 R192 K193	S187-E189 PolarHBondContact O-N 3.14Å; E189-V191 VanDerWaalsContact C-N 3.34Å; E189-V191 PolarHBondContact O-N 2.6Å; E189-R192 PolarHBondContact O-N 2.87Å; E189-K193 WeakPolarHBondContact O-CB 3.46Å; E189-K193 PolarHBondContact O-N 3.03Å
190	S	97.8	Very high	97.3	Very high	38 Å²	38	61.3 Å²	61.3	27%	0.266	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-45.2	175	172.8	0	0	0	0	111.1	W182 S187 R192 K193 E194	W182-S190 PolarHBondContact NE1-OG 3.41Å; S187-S190 PolarHBondContact O-N 2.99Å; S187-S190 PolarHBondContact OG-N 3.39Å; S190-R192 PolarHBondContact O-N 2.92Å; S190-K193 PolarHBondContact O-N 3Å; S190-E194 PolarHBondContact O-N 2.65Å; S190-E194 VanDerWaalsContact O-N 3.16Å
191	V	98.2	Very high	97.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-51.9	174.9	179.3	0	0	0	0	110.4	L72 L93 K169 W182 S187 M188 E189 K193 E194 V195	L72-V191 HydrophobicContact CD1-CG1 4.21Å; L72-V191 HydrophobicContact CD2-CG1 3.76Å; L93-V191 HydrophobicContact CD2-CG1 4.1Å; K169-V191 HydrophobicContact CD-CG2 3.83Å; W182-V191 HydrophobicContact CB-CG2 4.33Å; W182-V191 HydrophobicContact CD2-CG2 3.68Å; W182-V191 HydrophobicContact CE3-CG2 4.16Å; W182-V191 HydrophobicContact CG-CG2 3.75Å; W182-V191 HydrophobicContact CZ2-CG2 4.47Å; S187-V191 PolarHBondContact O-N 2.77Å; M188-V191 HydrophobicContact CE-CB 4.26Å; M188-V191 HydrophobicContact CE-CG1 4.12Å; M188-V191 PolarHBondContact O-N 3.06Å; M188-V191 HydrophobicContact SD-CB 4.2Å; M188-V191 HydrophobicContact SD-CG1 4.38Å; M188-V191 HydrophobicContact SD-CG2 4.09Å; E189-V191 VanDerWaalsContact C-N 3.34Å; E189-V191 PolarHBondContact O-N 2.6Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.49Å; V191-E194 PolarHBondContact O-N 3.03Å; V191-V195 HydrophobicContact CG1-CG2 4.1Å; V191-V195 WeakPolarHBondContact O-CB 3.46Å; V191-V195 WeakPolarHBondContact O-CG2 3.2Å; V191-V195 PolarHBondContact O-N 3.27Å
192	R	97.6	Very high	97.1	Very high	59 Å²	59	60.8 Å²	60.8	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-44	-178.9	-176.7	-175.7	-64.8	-85.1	10	111.7	E92 L93 E96 M188 E189 S190 T196	E92-R192 VanDerWaalsContact CD-NH2 3.34Å; E92-R192 IonicContact OE2-NH2 2.81Å; E92-R192 PolarHBondContact OE2-NH2 2.9Å; L93-R192 HydrophobicContact CD1-CB 4.2Å; L93-R192 HydrophobicContact CD1-CG 4Å; E96-R192 IonicContact OE1-CZ 2.87Å; E96-R192 IonicContact OE1-NH1 3.35Å; E96-R192 PolarHBondContact OE1-NH1 3.28Å; E96-R192 IonicContact OE1-NH2 2.79Å; E96-R192 PolarHBondContact OE1-NH2 3.23Å; E96-R192 IonicContact OE2-CZ 3.53Å; E96-R192 IonicContact OE2-NH1 3.49Å; E96-R192 PolarHBondContact OE2-NH1 3.08Å; M188-R192 VanDerWaalsContact O-CB 3.28Å; M188-R192 WeakPolarHBondContact O-CB 3.29Å; M188-R192 PolarHBondContact O-N 3.4Å; E189-R192 PolarHBondContact O-N 2.87Å; S190-R192 PolarHBondContact O-N 2.92Å; R192-T196 WeakPolarHBondContact O-CB 3.32Å; R192-T196 PolarHBondContact O-N 2.91Å; R192-T196 PolarHBondContact O-OG1 2.87Å
193	K	97.8	Very high	96.8	Very high	165 Å²	165	63 Å²	63	72%	0.717	31%	0.306	S	S	*	.	H	α-helix	trans	-59.7	-51.8	179.8	-179	178.8	176.6	-179.7	0	111.7	E189 S190 V191 A197	E189-K193 WeakPolarHBondContact O-CB 3.46Å; E189-K193 PolarHBondContact O-N 3.03Å; S190-K193 PolarHBondContact O-N 3Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.49Å; K193-A197 PolarHBondContact O-N 3.38Å
194	E	98.2	Very high	96.6	Very high	63 Å²	63	63 Å²	63	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-41.8	-177.7	-68.1	-162.2	-132.8	0	0	112.2	L171 R180 W182 S190 V191 T196 A197 L198	L171-E194 HydrophobicContact CD2-CB 4.41Å; R180-E194 WeakPolarHBondContact CD-OE1 3.38Å; R180-E194 WeakPolarHBondContact CD-OE2 3.46Å; R180-E194 WeakPolarHBondContact CG-OE2 3.33Å; R180-E194 IonicContact NE-OE1 2.66Å; R180-E194 PolarHBondContact NE-OE1 2.83Å; R180-E194 IonicContact NE-OE2 2.96Å; W182-E194 HydrophobicContact CH2-CB 4.03Å; W182-E194 HydrophobicContact CZ2-CB 3.77Å; W182-E194 HydrophobicContact CZ2-CG 3.97Å; S190-E194 PolarHBondContact O-N 2.65Å; S190-E194 VanDerWaalsContact O-N 3.16Å; V191-E194 PolarHBondContact O-N 3.03Å; E194-T196 PolarHBondContact O-N 3.47Å; E194-A197 PolarHBondContact O-N 3.37Å; E194-L198 PolarHBondContact O-N 3.5Å
195	V	97.9	Very high	96.4	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-44.7	176.5	176.4	0	0	0	0	110.8	L72 L93 L97 F102 L171 V191 A197 L198 V199	L72-V195 HydrophobicContact CD1-CG2 4.38Å; L93-V195 HydrophobicContact CD2-CG2 4.45Å; L97-V195 HydrophobicContact CD1-CB 4.34Å; L97-V195 HydrophobicContact CD1-CG1 3.55Å; F102-V195 HydrophobicContact CD2-CG1 3.55Å; F102-V195 HydrophobicContact CE1-CG1 4.42Å; F102-V195 HydrophobicContact CE2-CG1 3.29Å; F102-V195 HydrophobicContact CE2-CG2 4.43Å; F102-V195 HydrophobicContact CG-CG1 4.25Å; F102-V195 HydrophobicContact CZ-CG1 3.77Å; L171-V195 HydrophobicContact CD1-CG2 3.95Å; L171-V195 HydrophobicContact CD2-CG2 4.11Å; V191-V195 HydrophobicContact CG1-CG2 4.1Å; V191-V195 WeakPolarHBondContact O-CB 3.46Å; V191-V195 WeakPolarHBondContact O-CG2 3.2Å; V191-V195 PolarHBondContact O-N 3.27Å; V195-A197 VanDerWaalsContact C-N 3.34Å; V195-A197 PolarHBondContact O-N 3.48Å; V195-L198 PolarHBondContact O-N 3.35Å; V195-V199 HydrophobicContact CG1-CG2 4.36Å; V195-V199 VanDerWaalsContact O-CG2 3.3Å; V195-V199 WeakPolarHBondContact O-CG2 3.4Å; V195-V199 PolarHBondContact O-N 3.33Å
196	T	97.1	Very high	96.1	Very high	29 Å²	29	64.9 Å²	64.9	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-41.2	179	-58.9	0	0	0	0	111.5	R192 E194 V199 R200	R192-T196 WeakPolarHBondContact O-CB 3.32Å; R192-T196 PolarHBondContact O-N 2.91Å; R192-T196 PolarHBondContact O-OG1 2.87Å; E194-T196 PolarHBondContact O-N 3.47Å; T196-V199 PolarHBondContact O-N 3.28Å; T196-R200 VanDerWaalsContact O-CG 3.29Å; T196-R200 WeakPolarHBondContact O-CG 3.41Å; T196-R200 PolarHBondContact O-N 2.61Å
197	A	97.6	Very high	95.7	Very high	45 Å²	45	71.1 Å²	71.1	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-49.5	176.1	0	0	0	0	0	111.2	K193 E194 V195 V199 R200 E201	K193-A197 PolarHBondContact O-N 3.38Å; E194-A197 PolarHBondContact O-N 3.37Å; V195-A197 VanDerWaalsContact C-N 3.34Å; V195-A197 PolarHBondContact O-N 3.48Å; A197-V199 PolarHBondContact O-N 2.93Å; A197-R200 WeakPolarHBondContact O-CB 3.45Å; A197-R200 PolarHBondContact O-N 2.75Å; A197-E201 PolarHBondContact O-N 3.06Å
198	L	97.8	Very high	95.2	Very high	10 Å²	10	71.3 Å²	71.3	5%	0.052	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-42.6	179.3	-177.8	64.1	0	0	0	112.6	A70 L171 N173 I179 E194 V195 R200 E201 I202	A70-L198 HydrophobicContact CB-CD2 3.7Å; A70-L198 HydrophobicContact CB-CG 4.15Å; L171-L198 HydrophobicContact CD1-CD2 3.91Å; L171-L198 HydrophobicContact CD2-CD2 3.98Å; L171-L198 HydrophobicContact CG-CD2 3.89Å; N173-L198 HydrophobicContact CB-CD1 4.29Å; N173-L198 HydrophobicContact CB-CD2 4.21Å; I179-L198 HydrophobicContact CD1-CD1 4.03Å; I179-L198 HydrophobicContact CD1-CD2 3.62Å; I179-L198 HydrophobicContact CD1-CG 4.32Å; E194-L198 PolarHBondContact O-N 3.5Å; V195-L198 PolarHBondContact O-N 3.35Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.92Å; L198-E201 PolarHBondContact O-N 3.16Å; L198-I202 HydrophobicContact CG-CD1 4.14Å; L198-I202 VanDerWaalsContact O-CG1 3.32Å; L198-I202 WeakPolarHBondContact O-CG1 3.19Å; L198-I202 PolarHBondContact O-N 3.36Å
199	V	97.1	Very high	94.2	Very high	10 Å²	10	76.3 Å²	76.3	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-41.4	177.1	169.9	0	0	0	0	111.1	A70 H101 F102 V195 T196 A197 I202 I203	A70-V199 HydrophobicContact CB-CG2 4Å; H101-V199 HydrophobicContact CB-CG1 4.06Å; F102-V199 HydrophobicContact CB-CG2 3.8Å; F102-V199 HydrophobicContact CD2-CG2 4.35Å; F102-V199 HydrophobicContact CG-CG2 4.34Å; V195-V199 HydrophobicContact CG1-CG2 4.36Å; V195-V199 VanDerWaalsContact O-CG2 3.3Å; V195-V199 WeakPolarHBondContact O-CG2 3.4Å; V195-V199 PolarHBondContact O-N 3.33Å; T196-V199 PolarHBondContact O-N 3.28Å; A197-V199 PolarHBondContact O-N 2.93Å; V199-I202 PolarHBondContact O-N 3.16Å; V199-I203 HydrophobicContact CG1-CD1 3.89Å; V199-I203 VanDerWaalsContact O-CG1 3.32Å; V199-I203 WeakPolarHBondContact O-CG1 3.41Å; V199-I203 PolarHBondContact O-N 2.66Å
200	R	95.8	Very high	92.3	Very high	166 Å²	166	78.7 Å²	78.7	63%	0.626	38%	0.384	S	S	*	.	H	α-helix	trans	-61.2	-44.6	175.2	-73.6	171.9	-179.3	179.7	0.8	111.6	T196 A197 L198 I202 I203 I204	T196-R200 VanDerWaalsContact O-CG 3.29Å; T196-R200 WeakPolarHBondContact O-CG 3.41Å; T196-R200 PolarHBondContact O-N 2.61Å; A197-R200 WeakPolarHBondContact O-CB 3.45Å; A197-R200 PolarHBondContact O-N 2.75Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.92Å; R200-I202 VanDerWaalsContact C-N 3.34Å; R200-I202 PolarHBondContact O-N 2.96Å; R200-I203 PolarHBondContact O-N 3.45Å; R200-I204 VanDerWaalsContact O-CG1 3.32Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å; R200-I204 PolarHBondContact O-N 3.02Å
201	E	95.9	Very high	92.1	Very high	105 Å²	105	80.8 Å²	80.8	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-59.6	-43.8	176.2	-71	176.3	-166.7	0	0	112.2	A197 L198 I203 I204 R205	A197-E201 PolarHBondContact O-N 3.06Å; L198-E201 PolarHBondContact O-N 3.16Å; E201-I203 VanDerWaalsContact C-N 3.33Å; E201-I203 PolarHBondContact O-N 2.64Å; E201-I204 PolarHBondContact O-N 3.01Å; E201-R205 WeakPolarHBondContact O-CB 3.49Å; E201-R205 PolarHBondContact O-N 2.92Å
202	I	95.7	Very high	91.8	Very high	3 Å²	3	85 Å²	85	2%	0.015	41%	0.411	C	S	.	.	H	α-helix	trans	-59.8	-44.3	176.2	-68.1	165.5	0	0	0	110.8	A70 H101 Q174 L198 V199 R200 K206	A70-I202 HydrophobicContact CB-CD1 3.86Å; H101-I202 HydrophobicContact CB-CG2 4.35Å; Q174-I202 HydrophobicContact CB-CD1 3.98Å; Q174-I202 HydrophobicContact CB-CG1 4.14Å; Q174-I202 HydrophobicContact CG-CD1 4.46Å; Q174-I202 HydrophobicContact CG-CG1 4.12Å; Q174-I202 VanDerWaalsContact OE1-CG1 3.23Å; L198-I202 HydrophobicContact CG-CD1 4.14Å; L198-I202 VanDerWaalsContact O-CG1 3.32Å; L198-I202 WeakPolarHBondContact O-CG1 3.19Å; L198-I202 PolarHBondContact O-N 3.36Å; V199-I202 PolarHBondContact O-N 3.16Å; R200-I202 VanDerWaalsContact C-N 3.34Å; R200-I202 PolarHBondContact O-N 2.96Å; I202-K206 HydrophobicContact CG2-CD 4.48Å; I202-K206 WeakPolarHBondContact O-CG 3.17Å; I202-K206 PolarHBondContact O-N 3.41Å; I202-K206 VanDerWaalsContact O-N 3.08Å
203	I	94.2	Very high	91.4	Very high	47 Å²	47	86.4 Å²	86.4	24%	0.241	42%	0.421	C	S	.	.	H	α-helix	trans	-64.5	-46.5	179.4	-69.2	165.1	0	0	0	110.9	H101 V199 R200 E201 K206 R207	H101-I203 HydrophobicContact CB-CG1 4.46Å; H101-I203 VanDerWaalsContact CD2-CG1 3.46Å; H101-I203 WeakPolarHBondContact CD2-CG1 3.38Å; V199-I203 HydrophobicContact CG1-CD1 3.89Å; V199-I203 VanDerWaalsContact O-CG1 3.32Å; V199-I203 WeakPolarHBondContact O-CG1 3.41Å; V199-I203 PolarHBondContact O-N 2.66Å; R200-I203 PolarHBondContact O-N 3.45Å; E201-I203 VanDerWaalsContact C-N 3.33Å; E201-I203 PolarHBondContact O-N 2.64Å; I203-K206 PolarHBondContact O-N 2.7Å; I203-R207 WeakPolarHBondContact O-CG 3.43Å; I203-R207 PolarHBondContact O-N 3.15Å
204	I	93.9	Very high	91.1	Very high	120 Å²	120	81.8 Å²	81.8	62%	0.615	40%	0.404	S	S	*	.	H	α-helix	trans	-61.4	-46.5	-180	-69.5	165.4	0	0	0	110.2	R200 E201 K206 R207 G208	R200-I204 VanDerWaalsContact O-CG1 3.32Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å; R200-I204 PolarHBondContact O-N 3.02Å; E201-I204 PolarHBondContact O-N 3.01Å; I204-K206 PolarHBondContact O-N 2.94Å; I204-R207 PolarHBondContact O-N 3.49Å; I204-G208 PolarHBondContact O-N 3.26Å
205	R	92.3	Very high	90.6	Very high	103 Å²	103	83 Å²	83	39%	0.389	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-47.9	179.1	-170.2	179.6	-56.2	138.9	10.3	111.8	E175 E201 R207 G208 E209	E175-R205 IonicContact OE1-NH1 3Å; E175-R205 PolarHBondContact OE1-NH1 2.82Å; E201-R205 WeakPolarHBondContact O-CB 3.49Å; E201-R205 PolarHBondContact O-N 2.92Å; R205-R207 VanDerWaalsContact C-N 3.26Å; R205-R207 PolarHBondContact O-N 3.21Å; R205-G208 PolarHBondContact O-N 3.28Å; R205-G208 VanDerWaalsContact O-N 3.13Å; R205-E209 WeakPolarHBondContact CG-OE1 3.48Å; R205-E209 WeakPolarHBondContact O-CG 3.38Å; R205-E209 PolarHBondContact O-N 3.49Å; R205-E209 VanDerWaalsContact O-N 3.17Å
206	K	88.8	Confident	90.1	Very high	85 Å²	85	88.5 Å²	88.5	37%	0.37	44%	0.438	S	S	.	.	H	α-helix	trans	-62.6	-31.4	178.1	-76.6	-172	177.1	-166.5	0	113.4	I202 I203 I204 L210	I202-K206 HydrophobicContact CG2-CD 4.48Å; I202-K206 WeakPolarHBondContact O-CG 3.17Å; I202-K206 PolarHBondContact O-N 3.41Å; I202-K206 VanDerWaalsContact O-N 3.08Å; I203-K206 PolarHBondContact O-N 2.7Å; I204-K206 PolarHBondContact O-N 2.94Å; K206-L210 WeakPolarHBondContact O-CD1 3.46Å; K206-L210 WeakPolarHBondContact O-CG 3.18Å
207	R	89	Confident	89.6	Confident	188 Å²	188	92.8 Å²	92.8	71%	0.709	46%	0.456	S	S	*	.	H	α-helix	trans	-74.5	-31.2	175.3	-74.7	179.2	177.3	-175.1	-1.1	113.1	I203 I204 R205 E209	I203-R207 WeakPolarHBondContact O-CG 3.43Å; I203-R207 PolarHBondContact O-N 3.15Å; I204-R207 PolarHBondContact O-N 3.49Å; R205-R207 VanDerWaalsContact C-N 3.26Å; R205-R207 PolarHBondContact O-N 3.21Å; R207-E209 VanDerWaalsContact C-N 3.34Å
208	G	83.6	Confident	89	Confident	68 Å²	68	96.5 Å²	96.5	70%	0.701	46%	0.463	S	S	*	.	H	α-helix	trans	-79.8	-15.3	177.4	0	0	0	0	0	114.3	I204 R205	I204-G208 PolarHBondContact O-N 3.26Å; R205-G208 PolarHBondContact O-N 3.28Å; R205-G208 VanDerWaalsContact O-N 3.13Å
209	E	75.6	Confident	88.3	Confident	144 Å²	144	103.7 Å²	103.7	67%	0.673	50%	0.497	S	S	*	.			trans	-89.6	-8.6	174.9	-70.6	171.4	-176.7	0	0	113.3	R205 R207	R205-E209 WeakPolarHBondContact CG-OE1 3.48Å; R205-E209 WeakPolarHBondContact O-CG 3.38Å; R205-E209 PolarHBondContact O-N 3.49Å; R205-E209 VanDerWaalsContact O-N 3.17Å; R207-E209 VanDerWaalsContact C-N 3.34Å
210	L	57.8	Low	87.5	Confident	205 Å²	205	112.2 Å²	112.2	100%	1.073	54%	0.537	S	S	*	.			trans	-99.5	0	177.5	-72.2	169	0	0	0	110.8	K206	K206-L210 WeakPolarHBondContact O-CD1 3.46Å; K206-L210 WeakPolarHBondContact O-CG 3.18Å

Retrieved 210 of 210 residues in 215.4 ms (Link to these results)

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