A0A096MUQ3_PAPAN Loading...

ST8 alpha-N-acetyl-neuraminide alpha-2,8-sialyltransferase 3

AlphaFold DB , UniProt , Accession A0A096MUQ3, Species PAPAN (Papio anubis, Olive baboon), Gene ST8SIA3, Length 380 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	52	Low	54.4	Low	235 Å²	235	135.4 Å²	135.4	100%	1.158	70%	0.699	S	S	*	*				0	22.2	0	-80.8	170.2	54.9	0	0	115.4
2	R	51.8	Low	55.8	Low	224 Å²	224	131.7 Å²	131.7	85%	0.845	69%	0.687	S	S	*	*			trans	-100.3	-21.2	177	-103.4	175.7	173.7	169.2	-3.1	115
3	N	51.4	Low	57	Low	135 Å²	135	129.8 Å²	129.8	72%	0.722	68%	0.677	S	S	*	*	H	α-helix	trans	-85.1	-13.5	-174.6	-72	0.8	0	0	0	115.5
4	C	52.6	Low	58.5	Low	102 Å²	102	123.6 Å²	123.6	69%	0.689	66%	0.66	S	S	*	*	H	α-helix	trans	-87.6	-18.1	-177.8	-143.7	0	0	0	0	113.6
5	K	51.8	Low	59.6	Low	170 Å²	170	122.3 Å²	122.3	74%	0.739	65%	0.652	S	S	*	*	H	α-helix	trans	-82.3	-33.5	177.5	-80.3	-174.1	175.6	-177.1	0	113.3	V9	K5-V9 WeakPolarHBondContact O-CG2 3.41Å; K5-V9 PolarHBondContact O-N 3.42Å
6	M	51.6	Low	61	Low	131 Å²	131	119.8 Å²	119.8	65%	0.645	64%	0.643	S	S	*	*	H	α-helix	trans	-69.7	-35.6	179.5	-75	-168.5	-66.7	0	0	113.2	R8 V9 A10	M6-R8 PolarHBondContact O-N 3.27Å; M6-V9 PolarHBondContact O-N 3.5Å; M6-A10 PolarHBondContact O-N 3.38Å; M6-A10 VanDerWaalsContact O-N 3.11Å
7	A	52.3	Low	62.1	Low	68 Å²	68	120.5 Å²	120.5	56%	0.562	64%	0.643	S	S	*	*	H	α-helix	trans	-66	-36.3	179.3	0	0	0	0	0	113.2	S11	A7-S11 PolarHBondContact O-N 3.04Å
8	R	55.8	Low	63.1	Low	198 Å²	198	119.8 Å²	119.8	75%	0.747	64%	0.639	S	S	*	*	H	α-helix	trans	-70.2	-37	175.9	-81.3	-174.5	179.4	176.8	0.2	112.7	M6 S11 V12	M6-R8 PolarHBondContact O-N 3.27Å; R8-S11 PolarHBondContact O-N 3.48Å; R8-V12 WeakPolarHBondContact O-CG2 3.46Å; R8-V12 PolarHBondContact O-N 3.44Å; R8-V12 VanDerWaalsContact O-N 3.15Å
9	V	57.5	Low	64.1	Low	89 Å²	89	116.8 Å²	116.8	54%	0.539	63%	0.629	S	S	.	*	H	α-helix	trans	-69.6	-40.9	179	175.5	0	0	0	0	111.1	K5 M6 S11 V12 L13	K5-V9 WeakPolarHBondContact O-CG2 3.41Å; K5-V9 PolarHBondContact O-N 3.42Å; M6-V9 PolarHBondContact O-N 3.5Å; V9-S11 VanDerWaalsContact C-N 3.34Å; V9-S11 PolarHBondContact O-N 3.24Å; V9-V12 PolarHBondContact O-N 3.3Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 PolarHBondContact O-N 3.34Å
10	A	57.1	Low	65.2	Low	66 Å²	66	114.6 Å²	114.6	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-63.5	-37.2	175.3	0	0	0	0	0	112.9	M6 G14	M6-A10 PolarHBondContact O-N 3.38Å; M6-A10 VanDerWaalsContact O-N 3.11Å; A10-G14 PolarHBondContact O-N 2.92Å
11	S	64.9	Low	66.1	Low	71 Å²	71	111.2 Å²	111.2	50%	0.497	61%	0.607	S	S	.	*	H	α-helix	trans	-68.8	-39.3	177.4	178.6	0	0	0	0	112.9	A7 R8 V9 G14 L15	A7-S11 PolarHBondContact O-N 3.04Å; R8-S11 PolarHBondContact O-N 3.48Å; V9-S11 VanDerWaalsContact C-N 3.34Å; V9-S11 PolarHBondContact O-N 3.24Å; S11-G14 PolarHBondContact O-N 3.17Å; S11-L15 PolarHBondContact O-N 2.88Å; S11-L15 VanDerWaalsContact O-N 3.11Å
12	V	70.8	Confident	67.7	Low	91 Å²	91	105.1 Å²	105.1	55%	0.552	58%	0.578	S	S	*	*	H	α-helix	trans	-69.9	-41.2	176.9	174.4	0	0	0	0	111.4	R8 V9 G14 L15 V16	R8-V12 WeakPolarHBondContact O-CG2 3.46Å; R8-V12 PolarHBondContact O-N 3.44Å; R8-V12 VanDerWaalsContact O-N 3.15Å; V9-V12 PolarHBondContact O-N 3.3Å; V12-G14 VanDerWaalsContact C-N 3.33Å; V12-G14 PolarHBondContact O-N 3.19Å; V12-L15 PolarHBondContact O-N 3.48Å; V12-V16 WeakPolarHBondContact O-CG2 3.33Å; V12-V16 PolarHBondContact O-N 2.93Å
13	L	71.9	Confident	69.2	Low	108 Å²	108	100.2 Å²	100.2	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-61	-40.3	173.1	-93.7	142.9	0	0	0	112	V9 V16 M17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 PolarHBondContact O-N 3.34Å; L13-V16 PolarHBondContact O-N 3.28Å; L13-M17 WeakPolarHBondContact O-CB 3.33Å; L13-M17 VanDerWaalsContact O-CG 3.23Å; L13-M17 WeakPolarHBondContact O-CG 3.21Å; L13-M17 PolarHBondContact O-N 3.02Å
14	G	76.9	Confident	70.7	Confident	42 Å²	42	98.2 Å²	98.2	43%	0.433	56%	0.557	S	S	.	*	H	α-helix	trans	-61.3	-43.1	174.8	0	0	0	0	0	113.4	A10 S11 V12 M17 L18	A10-G14 PolarHBondContact O-N 2.92Å; S11-G14 PolarHBondContact O-N 3.17Å; V12-G14 VanDerWaalsContact C-N 3.33Å; V12-G14 PolarHBondContact O-N 3.19Å; G14-M17 PolarHBondContact O-N 3.41Å; G14-L18 WeakPolarHBondContact O-CB 3.5Å; G14-L18 PolarHBondContact O-N 3.19Å
15	L	75.9	Confident	72	Confident	104 Å²	104	98.7 Å²	98.7	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-38.5	177.7	-83.1	157.7	0	0	0	112.8	S11 V12 S19	S11-L15 PolarHBondContact O-N 2.88Å; S11-L15 VanDerWaalsContact O-N 3.11Å; V12-L15 PolarHBondContact O-N 3.48Å; L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 3.24Å; L15-S19 PolarHBondContact O-OG 2.98Å
16	V	81.6	Confident	73.3	Confident	82 Å²	82	94.3 Å²	94.3	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-66.8	-44.4	176.1	173.2	0	0	0	0	110.6	V12 L13 L18 S19 V20	V12-V16 WeakPolarHBondContact O-CG2 3.33Å; V12-V16 PolarHBondContact O-N 2.93Å; L13-V16 PolarHBondContact O-N 3.28Å; V16-L18 PolarHBondContact O-N 3.49Å; V16-S19 PolarHBondContact O-N 2.99Å; V16-V20 WeakPolarHBondContact O-CG2 3.27Å; V16-V20 PolarHBondContact O-N 3.31Å
17	M	80	Confident	74.4	Confident	132 Å²	132	93.7 Å²	93.7	65%	0.65	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-39.5	177.8	-69.5	-62.6	-72.4	0	0	112.2	L13 G14 V20 A21	L13-M17 WeakPolarHBondContact O-CB 3.33Å; L13-M17 VanDerWaalsContact O-CG 3.23Å; L13-M17 WeakPolarHBondContact O-CG 3.21Å; L13-M17 PolarHBondContact O-N 3.02Å; G14-M17 PolarHBondContact O-N 3.41Å; M17-V20 PolarHBondContact O-N 3.48Å; M17-A21 WeakPolarHBondContact O-CB 3.34Å; M17-A21 PolarHBondContact O-N 3.37Å
18	L	80.7	Confident	75.4	Confident	108 Å²	108	94.9 Å²	94.9	57%	0.565	54%	0.537	S	S	*	.	H	α-helix	trans	-63.6	-41.8	174.7	-171	74.3	0	0	0	111.8	G14 V16 A21 L22	G14-L18 WeakPolarHBondContact O-CB 3.5Å; G14-L18 PolarHBondContact O-N 3.19Å; V16-L18 PolarHBondContact O-N 3.49Å; L18-A21 PolarHBondContact O-N 2.84Å; L18-L22 HydrophobicContact CG-CD1 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.9Å
19	S	80.5	Confident	76.1	Confident	64 Å²	64	88.6 Å²	88.6	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-40.5	179.7	-57.4	0	0	0	0	112	L15 V16 L22 L23	L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 3.24Å; L15-S19 PolarHBondContact O-OG 2.98Å; V16-S19 PolarHBondContact O-N 2.99Å; S19-L22 PolarHBondContact O-N 3.22Å; S19-L23 WeakPolarHBondContact O-CG 3.28Å; S19-L23 PolarHBondContact O-N 3.32Å; S19-L23 VanDerWaalsContact O-N 3.12Å
20	V	86.5	Confident	76.6	Confident	72 Å²	72	91.6 Å²	91.6	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-41.2	175.5	173.1	0	0	0	0	111.1	V16 M17 L22 L23 I24	V16-V20 WeakPolarHBondContact O-CG2 3.27Å; V16-V20 PolarHBondContact O-N 3.31Å; M17-V20 PolarHBondContact O-N 3.48Å; V20-L22 PolarHBondContact O-N 2.95Å; V20-L23 PolarHBondContact O-N 3.34Å; V20-I24 HydrophobicContact CG1-CD1 3.88Å; V20-I24 WeakPolarHBondContact O-CG1 3.49Å; V20-I24 PolarHBondContact O-N 3.44Å
21	A	85.3	Confident	77.1	Confident	44 Å²	44	92.5 Å²	92.5	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-41	176.7	0	0	0	0	0	112.4	M17 L18 I24 L25	M17-A21 WeakPolarHBondContact O-CB 3.34Å; M17-A21 PolarHBondContact O-N 3.37Å; L18-A21 PolarHBondContact O-N 2.84Å; A21-I24 PolarHBondContact O-N 3.37Å; A21-L25 WeakPolarHBondContact O-CG 3.49Å; A21-L25 PolarHBondContact O-N 3.15Å
22	L	83.8	Confident	76.8	Confident	106 Å²	106	92.1 Å²	92.1	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-66	-38.4	176.6	-72.3	169.3	0	0	0	112.5	L18 S19 V20 L25 S26	L18-L22 HydrophobicContact CG-CD1 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.9Å; S19-L22 PolarHBondContact O-N 3.22Å; V20-L22 PolarHBondContact O-N 2.95Å; L22-L25 PolarHBondContact O-N 3.03Å; L22-S26 WeakPolarHBondContact O-CB 3.38Å; L22-S26 PolarHBondContact O-N 2.94Å
23	L	84.3	Confident	76	Confident	121 Å²	121	93.3 Å²	93.3	63%	0.634	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-40.9	174.6	-77	168.5	0	0	0	112	S19 V20 S26 L27	S19-L23 WeakPolarHBondContact O-CG 3.28Å; S19-L23 PolarHBondContact O-N 3.32Å; S19-L23 VanDerWaalsContact O-N 3.12Å; V20-L23 PolarHBondContact O-N 3.34Å; L23-S26 PolarHBondContact O-N 3.06Å; L23-L27 PolarHBondContact O-N 3.05Å
24	I	83.5	Confident	74.8	Confident	94 Å²	94	94 Å²	94	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-45.1	176.4	-68	167.7	0	0	0	110.7	V20 A21 S26 L27 I28	V20-I24 HydrophobicContact CG1-CD1 3.88Å; V20-I24 WeakPolarHBondContact O-CG1 3.49Å; V20-I24 PolarHBondContact O-N 3.44Å; A21-I24 PolarHBondContact O-N 3.37Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.27Å; I24-L27 PolarHBondContact O-N 3.32Å; I24-I28 HydrophobicContact CG2-CD1 3.73Å; I24-I28 HydrophobicContact CG2-CG1 4.36Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 3.36Å
25	L	79	Confident	73.2	Confident	111 Å²	111	99.5 Å²	99.5	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-39.2	177.2	-74.3	167.1	0	0	0	112.3	A21 L22 I28 S29	A21-L25 WeakPolarHBondContact O-CG 3.49Å; A21-L25 PolarHBondContact O-N 3.15Å; L22-L25 PolarHBondContact O-N 3.03Å; L25-I28 PolarHBondContact O-N 2.76Å; L25-S29 WeakPolarHBondContact O-CB 3.5Å; L25-S29 PolarHBondContact O-N 2.69Å
26	S	78.8	Confident	71.6	Confident	78 Å²	78	102.3 Å²	102.3	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-61.5	-43.7	172.8	176.6	0	0	0	0	111.7	L22 L23 I24 S29 Y30	L22-S26 WeakPolarHBondContact O-CB 3.38Å; L22-S26 PolarHBondContact O-N 2.94Å; L23-S26 PolarHBondContact O-N 3.06Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.27Å; S26-S29 PolarHBondContact O-N 3.05Å; S26-Y30 WeakPolarHBondContact O-CB 3.31Å; S26-Y30 PolarHBondContact O-N 3.5Å
27	L	74.6	Confident	69.6	Low	118 Å²	118	105.3 Å²	105.3	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-41.7	177.5	-138.3	86.5	0	0	0	112	L23 I24 Y30 V31	L23-L27 PolarHBondContact O-N 3.05Å; I24-L27 PolarHBondContact O-N 3.32Å; L27-Y30 PolarHBondContact O-N 2.97Å; L27-V31 WeakPolarHBondContact O-CB 3.49Å; L27-V31 VanDerWaalsContact O-CG2 3.26Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 3.42Å
28	I	74.9	Confident	67.9	Low	93 Å²	93	104.1 Å²	104.1	48%	0.477	55%	0.554	S	S	.	*	H	α-helix	trans	-63.5	-43.1	176.3	-67.9	167.3	0	0	0	110.3	I24 L25 V31 S32	I24-I28 HydrophobicContact CG2-CD1 3.73Å; I24-I28 HydrophobicContact CG2-CG1 4.36Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 3.36Å; L25-I28 PolarHBondContact O-N 2.76Å; I28-V31 PolarHBondContact O-N 3.27Å; I28-S32 WeakPolarHBondContact O-CB 3.22Å; I28-S32 PolarHBondContact O-N 3.08Å; I28-S32 PolarHBondContact O-OG 3.37Å
29	S	70.6	Confident	65.8	Low	66 Å²	66	106.7 Å²	106.7	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-63.8	-43.5	176.8	-168.7	0	0	0	0	111.8	L25 S26 V31 S32 L33	L25-S29 WeakPolarHBondContact O-CB 3.5Å; L25-S29 PolarHBondContact O-N 2.69Å; S26-S29 PolarHBondContact O-N 3.05Å; S29-V31 PolarHBondContact O-N 3.06Å; S29-S32 PolarHBondContact O-N 3.46Å; S29-L33 WeakPolarHBondContact O-CB 3.28Å; S29-L33 WeakPolarHBondContact O-CG 3.38Å; S29-L33 PolarHBondContact O-N 3.08Å
30	Y	67.8	Low	63.5	Low	153 Å²	153	110.2 Å²	110.2	60%	0.6	58%	0.58	S	S	*	*	H	α-helix	trans	-61.7	-41.8	175.5	-179.7	-102.9	0	0	0	112.5	S26 L27 K34	S26-Y30 WeakPolarHBondContact O-CB 3.31Å; S26-Y30 PolarHBondContact O-N 3.5Å; L27-Y30 PolarHBondContact O-N 2.97Å; Y30-K34 WeakPolarHBondContact O-CB 3.43Å; Y30-K34 PolarHBondContact O-N 2.95Å; Y30-K34 VanDerWaalsContact O-N 3.09Å
31	V	66.6	Low	60.9	Low	84 Å²	84	113 Å²	113	51%	0.509	60%	0.597	S	S	.	*	H	α-helix	trans	-70.4	-38.4	177.5	173.1	0	0	0	0	111.6	L27 I28 S29 K34 K35	L27-V31 WeakPolarHBondContact O-CB 3.49Å; L27-V31 VanDerWaalsContact O-CG2 3.26Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 3.42Å; I28-V31 PolarHBondContact O-N 3.27Å; S29-V31 PolarHBondContact O-N 3.06Å; V31-K34 PolarHBondContact O-N 3.49Å; V31-K35 WeakPolarHBondContact O-CB 3.4Å; V31-K35 PolarHBondContact O-N 3.37Å
32	S	59.7	Low	58.4	Low	64 Å²	64	117 Å²	117	45%	0.448	62%	0.619	S	S	.	*	H	α-helix	trans	-66.1	-43.3	175.2	-76.5	0	0	0	0	112.6	I28 S29 K34 K35 E36	I28-S32 WeakPolarHBondContact O-CB 3.22Å; I28-S32 PolarHBondContact O-N 3.08Å; I28-S32 PolarHBondContact O-OG 3.37Å; S29-S32 PolarHBondContact O-N 3.46Å; S32-K34 PolarHBondContact O-N 3.19Å; S32-K35 PolarHBondContact O-N 3.39Å; S32-K35 VanDerWaalsContact O-N 3.1Å; S32-E36 PolarHBondContact O-N 3.03Å
33	L	52.2	Low	55.9	Low	115 Å²	115	122 Å²	122	60%	0.602	64%	0.637	S	S	*	*	H	α-helix	trans	-62.1	-32.9	173.7	-76.5	165.9	0	0	0	112.4	S29 N37	S29-L33 WeakPolarHBondContact O-CB 3.28Å; S29-L33 WeakPolarHBondContact O-CG 3.38Å; S29-L33 PolarHBondContact O-N 3.08Å; L33-N37 PolarHBondContact O-ND2 3.34Å
34	K	46.7	Very low	53.3	Low	122 Å²	122	127.1 Å²	127.1	53%	0.53	65%	0.649	S	S	.	*	H	α-helix	trans	-76.8	-30.1	175	-159.5	174.9	-178	-179.4	0	112.2	Y30 V31 S32 I38	Y30-K34 WeakPolarHBondContact O-CB 3.43Å; Y30-K34 PolarHBondContact O-N 2.95Å; Y30-K34 VanDerWaalsContact O-N 3.09Å; V31-K34 PolarHBondContact O-N 3.49Å; S32-K34 PolarHBondContact O-N 3.19Å; K34-I38 HydrophobicContact CG-CD1 4.42Å; K34-I38 WeakPolarHBondContact O-CD1 3.46Å; K34-I38 VanDerWaalsContact O-CG1 3.31Å; K34-I38 WeakPolarHBondContact O-CG1 3.43Å
35	K	43.6	Very low	50.8	Low	158 Å²	158	127.3 Å²	127.3	69%	0.687	66%	0.664	S	S	*	*	H	α-helix	trans	-74.2	-37.7	178.6	-165.7	177.6	179.9	-176.9	0	112.3	V31 S32 N37 I38	V31-K35 WeakPolarHBondContact O-CB 3.4Å; V31-K35 PolarHBondContact O-N 3.37Å; S32-K35 PolarHBondContact O-N 3.39Å; S32-K35 VanDerWaalsContact O-N 3.1Å; K35-N37 VanDerWaalsContact C-N 3.25Å; K35-N37 PolarHBondContact O-N 3.45Å; K35-I38 PolarHBondContact O-N 3Å
36	E	42.1	Very low	48.5	Very low	164 Å²	164	127.3 Å²	127.3	77%	0.766	67%	0.674	S	S	*	*	H	α-helix	trans	-70.5	-19.3	175.6	-66.7	-150.4	166.5	0	0	113.7	S32	S32-E36 PolarHBondContact O-N 3.03Å
37	N	40.5	Very low	46.6	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-4.5	174.1	-80.5	-44	0	0	0	114.5	L33 K35	L33-N37 PolarHBondContact O-ND2 3.34Å; K35-N37 VanDerWaalsContact C-N 3.25Å; K35-N37 PolarHBondContact O-N 3.45Å
38	I	43.8	Very low	44.5	Very low	107 Å²	107	127.4 Å²	127.4	55%	0.549	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.1	-21	-174	-63.8	172.2	0	0	0	112.7	K34 K35	K34-I38 HydrophobicContact CG-CD1 4.42Å; K34-I38 WeakPolarHBondContact O-CD1 3.46Å; K34-I38 VanDerWaalsContact O-CG1 3.31Å; K34-I38 WeakPolarHBondContact O-CG1 3.43Å; K35-I38 PolarHBondContact O-N 3Å
39	F	37.8	Very low	42.3	Very low	162 Å²	162	127.8 Å²	127.8	71%	0.711	71%	0.71	S	S	*	*	S	Bend	trans	-144.9	106.3	176	-70.4	-81.6	0	0	0	110.7
40	T	30.5	Very low	40.5	Very low	139 Å²	139	130.5 Å²	130.5	85%	0.853	73%	0.727	S	S	*	*				171.3	124.4	125.2	35.1	0	0	0	0	112.6
41	T	32.3	Very low	38.8	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	74%	0.737	S	S	*	*			trans	-72.6	141.8	155.3	41.1	0	0	0	0	110.3
42	P	34	Very low	36.9	Very low	126 Å²	126	137.6 Å²	137.6	82%	0.818	75%	0.753	S	S	*	*			trans	-90.9	128.7	177.3	33.4	-29.2	0	0	0	111.7
43	K	30.9	Very low	35.5	Very low	212 Å²	212	143.8 Å²	143.8	92%	0.922	77%	0.767	S	S	*	*			trans	-124.7	143.9	160.4	-90.7	-171.5	178.6	-179.3	0	110.6
44	Y	30.4	Very low	34.4	Very low	229 Å²	229	146.3 Å²	146.3	90%	0.898	78%	0.778	S	S	*	*			trans	-53.4	154.1	-170	-85.6	-99.6	0	0	0	121.1
45	A	30.5	Very low	33.6	Very low	97 Å²	97	150.1 Å²	150.1	80%	0.802	80%	0.795	S	S	*	*			trans	72.1	142.3	140.6	0	0	0	0	0	119.2
46	S	30.4	Very low	33	Very low	112 Å²	112	152 Å²	152	78%	0.783	81%	0.806	S	S	*	*			cis	-173.5	-167.8	0.2	-145.9	0	0	0	0	106.3
47	P	38.9	Very low	32.5	Very low	122 Å²	122	148.9 Å²	148.9	79%	0.792	81%	0.808	S	S	*	*			cis	-130.7	159.6	-26.7	36.7	-19.5	0	0	0	114
48	G	29.7	Very low	32.4	Very low	76 Å²	76	144.6 Å²	144.6	78%	0.784	80%	0.798	S	S	*	*			trans	170.5	46.6	169.1	0	0	0	0	0	120.6
49	A	28.8	Very low	32	Very low	100 Å²	100	149.7 Å²	149.7	83%	0.826	82%	0.817	S	S	*	*			trans	53.5	162.4	155.8	0	0	0	0	0	121.5
50	P	33	Very low	32.1	Very low	124 Å²	124	153.9 Å²	153.9	81%	0.805	83%	0.828	S	S	*	*			cis	-116.1	161.8	-14.3	30.5	-12	0	0	0	113.9
51	R	32.8	Very low	32.5	Very low	215 Å²	215	150.9 Å²	150.9	81%	0.811	81%	0.812	S	S	*	*			trans	-60.4	126	179	-75.7	172.5	160.6	155.5	-7.8	112.6
52	M	26.1	Very low	32.7	Very low	171 Å²	171	152.5 Å²	152.5	84%	0.842	81%	0.811	S	S	*	*			trans	-118.6	113.5	152.2	-158.1	164.9	175.4	0	0	107.5	M54	M52-M54 PolarHBondContact O-N 3.31Å; M52-M54 VanDerWaalsContact O-N 3.16Å
53	Y	31.4	Very low	33	Very low	194 Å²	194	154.2 Å²	154.2	76%	0.761	81%	0.806	S	S	*	*			trans	-65.2	109.7	174	-71	-90.9	0	0	0	108.3
54	M	29	Very low	33.4	Very low	168 Å²	168	147 Å²	147	83%	0.828	79%	0.786	S	S	*	*			trans	-124.6	112.5	158	-101.1	-169	-163.7	0	0	108.7	M52	M52-M54 PolarHBondContact O-N 3.31Å; M52-M54 VanDerWaalsContact O-N 3.16Å
55	F	28.6	Very low	33.9	Very low	202 Å²	202	141.8 Å²	141.8	89%	0.886	77%	0.773	S	S	*	*			trans	-5.1	124.8	165	-76.4	-95.1	0	0	0	117	A57	F55-A57 PolarHBondContact O-N 2.93Å
56	H	32.2	Very low	34.5	Very low	198 Å²	198	142.4 Å²	142.4	92%	0.917	76%	0.757	S	S	*	*			trans	-49.2	101.1	155	-94.2	-75.3	0	0	0	110.4
57	A	31.4	Very low	35.1	Very low	97 Å²	97	143.4 Å²	143.4	80%	0.802	75%	0.748	S	S	*	*			trans	-108.3	69.5	148.9	0	0	0	0	0	107.3	F55	F55-A57 PolarHBondContact O-N 2.93Å
58	G	37.4	Very low	35.3	Very low	55 Å²	55	144.2 Å²	144.2	57%	0.567	75%	0.745	S	S	*	*			trans	-63.3	157	157	0	0	0	0	0	109.3
59	F	36.7	Very low	36	Very low	214 Å²	214	144.3 Å²	144.3	94%	0.939	73%	0.727	S	S	*	*			trans	79.1	70.8	-171.9	-74.8	-98.7	0	0	0	116.1
60	R	38.7	Very low	36.9	Very low	249 Å²	249	144.6 Å²	144.6	94%	0.94	72%	0.72	S	S	*	*			trans	-179.4	88.5	141.2	-100.4	163.5	-172	-133	4.9	110
61	S	38.7	Very low	37.5	Very low	76 Å²	76	140.3 Å²	140.3	53%	0.531	69%	0.693	S	S	.	*	S	Bend	trans	-163.3	-21.3	161.4	53.7	0	0	0	0	115.9	L65	S61-L65 PolarHBondContact O-N 3.08Å
62	Q	38.4	Very low	38.2	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	67%	0.666	S	S	*	*	H	α-helix	trans	-70.8	-35.1	175.4	-70.6	-170.1	-1.1	0	0	113	K66	Q62-K66 PolarHBondContact O-N 3.16Å
63	F	39.4	Very low	39.6	Very low	162 Å²	162	125.4 Å²	125.4	71%	0.711	63%	0.632	S	S	*	*	H	α-helix	trans	-66.4	-43.4	174.6	-101	-86.9	0	0	0	112.2	L65 K66 F67	F63-L65 VanDerWaalsContact C-N 3.31Å; F63-L65 PolarHBondContact O-N 3.39Å; F63-K66 PolarHBondContact O-N 3.07Å; F63-F67 HydrophobicContact CD1-CE2 4.47Å; F63-F67 VanDerWaalsContact O-CD2 3.25Å; F63-F67 WeakPolarHBondContact O-CD2 3.46Å; F63-F67 PolarHBondContact O-N 2.86Å
64	A	39.7	Very low	40.5	Very low	61 Å²	61	120 Å²	120	50%	0.504	62%	0.62	S	S	.	*	H	α-helix	trans	-65.9	-33.8	-177.8	0	0	0	0	0	112.5	F67	A64-F67 PolarHBondContact O-N 3.16Å
65	L	40.2	Very low	42	Very low	119 Å²	119	112.7 Å²	112.7	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-69.7	-33	175.3	-78.4	163.3	0	0	0	112.8	S61 F63 F67 L68	S61-L65 PolarHBondContact O-N 3.08Å; F63-L65 VanDerWaalsContact C-N 3.31Å; F63-L65 PolarHBondContact O-N 3.39Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 2.87Å; L65-L68 PolarHBondContact O-N 2.9Å
66	K	42.4	Very low	43.5	Very low	111 Å²	111	106.1 Å²	106.1	48%	0.483	56%	0.561	S	S	.	*	H	α-helix	trans	-66.9	-32.5	175.2	-75.2	-170.9	176.9	-170.1	0	112.7	Q62 F63 L68 D69 F72	Q62-K66 PolarHBondContact O-N 3.16Å; F63-K66 PolarHBondContact O-N 3.07Å; K66-L68 PolarHBondContact O-N 2.8Å; K66-D69 PolarHBondContact O-N 2.64Å; K66-F72 HydrophobicContact CB-CD2 4.08Å; K66-F72 HydrophobicContact CB-CE2 4.19Å; K66-F72 HydrophobicContact CB-CG 4.46Å; K66-F72 HydrophobicContact CD-CE2 4.48Å; K66-F72 WeakPolarHBondContact O-CB 3.32Å; K66-F72 VanDerWaalsContact O-CG 3.29Å; K66-F72 WeakPolarHBondContact O-CG 3.18Å
67	F	43.8	Very low	44.7	Very low	132 Å²	132	103.6 Å²	103.6	58%	0.579	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-18	174.6	-80.6	-76.9	0	0	0	114.1	F63 A64 L65 F72 P74	F63-F67 HydrophobicContact CD1-CE2 4.47Å; F63-F67 VanDerWaalsContact O-CD2 3.25Å; F63-F67 WeakPolarHBondContact O-CD2 3.46Å; F63-F67 PolarHBondContact O-N 2.86Å; A64-F67 PolarHBondContact O-N 3.16Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 2.87Å; F67-F72 HydrophobicContact CD1-CD1 4.2Å; F67-F72 AromaticContact CD1-CE1 3.88Å; F67-F72 HydrophobicContact CD1-CE1 3.88Å; F67-F72 AromaticContact CE1-CE1 3.79Å; F67-F72 HydrophobicContact CE1-CE1 3.79Å; F67-F72 HydrophobicContact CG-CE1 4.34Å; F67-F72 HydrophobicContact CZ-CE1 4.15Å; F67-P74 HydrophobicContact CE1-CB 4.4Å
68	L	43	Very low	45.8	Very low	140 Å²	140	102.1 Å²	102.1	73%	0.733	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.8	177	-63.4	172	0	0	0	112.6	L65 K66 P70	L65-L68 PolarHBondContact O-N 2.9Å; K66-L68 PolarHBondContact O-N 2.8Å; L68-P70 WeakPolarHBondContact O-CD 3.43Å
69	D	45.5	Very low	47	Very low	78 Å²	78	99.8 Å²	99.8	42%	0.417	51%	0.513	S	S	.	.			trans	-81.2	117.5	174.3	-172.5	-12.7	0	0	0	109.6	K66 S71 F72	K66-D69 PolarHBondContact O-N 2.64Å; D69-S71 PolarHBondContact O-N 2.8Å; D69-S71 VanDerWaalsContact OD1-CB 3.24Å; D69-S71 WeakPolarHBondContact OD1-CB 3.26Å; D69-S71 PolarHBondContact OD1-N 2.7Å; D69-S71 PolarHBondContact OD1-OG 2.86Å; D69-S71 PolarHBondContact OD2-OG 3.46Å; D69-F72 HydrophobicContact CB-CB 4.29Å; D69-F72 VanDerWaalsContact O-CB 3.28Å; D69-F72 WeakPolarHBondContact O-CB 3.24Å; D69-F72 PolarHBondContact O-N 3.48Å
70	P	46.4	Very low	48.2	Very low	105 Å²	105	91.2 Å²	91.2	68%	0.682	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.9	175.2	26	-33.8	0	0	0	113.8	L68 T348	L68-P70 WeakPolarHBondContact O-CD 3.43Å; P70-T348 WeakPolarHBondContact O-CG2 3.41Å; P70-T348 PolarHBondContact O-OG1 3.36Å; P70-T348 VanDerWaalsContact O-OG1 3.13Å
71	S	45.4	Very low	49.1	Very low	34 Å²	34	85.1 Å²	85.1	24%	0.238	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.6	170.6	86.4	0	0	0	0	113.8	D69 V73	D69-S71 PolarHBondContact O-N 2.8Å; D69-S71 VanDerWaalsContact OD1-CB 3.24Å; D69-S71 WeakPolarHBondContact OD1-CB 3.26Å; D69-S71 PolarHBondContact OD1-N 2.7Å; D69-S71 PolarHBondContact OD1-OG 2.86Å; D69-S71 PolarHBondContact OD2-OG 3.46Å; S71-V73 PolarHBondContact O-N 3.33Å
72	F	48.8	Very low	50.2	Low	53 Å²	53	86 Å²	86	23%	0.232	46%	0.455	C	S	.	.			trans	-79.5	104.9	-178.4	-172.2	-103.3	0	0	0	110.7	K66 F67 D69 P74	K66-F72 HydrophobicContact CB-CD2 4.08Å; K66-F72 HydrophobicContact CB-CE2 4.19Å; K66-F72 HydrophobicContact CB-CG 4.46Å; K66-F72 HydrophobicContact CD-CE2 4.48Å; K66-F72 WeakPolarHBondContact O-CB 3.32Å; K66-F72 VanDerWaalsContact O-CG 3.29Å; K66-F72 WeakPolarHBondContact O-CG 3.18Å; F67-F72 HydrophobicContact CD1-CD1 4.2Å; F67-F72 AromaticContact CD1-CE1 3.88Å; F67-F72 HydrophobicContact CD1-CE1 3.88Å; F67-F72 AromaticContact CE1-CE1 3.79Å; F67-F72 HydrophobicContact CE1-CE1 3.79Å; F67-F72 HydrophobicContact CG-CE1 4.34Å; F67-F72 HydrophobicContact CZ-CE1 4.15Å; D69-F72 HydrophobicContact CB-CB 4.29Å; D69-F72 VanDerWaalsContact O-CB 3.28Å; D69-F72 WeakPolarHBondContact O-CB 3.24Å; D69-F72 PolarHBondContact O-N 3.48Å; F72-P74 HydrophobicContact CD1-CB 4.48Å; F72-P74 HydrophobicContact CE1-CB 3.92Å; F72-P74 WeakPolarHBondContact O-CD 3.48Å
73	V	55.8	Low	51.4	Low	20 Å²	20	79.8 Å²	79.8	12%	0.121	43%	0.427	C	S	.	.			trans	-90.1	112.4	164.1	-177.9	0	0	0	0	107.3	S71 I75 F324 T348 W350 P357	S71-V73 PolarHBondContact O-N 3.33Å; V73-I75 PolarHBondContact O-N 2.69Å; V73-I75 VanDerWaalsContact O-N 3.08Å; V73-F324 HydrophobicContact CB-CD1 4.15Å; V73-F324 HydrophobicContact CB-CE1 4.36Å; V73-F324 HydrophobicContact CG1-CD1 4.33Å; V73-F324 HydrophobicContact CG1-CE1 4.04Å; V73-T348 HydrophobicContact CG2-CG2 4.47Å; V73-W350 HydrophobicContact CG2-CH2 4.26Å; V73-W350 HydrophobicContact CG2-CZ2 4.03Å; V73-P357 HydrophobicContact CG1-CB 4.38Å; V73-P357 HydrophobicContact CG1-CG 3.8Å
74	P	50.3	Low	52.4	Low	80 Å²	80	78.5 Å²	78.5	52%	0.519	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62.5	117.8	178.5	23.2	-30.3	0	0	0	109.1	F67 F72	F67-P74 HydrophobicContact CE1-CB 4.4Å; F72-P74 HydrophobicContact CD1-CB 4.48Å; F72-P74 HydrophobicContact CE1-CB 3.92Å; F72-P74 WeakPolarHBondContact O-CD 3.48Å
75	I	59.7	Low	53.3	Low	16 Å²	16	81.6 Å²	81.6	8%	0.082	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-67.5	135.2	161.3	-64.8	-176.3	0	0	0	106.3	V73 N77 L79 T80 L83 W322 F324 F326	V73-I75 PolarHBondContact O-N 2.69Å; V73-I75 VanDerWaalsContact O-N 3.08Å; I75-N77 PolarHBondContact O-N 2.76Å; I75-L79 HydrophobicContact CG2-CB 3.58Å; I75-L79 HydrophobicContact CG2-CD2 3.69Å; I75-L79 HydrophobicContact CG2-CG 3.83Å; I75-T80 WeakPolarHBondContact CG2-OG1 3.21Å; I75-L83 HydrophobicContact CD1-CD1 4.49Å; I75-W322 HydrophobicContact CD1-CH2 3.73Å; I75-W322 HydrophobicContact CD1-CZ2 4.29Å; I75-F324 HydrophobicContact CD1-CD1 4.36Å; I75-F324 HydrophobicContact CD1-CD2 4.18Å; I75-F324 HydrophobicContact CD1-CE1 4.41Å; I75-F324 HydrophobicContact CD1-CE2 4.21Å; I75-F324 HydrophobicContact CD1-CG 4.25Å; I75-F324 HydrophobicContact CD1-CZ 4.34Å; I75-F324 HydrophobicContact CG1-CD1 3.98Å; I75-F324 HydrophobicContact CG1-CE1 3.77Å; I75-F324 HydrophobicContact CG1-CE2 4.36Å; I75-F324 HydrophobicContact CG1-CG 4.38Å; I75-F324 HydrophobicContact CG1-CZ 3.98Å; I75-F326 HydrophobicContact CD1-CE1 4.49Å; I75-F326 HydrophobicContact CD1-CE2 3.61Å; I75-F326 HydrophobicContact CD1-CZ 3.32Å; I75-F326 HydrophobicContact CG1-CZ 3.81Å
76	T	59.5	Low	53.9	Low	63 Å²	63	85.7 Å²	85.7	39%	0.387	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-57.3	142.9	174.4	51.9	0	0	0	0	109.4	S78 L79 T80	T76-S78 PolarHBondContact O-N 3.11Å; T76-S78 VanDerWaalsContact O-N 3.08Å; T76-S78 PolarHBondContact OG1-OG 3.14Å; T76-S78 VanDerWaalsContact OG1-OG 3.07Å; T76-L79 PolarHBondContact O-N 2.84Å; T76-L79 WeakPolarHBondContact OG1-CB 3.38Å; T76-L79 PolarHBondContact OG1-N 3.01Å; T76-T80 PolarHBondContact O-N 2.91Å; T76-T80 PolarHBondContact O-OG1 3.38Å
77	N	57.2	Low	54.5	Low	146 Å²	146	85.5 Å²	85.5	78%	0.781	45%	0.45	S	S	*	.	H	α-helix	trans	-53.6	-33.7	179	-73.3	-13.3	0	0	0	111.7	I75 T80 Q81	I75-N77 PolarHBondContact O-N 2.76Å; N77-T80 PolarHBondContact O-N 3.16Å; N77-Q81 PolarHBondContact O-N 3.37Å; N77-Q81 VanDerWaalsContact O-N 3.11Å
78	S	55.2	Low	55.4	Low	66 Å²	66	84.3 Å²	84.3	46%	0.462	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-49.7	173.3	54.5	0	0	0	0	113.5	T76 T80 Q81 E82	T76-S78 PolarHBondContact O-N 3.11Å; T76-S78 VanDerWaalsContact O-N 3.08Å; T76-S78 PolarHBondContact OG1-OG 3.14Å; T76-S78 VanDerWaalsContact OG1-OG 3.07Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 2.66Å; S78-Q81 PolarHBondContact O-N 3.33Å; S78-Q81 VanDerWaalsContact O-N 3.16Å; S78-E82 WeakPolarHBondContact O-CG 3.38Å; S78-E82 PolarHBondContact O-N 3.12Å
79	L	62.5	Low	57.4	Low	6 Å²	6	87 Å²	87	3%	0.031	46%	0.464	C	S	.	.	H	α-helix	trans	-70.3	-29.3	-178.4	-173.6	71.2	0	0	0	111.3	I75 T76 Q81 L83 F360 Q361 Y364	I75-L79 HydrophobicContact CG2-CB 3.58Å; I75-L79 HydrophobicContact CG2-CD2 3.69Å; I75-L79 HydrophobicContact CG2-CG 3.83Å; T76-L79 PolarHBondContact O-N 2.84Å; T76-L79 WeakPolarHBondContact OG1-CB 3.38Å; T76-L79 PolarHBondContact OG1-N 3.01Å; L79-Q81 VanDerWaalsContact C-N 3.33Å; L79-L83 HydrophobicContact CG-CD1 4.3Å; L79-L83 WeakPolarHBondContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CD1 3.46Å; L79-L83 WeakPolarHBondContact O-CG 3.12Å; L79-L83 PolarHBondContact O-N 3.37Å; L79-F360 HydrophobicContact CD2-CD1 4.11Å; L79-F360 HydrophobicContact CD2-CE1 3.91Å; L79-Q361 HydrophobicContact CD2-CG 3.92Å; L79-Y364 HydrophobicContact CD1-CD1 3.53Å; L79-Y364 HydrophobicContact CD1-CE1 3.8Å; L79-Y364 HydrophobicContact CD1-CG 4.12Å
80	T	61.7	Low	59.7	Low	34 Å²	34	86 Å²	86	21%	0.209	46%	0.455	C	S	.	.	H	α-helix	trans	-66.2	-38.8	173	-54.4	0	0	0	0	111.5	I75 T76 N77 S78 Q84	I75-T80 WeakPolarHBondContact CG2-OG1 3.21Å; T76-T80 PolarHBondContact O-N 2.91Å; T76-T80 PolarHBondContact O-OG1 3.38Å; N77-T80 PolarHBondContact O-N 3.16Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 2.66Å; T80-Q84 VanDerWaalsContact O-CG 3.31Å; T80-Q84 WeakPolarHBondContact O-CG 3.26Å; T80-Q84 PolarHBondContact O-N 3.21Å
81	Q	57.3	Low	62.1	Low	121 Å²	121	86.2 Å²	86.2	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-71.8	-43.9	177.8	-170.1	174.2	-7.8	0	0	111.5	N77 S78 L79 L83 Q84 E85	N77-Q81 PolarHBondContact O-N 3.37Å; N77-Q81 VanDerWaalsContact O-N 3.11Å; S78-Q81 PolarHBondContact O-N 3.33Å; S78-Q81 VanDerWaalsContact O-N 3.16Å; L79-Q81 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 3.38Å; Q81-Q84 WeakPolarHBondContact O-CB 3.45Å; Q81-Q84 PolarHBondContact O-N 3.07Å; Q81-E85 PolarHBondContact O-N 3.3Å
82	E	62.5	Low	64.6	Low	93 Å²	93	86.7 Å²	86.7	44%	0.435	45%	0.452	S	S	.	.	H	α-helix	trans	-61.4	-39.6	175.6	-72.9	172.3	-176.1	0	0	112.6	S78 Q84 E85 Y364	S78-E82 WeakPolarHBondContact O-CG 3.38Å; S78-E82 PolarHBondContact O-N 3.12Å; E82-Q84 PolarHBondContact O-N 3.42Å; E82-E85 PolarHBondContact O-N 2.98Å; E82-Y364 HydrophobicContact CB-CE1 4.02Å; E82-Y364 PolarHBondContact O-OH 2.63Å; E82-Y364 WeakPolarHBondContact OE2-CE1 3.35Å
83	L	64.2	Low	67	Low	35 Å²	35	87.6 Å²	87.6	18%	0.183	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.3	174.7	-73.5	169	0	0	0	113.5	I75 L79 Q81 W322 Y364 L376	I75-L83 HydrophobicContact CD1-CD1 4.49Å; L79-L83 HydrophobicContact CG-CD1 4.3Å; L79-L83 WeakPolarHBondContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CD1 3.46Å; L79-L83 WeakPolarHBondContact O-CG 3.12Å; L79-L83 PolarHBondContact O-N 3.37Å; Q81-L83 PolarHBondContact O-N 3.38Å; L83-W322 HydrophobicContact CD1-CH2 4.06Å; L83-W322 HydrophobicContact CD1-CZ3 4.07Å; L83-Y364 HydrophobicContact CD2-CD2 4.34Å; L83-Y364 HydrophobicContact CD2-CE2 3.65Å; L83-L376 HydrophobicContact CD2-CD1 3.91Å
84	Q	58.6	Low	69	Low	136 Å²	136	91.6 Å²	91.6	64%	0.636	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-22.2	178.9	-75.8	175.5	-15.3	0	0	113.1	T80 Q81 E82 K86	T80-Q84 VanDerWaalsContact O-CG 3.31Å; T80-Q84 WeakPolarHBondContact O-CG 3.26Å; T80-Q84 PolarHBondContact O-N 3.21Å; Q81-Q84 WeakPolarHBondContact O-CB 3.45Å; Q81-Q84 PolarHBondContact O-N 3.07Å; E82-Q84 PolarHBondContact O-N 3.42Å; Q84-K86 PolarHBondContact O-N 3.45Å
85	E	58.7	Low	71.3	Confident	125 Å²	125	92.5 Å²	92.5	58%	0.584	48%	0.477	S	S	*	.	S	Bend	trans	-68.6	122.6	173.1	-71.2	-178	-179.3	0	0	109	Q81 E82 P87	Q81-E85 PolarHBondContact O-N 3.3Å; E82-E85 PolarHBondContact O-N 2.98Å; E85-P87 WeakPolarHBondContact O-CD 3.42Å
86	K	52.7	Low	73.1	Confident	206 Å²	206	93 Å²	93	90%	0.896	48%	0.483	S	S	*	.			trans	-62.7	109.6	174.2	-90.6	-177	175.7	178	0	108.1	Q84 S88	Q84-K86 PolarHBondContact O-N 3.45Å; K86-S88 PolarHBondContact O-N 3.45Å
87	P	56	Low	75	Confident	106 Å²	106	90 Å²	90	69%	0.688	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-68.3	140.4	178.7	28.9	-31.8	0	0	0	108.7	E85	E85-P87 WeakPolarHBondContact O-CD 3.42Å
88	S	62.8	Low	77	Confident	108 Å²	108	86.3 Å²	86.3	76%	0.755	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-50.5	147.9	157.3	55.4	0	0	0	0	109.1	K86 W90	K86-S88 PolarHBondContact O-N 3.45Å; S88-W90 PolarHBondContact O-N 2.78Å
89	K	84.7	Confident	79	Confident	195 Å²	195	87.7 Å²	87.7	85%	0.848	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-46.5	120.2	-179.1	-170.7	177.2	-177.9	-179.8	0	109.6	T91	K89-T91 PolarHBondContact O-N 3.27Å
90	W	93.9	Very high	80.8	Confident	59 Å²	59	88 Å²	88	22%	0.223	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-52.9	137.8	-178.9	174.5	84.3	0	0	0	110.6	S88 F92 E315 H367 T372 K373	S88-W90 PolarHBondContact O-N 2.78Å; W90-F92 HydrophobicContact CH2-CB 3.53Å; W90-F92 AromaticContact CH2-CD2 3.81Å; W90-F92 HydrophobicContact CH2-CD2 3.81Å; W90-F92 HydrophobicContact CH2-CG 4.02Å; W90-F92 HydrophobicContact CZ2-CB 4.14Å; W90-F92 AromaticContact CZ2-CD2 3.99Å; W90-F92 HydrophobicContact CZ2-CD2 3.99Å; W90-F92 HydrophobicContact CZ3-CB 3.97Å; W90-E315 HydrophobicContact CH2-CG 4.48Å; W90-E315 WeakPolarHBondContact CH2-OE1 3.46Å; W90-E315 WeakPolarHBondContact CZ3-OE1 3.33Å; W90-H367 AromaticContact CD1-CE1 3.08Å; W90-H367 AromaticContact CD1-ND1 3.2Å; W90-H367 AromaticContact CD1-NE2 3.85Å; W90-H367 AromaticContact CG-CE1 3.53Å; W90-H367 AromaticContact CG-ND1 3.95Å; W90-H367 AromaticContact NE1-CE1 3.75Å; W90-H367 AromaticContact NE1-ND1 3.37Å; W90-H367 PolarHBondContact NE1-ND1 2.93Å; W90-H367 PolarHBondContact NE1-O 3.18Å; W90-H367 VanDerWaalsContact NE1-O 3.15Å; W90-T372 VanDerWaalsContact CZ2-C 3.46Å; W90-T372 PolarHBondContact NE1-O 3.34Å; W90-K373 HydrophobicContact CD2-CB 4Å; W90-K373 HydrophobicContact CD2-CG 3.97Å; W90-K373 HydrophobicContact CE3-CB 3.95Å; W90-K373 HydrophobicContact CE3-CD 4.05Å; W90-K373 HydrophobicContact CE3-CG 3.87Å; W90-K373 HydrophobicContact CH2-CB 3.74Å; W90-K373 HydrophobicContact CZ2-CB 3.8Å; W90-K373 HydrophobicContact CZ3-CB 3.82Å; W90-K373 HydrophobicContact CZ3-CD 4.19Å; W90-K373 HydrophobicContact CZ3-CG 4.17Å
91	T	96.3	Very high	82.5	Confident	109 Å²	109	88 Å²	88	67%	0.669	44%	0.443	S	S	*	.			trans	-125.8	136.9	179	51.9	0	0	0	0	110	K89 N93 G370	K89-T91 PolarHBondContact O-N 3.27Å; T91-N93 PolarHBondContact O-N 3.09Å; T91-G370 WeakPolarHBondContact O-CA 3.4Å
92	F	98.3	Very high	84.5	Confident	44 Å²	44	87.7 Å²	87.7	19%	0.193	44%	0.442	C	S	.	.			trans	-78.4	122.4	-179.9	-177.2	-131.8	0	0	0	110.9	W90 R94 F97 E314 E315 G370	W90-F92 HydrophobicContact CH2-CB 3.53Å; W90-F92 AromaticContact CH2-CD2 3.81Å; W90-F92 HydrophobicContact CH2-CD2 3.81Å; W90-F92 HydrophobicContact CH2-CG 4.02Å; W90-F92 HydrophobicContact CZ2-CB 4.14Å; W90-F92 AromaticContact CZ2-CD2 3.99Å; W90-F92 HydrophobicContact CZ2-CD2 3.99Å; W90-F92 HydrophobicContact CZ3-CB 3.97Å; F92-R94 HydrophobicContact CD1-CB 4.1Å; F92-R94 HydrophobicContact CE1-CB 3.74Å; F92-R94 HydrophobicContact CE1-CG 4.08Å; F92-R94 HydrophobicContact CZ-CB 4.36Å; F92-R94 PolarHBondContact O-N 3.03Å; F92-F97 HydrophobicContact CE2-CB 3.71Å; F92-F97 HydrophobicContact CE2-CD1 4.36Å; F92-F97 AromaticContact CE2-CG 3.95Å; F92-F97 HydrophobicContact CE2-CG 3.95Å; F92-F97 HydrophobicContact CZ-CB 3.74Å; F92-F97 AromaticContact CZ-CD1 3.78Å; F92-F97 HydrophobicContact CZ-CD1 3.78Å; F92-F97 AromaticContact CZ-CG 3.81Å; F92-F97 HydrophobicContact CZ-CG 3.81Å; F92-E314 WeakPolarHBondContact CE1-O 3.3Å; F92-E314 WeakPolarHBondContact CZ-O 3.07Å; F92-E315 HydrophobicContact CD1-CB 4.34Å; F92-E315 HydrophobicContact CD1-CG 3.98Å; F92-E315 VanDerWaalsContact CD1-OE2 3.27Å; F92-E315 WeakPolarHBondContact CD1-OE2 3.46Å; F92-E315 HydrophobicContact CD2-CG 3.91Å; F92-E315 HydrophobicContact CE1-CB 3.93Å; F92-E315 HydrophobicContact CE1-CG 3.98Å; F92-E315 HydrophobicContact CE2-CB 4.42Å; F92-E315 HydrophobicContact CE2-CG 3.93Å; F92-E315 HydrophobicContact CG-CG 3.95Å; F92-E315 HydrophobicContact CZ-CB 3.98Å; F92-E315 HydrophobicContact CZ-CG 3.97Å; F92-G370 VanDerWaalsContact CD2-O 3.27Å; F92-G370 WeakPolarHBondContact CD2-O 3.25Å
93	N	98.3	Very high	86.2	Confident	71 Å²	71	86.8 Å²	86.8	38%	0.38	44%	0.438	S	S	.	.			trans	-95.5	84.1	172.8	-172.4	-14.6	0	0	0	109.7	T91 T95 A96 F97 G370	T91-N93 PolarHBondContact O-N 3.09Å; N93-T95 VanDerWaalsContact C-N 3.27Å; N93-T95 PolarHBondContact O-N 3.42Å; N93-T95 PolarHBondContact OD1-N 3.04Å; N93-A96 HydrophobicContact CB-CB 4.12Å; N93-A96 VanDerWaalsContact CG-CB 3.49Å; N93-A96 PolarHBondContact O-N 3.02Å; N93-A96 PolarHBondContact OD1-N 3.11Å; N93-A96 VanDerWaalsContact OD1-N 3.17Å; N93-F97 PolarHBondContact O-N 3.45Å; N93-G370 PolarHBondContact N-O 3.24Å
94	R	98.4	Very high	87.8	Confident	105 Å²	105	85.1 Å²	85.1	40%	0.396	43%	0.429	S	S	.	.	H	α-helix	trans	-54.8	-41.5	-178.3	-176.5	178.4	-70.2	-95.5	-2.8	112.6	F92 F97 L98 E314	F92-R94 HydrophobicContact CD1-CB 4.1Å; F92-R94 HydrophobicContact CE1-CB 3.74Å; F92-R94 HydrophobicContact CE1-CG 4.08Å; F92-R94 HydrophobicContact CZ-CB 4.36Å; F92-R94 PolarHBondContact O-N 3.03Å; R94-F97 PolarHBondContact O-N 3.43Å; R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 HydrophobicContact CG-CG 4.35Å; R94-L98 WeakPolarHBondContact O-CG 3.4Å; R94-L98 PolarHBondContact O-N 3.29Å; R94-E314 IonicContact NH1-OE2 3.68Å; R94-E314 PolarHBondContact NH1-OE2 3.23Å
95	T	98.5	Very high	89.7	Confident	99 Å²	99	82.2 Å²	82.2	61%	0.607	42%	0.418	S	S	*	.	H	α-helix	trans	-62.9	-47.8	-179	-54.7	0	0	0	0	111.3	N93 F97 L98 L99	N93-T95 VanDerWaalsContact C-N 3.27Å; N93-T95 PolarHBondContact O-N 3.42Å; N93-T95 PolarHBondContact OD1-N 3.04Å; T95-F97 VanDerWaalsContact C-N 3.32Å; T95-F97 PolarHBondContact O-N 2.9Å; T95-L98 PolarHBondContact O-N 3.41Å; T95-L99 WeakPolarHBondContact O-CG 3.3Å; T95-L99 PolarHBondContact O-N 3.05Å
96	A	98.4	Very high	91.5	Very high	26 Å²	26	82.6 Å²	82.6	22%	0.215	42%	0.419	C	S	.	.	H	α-helix	trans	-63.8	-39	178.2	0	0	0	0	0	111.6	N93 L99 Q100 L371	N93-A96 HydrophobicContact CB-CB 4.12Å; N93-A96 VanDerWaalsContact CG-CB 3.49Å; N93-A96 PolarHBondContact O-N 3.02Å; N93-A96 PolarHBondContact OD1-N 3.11Å; N93-A96 VanDerWaalsContact OD1-N 3.17Å; A96-L99 PolarHBondContact O-N 3Å; A96-Q100 PolarHBondContact O-N 3.24Å; A96-L371 HydrophobicContact CB-CD2 3.5Å; A96-L371 VanDerWaalsContact CB-CD2 3.5Å; A96-L371 VanDerWaalsContact O-CD2 3.31Å; A96-L371 WeakPolarHBondContact O-CD2 3.33Å
97	F	98.8	Very high	93.7	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-64.1	-42	175.8	175.9	-103.4	0	0	0	112.6	F92 N93 R94 T95 L99 Q100 R101 C313 E314 I316 L371	F92-F97 HydrophobicContact CE2-CB 3.71Å; F92-F97 HydrophobicContact CE2-CD1 4.36Å; F92-F97 AromaticContact CE2-CG 3.95Å; F92-F97 HydrophobicContact CE2-CG 3.95Å; F92-F97 HydrophobicContact CZ-CB 3.74Å; F92-F97 AromaticContact CZ-CD1 3.78Å; F92-F97 HydrophobicContact CZ-CD1 3.78Å; F92-F97 AromaticContact CZ-CG 3.81Å; F92-F97 HydrophobicContact CZ-CG 3.81Å; N93-F97 PolarHBondContact O-N 3.45Å; R94-F97 PolarHBondContact O-N 3.43Å; T95-F97 VanDerWaalsContact C-N 3.32Å; T95-F97 PolarHBondContact O-N 2.9Å; F97-L99 PolarHBondContact O-N 3.48Å; F97-Q100 WeakPolarHBondContact O-CB 3.18Å; F97-Q100 PolarHBondContact O-N 3.49Å; F97-R101 PolarHBondContact O-N 3.22Å; F97-C313 WeakPolarHBondContact CE1-O 3.31Å; F97-C313 VanDerWaalsContact CZ-O 3.24Å; F97-C313 WeakPolarHBondContact CZ-O 3.32Å; F97-E314 WeakPolarHBondContact CD1-O 3.4Å; F97-E314 WeakPolarHBondContact CE1-O 3.44Å; F97-I316 HydrophobicContact CE2-CD1 3.82Å; F97-I316 HydrophobicContact CE2-CG1 4.19Å; F97-I316 HydrophobicContact CZ-CD1 3.93Å; F97-I316 HydrophobicContact CZ-CG1 4.13Å; F97-L371 HydrophobicContact CB-CD2 4.38Å; F97-L371 VanDerWaalsContact CD2-O 3.31Å; F97-L371 WeakPolarHBondContact CD2-O 3.41Å; F97-L371 VanDerWaalsContact N-CD2 3.35Å
98	L	98.6	Very high	95.7	Very high	69 Å²	69	70.6 Å²	70.6	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-38.4	176.4	-71.3	175	0	0	0	112.4	R94 T95 Q100 R101 Q102	R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 HydrophobicContact CG-CG 4.35Å; R94-L98 WeakPolarHBondContact O-CG 3.4Å; R94-L98 PolarHBondContact O-N 3.29Å; T95-L98 PolarHBondContact O-N 3.41Å; L98-Q100 VanDerWaalsContact C-N 3.35Å; L98-R101 WeakPolarHBondContact O-CB 3.29Å; L98-R101 PolarHBondContact O-N 2.8Å; L98-Q102 PolarHBondContact O-N 2.81Å
99	L	98.6	Very high	97.3	Very high	95 Å²	95	69.5 Å²	69.5	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-44.3	172.1	-70.5	172	0	0	0	111	T95 A96 F97 R101 Q102 E103	T95-L99 WeakPolarHBondContact O-CG 3.3Å; T95-L99 PolarHBondContact O-N 3.05Å; A96-L99 PolarHBondContact O-N 3Å; F97-L99 PolarHBondContact O-N 3.48Å; L99-R101 PolarHBondContact O-N 2.82Å; L99-Q102 WeakPolarHBondContact O-CB 3.26Å; L99-Q102 PolarHBondContact O-N 3.28Å; L99-E103 WeakPolarHBondContact O-CG 3.45Å; L99-E103 PolarHBondContact O-N 2.89Å
100	Q	98.6	Very high	98	Very high	11 Å²	11	60.2 Å²	60.2	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.8	-174.6	179.1	52.5	0	0	112.3	A96 F97 L98 Q102 E103 I104 Y288 Y306 L371	A96-Q100 PolarHBondContact O-N 3.24Å; F97-Q100 WeakPolarHBondContact O-CB 3.18Å; F97-Q100 PolarHBondContact O-N 3.49Å; L98-Q100 VanDerWaalsContact C-N 3.35Å; Q100-Q102 VanDerWaalsContact C-N 3.29Å; Q100-Q102 PolarHBondContact O-N 2.01Å; Q100-E103 PolarHBondContact O-N 2.83Å; Q100-I104 HydrophobicContact CG-CD1 4.11Å; Q100-I104 WeakPolarHBondContact O-CG1 3.36Å; Q100-I104 PolarHBondContact O-N 3.34Å; Q100-Y288 WeakPolarHBondContact CG-OH 3.14Å; Q100-Y288 PolarHBondContact NE2-OH 3.2Å; Q100-Y306 PolarHBondContact OE1-OH 2.94Å; Q100-L371 HydrophobicContact CB-CD2 4.32Å
101	R	98.7	Very high	98.2	Very high	34 Å²	34	59.6 Å²	59.6	13%	0.128	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-47.4	173.7	174.2	-169.9	-68.9	176.5	-4.9	110.3	F97 L98 L99 I104 L105 S310 C313 E314	F97-R101 PolarHBondContact O-N 3.22Å; L98-R101 WeakPolarHBondContact O-CB 3.29Å; L98-R101 PolarHBondContact O-N 2.8Å; L99-R101 PolarHBondContact O-N 2.82Å; R101-I104 PolarHBondContact O-N 3.38Å; R101-L105 HydrophobicContact CG-CD1 3.94Å; R101-L105 HydrophobicContact CG-CG 4.49Å; R101-L105 WeakPolarHBondContact O-CB 3.41Å; R101-L105 VanDerWaalsContact O-CG 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.37Å; R101-S310 WeakPolarHBondContact CD-O 3.39Å; R101-S310 VanDerWaalsContact CG-O 3.32Å; R101-S310 WeakPolarHBondContact CG-O 3.31Å; R101-S310 PolarHBondContact NE-O 3.32Å; R101-C313 PolarHBondContact NH2-O 3.02Å; R101-E314 IonicContact CZ-OE1 2.99Å; R101-E314 IonicContact NH1-OE1 3.61Å; R101-E314 PolarHBondContact NH1-OE1 2.89Å; R101-E314 IonicContact NH2-OE1 3.43Å; R101-E314 PolarHBondContact NH2-OE1 3.03Å
102	Q	98.4	Very high	98.3	Very high	115 Å²	115	61.6 Å²	61.6	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-44.3	178.6	-172.6	178.3	1	0	0	111.9	L98 L99 Q100 I104 L105 Q106	L98-Q102 PolarHBondContact O-N 2.81Å; L99-Q102 WeakPolarHBondContact O-CB 3.26Å; L99-Q102 PolarHBondContact O-N 3.28Å; Q100-Q102 VanDerWaalsContact C-N 3.29Å; Q100-Q102 PolarHBondContact O-N 2.01Å; Q102-I104 PolarHBondContact O-N 2.89Å; Q102-L105 PolarHBondContact O-N 3.01Å; Q102-Q106 WeakPolarHBondContact O-CG 3.34Å; Q102-Q106 PolarHBondContact O-N 3.05Å
103	E	98.3	Very high	98.3	Very high	74 Å²	74	60.7 Å²	60.7	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-44	175.3	-72.6	-178.3	-171.4	0	0	112.2	L99 Q100 L105 Q106 H107 Y288 K292	L99-E103 WeakPolarHBondContact O-CG 3.45Å; L99-E103 PolarHBondContact O-N 2.89Å; Q100-E103 PolarHBondContact O-N 2.83Å; E103-L105 VanDerWaalsContact C-N 3.34Å; E103-L105 PolarHBondContact O-N 2.69Å; E103-Q106 PolarHBondContact O-N 3.03Å; E103-H107 PolarHBondContact O-ND1 2.88Å; E103-Y288 HydrophobicContact CB-CD2 4.45Å; E103-Y288 HydrophobicContact CB-CE2 4Å; E103-K292 IonicContact OE1-NZ 3.63Å; E103-K292 WeakPolarHBondContact OE2-CE 3.47Å; E103-K292 IonicContact OE2-NZ 2.82Å; E103-K292 PolarHBondContact OE2-NZ 2.82Å
104	I	98.5	Very high	98.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-47.9	176.2	-70.3	169	0	0	0	109.9	Q100 R101 Q102 Q106 H107 V108 V110 Y288 T307 S310	Q100-I104 HydrophobicContact CG-CD1 4.11Å; Q100-I104 WeakPolarHBondContact O-CG1 3.36Å; Q100-I104 PolarHBondContact O-N 3.34Å; R101-I104 PolarHBondContact O-N 3.38Å; Q102-I104 PolarHBondContact O-N 2.89Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; I104-Q106 PolarHBondContact O-N 3.39Å; I104-H107 PolarHBondContact O-N 3.41Å; I104-V108 PolarHBondContact O-N 2.87Å; I104-V110 HydrophobicContact CG2-CG2 4.16Å; I104-Y288 HydrophobicContact CB-CD2 4.43Å; I104-Y288 HydrophobicContact CD1-CE1 3.97Å; I104-Y288 HydrophobicContact CG1-CD1 3.81Å; I104-Y288 HydrophobicContact CG1-CD2 3.73Å; I104-Y288 HydrophobicContact CG1-CE1 3.57Å; I104-Y288 HydrophobicContact CG1-CE2 3.5Å; I104-Y288 HydrophobicContact CG1-CG 3.89Å; I104-Y288 VanDerWaalsContact CG1-CZ 3.41Å; I104-T307 HydrophobicContact CG2-CG2 3.84Å; I104-S310 WeakPolarHBondContact CD1-OG 3.34Å
105	L	98	Very high	98.3	Very high	76 Å²	76	52.6 Å²	52.6	40%	0.398	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-25.5	-177.3	-68.7	175.2	0	0	0	113.6	R101 Q102 E103 H107 V108 V110 A311	R101-L105 HydrophobicContact CG-CD1 3.94Å; R101-L105 HydrophobicContact CG-CG 4.49Å; R101-L105 WeakPolarHBondContact O-CB 3.41Å; R101-L105 VanDerWaalsContact O-CG 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.37Å; Q102-L105 PolarHBondContact O-N 3.01Å; E103-L105 VanDerWaalsContact C-N 3.34Å; E103-L105 PolarHBondContact O-N 2.69Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 3.46Å; L105-V108 WeakPolarHBondContact CA-O 3.42Å; L105-V110 HydrophobicContact CD2-CB 4.09Å; L105-V110 HydrophobicContact CD2-CG2 3.95Å; L105-A311 HydrophobicContact CD2-CB 4.08Å
106	Q	97.8	Very high	98.3	Very high	132 Å²	132	49.2 Å²	49.2	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-67.5	-27.2	171.2	-73.5	170.2	-0.1	0	0	112.9	Q102 E103 I104	Q102-Q106 WeakPolarHBondContact O-CG 3.34Å; Q102-Q106 PolarHBondContact O-N 3.05Å; E103-Q106 PolarHBondContact O-N 3.03Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; I104-Q106 PolarHBondContact O-N 3.39Å
107	H	97.1	Very high	98.4	Very high	59 Å²	59	49.4 Å²	49.4	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-102.1	-27.2	-177.4	-64.2	82.1	0	0	0	112.9	E103 I104 L105 R287 N291	E103-H107 PolarHBondContact O-ND1 2.88Å; I104-H107 PolarHBondContact O-N 3.41Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 3.46Å; H107-R287 HydrophobicContact CB-CB 4.45Å; H107-N291 PolarHBondContact NE2-ND2 3.39Å
108	V	97.7	Very high	98.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	25%	0.25	C	S	.	.			trans	-135.6	113.4	-172.5	-168.4	0	0	0	0	109.3	I104 L105 V110 V285	I104-V108 PolarHBondContact O-N 2.87Å; L105-V108 WeakPolarHBondContact CA-O 3.42Å; V108-V110 HydrophobicContact CB-CG2 4.18Å; V108-V110 HydrophobicContact CG1-CG2 3.97Å; V108-V110 PolarHBondContact O-N 2.8Å; V108-V285 HydrophobicContact CG1-CG2 4.25Å
109	D	98.1	Very high	98.3	Very high	84 Å²	84	54.6 Å²	54.6	45%	0.449	27%	0.267	S	S	.	.			trans	-70.8	85.3	164.5	-179.5	-13.5	0	0	0	108.4	I111 K112 N113	D109-I111 VanDerWaalsContact C-N 3.31Å; D109-I111 PolarHBondContact O-N 3.41Å; D109-K112 HydrophobicContact CB-CB 4.19Å; D109-K112 PolarHBondContact O-N 3.32Å; D109-K112 WeakPolarHBondContact OD1-CB 2.92Å; D109-K112 PolarHBondContact OD1-N 3Å; D109-K112 WeakPolarHBondContact OD2-CB 3.19Å; D109-K112 WeakPolarHBondContact OD2-CD 3.45Å; D109-N113 VanDerWaalsContact O-CB 3.22Å; D109-N113 WeakPolarHBondContact O-CB 3.48Å; D109-N113 PolarHBondContact O-N 3.35Å; D109-N113 PolarHBondContact O-ND2 2.96Å
110	V	98.2	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-40.7	-172	173.3	0	0	0	0	111.1	I104 L105 V108 K112 N113 F114 I154 L308 A311	I104-V110 HydrophobicContact CG2-CG2 4.16Å; L105-V110 HydrophobicContact CD2-CB 4.09Å; L105-V110 HydrophobicContact CD2-CG2 3.95Å; V108-V110 HydrophobicContact CB-CG2 4.18Å; V108-V110 HydrophobicContact CG1-CG2 3.97Å; V108-V110 PolarHBondContact O-N 2.8Å; V110-K112 PolarHBondContact O-N 2.74Å; V110-N113 PolarHBondContact O-N 3.31Å; V110-F114 VanDerWaalsContact O-CB 3.32Å; V110-F114 WeakPolarHBondContact O-CB 3.32Å; V110-F114 PolarHBondContact O-N 2.85Å; V110-I154 HydrophobicContact CG1-CD1 4.16Å; V110-L308 HydrophobicContact CG1-CD2 3.9Å; V110-A311 HydrophobicContact CB-CB 3.67Å; V110-A311 HydrophobicContact CG1-CB 3.48Å; V110-A311 VanDerWaalsContact CG1-CB 3.48Å; V110-A311 HydrophobicContact CG2-CB 4.1Å
111	I	98.4	Very high	98.3	Very high	47 Å²	47	52.6 Å²	52.6	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-45.4	-178.2	-55.5	-56	0	0	0	110.5	D109 S152 I154 M155 I312	D109-I111 VanDerWaalsContact C-N 3.31Å; D109-I111 PolarHBondContact O-N 3.41Å; I111-S152 WeakPolarHBondContact O-CB 3.45Å; I111-S152 PolarHBondContact O-OG 2.9Å; I111-I154 HydrophobicContact CD1-CD1 3.73Å; I111-I154 HydrophobicContact CD1-CG1 3.91Å; I111-M155 HydrophobicContact CG2-CB 4.22Å; I111-M155 HydrophobicContact CG2-CE 4.5Å; I111-I312 HydrophobicContact CD1-CG2 4.38Å
112	K	98.2	Very high	98.3	Very high	151 Å²	151	59.8 Å²	59.8	66%	0.657	29%	0.289	S	S	*	.	H	α-helix	trans	-71.5	-41.9	176.8	-175.7	179.1	178.6	177.1	0	112.8	D109 V110 F114	D109-K112 HydrophobicContact CB-CB 4.19Å; D109-K112 PolarHBondContact O-N 3.32Å; D109-K112 WeakPolarHBondContact OD1-CB 2.92Å; D109-K112 PolarHBondContact OD1-N 3Å; D109-K112 WeakPolarHBondContact OD2-CB 3.19Å; D109-K112 WeakPolarHBondContact OD2-CD 3.45Å; V110-K112 PolarHBondContact O-N 2.74Å; K112-F114 PolarHBondContact O-N 2.85Å
113	N	98.3	Very high	98.3	Very high	25 Å²	25	59.1 Å²	59.1	13%	0.134	29%	0.289	C	S	.	.	H	α-helix	trans	-73.4	-15.8	-178.1	-74.7	-59	0	0	0	112.9	D109 V110 S115 I281	D109-N113 VanDerWaalsContact O-CB 3.22Å; D109-N113 WeakPolarHBondContact O-CB 3.48Å; D109-N113 PolarHBondContact O-N 3.35Å; D109-N113 PolarHBondContact O-ND2 2.96Å; V110-N113 PolarHBondContact O-N 3.31Å; N113-S115 VanDerWaalsContact C-N 3.3Å; N113-S115 PolarHBondContact O-N 2.83Å; N113-I281 HydrophobicContact CB-CB 4.16Å; N113-I281 HydrophobicContact CB-CG2 3.75Å; N113-I281 WeakPolarHBondContact OD1-CG2 3.45Å
114	F	98.8	Very high	98.3	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.6	178	-173.7	-90.9	0	0	0	112.7	V110 K112 P153 I154 L207 I242 W244 A276 L308	V110-F114 VanDerWaalsContact O-CB 3.32Å; V110-F114 WeakPolarHBondContact O-CB 3.32Å; V110-F114 PolarHBondContact O-N 2.85Å; K112-F114 PolarHBondContact O-N 2.85Å; F114-P153 HydrophobicContact CD1-CB 4.49Å; F114-P153 HydrophobicContact CD1-CG 4.33Å; F114-P153 HydrophobicContact CE1-CB 3.98Å; F114-P153 HydrophobicContact CE1-CG 4.05Å; F114-I154 HydrophobicContact CB-CD1 3.68Å; F114-I154 HydrophobicContact CB-CG1 3.88Å; F114-I154 HydrophobicContact CD1-CD1 4.44Å; F114-I154 HydrophobicContact CD1-CG1 4.04Å; F114-I154 HydrophobicContact CD1-CG2 4.14Å; F114-I154 HydrophobicContact CD2-CD1 3.47Å; F114-I154 VanDerWaalsContact CD2-CD1 3.47Å; F114-I154 HydrophobicContact CD2-CG1 3.94Å; F114-I154 HydrophobicContact CD2-CG2 3.99Å; F114-I154 HydrophobicContact CE1-CG2 3.81Å; F114-I154 HydrophobicContact CE2-CD1 4.18Å; F114-I154 HydrophobicContact CE2-CG1 4.47Å; F114-I154 HydrophobicContact CE2-CG2 3.65Å; F114-I154 HydrophobicContact CG-CD1 3.61Å; F114-I154 HydrophobicContact CG-CG1 3.68Å; F114-I154 HydrophobicContact CG-CG2 4.21Å; F114-I154 HydrophobicContact CZ-CG2 3.53Å; F114-L207 HydrophobicContact CE2-CD1 3.66Å; F114-L207 HydrophobicContact CZ-CD1 3.53Å; F114-I242 HydrophobicContact CE1-CD1 4.27Å; F114-I242 HydrophobicContact CE1-CG2 4.16Å; F114-I242 HydrophobicContact CZ-CD1 3.97Å; F114-I242 HydrophobicContact CZ-CG2 4Å; F114-W244 AromaticContact CD2-NE1 3.86Å; F114-W244 AromaticContact CE1-CD1 3.85Å; F114-W244 AromaticContact CE2-CD1 3.78Å; F114-W244 AromaticContact CE2-NE1 3.91Å; F114-W244 AromaticContact CZ-CD1 3.61Å; F114-W244 PolarHBondContact O-NE1 2.94Å; F114-A276 HydrophobicContact CD1-CB 4.15Å; F114-A276 HydrophobicContact CE1-CB 3.61Å; F114-A276 HydrophobicContact CZ-CB 4.39Å; F114-L308 HydrophobicContact CD2-CD1 3.98Å; F114-L308 HydrophobicContact CD2-CD2 4.42Å; F114-L308 HydrophobicContact CE2-CD1 4.17Å
115	S	98.9	Very high	98.3	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.028	30%	0.304	C	S	.	.			trans	-156.2	140.8	175.9	-173.1	0	0	0	0	111	N113 W277	N113-S115 VanDerWaalsContact C-N 3.3Å; N113-S115 PolarHBondContact O-N 2.83Å; S115-W277 PolarHBondContact OG-N 3.37Å
116	L	98.8	Very high	98.3	Very high	28 Å²	28	61.1 Å²	61.1	15%	0.147	31%	0.309	C	S	.	.			trans	-55.6	145.4	156.1	-61.8	171.3	0	0	0	109	V121 M127 L148 P149 F248 W277	L116-V121 HydrophobicContact CB-CG1 4.43Å; L116-V121 HydrophobicContact CD1-CG1 4.08Å; L116-V121 HydrophobicContact CD2-CG1 4.11Å; L116-V121 HydrophobicContact CG-CG1 4.44Å; L116-M127 HydrophobicContact CD1-CE 4.12Å; L116-L148 HydrophobicContact CB-CD1 4.05Å; L116-L148 HydrophobicContact CB-CD2 4.07Å; L116-P149 WeakPolarHBondContact O-CD 3.42Å; L116-F248 HydrophobicContact CD1-CD2 4.18Å; L116-F248 HydrophobicContact CD1-CE2 3.64Å; L116-W277 WeakPolarHBondContact CB-O 2.95Å; L116-W277 WeakPolarHBondContact CG-O 3.26Å; L116-W277 PolarHBondContact N-O 2.93Å
117	T	98.8	Very high	98.3	Very high	30 Å²	30	55.3 Å²	55.3	18%	0.184	28%	0.282	C	S	.	.			trans	-113.2	162.4	172.7	64.9	0	0	0	0	110.6	N119 S120 P149	T117-N119 PolarHBondContact O-N 3.24Å; T117-N119 VanDerWaalsContact O-N 3.08Å; T117-S120 PolarHBondContact N-OG 3.12Å; T117-S120 PolarHBondContact O-N 3.37Å; T117-S120 PolarHBondContact O-OG 3.32Å; T117-S120 PolarHBondContact OG1-N 3.01Å; T117-P149 CarbonylContact C-O 3.49Å; T117-P149 WeakPolarHBondContact CA-O 3.11Å; T117-P149 WeakPolarHBondContact CB-O 3.31Å
118	K	98.6	Very high	98.4	Very high	43 Å²	43	55 Å²	55	19%	0.187	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-51.1	-36.8	178.6	-59.7	-161.4	-175.2	66.4	0	112.7	R145 L148 P149 D150	K118-R145 PolarHBondContact O-NE 3.42Å; K118-R145 PolarHBondContact O-NH2 3.44Å; K118-L148 WeakPolarHBondContact CE-O 3.47Å; K118-L148 HydrophobicContact CG-CB 4.06Å; K118-L148 WeakPolarHBondContact CG-O 3.49Å; K118-L148 PolarHBondContact NZ-O 3.03Å; K118-P149 PolarHBondContact N-O 3.1Å; K118-D150 VanDerWaalsContact CD-OD1 3.23Å; K118-D150 WeakPolarHBondContact CD-OD1 3.2Å; K118-D150 WeakPolarHBondContact CE-OD1 3.18Å; K118-D150 IonicContact NZ-OD1 2.89Å; K118-D150 PolarHBondContact NZ-OD1 2.85Å; K118-D150 IonicContact NZ-OD2 2.67Å; K118-D150 PolarHBondContact NZ-OD2 2.85Å
119	N	97.7	Very high	98.4	Very high	135 Å²	135	55.3 Å²	55.3	72%	0.722	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-87.3	-12.5	-177.3	-65.2	-23.3	0	0	0	113.9	T117 V121 R145	T117-N119 PolarHBondContact O-N 3.24Å; T117-N119 VanDerWaalsContact O-N 3.08Å; N119-V121 VanDerWaalsContact C-N 3.33Å; N119-R145 PolarHBondContact OD1-NH2 3.44Å
120	S	98.1	Very high	98.4	Very high	59 Å²	59	53.2 Å²	53.2	41%	0.413	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-81.7	-10.7	178.5	70.9	0	0	0	0	114.1	T117	T117-S120 PolarHBondContact N-OG 3.12Å; T117-S120 PolarHBondContact O-N 3.37Å; T117-S120 PolarHBondContact O-OG 3.32Å; T117-S120 PolarHBondContact OG1-N 3.01Å
121	V	98.4	Very high	98.3	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.036	28%	0.28	C	S	.	.			trans	-130.7	152.5	-178.1	-60.7	0	0	0	0	112.3	L116 N119 Q125 I140 R145 L148	L116-V121 HydrophobicContact CB-CG1 4.43Å; L116-V121 HydrophobicContact CD1-CG1 4.08Å; L116-V121 HydrophobicContact CD2-CG1 4.11Å; L116-V121 HydrophobicContact CG-CG1 4.44Å; N119-V121 VanDerWaalsContact C-N 3.33Å; V121-Q125 VanDerWaalsContact CA-OE1 3.26Å; V121-I140 HydrophobicContact CB-CG2 4.47Å; V121-I140 HydrophobicContact CG2-CG2 4.12Å; V121-R145 HydrophobicContact CG2-CG 4.13Å; V121-L148 HydrophobicContact CG2-CD1 3.45Å; V121-L148 VanDerWaalsContact CG2-CD1 3.45Å
122	R	98.6	Very high	98.3	Very high	184 Å²	184	54.8 Å²	54.8	69%	0.694	28%	0.278	S	S	*	.			trans	-106.8	146.3	172.6	-64	-176	-65.3	-83.3	0.9	111	G124 Q125	R122-G124 PolarHBondContact O-N 3.28Å; R122-Q125 HydrophobicContact CB-CB 4.38Å; R122-Q125 WeakPolarHBondContact O-CB 3.48Å; R122-Q125 PolarHBondContact O-N 3.15Å; R122-Q125 VanDerWaalsContact O-N 3.08Å
123	I	98.6	Very high	98.2	Very high	101 Å²	101	50.9 Å²	50.9	52%	0.518	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	133.7	168.9	-61.9	171.4	0	0	0	108	Q125 N142	I123-Q125 VanDerWaalsContact C-N 3.3Å; I123-Q125 PolarHBondContact O-N 2.8Å; I123-N142 HydrophobicContact CD1-CB 4.05Å
124	G	98.3	Very high	98.1	Very high	41 Å²	41	56.2 Å²	56.2	42%	0.423	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-8.2	-174.8	0	0	0	0	0	114.9	R122 L126 I140	R122-G124 PolarHBondContact O-N 3.28Å; G124-L126 PolarHBondContact O-N 3.37Å; G124-I140 PolarHBondContact N-O 2.93Å
125	Q	98.6	Very high	98.1	Very high	54 Å²	54	63.3 Å²	63.3	25%	0.252	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-58.6	134.5	175.9	178	175.9	-14.8	0	0	110.9	V121 R122 I123 M127 S139 I140	V121-Q125 VanDerWaalsContact CA-OE1 3.26Å; R122-Q125 HydrophobicContact CB-CB 4.38Å; R122-Q125 WeakPolarHBondContact O-CB 3.48Å; R122-Q125 PolarHBondContact O-N 3.15Å; R122-Q125 VanDerWaalsContact O-N 3.08Å; I123-Q125 VanDerWaalsContact C-N 3.3Å; I123-Q125 PolarHBondContact O-N 2.8Å; Q125-M127 HydrophobicContact CG-SD 4.25Å; Q125-S139 CarbonylContact O-C 3.42Å; Q125-S139 WeakPolarHBondContact O-CA 3.2Å; Q125-I140 HydrophobicContact CB-CB 4.42Å; Q125-I140 HydrophobicContact CB-CG1 4.21Å; Q125-I140 PolarHBondContact O-N 3.38Å
126	L	98.5	Very high	98	Very high	97 Å²	97	67 Å²	67	51%	0.508	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117	176.1	-57.7	-176.8	0	0	0	110	G124 V137	G124-L126 PolarHBondContact O-N 3.37Å; L126-V137 HydrophobicContact CB-CB 4.39Å; L126-V137 HydrophobicContact CB-CG1 4.44Å
127	M	98.4	Very high	98	Very high	10 Å²	10	68.9 Å²	68.9	5%	0.049	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.3	171.9	-58.4	-59.9	-68.3	0	0	109.8	L116 Q125 V137 F138 I140 F248	L116-M127 HydrophobicContact CD1-CE 4.12Å; Q125-M127 HydrophobicContact CG-SD 4.25Å; M127-V137 CarbonylContact O-C 3.59Å; M127-V137 VanDerWaalsContact O-CA 3.26Å; M127-V137 WeakPolarHBondContact O-CA 3.32Å; M127-F138 HydrophobicContact CB-CB 4.43Å; M127-F138 PolarHBondContact N-O 3.05Å; M127-F138 PolarHBondContact O-N 2.85Å; M127-I140 HydrophobicContact CG-CD1 3.53Å; M127-I140 HydrophobicContact CG-CG1 3.75Å; M127-I140 HydrophobicContact SD-CD1 4.37Å; M127-I140 HydrophobicContact SD-CG1 4.3Å; M127-F248 HydrophobicContact CB-CD1 3.57Å; M127-F248 HydrophobicContact CB-CE1 3.59Å; M127-F248 HydrophobicContact CB-CG 4.29Å; M127-F248 HydrophobicContact CB-CZ 4.3Å; M127-F248 HydrophobicContact CE-CD2 4.17Å; M127-F248 HydrophobicContact CE-CE2 4.3Å; M127-F248 HydrophobicContact CE-CG 4.36Å; M127-F248 HydrophobicContact CG-CD1 4.08Å; M127-F248 HydrophobicContact CG-CE1 3.67Å; M127-F248 HydrophobicContact CG-CE2 4.48Å; M127-F248 HydrophobicContact CG-CZ 3.9Å
128	H	98.4	Very high	98	Very high	52 Å²	52	67.6 Å²	67.6	24%	0.241	34%	0.343	C	S	.	.			trans	-101	177.7	171	-64.1	-90	0	0	0	110.2	H134 N280	H128-H134 AromaticContact CD2-CE1 3.58Å; H128-H134 AromaticContact CE1-CD2 3.67Å; H128-H134 AromaticContact CE1-CE1 3.38Å; H128-H134 PolarHBondContact CE1-CE1 2.91Å; H128-H134 AromaticContact CE1-CG 3.97Å; H128-H134 AromaticContact CE1-ND1 3.8Å; H128-H134 AromaticContact CE1-NE2 3.3Å; H128-H134 PolarHBondContact CE1-NE2 2.71Å; H128-H134 VanDerWaalsContact CE1-NE2 3.3Å; H128-H134 PolarHBondContact CE1-O 3.03Å; H128-H134 VanDerWaalsContact CE1-O 3.25Å; H128-H134 AromaticContact CG-CE1 3.5Å; H128-H134 AromaticContact CG-ND1 3.64Å; H128-H134 AromaticContact ND1-CD2 3.91Å; H128-H134 AromaticContact ND1-CE1 3.4Å; H128-H134 PolarHBondContact ND1-CE1 3.08Å; H128-H134 AromaticContact ND1-CG 3.73Å; H128-H134 AromaticContact ND1-ND1 3.41Å; H128-H134 PolarHBondContact ND1-ND1 3.47Å; H128-H134 AromaticContact ND1-NE2 3.73Å; H128-H134 PolarHBondContact ND1-O 3.39Å; H128-H134 AromaticContact NE2-CE1 3.52Å; H128-H134 AromaticContact NE2-NE2 3.58Å; H128-N280 PolarHBondContact O-ND2 3.24Å
129	Y	98.4	Very high	98	Very high	10 Å²	10	67.8 Å²	67.8	4%	0.039	35%	0.35	C	S	.	.			trans	-117.3	129.2	-176.1	-62	-90.4	0	0	0	111.8	Y131 S132 F138 A247 F248 F250 H251 A254	Y129-Y131 PolarHBondContact O-N 3.33Å; Y129-S132 PolarHBondContact O-N 3.46Å; Y129-F138 WeakPolarHBondContact OH-CB 3.47Å; Y129-A247 WeakPolarHBondContact CE1-O 3.15Å; Y129-F248 VanDerWaalsContact CA-O 3.23Å; Y129-F248 WeakPolarHBondContact CA-O 3.48Å; Y129-F250 VanDerWaalsContact CD1-O 3.25Å; Y129-F250 WeakPolarHBondContact CD1-O 3.32Å; Y129-F250 VanDerWaalsContact CE1-O 3.25Å; Y129-F250 WeakPolarHBondContact CE1-O 3.22Å; Y129-H251 HydrophobicContact CD1-CB 4.49Å; Y129-H251 HydrophobicContact CD2-CB 3.83Å; Y129-H251 HydrophobicContact CE2-CB 3.98Å; Y129-H251 HydrophobicContact CG-CB 4.09Å; Y129-A254 WeakPolarHBondContact OH-CB 3.23Å
130	D	97.8	Very high	98	Very high	40 Å²	40	61.4 Å²	61.4	21%	0.214	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-34.7	-173.9	-77	-1.9	0	0	0	113.4	F248 F249 N280 I281 M282	D130-F248 PolarHBondContact N-O 3.16Å; D130-F249 HydrophobicContact CB-CD1 4.43Å; D130-N280 WeakPolarHBondContact OD1-CA 3.25Å; D130-N280 WeakPolarHBondContact OD1-CB 3.46Å; D130-N280 PolarHBondContact OD1-ND2 2.63Å; D130-I281 PolarHBondContact OD2-N 2.93Å; D130-I281 VanDerWaalsContact OD2-N 3.11Å; D130-M282 HydrophobicContact CB-CB 4.15Å; D130-M282 HydrophobicContact CB-CG 4.29Å; D130-M282 VanDerWaalsContact OD2-CB 3.26Å; D130-M282 WeakPolarHBondContact OD2-CB 3.48Å; D130-M282 VanDerWaalsContact OD2-CG 3.29Å; D130-M282 WeakPolarHBondContact OD2-CG 3.4Å; D130-M282 PolarHBondContact OD2-N 2.95Å
131	Y	96.3	Very high	98.1	Very high	50 Å²	50	60.5 Å²	60.5	20%	0.196	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	27.8	-175.5	-55.9	-58	0	0	0	112.9	Y129 F249 F250 M282 R298	Y129-Y131 PolarHBondContact O-N 3.33Å; Y131-F249 WeakPolarHBondContact CB-O 3.35Å; Y131-F249 HydrophobicContact CD2-CB 4.06Å; Y131-F249 HydrophobicContact CD2-CG 4.5Å; Y131-F249 HydrophobicContact CE2-CB 4.4Å; Y131-F249 HydrophobicContact CE2-CD2 4.38Å; Y131-F249 HydrophobicContact CE2-CG 4.37Å; Y131-F249 PolarHBondContact N-O 3.38Å; Y131-F250 HydrophobicContact CD2-CD1 4.35Å; Y131-F250 AromaticContact CD2-CE1 3.48Å; Y131-F250 HydrophobicContact CD2-CE1 3.48Å; Y131-F250 VanDerWaalsContact CD2-CE1 3.48Å; Y131-F250 HydrophobicContact CD2-CE2 4.41Å; Y131-F250 AromaticContact CD2-CZ 3.48Å; Y131-F250 HydrophobicContact CD2-CZ 3.48Å; Y131-F250 VanDerWaalsContact CD2-CZ 3.48Å; Y131-F250 HydrophobicContact CE2-CE1 4.47Å; Y131-F250 HydrophobicContact CE2-CZ 4.1Å; Y131-F250 AromaticContact CG-CE1 3.89Å; Y131-F250 HydrophobicContact CG-CE1 3.89Å; Y131-F250 HydrophobicContact CG-CZ 4.34Å; Y131-M282 HydrophobicContact CE1-CB 4.36Å; Y131-M282 HydrophobicContact CE2-CB 4.43Å; Y131-M282 HydrophobicContact CE2-CG 3.81Å; Y131-M282 WeakPolarHBondContact OH-CB 3.36Å; Y131-M282 WeakPolarHBondContact OH-CE 3.37Å; Y131-M282 VanDerWaalsContact OH-CG 3.27Å; Y131-M282 WeakPolarHBondContact OH-CG 3.37Å; Y131-R298 HydrophobicContact CD1-CG 3.6Å; Y131-R298 HydrophobicContact CD2-CG 4.31Å; Y131-R298 HydrophobicContact CE1-CB 4.15Å; Y131-R298 HydrophobicContact CE1-CG 3.64Å; Y131-R298 HydrophobicContact CE2-CG 4.35Å; Y131-R298 HydrophobicContact CG-CG 3.91Å
132	S	96.9	Very high	98.1	Very high	29 Å²	29	64.8 Å²	64.8	20%	0.203	33%	0.332	C	S	.	.	S	Bend	trans	-136.3	164	175.6	-54.4	0	0	0	0	111.2	Y129 H251	Y129-S132 PolarHBondContact O-N 3.46Å; S132-H251 WeakPolarHBondContact CB-ND1 3.42Å; S132-H251 PolarHBondContact OG-N 2.69Å; S132-H251 VanDerWaalsContact OG-N 3.12Å; S132-H251 PolarHBondContact OG-ND1 3Å
133	S	97.1	Very high	98.1	Very high	70 Å²	70	58.9 Å²	58.9	49%	0.49	32%	0.315	S	S	.	.			trans	-56.2	141.4	175.4	177.2	0	0	0	0	111	K135 Y136	S133-K135 PolarHBondContact O-N 2.71Å; S133-Y136 WeakPolarHBondContact O-CD2 3.29Å; S133-Y136 PolarHBondContact O-N 3.01Å; S133-Y136 VanDerWaalsContact O-N 3.08Å
134	H	96.8	Very high	98.1	Very high	137 Å²	137	54.1 Å²	54.1	63%	0.634	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.2	-177.7	-161.2	71.9	0	0	0	113.8	H128 Y136	H128-H134 AromaticContact CD2-CE1 3.58Å; H128-H134 AromaticContact CE1-CD2 3.67Å; H128-H134 AromaticContact CE1-CE1 3.38Å; H128-H134 PolarHBondContact CE1-CE1 2.91Å; H128-H134 AromaticContact CE1-CG 3.97Å; H128-H134 AromaticContact CE1-ND1 3.8Å; H128-H134 AromaticContact CE1-NE2 3.3Å; H128-H134 PolarHBondContact CE1-NE2 2.71Å; H128-H134 VanDerWaalsContact CE1-NE2 3.3Å; H128-H134 PolarHBondContact CE1-O 3.03Å; H128-H134 VanDerWaalsContact CE1-O 3.25Å; H128-H134 AromaticContact CG-CE1 3.5Å; H128-H134 AromaticContact CG-ND1 3.64Å; H128-H134 AromaticContact ND1-CD2 3.91Å; H128-H134 AromaticContact ND1-CE1 3.4Å; H128-H134 PolarHBondContact ND1-CE1 3.08Å; H128-H134 AromaticContact ND1-CG 3.73Å; H128-H134 AromaticContact ND1-ND1 3.41Å; H128-H134 PolarHBondContact ND1-ND1 3.47Å; H128-H134 AromaticContact ND1-NE2 3.73Å; H128-H134 PolarHBondContact ND1-O 3.39Å; H128-H134 AromaticContact NE2-CE1 3.52Å; H128-H134 AromaticContact NE2-NE2 3.58Å; H134-Y136 PolarHBondContact O-N 2.9Å
135	K	97.6	Very high	98.1	Very high	149 Å²	149	55.5 Å²	55.5	65%	0.648	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.1	174.6	73.7	-177	-177.3	174.3	0	113.9	S133	S133-K135 PolarHBondContact O-N 2.71Å
136	Y	98.3	Very high	98.1	Very high	82 Å²	82	54.4 Å²	54.4	32%	0.322	28%	0.281	S	S	.	.			trans	-84.6	128.6	179.8	-61.5	-63.8	0	0	0	110.3	S133 H134 H251	S133-Y136 WeakPolarHBondContact O-CD2 3.29Å; S133-Y136 PolarHBondContact O-N 3.01Å; S133-Y136 VanDerWaalsContact O-N 3.08Å; H134-Y136 PolarHBondContact O-N 2.9Å; Y136-H251 HydrophobicContact CD1-CB 4.11Å; Y136-H251 AromaticContact CD1-CD2 3.83Å; Y136-H251 HydrophobicContact CD2-CB 3.73Å; Y136-H251 AromaticContact CD2-CD2 3.88Å; Y136-H251 AromaticContact CD2-CG 3.53Å; Y136-H251 AromaticContact CD2-ND1 3.87Å; Y136-H251 AromaticContact CE1-CD2 3.67Å; Y136-H251 HydrophobicContact CE2-CB 4.4Å; Y136-H251 AromaticContact CE2-CD2 3.68Å; Y136-H251 AromaticContact CE2-CE1 3.84Å; Y136-H251 AromaticContact CE2-CG 3.71Å; Y136-H251 AromaticContact CE2-ND1 3.81Å; Y136-H251 AromaticContact CE2-NE2 3.76Å; Y136-H251 HydrophobicContact CG-CB 3.54Å; Y136-H251 AromaticContact CG-CD2 3.93Å; Y136-H251 AromaticContact CG-CG 3.71Å; Y136-H251 AromaticContact CZ-CD2 3.57Å; Y136-H251 AromaticContact CZ-NE2 3.63Å
137	V	98.1	Very high	98.1	Very high	68 Å²	68	50.7 Å²	50.7	41%	0.412	26%	0.261	S	S	.	.			trans	-132.3	153	-177	-66	0	0	0	0	111.9	L126 M127	L126-V137 HydrophobicContact CB-CB 4.39Å; L126-V137 HydrophobicContact CB-CG1 4.44Å; M127-V137 CarbonylContact O-C 3.59Å; M127-V137 VanDerWaalsContact O-CA 3.26Å; M127-V137 WeakPolarHBondContact O-CA 3.32Å
138	F	98.6	Very high	98.1	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.8	169.9	-174.7	-84.9	0	0	0	109.7	M127 Y129 I140 F144 F248 T257 R258	M127-F138 HydrophobicContact CB-CB 4.43Å; M127-F138 PolarHBondContact N-O 3.05Å; M127-F138 PolarHBondContact O-N 2.85Å; Y129-F138 WeakPolarHBondContact OH-CB 3.47Å; F138-I140 HydrophobicContact CD1-CD1 4.27Å; F138-I140 HydrophobicContact CE1-CD1 4.41Å; F138-F144 HydrophobicContact CE1-CD2 4.2Å; F138-F144 HydrophobicContact CZ-CD2 4.47Å; F138-F248 HydrophobicContact CB-CE1 4.15Å; F138-F248 AromaticContact CD1-CE1 3.76Å; F138-F248 HydrophobicContact CD1-CE1 3.76Å; F138-F248 HydrophobicContact CD1-CZ 4.36Å; F138-F248 HydrophobicContact CE1-CE1 4.42Å; F138-F248 HydrophobicContact CG-CE1 4.08Å; F138-T257 HydrophobicContact CE2-CG2 4.03Å; F138-T257 HydrophobicContact CZ-CG2 3.95Å; F138-R258 HydrophobicContact CE2-CG 4.08Å; F138-R258 HydrophobicContact CZ-CG 4.48Å
139	S	98.6	Very high	98.2	Very high	46 Å²	46	49 Å²	49	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.8	176.1	-174.3	0	0	0	0	110.8	Q125 S141	Q125-S139 CarbonylContact O-C 3.42Å; Q125-S139 WeakPolarHBondContact O-CA 3.2Å; S139-S141 PolarHBondContact O-N 3.49Å
140	I	98.8	Very high	98.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.28	C	S	.	.			trans	-66.6	114.2	176.9	-62.7	-60.1	0	0	0	109.9	V121 G124 Q125 M127 F138 F144 R145 F248	V121-I140 HydrophobicContact CB-CG2 4.47Å; V121-I140 HydrophobicContact CG2-CG2 4.12Å; G124-I140 PolarHBondContact N-O 2.93Å; Q125-I140 HydrophobicContact CB-CB 4.42Å; Q125-I140 HydrophobicContact CB-CG1 4.21Å; Q125-I140 PolarHBondContact O-N 3.38Å; M127-I140 HydrophobicContact CG-CD1 3.53Å; M127-I140 HydrophobicContact CG-CG1 3.75Å; M127-I140 HydrophobicContact SD-CD1 4.37Å; M127-I140 HydrophobicContact SD-CG1 4.3Å; F138-I140 HydrophobicContact CD1-CD1 4.27Å; F138-I140 HydrophobicContact CE1-CD1 4.41Å; I140-F144 HydrophobicContact CD1-CD1 3.67Å; I140-F144 HydrophobicContact CD1-CE1 3.73Å; I140-F144 HydrophobicContact CD1-CG 4.33Å; I140-F144 HydrophobicContact CD1-CZ 4.46Å; I140-F144 HydrophobicContact CG2-CD1 4.12Å; I140-R145 HydrophobicContact CG2-CB 4.26Å; I140-F248 HydrophobicContact CD1-CE1 4.36Å; I140-F248 HydrophobicContact CD1-CZ 3.78Å
141	S	98.8	Very high	98.2	Very high	40 Å²	40	55.6 Å²	55.6	28%	0.28	30%	0.295	S	S	.	.			trans	-84	165.2	175.3	69.5	0	0	0	0	112	S139 N143 F144 R145	S139-S141 PolarHBondContact O-N 3.49Å; S141-N143 VanDerWaalsContact C-N 3.28Å; S141-N143 PolarHBondContact O-N 3.07Å; S141-F144 PolarHBondContact O-N 2.98Å; S141-F144 PolarHBondContact OG-N 3.22Å; S141-R145 PolarHBondContact O-N 3.13Å
142	N	98.6	Very high	98.3	Very high	96 Å²	96	53.6 Å²	53.6	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-45.1	169	-174.6	33.6	0	0	0	111.2	I123 F144 R145 S146	I123-N142 HydrophobicContact CD1-CB 4.05Å; N142-F144 PolarHBondContact O-N 3.15Å; N142-R145 PolarHBondContact O-N 3.26Å; N142-S146 WeakPolarHBondContact O-CB 3.15Å; N142-S146 PolarHBondContact O-N 2.88Å; N142-S146 PolarHBondContact O-OG 3.4Å
143	N	98.6	Very high	98.4	Very high	61 Å²	61	53.2 Å²	53.2	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-57.5	-49.5	177.6	-76.4	4.6	0	0	0	111.6	S141 R145 S146 L147 V261 V265	S141-N143 VanDerWaalsContact C-N 3.28Å; S141-N143 PolarHBondContact O-N 3.07Å; N143-R145 PolarHBondContact O-N 2.67Å; N143-S146 PolarHBondContact O-N 2.04Å; N143-S146 PolarHBondContact O-OG 3.37Å; N143-L147 PolarHBondContact O-N 3.47Å; N143-V261 HydrophobicContact CB-CG1 3.68Å; N143-V265 HydrophobicContact CB-CG2 3.9Å
144	F	98.8	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-51.3	176.9	-176.3	-82.2	0	0	0	111.3	F138 I140 S141 N142 S146 L147 L148 F248 T257 V261 W277	F138-F144 HydrophobicContact CE1-CD2 4.2Å; F138-F144 HydrophobicContact CZ-CD2 4.47Å; I140-F144 HydrophobicContact CD1-CD1 3.67Å; I140-F144 HydrophobicContact CD1-CE1 3.73Å; I140-F144 HydrophobicContact CD1-CG 4.33Å; I140-F144 HydrophobicContact CD1-CZ 4.46Å; I140-F144 HydrophobicContact CG2-CD1 4.12Å; S141-F144 PolarHBondContact O-N 2.98Å; S141-F144 PolarHBondContact OG-N 3.22Å; N142-F144 PolarHBondContact O-N 3.15Å; F144-S146 PolarHBondContact O-N 3.37Å; F144-L147 PolarHBondContact O-N 3.01Å; F144-L148 HydrophobicContact CD1-CD1 4.41Å; F144-L148 HydrophobicContact CD1-CD2 4.4Å; F144-L148 HydrophobicContact CD1-CG 4.38Å; F144-L148 HydrophobicContact CE1-CD1 4.14Å; F144-L148 HydrophobicContact CE1-CD2 3.72Å; F144-L148 HydrophobicContact CE1-CG 4.13Å; F144-L148 HydrophobicContact CZ-CD2 4.21Å; F144-F248 HydrophobicContact CE1-CE2 4.21Å; F144-F248 AromaticContact CE1-CZ 3.98Å; F144-F248 HydrophobicContact CE1-CZ 3.98Å; F144-F248 HydrophobicContact CE2-CE2 4.37Å; F144-F248 AromaticContact CE2-CZ 3.92Å; F144-F248 HydrophobicContact CE2-CZ 3.92Å; F144-F248 AromaticContact CZ-CE2 3.6Å; F144-F248 HydrophobicContact CZ-CE2 3.6Å; F144-F248 AromaticContact CZ-CZ 3.45Å; F144-F248 HydrophobicContact CZ-CZ 3.45Å; F144-F248 VanDerWaalsContact CZ-CZ 3.45Å; F144-T257 HydrophobicContact CE2-CG2 4.36Å; F144-V261 HydrophobicContact CB-CG1 4.5Å; F144-V261 HydrophobicContact CB-CG2 4.36Å; F144-V261 HydrophobicContact CD2-CG2 3.68Å; F144-V261 HydrophobicContact CE2-CG2 4.49Å; F144-V261 HydrophobicContact CG-CG2 4.47Å; F144-W277 HydrophobicContact CE2-CD2 4.14Å; F144-W277 AromaticContact CE2-CE3 3.7Å; F144-W277 HydrophobicContact CE2-CE3 3.7Å; F144-W277 AromaticContact CE2-CZ3 3.96Å; F144-W277 HydrophobicContact CE2-CZ3 3.96Å; F144-W277 HydrophobicContact CZ-CB 4.22Å; F144-W277 HydrophobicContact CZ-CD2 4.12Å; F144-W277 AromaticContact CZ-CE3 3.97Å; F144-W277 HydrophobicContact CZ-CE3 3.97Å; F144-W277 HydrophobicContact CZ-CG 4.26Å
145	R	98.8	Very high	98.5	Very high	70 Å²	70	47.5 Å²	47.5	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-57.8	-37.3	180	-177	177.9	179.9	-89.1	-5.3	111.9	K118 N119 V121 I140 S141 N142 N143 L147 L148	K118-R145 PolarHBondContact O-NE 3.42Å; K118-R145 PolarHBondContact O-NH2 3.44Å; N119-R145 PolarHBondContact OD1-NH2 3.44Å; V121-R145 HydrophobicContact CG2-CG 4.13Å; I140-R145 HydrophobicContact CG2-CB 4.26Å; S141-R145 PolarHBondContact O-N 3.13Å; N142-R145 PolarHBondContact O-N 3.26Å; N143-R145 PolarHBondContact O-N 2.67Å; R145-L147 PolarHBondContact O-N 2.84Å; R145-L148 WeakPolarHBondContact O-CB 3.42Å; R145-L148 PolarHBondContact O-N 2.94Å; R145-L148 VanDerWaalsContact O-N 3.17Å
146	S	98.6	Very high	98.5	Very high	31 Å²	31	47 Å²	47	22%	0.217	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-16.8	-179.2	75.4	0	0	0	0	114.3	N142 N143 F144 R268	N142-S146 WeakPolarHBondContact O-CB 3.15Å; N142-S146 PolarHBondContact O-N 2.88Å; N142-S146 PolarHBondContact O-OG 3.4Å; N143-S146 PolarHBondContact O-N 2.04Å; N143-S146 PolarHBondContact O-OG 3.37Å; F144-S146 PolarHBondContact O-N 3.37Å; S146-R268 VanDerWaalsContact CB-NH2 3.25Å; S146-R268 PolarHBondContact O-NH2 3.42Å; S146-R268 PolarHBondContact OG-NH2 2.72Å
147	L	98.8	Very high	98.5	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.099	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.6	174.3	-62.2	177.4	0	0	0	113.5	N143 F144 R145 V261 F264 V265 L275 W277	N143-L147 PolarHBondContact O-N 3.47Å; F144-L147 PolarHBondContact O-N 3.01Å; R145-L147 PolarHBondContact O-N 2.84Å; L147-V261 HydrophobicContact CD1-CB 4.22Å; L147-V261 HydrophobicContact CD1-CG1 3.96Å; L147-V261 HydrophobicContact CD1-CG2 4.25Å; L147-F264 HydrophobicContact CD1-CB 3.65Å; L147-F264 HydrophobicContact CD1-CD2 4.47Å; L147-F264 HydrophobicContact CD2-CB 3.82Å; L147-F264 HydrophobicContact CG-CB 4.39Å; L147-V265 HydrophobicContact CD1-CG2 4.22Å; L147-V265 HydrophobicContact CD2-CG2 4.1Å; L147-V265 HydrophobicContact CG-CG2 4.15Å; L147-L275 HydrophobicContact CB-CD1 4.21Å; L147-L275 HydrophobicContact CD2-CD1 4.24Å; L147-W277 HydrophobicContact CD1-CZ2 4.38Å
148	L	98.9	Very high	98.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	-74.3	145.7	176.8	-62.2	-179.5	0	0	0	110.7	L116 K118 V121 F144 R145 W277	L116-L148 HydrophobicContact CB-CD1 4.05Å; L116-L148 HydrophobicContact CB-CD2 4.07Å; K118-L148 WeakPolarHBondContact CE-O 3.47Å; K118-L148 HydrophobicContact CG-CB 4.06Å; K118-L148 WeakPolarHBondContact CG-O 3.49Å; K118-L148 PolarHBondContact NZ-O 3.03Å; V121-L148 HydrophobicContact CG2-CD1 3.45Å; V121-L148 VanDerWaalsContact CG2-CD1 3.45Å; F144-L148 HydrophobicContact CD1-CD1 4.41Å; F144-L148 HydrophobicContact CD1-CD2 4.4Å; F144-L148 HydrophobicContact CD1-CG 4.38Å; F144-L148 HydrophobicContact CE1-CD1 4.14Å; F144-L148 HydrophobicContact CE1-CD2 3.72Å; F144-L148 HydrophobicContact CE1-CG 4.13Å; F144-L148 HydrophobicContact CZ-CD2 4.21Å; R145-L148 WeakPolarHBondContact O-CB 3.42Å; R145-L148 PolarHBondContact O-N 2.94Å; R145-L148 VanDerWaalsContact O-N 3.17Å; L148-W277 HydrophobicContact CD2-CB 3.61Å; L148-W277 HydrophobicContact CD2-CG 3.72Å
149	P	98.6	Very high	98.5	Very high	24 Å²	24	53.5 Å²	53.5	16%	0.156	28%	0.281	C	S	.	.			trans	-69.1	157.4	173.2	33.6	-38.7	0	0	0	111	L116 T117 K118 V151 P153	L116-P149 WeakPolarHBondContact O-CD 3.42Å; T117-P149 CarbonylContact C-O 3.49Å; T117-P149 WeakPolarHBondContact CA-O 3.11Å; T117-P149 WeakPolarHBondContact CB-O 3.31Å; K118-P149 PolarHBondContact N-O 3.1Å; P149-V151 VanDerWaalsContact CB-O 3.31Å; P149-V151 WeakPolarHBondContact CB-O 3.3Å; P149-P153 HydrophobicContact CB-CG 4.17Å; P149-P153 HydrophobicContact CG-CG 4.05Å
150	D	98.6	Very high	98.5	Very high	102 Å²	102	55.2 Å²	55.2	55%	0.545	29%	0.286	S	S	.	.	S	Bend	trans	-75.5	-38.5	176.8	-63	-55.7	0	0	0	111.6	K118	K118-D150 VanDerWaalsContact CD-OD1 3.23Å; K118-D150 WeakPolarHBondContact CD-OD1 3.2Å; K118-D150 WeakPolarHBondContact CE-OD1 3.18Å; K118-D150 IonicContact NZ-OD1 2.89Å; K118-D150 PolarHBondContact NZ-OD1 2.85Å; K118-D150 IonicContact NZ-OD2 2.67Å; K118-D150 PolarHBondContact NZ-OD2 2.85Å
151	V	98.4	Very high	98.5	Very high	88 Å²	88	57.6 Å²	57.6	53%	0.533	30%	0.299	S	S	.	.	S	Bend	trans	-127.6	163.3	174.7	-61.4	0	0	0	0	109.8	P149 P153 M155	P149-V151 VanDerWaalsContact CB-O 3.31Å; P149-V151 WeakPolarHBondContact CB-O 3.3Å; V151-P153 WeakPolarHBondContact O-CD 3.32Å; V151-M155 HydrophobicContact CB-CE 4.31Å; V151-M155 HydrophobicContact CB-SD 4.4Å
152	S	98.6	Very high	98.5	Very high	8 Å²	8	55.7 Å²	55.7	6%	0.056	29%	0.286	C	S	.	.			trans	-57.8	127.9	175.9	-178.2	0	0	0	0	110.9	I111 I154 M155	I111-S152 WeakPolarHBondContact O-CB 3.45Å; I111-S152 PolarHBondContact O-OG 2.9Å; S152-I154 PolarHBondContact O-N 3.16Å; S152-I154 WeakPolarHBondContact OG-CG1 3.33Å; S152-M155 VanDerWaalsContact O-CB 3.26Å; S152-M155 WeakPolarHBondContact O-CB 3.43Å; S152-M155 PolarHBondContact O-N 3.37Å
153	P	98.4	Very high	98.5	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.136	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.2	179.6	-27.6	35.3	0	0	0	114.7	F114 P149 V151 I242 A276	F114-P153 HydrophobicContact CD1-CB 4.49Å; F114-P153 HydrophobicContact CD1-CG 4.33Å; F114-P153 HydrophobicContact CE1-CB 3.98Å; F114-P153 HydrophobicContact CE1-CG 4.05Å; P149-P153 HydrophobicContact CB-CG 4.17Å; P149-P153 HydrophobicContact CG-CG 4.05Å; V151-P153 WeakPolarHBondContact O-CD 3.32Å; P153-I242 HydrophobicContact CB-CD1 4.06Å; P153-A276 HydrophobicContact CG-CB 4.35Å
154	I	98.4	Very high	98.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.4	-179.9	63	161.5	0	0	0	113.4	V110 I111 F114 S152 N156 K157 I242 I312	V110-I154 HydrophobicContact CG1-CD1 4.16Å; I111-I154 HydrophobicContact CD1-CD1 3.73Å; I111-I154 HydrophobicContact CD1-CG1 3.91Å; F114-I154 HydrophobicContact CB-CD1 3.68Å; F114-I154 HydrophobicContact CB-CG1 3.88Å; F114-I154 HydrophobicContact CD1-CD1 4.44Å; F114-I154 HydrophobicContact CD1-CG1 4.04Å; F114-I154 HydrophobicContact CD1-CG2 4.14Å; F114-I154 HydrophobicContact CD2-CD1 3.47Å; F114-I154 VanDerWaalsContact CD2-CD1 3.47Å; F114-I154 HydrophobicContact CD2-CG1 3.94Å; F114-I154 HydrophobicContact CD2-CG2 3.99Å; F114-I154 HydrophobicContact CE1-CG2 3.81Å; F114-I154 HydrophobicContact CE2-CD1 4.18Å; F114-I154 HydrophobicContact CE2-CG1 4.47Å; F114-I154 HydrophobicContact CE2-CG2 3.65Å; F114-I154 HydrophobicContact CG-CD1 3.61Å; F114-I154 HydrophobicContact CG-CG1 3.68Å; F114-I154 HydrophobicContact CG-CG2 4.21Å; F114-I154 HydrophobicContact CZ-CG2 3.53Å; S152-I154 PolarHBondContact O-N 3.16Å; S152-I154 WeakPolarHBondContact OG-CG1 3.33Å; I154-N156 PolarHBondContact O-N 3.44Å; I154-K157 PolarHBondContact O-N 3.25Å; I154-I242 HydrophobicContact CG2-CD1 4.29Å; I154-I312 HydrophobicContact CB-CD1 4.43Å; I154-I312 HydrophobicContact CB-CG2 4.19Å; I154-I312 HydrophobicContact CD1-CG2 4.18Å; I154-I312 HydrophobicContact CG2-CD1 4.07Å
155	M	98.1	Very high	98.6	Very high	84 Å²	84	48.3 Å²	48.3	41%	0.414	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	128.4	176.2	-174.5	177.8	-71.4	0	0	110.5	I111 V151 S152 K157	I111-M155 HydrophobicContact CG2-CB 4.22Å; I111-M155 HydrophobicContact CG2-CE 4.5Å; V151-M155 HydrophobicContact CB-CE 4.31Å; V151-M155 HydrophobicContact CB-SD 4.4Å; S152-M155 VanDerWaalsContact O-CB 3.26Å; S152-M155 WeakPolarHBondContact O-CB 3.43Å; S152-M155 PolarHBondContact O-N 3.37Å; M155-K157 PolarHBondContact O-N 3.21Å
156	N	97.3	Very high	98.5	Very high	138 Å²	138	45.2 Å²	45.2	74%	0.738	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	29.3	-178.3	-53.8	-31.5	0	0	0	113.7	I154	I154-N156 PolarHBondContact O-N 3.44Å
157	K	98.2	Very high	98.5	Very high	98 Å²	98	44.5 Å²	44.5	43%	0.426	23%	0.23	S	C	.	.			trans	-99.6	130.9	173.2	-59.6	-56.2	-178.1	-176.4	0	109.8	I154 M155 Y159 I312	I154-K157 PolarHBondContact O-N 3.25Å; M155-K157 PolarHBondContact O-N 3.21Å; K157-Y159 HydrophobicContact CB-CE2 3.85Å; K157-I312 WeakPolarHBondContact O-CB 3.37Å; K157-I312 WeakPolarHBondContact O-CG2 3.25Å
158	H	98.1	Very high	98.5	Very high	132 Å²	132	44 Å²	44	61%	0.611	23%	0.228	S	C	*	.			trans	-136.5	130.7	177.7	-60	-77.1	0	0	0	108.5	I312	H158-I312 CarbonylContact C-O 3.29Å; H158-I312 WeakPolarHBondContact CA-O 3.42Å
159	Y	98.7	Very high	98.4	Very high	61 Å²	61	43.9 Å²	43.9	24%	0.239	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.8	-179.7	-57.2	-73.3	0	0	0	108.1	K157 F185 I312 C313 E314	K157-Y159 HydrophobicContact CB-CE2 3.85Å; Y159-F185 HydrophobicContact CD1-CB 4.07Å; Y159-F185 HydrophobicContact CD1-CD2 4.04Å; Y159-F185 HydrophobicContact CD2-CB 4.04Å; Y159-F185 AromaticContact CD2-CD2 3.75Å; Y159-F185 HydrophobicContact CD2-CD2 3.75Å; Y159-F185 HydrophobicContact CD2-CE2 4.44Å; Y159-F185 HydrophobicContact CD2-CG 4.05Å; Y159-F185 AromaticContact CE1-CD2 3.7Å; Y159-F185 HydrophobicContact CE1-CD2 3.7Å; Y159-F185 HydrophobicContact CE1-CE2 4.44Å; Y159-F185 AromaticContact CE2-CD2 3.38Å; Y159-F185 HydrophobicContact CE2-CD2 3.38Å; Y159-F185 AromaticContact CE2-CE2 3.71Å; Y159-F185 HydrophobicContact CE2-CE2 3.71Å; Y159-F185 HydrophobicContact CE2-CG 4.12Å; Y159-F185 HydrophobicContact CG-CB 3.78Å; Y159-F185 HydrophobicContact CG-CD2 4.06Å; Y159-F185 HydrophobicContact CG-CG 4.25Å; Y159-F185 AromaticContact CZ-CD2 3.35Å; Y159-F185 AromaticContact CZ-CE2 3.7Å; Y159-I312 HydrophobicContact CD2-CB 4.36Å; Y159-I312 HydrophobicContact CD2-CD1 4.07Å; Y159-I312 HydrophobicContact CD2-CG1 4.38Å; Y159-I312 HydrophobicContact CE2-CD1 4Å; Y159-I312 PolarHBondContact N-O 2.89Å; Y159-C313 CarbonylContact O-C 3.56Å; Y159-C313 VanDerWaalsContact O-CA 3.32Å; Y159-C313 WeakPolarHBondContact O-CA 3.2Å; Y159-E314 PolarHBondContact O-N 3.37Å
160	N	98.6	Very high	98.3	Very high	81 Å²	81	43.4 Å²	43.4	43%	0.433	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-70.9	-177.8	178.6	37.5	0	0	0	110	D184 E314 E315	N160-D184 VanDerWaalsContact CB-OD2 3.26Å; N160-D184 WeakPolarHBondContact CB-OD2 3.35Å; N160-D184 PolarHBondContact N-OD2 3Å; N160-E314 CarbonylContact O-C 3.46Å; N160-E314 WeakPolarHBondContact O-CB 3.5Å; N160-E314 PolarHBondContact O-N 3.5Å; N160-E314 VanDerWaalsContact O-N 3.16Å; N160-E315 PolarHBondContact O-N 3.24Å
161	I	98.8	Very high	98.3	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.3	179.1	-57.8	177.9	0	0	0	110.1	D184 F185	I161-D184 PolarHBondContact N-OD2 3.01Å; I161-D184 WeakPolarHBondContact O-CB 3.11Å; I161-D184 PolarHBondContact O-N 3.36Å; I161-F185 PolarHBondContact O-N 3.49Å
162	C	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.8	173.5	-67.9	0	0	0	0	112	F185 F187 C313 E315 I316 H317	C162-F185 CarbonylContact C-O 3.53Å; C162-F185 VanDerWaalsContact CA-O 3.26Å; C162-F185 WeakPolarHBondContact CA-O 3.44Å; C162-F187 HydrophobicContact CB-CE2 4.09Å; C162-C313 HydrophobicContact CB-CB 3.56Å; C162-C313 WeakPolarHBondContact CB-SG 3.13Å; C162-C313 WeakPolarHBondContact SG-CB 3.36Å; C162-C313 CovalentContact SG-SG 2.01Å; C162-C313 PolarHBondContact SG-SG 3.03Å; C162-E315 PolarHBondContact N-O 3.27Å; C162-I316 WeakPolarHBondContact O-CA 3.48Å; C162-H317 PolarHBondContact O-N 3.02Å
163	A	98.9	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.2	166.2	0	0	0	0	0	110	V165 I180 S183 F185 V186 F187 H317 Y319	A163-V165 HydrophobicContact CB-CG2 4.44Å; A163-I180 HydrophobicContact CB-CG2 4.21Å; A163-S183 WeakPolarHBondContact CB-OG 3.26Å; A163-F185 PolarHBondContact N-O 3.44Å; A163-V186 HydrophobicContact CB-CG2 4.35Å; A163-V186 WeakPolarHBondContact O-CA 3.48Å; A163-F187 PolarHBondContact O-N 3.08Å; A163-H317 CarbonylContact C-O 3.35Å; A163-H317 WeakPolarHBondContact CA-O 3.43Å; A163-Y319 HydrophobicContact CB-CD2 4.11Å; A163-Y319 HydrophobicContact CB-CE2 3.99Å
164	V	98.9	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.6	166.5	-176.2	0	0	0	0	107.8	F187 M305 A309 I316 H317 L318 Y319 F321	V164-F187 HydrophobicContact CB-CB 4.43Å; V164-F187 HydrophobicContact CG1-CB 4.26Å; V164-F187 HydrophobicContact CG2-CB 4.19Å; V164-F187 HydrophobicContact CG2-CD2 3.91Å; V164-F187 HydrophobicContact CG2-CG 4.23Å; V164-M305 HydrophobicContact CG1-CB 3.66Å; V164-A309 HydrophobicContact CG2-CB 4.03Å; V164-I316 HydrophobicContact CG2-CG2 3.9Å; V164-H317 PolarHBondContact N-O 3.38Å; V164-L318 HydrophobicContact CB-CD2 3.69Å; V164-L318 HydrophobicContact CG1-CD2 4.32Å; V164-L318 HydrophobicContact CG2-CD2 4.27Å; V164-Y319 PolarHBondContact O-N 3.34Å; V164-F321 HydrophobicContact CB-CE2 4.45Å; V164-F321 HydrophobicContact CG1-CE2 4.01Å; V164-F321 HydrophobicContact CG1-CZ 3.85Å; V164-F321 WeakPolarHBondContact O-CE2 3.15Å
165	V	98.9	Very high	98.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.2	-174.4	-170.1	0	0	0	0	108.9	A163 L171 I180 V186 F187 R188 Y319	A163-V165 HydrophobicContact CB-CG2 4.44Å; V165-L171 HydrophobicContact CG1-CD1 3.9Å; V165-I180 HydrophobicContact CG2-CD1 4.29Å; V165-I180 HydrophobicContact CG2-CG2 3.92Å; V165-V186 HydrophobicContact CG2-CG1 3.97Å; V165-F187 PolarHBondContact N-O 3.09Å; V165-R188 HydrophobicContact CB-CG 4.48Å; V165-Y319 CarbonylContact C-O 3.59Å; V165-Y319 WeakPolarHBondContact CA-O 3.41Å
166	G	98.6	Very high	98.2	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	21%	0.212	C	C	.	.			trans	-73.3	177.3	163.9	0	0	0	0	0	111.3	Y319 G320	G166-Y319 PolarHBondContact N-O 3.31Å; G166-G320 CarbonylContact C-O 3.57Å
167	N	98.4	Very high	98.2	Very high	16 Å²	16	34.1 Å²	34.1	9%	0.086	18%	0.177	C	C	.	.			trans	-106.3	7.4	-168.8	-65.5	-8.7	0	0	0	114.1	C189 A192 G320 H337 Y338 Y339	N167-C189 PolarHBondContact ND2-O 3.04Å; N167-C189 PolarHBondContact OD1-O 3.46Å; N167-A192 WeakPolarHBondContact OD1-CB 3.45Å; N167-G320 PolarHBondContact N-O 3.39Å; N167-H337 CarbonylContact O-C 3.43Å; N167-H337 WeakPolarHBondContact O-CA 3.33Å; N167-Y338 HydrophobicContact CB-CD1 4.49Å; N167-Y338 HydrophobicContact CB-CE1 4.31Å; N167-Y338 WeakPolarHBondContact O-CD1 3.35Å; N167-Y338 PolarHBondContact O-N 2.77Å; N167-Y339 HydrophobicContact CB-CE1 3.96Å; N167-Y339 PolarHBondContact ND2-OH 3.03Å
168	S	97.9	Very high	98.3	Very high	8 Å²	8	36 Å²	36	6%	0.056	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-57.9	145.8	-173.7	176.3	0	0	0	0	113.6	I170 L171 G320 W322 Y336	S168-I170 PolarHBondContact O-N 3.23Å; S168-I170 VanDerWaalsContact O-N 3.11Å; S168-I170 PolarHBondContact OG-N 2.53Å; S168-L171 PolarHBondContact O-N 2.91Å; S168-G320 WeakPolarHBondContact CB-O 3.47Å; S168-G320 PolarHBondContact N-O 2.91Å; S168-G320 VanDerWaalsContact N-O 3.09Å; S168-W322 VanDerWaalsContact CB-O 3.25Å; S168-W322 WeakPolarHBondContact CB-O 3.44Å; S168-W322 WeakPolarHBondContact OG-CB 3.39Å; S168-W322 PolarHBondContact OG-O 3.49Å; S168-Y336 WeakPolarHBondContact CA-O 3.22Å
169	G	97.1	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57	-18.2	172.6	0	0	0	0	0	115.2	L171 T172 P335 Y336	G169-L171 PolarHBondContact O-N 2.66Å; G169-T172 VanDerWaalsContact O-CB 3.31Å; G169-T172 WeakPolarHBondContact O-CB 3.5Å; G169-T172 PolarHBondContact O-N 3.31Å; G169-T172 PolarHBondContact O-OG1 2.83Å; G169-P335 WeakPolarHBondContact CA-O 3.31Å; G169-P335 PolarHBondContact N-O 3.11Å; G169-Y336 PolarHBondContact N-O 3.02Å
170	I	97.2	Very high	98.3	Very high	13 Å²	13	29 Å²	29	7%	0.067	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-56.4	-21.3	175.6	-161.8	169.3	0	0	0	113.2	S168 T172 W322 P328 L334 L376	S168-I170 PolarHBondContact O-N 3.23Å; S168-I170 VanDerWaalsContact O-N 3.11Å; S168-I170 PolarHBondContact OG-N 2.53Å; I170-T172 VanDerWaalsContact C-N 3.32Å; I170-W322 HydrophobicContact CB-CB 3.92Å; I170-W322 HydrophobicContact CB-CG 4.19Å; I170-W322 HydrophobicContact CD1-CB 3.75Å; I170-W322 HydrophobicContact CD1-CD2 4.08Å; I170-W322 HydrophobicContact CD1-CG 3.74Å; I170-W322 HydrophobicContact CG1-CB 4.43Å; I170-W322 HydrophobicContact CG1-CG 4.47Å; I170-W322 HydrophobicContact CG2-CB 3.78Å; I170-P328 HydrophobicContact CD1-CG 3.82Å; I170-L334 HydrophobicContact CB-CD1 4.11Å; I170-L334 HydrophobicContact CG1-CD1 4.37Å; I170-L376 HydrophobicContact CD1-CB 4.19Å; I170-L376 HydrophobicContact CD1-CD2 4.01Å
171	L	98.4	Very high	98.3	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-73.8	-23.3	177	-68.2	173.1	0	0	0	112.9	V165 S168 G169 G173 S174 D200 V201 Y338	V165-L171 HydrophobicContact CG1-CD1 3.9Å; S168-L171 PolarHBondContact O-N 2.91Å; G169-L171 PolarHBondContact O-N 2.66Å; L171-G173 PolarHBondContact O-N 2.72Å; L171-S174 WeakPolarHBondContact O-CB 3.02Å; L171-S174 PolarHBondContact O-N 3.3Å; L171-S174 PolarHBondContact O-OG 2.75Å; L171-D200 WeakPolarHBondContact O-CB 3.43Å; L171-D200 VanDerWaalsContact O-CG 3.29Å; L171-V201 HydrophobicContact CB-CG1 3.99Å; L171-V201 HydrophobicContact CD1-CG1 3.83Å; L171-V201 HydrophobicContact CG-CG1 4.46Å; L171-Y338 HydrophobicContact CD1-CD1 4.01Å; L171-Y338 HydrophobicContact CD1-CE1 4.42Å
172	T	97.3	Very high	98.3	Very high	73 Å²	73	31.3 Å²	31.3	45%	0.448	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	119.2	-178.2	-51.1	0	0	0	0	110.6	G169 I170 S174	G169-T172 VanDerWaalsContact O-CB 3.31Å; G169-T172 WeakPolarHBondContact O-CB 3.5Å; G169-T172 PolarHBondContact O-N 3.31Å; G169-T172 PolarHBondContact O-OG1 2.83Å; I170-T172 VanDerWaalsContact C-N 3.32Å; T172-S174 PolarHBondContact O-N 2.86Å
173	G	96.4	Very high	98.3	Very high	33 Å²	33	31.4 Å²	31.4	34%	0.34	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.4	-178.1	0	0	0	0	0	115.3	L171 Q175 D200	L171-G173 PolarHBondContact O-N 2.72Å; G173-Q175 VanDerWaalsContact C-N 3.25Å; G173-Q175 PolarHBondContact O-N 3.3Å; G173-D200 WeakPolarHBondContact CA-OD1 3.29Å; G173-D200 PolarHBondContact N-OD1 3.15Å; G173-D200 PolarHBondContact N-OD2 3.17Å
174	S	97.8	Very high	98.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	18%	0.184	C	C	.	.			trans	-68.4	-21.6	-178.7	67.5	0	0	0	0	114	L171 T172 C176 D200 H378 C379	L171-S174 WeakPolarHBondContact O-CB 3.02Å; L171-S174 PolarHBondContact O-N 3.3Å; L171-S174 PolarHBondContact O-OG 2.75Å; T172-S174 PolarHBondContact O-N 2.86Å; S174-C176 PolarHBondContact O-N 3.02Å; S174-C176 VanDerWaalsContact O-N 3.08Å; S174-C176 PolarHBondContact OG-N 2.81Å; S174-D200 PolarHBondContact N-OD1 3.17Å; S174-H378 CarbonylContact O-C 3.58Å; S174-H378 VanDerWaalsContact O-CA 3.28Å; S174-H378 WeakPolarHBondContact O-CA 3.1Å; S174-C379 PolarHBondContact O-N 3.47Å
175	Q	98.3	Very high	98.3	Very high	133 Å²	133	35.3 Å²	35.3	62%	0.621	19%	0.185	S	C	*	.			trans	57.3	19.2	-174.8	-57.6	-179.9	61	0	0	114.1	G173 G177 R199 D200	G173-Q175 VanDerWaalsContact C-N 3.25Å; G173-Q175 PolarHBondContact O-N 3.3Å; Q175-G177 PolarHBondContact O-N 3.32Å; Q175-G177 VanDerWaalsContact O-N 3.15Å; Q175-R199 CarbonylContact C-O 3.55Å; Q175-R199 VanDerWaalsContact CA-O 3.27Å; Q175-R199 WeakPolarHBondContact CA-O 3.43Å; Q175-D200 PolarHBondContact N-OD1 3.4Å
176	C	98.8	Very high	98.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-2.5	-178.2	-71.8	0	0	0	0	114.7	S174 Q178 E179 I180 D200 Y319 C379	S174-C176 PolarHBondContact O-N 3.02Å; S174-C176 VanDerWaalsContact O-N 3.08Å; S174-C176 PolarHBondContact OG-N 2.81Å; C176-Q178 VanDerWaalsContact C-N 3.32Å; C176-Q178 PolarHBondContact O-N 3.24Å; C176-E179 PolarHBondContact O-N 3.49Å; C176-E179 VanDerWaalsContact O-N 3.13Å; C176-I180 HydrophobicContact CB-CD1 4.03Å; C176-I180 HydrophobicContact CB-CG1 4.44Å; C176-I180 WeakPolarHBondContact O-CB 3.47Å; C176-I180 VanDerWaalsContact O-CG1 3.31Å; C176-I180 WeakPolarHBondContact O-CG1 3.28Å; C176-I180 PolarHBondContact O-N 3.39Å; C176-D200 CarbonylContact C-O 3.34Å; C176-D200 WeakPolarHBondContact CB-O 3.47Å; C176-D200 PolarHBondContact N-O 3.04Å; C176-Y319 HydrophobicContact CB-CD1 4.13Å; C176-Y319 HydrophobicContact CB-CE1 4.25Å; C176-C379 WeakPolarHBondContact CA-SG 3.23Å; C176-C379 HydrophobicContact CB-CB 3.86Å; C176-C379 WeakPolarHBondContact CB-SG 3.44Å; C176-C379 WeakPolarHBondContact SG-CB 3.35Å; C176-C379 CovalentContact SG-SG 2.04Å; C176-C379 PolarHBondContact SG-SG 3.11Å
177	G	98.8	Very high	98.3	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-38.2	-172.7	0	0	0	0	0	113.9	Q175 D181 Q198 R199 D200 G202	Q175-G177 PolarHBondContact O-N 3.32Å; Q175-G177 VanDerWaalsContact O-N 3.15Å; G177-D181 WeakPolarHBondContact O-CB 3.35Å; G177-D181 PolarHBondContact O-N 3.4Å; G177-Q198 WeakPolarHBondContact CA-O 3.39Å; G177-R199 WeakPolarHBondContact CA-O 3.35Å; G177-R199 PolarHBondContact N-O 2.87Å; G177-D200 PolarHBondContact N-O 3.2Å; G177-D200 VanDerWaalsContact N-O 3.17Å; G177-G202 WeakPolarHBondContact O-CA 3.46Å
178	Q	98.6	Very high	98.3	Very high	137 Å²	137	34.4 Å²	34.4	64%	0.64	18%	0.178	S	C	*	.	H	α-helix	trans	-70.1	-38.4	176.5	-170.6	-179	2.2	0	0	112.1	C176 K182	C176-Q178 VanDerWaalsContact C-N 3.32Å; C176-Q178 PolarHBondContact O-N 3.24Å; Q178-K182 WeakPolarHBondContact O-CG 3.12Å; Q178-K182 PolarHBondContact O-N 3.35Å
179	E	98.7	Very high	98.3	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-45.9	176.2	-170.6	174.9	132.8	0	0	110.9	C176 D181 K182 Y319 K373 C379	C176-E179 PolarHBondContact O-N 3.49Å; C176-E179 VanDerWaalsContact O-N 3.13Å; E179-D181 VanDerWaalsContact C-N 3.33Å; E179-D181 PolarHBondContact O-N 3.45Å; E179-K182 WeakPolarHBondContact O-CB 3.09Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-K182 VanDerWaalsContact O-N 3.15Å; E179-Y319 WeakPolarHBondContact CG-OH 3.33Å; E179-Y319 PolarHBondContact OE1-OH 2.92Å; E179-K373 IonicContact OE1-NZ 3.19Å; E179-K373 PolarHBondContact OE1-NZ 3.36Å; E179-C379 HydrophobicContact CB-CB 4.4Å
180	I	98.9	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-48.2	175.8	-69.8	164.7	0	0	0	110.5	A163 V165 C176 K182 S183 V186 Y319	A163-I180 HydrophobicContact CB-CG2 4.21Å; V165-I180 HydrophobicContact CG2-CD1 4.29Å; V165-I180 HydrophobicContact CG2-CG2 3.92Å; C176-I180 HydrophobicContact CB-CD1 4.03Å; C176-I180 HydrophobicContact CB-CG1 4.44Å; C176-I180 WeakPolarHBondContact O-CB 3.47Å; C176-I180 VanDerWaalsContact O-CG1 3.31Å; C176-I180 WeakPolarHBondContact O-CG1 3.28Å; C176-I180 PolarHBondContact O-N 3.39Å; I180-K182 PolarHBondContact O-N 3.22Å; I180-S183 VanDerWaalsContact O-CB 3.25Å; I180-S183 WeakPolarHBondContact O-CB 3.16Å; I180-S183 PolarHBondContact O-N 2.96Å; I180-S183 PolarHBondContact O-OG 3.41Å; I180-V186 HydrophobicContact CG2-CG1 4.01Å; I180-V186 HydrophobicContact CG2-CG2 4.23Å; I180-Y319 HydrophobicContact CD1-CD1 4.1Å; I180-Y319 HydrophobicContact CD1-CD2 4.37Å; I180-Y319 HydrophobicContact CD1-CG 3.95Å; I180-Y319 HydrophobicContact CG1-CD1 3.95Å; I180-Y319 HydrophobicContact CG1-CD2 3.8Å; I180-Y319 HydrophobicContact CG1-CE1 4.09Å; I180-Y319 HydrophobicContact CG1-CE2 3.92Å; I180-Y319 HydrophobicContact CG1-CG 3.81Å
181	D	98.8	Very high	98.4	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.193	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-14.9	-177.6	-78.5	-2.2	0	0	0	113.8	G177 E179 S183 G202 R203 K204	G177-D181 WeakPolarHBondContact O-CB 3.35Å; G177-D181 PolarHBondContact O-N 3.4Å; E179-D181 VanDerWaalsContact C-N 3.33Å; E179-D181 PolarHBondContact O-N 3.45Å; D181-S183 VanDerWaalsContact C-N 3.29Å; D181-G202 VanDerWaalsContact OD1-CA 3.3Å; D181-G202 WeakPolarHBondContact OD1-CA 3.49Å; D181-R203 PolarHBondContact OD1-N 3.26Å; D181-R203 WeakPolarHBondContact OD2-CG 3.25Å; D181-R203 PolarHBondContact OD2-N 2.89Å; D181-K204 HydrophobicContact CB-CB 4.3Å; D181-K204 WeakPolarHBondContact O-CE 3.48Å; D181-K204 PolarHBondContact O-NZ 2.8Å; D181-K204 WeakPolarHBondContact OD1-CB 3.07Å; D181-K204 PolarHBondContact OD1-N 3.16Å
182	K	98.8	Very high	98.4	Very high	144 Å²	144	38.6 Å²	38.6	63%	0.626	20%	0.2	S	C	*	.	H	α-helix	trans	-74.1	-19.2	171.5	-74.4	168.2	-175.6	169.7	0	113	Q178 E179 I180	Q178-K182 WeakPolarHBondContact O-CG 3.12Å; Q178-K182 PolarHBondContact O-N 3.35Å; E179-K182 WeakPolarHBondContact O-CB 3.09Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-K182 VanDerWaalsContact O-N 3.15Å; I180-K182 PolarHBondContact O-N 3.22Å
183	S	98.8	Very high	98.4	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-61.9	147.4	178.5	-52.8	0	0	0	0	111.6	A163 I180 D181 F185 K204	A163-S183 WeakPolarHBondContact CB-OG 3.26Å; I180-S183 VanDerWaalsContact O-CB 3.25Å; I180-S183 WeakPolarHBondContact O-CB 3.16Å; I180-S183 PolarHBondContact O-N 2.96Å; I180-S183 PolarHBondContact O-OG 3.41Å; D181-S183 VanDerWaalsContact C-N 3.29Å; S183-F185 VanDerWaalsContact C-N 3.3Å; S183-F185 PolarHBondContact O-N 3.29Å; S183-K204 WeakPolarHBondContact O-CD 3.29Å; S183-K204 PolarHBondContact O-NZ 2.91Å
184	D	98.8	Very high	98.4	Very high	77 Å²	77	37.7 Å²	37.7	41%	0.412	19%	0.189	S	C	.	.	S	Bend	trans	-68.5	-33.4	177.3	-59.9	-57.4	0	0	0	111.6	N160 I161	N160-D184 VanDerWaalsContact CB-OD2 3.26Å; N160-D184 WeakPolarHBondContact CB-OD2 3.35Å; N160-D184 PolarHBondContact N-OD2 3Å; I161-D184 PolarHBondContact N-OD2 3.01Å; I161-D184 WeakPolarHBondContact O-CB 3.11Å; I161-D184 PolarHBondContact O-N 3.36Å
185	F	98.9	Very high	98.3	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132	178	-162	-79.2	0	0	0	111.9	Y159 I161 C162 A163 S183 F187 N206 L207	Y159-F185 HydrophobicContact CD1-CB 4.07Å; Y159-F185 HydrophobicContact CD1-CD2 4.04Å; Y159-F185 HydrophobicContact CD2-CB 4.04Å; Y159-F185 AromaticContact CD2-CD2 3.75Å; Y159-F185 HydrophobicContact CD2-CD2 3.75Å; Y159-F185 HydrophobicContact CD2-CE2 4.44Å; Y159-F185 HydrophobicContact CD2-CG 4.05Å; Y159-F185 AromaticContact CE1-CD2 3.7Å; Y159-F185 HydrophobicContact CE1-CD2 3.7Å; Y159-F185 HydrophobicContact CE1-CE2 4.44Å; Y159-F185 AromaticContact CE2-CD2 3.38Å; Y159-F185 HydrophobicContact CE2-CD2 3.38Å; Y159-F185 AromaticContact CE2-CE2 3.71Å; Y159-F185 HydrophobicContact CE2-CE2 3.71Å; Y159-F185 HydrophobicContact CE2-CG 4.12Å; Y159-F185 HydrophobicContact CG-CB 3.78Å; Y159-F185 HydrophobicContact CG-CD2 4.06Å; Y159-F185 HydrophobicContact CG-CG 4.25Å; Y159-F185 AromaticContact CZ-CD2 3.35Å; Y159-F185 AromaticContact CZ-CE2 3.7Å; I161-F185 PolarHBondContact O-N 3.49Å; C162-F185 CarbonylContact C-O 3.53Å; C162-F185 VanDerWaalsContact CA-O 3.26Å; C162-F185 WeakPolarHBondContact CA-O 3.44Å; A163-F185 PolarHBondContact N-O 3.44Å; S183-F185 VanDerWaalsContact C-N 3.3Å; S183-F185 PolarHBondContact O-N 3.29Å; F185-F187 HydrophobicContact CD1-CD1 4.46Å; F185-F187 AromaticContact CD1-CD2 3.59Å; F185-F187 HydrophobicContact CD1-CD2 3.59Å; F185-F187 HydrophobicContact CD1-CE1 4.19Å; F185-F187 AromaticContact CD1-CE2 3.25Å; F185-F187 HydrophobicContact CD1-CE2 3.25Å; F185-F187 HydrophobicContact CD1-CG 4.18Å; F185-F187 AromaticContact CD1-CZ 3.59Å; F185-F187 HydrophobicContact CD1-CZ 3.59Å; F185-F187 AromaticContact CE1-CD1 3.95Å; F185-F187 HydrophobicContact CE1-CD1 3.95Å; F185-F187 AromaticContact CE1-CD2 3.91Å; F185-F187 HydrophobicContact CE1-CD2 3.91Å; F185-F187 AromaticContact CE1-CE1 3.66Å; F185-F187 HydrophobicContact CE1-CE1 3.66Å; F185-F187 AromaticContact CE1-CE2 3.63Å; F185-F187 HydrophobicContact CE1-CE2 3.63Å; F185-F187 HydrophobicContact CE1-CG 4.05Å; F185-F187 AromaticContact CE1-CZ 3.49Å; F185-F187 HydrophobicContact CE1-CZ 3.49Å; F185-F187 VanDerWaalsContact CE1-CZ 3.49Å; F185-F187 HydrophobicContact CG-CE2 4.27Å; F185-F187 HydrophobicContact CZ-CZ 4.46Å; F185-N206 WeakPolarHBondContact CA-OD1 3.27Å; F185-N206 HydrophobicContact CD1-CB 3.75Å; F185-N206 HydrophobicContact CD2-CB 3.48Å; F185-N206 VanDerWaalsContact CD2-CB 3.48Å; F185-N206 HydrophobicContact CE1-CB 3.66Å; F185-N206 HydrophobicContact CE2-CB 3.41Å; F185-N206 VanDerWaalsContact CE2-CB 3.41Å; F185-N206 HydrophobicContact CG-CB 3.68Å; F185-N206 HydrophobicContact CZ-CB 3.5Å; F185-N206 VanDerWaalsContact CZ-CB 3.5Å; F185-L207 HydrophobicContact CE1-CB 3.68Å; F185-L207 HydrophobicContact CZ-CB 3.88Å
186	V	98.9	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.4	179.5	-175.9	0	0	0	0	111.1	A163 V165 I180 R188 K204 N206 L207	A163-V186 HydrophobicContact CB-CG2 4.35Å; A163-V186 WeakPolarHBondContact O-CA 3.48Å; V165-V186 HydrophobicContact CG2-CG1 3.97Å; I180-V186 HydrophobicContact CG2-CG1 4.01Å; I180-V186 HydrophobicContact CG2-CG2 4.23Å; V186-R188 HydrophobicContact CG1-CG 4.14Å; V186-K204 HydrophobicContact CB-CG 4.3Å; V186-K204 WeakPolarHBondContact CG1-O 3.25Å; V186-K204 HydrophobicContact CG2-CB 4.02Å; V186-K204 HydrophobicContact CG2-CD 3.68Å; V186-K204 HydrophobicContact CG2-CG 3.74Å; V186-N206 PolarHBondContact N-OD1 3.22Å; V186-N206 PolarHBondContact O-N 3.08Å; V186-L207 PolarHBondContact O-N 3.26Å
187	F	98.9	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.4	170.3	-58.8	-104	0	0	0	109.9	C162 A163 V164 V165 F185 L207 M305 A309 I312	C162-F187 HydrophobicContact CB-CE2 4.09Å; A163-F187 PolarHBondContact O-N 3.08Å; V164-F187 HydrophobicContact CB-CB 4.43Å; V164-F187 HydrophobicContact CG1-CB 4.26Å; V164-F187 HydrophobicContact CG2-CB 4.19Å; V164-F187 HydrophobicContact CG2-CD2 3.91Å; V164-F187 HydrophobicContact CG2-CG 4.23Å; V165-F187 PolarHBondContact N-O 3.09Å; F185-F187 HydrophobicContact CD1-CD1 4.46Å; F185-F187 AromaticContact CD1-CD2 3.59Å; F185-F187 HydrophobicContact CD1-CD2 3.59Å; F185-F187 HydrophobicContact CD1-CE1 4.19Å; F185-F187 AromaticContact CD1-CE2 3.25Å; F185-F187 HydrophobicContact CD1-CE2 3.25Å; F185-F187 HydrophobicContact CD1-CG 4.18Å; F185-F187 AromaticContact CD1-CZ 3.59Å; F185-F187 HydrophobicContact CD1-CZ 3.59Å; F185-F187 AromaticContact CE1-CD1 3.95Å; F185-F187 HydrophobicContact CE1-CD1 3.95Å; F185-F187 AromaticContact CE1-CD2 3.91Å; F185-F187 HydrophobicContact CE1-CD2 3.91Å; F185-F187 AromaticContact CE1-CE1 3.66Å; F185-F187 HydrophobicContact CE1-CE1 3.66Å; F185-F187 AromaticContact CE1-CE2 3.63Å; F185-F187 HydrophobicContact CE1-CE2 3.63Å; F185-F187 HydrophobicContact CE1-CG 4.05Å; F185-F187 AromaticContact CE1-CZ 3.49Å; F185-F187 HydrophobicContact CE1-CZ 3.49Å; F185-F187 VanDerWaalsContact CE1-CZ 3.49Å; F185-F187 HydrophobicContact CG-CE2 4.27Å; F185-F187 HydrophobicContact CZ-CZ 4.46Å; F187-L207 CarbonylContact C-O 3.57Å; F187-L207 WeakPolarHBondContact CA-O 3.2Å; F187-L207 HydrophobicContact CD1-CB 4.07Å; F187-L207 HydrophobicContact CD1-CD1 4.08Å; F187-L207 HydrophobicContact CD1-CD2 4.09Å; F187-L207 HydrophobicContact CD1-CG 4.32Å; F187-L207 HydrophobicContact CE1-CD1 4.09Å; F187-M305 HydrophobicContact CD1-SD 4.2Å; F187-A309 HydrophobicContact CD2-CB 4.25Å; F187-A309 HydrophobicContact CE1-CB 4.35Å; F187-A309 HydrophobicContact CE2-CB 3.65Å; F187-A309 HydrophobicContact CZ-CB 3.72Å; F187-I312 HydrophobicContact CZ-CD1 3.86Å; F187-I312 HydrophobicContact CZ-CG1 4.33Å
188	R	98.9	Very high	98.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.3	174.4	-59.6	-172.3	-177.4	-83.8	-2.4	111	V165 V186 V201 G202 K204 T205 L207 T208 T209	V165-R188 HydrophobicContact CB-CG 4.48Å; V186-R188 HydrophobicContact CG1-CG 4.14Å; R188-V201 VanDerWaalsContact CZ-O 3.25Å; R188-V201 PolarHBondContact NH1-O 3.04Å; R188-V201 PolarHBondContact NH2-O 3.45Å; R188-G202 PolarHBondContact NH2-O 2.98Å; R188-K204 VanDerWaalsContact CZ-O 3.3Å; R188-K204 PolarHBondContact NE-O 2.88Å; R188-K204 PolarHBondContact NH2-O 2.97Å; R188-T205 VanDerWaalsContact CD-OG1 3.31Å; R188-T205 WeakPolarHBondContact CD-OG1 3.43Å; R188-T205 HydrophobicContact CG-CG2 4.31Å; R188-T205 PolarHBondContact NE-OG1 2.79Å; R188-L207 PolarHBondContact N-O 3.33Å; R188-T208 WeakPolarHBondContact O-CA 3.09Å; R188-T209 PolarHBondContact O-N 2.91Å; R188-T209 VanDerWaalsContact O-N 3.08Å
189	C	98.3	Very high	98.2	Very high	5 Å²	5	52 Å²	52	3%	0.034	26%	0.261	C	S	.	.	S	Bend	trans	-108.4	131.7	-174.9	-61.4	0	0	0	0	112.1	N167 F191 A192 T301	N167-C189 PolarHBondContact ND2-O 3.04Å; N167-C189 PolarHBondContact OD1-O 3.46Å; C189-F191 PolarHBondContact O-N 2.81Å; C189-A192 WeakPolarHBondContact O-CB 3.25Å; C189-A192 PolarHBondContact O-N 2.81Å; C189-T301 HydrophobicContact CB-CG2 4.16Å
190	N	97.6	Very high	98.2	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	41.8	166.9	-50.3	-52.6	0	0	0	114.1	A192 T209	N190-A192 PolarHBondContact O-N 2.97Å; N190-A192 VanDerWaalsContact O-N 3.16Å; N190-T209 CarbonylContact C-O 3.19Å; N190-T209 WeakPolarHBondContact CA-O 3.14Å; N190-T209 PolarHBondContact N-O 3.4Å; N190-T209 PolarHBondContact N-OG1 2.87Å
191	F	98.1	Very high	98.2	Very high	35 Å²	35	50.8 Å²	50.8	15%	0.154	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	35.4	177.2	-150.5	-106.5	0	0	0	113.3	C189 T208 T209 F210 I214 Y219 L235 L238 L243	C189-F191 PolarHBondContact O-N 2.81Å; F191-T208 WeakPolarHBondContact CA-OG1 3.3Å; F191-T208 HydrophobicContact CD2-CG2 3.75Å; F191-T208 HydrophobicContact CE2-CG2 4.28Å; F191-T208 PolarHBondContact N-OG1 2.98Å; F191-T209 PolarHBondContact N-O 3.18Å; F191-F210 HydrophobicContact CB-CD2 3.84Å; F191-F210 HydrophobicContact CB-CE2 4.35Å; F191-F210 HydrophobicContact CD1-CD2 4.48Å; F191-F210 HydrophobicContact CD1-CE2 4.34Å; F191-F210 AromaticContact CD2-CD2 3.6Å; F191-F210 HydrophobicContact CD2-CD2 3.6Å; F191-F210 HydrophobicContact CD2-CE2 4.14Å; F191-F210 HydrophobicContact CE2-CD2 4.2Å; F191-F210 HydrophobicContact CE2-CE2 4.47Å; F191-F210 AromaticContact CG-CD2 3.75Å; F191-F210 HydrophobicContact CG-CD2 3.75Å; F191-F210 HydrophobicContact CG-CE2 4.05Å; F191-I214 HydrophobicContact CB-CD1 3.79Å; F191-Y219 WeakPolarHBondContact CE1-OH 3.25Å; F191-L235 HydrophobicContact CE2-CD2 4.48Å; F191-L238 HydrophobicContact CD2-CD1 4.46Å; F191-L238 HydrophobicContact CE2-CD1 3.65Å; F191-L238 HydrophobicContact CE2-CG 4.33Å; F191-L238 HydrophobicContact CZ-CD1 4.47Å; F191-L243 HydrophobicContact CD2-CD1 3.89Å; F191-L243 HydrophobicContact CE2-CD1 3.95Å
192	A	97.4	Very high	98.2	Very high	11 Å²	11	49.1 Å²	49.1	9%	0.091	25%	0.247	C	C	.	.			trans	-62.5	140.9	-175.4	0	0	0	0	0	112	N167 C189 N190 Y338 Y339	N167-A192 WeakPolarHBondContact OD1-CB 3.45Å; C189-A192 WeakPolarHBondContact O-CB 3.25Å; C189-A192 PolarHBondContact O-N 2.81Å; N190-A192 PolarHBondContact O-N 2.97Å; N190-A192 VanDerWaalsContact O-N 3.16Å; A192-Y338 HydrophobicContact CB-CE1 4.42Å; A192-Y338 VanDerWaalsContact CB-OH 3.25Å; A192-Y338 WeakPolarHBondContact CB-OH 3.48Å; A192-Y339 HydrophobicContact CB-CD1 4.33Å; A192-Y339 HydrophobicContact CB-CE1 3.81Å
193	P	97.2	Very high	98.1	Very high	58 Å²	58	51.2 Å²	51.2	38%	0.377	25%	0.251	S	S	.	.			trans	-70.9	144.8	-175.3	29.7	-36.5	0	0	0	112	F197 Y338 Y339	P193-F197 HydrophobicContact CB-CD2 4.32Å; P193-F197 HydrophobicContact CB-CE2 4.25Å; P193-F197 HydrophobicContact CG-CD2 4.16Å; P193-F197 HydrophobicContact CG-CE2 3.89Å; P193-Y338 VanDerWaalsContact O-CE2 3.28Å; P193-Y338 WeakPolarHBondContact O-CE2 3.22Å; P193-Y338 PolarHBondContact O-OH 2.83Å; P193-Y339 HydrophobicContact CG-CD1 3.87Å; P193-Y339 HydrophobicContact CG-CG 3.79Å
194	T	98	Very high	98.1	Very high	29 Å²	29	54.5 Å²	54.5	18%	0.178	27%	0.265	C	S	.	.			trans	-121.1	-30.6	178.9	55.1	0	0	0	0	113.6	A196 F197 Q198 V201 G202	T194-A196 PolarHBondContact O-N 3.38Å; T194-F197 CarbonylContact O-C 3.13Å; T194-F197 PolarHBondContact O-N 2.77Å; T194-Q198 WeakPolarHBondContact O-CA 3.29Å; T194-Q198 PolarHBondContact O-N 2.98Å; T194-V201 HydrophobicContact CG2-CG2 4.21Å; T194-G202 WeakPolarHBondContact CB-O 3.47Å
195	E	95.3	Very high	98.1	Very high	118 Å²	118	52.2 Å²	52.2	55%	0.551	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-56.6	-49	-168.7	-67.9	-178.4	145.2	0	0	113.9	F197 Q198 K237	E195-F197 VanDerWaalsContact C-N 3.27Å; E195-F197 PolarHBondContact O-N 3.04Å; E195-Q198 PolarHBondContact O-NE2 2.93Å; E195-K237 VanDerWaalsContact OE1-CD 3.31Å; E195-K237 WeakPolarHBondContact OE1-CD 3.46Å; E195-K237 WeakPolarHBondContact OE1-CE 3.18Å; E195-K237 IonicContact OE1-NZ 2.7Å; E195-K237 PolarHBondContact OE1-NZ 3.43Å; E195-K237 IonicContact OE2-NZ 2.86Å; E195-K237 PolarHBondContact OE2-NZ 2.82Å
196	A	96.7	Very high	98.1	Very high	89 Å²	89	54.3 Å²	54.3	74%	0.736	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-77.2	-12.6	178.3	0	0	0	0	0	113.5	T194	T194-A196 PolarHBondContact O-N 3.38Å
197	F	98.3	Very high	98.1	Very high	56 Å²	56	54.3 Å²	54.3	25%	0.246	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-119.7	7.6	-169.7	-53.8	-76.5	0	0	0	112.7	P193 T194 E195 R199 D200 V201 Y338	P193-F197 HydrophobicContact CB-CD2 4.32Å; P193-F197 HydrophobicContact CB-CE2 4.25Å; P193-F197 HydrophobicContact CG-CD2 4.16Å; P193-F197 HydrophobicContact CG-CE2 3.89Å; T194-F197 CarbonylContact O-C 3.13Å; T194-F197 PolarHBondContact O-N 2.77Å; E195-F197 VanDerWaalsContact C-N 3.27Å; E195-F197 PolarHBondContact O-N 3.04Å; F197-R199 PolarHBondContact O-N 2.8Å; F197-D200 PolarHBondContact O-N 2.79Å; F197-V201 HydrophobicContact CB-CG1 4.41Å; F197-V201 HydrophobicContact CB-CG2 3.83Å; F197-V201 WeakPolarHBondContact O-CG2 3.44Å; F197-V201 PolarHBondContact O-N 3.08Å; F197-Y338 HydrophobicContact CB-CD2 4.04Å; F197-Y338 HydrophobicContact CB-CE2 3.88Å; F197-Y338 AromaticContact CD1-CD2 3.98Å; F197-Y338 HydrophobicContact CD1-CD2 3.98Å; F197-Y338 HydrophobicContact CD1-CE2 4.43Å; F197-Y338 HydrophobicContact CD2-CD2 4.16Å; F197-Y338 AromaticContact CD2-CE2 3.82Å; F197-Y338 HydrophobicContact CD2-CE2 3.82Å; F197-Y338 WeakPolarHBondContact CE1-O 3.35Å; F197-Y338 AromaticContact CG-CD2 3.78Å; F197-Y338 HydrophobicContact CG-CD2 3.78Å; F197-Y338 AromaticContact CG-CE2 3.78Å; F197-Y338 HydrophobicContact CG-CE2 3.78Å
198	Q	98.1	Very high	98.1	Very high	100 Å²	100	54.5 Å²	54.5	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-27.6	-167.5	67.9	-173.9	-78.7	0	0	114.1	G177 T194 E195 D200 G202	G177-Q198 WeakPolarHBondContact CA-O 3.39Å; T194-Q198 WeakPolarHBondContact O-CA 3.29Å; T194-Q198 PolarHBondContact O-N 2.98Å; E195-Q198 PolarHBondContact O-NE2 2.93Å; Q198-D200 VanDerWaalsContact C-N 3.25Å; Q198-D200 PolarHBondContact O-N 2.91Å; Q198-G202 WeakPolarHBondContact O-CA 3.28Å; Q198-G202 PolarHBondContact O-N 3.47Å
199	R	98.5	Very high	98.1	Very high	210 Å²	210	54.3 Å²	54.3	79%	0.792	27%	0.266	S	S	*	.	H	α-helix	trans	-63.9	-35.2	175.4	-67	-172.4	-166.3	166.6	4	111.8	Q175 G177 F197	Q175-R199 CarbonylContact C-O 3.55Å; Q175-R199 VanDerWaalsContact CA-O 3.27Å; Q175-R199 WeakPolarHBondContact CA-O 3.43Å; G177-R199 WeakPolarHBondContact CA-O 3.35Å; G177-R199 PolarHBondContact N-O 2.87Å; F197-R199 PolarHBondContact O-N 2.8Å
200	D	98.8	Very high	98.1	Very high	24 Å²	24	54.1 Å²	54.1	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-94	-39.6	-175.5	-70.8	-26.6	0	0	0	112.1	L171 G173 S174 Q175 C176 G177 F197 Q198	L171-D200 WeakPolarHBondContact O-CB 3.43Å; L171-D200 VanDerWaalsContact O-CG 3.29Å; G173-D200 WeakPolarHBondContact CA-OD1 3.29Å; G173-D200 PolarHBondContact N-OD1 3.15Å; G173-D200 PolarHBondContact N-OD2 3.17Å; S174-D200 PolarHBondContact N-OD1 3.17Å; Q175-D200 PolarHBondContact N-OD1 3.4Å; C176-D200 CarbonylContact C-O 3.34Å; C176-D200 WeakPolarHBondContact CB-O 3.47Å; C176-D200 PolarHBondContact N-O 3.04Å; G177-D200 PolarHBondContact N-O 3.2Å; G177-D200 VanDerWaalsContact N-O 3.17Å; F197-D200 PolarHBondContact O-N 2.79Å; Q198-D200 VanDerWaalsContact C-N 3.25Å; Q198-D200 PolarHBondContact O-N 2.91Å
201	V	98.8	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-115.3	-4.5	-170.5	-48.1	0	0	0	0	114.3	L171 R188 T194 F197 Y338	L171-V201 HydrophobicContact CB-CG1 3.99Å; L171-V201 HydrophobicContact CD1-CG1 3.83Å; L171-V201 HydrophobicContact CG-CG1 4.46Å; R188-V201 VanDerWaalsContact CZ-O 3.25Å; R188-V201 PolarHBondContact NH1-O 3.04Å; R188-V201 PolarHBondContact NH2-O 3.45Å; T194-V201 HydrophobicContact CG2-CG2 4.21Å; F197-V201 HydrophobicContact CB-CG1 4.41Å; F197-V201 HydrophobicContact CB-CG2 3.83Å; F197-V201 WeakPolarHBondContact O-CG2 3.44Å; F197-V201 PolarHBondContact O-N 3.08Å; V201-Y338 HydrophobicContact CG1-CD1 4.16Å; V201-Y338 HydrophobicContact CG1-CD2 3.94Å; V201-Y338 HydrophobicContact CG1-CE1 4.12Å; V201-Y338 HydrophobicContact CG1-CE2 3.89Å; V201-Y338 HydrophobicContact CG1-CG 4.08Å; V201-Y338 HydrophobicContact CG2-CE2 4.14Å
202	G	98.6	Very high	97.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.			trans	76.1	173.9	-178	0	0	0	0	0	113	G177 D181 R188 T194 Q198	G177-G202 WeakPolarHBondContact O-CA 3.46Å; D181-G202 VanDerWaalsContact OD1-CA 3.3Å; D181-G202 WeakPolarHBondContact OD1-CA 3.49Å; R188-G202 PolarHBondContact NH2-O 2.98Å; T194-G202 WeakPolarHBondContact CB-O 3.47Å; Q198-G202 WeakPolarHBondContact O-CA 3.28Å; Q198-G202 PolarHBondContact O-N 3.47Å
203	R	98.1	Very high	97.7	Very high	188 Å²	188	52.3 Å²	52.3	71%	0.709	26%	0.258	S	S	*	.	S	Bend	trans	-111.1	-24.1	175.3	55.2	170.5	173.2	-171	-1.4	113.3	D181 T205	D181-R203 PolarHBondContact OD1-N 3.26Å; D181-R203 WeakPolarHBondContact OD2-CG 3.25Å; D181-R203 PolarHBondContact OD2-N 2.89Å; R203-T205 PolarHBondContact O-N 2.78Å; R203-T205 PolarHBondContact O-OG1 2.73Å
204	K	98.8	Very high	97.6	Very high	73 Å²	73	50.1 Å²	50.1	32%	0.317	24%	0.243	S	C	.	.			trans	-61.2	130.3	-178.2	-178.8	179.5	-81.6	176	0	109.1	D181 S183 V186 R188	D181-K204 HydrophobicContact CB-CB 4.3Å; D181-K204 WeakPolarHBondContact O-CE 3.48Å; D181-K204 PolarHBondContact O-NZ 2.8Å; D181-K204 WeakPolarHBondContact OD1-CB 3.07Å; D181-K204 PolarHBondContact OD1-N 3.16Å; S183-K204 WeakPolarHBondContact O-CD 3.29Å; S183-K204 PolarHBondContact O-NZ 2.91Å; V186-K204 HydrophobicContact CB-CG 4.3Å; V186-K204 WeakPolarHBondContact CG1-O 3.25Å; V186-K204 HydrophobicContact CG2-CB 4.02Å; V186-K204 HydrophobicContact CG2-CD 3.68Å; V186-K204 HydrophobicContact CG2-CG 3.74Å; R188-K204 VanDerWaalsContact CZ-O 3.3Å; R188-K204 PolarHBondContact NE-O 2.88Å; R188-K204 PolarHBondContact NH2-O 2.97Å
205	T	98.8	Very high	97.4	Very high	29 Å²	29	48.8 Å²	48.8	18%	0.178	24%	0.235	C	C	.	.			trans	-142.1	117.5	176.8	-55.7	0	0	0	0	107.3	R188 R203 T208 L238 A241	R188-T205 VanDerWaalsContact CD-OG1 3.31Å; R188-T205 WeakPolarHBondContact CD-OG1 3.43Å; R188-T205 HydrophobicContact CG-CG2 4.31Å; R188-T205 PolarHBondContact NE-OG1 2.79Å; R203-T205 PolarHBondContact O-N 2.78Å; R203-T205 PolarHBondContact O-OG1 2.73Å; T205-T208 HydrophobicContact CG2-CG2 4.41Å; T205-L238 HydrophobicContact CG2-CD2 4.08Å; T205-A241 WeakPolarHBondContact O-CB 3.25Å
206	N	98.9	Very high	97.3	Very high	47 Å²	47	48.5 Å²	48.5	25%	0.251	23%	0.233	S	C	.	.	S	Bend	trans	-107	-27.4	174.8	-59	92.6	0	0	0	111.1	F185 V186 A241 I242	F185-N206 WeakPolarHBondContact CA-OD1 3.27Å; F185-N206 HydrophobicContact CD1-CB 3.75Å; F185-N206 HydrophobicContact CD2-CB 3.48Å; F185-N206 VanDerWaalsContact CD2-CB 3.48Å; F185-N206 HydrophobicContact CE1-CB 3.66Å; F185-N206 HydrophobicContact CE2-CB 3.41Å; F185-N206 VanDerWaalsContact CE2-CB 3.41Å; F185-N206 HydrophobicContact CG-CB 3.68Å; F185-N206 HydrophobicContact CZ-CB 3.5Å; F185-N206 VanDerWaalsContact CZ-CB 3.5Å; V186-N206 PolarHBondContact N-OD1 3.22Å; V186-N206 PolarHBondContact O-N 3.08Å; N206-A241 CarbonylContact O-C 3.48Å; N206-A241 WeakPolarHBondContact O-CA 3.5Å; N206-A241 WeakPolarHBondContact O-CB 3.23Å; N206-I242 PolarHBondContact O-N 2.95Å
207	L	98.9	Very high	97.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.9	168.5	-173.5	153.7	0	0	0	109.9	F114 F185 V186 F187 R188 T209 I242 W244 M305	F114-L207 HydrophobicContact CE2-CD1 3.66Å; F114-L207 HydrophobicContact CZ-CD1 3.53Å; F185-L207 HydrophobicContact CE1-CB 3.68Å; F185-L207 HydrophobicContact CZ-CB 3.88Å; V186-L207 PolarHBondContact O-N 3.26Å; F187-L207 CarbonylContact C-O 3.57Å; F187-L207 WeakPolarHBondContact CA-O 3.2Å; F187-L207 HydrophobicContact CD1-CB 4.07Å; F187-L207 HydrophobicContact CD1-CD1 4.08Å; F187-L207 HydrophobicContact CD1-CD2 4.09Å; F187-L207 HydrophobicContact CD1-CG 4.32Å; F187-L207 HydrophobicContact CE1-CD1 4.09Å; R188-L207 PolarHBondContact N-O 3.33Å; L207-T209 HydrophobicContact CD2-CG2 4.09Å; L207-I242 VanDerWaalsContact CA-O 3.29Å; L207-I242 WeakPolarHBondContact CA-O 3.31Å; L207-I242 HydrophobicContact CB-CB 4.32Å; L207-I242 HydrophobicContact CD1-CB 4.23Å; L207-I242 HydrophobicContact CD1-CG2 4.11Å; L207-I242 HydrophobicContact CG-CB 4.14Å; L207-I242 HydrophobicContact CG-CG2 4.26Å; L207-W244 HydrophobicContact CD1-CB 4.29Å; L207-W244 HydrophobicContact CD2-CB 3.98Å; L207-W244 HydrophobicContact CG-CB 4.18Å; L207-M305 HydrophobicContact CD2-SD 3.7Å
208	T	98.9	Very high	96.9	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.7	162.5	-169.2	0	0	0	0	110.4	R188 F191 T205 L238 I242 L243 W244	R188-T208 WeakPolarHBondContact O-CA 3.09Å; F191-T208 WeakPolarHBondContact CA-OG1 3.3Å; F191-T208 HydrophobicContact CD2-CG2 3.75Å; F191-T208 HydrophobicContact CE2-CG2 4.28Å; F191-T208 PolarHBondContact N-OG1 2.98Å; T205-T208 HydrophobicContact CG2-CG2 4.41Å; T208-L238 HydrophobicContact CG2-CD1 3.87Å; T208-L238 HydrophobicContact CG2-CD2 4.1Å; T208-I242 PolarHBondContact N-O 2.68Å; T208-L243 HydrophobicContact CG2-CD1 3.84Å; T208-W244 PolarHBondContact O-N 3Å
209	T	98.9	Very high	96.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	150.4	175.1	70.1	0	0	0	0	110.9	R188 N190 F191 L207 W244 T301 M305	R188-T209 PolarHBondContact O-N 2.91Å; R188-T209 VanDerWaalsContact O-N 3.08Å; N190-T209 CarbonylContact C-O 3.19Å; N190-T209 WeakPolarHBondContact CA-O 3.14Å; N190-T209 PolarHBondContact N-O 3.4Å; N190-T209 PolarHBondContact N-OG1 2.87Å; F191-T209 PolarHBondContact N-O 3.18Å; L207-T209 HydrophobicContact CD2-CG2 4.09Å; T209-W244 CarbonylContact C-O 3.54Å; T209-W244 VanDerWaalsContact CA-O 3.24Å; T209-W244 WeakPolarHBondContact CA-O 3.47Å; T209-W244 HydrophobicContact CG2-CB 4.42Å; T209-W244 HydrophobicContact CG2-CE3 3.82Å; T209-T301 HydrophobicContact CG2-CG2 3.84Å; T209-T301 WeakPolarHBondContact OG1-CG2 3Å; T209-M305 HydrophobicContact CG2-CE 3.52Å; T209-M305 HydrophobicContact CG2-CG 4.16Å; T209-M305 HydrophobicContact CG2-SD 3.39Å; T209-M305 WeakPolarHBondContact CG2-SD 3.16Å
210	F	98.6	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.206	C	C	.	.			trans	-139.6	97.7	-177	-171.5	-86.2	0	0	0	110.2	F191 P212 I214 L215 F231 L243 W244 I245 P246 L260	F191-F210 HydrophobicContact CB-CD2 3.84Å; F191-F210 HydrophobicContact CB-CE2 4.35Å; F191-F210 HydrophobicContact CD1-CD2 4.48Å; F191-F210 HydrophobicContact CD1-CE2 4.34Å; F191-F210 AromaticContact CD2-CD2 3.6Å; F191-F210 HydrophobicContact CD2-CD2 3.6Å; F191-F210 HydrophobicContact CD2-CE2 4.14Å; F191-F210 HydrophobicContact CE2-CD2 4.2Å; F191-F210 HydrophobicContact CE2-CE2 4.47Å; F191-F210 AromaticContact CG-CD2 3.75Å; F191-F210 HydrophobicContact CG-CD2 3.75Å; F191-F210 HydrophobicContact CG-CE2 4.05Å; F210-P212 WeakPolarHBondContact O-CD 3.33Å; F210-I214 HydrophobicContact CD2-CB 4.45Å; F210-I214 HydrophobicContact CD2-CD1 3.91Å; F210-I214 HydrophobicContact CD2-CG2 4.24Å; F210-I214 HydrophobicContact CE1-CB 4.31Å; F210-I214 HydrophobicContact CE2-CB 3.9Å; F210-I214 HydrophobicContact CE2-CD1 4.19Å; F210-I214 HydrophobicContact CE2-CG2 3.46Å; F210-I214 VanDerWaalsContact CE2-CG2 3.46Å; F210-I214 HydrophobicContact CG-CD1 4.2Å; F210-I214 HydrophobicContact CZ-CB 3.82Å; F210-I214 HydrophobicContact CZ-CG2 3.72Å; F210-L215 HydrophobicContact CE1-CG 4.27Å; F210-L215 HydrophobicContact CZ-CD2 4Å; F210-L215 HydrophobicContact CZ-CG 4.12Å; F210-F231 HydrophobicContact CE1-CZ 4.47Å; F210-F231 AromaticContact CE2-CE2 3.7Å; F210-F231 HydrophobicContact CE2-CE2 3.7Å; F210-F231 HydrophobicContact CE2-CZ 4.26Å; F210-F231 AromaticContact CZ-CE2 3.59Å; F210-F231 HydrophobicContact CZ-CE2 3.59Å; F210-F231 AromaticContact CZ-CZ 3.84Å; F210-F231 HydrophobicContact CZ-CZ 3.84Å; F210-L243 HydrophobicContact CB-CD1 3.59Å; F210-L243 HydrophobicContact CB-CG 3.96Å; F210-L243 HydrophobicContact CD2-CD1 4.05Å; F210-L243 HydrophobicContact CG-CD1 4.07Å; F210-L243 HydrophobicContact CG-CD2 4.49Å; F210-L243 HydrophobicContact CG-CG 4.43Å; F210-W244 PolarHBondContact N-O 3.22Å; F210-I245 HydrophobicContact CB-CG1 4.13Å; F210-I245 HydrophobicContact CD1-CG1 4.48Å; F210-I245 WeakPolarHBondContact O-CA 3.17Å; F210-P246 WeakPolarHBondContact O-CD 3.37Å; F210-L260 HydrophobicContact CD1-CD2 4.12Å; F210-L260 HydrophobicContact CE1-CD1 4.1Å; F210-L260 HydrophobicContact CE1-CD2 3.93Å
211	N	95.4	Very high	96.6	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.171	21%	0.213	C	C	.	.			trans	-66.7	127.7	167.4	-174.2	-37.8	0	0	0	108.1	S213 I214 S253	N211-S213 PolarHBondContact O-N 3.1Å; N211-S213 PolarHBondContact OD1-N 3.11Å; N211-S213 PolarHBondContact OD1-OG 2.83Å; N211-S213 VanDerWaalsContact OD1-OG 3.14Å; N211-I214 VanDerWaalsContact O-CB 3.28Å; N211-I214 WeakPolarHBondContact O-CB 3.34Å; N211-I214 WeakPolarHBondContact O-CD1 3.29Å; N211-I214 VanDerWaalsContact O-CG1 3.23Å; N211-I214 WeakPolarHBondContact O-CG1 3.17Å; N211-I214 PolarHBondContact O-N 3.03Å; N211-S253 PolarHBondContact OD1-OG 2.86Å
212	P	95.4	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-34.1	179.7	-31	37.2	0	0	0	114.2	F210 I214 L215 I245 A247 V256 L260	F210-P212 WeakPolarHBondContact O-CD 3.33Å; P212-I214 PolarHBondContact O-N 3.48Å; P212-L215 WeakPolarHBondContact O-CB 3.49Å; P212-L215 PolarHBondContact O-N 3.28Å; P212-I245 HydrophobicContact CG-CG2 3.89Å; P212-A247 HydrophobicContact CG-CB 4.23Å; P212-V256 HydrophobicContact CB-CG2 3.45Å; P212-V256 VanDerWaalsContact CB-CG2 3.45Å; P212-V256 WeakPolarHBondContact O-CG2 3.39Å; P212-L260 HydrophobicContact CB-CD2 4.47Å; P212-L260 HydrophobicContact CG-CD2 4.47Å
213	S	92.3	Very high	96.4	Very high	40 Å²	40	52.9 Å²	52.9	28%	0.28	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-11.5	178.6	70.2	0	0	0	0	114.9	N211 L215 E216 K217	N211-S213 PolarHBondContact O-N 3.1Å; N211-S213 PolarHBondContact OD1-N 3.11Å; N211-S213 PolarHBondContact OD1-OG 2.83Å; N211-S213 VanDerWaalsContact OD1-OG 3.14Å; S213-L215 PolarHBondContact O-N 2.95Å; S213-E216 PolarHBondContact O-N 3.22Å; S213-K217 PolarHBondContact O-N 3.47Å
214	I	94.9	Very high	96.3	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-36	168.4	-70	168.8	0	0	0	110.9	F191 F210 N211 P212 E216 K217 Y218 Y219	F191-I214 HydrophobicContact CB-CD1 3.79Å; F210-I214 HydrophobicContact CD2-CB 4.45Å; F210-I214 HydrophobicContact CD2-CD1 3.91Å; F210-I214 HydrophobicContact CD2-CG2 4.24Å; F210-I214 HydrophobicContact CE1-CB 4.31Å; F210-I214 HydrophobicContact CE2-CB 3.9Å; F210-I214 HydrophobicContact CE2-CD1 4.19Å; F210-I214 HydrophobicContact CE2-CG2 3.46Å; F210-I214 VanDerWaalsContact CE2-CG2 3.46Å; F210-I214 HydrophobicContact CG-CD1 4.2Å; F210-I214 HydrophobicContact CZ-CB 3.82Å; F210-I214 HydrophobicContact CZ-CG2 3.72Å; N211-I214 VanDerWaalsContact O-CB 3.28Å; N211-I214 WeakPolarHBondContact O-CB 3.34Å; N211-I214 WeakPolarHBondContact O-CD1 3.29Å; N211-I214 VanDerWaalsContact O-CG1 3.23Å; N211-I214 WeakPolarHBondContact O-CG1 3.17Å; N211-I214 PolarHBondContact O-N 3.03Å; P212-I214 PolarHBondContact O-N 3.48Å; I214-E216 PolarHBondContact O-N 2.95Å; I214-K217 PolarHBondContact O-N 3.04Å; I214-Y218 HydrophobicContact CG2-CD2 4.02Å; I214-Y218 PolarHBondContact O-N 3.29Å; I214-Y219 HydrophobicContact CG2-CD2 4.21Å; I214-Y219 HydrophobicContact CG2-CE2 3.98Å
215	L	95.2	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-45.4	175.6	-74.2	-168.6	0	0	0	112.2	F210 P212 S213 Y219 N220 N221 L222 F231 V256 L260	F210-L215 HydrophobicContact CE1-CG 4.27Å; F210-L215 HydrophobicContact CZ-CD2 4Å; F210-L215 HydrophobicContact CZ-CG 4.12Å; P212-L215 WeakPolarHBondContact O-CB 3.49Å; P212-L215 PolarHBondContact O-N 3.28Å; S213-L215 PolarHBondContact O-N 2.95Å; L215-Y219 HydrophobicContact CD2-CD2 4.2Å; L215-Y219 HydrophobicContact CD2-CG 4.4Å; L215-Y219 CarbonylContact O-C 3.56Å; L215-Y219 WeakPolarHBondContact O-CA 3.45Å; L215-Y219 PolarHBondContact O-N 2.85Å; L215-N220 PolarHBondContact O-N 2.79Å; L215-N221 PolarHBondContact O-N 3.05Å; L215-L222 HydrophobicContact CD1-CD1 3.88Å; L215-L222 HydrophobicContact CD1-CG 4.17Å; L215-L222 HydrophobicContact CD2-CD1 4.03Å; L215-L222 HydrophobicContact CD2-CD2 3.91Å; L215-L222 HydrophobicContact CD2-CG 3.96Å; L215-F231 HydrophobicContact CD2-CD1 4.02Å; L215-F231 HydrophobicContact CD2-CD2 3.92Å; L215-F231 HydrophobicContact CD2-CE1 3.87Å; L215-F231 HydrophobicContact CD2-CE2 3.79Å; L215-F231 HydrophobicContact CD2-CG 4.05Å; L215-F231 HydrophobicContact CD2-CZ 3.77Å; L215-V256 HydrophobicContact CB-CG2 4.36Å; L215-L260 HydrophobicContact CD1-CB 3.77Å; L215-L260 HydrophobicContact CD1-CD1 3.83Å; L215-L260 HydrophobicContact CD1-CG 4.35Å; L215-L260 HydrophobicContact CG-CD1 4.31Å
216	E	92.5	Very high	96.2	Very high	112 Å²	112	54.4 Å²	54.4	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-46.7	177.9	-177.6	-180	-176.7	0	0	110.6	S213 I214 N221	S213-E216 PolarHBondContact O-N 3.22Å; I214-E216 PolarHBondContact O-N 2.95Å; E216-N221 WeakPolarHBondContact CA-OD1 3.4Å; E216-N221 WeakPolarHBondContact CB-OD1 3.18Å
217	K	92.1	Very high	96.1	Very high	146 Å²	146	53.4 Å²	53.4	64%	0.635	26%	0.264	S	S	*	.	H	α-helix	trans	-74.4	-37.2	-172.5	-172.8	173.7	178.5	-163.6	0	114.3	S213 I214	S213-K217 PolarHBondContact O-N 3.47Å; I214-K217 PolarHBondContact O-N 3.04Å
218	Y	94.5	Very high	96.1	Very high	131 Å²	131	56.5 Å²	56.5	51%	0.514	28%	0.276	S	S	.	.	H	α-helix	trans	-123.1	-14.8	-168.1	-62.6	-71.1	0	0	0	114.5	I214	I214-Y218 HydrophobicContact CG2-CD2 4.02Å; I214-Y218 PolarHBondContact O-N 3.29Å
219	Y	96.5	Very high	96.1	Very high	25 Å²	25	59.7 Å²	59.7	10%	0.098	29%	0.293	C	S	.	.	S	Bend	trans	-128.3	20	-178	-60.4	-84	0	0	0	112.4	F191 I214 L215 N221 L222 D227 N230 F231 S234	F191-Y219 WeakPolarHBondContact CE1-OH 3.25Å; I214-Y219 HydrophobicContact CG2-CD2 4.21Å; I214-Y219 HydrophobicContact CG2-CE2 3.98Å; L215-Y219 HydrophobicContact CD2-CD2 4.2Å; L215-Y219 HydrophobicContact CD2-CG 4.4Å; L215-Y219 CarbonylContact O-C 3.56Å; L215-Y219 WeakPolarHBondContact O-CA 3.45Å; L215-Y219 PolarHBondContact O-N 2.85Å; Y219-N221 PolarHBondContact O-N 3.38Å; Y219-L222 PolarHBondContact O-N 3.41Å; Y219-D227 WeakPolarHBondContact O-CB 3.42Å; Y219-N230 HydrophobicContact CD1-CB 4.25Å; Y219-N230 HydrophobicContact CE1-CB 4.23Å; Y219-F231 HydrophobicContact CD1-CB 3.64Å; Y219-F231 HydrophobicContact CD1-CD2 4.18Å; Y219-F231 HydrophobicContact CD1-CG 4.34Å; Y219-F231 HydrophobicContact CD2-CD2 4.03Å; Y219-F231 HydrophobicContact CE1-CB 3.92Å; Y219-F231 HydrophobicContact CE1-CD2 4.07Å; Y219-F231 AromaticContact CE2-CD2 3.91Å; Y219-F231 HydrophobicContact CE2-CD2 3.91Å; Y219-F231 HydrophobicContact CE2-CE2 4.49Å; Y219-F231 HydrophobicContact CG-CB 4.13Å; Y219-F231 HydrophobicContact CG-CD2 4.16Å; Y219-F231 HydrophobicContact CG-CG 4.45Å; Y219-F231 AromaticContact CZ-CD2 3.93Å; Y219-S234 WeakPolarHBondContact OH-CB 3.23Å; Y219-S234 PolarHBondContact OH-OG 2.76Å
220	N	96.4	Very high	96	Very high	79 Å²	79	62.6 Å²	62.6	42%	0.422	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	46.6	44	173	-175.3	40.6	0	0	0	113.2	L215 L222 L223 D227	L215-N220 PolarHBondContact O-N 2.79Å; N220-L222 PolarHBondContact O-N 3.25Å; N220-L223 WeakPolarHBondContact O-CB 3.33Å; N220-L223 WeakPolarHBondContact O-CD1 3.39Å; N220-L223 VanDerWaalsContact O-CG 3.22Å; N220-L223 WeakPolarHBondContact O-CG 3.27Å; N220-L223 PolarHBondContact O-N 3.3Å; N220-L223 VanDerWaalsContact O-N 3.14Å; N220-D227 WeakPolarHBondContact CB-OD2 3.48Å; N220-D227 PolarHBondContact ND2-OD2 3.27Å
221	N	95.3	Very high	96	Very high	50 Å²	50	62.6 Å²	62.6	27%	0.267	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	52.3	25.5	-177.3	-63.8	-67.8	0	0	0	115.1	L215 E216 Y219 L223 T259	L215-N221 PolarHBondContact O-N 3.05Å; E216-N221 WeakPolarHBondContact CA-OD1 3.4Å; E216-N221 WeakPolarHBondContact CB-OD1 3.18Å; Y219-N221 PolarHBondContact O-N 3.38Å; N221-L223 HydrophobicContact CB-CD1 4.42Å; N221-L223 HydrophobicContact CB-CG 4.11Å; N221-L223 PolarHBondContact O-N 3.4Å; N221-T259 WeakPolarHBondContact O-CG2 3.39Å
222	L	96.7	Very high	96.2	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.058	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	57.3	29.7	-178.8	-52.6	-177.9	0	0	0	113.4	L215 Y219 N220 T224 R228 F231 T259 F263	L215-L222 HydrophobicContact CD1-CD1 3.88Å; L215-L222 HydrophobicContact CD1-CG 4.17Å; L215-L222 HydrophobicContact CD2-CD1 4.03Å; L215-L222 HydrophobicContact CD2-CD2 3.91Å; L215-L222 HydrophobicContact CD2-CG 3.96Å; Y219-L222 PolarHBondContact O-N 3.41Å; N220-L222 PolarHBondContact O-N 3.25Å; L222-T224 PolarHBondContact O-N 2.88Å; L222-R228 HydrophobicContact CB-CG 3.8Å; L222-R228 WeakPolarHBondContact O-CD 3.21Å; L222-R228 WeakPolarHBondContact O-CG 3.38Å; L222-F231 HydrophobicContact CD1-CD1 3.87Å; L222-F231 HydrophobicContact CD1-CE1 4.27Å; L222-F231 HydrophobicContact CD2-CB 3.59Å; L222-F231 HydrophobicContact CD2-CD1 3.86Å; L222-F231 HydrophobicContact CD2-CG 3.9Å; L222-T259 HydrophobicContact CB-CG2 4.2Å; L222-T259 HydrophobicContact CD1-CG2 4.25Å; L222-T259 HydrophobicContact CG-CG2 4.43Å; L222-F263 HydrophobicContact CD1-CB 3.86Å; L222-F263 HydrophobicContact CD1-CD2 3.71Å; L222-F263 HydrophobicContact CD1-CE2 4.47Å; L222-F263 HydrophobicContact CD1-CG 3.84Å
223	L	96.5	Very high	96.3	Very high	129 Å²	129	66.2 Å²	66.2	68%	0.675	33%	0.326	S	S	*	.			trans	-70.9	-27.6	-174.7	-69.2	171.9	0	0	0	113.4	N220 N221	N220-L223 WeakPolarHBondContact O-CB 3.33Å; N220-L223 WeakPolarHBondContact O-CD1 3.39Å; N220-L223 VanDerWaalsContact O-CG 3.22Å; N220-L223 WeakPolarHBondContact O-CG 3.27Å; N220-L223 PolarHBondContact O-N 3.3Å; N220-L223 VanDerWaalsContact O-N 3.14Å; N221-L223 HydrophobicContact CB-CD1 4.42Å; N221-L223 HydrophobicContact CB-CG 4.11Å; N221-L223 PolarHBondContact O-N 3.4Å
224	T	97.7	Very high	96.6	Very high	62 Å²	62	65.6 Å²	65.6	38%	0.38	32%	0.322	S	S	.	.	S	Bend	trans	-113.3	159.7	-178.9	76.8	0	0	0	0	112.2	L222 Q226 D227 R228	L222-T224 PolarHBondContact O-N 2.88Å; T224-Q226 PolarHBondContact O-N 3.18Å; T224-Q226 PolarHBondContact OG1-N 3.48Å; T224-D227 WeakPolarHBondContact CB-OD2 3.42Å; T224-D227 WeakPolarHBondContact CG2-OD2 3.47Å; T224-D227 PolarHBondContact O-N 3.48Å; T224-D227 WeakPolarHBondContact OG1-CB 3.33Å; T224-D227 PolarHBondContact OG1-N 3.25Å; T224-D227 VanDerWaalsContact OG1-N 3.07Å; T224-D227 PolarHBondContact OG1-OD2 3Å; T224-R228 WeakPolarHBondContact O-CG 3.19Å; T224-R228 PolarHBondContact O-N 2.89Å
225	I	97.2	Very high	96.7	Very high	149 Å²	149	65 Å²	65	76%	0.764	32%	0.319	S	S	*	.	H	α-helix	trans	-58.1	-40	173.4	-63.7	172.6	0	0	0	110.6	R228 N229	I225-R228 PolarHBondContact O-N 3.29Å; I225-N229 WeakPolarHBondContact O-CB 3.42Å; I225-N229 PolarHBondContact O-N 3.3Å
226	Q	97.8	Very high	96.9	Very high	112 Å²	112	71.3 Å²	71.3	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-44.3	179.1	-174	61.8	49.6	0	0	111.5	T224 R228 N229 N230	T224-Q226 PolarHBondContact O-N 3.18Å; T224-Q226 PolarHBondContact OG1-N 3.48Å; Q226-R228 VanDerWaalsContact C-N 3.34Å; Q226-R228 PolarHBondContact O-N 3.46Å; Q226-N229 PolarHBondContact O-N 3.14Å; Q226-N230 PolarHBondContact NE2-OD1 3.13Å; Q226-N230 WeakPolarHBondContact O-CB 3.35Å; Q226-N230 PolarHBondContact O-N 3.37Å; Q226-N230 PolarHBondContact O-ND2 2.92Å; Q226-N230 PolarHBondContact O-OD1 2.99Å
227	D	97.6	Very high	97.1	Very high	26 Å²	26	71.9 Å²	71.9	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-43.2	178.3	-65.6	-42.1	0	0	0	111.6	Y219 N220 T224 N230 F231	Y219-D227 WeakPolarHBondContact O-CB 3.42Å; N220-D227 WeakPolarHBondContact CB-OD2 3.48Å; N220-D227 PolarHBondContact ND2-OD2 3.27Å; T224-D227 WeakPolarHBondContact CB-OD2 3.42Å; T224-D227 WeakPolarHBondContact CG2-OD2 3.47Å; T224-D227 PolarHBondContact O-N 3.48Å; T224-D227 WeakPolarHBondContact OG1-CB 3.33Å; T224-D227 PolarHBondContact OG1-N 3.25Å; T224-D227 VanDerWaalsContact OG1-N 3.07Å; T224-D227 PolarHBondContact OG1-OD2 3Å; D227-N230 PolarHBondContact O-N 3.25Å; D227-F231 PolarHBondContact O-N 2.98Å
228	R	98.2	Very high	97.3	Very high	65 Å²	65	66 Å²	66	25%	0.245	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-44.9	174.9	-72.3	165.2	53.5	82.4	6.8	112	L222 T224 I225 Q226 F231 F232 F263 E266	L222-R228 HydrophobicContact CB-CG 3.8Å; L222-R228 WeakPolarHBondContact O-CD 3.21Å; L222-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 WeakPolarHBondContact O-CG 3.19Å; T224-R228 PolarHBondContact O-N 2.89Å; I225-R228 PolarHBondContact O-N 3.29Å; Q226-R228 VanDerWaalsContact C-N 3.34Å; Q226-R228 PolarHBondContact O-N 3.46Å; R228-F231 PolarHBondContact O-N 2.94Å; R228-F232 WeakPolarHBondContact O-CB 3.15Å; R228-F232 PolarHBondContact O-N 2.82Å; R228-F263 HydrophobicContact CB-CE2 4.41Å; R228-E266 IonicContact CZ-OE1 3.72Å; R228-E266 IonicContact CZ-OE2 3.25Å; R228-E266 VanDerWaalsContact CZ-OE2 3.25Å; R228-E266 IonicContact NH1-OE1 3.99Å; R228-E266 IonicContact NH1-OE2 2.83Å; R228-E266 PolarHBondContact NH1-OE2 3.23Å; R228-E266 IonicContact NH2-OE1 2.68Å; R228-E266 PolarHBondContact NH2-OE1 2.89Å; R228-E266 IonicContact NH2-OE2 2.76Å; R228-E266 PolarHBondContact NH2-OE2 3.23Å
229	N	98.2	Very high	97.5	Very high	71 Å²	71	64 Å²	64	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176.7	-174.3	50.3	0	0	0	111.8	I225 Q226 F231 F232 L233	I225-N229 WeakPolarHBondContact O-CB 3.42Å; I225-N229 PolarHBondContact O-N 3.3Å; Q226-N229 PolarHBondContact O-N 3.14Å; N229-F231 VanDerWaalsContact C-N 3.33Å; N229-F231 PolarHBondContact O-N 3.19Å; N229-F232 PolarHBondContact O-N 3.02Å; N229-L233 WeakPolarHBondContact O-CB 3.37Å; N229-L233 VanDerWaalsContact O-CG 3.26Å; N229-L233 WeakPolarHBondContact O-CG 3.31Å; N229-L233 PolarHBondContact O-N 2.9Å
230	N	98	Very high	97.5	Very high	62 Å²	62	64.5 Å²	64.5	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-47	175.9	-71.2	-15.6	0	0	0	110.9	Y219 Q226 D227 L233 S234	Y219-N230 HydrophobicContact CD1-CB 4.25Å; Y219-N230 HydrophobicContact CE1-CB 4.23Å; Q226-N230 PolarHBondContact NE2-OD1 3.13Å; Q226-N230 WeakPolarHBondContact O-CB 3.35Å; Q226-N230 PolarHBondContact O-N 3.37Å; Q226-N230 PolarHBondContact O-ND2 2.92Å; Q226-N230 PolarHBondContact O-OD1 2.99Å; D227-N230 PolarHBondContact O-N 3.25Å; N230-L233 PolarHBondContact O-N 3.18Å; N230-S234 PolarHBondContact O-N 3.23Å; N230-S234 PolarHBondContact O-OG 2.99Å; N230-S234 VanDerWaalsContact O-OG 3.05Å
231	F	98.4	Very high	97.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-44.7	177.7	-173.9	-126.5	0	0	0	112.1	F210 L215 Y219 L222 D227 R228 N229 L233 S234 L235 L260 F263 F264	F210-F231 HydrophobicContact CE1-CZ 4.47Å; F210-F231 AromaticContact CE2-CE2 3.7Å; F210-F231 HydrophobicContact CE2-CE2 3.7Å; F210-F231 HydrophobicContact CE2-CZ 4.26Å; F210-F231 AromaticContact CZ-CE2 3.59Å; F210-F231 HydrophobicContact CZ-CE2 3.59Å; F210-F231 AromaticContact CZ-CZ 3.84Å; F210-F231 HydrophobicContact CZ-CZ 3.84Å; L215-F231 HydrophobicContact CD2-CD1 4.02Å; L215-F231 HydrophobicContact CD2-CD2 3.92Å; L215-F231 HydrophobicContact CD2-CE1 3.87Å; L215-F231 HydrophobicContact CD2-CE2 3.79Å; L215-F231 HydrophobicContact CD2-CG 4.05Å; L215-F231 HydrophobicContact CD2-CZ 3.77Å; Y219-F231 HydrophobicContact CD1-CB 3.64Å; Y219-F231 HydrophobicContact CD1-CD2 4.18Å; Y219-F231 HydrophobicContact CD1-CG 4.34Å; Y219-F231 HydrophobicContact CD2-CD2 4.03Å; Y219-F231 HydrophobicContact CE1-CB 3.92Å; Y219-F231 HydrophobicContact CE1-CD2 4.07Å; Y219-F231 AromaticContact CE2-CD2 3.91Å; Y219-F231 HydrophobicContact CE2-CD2 3.91Å; Y219-F231 HydrophobicContact CE2-CE2 4.49Å; Y219-F231 HydrophobicContact CG-CB 4.13Å; Y219-F231 HydrophobicContact CG-CD2 4.16Å; Y219-F231 HydrophobicContact CG-CG 4.45Å; Y219-F231 AromaticContact CZ-CD2 3.93Å; L222-F231 HydrophobicContact CD1-CD1 3.87Å; L222-F231 HydrophobicContact CD1-CE1 4.27Å; L222-F231 HydrophobicContact CD2-CB 3.59Å; L222-F231 HydrophobicContact CD2-CD1 3.86Å; L222-F231 HydrophobicContact CD2-CG 3.9Å; D227-F231 PolarHBondContact O-N 2.98Å; R228-F231 PolarHBondContact O-N 2.94Å; N229-F231 VanDerWaalsContact C-N 3.33Å; N229-F231 PolarHBondContact O-N 3.19Å; F231-L233 VanDerWaalsContact C-N 3.33Å; F231-L233 PolarHBondContact O-N 3.27Å; F231-S234 PolarHBondContact O-N 2.76Å; F231-L235 HydrophobicContact CD1-CD1 3.82Å; F231-L235 HydrophobicContact CD2-CD1 4.4Å; F231-L235 HydrophobicContact CD2-CG 4.36Å; F231-L235 HydrophobicContact CE1-CD1 3.47Å; F231-L235 VanDerWaalsContact CE1-CD1 3.47Å; F231-L235 HydrophobicContact CE1-CG 4.31Å; F231-L235 HydrophobicContact CE2-CD1 4.07Å; F231-L235 HydrophobicContact CE2-CD2 4.16Å; F231-L235 HydrophobicContact CE2-CG 4.02Å; F231-L235 HydrophobicContact CG-CD1 4.28Å; F231-L235 HydrophobicContact CZ-CD1 3.6Å; F231-L235 HydrophobicContact CZ-CD2 4.07Å; F231-L235 HydrophobicContact CZ-CG 4Å; F231-L235 WeakPolarHBondContact O-CG 3.36Å; F231-L235 PolarHBondContact O-N 2.82Å; F231-L260 HydrophobicContact CE1-CD1 3.75Å; F231-L260 HydrophobicContact CZ-CD1 3.64Å; F231-F263 AromaticContact CD1-CD1 3.81Å; F231-F263 HydrophobicContact CD1-CD1 3.81Å; F231-F263 HydrophobicContact CD1-CD2 4.32Å; F231-F263 AromaticContact CD1-CE1 3.57Å; F231-F263 HydrophobicContact CD1-CE1 3.57Å; F231-F263 HydrophobicContact CD1-CE2 4.07Å; F231-F263 HydrophobicContact CD1-CG 4.18Å; F231-F263 AromaticContact CD1-CZ 3.7Å; F231-F263 HydrophobicContact CD1-CZ 3.7Å; F231-F263 AromaticContact CE1-CD1 3.67Å; F231-F263 HydrophobicContact CE1-CD1 3.67Å; F231-F263 AromaticContact CE1-CE1 3.73Å; F231-F263 HydrophobicContact CE1-CE1 3.73Å; F231-F263 HydrophobicContact CE1-CG 4.26Å; F231-F263 HydrophobicContact CE1-CZ 4.33Å; F231-F264 HydrophobicContact CZ-CZ 4.47Å
232	F	98.6	Very high	97.8	Very high	31 Å²	31	59.1 Å²	59.1	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-55.9	-46.9	174.8	-174.9	-90.7	0	0	0	111.9	R228 N229 L235 K236 F263 H267 Q270 L271	R228-F232 WeakPolarHBondContact O-CB 3.15Å; R228-F232 PolarHBondContact O-N 2.82Å; N229-F232 PolarHBondContact O-N 3.02Å; F232-L235 PolarHBondContact O-N 3.42Å; F232-K236 HydrophobicContact CE1-CD 4.32Å; F232-K236 WeakPolarHBondContact O-CB 3.41Å; F232-K236 PolarHBondContact O-N 3.4Å; F232-F263 HydrophobicContact CB-CZ 3.98Å; F232-F263 HydrophobicContact CD2-CZ 4.17Å; F232-H267 AromaticContact CD2-CD2 3.54Å; F232-H267 HydrophobicContact CE2-CB 4.31Å; F232-H267 AromaticContact CE2-CD2 3.64Å; F232-Q270 HydrophobicContact CE2-CB 4.09Å; F232-Q270 HydrophobicContact CZ-CB 4.23Å; F232-L271 HydrophobicContact CD2-CD1 4.28Å; F232-L271 HydrophobicContact CD2-CD2 4.15Å; F232-L271 HydrophobicContact CD2-CG 4.31Å; F232-L271 HydrophobicContact CE1-CD2 4.45Å; F232-L271 HydrophobicContact CE2-CD1 4.29Å; F232-L271 HydrophobicContact CE2-CD2 3.82Å; F232-L271 HydrophobicContact CE2-CG 3.87Å; F232-L271 HydrophobicContact CZ-CD2 3.98Å; F232-L271 HydrophobicContact CZ-CG 4.4Å
233	L	98.1	Very high	97.9	Very high	76 Å²	76	58.6 Å²	58.6	40%	0.398	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-40.6	177.9	-70.4	173.4	0	0	0	111.8	N229 N230 F231 L235 K236 K237	N229-L233 WeakPolarHBondContact O-CB 3.37Å; N229-L233 VanDerWaalsContact O-CG 3.26Å; N229-L233 WeakPolarHBondContact O-CG 3.31Å; N229-L233 PolarHBondContact O-N 2.9Å; N230-L233 PolarHBondContact O-N 3.18Å; F231-L233 VanDerWaalsContact C-N 3.33Å; F231-L233 PolarHBondContact O-N 3.27Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-L235 PolarHBondContact O-N 2.91Å; L233-K236 PolarHBondContact O-N 3.29Å; L233-K237 WeakPolarHBondContact O-CG 3.35Å; L233-K237 PolarHBondContact O-N 3.02Å; L233-K237 VanDerWaalsContact O-N 3.14Å
234	S	97.9	Very high	98	Very high	28 Å²	28	52.6 Å²	52.6	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-41.9	173.9	-61.9	0	0	0	0	112.1	Y219 N230 F231 K237	Y219-S234 WeakPolarHBondContact OH-CB 3.23Å; Y219-S234 PolarHBondContact OH-OG 2.76Å; N230-S234 PolarHBondContact O-N 3.23Å; N230-S234 PolarHBondContact O-OG 2.99Å; N230-S234 VanDerWaalsContact O-OG 3.05Å; F231-S234 PolarHBondContact O-N 2.76Å; S234-K237 PolarHBondContact O-N 2.81Å
235	L	98.2	Very high	98.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-38.8	175.8	-68.7	169.9	0	0	0	112.3	F191 F231 F232 L233 K237 L238 L243 F263 F264 L271	F191-L235 HydrophobicContact CE2-CD2 4.48Å; F231-L235 HydrophobicContact CD1-CD1 3.82Å; F231-L235 HydrophobicContact CD2-CD1 4.4Å; F231-L235 HydrophobicContact CD2-CG 4.36Å; F231-L235 HydrophobicContact CE1-CD1 3.47Å; F231-L235 VanDerWaalsContact CE1-CD1 3.47Å; F231-L235 HydrophobicContact CE1-CG 4.31Å; F231-L235 HydrophobicContact CE2-CD1 4.07Å; F231-L235 HydrophobicContact CE2-CD2 4.16Å; F231-L235 HydrophobicContact CE2-CG 4.02Å; F231-L235 HydrophobicContact CG-CD1 4.28Å; F231-L235 HydrophobicContact CZ-CD1 3.6Å; F231-L235 HydrophobicContact CZ-CD2 4.07Å; F231-L235 HydrophobicContact CZ-CG 4Å; F231-L235 WeakPolarHBondContact O-CG 3.36Å; F231-L235 PolarHBondContact O-N 2.82Å; F232-L235 PolarHBondContact O-N 3.42Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-L235 PolarHBondContact O-N 2.91Å; L235-K237 PolarHBondContact O-N 2.93Å; L235-L238 WeakPolarHBondContact O-CB 3.37Å; L235-L238 PolarHBondContact O-N 3.19Å; L235-L243 HydrophobicContact CD2-CD2 3.59Å; L235-F263 HydrophobicContact CD1-CD1 4.36Å; L235-F263 HydrophobicContact CD1-CE1 3.58Å; L235-F263 HydrophobicContact CD1-CZ 4.36Å; L235-F264 HydrophobicContact CD1-CE1 3.67Å; L235-F264 HydrophobicContact CD1-CZ 4.08Å; L235-F264 HydrophobicContact CD2-CE1 4.33Å; L235-F264 HydrophobicContact CD2-CZ 4.25Å; L235-L271 HydrophobicContact CB-CD1 3.91Å; L235-L271 HydrophobicContact CB-CD2 4.01Å; L235-L271 HydrophobicContact CD1-CD1 3.77Å; L235-L271 HydrophobicContact CG-CD1 4.5Å
236	K	97.8	Very high	98.1	Very high	132 Å²	132	43 Å²	43	57%	0.574	22%	0.219	S	C	*	.	H	α-helix	trans	-60.4	-35.6	177.5	-172.7	176.3	-179.4	121.5	0	111.9	F232 L233 L238 D239 L271	F232-K236 HydrophobicContact CE1-CD 4.32Å; F232-K236 WeakPolarHBondContact O-CB 3.41Å; F232-K236 PolarHBondContact O-N 3.4Å; L233-K236 PolarHBondContact O-N 3.29Å; K236-L238 PolarHBondContact O-N 3.17Å; K236-D239 PolarHBondContact O-N 2.88Å; K236-D239 VanDerWaalsContact O-N 3.17Å; K236-L271 HydrophobicContact CB-CD2 4.13Å
237	K	97.1	Very high	98.2	Very high	124 Å²	124	37.8 Å²	37.8	54%	0.539	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.6	176	-69.8	171.7	-174.7	-174	0	113.5	E195 L233 S234 L235 D239	E195-K237 VanDerWaalsContact OE1-CD 3.31Å; E195-K237 WeakPolarHBondContact OE1-CD 3.46Å; E195-K237 WeakPolarHBondContact OE1-CE 3.18Å; E195-K237 IonicContact OE1-NZ 2.7Å; E195-K237 PolarHBondContact OE1-NZ 3.43Å; E195-K237 IonicContact OE2-NZ 2.86Å; E195-K237 PolarHBondContact OE2-NZ 2.82Å; L233-K237 WeakPolarHBondContact O-CG 3.35Å; L233-K237 PolarHBondContact O-N 3.02Å; L233-K237 VanDerWaalsContact O-N 3.14Å; S234-K237 PolarHBondContact O-N 2.81Å; L235-K237 PolarHBondContact O-N 2.93Å; K237-D239 PolarHBondContact O-N 3.04Å
238	L	97.6	Very high	98.2	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.12	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.7	175.9	-67.6	-174	0	0	0	113.3	F191 T205 T208 L235 K236 G240 A241 L243 V273	F191-L238 HydrophobicContact CD2-CD1 4.46Å; F191-L238 HydrophobicContact CE2-CD1 3.65Å; F191-L238 HydrophobicContact CE2-CG 4.33Å; F191-L238 HydrophobicContact CZ-CD1 4.47Å; T205-L238 HydrophobicContact CG2-CD2 4.08Å; T208-L238 HydrophobicContact CG2-CD1 3.87Å; T208-L238 HydrophobicContact CG2-CD2 4.1Å; L235-L238 WeakPolarHBondContact O-CB 3.37Å; L235-L238 PolarHBondContact O-N 3.19Å; K236-L238 PolarHBondContact O-N 3.17Å; L238-G240 PolarHBondContact O-N 2.79Å; L238-A241 HydrophobicContact CB-CB 4.2Å; L238-A241 WeakPolarHBondContact O-CB 3.37Å; L238-A241 PolarHBondContact O-N 2.83Å; L238-L243 HydrophobicContact CD1-CD1 3.97Å; L238-V273 HydrophobicContact CB-CG2 4.36Å; L238-V273 HydrophobicContact CD1-CG2 4.14Å
239	D	97	Very high	98.2	Very high	89 Å²	89	34.1 Å²	34.1	48%	0.476	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	-120.7	-176.8	-168.2	38.9	0	0	0	111.3	K236 K237 K272 V273	K236-D239 PolarHBondContact O-N 2.88Å; K236-D239 VanDerWaalsContact O-N 3.17Å; K237-D239 PolarHBondContact O-N 3.04Å; D239-K272 CarbonylContact O-C 3.1Å; D239-K272 WeakPolarHBondContact O-CB 3.38Å; D239-K272 WeakPolarHBondContact OD1-CD 3.44Å; D239-K272 IonicContact OD1-NZ 2.8Å; D239-K272 PolarHBondContact OD1-NZ 3.3Å; D239-V273 VanDerWaalsContact O-CA 3.3Å; D239-V273 WeakPolarHBondContact O-CA 3.46Å; D239-V273 PolarHBondContact O-N 3.45Å
240	G	97.9	Very high	98.1	Very high	34 Å²	34	32.1 Å²	32.1	35%	0.351	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.5	179.6	0	0	0	0	0	115.9	L238	L238-G240 PolarHBondContact O-N 2.79Å
241	A	98.8	Very high	98.1	Very high	8 Å²	8	32.1 Å²	32.1	7%	0.066	17%	0.165	C	C	.	.			trans	-66	159.9	-179.2	0	0	0	0	0	112.5	T205 N206 L238 V273 Q274	T205-A241 WeakPolarHBondContact O-CB 3.25Å; N206-A241 CarbonylContact O-C 3.48Å; N206-A241 WeakPolarHBondContact O-CA 3.5Å; N206-A241 WeakPolarHBondContact O-CB 3.23Å; L238-A241 HydrophobicContact CB-CB 4.2Å; L238-A241 WeakPolarHBondContact O-CB 3.37Å; L238-A241 PolarHBondContact O-N 2.83Å; A241-V273 WeakPolarHBondContact O-CG2 3.24Å; A241-Q274 PolarHBondContact O-N 2.93Å
242	I	98.9	Very high	97.9	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.046	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.2	174.3	-59.7	169.3	0	0	0	109.6	F114 P153 I154 N206 L207 T208 W244 Q274 A276	F114-I242 HydrophobicContact CE1-CD1 4.27Å; F114-I242 HydrophobicContact CE1-CG2 4.16Å; F114-I242 HydrophobicContact CZ-CD1 3.97Å; F114-I242 HydrophobicContact CZ-CG2 4Å; P153-I242 HydrophobicContact CB-CD1 4.06Å; I154-I242 HydrophobicContact CG2-CD1 4.29Å; N206-I242 PolarHBondContact O-N 2.95Å; L207-I242 VanDerWaalsContact CA-O 3.29Å; L207-I242 WeakPolarHBondContact CA-O 3.31Å; L207-I242 HydrophobicContact CB-CB 4.32Å; L207-I242 HydrophobicContact CD1-CB 4.23Å; L207-I242 HydrophobicContact CD1-CG2 4.11Å; L207-I242 HydrophobicContact CG-CB 4.14Å; L207-I242 HydrophobicContact CG-CG2 4.26Å; T208-I242 PolarHBondContact N-O 2.68Å; I242-W244 HydrophobicContact CG2-CB 4.46Å; I242-Q274 CarbonylContact C-O 3.44Å; I242-Q274 VanDerWaalsContact CA-O 3.31Å; I242-Q274 WeakPolarHBondContact CA-O 3.26Å; I242-Q274 HydrophobicContact CG1-CB 4.11Å; I242-A276 HydrophobicContact CG2-CB 3.72Å
243	L	98.9	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	108.3	165.5	-169.5	68.5	0	0	0	108.7	F191 T208 F210 L235 L238 I245 F264 V273 Q274 L275 A276	F191-L243 HydrophobicContact CD2-CD1 3.89Å; F191-L243 HydrophobicContact CE2-CD1 3.95Å; T208-L243 HydrophobicContact CG2-CD1 3.84Å; F210-L243 HydrophobicContact CB-CD1 3.59Å; F210-L243 HydrophobicContact CB-CG 3.96Å; F210-L243 HydrophobicContact CD2-CD1 4.05Å; F210-L243 HydrophobicContact CG-CD1 4.07Å; F210-L243 HydrophobicContact CG-CD2 4.49Å; F210-L243 HydrophobicContact CG-CG 4.43Å; L235-L243 HydrophobicContact CD2-CD2 3.59Å; L238-L243 HydrophobicContact CD1-CD1 3.97Å; L243-I245 HydrophobicContact CD2-CD1 3.97Å; L243-I245 HydrophobicContact CD2-CG1 4.24Å; L243-I245 HydrophobicContact CG-CD1 4.14Å; L243-I245 HydrophobicContact CG-CG1 3.95Å; L243-F264 HydrophobicContact CD2-CE2 4.43Å; L243-F264 HydrophobicContact CD2-CZ 3.69Å; L243-V273 HydrophobicContact CB-CG2 3.66Å; L243-Q274 PolarHBondContact N-O 3.47Å; L243-L275 HydrophobicContact CB-CD2 4.22Å; L243-L275 HydrophobicContact CD2-CD2 4.2Å; L243-A276 PolarHBondContact O-N 3.02Å
244	W	98.9	Very high	97.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.4	-173.1	-164.9	89.8	0	0	0	111	F114 L207 T208 T209 F210 I242 P246 F249 A276 P278 I281 L304 M305 L308	F114-W244 AromaticContact CD2-NE1 3.86Å; F114-W244 AromaticContact CE1-CD1 3.85Å; F114-W244 AromaticContact CE2-CD1 3.78Å; F114-W244 AromaticContact CE2-NE1 3.91Å; F114-W244 AromaticContact CZ-CD1 3.61Å; F114-W244 PolarHBondContact O-NE1 2.94Å; L207-W244 HydrophobicContact CD1-CB 4.29Å; L207-W244 HydrophobicContact CD2-CB 3.98Å; L207-W244 HydrophobicContact CG-CB 4.18Å; T208-W244 PolarHBondContact O-N 3Å; T209-W244 CarbonylContact C-O 3.54Å; T209-W244 VanDerWaalsContact CA-O 3.24Å; T209-W244 WeakPolarHBondContact CA-O 3.47Å; T209-W244 HydrophobicContact CG2-CB 4.42Å; T209-W244 HydrophobicContact CG2-CE3 3.82Å; F210-W244 PolarHBondContact N-O 3.22Å; I242-W244 HydrophobicContact CG2-CB 4.46Å; W244-P246 HydrophobicContact CE3-CB 4.36Å; W244-P246 HydrophobicContact CE3-CG 4.19Å; W244-P246 HydrophobicContact CH2-CB 4.37Å; W244-P246 HydrophobicContact CZ3-CB 3.74Å; W244-P246 HydrophobicContact CZ3-CG 3.87Å; W244-P246 WeakPolarHBondContact O-CD 3.23Å; W244-F249 HydrophobicContact CH2-CE2 4.36Å; W244-F249 HydrophobicContact CH2-CZ 4.02Å; W244-F249 HydrophobicContact CZ3-CE2 4.38Å; W244-F249 HydrophobicContact CZ3-CZ 4.45Å; W244-A276 CarbonylContact C-O 3.58Å; W244-A276 HydrophobicContact CG-CB 4.4Å; W244-P278 HydrophobicContact CD2-CG 4.1Å; W244-P278 HydrophobicContact CE3-CG 4.14Å; W244-P278 HydrophobicContact CH2-CB 3.69Å; W244-P278 HydrophobicContact CH2-CG 3.37Å; W244-P278 HydrophobicContact CZ2-CB 3.3Å; W244-P278 HydrophobicContact CZ2-CG 3.32Å; W244-P278 HydrophobicContact CZ3-CG 3.79Å; W244-I281 HydrophobicContact CH2-CD1 4.02Å; W244-I281 HydrophobicContact CZ2-CD1 3.96Å; W244-L304 HydrophobicContact CH2-CD2 3.7Å; W244-L304 HydrophobicContact CH2-CG 4.46Å; W244-L304 HydrophobicContact CZ3-CD2 3.99Å; W244-M305 HydrophobicContact CD2-CE 4.48Å; W244-M305 HydrophobicContact CE3-CE 4.19Å; W244-M305 HydrophobicContact CZ3-CE 4.22Å; W244-L308 HydrophobicContact CZ2-CD1 3.86Å
245	I	98.9	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.			trans	-113	94	-161.9	-54.4	160.5	0	0	0	111.5	F210 P212 L243 A247 L260 F264 L275 A276 W277 P278	F210-I245 HydrophobicContact CB-CG1 4.13Å; F210-I245 HydrophobicContact CD1-CG1 4.48Å; F210-I245 WeakPolarHBondContact O-CA 3.17Å; P212-I245 HydrophobicContact CG-CG2 3.89Å; L243-I245 HydrophobicContact CD2-CD1 3.97Å; L243-I245 HydrophobicContact CD2-CG1 4.24Å; L243-I245 HydrophobicContact CG-CD1 4.14Å; L243-I245 HydrophobicContact CG-CG1 3.95Å; I245-A247 VanDerWaalsContact C-N 3.29Å; I245-A247 PolarHBondContact O-N 2.82Å; I245-L260 HydrophobicContact CD1-CD2 4.31Å; I245-L260 HydrophobicContact CG2-CD2 3.9Å; I245-F264 HydrophobicContact CD1-CE2 4.01Å; I245-L275 HydrophobicContact CD1-CD2 4.19Å; I245-A276 PolarHBondContact N-O 3.45Å; I245-W277 HydrophobicContact CB-CD2 4.12Å; I245-W277 HydrophobicContact CB-CE3 3.67Å; I245-W277 HydrophobicContact CB-CH2 4.25Å; I245-W277 HydrophobicContact CB-CZ3 3.75Å; I245-W277 HydrophobicContact CD1-CD2 4.22Å; I245-W277 HydrophobicContact CD1-CE3 4.26Å; I245-W277 HydrophobicContact CD1-CH2 3.52Å; I245-W277 HydrophobicContact CD1-CZ2 3.43Å; I245-W277 VanDerWaalsContact CD1-CZ2 3.43Å; I245-W277 HydrophobicContact CD1-CZ3 3.95Å; I245-W277 HydrophobicContact CG1-CH2 4.47Å; I245-W277 HydrophobicContact CG1-CZ3 4.45Å; I245-W277 HydrophobicContact CG2-CE3 3.63Å; I245-W277 HydrophobicContact CG2-CH2 3.9Å; I245-W277 HydrophobicContact CG2-CZ3 3.27Å; I245-P278 WeakPolarHBondContact O-CD 3.25Å
246	P	98.4	Very high	97.4	Very high	11 Å²	11	36 Å²	36	7%	0.071	20%	0.196	C	C	.	.			trans	-78.2	72.8	179.5	32.3	-36.6	0	0	0	113.1	F210 W244 F248 F249 P278	F210-P246 WeakPolarHBondContact O-CD 3.37Å; W244-P246 HydrophobicContact CE3-CB 4.36Å; W244-P246 HydrophobicContact CE3-CG 4.19Å; W244-P246 HydrophobicContact CH2-CB 4.37Å; W244-P246 HydrophobicContact CZ3-CB 3.74Å; W244-P246 HydrophobicContact CZ3-CG 3.87Å; W244-P246 WeakPolarHBondContact O-CD 3.23Å; P246-F248 VanDerWaalsContact C-N 3.27Å; P246-F248 PolarHBondContact O-N 3.35Å; P246-F249 HydrophobicContact CB-CD1 4.2Å; P246-F249 HydrophobicContact CB-CD2 3.49Å; P246-F249 VanDerWaalsContact CB-CD2 3.49Å; P246-F249 HydrophobicContact CB-CE1 4.18Å; P246-F249 HydrophobicContact CB-CE2 3.47Å; P246-F249 VanDerWaalsContact CB-CE2 3.47Å; P246-F249 HydrophobicContact CB-CG 3.87Å; P246-F249 HydrophobicContact CB-CZ 3.83Å; P246-F249 HydrophobicContact CG-CD2 4.19Å; P246-F249 HydrophobicContact CG-CE2 4.25Å; P246-P278 HydrophobicContact CB-CG 3.89Å
247	A	98.3	Very high	97.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.6	-178.5	0	0	0	0	0	114	Y129 P212 I245 T257 W277	Y129-A247 WeakPolarHBondContact CE1-O 3.15Å; P212-A247 HydrophobicContact CG-CB 4.23Å; I245-A247 VanDerWaalsContact C-N 3.29Å; I245-A247 PolarHBondContact O-N 2.82Å; A247-T257 HydrophobicContact CB-CG2 3.92Å; A247-W277 HydrophobicContact CB-CE3 4.2Å; A247-W277 HydrophobicContact CB-CZ3 4.22Å
248	F	98.6	Very high	97.5	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	21.1	-174.2	-52.6	-63.4	0	0	0	113.8	L116 M127 Y129 D130 F138 I140 F144 P246 P278	L116-F248 HydrophobicContact CD1-CD2 4.18Å; L116-F248 HydrophobicContact CD1-CE2 3.64Å; M127-F248 HydrophobicContact CB-CD1 3.57Å; M127-F248 HydrophobicContact CB-CE1 3.59Å; M127-F248 HydrophobicContact CB-CG 4.29Å; M127-F248 HydrophobicContact CB-CZ 4.3Å; M127-F248 HydrophobicContact CE-CD2 4.17Å; M127-F248 HydrophobicContact CE-CE2 4.3Å; M127-F248 HydrophobicContact CE-CG 4.36Å; M127-F248 HydrophobicContact CG-CD1 4.08Å; M127-F248 HydrophobicContact CG-CE1 3.67Å; M127-F248 HydrophobicContact CG-CE2 4.48Å; M127-F248 HydrophobicContact CG-CZ 3.9Å; Y129-F248 VanDerWaalsContact CA-O 3.23Å; Y129-F248 WeakPolarHBondContact CA-O 3.48Å; D130-F248 PolarHBondContact N-O 3.16Å; F138-F248 HydrophobicContact CB-CE1 4.15Å; F138-F248 AromaticContact CD1-CE1 3.76Å; F138-F248 HydrophobicContact CD1-CE1 3.76Å; F138-F248 HydrophobicContact CD1-CZ 4.36Å; F138-F248 HydrophobicContact CE1-CE1 4.42Å; F138-F248 HydrophobicContact CG-CE1 4.08Å; I140-F248 HydrophobicContact CD1-CE1 4.36Å; I140-F248 HydrophobicContact CD1-CZ 3.78Å; F144-F248 HydrophobicContact CE1-CE2 4.21Å; F144-F248 AromaticContact CE1-CZ 3.98Å; F144-F248 HydrophobicContact CE1-CZ 3.98Å; F144-F248 HydrophobicContact CE2-CE2 4.37Å; F144-F248 AromaticContact CE2-CZ 3.92Å; F144-F248 HydrophobicContact CE2-CZ 3.92Å; F144-F248 AromaticContact CZ-CE2 3.6Å; F144-F248 HydrophobicContact CZ-CE2 3.6Å; F144-F248 AromaticContact CZ-CZ 3.45Å; F144-F248 HydrophobicContact CZ-CZ 3.45Å; F144-F248 VanDerWaalsContact CZ-CZ 3.45Å; P246-F248 VanDerWaalsContact C-N 3.27Å; P246-F248 PolarHBondContact O-N 3.35Å; F248-P278 WeakPolarHBondContact CD2-O 3.33Å
249	F	97.9	Very high	97.5	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.057	18%	0.175	C	C	.	.	S	Bend	trans	-90.3	-40.4	175.3	-72	3.2	0	0	0	112.2	D130 Y131 W244 P246 I281 M282 L304	D130-F249 HydrophobicContact CB-CD1 4.43Å; Y131-F249 WeakPolarHBondContact CB-O 3.35Å; Y131-F249 HydrophobicContact CD2-CB 4.06Å; Y131-F249 HydrophobicContact CD2-CG 4.5Å; Y131-F249 HydrophobicContact CE2-CB 4.4Å; Y131-F249 HydrophobicContact CE2-CD2 4.38Å; Y131-F249 HydrophobicContact CE2-CG 4.37Å; Y131-F249 PolarHBondContact N-O 3.38Å; W244-F249 HydrophobicContact CH2-CE2 4.36Å; W244-F249 HydrophobicContact CH2-CZ 4.02Å; W244-F249 HydrophobicContact CZ3-CE2 4.38Å; W244-F249 HydrophobicContact CZ3-CZ 4.45Å; P246-F249 HydrophobicContact CB-CD1 4.2Å; P246-F249 HydrophobicContact CB-CD2 3.49Å; P246-F249 VanDerWaalsContact CB-CD2 3.49Å; P246-F249 HydrophobicContact CB-CE1 4.18Å; P246-F249 HydrophobicContact CB-CE2 3.47Å; P246-F249 VanDerWaalsContact CB-CE2 3.47Å; P246-F249 HydrophobicContact CB-CG 3.87Å; P246-F249 HydrophobicContact CB-CZ 3.83Å; P246-F249 HydrophobicContact CG-CD2 4.19Å; P246-F249 HydrophobicContact CG-CE2 4.25Å; F249-I281 HydrophobicContact CE1-CG1 3.97Å; F249-I281 HydrophobicContact CZ-CD1 4.22Å; F249-I281 HydrophobicContact CZ-CG1 3.94Å; F249-M282 HydrophobicContact CD1-CG 4.26Å; F249-M282 HydrophobicContact CE1-CG 3.84Å; F249-M282 HydrophobicContact CE1-SD 4.3Å; F249-M282 HydrophobicContact CE2-CG 4.2Å; F249-M282 HydrophobicContact CE2-SD 3.96Å; F249-M282 HydrophobicContact CZ-CG 3.81Å; F249-M282 HydrophobicContact CZ-SD 3.67Å; F249-L304 HydrophobicContact CE2-CD2 3.94Å; F249-L304 HydrophobicContact CZ-CD2 4.19Å
250	F	96.5	Very high	97.6	Very high	30 Å²	30	26.9 Å²	26.9	13%	0.132	15%	0.153	C	C	.	.			trans	-130.2	131.1	-175.8	-52.5	-73.1	0	0	0	111.3	Y129 Y131 T252 S253 R298	Y129-F250 VanDerWaalsContact CD1-O 3.25Å; Y129-F250 WeakPolarHBondContact CD1-O 3.32Å; Y129-F250 VanDerWaalsContact CE1-O 3.25Å; Y129-F250 WeakPolarHBondContact CE1-O 3.22Å; Y131-F250 HydrophobicContact CD2-CD1 4.35Å; Y131-F250 AromaticContact CD2-CE1 3.48Å; Y131-F250 HydrophobicContact CD2-CE1 3.48Å; Y131-F250 VanDerWaalsContact CD2-CE1 3.48Å; Y131-F250 HydrophobicContact CD2-CE2 4.41Å; Y131-F250 AromaticContact CD2-CZ 3.48Å; Y131-F250 HydrophobicContact CD2-CZ 3.48Å; Y131-F250 VanDerWaalsContact CD2-CZ 3.48Å; Y131-F250 HydrophobicContact CE2-CE1 4.47Å; Y131-F250 HydrophobicContact CE2-CZ 4.1Å; Y131-F250 AromaticContact CG-CE1 3.89Å; Y131-F250 HydrophobicContact CG-CE1 3.89Å; Y131-F250 HydrophobicContact CG-CZ 4.34Å; F250-T252 PolarHBondContact O-N 3.39Å; F250-T252 VanDerWaalsContact O-N 3.14Å; F250-S253 VanDerWaalsContact O-CB 3.3Å; F250-S253 WeakPolarHBondContact O-CB 3.43Å; F250-S253 PolarHBondContact O-N 3.49Å; F250-S253 PolarHBondContact O-OG 2.89Å; F250-R298 VanDerWaalsContact CE1-NH1 3.34Å
251	H	97	Very high	97.6	Very high	61 Å²	61	25.4 Å²	25.4	28%	0.282	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-61.7	-23.3	178	72.8	-76.5	0	0	0	113.5	Y129 S132 Y136 S253 A254	Y129-H251 HydrophobicContact CD1-CB 4.49Å; Y129-H251 HydrophobicContact CD2-CB 3.83Å; Y129-H251 HydrophobicContact CE2-CB 3.98Å; Y129-H251 HydrophobicContact CG-CB 4.09Å; S132-H251 WeakPolarHBondContact CB-ND1 3.42Å; S132-H251 PolarHBondContact OG-N 2.69Å; S132-H251 VanDerWaalsContact OG-N 3.12Å; S132-H251 PolarHBondContact OG-ND1 3Å; Y136-H251 HydrophobicContact CD1-CB 4.11Å; Y136-H251 AromaticContact CD1-CD2 3.83Å; Y136-H251 HydrophobicContact CD2-CB 3.73Å; Y136-H251 AromaticContact CD2-CD2 3.88Å; Y136-H251 AromaticContact CD2-CG 3.53Å; Y136-H251 AromaticContact CD2-ND1 3.87Å; Y136-H251 AromaticContact CE1-CD2 3.67Å; Y136-H251 HydrophobicContact CE2-CB 4.4Å; Y136-H251 AromaticContact CE2-CD2 3.68Å; Y136-H251 AromaticContact CE2-CE1 3.84Å; Y136-H251 AromaticContact CE2-CG 3.71Å; Y136-H251 AromaticContact CE2-ND1 3.81Å; Y136-H251 AromaticContact CE2-NE2 3.76Å; Y136-H251 HydrophobicContact CG-CB 3.54Å; Y136-H251 AromaticContact CG-CD2 3.93Å; Y136-H251 AromaticContact CG-CG 3.71Å; Y136-H251 AromaticContact CZ-CD2 3.57Å; Y136-H251 AromaticContact CZ-NE2 3.63Å; H251-S253 PolarHBondContact O-N 3.08Å; H251-A254 WeakPolarHBondContact O-CB 3.22Å; H251-A254 PolarHBondContact O-N 3.02Å
252	T	95.2	Very high	97.6	Very high	87 Å²	87	29.1 Å²	29.1	53%	0.534	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-62.8	-18.6	174	52.4	0	0	0	0	112.8	F250 A254	F250-T252 PolarHBondContact O-N 3.39Å; F250-T252 VanDerWaalsContact O-N 3.14Å; T252-A254 VanDerWaalsContact C-N 3.28Å; T252-A254 PolarHBondContact O-N 3.39Å
253	S	94.4	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-76.1	-11.2	174.3	-57.8	0	0	0	0	113.4	N211 F250 H251 T255 T257	N211-S253 PolarHBondContact OD1-OG 2.86Å; F250-S253 VanDerWaalsContact O-CB 3.3Å; F250-S253 WeakPolarHBondContact O-CB 3.43Å; F250-S253 PolarHBondContact O-N 3.49Å; F250-S253 PolarHBondContact O-OG 2.89Å; H251-S253 PolarHBondContact O-N 3.08Å; S253-T255 PolarHBondContact O-N 3.42Å; S253-T257 WeakPolarHBondContact O-CB 3.31Å; S253-T257 PolarHBondContact O-N 3.23Å; S253-T257 PolarHBondContact O-OG1 3.19Å
254	A	95.5	Very high	97.6	Very high	24 Å²	24	29.3 Å²	29.3	20%	0.198	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-52.4	-167.6	0	0	0	0	0	114.5	Y129 H251 T252	Y129-A254 WeakPolarHBondContact OH-CB 3.23Å; H251-A254 WeakPolarHBondContact O-CB 3.22Å; H251-A254 PolarHBondContact O-N 3.02Å; T252-A254 VanDerWaalsContact C-N 3.28Å; T252-A254 PolarHBondContact O-N 3.39Å
255	T	95.9	Very high	97.6	Very high	105 Å²	105	31.1 Å²	31.1	64%	0.644	17%	0.167	S	C	*	.	H	α-helix	trans	-70.1	-49.9	-175.3	47.9	0	0	0	0	110.7	S253 T257 R258	S253-T255 PolarHBondContact O-N 3.42Å; T255-T257 VanDerWaalsContact C-N 3.26Å; T255-T257 PolarHBondContact O-N 3.1Å; T255-R258 WeakPolarHBondContact O-CB 3.47Å; T255-R258 PolarHBondContact O-N 3.43Å
256	V	96.9	Very high	97.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-28.8	-178.3	6.2	0	0	0	0	112	P212 L215 R258 T259 L260	P212-V256 HydrophobicContact CB-CG2 3.45Å; P212-V256 VanDerWaalsContact CB-CG2 3.45Å; P212-V256 WeakPolarHBondContact O-CG2 3.39Å; L215-V256 HydrophobicContact CB-CG2 4.36Å; V256-R258 VanDerWaalsContact C-N 3.25Å; V256-R258 PolarHBondContact O-N 2.82Å; V256-T259 WeakPolarHBondContact O-CB 3.31Å; V256-T259 PolarHBondContact O-N 2.85Å; V256-L260 WeakPolarHBondContact O-CB 3.49Å; V256-L260 PolarHBondContact O-N 3.36Å
257	T	98.3	Very high	97.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-34.5	172	-63.9	0	0	0	0	111.5	F138 F144 A247 S253 T255 L260 V261 W277	F138-T257 HydrophobicContact CE2-CG2 4.03Å; F138-T257 HydrophobicContact CZ-CG2 3.95Å; F144-T257 HydrophobicContact CE2-CG2 4.36Å; A247-T257 HydrophobicContact CB-CG2 3.92Å; S253-T257 WeakPolarHBondContact O-CB 3.31Å; S253-T257 PolarHBondContact O-N 3.23Å; S253-T257 PolarHBondContact O-OG1 3.19Å; T255-T257 VanDerWaalsContact C-N 3.26Å; T255-T257 PolarHBondContact O-N 3.1Å; T257-L260 PolarHBondContact O-N 3.43Å; T257-V261 HydrophobicContact CG2-CG2 4.29Å; T257-V261 WeakPolarHBondContact O-CB 3.47Å; T257-V261 WeakPolarHBondContact O-CG2 3.24Å; T257-V261 PolarHBondContact O-N 3.13Å; T257-W277 HydrophobicContact CG2-CZ3 4.45Å
258	R	98.1	Very high	97.5	Very high	124 Å²	124	43.6 Å²	43.6	47%	0.468	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-47.6	176.5	-59.3	-179.1	-177.3	-81.1	-0.9	110.8	F138 T255 V256 L260 V261 D262	F138-R258 HydrophobicContact CE2-CG 4.08Å; F138-R258 HydrophobicContact CZ-CG 4.48Å; T255-R258 WeakPolarHBondContact O-CB 3.47Å; T255-R258 PolarHBondContact O-N 3.43Å; V256-R258 VanDerWaalsContact C-N 3.25Å; V256-R258 PolarHBondContact O-N 2.82Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.89Å; R258-V261 WeakPolarHBondContact O-CB 3.18Å; R258-V261 PolarHBondContact O-N 3.12Å; R258-V261 VanDerWaalsContact O-N 3.16Å; R258-D262 PolarHBondContact O-N 3.14Å
259	T	98.1	Very high	97.3	Very high	52 Å²	52	47.3 Å²	47.3	32%	0.319	26%	0.257	S	S	.	.	H	α-helix	trans	-55.9	-44.2	174.2	-51.5	0	0	0	0	111.9	N221 L222 V256 D262 F263	N221-T259 WeakPolarHBondContact O-CG2 3.39Å; L222-T259 HydrophobicContact CB-CG2 4.2Å; L222-T259 HydrophobicContact CD1-CG2 4.25Å; L222-T259 HydrophobicContact CG-CG2 4.43Å; V256-T259 WeakPolarHBondContact O-CB 3.31Å; V256-T259 PolarHBondContact O-N 2.85Å; T259-D262 PolarHBondContact O-N 2.89Å; T259-F263 WeakPolarHBondContact O-CB 3.18Å; T259-F263 PolarHBondContact O-N 3.27Å
260	L	98.4	Very high	97.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-42.9	178.1	-175.2	63	0	0	0	112.1	F210 P212 L215 F231 I245 V256 T257 R258 F263 F264 W277	F210-L260 HydrophobicContact CD1-CD2 4.12Å; F210-L260 HydrophobicContact CE1-CD1 4.1Å; F210-L260 HydrophobicContact CE1-CD2 3.93Å; P212-L260 HydrophobicContact CB-CD2 4.47Å; P212-L260 HydrophobicContact CG-CD2 4.47Å; L215-L260 HydrophobicContact CD1-CB 3.77Å; L215-L260 HydrophobicContact CD1-CD1 3.83Å; L215-L260 HydrophobicContact CD1-CG 4.35Å; L215-L260 HydrophobicContact CG-CD1 4.31Å; F231-L260 HydrophobicContact CE1-CD1 3.75Å; F231-L260 HydrophobicContact CZ-CD1 3.64Å; I245-L260 HydrophobicContact CD1-CD2 4.31Å; I245-L260 HydrophobicContact CG2-CD2 3.9Å; V256-L260 WeakPolarHBondContact O-CB 3.49Å; V256-L260 PolarHBondContact O-N 3.36Å; T257-L260 PolarHBondContact O-N 3.43Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.89Å; L260-F263 PolarHBondContact O-N 3.08Å; L260-F264 HydrophobicContact CD1-CD2 4.02Å; L260-F264 HydrophobicContact CD1-CE2 3.39Å; L260-F264 HydrophobicContact CD1-CZ 4.03Å; L260-F264 HydrophobicContact CD2-CE2 4.27Å; L260-F264 HydrophobicContact CG-CD2 3.97Å; L260-F264 HydrophobicContact CG-CE2 3.62Å; L260-F264 WeakPolarHBondContact O-CD2 3.46Å; L260-F264 PolarHBondContact O-N 3.44Å; L260-F264 VanDerWaalsContact O-N 3.13Å; L260-W277 HydrophobicContact CD2-CH2 3.92Å; L260-W277 HydrophobicContact CD2-CZ3 4.33Å; L260-W277 HydrophobicContact CG-CH2 4.28Å
261	V	98.7	Very high	97.4	Very high	3 Å²	3	52 Å²	52	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-48.3	176.5	166.1	0	0	0	0	110.8	N143 F144 L147 T257 R258 F263 F264 V265 W277	N143-V261 HydrophobicContact CB-CG1 3.68Å; F144-V261 HydrophobicContact CB-CG1 4.5Å; F144-V261 HydrophobicContact CB-CG2 4.36Å; F144-V261 HydrophobicContact CD2-CG2 3.68Å; F144-V261 HydrophobicContact CE2-CG2 4.49Å; F144-V261 HydrophobicContact CG-CG2 4.47Å; L147-V261 HydrophobicContact CD1-CB 4.22Å; L147-V261 HydrophobicContact CD1-CG1 3.96Å; L147-V261 HydrophobicContact CD1-CG2 4.25Å; T257-V261 HydrophobicContact CG2-CG2 4.29Å; T257-V261 WeakPolarHBondContact O-CB 3.47Å; T257-V261 WeakPolarHBondContact O-CG2 3.24Å; T257-V261 PolarHBondContact O-N 3.13Å; R258-V261 WeakPolarHBondContact O-CB 3.18Å; R258-V261 PolarHBondContact O-N 3.12Å; R258-V261 VanDerWaalsContact O-N 3.16Å; V261-F263 VanDerWaalsContact C-N 3.3Å; V261-F263 PolarHBondContact O-N 3.01Å; V261-F264 PolarHBondContact O-N 3.32Å; V261-V265 HydrophobicContact CG1-CG2 4.43Å; V261-V265 WeakPolarHBondContact O-CG2 3.25Å; V261-V265 PolarHBondContact O-N 3.32Å; V261-W277 HydrophobicContact CG2-CH2 4.39Å
262	D	98.6	Very high	97.5	Very high	85 Å²	85	56.2 Å²	56.2	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-41.3	-178.9	-68.3	-21.3	0	0	0	110.9	R258 T259 F264 V265 E266	R258-D262 PolarHBondContact O-N 3.14Å; T259-D262 PolarHBondContact O-N 2.89Å; D262-F264 PolarHBondContact O-N 3.05Å; D262-V265 PolarHBondContact O-N 3.14Å; D262-E266 VanDerWaalsContact O-CB 3.32Å; D262-E266 WeakPolarHBondContact O-CB 3.28Å; D262-E266 PolarHBondContact O-N 3.06Å
263	F	98.7	Very high	97.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-46.8	174	180	-88.2	0	0	0	112.5	L222 R228 F231 F232 L235 T259 L260 V261 E266 H267 L271	L222-F263 HydrophobicContact CD1-CB 3.86Å; L222-F263 HydrophobicContact CD1-CD2 3.71Å; L222-F263 HydrophobicContact CD1-CE2 4.47Å; L222-F263 HydrophobicContact CD1-CG 3.84Å; R228-F263 HydrophobicContact CB-CE2 4.41Å; F231-F263 AromaticContact CD1-CD1 3.81Å; F231-F263 HydrophobicContact CD1-CD1 3.81Å; F231-F263 HydrophobicContact CD1-CD2 4.32Å; F231-F263 AromaticContact CD1-CE1 3.57Å; F231-F263 HydrophobicContact CD1-CE1 3.57Å; F231-F263 HydrophobicContact CD1-CE2 4.07Å; F231-F263 HydrophobicContact CD1-CG 4.18Å; F231-F263 AromaticContact CD1-CZ 3.7Å; F231-F263 HydrophobicContact CD1-CZ 3.7Å; F231-F263 AromaticContact CE1-CD1 3.67Å; F231-F263 HydrophobicContact CE1-CD1 3.67Å; F231-F263 AromaticContact CE1-CE1 3.73Å; F231-F263 HydrophobicContact CE1-CE1 3.73Å; F231-F263 HydrophobicContact CE1-CG 4.26Å; F231-F263 HydrophobicContact CE1-CZ 4.33Å; F232-F263 HydrophobicContact CB-CZ 3.98Å; F232-F263 HydrophobicContact CD2-CZ 4.17Å; L235-F263 HydrophobicContact CD1-CD1 4.36Å; L235-F263 HydrophobicContact CD1-CE1 3.58Å; L235-F263 HydrophobicContact CD1-CZ 4.36Å; T259-F263 WeakPolarHBondContact O-CB 3.18Å; T259-F263 PolarHBondContact O-N 3.27Å; L260-F263 PolarHBondContact O-N 3.08Å; V261-F263 VanDerWaalsContact C-N 3.3Å; V261-F263 PolarHBondContact O-N 3.01Å; F263-E266 PolarHBondContact O-N 2.97Å; F263-H267 AromaticContact CD2-CE1 3.66Å; F263-H267 AromaticContact CD2-ND1 3.76Å; F263-H267 AromaticContact CE2-CE1 3.42Å; F263-H267 VanDerWaalsContact CE2-CE1 3.42Å; F263-H267 WeakPolarHBondContact CE2-CE1 3.35Å; F263-H267 AromaticContact CE2-ND1 3.69Å; F263-H267 AromaticContact CG-ND1 4Å; F263-H267 AromaticContact CZ-CE1 3.89Å; F263-H267 AromaticContact CZ-ND1 3.83Å; F263-H267 PolarHBondContact O-N 3Å; F263-H267 PolarHBondContact O-ND1 3.17Å; F263-L271 HydrophobicContact CE1-CD1 4.46Å
264	F	98.7	Very high	97.8	Very high	12 Å²	12	57.3 Å²	57.3	5%	0.053	30%	0.298	C	S	.	.	H	α-helix	trans	-70.5	-31.9	179.8	-76.7	-55.4	0	0	0	113.5	L147 F231 L235 L243 I245 L260 V261 D262 R268 L271 V273 L275 W277	L147-F264 HydrophobicContact CD1-CB 3.65Å; L147-F264 HydrophobicContact CD1-CD2 4.47Å; L147-F264 HydrophobicContact CD2-CB 3.82Å; L147-F264 HydrophobicContact CG-CB 4.39Å; F231-F264 HydrophobicContact CZ-CZ 4.47Å; L235-F264 HydrophobicContact CD1-CE1 3.67Å; L235-F264 HydrophobicContact CD1-CZ 4.08Å; L235-F264 HydrophobicContact CD2-CE1 4.33Å; L235-F264 HydrophobicContact CD2-CZ 4.25Å; L243-F264 HydrophobicContact CD2-CE2 4.43Å; L243-F264 HydrophobicContact CD2-CZ 3.69Å; I245-F264 HydrophobicContact CD1-CE2 4.01Å; L260-F264 HydrophobicContact CD1-CD2 4.02Å; L260-F264 HydrophobicContact CD1-CE2 3.39Å; L260-F264 HydrophobicContact CD1-CZ 4.03Å; L260-F264 HydrophobicContact CD2-CE2 4.27Å; L260-F264 HydrophobicContact CG-CD2 3.97Å; L260-F264 HydrophobicContact CG-CE2 3.62Å; L260-F264 WeakPolarHBondContact O-CD2 3.46Å; L260-F264 PolarHBondContact O-N 3.44Å; L260-F264 VanDerWaalsContact O-N 3.13Å; V261-F264 PolarHBondContact O-N 3.32Å; D262-F264 PolarHBondContact O-N 3.05Å; F264-R268 PolarHBondContact O-N 3.29Å; F264-L271 HydrophobicContact CE1-CD1 4.48Å; F264-V273 HydrophobicContact CE1-CG1 4.41Å; F264-L275 HydrophobicContact CB-CD1 4.21Å; F264-L275 HydrophobicContact CD1-CD1 4.06Å; F264-L275 HydrophobicContact CD1-CD2 4.28Å; F264-L275 HydrophobicContact CD2-CD1 3.97Å; F264-L275 HydrophobicContact CD2-CD2 4.47Å; F264-L275 HydrophobicContact CE1-CD1 4.43Å; F264-L275 HydrophobicContact CE1-CD2 3.82Å; F264-L275 HydrophobicContact CE2-CD1 4.33Å; F264-L275 HydrophobicContact CE2-CD2 4.01Å; F264-L275 HydrophobicContact CG-CD1 3.84Å; F264-L275 HydrophobicContact CZ-CD2 3.7Å; F264-W277 HydrophobicContact CD2-CZ2 4.29Å; F264-W277 HydrophobicContact CE2-CZ2 4.45Å
265	V	98.6	Very high	98	Very high	39 Å²	39	57.4 Å²	57.4	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-44.7	173.5	170	0	0	0	0	110.5	N143 L147 V261 D262 H267 R268	N143-V265 HydrophobicContact CB-CG2 3.9Å; L147-V265 HydrophobicContact CD1-CG2 4.22Å; L147-V265 HydrophobicContact CD2-CG2 4.1Å; L147-V265 HydrophobicContact CG-CG2 4.15Å; V261-V265 HydrophobicContact CG1-CG2 4.43Å; V261-V265 WeakPolarHBondContact O-CG2 3.25Å; V261-V265 PolarHBondContact O-N 3.32Å; D262-V265 PolarHBondContact O-N 3.14Å; V265-H267 VanDerWaalsContact C-N 3.31Å; V265-H267 PolarHBondContact O-N 3.47Å; V265-R268 WeakPolarHBondContact O-CB 3.1Å; V265-R268 PolarHBondContact O-N 3.46Å
266	E	98.4	Very high	98.1	Very high	106 Å²	106	52.4 Å²	52.4	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-40.1	177.3	-176.5	-176	-177.4	0	0	112.4	R228 D262 F263	R228-E266 IonicContact CZ-OE1 3.72Å; R228-E266 IonicContact CZ-OE2 3.25Å; R228-E266 VanDerWaalsContact CZ-OE2 3.25Å; R228-E266 IonicContact NH1-OE1 3.99Å; R228-E266 IonicContact NH1-OE2 2.83Å; R228-E266 PolarHBondContact NH1-OE2 3.23Å; R228-E266 IonicContact NH2-OE1 2.68Å; R228-E266 PolarHBondContact NH2-OE1 2.89Å; R228-E266 IonicContact NH2-OE2 2.76Å; R228-E266 PolarHBondContact NH2-OE2 3.23Å; D262-E266 VanDerWaalsContact O-CB 3.32Å; D262-E266 WeakPolarHBondContact O-CB 3.28Å; D262-E266 PolarHBondContact O-N 3.06Å; F263-E266 PolarHBondContact O-N 2.97Å
267	H	98.3	Very high	98.2	Very high	26 Å²	26	52.3 Å²	52.3	12%	0.12	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	22	-177.8	-59.2	81.3	0	0	0	113.1	F232 F263 V265 G269 Q270	F232-H267 AromaticContact CD2-CD2 3.54Å; F232-H267 HydrophobicContact CE2-CB 4.31Å; F232-H267 AromaticContact CE2-CD2 3.64Å; F263-H267 AromaticContact CD2-CE1 3.66Å; F263-H267 AromaticContact CD2-ND1 3.76Å; F263-H267 AromaticContact CE2-CE1 3.42Å; F263-H267 VanDerWaalsContact CE2-CE1 3.42Å; F263-H267 WeakPolarHBondContact CE2-CE1 3.35Å; F263-H267 AromaticContact CE2-ND1 3.69Å; F263-H267 AromaticContact CG-ND1 4Å; F263-H267 AromaticContact CZ-CE1 3.89Å; F263-H267 AromaticContact CZ-ND1 3.83Å; F263-H267 PolarHBondContact O-N 3Å; F263-H267 PolarHBondContact O-ND1 3.17Å; V265-H267 VanDerWaalsContact C-N 3.31Å; V265-H267 PolarHBondContact O-N 3.47Å; H267-G269 PolarHBondContact O-N 3.42Å; H267-Q270 HydrophobicContact CB-CB 4.48Å; H267-Q270 PolarHBondContact CD2-OE1 2.67Å; H267-Q270 WeakPolarHBondContact O-CB 3.5Å; H267-Q270 PolarHBondContact O-N 3.05Å
268	R	96.3	Very high	98.2	Very high	142 Å²	142	52.3 Å²	52.3	54%	0.536	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	129	-179.2	176.9	174.5	-73.4	172.7	1.9	110.7	S146 F264 V265 Q270	S146-R268 VanDerWaalsContact CB-NH2 3.25Å; S146-R268 PolarHBondContact O-NH2 3.42Å; S146-R268 PolarHBondContact OG-NH2 2.72Å; F264-R268 PolarHBondContact O-N 3.29Å; V265-R268 WeakPolarHBondContact O-CB 3.1Å; V265-R268 PolarHBondContact O-N 3.46Å; R268-Q270 VanDerWaalsContact C-N 3.25Å; R268-Q270 PolarHBondContact O-N 3.4Å
269	G	95.6	Very high	98.3	Very high	80 Å²	80	46.6 Å²	46.6	83%	0.825	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-5.7	179.4	0	0	0	0	0	115.1	H267	H267-G269 PolarHBondContact O-N 3.42Å
270	Q	98.1	Very high	98.3	Very high	115 Å²	115	46.2 Å²	46.2	54%	0.537	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-19.4	179	-55.8	-179.6	24.2	0	0	113.1	F232 H267 R268	F232-Q270 HydrophobicContact CE2-CB 4.09Å; F232-Q270 HydrophobicContact CZ-CB 4.23Å; H267-Q270 HydrophobicContact CB-CB 4.48Å; H267-Q270 PolarHBondContact CD2-OE1 2.67Å; H267-Q270 WeakPolarHBondContact O-CB 3.5Å; H267-Q270 PolarHBondContact O-N 3.05Å; R268-Q270 VanDerWaalsContact C-N 3.25Å; R268-Q270 PolarHBondContact O-N 3.4Å
271	L	97.9	Very high	98.3	Very high	26 Å²	26	46.4 Å²	46.4	14%	0.136	24%	0.24	C	C	.	.			trans	-116.7	140.3	179.3	-64.8	167.3	0	0	0	109.6	F232 L235 K236 F263 F264 V273	F232-L271 HydrophobicContact CD2-CD1 4.28Å; F232-L271 HydrophobicContact CD2-CD2 4.15Å; F232-L271 HydrophobicContact CD2-CG 4.31Å; F232-L271 HydrophobicContact CE1-CD2 4.45Å; F232-L271 HydrophobicContact CE2-CD1 4.29Å; F232-L271 HydrophobicContact CE2-CD2 3.82Å; F232-L271 HydrophobicContact CE2-CG 3.87Å; F232-L271 HydrophobicContact CZ-CD2 3.98Å; F232-L271 HydrophobicContact CZ-CG 4.4Å; L235-L271 HydrophobicContact CB-CD1 3.91Å; L235-L271 HydrophobicContact CB-CD2 4.01Å; L235-L271 HydrophobicContact CD1-CD1 3.77Å; L235-L271 HydrophobicContact CG-CD1 4.5Å; K236-L271 HydrophobicContact CB-CD2 4.13Å; F263-L271 HydrophobicContact CE1-CD1 4.46Å; F264-L271 HydrophobicContact CE1-CD1 4.48Å; L271-V273 VanDerWaalsContact C-N 3.34Å; L271-V273 HydrophobicContact CB-CG1 3.99Å; L271-V273 HydrophobicContact CD1-CG1 4.49Å
272	K	98.1	Very high	98.2	Very high	150 Å²	150	46.4 Å²	46.4	65%	0.652	24%	0.24	S	C	*	.			trans	-85.2	-9.2	175.6	-69.9	170.7	173.9	-175	0	113.5	D239 Q274	D239-K272 CarbonylContact O-C 3.1Å; D239-K272 WeakPolarHBondContact O-CB 3.38Å; D239-K272 WeakPolarHBondContact OD1-CD 3.44Å; D239-K272 IonicContact OD1-NZ 2.8Å; D239-K272 PolarHBondContact OD1-NZ 3.3Å; K272-Q274 PolarHBondContact O-N 3.02Å
273	V	98.4	Very high	98.1	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.097	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-57.3	133.3	-176.2	69.7	0	0	0	0	110.2	L238 D239 A241 L243 F264 L271 L275	L238-V273 HydrophobicContact CB-CG2 4.36Å; L238-V273 HydrophobicContact CD1-CG2 4.14Å; D239-V273 VanDerWaalsContact O-CA 3.3Å; D239-V273 WeakPolarHBondContact O-CA 3.46Å; D239-V273 PolarHBondContact O-N 3.45Å; A241-V273 WeakPolarHBondContact O-CG2 3.24Å; L243-V273 HydrophobicContact CB-CG2 3.66Å; F264-V273 HydrophobicContact CE1-CG1 4.41Å; L271-V273 VanDerWaalsContact C-N 3.34Å; L271-V273 HydrophobicContact CB-CG1 3.99Å; L271-V273 HydrophobicContact CD1-CG1 4.49Å; V273-L275 HydrophobicContact CG1-CD2 4.11Å
274	Q	98.7	Very high	97.9	Very high	94 Å²	94	49.5 Å²	49.5	44%	0.439	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124	178.4	-61.2	-175.3	17.5	0	0	109.2	A241 I242 L243 K272	A241-Q274 PolarHBondContact O-N 2.93Å; I242-Q274 CarbonylContact C-O 3.44Å; I242-Q274 VanDerWaalsContact CA-O 3.31Å; I242-Q274 WeakPolarHBondContact CA-O 3.26Å; I242-Q274 HydrophobicContact CG1-CB 4.11Å; L243-Q274 PolarHBondContact N-O 3.47Å; K272-Q274 PolarHBondContact O-N 3.02Å
275	L	98.8	Very high	97.9	Very high	26 Å²	26	49 Å²	49	14%	0.136	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.4	-179.1	-54.5	-178.7	0	0	0	110.9	L147 L243 I245 F264 V273 W277	L147-L275 HydrophobicContact CB-CD1 4.21Å; L147-L275 HydrophobicContact CD2-CD1 4.24Å; L243-L275 HydrophobicContact CB-CD2 4.22Å; L243-L275 HydrophobicContact CD2-CD2 4.2Å; I245-L275 HydrophobicContact CD1-CD2 4.19Å; F264-L275 HydrophobicContact CB-CD1 4.21Å; F264-L275 HydrophobicContact CD1-CD1 4.06Å; F264-L275 HydrophobicContact CD1-CD2 4.28Å; F264-L275 HydrophobicContact CD2-CD1 3.97Å; F264-L275 HydrophobicContact CD2-CD2 4.47Å; F264-L275 HydrophobicContact CE1-CD1 4.43Å; F264-L275 HydrophobicContact CE1-CD2 3.82Å; F264-L275 HydrophobicContact CE2-CD1 4.33Å; F264-L275 HydrophobicContact CE2-CD2 4.01Å; F264-L275 HydrophobicContact CG-CD1 3.84Å; F264-L275 HydrophobicContact CZ-CD2 3.7Å; V273-L275 HydrophobicContact CG1-CD2 4.11Å; L275-W277 HydrophobicContact CD1-CZ2 4.36Å
276	A	98.9	Very high	97.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.9	172.4	0	0	0	0	0	109.8	F114 P153 I242 L243 W244 I245	F114-A276 HydrophobicContact CD1-CB 4.15Å; F114-A276 HydrophobicContact CE1-CB 3.61Å; F114-A276 HydrophobicContact CZ-CB 4.39Å; P153-A276 HydrophobicContact CG-CB 4.35Å; I242-A276 HydrophobicContact CG2-CB 3.72Å; L243-A276 PolarHBondContact O-N 3.02Å; W244-A276 CarbonylContact C-O 3.58Å; W244-A276 HydrophobicContact CG-CB 4.4Å; I245-A276 PolarHBondContact N-O 3.45Å
277	W	98.8	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.			trans	-129.4	88	-171.9	-59	86.9	0	0	0	109.5	S115 L116 F144 L147 L148 I245 A247 T257 L260 V261 F264 L275	S115-W277 PolarHBondContact OG-N 3.37Å; L116-W277 WeakPolarHBondContact CB-O 2.95Å; L116-W277 WeakPolarHBondContact CG-O 3.26Å; L116-W277 PolarHBondContact N-O 2.93Å; F144-W277 HydrophobicContact CE2-CD2 4.14Å; F144-W277 AromaticContact CE2-CE3 3.7Å; F144-W277 HydrophobicContact CE2-CE3 3.7Å; F144-W277 AromaticContact CE2-CZ3 3.96Å; F144-W277 HydrophobicContact CE2-CZ3 3.96Å; F144-W277 HydrophobicContact CZ-CB 4.22Å; F144-W277 HydrophobicContact CZ-CD2 4.12Å; F144-W277 AromaticContact CZ-CE3 3.97Å; F144-W277 HydrophobicContact CZ-CE3 3.97Å; F144-W277 HydrophobicContact CZ-CG 4.26Å; L147-W277 HydrophobicContact CD1-CZ2 4.38Å; L148-W277 HydrophobicContact CD2-CB 3.61Å; L148-W277 HydrophobicContact CD2-CG 3.72Å; I245-W277 HydrophobicContact CB-CD2 4.12Å; I245-W277 HydrophobicContact CB-CE3 3.67Å; I245-W277 HydrophobicContact CB-CH2 4.25Å; I245-W277 HydrophobicContact CB-CZ3 3.75Å; I245-W277 HydrophobicContact CD1-CD2 4.22Å; I245-W277 HydrophobicContact CD1-CE3 4.26Å; I245-W277 HydrophobicContact CD1-CH2 3.52Å; I245-W277 HydrophobicContact CD1-CZ2 3.43Å; I245-W277 VanDerWaalsContact CD1-CZ2 3.43Å; I245-W277 HydrophobicContact CD1-CZ3 3.95Å; I245-W277 HydrophobicContact CG1-CH2 4.47Å; I245-W277 HydrophobicContact CG1-CZ3 4.45Å; I245-W277 HydrophobicContact CG2-CE3 3.63Å; I245-W277 HydrophobicContact CG2-CH2 3.9Å; I245-W277 HydrophobicContact CG2-CZ3 3.27Å; A247-W277 HydrophobicContact CB-CE3 4.2Å; A247-W277 HydrophobicContact CB-CZ3 4.22Å; T257-W277 HydrophobicContact CG2-CZ3 4.45Å; L260-W277 HydrophobicContact CD2-CH2 3.92Å; L260-W277 HydrophobicContact CD2-CZ3 4.33Å; L260-W277 HydrophobicContact CG-CH2 4.28Å; V261-W277 HydrophobicContact CG2-CH2 4.39Å; F264-W277 HydrophobicContact CD2-CZ2 4.29Å; F264-W277 HydrophobicContact CE2-CZ2 4.45Å; L275-W277 HydrophobicContact CD1-CZ2 4.36Å
278	P	98.8	Very high	97.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.			trans	-59.6	145.6	175.6	31.8	-43.1	0	0	0	111.3	W244 I245 P246 F248 I281	W244-P278 HydrophobicContact CD2-CG 4.1Å; W244-P278 HydrophobicContact CE3-CG 4.14Å; W244-P278 HydrophobicContact CH2-CB 3.69Å; W244-P278 HydrophobicContact CH2-CG 3.37Å; W244-P278 HydrophobicContact CZ2-CB 3.3Å; W244-P278 HydrophobicContact CZ2-CG 3.32Å; W244-P278 HydrophobicContact CZ3-CG 3.79Å; I245-P278 WeakPolarHBondContact O-CD 3.25Å; P246-P278 HydrophobicContact CB-CG 3.89Å; F248-P278 WeakPolarHBondContact CD2-O 3.33Å; P278-I281 HydrophobicContact CB-CD1 3.91Å; P278-I281 HydrophobicContact CB-CG1 4.45Å; P278-I281 HydrophobicContact CB-CG2 4.48Å
279	G	98.5	Very high	97.8	Very high	5 Å²	5	42.8 Å²	42.8	5%	0.052	22%	0.22	C	C	.	.			trans	-85.7	-145.9	172.7	0	0	0	0	0	112.7	I281	G279-I281 PolarHBondContact O-N 2.82Å; G279-I281 VanDerWaalsContact O-N 3.1Å
280	N	98.4	Very high	97.9	Very high	44 Å²	44	45.7 Å²	45.7	24%	0.235	21%	0.21	C	C	.	.	S	Bend	trans	-79.8	81.7	173.6	-63.7	109.7	0	0	0	111.2	H128 D130	H128-N280 PolarHBondContact O-ND2 3.24Å; D130-N280 WeakPolarHBondContact OD1-CA 3.25Å; D130-N280 WeakPolarHBondContact OD1-CB 3.46Å; D130-N280 PolarHBondContact OD1-ND2 2.63Å
281	I	98.3	Very high	97.8	Very high	3 Å²	3	45 Å²	45	2%	0.015	21%	0.21	C	C	.	.			trans	-106.4	-19	-168.6	68.5	168.4	0	0	0	113.9	N113 D130 W244 F249 P278 G279 Q283 H284 V285 L304	N113-I281 HydrophobicContact CB-CB 4.16Å; N113-I281 HydrophobicContact CB-CG2 3.75Å; N113-I281 WeakPolarHBondContact OD1-CG2 3.45Å; D130-I281 PolarHBondContact OD2-N 2.93Å; D130-I281 VanDerWaalsContact OD2-N 3.11Å; W244-I281 HydrophobicContact CH2-CD1 4.02Å; W244-I281 HydrophobicContact CZ2-CD1 3.96Å; F249-I281 HydrophobicContact CE1-CG1 3.97Å; F249-I281 HydrophobicContact CZ-CD1 4.22Å; F249-I281 HydrophobicContact CZ-CG1 3.94Å; P278-I281 HydrophobicContact CB-CD1 3.91Å; P278-I281 HydrophobicContact CB-CG1 4.45Å; P278-I281 HydrophobicContact CB-CG2 4.48Å; G279-I281 PolarHBondContact O-N 2.82Å; G279-I281 VanDerWaalsContact O-N 3.1Å; I281-Q283 VanDerWaalsContact C-N 3.25Å; I281-Q283 PolarHBondContact O-N 3.45Å; I281-H284 WeakPolarHBondContact O-CB 2.96Å; I281-H284 PolarHBondContact O-N 3.43Å; I281-V285 PolarHBondContact O-N 3.5Å; I281-V285 VanDerWaalsContact O-N 3.12Å; I281-L304 HydrophobicContact CD1-CD1 4.35Å
282	M	98	Very high	97.7	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-29.7	-167.9	-65.4	-53.4	-52.8	0	0	112.3	D130 Y131 F249 H284 V285 N286 L299 L304	D130-M282 HydrophobicContact CB-CB 4.15Å; D130-M282 HydrophobicContact CB-CG 4.29Å; D130-M282 VanDerWaalsContact OD2-CB 3.26Å; D130-M282 WeakPolarHBondContact OD2-CB 3.48Å; D130-M282 VanDerWaalsContact OD2-CG 3.29Å; D130-M282 WeakPolarHBondContact OD2-CG 3.4Å; D130-M282 PolarHBondContact OD2-N 2.95Å; Y131-M282 HydrophobicContact CE1-CB 4.36Å; Y131-M282 HydrophobicContact CE2-CB 4.43Å; Y131-M282 HydrophobicContact CE2-CG 3.81Å; Y131-M282 WeakPolarHBondContact OH-CB 3.36Å; Y131-M282 WeakPolarHBondContact OH-CE 3.37Å; Y131-M282 VanDerWaalsContact OH-CG 3.27Å; Y131-M282 WeakPolarHBondContact OH-CG 3.37Å; F249-M282 HydrophobicContact CD1-CG 4.26Å; F249-M282 HydrophobicContact CE1-CG 3.84Å; F249-M282 HydrophobicContact CE1-SD 4.3Å; F249-M282 HydrophobicContact CE2-CG 4.2Å; F249-M282 HydrophobicContact CE2-SD 3.96Å; F249-M282 HydrophobicContact CZ-CG 3.81Å; F249-M282 HydrophobicContact CZ-SD 3.67Å; M282-H284 PolarHBondContact O-N 3.19Å; M282-V285 HydrophobicContact CE-CB 4.21Å; M282-V285 HydrophobicContact CE-CG1 4.08Å; M282-V285 PolarHBondContact O-N 3.4Å; M282-N286 WeakPolarHBondContact O-CB 3.36Å; M282-N286 PolarHBondContact O-N 2.95Å; M282-N286 PolarHBondContact O-ND2 3.01Å; M282-N286 VanDerWaalsContact O-ND2 3.15Å; M282-N286 PolarHBondContact O-OD1 3.06Å; M282-L299 HydrophobicContact CE-CB 3.96Å; M282-L299 HydrophobicContact CE-CD1 4.07Å; M282-L304 HydrophobicContact SD-CD1 4.15Å; M282-L304 HydrophobicContact SD-CD2 3.98Å
283	Q	95.8	Very high	97.6	Very high	106 Å²	106	47.5 Å²	47.5	50%	0.495	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-31.2	171.7	68	-165.9	12.6	0	0	113.6	I281 R287	I281-Q283 VanDerWaalsContact C-N 3.25Å; I281-Q283 PolarHBondContact O-N 3.45Å; Q283-R287 WeakPolarHBondContact O-CG 3.35Å
284	H	95.1	Very high	97.4	Very high	46 Å²	46	47.1 Å²	47.1	21%	0.213	22%	0.219	C	C	.	.	H	α-helix	trans	-80.7	-48.8	177.6	-58.1	-66	0	0	0	109.8	I281 M282 N286 R287	I281-H284 WeakPolarHBondContact O-CB 2.96Å; I281-H284 PolarHBondContact O-N 3.43Å; M282-H284 PolarHBondContact O-N 3.19Å; H284-N286 VanDerWaalsContact C-N 3.28Å; H284-N286 PolarHBondContact O-N 2.97Å; H284-R287 WeakPolarHBondContact O-CB 3.3Å; H284-R287 PolarHBondContact O-N 3.03Å; H284-R287 VanDerWaalsContact O-N 3.07Å
285	V	97.8	Very high	97.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-43.3	177.2	177	0	0	0	0	111.3	V108 I281 M282 R287 Y288 W289 L299 L304 T307	V108-V285 HydrophobicContact CG1-CG2 4.25Å; I281-V285 PolarHBondContact O-N 3.5Å; I281-V285 VanDerWaalsContact O-N 3.12Å; M282-V285 HydrophobicContact CE-CB 4.21Å; M282-V285 HydrophobicContact CE-CG1 4.08Å; M282-V285 PolarHBondContact O-N 3.4Å; V285-R287 PolarHBondContact O-N 3.14Å; V285-Y288 PolarHBondContact O-N 3.37Å; V285-W289 VanDerWaalsContact O-CD1 3.29Å; V285-L299 HydrophobicContact CG1-CD1 3.78Å; V285-L304 HydrophobicContact CG1-CD1 4.1Å; V285-L304 HydrophobicContact CG2-CD1 3.9Å; V285-T307 HydrophobicContact CG1-CG2 4.35Å
286	N	97.3	Very high	96.9	Very high	50 Å²	50	46 Å²	46	27%	0.267	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-27.2	179.7	-71.7	-15.9	0	0	0	113.1	M282 H284 K290 L299	M282-N286 WeakPolarHBondContact O-CB 3.36Å; M282-N286 PolarHBondContact O-N 2.95Å; M282-N286 PolarHBondContact O-ND2 3.01Å; M282-N286 VanDerWaalsContact O-ND2 3.15Å; M282-N286 PolarHBondContact O-OD1 3.06Å; H284-N286 VanDerWaalsContact C-N 3.28Å; H284-N286 PolarHBondContact O-N 2.97Å; N286-K290 WeakPolarHBondContact O-CB 3.18Å; N286-K290 PolarHBondContact O-N 3.39Å; N286-L299 WeakPolarHBondContact OD1-CD1 3.46Å
287	R	97	Very high	96.5	Very high	132 Å²	132	54.7 Å²	54.7	50%	0.498	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-46.3	-179.6	-69.1	170	-169	177.4	-1.6	111.5	H107 Q283 H284 V285 N291	H107-R287 HydrophobicContact CB-CB 4.45Å; Q283-R287 WeakPolarHBondContact O-CG 3.35Å; H284-R287 WeakPolarHBondContact O-CB 3.3Å; H284-R287 PolarHBondContact O-N 3.03Å; H284-R287 VanDerWaalsContact O-N 3.07Å; V285-R287 PolarHBondContact O-N 3.14Å; R287-N291 PolarHBondContact O-N 2.63Å
288	Y	98	Very high	96.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-51.2	178	170.3	-100.2	0	0	0	111.2	Q100 E103 I104 V285 K290 N291 K292	Q100-Y288 WeakPolarHBondContact CG-OH 3.14Å; Q100-Y288 PolarHBondContact NE2-OH 3.2Å; E103-Y288 HydrophobicContact CB-CD2 4.45Å; E103-Y288 HydrophobicContact CB-CE2 4Å; I104-Y288 HydrophobicContact CB-CD2 4.43Å; I104-Y288 HydrophobicContact CD1-CE1 3.97Å; I104-Y288 HydrophobicContact CG1-CD1 3.81Å; I104-Y288 HydrophobicContact CG1-CD2 3.73Å; I104-Y288 HydrophobicContact CG1-CE1 3.57Å; I104-Y288 HydrophobicContact CG1-CE2 3.5Å; I104-Y288 HydrophobicContact CG1-CG 3.89Å; I104-Y288 VanDerWaalsContact CG1-CZ 3.41Å; V285-Y288 PolarHBondContact O-N 3.37Å; Y288-K290 VanDerWaalsContact C-N 3.32Å; Y288-K290 PolarHBondContact O-N 2.95Å; Y288-N291 WeakPolarHBondContact O-CB 3.17Å; Y288-N291 PolarHBondContact O-N 3.31Å; Y288-N291 VanDerWaalsContact O-N 3.12Å; Y288-K292 HydrophobicContact CE1-CG 4.36Å; Y288-K292 PolarHBondContact O-N 3.31Å; Y288-K292 WeakPolarHBondContact OH-CE 3.35Å
289	W	98.1	Very high	96.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-31.6	-176.5	-67	109.8	0	0	0	113.3	V285 N291 K292 H293 L294 L299 I303 Y306 T307 L362 M366	V285-W289 VanDerWaalsContact O-CD1 3.29Å; W289-N291 VanDerWaalsContact C-N 3.29Å; W289-N291 PolarHBondContact O-N 3.26Å; W289-K292 CarbonylContact O-C 3.59Å; W289-K292 WeakPolarHBondContact O-CA 3.35Å; W289-K292 PolarHBondContact O-N 3.19Å; W289-H293 PolarHBondContact O-N 3.31Å; W289-L294 CarbonylContact C-O 3.58Å; W289-L294 VanDerWaalsContact C-O 3.29Å; W289-L294 HydrophobicContact CB-CB 4.41Å; W289-L294 HydrophobicContact CB-CD2 4.31Å; W289-L294 HydrophobicContact CD2-CD2 4.41Å; W289-L294 HydrophobicContact CE3-CD2 4.12Å; W289-L294 PolarHBondContact O-N 3.31Å; W289-L299 HydrophobicContact CB-CD1 4.14Å; W289-L299 HydrophobicContact CB-CD2 4.2Å; W289-L299 HydrophobicContact CG-CD1 3.94Å; W289-L299 HydrophobicContact CG-CD2 4.27Å; W289-I303 HydrophobicContact CD2-CD1 3.82Å; W289-I303 HydrophobicContact CD2-CG1 4.23Å; W289-I303 HydrophobicContact CE3-CD1 3.71Å; W289-I303 HydrophobicContact CE3-CG1 4.39Å; W289-I303 HydrophobicContact CH2-CD1 3.76Å; W289-I303 HydrophobicContact CH2-CG1 3.65Å; W289-I303 HydrophobicContact CZ2-CD1 3.88Å; W289-I303 HydrophobicContact CZ2-CG1 3.46Å; W289-I303 VanDerWaalsContact CZ2-CG1 3.46Å; W289-I303 HydrophobicContact CZ3-CD1 3.68Å; W289-I303 HydrophobicContact CZ3-CG1 4.12Å; W289-Y306 AromaticContact CH2-CD1 3.87Å; W289-Y306 HydrophobicContact CH2-CD1 3.87Å; W289-Y306 HydrophobicContact CH2-CE1 4.24Å; W289-Y306 AromaticContact CZ2-CD1 3.95Å; W289-Y306 HydrophobicContact CZ2-CD1 3.95Å; W289-T307 PolarHBondContact NE1-OG1 3.41Å; W289-L362 HydrophobicContact CE3-CD2 3.56Å; W289-L362 HydrophobicContact CZ3-CD2 3.55Å; W289-L362 HydrophobicContact CZ3-CG 4.33Å; W289-M366 HydrophobicContact CH2-SD 4.39Å; W289-M366 HydrophobicContact CZ3-SD 4.22Å
290	K	97	Very high	96.1	Very high	141 Å²	141	58.5 Å²	58.5	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-61.5	-37.1	173	-172.3	176.8	-179.1	-177.1	0	112	N286 Y288 K292 H293 L294	N286-K290 WeakPolarHBondContact O-CB 3.18Å; N286-K290 PolarHBondContact O-N 3.39Å; Y288-K290 VanDerWaalsContact C-N 3.32Å; Y288-K290 PolarHBondContact O-N 2.95Å; K290-K292 PolarHBondContact O-N 3.3Å; K290-H293 PolarHBondContact O-N 3.41Å; K290-L294 PolarHBondContact N-O 3.04Å
291	N	96.7	Very high	96.1	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	28%	0.279	S	S	.	.	H	α-helix	trans	-68.4	-20.4	174.7	-67.1	-10.2	0	0	0	112.7	H107 R287 Y288 W289 H293	H107-N291 PolarHBondContact NE2-ND2 3.39Å; R287-N291 PolarHBondContact O-N 2.63Å; Y288-N291 WeakPolarHBondContact O-CB 3.17Å; Y288-N291 PolarHBondContact O-N 3.31Å; Y288-N291 VanDerWaalsContact O-N 3.12Å; W289-N291 VanDerWaalsContact C-N 3.29Å; W289-N291 PolarHBondContact O-N 3.26Å; N291-H293 VanDerWaalsContact C-N 3.26Å
292	K	96.4	Very high	96.1	Very high	58 Å²	58	58.6 Å²	58.6	25%	0.252	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	17.6	171.3	-55.6	-58.9	-179.4	-177.7	0	112.7	E103 Y288 W289 K290 L294 L362	E103-K292 IonicContact OE1-NZ 3.63Å; E103-K292 WeakPolarHBondContact OE2-CE 3.47Å; E103-K292 IonicContact OE2-NZ 2.82Å; E103-K292 PolarHBondContact OE2-NZ 2.82Å; Y288-K292 HydrophobicContact CE1-CG 4.36Å; Y288-K292 PolarHBondContact O-N 3.31Å; Y288-K292 WeakPolarHBondContact OH-CE 3.35Å; W289-K292 CarbonylContact O-C 3.59Å; W289-K292 WeakPolarHBondContact O-CA 3.35Å; W289-K292 PolarHBondContact O-N 3.19Å; K290-K292 PolarHBondContact O-N 3.3Å; K292-L294 PolarHBondContact O-N 2.84Å; K292-L362 HydrophobicContact CB-CD1 4.34Å; K292-L362 HydrophobicContact CB-CD2 4.03Å
293	H	95.5	Very high	96.1	Very high	171 Å²	171	58.4 Å²	58.4	79%	0.792	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	25	-178.4	-52.8	-64.7	0	0	0	114.7	W289 K290 N291	W289-H293 PolarHBondContact O-N 3.31Å; K290-H293 PolarHBondContact O-N 3.41Å; N291-H293 VanDerWaalsContact C-N 3.26Å
294	L	94.6	Very high	96.2	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	26%	0.258	C	S	.	.			trans	-107.6	105.7	174	179.4	67.2	0	0	0	109.5	W289 K290 K292 P296 L299 I303 A358 E359 L362	W289-L294 CarbonylContact C-O 3.58Å; W289-L294 VanDerWaalsContact C-O 3.29Å; W289-L294 HydrophobicContact CB-CB 4.41Å; W289-L294 HydrophobicContact CB-CD2 4.31Å; W289-L294 HydrophobicContact CD2-CD2 4.41Å; W289-L294 HydrophobicContact CE3-CD2 4.12Å; W289-L294 PolarHBondContact O-N 3.31Å; K290-L294 PolarHBondContact N-O 3.04Å; K292-L294 PolarHBondContact O-N 2.84Å; L294-P296 VanDerWaalsContact C-CD 3.46Å; L294-L299 HydrophobicContact CD2-CD2 3.64Å; L294-L299 HydrophobicContact CG-CD2 4.03Å; L294-I303 HydrophobicContact CD2-CD1 3.4Å; L294-I303 VanDerWaalsContact CD2-CD1 3.4Å; L294-A358 HydrophobicContact CD1-CB 3.97Å; L294-E359 HydrophobicContact CD1-CG 3.98Å; L294-E359 HydrophobicContact CD2-CG 3.88Å; L294-L362 HydrophobicContact CB-CD2 4.01Å; L294-L362 HydrophobicContact CD2-CD2 3.88Å
295	S	93.1	Very high	96.4	Very high	83 Å²	83	51.4 Å²	51.4	58%	0.58	25%	0.248	S	C	*	.			trans	-131.5	58.2	-176.2	65.8	0	0	0	0	113.6
296	P	92.8	Very high	96.4	Very high	15 Å²	15	51.3 Å²	51.3	10%	0.097	25%	0.248	C	C	.	.			trans	-69	164.1	173.3	31	-35.3	0	0	0	111	L294 R298 L299 Q355	L294-P296 VanDerWaalsContact C-CD 3.46Å; P296-R298 PolarHBondContact O-N 2.94Å; P296-L299 HydrophobicContact CG-CD2 3.67Å; P296-L299 HydrophobicContact CG-CG 4.15Å; P296-Q355 HydrophobicContact CB-CB 4Å; P296-Q355 HydrophobicContact CB-CG 3.89Å
297	K	90.8	Very high	96.5	Very high	181 Å²	181	49 Å²	49	79%	0.787	24%	0.235	S	C	*	.	S	Bend	trans	-56.5	-37.5	165.8	-71.3	-177.2	-179.9	175.5	0	111.2
298	R	93.9	Very high	96.6	Very high	60 Å²	60	42.8 Å²	42.8	23%	0.226	21%	0.212	C	C	.	.	S	Bend	trans	-144.9	121.7	-179.5	-61.7	171	44.9	-171.2	-9.4	110.7	Y131 F250 P296 S353 H354	Y131-R298 HydrophobicContact CD1-CG 3.6Å; Y131-R298 HydrophobicContact CD2-CG 4.31Å; Y131-R298 HydrophobicContact CE1-CB 4.15Å; Y131-R298 HydrophobicContact CE1-CG 3.64Å; Y131-R298 HydrophobicContact CE2-CG 4.35Å; Y131-R298 HydrophobicContact CG-CG 3.91Å; F250-R298 VanDerWaalsContact CE1-NH1 3.34Å; P296-R298 PolarHBondContact O-N 2.94Å; R298-S353 WeakPolarHBondContact CB-O 3.39Å; R298-S353 PolarHBondContact NH1-OG 3.2Å; R298-H354 PolarHBondContact NH2-NE2 2.95Å; R298-H354 PolarHBondContact O-ND1 3.45Å
299	L	96.8	Very high	96.6	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.042	21%	0.212	C	C	.	.			trans	-64.3	148.7	165.8	-68.1	171.8	0	0	0	110.2	M282 V285 N286 W289 L294 P296 I303 E359	M282-L299 HydrophobicContact CE-CB 3.96Å; M282-L299 HydrophobicContact CE-CD1 4.07Å; V285-L299 HydrophobicContact CG1-CD1 3.78Å; N286-L299 WeakPolarHBondContact OD1-CD1 3.46Å; W289-L299 HydrophobicContact CB-CD1 4.14Å; W289-L299 HydrophobicContact CB-CD2 4.2Å; W289-L299 HydrophobicContact CG-CD1 3.94Å; W289-L299 HydrophobicContact CG-CD2 4.27Å; L294-L299 HydrophobicContact CD2-CD2 3.64Å; L294-L299 HydrophobicContact CG-CD2 4.03Å; P296-L299 HydrophobicContact CG-CD2 3.67Å; P296-L299 HydrophobicContact CG-CG 4.15Å; L299-I303 HydrophobicContact CB-CG2 3.79Å; L299-I303 HydrophobicContact CD2-CG2 3.94Å; L299-I303 HydrophobicContact CG-CG2 4.31Å; L299-E359 WeakPolarHBondContact CA-OE1 3.21Å
300	S	97.1	Very high	96.7	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	21%	0.212	C	C	.	.			trans	-72	160.9	174.8	80.7	0	0	0	0	112.6	G302 I303 L304 E359	S300-G302 PolarHBondContact O-N 3.06Å; S300-G302 PolarHBondContact OG-N 3.42Å; S300-I303 PolarHBondContact OG-N 2.82Å; S300-L304 WeakPolarHBondContact O-CB 3.23Å; S300-L304 PolarHBondContact O-N 3.28Å; S300-E359 WeakPolarHBondContact CB-OE2 3.43Å; S300-E359 PolarHBondContact N-OE1 3.13Å; S300-E359 PolarHBondContact OG-OE2 3.47Å
301	T	97.8	Very high	96.8	Very high	42 Å²	42	36.6 Å²	36.6	26%	0.258	19%	0.188	S	C	.	.	H	α-helix	trans	-59.4	-34.5	169.5	-54.7	0	0	0	0	111.5	C189 T209 L304 M305	C189-T301 HydrophobicContact CB-CG2 4.16Å; T209-T301 HydrophobicContact CG2-CG2 3.84Å; T209-T301 WeakPolarHBondContact OG1-CG2 3Å; T301-L304 WeakPolarHBondContact O-CB 3.28Å; T301-L304 PolarHBondContact O-N 2.92Å; T301-M305 HydrophobicContact CG2-CG 4.4Å; T301-M305 WeakPolarHBondContact O-CG 3.45Å; T301-M305 PolarHBondContact O-N 3.4Å
302	G	98.1	Very high	96.9	Very high	7 Å²	7	32 Å²	32	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-49.7	-177.3	0	0	0	0	0	112.3	S300 L304 M305 Y306	S300-G302 PolarHBondContact O-N 3.06Å; S300-G302 PolarHBondContact OG-N 3.42Å; G302-L304 VanDerWaalsContact C-N 3.29Å; G302-L304 PolarHBondContact O-N 3.48Å; G302-M305 PolarHBondContact O-N 2.86Å; G302-M305 VanDerWaalsContact O-N 3.16Å; G302-Y306 PolarHBondContact O-N 3.2Å
303	I	98.3	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.7	-27.9	178.7	-155.3	173.2	0	0	0	112.3	W289 L294 L299 S300 Y306 T307 E359	W289-I303 HydrophobicContact CD2-CD1 3.82Å; W289-I303 HydrophobicContact CD2-CG1 4.23Å; W289-I303 HydrophobicContact CE3-CD1 3.71Å; W289-I303 HydrophobicContact CE3-CG1 4.39Å; W289-I303 HydrophobicContact CH2-CD1 3.76Å; W289-I303 HydrophobicContact CH2-CG1 3.65Å; W289-I303 HydrophobicContact CZ2-CD1 3.88Å; W289-I303 HydrophobicContact CZ2-CG1 3.46Å; W289-I303 VanDerWaalsContact CZ2-CG1 3.46Å; W289-I303 HydrophobicContact CZ3-CD1 3.68Å; W289-I303 HydrophobicContact CZ3-CG1 4.12Å; L294-I303 HydrophobicContact CD2-CD1 3.4Å; L294-I303 VanDerWaalsContact CD2-CD1 3.4Å; L299-I303 HydrophobicContact CB-CG2 3.79Å; L299-I303 HydrophobicContact CD2-CG2 3.94Å; L299-I303 HydrophobicContact CG-CG2 4.31Å; S300-I303 PolarHBondContact OG-N 2.82Å; I303-Y306 WeakPolarHBondContact O-CB 3.47Å; I303-Y306 PolarHBondContact O-N 3.05Å; I303-T307 PolarHBondContact O-N 2.89Å; I303-T307 PolarHBondContact O-OG1 3.48Å; I303-E359 HydrophobicContact CD1-CB 4.36Å; I303-E359 HydrophobicContact CD1-CG 4.22Å
304	L	98.8	Very high	97.1	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-44.5	168.7	178	60.6	0	0	0	111.3	W244 F249 I281 M282 V285 S300 T301 G302 Y306 T307 L308	W244-L304 HydrophobicContact CH2-CD2 3.7Å; W244-L304 HydrophobicContact CH2-CG 4.46Å; W244-L304 HydrophobicContact CZ3-CD2 3.99Å; F249-L304 HydrophobicContact CE2-CD2 3.94Å; F249-L304 HydrophobicContact CZ-CD2 4.19Å; I281-L304 HydrophobicContact CD1-CD1 4.35Å; M282-L304 HydrophobicContact SD-CD1 4.15Å; M282-L304 HydrophobicContact SD-CD2 3.98Å; V285-L304 HydrophobicContact CG1-CD1 4.1Å; V285-L304 HydrophobicContact CG2-CD1 3.9Å; S300-L304 WeakPolarHBondContact O-CB 3.23Å; S300-L304 PolarHBondContact O-N 3.28Å; T301-L304 WeakPolarHBondContact O-CB 3.28Å; T301-L304 PolarHBondContact O-N 2.92Å; G302-L304 VanDerWaalsContact C-N 3.29Å; G302-L304 PolarHBondContact O-N 3.48Å; L304-Y306 VanDerWaalsContact C-N 3.31Å; L304-Y306 PolarHBondContact O-N 2.83Å; L304-T307 VanDerWaalsContact O-CB 3.29Å; L304-T307 WeakPolarHBondContact O-CB 3.3Å; L304-T307 PolarHBondContact O-N 2.67Å; L304-T307 VanDerWaalsContact O-N 3.1Å; L304-L308 WeakPolarHBondContact O-CG 3.21Å; L304-L308 PolarHBondContact O-N 3.02Å
305	M	98.8	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-37.2	175.6	-68.9	-55	95.2	0	0	112.2	V164 F187 L207 T209 W244 T301 G302 T307 L308 A309	V164-M305 HydrophobicContact CG1-CB 3.66Å; F187-M305 HydrophobicContact CD1-SD 4.2Å; L207-M305 HydrophobicContact CD2-SD 3.7Å; T209-M305 HydrophobicContact CG2-CE 3.52Å; T209-M305 HydrophobicContact CG2-CG 4.16Å; T209-M305 HydrophobicContact CG2-SD 3.39Å; T209-M305 WeakPolarHBondContact CG2-SD 3.16Å; W244-M305 HydrophobicContact CD2-CE 4.48Å; W244-M305 HydrophobicContact CE3-CE 4.19Å; W244-M305 HydrophobicContact CZ3-CE 4.22Å; T301-M305 HydrophobicContact CG2-CG 4.4Å; T301-M305 WeakPolarHBondContact O-CG 3.45Å; T301-M305 PolarHBondContact O-N 3.4Å; G302-M305 PolarHBondContact O-N 2.86Å; G302-M305 VanDerWaalsContact O-N 3.16Å; M305-T307 VanDerWaalsContact C-N 3.32Å; M305-T307 PolarHBondContact O-N 3.41Å; M305-L308 HydrophobicContact CE-CD1 3.47Å; M305-L308 VanDerWaalsContact CE-CD1 3.47Å; M305-L308 HydrophobicContact CE-CG 4.34Å; M305-L308 PolarHBondContact O-N 3.45Å; M305-L308 HydrophobicContact SD-CD1 4.32Å; M305-A309 VanDerWaalsContact O-CB 3.23Å; M305-A309 WeakPolarHBondContact O-CB 3.34Å; M305-A309 PolarHBondContact O-N 3.16Å
306	Y	98.9	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.2	-45.6	170.3	-176.9	-90	0	0	0	111.9	Q100 W289 G302 I303 L304 L308 A309 S310 I316 L318 M366 T372	Q100-Y306 PolarHBondContact OE1-OH 2.94Å; W289-Y306 AromaticContact CH2-CD1 3.87Å; W289-Y306 HydrophobicContact CH2-CD1 3.87Å; W289-Y306 HydrophobicContact CH2-CE1 4.24Å; W289-Y306 AromaticContact CZ2-CD1 3.95Å; W289-Y306 HydrophobicContact CZ2-CD1 3.95Å; G302-Y306 PolarHBondContact O-N 3.2Å; I303-Y306 WeakPolarHBondContact O-CB 3.47Å; I303-Y306 PolarHBondContact O-N 3.05Å; L304-Y306 VanDerWaalsContact C-N 3.31Å; L304-Y306 PolarHBondContact O-N 2.83Å; Y306-L308 VanDerWaalsContact C-N 3.34Å; Y306-L308 PolarHBondContact O-N 2.91Å; Y306-A309 PolarHBondContact O-N 2.92Å; Y306-S310 PolarHBondContact O-N 3.4Å; Y306-I316 HydrophobicContact CD2-CD1 4.07Å; Y306-I316 HydrophobicContact CD2-CG2 3.9Å; Y306-I316 HydrophobicContact CE2-CB 4.14Å; Y306-I316 HydrophobicContact CE2-CD1 3.83Å; Y306-I316 HydrophobicContact CE2-CG2 3.94Å; Y306-L318 HydrophobicContact CD2-CD1 4.4Å; Y306-L318 HydrophobicContact CD2-CD2 4.04Å; Y306-M366 HydrophobicContact CD1-CE 4.31Å; Y306-M366 HydrophobicContact CE1-CE 3.43Å; Y306-M366 VanDerWaalsContact CE1-CE 3.43Å; Y306-M366 HydrophobicContact CE2-CE 4.11Å; Y306-M366 WeakPolarHBondContact OH-CE 3.21Å; Y306-T372 HydrophobicContact CE2-CG2 4.08Å
307	T	98.9	Very high	97.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-57.9	-46.5	177.8	-49.8	0	0	0	0	110.9	I104 V285 W289 I303 L304 M305 S310	I104-T307 HydrophobicContact CG2-CG2 3.84Å; V285-T307 HydrophobicContact CG1-CG2 4.35Å; W289-T307 PolarHBondContact NE1-OG1 3.41Å; I303-T307 PolarHBondContact O-N 2.89Å; I303-T307 PolarHBondContact O-OG1 3.48Å; L304-T307 VanDerWaalsContact O-CB 3.29Å; L304-T307 WeakPolarHBondContact O-CB 3.3Å; L304-T307 PolarHBondContact O-N 2.67Å; L304-T307 VanDerWaalsContact O-N 3.1Å; M305-T307 VanDerWaalsContact C-N 3.32Å; M305-T307 PolarHBondContact O-N 3.41Å; T307-S310 PolarHBondContact O-OG 3.38Å
308	L	98.8	Very high	98.3	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-67.6	-43.6	178.6	-59.5	-176.6	0	0	0	112.2	V110 F114 W244 L304 M305 Y306 S310 A311	V110-L308 HydrophobicContact CG1-CD2 3.9Å; F114-L308 HydrophobicContact CD2-CD1 3.98Å; F114-L308 HydrophobicContact CD2-CD2 4.42Å; F114-L308 HydrophobicContact CE2-CD1 4.17Å; W244-L308 HydrophobicContact CZ2-CD1 3.86Å; L304-L308 WeakPolarHBondContact O-CG 3.21Å; L304-L308 PolarHBondContact O-N 3.02Å; M305-L308 HydrophobicContact CE-CD1 3.47Å; M305-L308 VanDerWaalsContact CE-CD1 3.47Å; M305-L308 HydrophobicContact CE-CG 4.34Å; M305-L308 PolarHBondContact O-N 3.45Å; M305-L308 HydrophobicContact SD-CD1 4.32Å; Y306-L308 VanDerWaalsContact C-N 3.34Å; Y306-L308 PolarHBondContact O-N 2.91Å; L308-S310 VanDerWaalsContact C-N 3.26Å; L308-S310 PolarHBondContact O-N 2.95Å; L308-A311 PolarHBondContact O-N 2.99Å
309	A	98.9	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60	-36.9	179	0	0	0	0	0	111.8	V164 F187 M305 Y306 A311 I312 C313 I316	V164-A309 HydrophobicContact CG2-CB 4.03Å; F187-A309 HydrophobicContact CD2-CB 4.25Å; F187-A309 HydrophobicContact CE1-CB 4.35Å; F187-A309 HydrophobicContact CE2-CB 3.65Å; F187-A309 HydrophobicContact CZ-CB 3.72Å; M305-A309 VanDerWaalsContact O-CB 3.23Å; M305-A309 WeakPolarHBondContact O-CB 3.34Å; M305-A309 PolarHBondContact O-N 3.16Å; Y306-A309 PolarHBondContact O-N 2.92Å; A309-A311 PolarHBondContact O-N 3.35Å; A309-I312 PolarHBondContact O-N 3.31Å; A309-C313 WeakPolarHBondContact O-CB 3.39Å; A309-C313 PolarHBondContact O-N 3.01Å; A309-C313 PolarHBondContact O-SG 3.37Å; A309-I316 HydrophobicContact CB-CD1 3.69Å; A309-I316 HydrophobicContact CB-CG1 4.24Å
310	S	98.7	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-54.2	-31.4	-179.3	75.5	0	0	0	0	113.9	R101 I104 Y306 T307 L308	R101-S310 WeakPolarHBondContact CD-O 3.39Å; R101-S310 VanDerWaalsContact CG-O 3.32Å; R101-S310 WeakPolarHBondContact CG-O 3.31Å; R101-S310 PolarHBondContact NE-O 3.32Å; I104-S310 WeakPolarHBondContact CD1-OG 3.34Å; Y306-S310 PolarHBondContact O-N 3.4Å; T307-S310 PolarHBondContact O-OG 3.38Å; L308-S310 VanDerWaalsContact C-N 3.26Å; L308-S310 PolarHBondContact O-N 2.95Å
311	A	98.6	Very high	98.7	Very high	13 Å²	13	9 Å²	9	11%	0.107	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.7	-178.2	0	0	0	0	0	114	L105 V110 L308 A309	L105-A311 HydrophobicContact CD2-CB 4.08Å; V110-A311 HydrophobicContact CB-CB 3.67Å; V110-A311 HydrophobicContact CG1-CB 3.48Å; V110-A311 VanDerWaalsContact CG1-CB 3.48Å; V110-A311 HydrophobicContact CG2-CB 4.1Å; L308-A311 PolarHBondContact O-N 2.99Å; A309-A311 PolarHBondContact O-N 3.35Å
312	I	98.8	Very high	98.6	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-6.5	-171.2	59.4	168.2	0	0	0	114.3	I111 I154 K157 H158 Y159 F187 A309	I111-I312 HydrophobicContact CD1-CG2 4.38Å; I154-I312 HydrophobicContact CB-CD1 4.43Å; I154-I312 HydrophobicContact CB-CG2 4.19Å; I154-I312 HydrophobicContact CD1-CG2 4.18Å; I154-I312 HydrophobicContact CG2-CD1 4.07Å; K157-I312 WeakPolarHBondContact O-CB 3.37Å; K157-I312 WeakPolarHBondContact O-CG2 3.25Å; H158-I312 CarbonylContact C-O 3.29Å; H158-I312 WeakPolarHBondContact CA-O 3.42Å; Y159-I312 HydrophobicContact CD2-CB 4.36Å; Y159-I312 HydrophobicContact CD2-CD1 4.07Å; Y159-I312 HydrophobicContact CD2-CG1 4.38Å; Y159-I312 HydrophobicContact CE2-CD1 4Å; Y159-I312 PolarHBondContact N-O 2.89Å; F187-I312 HydrophobicContact CZ-CD1 3.86Å; F187-I312 HydrophobicContact CZ-CG1 4.33Å; A309-I312 PolarHBondContact O-N 3.31Å
313	C	98.9	Very high	98.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.9	-175.6	-60.1	0	0	0	0	111.3	F97 R101 Y159 C162 A309 I316	F97-C313 WeakPolarHBondContact CE1-O 3.31Å; F97-C313 VanDerWaalsContact CZ-O 3.24Å; F97-C313 WeakPolarHBondContact CZ-O 3.32Å; R101-C313 PolarHBondContact NH2-O 3.02Å; Y159-C313 CarbonylContact O-C 3.56Å; Y159-C313 VanDerWaalsContact O-CA 3.32Å; Y159-C313 WeakPolarHBondContact O-CA 3.2Å; C162-C313 HydrophobicContact CB-CB 3.56Å; C162-C313 WeakPolarHBondContact CB-SG 3.13Å; C162-C313 WeakPolarHBondContact SG-CB 3.36Å; C162-C313 CovalentContact SG-SG 2.01Å; C162-C313 PolarHBondContact SG-SG 3.03Å; A309-C313 WeakPolarHBondContact O-CB 3.39Å; A309-C313 PolarHBondContact O-N 3.01Å; A309-C313 PolarHBondContact O-SG 3.37Å; C313-I316 HydrophobicContact CB-CD1 4.43Å; C313-I316 HydrophobicContact CB-CG1 3.85Å
314	E	98.7	Very high	98.1	Very high	45 Å²	45	7.7 Å²	7.7	21%	0.21	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-28.8	176.5	-65.3	-60.1	110.7	0	0	113.5	F92 R94 F97 R101 Y159 N160	F92-E314 WeakPolarHBondContact CE1-O 3.3Å; F92-E314 WeakPolarHBondContact CZ-O 3.07Å; R94-E314 IonicContact NH1-OE2 3.68Å; R94-E314 PolarHBondContact NH1-OE2 3.23Å; F97-E314 WeakPolarHBondContact CD1-O 3.4Å; F97-E314 WeakPolarHBondContact CE1-O 3.44Å; R101-E314 IonicContact CZ-OE1 2.99Å; R101-E314 IonicContact NH1-OE1 3.61Å; R101-E314 PolarHBondContact NH1-OE1 2.89Å; R101-E314 IonicContact NH2-OE1 3.43Å; R101-E314 PolarHBondContact NH2-OE1 3.03Å; Y159-E314 PolarHBondContact O-N 3.37Å; N160-E314 CarbonylContact O-C 3.46Å; N160-E314 WeakPolarHBondContact O-CB 3.5Å; N160-E314 PolarHBondContact O-N 3.5Å; N160-E314 VanDerWaalsContact O-N 3.16Å
315	E	98.8	Very high	97.7	Very high	28 Å²	28	8.1 Å²	8.1	13%	0.131	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.9	175.6	-173.3	172.7	152.4	0	0	109.6	W90 F92 N160 C162 H317	W90-E315 HydrophobicContact CH2-CG 4.48Å; W90-E315 WeakPolarHBondContact CH2-OE1 3.46Å; W90-E315 WeakPolarHBondContact CZ3-OE1 3.33Å; F92-E315 HydrophobicContact CD1-CB 4.34Å; F92-E315 HydrophobicContact CD1-CG 3.98Å; F92-E315 VanDerWaalsContact CD1-OE2 3.27Å; F92-E315 WeakPolarHBondContact CD1-OE2 3.46Å; F92-E315 HydrophobicContact CD2-CG 3.91Å; F92-E315 HydrophobicContact CE1-CB 3.93Å; F92-E315 HydrophobicContact CE1-CG 3.98Å; F92-E315 HydrophobicContact CE2-CB 4.42Å; F92-E315 HydrophobicContact CE2-CG 3.93Å; F92-E315 HydrophobicContact CG-CG 3.95Å; F92-E315 HydrophobicContact CZ-CB 3.98Å; F92-E315 HydrophobicContact CZ-CG 3.97Å; N160-E315 PolarHBondContact O-N 3.24Å; C162-E315 PolarHBondContact N-O 3.27Å; E315-H317 IonicContact OE1-CD2 3.89Å; E315-H317 IonicContact OE1-CE1 2.97Å; E315-H317 IonicContact OE1-NE2 3.96Å; E315-H317 PolarHBondContact OE1-NE2 3.01Å
316	I	98.9	Very high	97.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.6	-177.7	-59	172.3	0	0	0	110.4	F97 C162 V164 Y306 A309 C313 L318 T372 K373	F97-I316 HydrophobicContact CE2-CD1 3.82Å; F97-I316 HydrophobicContact CE2-CG1 4.19Å; F97-I316 HydrophobicContact CZ-CD1 3.93Å; F97-I316 HydrophobicContact CZ-CG1 4.13Å; C162-I316 WeakPolarHBondContact O-CA 3.48Å; V164-I316 HydrophobicContact CG2-CG2 3.9Å; Y306-I316 HydrophobicContact CD2-CD1 4.07Å; Y306-I316 HydrophobicContact CD2-CG2 3.9Å; Y306-I316 HydrophobicContact CE2-CB 4.14Å; Y306-I316 HydrophobicContact CE2-CD1 3.83Å; Y306-I316 HydrophobicContact CE2-CG2 3.94Å; A309-I316 HydrophobicContact CB-CD1 3.69Å; A309-I316 HydrophobicContact CB-CG1 4.24Å; C313-I316 HydrophobicContact CB-CD1 4.43Å; C313-I316 HydrophobicContact CB-CG1 3.85Å; I316-L318 HydrophobicContact CG2-CD2 3.93Å; I316-T372 WeakPolarHBondContact O-CA 3.38Å; I316-T372 PolarHBondContact O-OG1 3.41Å; I316-K373 PolarHBondContact O-N 3.03Å; I316-K373 VanDerWaalsContact O-N 3.11Å
317	H	98.9	Very high	97	Very high	20 Å²	20	10.3 Å²	10.3	9%	0.093	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.9	171.3	-62.3	178.4	0	0	0	110	C162 A163 V164 E315 Y319 K373	C162-H317 PolarHBondContact O-N 3.02Å; A163-H317 CarbonylContact C-O 3.35Å; A163-H317 WeakPolarHBondContact CA-O 3.43Å; V164-H317 PolarHBondContact N-O 3.38Å; E315-H317 IonicContact OE1-CD2 3.89Å; E315-H317 IonicContact OE1-CE1 2.97Å; E315-H317 IonicContact OE1-NE2 3.96Å; E315-H317 PolarHBondContact OE1-NE2 3.01Å; H317-Y319 HydrophobicContact CB-CD2 4.43Å; H317-Y319 HydrophobicContact CB-CE2 3.58Å; H317-K373 CarbonylContact C-O 3.53Å; H317-K373 WeakPolarHBondContact CA-O 3.34Å; H317-K373 HydrophobicContact CB-CB 4.32Å; H317-K373 VanDerWaalsContact CD2-CB 3.49Å; H317-K373 WeakPolarHBondContact CD2-CB 3.49Å
318	L	98.9	Very high	96.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130	-177.4	-60.3	-178.2	0	0	0	110.2	V164 Y306 I316 F321 L363 T372 K373 L374 T375	V164-L318 HydrophobicContact CB-CD2 3.69Å; V164-L318 HydrophobicContact CG1-CD2 4.32Å; V164-L318 HydrophobicContact CG2-CD2 4.27Å; Y306-L318 HydrophobicContact CD2-CD1 4.4Å; Y306-L318 HydrophobicContact CD2-CD2 4.04Å; I316-L318 HydrophobicContact CG2-CD2 3.93Å; L318-F321 HydrophobicContact CB-CD2 3.88Å; L318-F321 HydrophobicContact CB-CE2 4.22Å; L318-F321 HydrophobicContact CB-CG 4.46Å; L318-F321 HydrophobicContact CD2-CD2 4.34Å; L318-F321 HydrophobicContact CD2-CE2 3.88Å; L318-F321 HydrophobicContact CD2-CZ 4.12Å; L318-L363 HydrophobicContact CD1-CB 4.43Å; L318-L363 HydrophobicContact CD1-CD1 4.23Å; L318-L363 HydrophobicContact CD1-CD2 3.89Å; L318-L363 HydrophobicContact CD1-CG 4.41Å; L318-T372 HydrophobicContact CD1-CG2 3.94Å; L318-K373 PolarHBondContact N-O 3.44Å; L318-L374 HydrophobicContact CB-CD1 3.8Å; L318-L374 HydrophobicContact CD1-CD1 4.23Å; L318-T375 PolarHBondContact O-N 3.45Å
319	Y	98.9	Very high	95.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.3	177.8	-62.5	-90.4	0	0	0	109.1	A163 V164 V165 G166 C176 E179 I180 H317 F321 T375	A163-Y319 HydrophobicContact CB-CD2 4.11Å; A163-Y319 HydrophobicContact CB-CE2 3.99Å; V164-Y319 PolarHBondContact O-N 3.34Å; V165-Y319 CarbonylContact C-O 3.59Å; V165-Y319 WeakPolarHBondContact CA-O 3.41Å; G166-Y319 PolarHBondContact N-O 3.31Å; C176-Y319 HydrophobicContact CB-CD1 4.13Å; C176-Y319 HydrophobicContact CB-CE1 4.25Å; E179-Y319 WeakPolarHBondContact CG-OH 3.33Å; E179-Y319 PolarHBondContact OE1-OH 2.92Å; I180-Y319 HydrophobicContact CD1-CD1 4.1Å; I180-Y319 HydrophobicContact CD1-CD2 4.37Å; I180-Y319 HydrophobicContact CD1-CG 3.95Å; I180-Y319 HydrophobicContact CG1-CD1 3.95Å; I180-Y319 HydrophobicContact CG1-CD2 3.8Å; I180-Y319 HydrophobicContact CG1-CE1 4.09Å; I180-Y319 HydrophobicContact CG1-CE2 3.92Å; I180-Y319 HydrophobicContact CG1-CG 3.81Å; H317-Y319 HydrophobicContact CB-CD2 4.43Å; H317-Y319 HydrophobicContact CB-CE2 3.58Å; Y319-F321 VanDerWaalsContact C-N 3.34Å; Y319-F321 VanDerWaalsContact O-CD2 3.25Å; Y319-F321 WeakPolarHBondContact O-CD2 3.43Å; Y319-F321 PolarHBondContact O-N 3.09Å; Y319-T375 HydrophobicContact CD1-CG2 3.93Å; Y319-T375 HydrophobicContact CE1-CG2 3.87Å; Y319-T375 WeakPolarHBondContact CE1-OG1 3.47Å
320	G	98.5	Very high	95.4	Very high	4 Å²	4	19.5 Å²	19.5	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	71.9	26.4	176.9	0	0	0	0	0	114.7	G166 N167 S168	G166-G320 CarbonylContact C-O 3.57Å; N167-G320 PolarHBondContact N-O 3.39Å; S168-G320 WeakPolarHBondContact CB-O 3.47Å; S168-G320 PolarHBondContact N-O 2.91Å; S168-G320 VanDerWaalsContact N-O 3.09Å
321	F	98.3	Very high	94.9	Very high	21 Å²	21	23.4 Å²	23.4	9%	0.092	12%	0.123	C	C	.	.			trans	-102.2	77.8	173.4	-77.2	-102.3	0	0	0	109.7	V164 L318 Y319 F360 L363 L374	V164-F321 HydrophobicContact CB-CE2 4.45Å; V164-F321 HydrophobicContact CG1-CE2 4.01Å; V164-F321 HydrophobicContact CG1-CZ 3.85Å; V164-F321 WeakPolarHBondContact O-CE2 3.15Å; L318-F321 HydrophobicContact CB-CD2 3.88Å; L318-F321 HydrophobicContact CB-CE2 4.22Å; L318-F321 HydrophobicContact CB-CG 4.46Å; L318-F321 HydrophobicContact CD2-CD2 4.34Å; L318-F321 HydrophobicContact CD2-CE2 3.88Å; L318-F321 HydrophobicContact CD2-CZ 4.12Å; Y319-F321 VanDerWaalsContact C-N 3.34Å; Y319-F321 VanDerWaalsContact O-CD2 3.25Å; Y319-F321 WeakPolarHBondContact O-CD2 3.43Å; Y319-F321 PolarHBondContact O-N 3.09Å; F321-F360 WeakPolarHBondContact O-CD2 3.36Å; F321-F360 WeakPolarHBondContact O-CE2 3.45Å; F321-L363 HydrophobicContact CD1-CD1 3.53Å; F321-L363 HydrophobicContact CE1-CD1 3.97Å; F321-L363 HydrophobicContact CG-CD1 4.36Å; F321-L374 HydrophobicContact CB-CD1 3.68Å
322	W	96.3	Very high	94.5	Very high	6 Å²	6	29.5 Å²	29.5	2%	0.023	15%	0.149	C	C	.	.			trans	-146.7	102.1	178.1	176.1	-101.6	0	0	0	109.6	I75 L83 S168 I170 F324 F326 P328 F360 L376	I75-W322 HydrophobicContact CD1-CH2 3.73Å; I75-W322 HydrophobicContact CD1-CZ2 4.29Å; L83-W322 HydrophobicContact CD1-CH2 4.06Å; L83-W322 HydrophobicContact CD1-CZ3 4.07Å; S168-W322 VanDerWaalsContact CB-O 3.25Å; S168-W322 WeakPolarHBondContact CB-O 3.44Å; S168-W322 WeakPolarHBondContact OG-CB 3.39Å; S168-W322 PolarHBondContact OG-O 3.49Å; I170-W322 HydrophobicContact CB-CB 3.92Å; I170-W322 HydrophobicContact CB-CG 4.19Å; I170-W322 HydrophobicContact CD1-CB 3.75Å; I170-W322 HydrophobicContact CD1-CD2 4.08Å; I170-W322 HydrophobicContact CD1-CG 3.74Å; I170-W322 HydrophobicContact CG1-CB 4.43Å; I170-W322 HydrophobicContact CG1-CG 4.47Å; I170-W322 HydrophobicContact CG2-CB 3.78Å; W322-F324 VanDerWaalsContact C-N 3.27Å; W322-F324 VanDerWaalsContact CD1-O 3.29Å; W322-F324 HydrophobicContact CD2-CB 4.46Å; W322-F324 AromaticContact CD2-CD2 3.65Å; W322-F324 HydrophobicContact CD2-CD2 3.65Å; W322-F324 HydrophobicContact CD2-CE2 4.48Å; W322-F324 AromaticContact CE2-CD2 3.58Å; W322-F324 AromaticContact CE3-CD2 3.7Å; W322-F324 HydrophobicContact CE3-CD2 3.7Å; W322-F324 HydrophobicContact CE3-CE2 4.11Å; W322-F324 HydrophobicContact CG-CD2 4.39Å; W322-F324 AromaticContact CH2-CD2 3.6Å; W322-F324 HydrophobicContact CH2-CD2 3.6Å; W322-F324 HydrophobicContact CH2-CE2 4.15Å; W322-F324 HydrophobicContact CH2-CG 4.38Å; W322-F324 HydrophobicContact CZ2-CB 3.78Å; W322-F324 AromaticContact CZ2-CD2 3.57Å; W322-F324 HydrophobicContact CZ2-CD2 3.57Å; W322-F324 HydrophobicContact CZ2-CG 4.04Å; W322-F324 AromaticContact CZ3-CD2 3.67Å; W322-F324 HydrophobicContact CZ3-CD2 3.67Å; W322-F324 AromaticContact CZ3-CE2 3.93Å; W322-F324 HydrophobicContact CZ3-CE2 3.93Å; W322-F324 PolarHBondContact NE1-O 2.83Å; W322-F324 VanDerWaalsContact NE1-O 3.17Å; W322-F324 PolarHBondContact O-N 2.76Å; W322-F326 VanDerWaalsContact CE2-O 3.25Å; W322-F326 HydrophobicContact CH2-CE2 4.31Å; W322-F326 HydrophobicContact CZ2-CD2 4.07Å; W322-F326 AromaticContact CZ2-CE2 3.82Å; W322-F326 HydrophobicContact CZ2-CE2 3.82Å; W322-F326 VanDerWaalsContact CZ2-O 3.29Å; W322-F326 WeakPolarHBondContact CZ2-O 3.42Å; W322-F326 PolarHBondContact NE1-O 2.91Å; W322-P328 HydrophobicContact CD2-CG 4.49Å; W322-P328 HydrophobicContact CE3-CG 4.46Å; W322-P328 HydrophobicContact CH2-CB 3.62Å; W322-P328 HydrophobicContact CH2-CG 4.22Å; W322-P328 HydrophobicContact CZ2-CB 3.9Å; W322-P328 HydrophobicContact CZ2-CG 4.2Å; W322-P328 HydrophobicContact CZ3-CB 4Å; W322-P328 HydrophobicContact CZ3-CG 4.33Å; W322-F360 HydrophobicContact CE3-CE1 4.3Å; W322-F360 AromaticContact CE3-CE2 3.69Å; W322-F360 HydrophobicContact CE3-CE2 3.69Å; W322-F360 AromaticContact CE3-CZ 3.58Å; W322-F360 HydrophobicContact CE3-CZ 3.58Å; W322-F360 HydrophobicContact CZ3-CE1 4.02Å; W322-F360 HydrophobicContact CZ3-CE2 4.2Å; W322-F360 AromaticContact CZ3-CZ 3.58Å; W322-F360 HydrophobicContact CZ3-CZ 3.58Å; W322-L376 HydrophobicContact CE3-CD2 4.24Å
323	P	94.6	Very high	94.1	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.065	19%	0.186	C	C	.	.			trans	-92.3	31.2	-171.7	38.5	-38.5	0	0	0	113.1	F346 L356 F360	P323-F346 WeakPolarHBondContact O-CZ 3.4Å; P323-L356 HydrophobicContact CB-CB 3.5Å; P323-L356 HydrophobicContact CB-CD1 4.26Å; P323-L356 HydrophobicContact CG-CB 4.13Å; P323-F360 HydrophobicContact CG-CB 3.82Å; P323-F360 HydrophobicContact CG-CG 4.33Å
324	F	91.7	Very high	93.8	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	19%	0.191	C	C	.	.	S	Bend	trans	-124.3	149.6	-177.2	-47.9	-80.2	0	0	0	111.3	V73 I75 W322 F326 F346 P357 F360	V73-F324 HydrophobicContact CB-CD1 4.15Å; V73-F324 HydrophobicContact CB-CE1 4.36Å; V73-F324 HydrophobicContact CG1-CD1 4.33Å; V73-F324 HydrophobicContact CG1-CE1 4.04Å; I75-F324 HydrophobicContact CD1-CD1 4.36Å; I75-F324 HydrophobicContact CD1-CD2 4.18Å; I75-F324 HydrophobicContact CD1-CE1 4.41Å; I75-F324 HydrophobicContact CD1-CE2 4.21Å; I75-F324 HydrophobicContact CD1-CG 4.25Å; I75-F324 HydrophobicContact CD1-CZ 4.34Å; I75-F324 HydrophobicContact CG1-CD1 3.98Å; I75-F324 HydrophobicContact CG1-CE1 3.77Å; I75-F324 HydrophobicContact CG1-CE2 4.36Å; I75-F324 HydrophobicContact CG1-CG 4.38Å; I75-F324 HydrophobicContact CG1-CZ 3.98Å; W322-F324 VanDerWaalsContact C-N 3.27Å; W322-F324 VanDerWaalsContact CD1-O 3.29Å; W322-F324 HydrophobicContact CD2-CB 4.46Å; W322-F324 AromaticContact CD2-CD2 3.65Å; W322-F324 HydrophobicContact CD2-CD2 3.65Å; W322-F324 HydrophobicContact CD2-CE2 4.48Å; W322-F324 AromaticContact CE2-CD2 3.58Å; W322-F324 AromaticContact CE3-CD2 3.7Å; W322-F324 HydrophobicContact CE3-CD2 3.7Å; W322-F324 HydrophobicContact CE3-CE2 4.11Å; W322-F324 HydrophobicContact CG-CD2 4.39Å; W322-F324 AromaticContact CH2-CD2 3.6Å; W322-F324 HydrophobicContact CH2-CD2 3.6Å; W322-F324 HydrophobicContact CH2-CE2 4.15Å; W322-F324 HydrophobicContact CH2-CG 4.38Å; W322-F324 HydrophobicContact CZ2-CB 3.78Å; W322-F324 AromaticContact CZ2-CD2 3.57Å; W322-F324 HydrophobicContact CZ2-CD2 3.57Å; W322-F324 HydrophobicContact CZ2-CG 4.04Å; W322-F324 AromaticContact CZ3-CD2 3.67Å; W322-F324 HydrophobicContact CZ3-CD2 3.67Å; W322-F324 AromaticContact CZ3-CE2 3.93Å; W322-F324 HydrophobicContact CZ3-CE2 3.93Å; W322-F324 PolarHBondContact NE1-O 2.83Å; W322-F324 VanDerWaalsContact NE1-O 3.17Å; W322-F324 PolarHBondContact O-N 2.76Å; F324-F326 HydrophobicContact CB-CD1 4.35Å; F324-F326 HydrophobicContact CB-CE1 4.04Å; F324-F326 HydrophobicContact CB-CZ 4.22Å; F324-F326 PolarHBondContact O-N 3.3Å; F324-F346 WeakPolarHBondContact O-CE2 3.31Å; F324-P357 HydrophobicContact CE1-CB 4.08Å; F324-P357 HydrophobicContact CE1-CG 4.25Å; F324-P357 HydrophobicContact CZ-CB 4.14Å; F324-F360 AromaticContact CE2-CD1 3.69Å; F324-F360 HydrophobicContact CE2-CD1 3.69Å; F324-F360 AromaticContact CE2-CE1 3.97Å; F324-F360 HydrophobicContact CE2-CE1 3.97Å; F324-F360 HydrophobicContact CE2-CG 4.09Å; F324-F360 HydrophobicContact CZ-CD1 4.14Å
325	G	91.1	Very high	93.5	Very high	13 Å²	13	36.2 Å²	36.2	13%	0.134	19%	0.188	C	C	.	.	S	Bend	trans	-84.5	18.6	-175.5	0	0	0	0	0	115.7	D333 L334	G325-D333 WeakPolarHBondContact O-CA 3.26Å; G325-L334 PolarHBondContact O-N 2.97Å
326	F	90.4	Very high	93.2	Very high	30 Å²	30	37.2 Å²	37.2	13%	0.132	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-142.5	149.5	178	55.9	-94.2	0	0	0	110.3	I75 W322 F324 E332	I75-F326 HydrophobicContact CD1-CE1 4.49Å; I75-F326 HydrophobicContact CD1-CE2 3.61Å; I75-F326 HydrophobicContact CD1-CZ 3.32Å; I75-F326 HydrophobicContact CG1-CZ 3.81Å; W322-F326 VanDerWaalsContact CE2-O 3.25Å; W322-F326 HydrophobicContact CH2-CE2 4.31Å; W322-F326 HydrophobicContact CZ2-CD2 4.07Å; W322-F326 AromaticContact CZ2-CE2 3.82Å; W322-F326 HydrophobicContact CZ2-CE2 3.82Å; W322-F326 VanDerWaalsContact CZ2-O 3.29Å; W322-F326 WeakPolarHBondContact CZ2-O 3.42Å; W322-F326 PolarHBondContact NE1-O 2.91Å; F324-F326 HydrophobicContact CB-CD1 4.35Å; F324-F326 HydrophobicContact CB-CE1 4.04Å; F324-F326 HydrophobicContact CB-CZ 4.22Å; F324-F326 PolarHBondContact O-N 3.3Å; F326-E332 CarbonylContact C-O 3.6Å; F326-E332 WeakPolarHBondContact CA-O 3.32Å
327	D	90.5	Very high	93	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.091	20%	0.201	C	C	.	.			trans	-68.3	134.4	175.9	-172.5	-81.8	0	0	0	110.8	N329 T330 R331 E332 L334	D327-N329 PolarHBondContact O-N 3.43Å; D327-N329 VanDerWaalsContact OD1-CA 3.32Å; D327-N329 WeakPolarHBondContact OD1-CA 3.41Å; D327-N329 VanDerWaalsContact OD1-CB 3.3Å; D327-N329 WeakPolarHBondContact OD1-CB 3.41Å; D327-N329 PolarHBondContact OD1-N 2.89Å; D327-N329 PolarHBondContact OD1-ND2 3.3Å; D327-T330 VanDerWaalsContact CB-OG1 3.25Å; D327-T330 WeakPolarHBondContact CB-OG1 3.45Å; D327-T330 PolarHBondContact OD1-N 3.4Å; D327-R331 VanDerWaalsContact O-CA 3.22Å; D327-R331 WeakPolarHBondContact O-CA 3.35Å; D327-R331 PolarHBondContact O-N 2.84Å; D327-E332 PolarHBondContact N-O 2.88Å; D327-L334 HydrophobicContact CB-CD1 4.03Å; D327-L334 HydrophobicContact CB-CG 4.12Å
328	P	88.9	Confident	93	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.065	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.2	-179.6	20.7	-28.6	0	0	0	113.5	I170 W322 R331	I170-P328 HydrophobicContact CD1-CG 3.82Å; W322-P328 HydrophobicContact CD2-CG 4.49Å; W322-P328 HydrophobicContact CE3-CG 4.46Å; W322-P328 HydrophobicContact CH2-CB 3.62Å; W322-P328 HydrophobicContact CH2-CG 4.22Å; W322-P328 HydrophobicContact CZ2-CB 3.9Å; W322-P328 HydrophobicContact CZ2-CG 4.2Å; W322-P328 HydrophobicContact CZ3-CB 4Å; W322-P328 HydrophobicContact CZ3-CG 4.33Å; P328-R331 PolarHBondContact O-NE 3.37Å
329	N	86.7	Confident	92.8	Very high	103 Å²	103	41.1 Å²	41.1	55%	0.551	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-52.8	-174	-49.1	-72.1	0	0	0	111.6	D327 L376	D327-N329 PolarHBondContact O-N 3.43Å; D327-N329 VanDerWaalsContact OD1-CA 3.32Å; D327-N329 WeakPolarHBondContact OD1-CA 3.41Å; D327-N329 VanDerWaalsContact OD1-CB 3.3Å; D327-N329 WeakPolarHBondContact OD1-CB 3.41Å; D327-N329 PolarHBondContact OD1-N 2.89Å; D327-N329 PolarHBondContact OD1-ND2 3.3Å; N329-L376 PolarHBondContact ND2-O 3.22Å
330	T	89	Confident	92.5	Very high	83 Å²	83	43.3 Å²	43.3	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-19.2	-174.5	70	0	0	0	0	113.1	D327 E332	D327-T330 VanDerWaalsContact CB-OG1 3.25Å; D327-T330 WeakPolarHBondContact CB-OG1 3.45Å; D327-T330 PolarHBondContact OD1-N 3.4Å; T330-E332 PolarHBondContact O-N 2.85Å; T330-E332 PolarHBondContact OG1-N 3.41Å
331	R	88.1	Confident	92	Very high	81 Å²	81	51.7 Å²	51.7	31%	0.306	25%	0.254	S	S	.	.			trans	61.7	11.7	-172.8	-50.6	-62.4	179.9	164.6	-3.3	114.5	D327 P328	D327-R331 VanDerWaalsContact O-CA 3.22Å; D327-R331 WeakPolarHBondContact O-CA 3.35Å; D327-R331 PolarHBondContact O-N 2.84Å; P328-R331 PolarHBondContact O-NE 3.37Å
332	E	89.3	Confident	91.2	Very high	141 Å²	141	61 Å²	61	66%	0.659	29%	0.294	S	S	*	.			trans	-69.7	155.1	171.3	-66.7	-168.2	157.7	0	0	111.1	F326 D327 T330 L334	F326-E332 CarbonylContact C-O 3.6Å; F326-E332 WeakPolarHBondContact CA-O 3.32Å; D327-E332 PolarHBondContact N-O 2.88Å; T330-E332 PolarHBondContact O-N 2.85Å; T330-E332 PolarHBondContact OG1-N 3.41Å; E332-L334 PolarHBondContact O-N 3.48Å
333	D	91	Very high	90.2	Very high	146 Å²	146	64.3 Å²	64.3	78%	0.781	33%	0.331	S	S	*	.	B	Isolated β-bridge	trans	-63.5	132.9	-180	-68.1	-13.1	0	0	0	111.2	G325	G325-D333 WeakPolarHBondContact O-CA 3.26Å
334	L	91.3	Very high	89.7	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.11	35%	0.345	C	S	.	.			trans	-113	139.4	174	-76.7	-178.5	0	0	0	111.3	I170 G325 D327 E332	I170-L334 HydrophobicContact CB-CD1 4.11Å; I170-L334 HydrophobicContact CG1-CD1 4.37Å; G325-L334 PolarHBondContact O-N 2.97Å; D327-L334 HydrophobicContact CB-CD1 4.03Å; D327-L334 HydrophobicContact CB-CG 4.12Å; E332-L334 PolarHBondContact O-N 3.48Å
335	P	93.1	Very high	89.3	Confident	22 Å²	22	75.6 Å²	75.6	14%	0.143	38%	0.384	C	S	.	.			trans	-66.9	160.1	167.2	30	-33.1	0	0	0	110.7	G169 H337 D340	G169-P335 WeakPolarHBondContact CA-O 3.31Å; G169-P335 PolarHBondContact N-O 3.11Å; P335-H337 WeakPolarHBondContact CG-O 3.45Å; P335-D340 HydrophobicContact CB-CB 3.9Å
336	Y	92.2	Very high	89	Confident	49 Å²	49	76 Å²	76	19%	0.192	38%	0.382	C	S	.	.	S	Bend	trans	-68.1	-41.6	176.8	179.4	-106.9	0	0	0	111.2	S168 G169 F346 T347 W350 L356	S168-Y336 WeakPolarHBondContact CA-O 3.22Å; G169-Y336 PolarHBondContact N-O 3.02Å; Y336-F346 HydrophobicContact CD2-CD2 4.25Å; Y336-F346 HydrophobicContact CD2-CE1 4.46Å; Y336-F346 AromaticContact CD2-CE2 3.51Å; Y336-F346 HydrophobicContact CD2-CE2 3.51Å; Y336-F346 AromaticContact CD2-CZ 3.61Å; Y336-F346 HydrophobicContact CD2-CZ 3.61Å; Y336-F346 HydrophobicContact CE2-CZ 4.31Å; Y336-F346 HydrophobicContact CG-CE2 4.22Å; Y336-T347 HydrophobicContact CD1-CG2 4.35Å; Y336-T347 HydrophobicContact CG-CG2 4.21Å; Y336-W350 AromaticContact CD2-CD1 3.82Å; Y336-W350 AromaticContact CE2-CD1 3.25Å; Y336-W350 HydrophobicContact CE2-CG 4.02Å; Y336-W350 AromaticContact CE2-NE1 3.62Å; Y336-W350 AromaticContact CZ-CD1 3.75Å; Y336-L356 HydrophobicContact CE2-CD1 4.23Å; Y336-L356 WeakPolarHBondContact OH-CD1 3.37Å
337	H	96.3	Very high	88.5	Confident	45 Å²	45	77.2 Å²	77.2	21%	0.208	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-111	148.5	172.6	-52.2	116.8	0	0	0	113.5	N167 P335 Y339 D340	N167-H337 CarbonylContact O-C 3.43Å; N167-H337 WeakPolarHBondContact O-CA 3.33Å; P335-H337 WeakPolarHBondContact CG-O 3.45Å; H337-Y339 HydrophobicContact CB-CD1 4.15Å; H337-Y339 HydrophobicContact CB-CD2 3.77Å; H337-Y339 HydrophobicContact CB-CE1 3.92Å; H337-Y339 HydrophobicContact CB-CE2 3.47Å; H337-Y339 VanDerWaalsContact CB-CE2 3.47Å; H337-Y339 HydrophobicContact CB-CG 4.11Å; H337-Y339 AromaticContact CD2-CZ 3.63Å; H337-Y339 PolarHBondContact CD2-OH 3.14Å; H337-Y339 AromaticContact CG-CE2 3.5Å; H337-Y339 VanDerWaalsContact CG-CE2 3.5Å; H337-Y339 AromaticContact CG-CZ 3.45Å; H337-Y339 VanDerWaalsContact CG-CZ 3.45Å; H337-Y339 AromaticContact ND1-CE2 3.59Å; H337-Y339 AromaticContact ND1-CZ 3.89Å; H337-Y339 PolarHBondContact NE2-OH 2.89Å; H337-Y339 PolarHBondContact O-N 3.22Å; H337-D340 IonicContact CG-OD2 3.34Å; H337-D340 PolarHBondContact N-OD2 3.1Å; H337-D340 IonicContact ND1-OD1 2.69Å; H337-D340 PolarHBondContact ND1-OD1 3Å; H337-D340 IonicContact ND1-OD2 3.52Å; H337-D340 WeakPolarHBondContact O-CB 3.49Å; H337-D340 PolarHBondContact O-N 3.39Å; H337-D340 VanDerWaalsContact O-N 3.13Å
338	Y	97.6	Very high	87.9	Confident	5 Å²	5	77.9 Å²	77.9	2%	0.02	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.7	173.4	69.9	-103	0	0	0	113.7	N167 L171 A192 P193 F197 V201	N167-Y338 HydrophobicContact CB-CD1 4.49Å; N167-Y338 HydrophobicContact CB-CE1 4.31Å; N167-Y338 WeakPolarHBondContact O-CD1 3.35Å; N167-Y338 PolarHBondContact O-N 2.77Å; L171-Y338 HydrophobicContact CD1-CD1 4.01Å; L171-Y338 HydrophobicContact CD1-CE1 4.42Å; A192-Y338 HydrophobicContact CB-CE1 4.42Å; A192-Y338 VanDerWaalsContact CB-OH 3.25Å; A192-Y338 WeakPolarHBondContact CB-OH 3.48Å; P193-Y338 VanDerWaalsContact O-CE2 3.28Å; P193-Y338 WeakPolarHBondContact O-CE2 3.22Å; P193-Y338 PolarHBondContact O-OH 2.83Å; F197-Y338 HydrophobicContact CB-CD2 4.04Å; F197-Y338 HydrophobicContact CB-CE2 3.88Å; F197-Y338 AromaticContact CD1-CD2 3.98Å; F197-Y338 HydrophobicContact CD1-CD2 3.98Å; F197-Y338 HydrophobicContact CD1-CE2 4.43Å; F197-Y338 HydrophobicContact CD2-CD2 4.16Å; F197-Y338 AromaticContact CD2-CE2 3.82Å; F197-Y338 HydrophobicContact CD2-CE2 3.82Å; F197-Y338 WeakPolarHBondContact CE1-O 3.35Å; F197-Y338 AromaticContact CG-CD2 3.78Å; F197-Y338 HydrophobicContact CG-CD2 3.78Å; F197-Y338 AromaticContact CG-CE2 3.78Å; F197-Y338 HydrophobicContact CG-CE2 3.78Å; V201-Y338 HydrophobicContact CG1-CD1 4.16Å; V201-Y338 HydrophobicContact CG1-CD2 3.94Å; V201-Y338 HydrophobicContact CG1-CE1 4.12Å; V201-Y338 HydrophobicContact CG1-CE2 3.89Å; V201-Y338 HydrophobicContact CG1-CG 4.08Å; V201-Y338 HydrophobicContact CG2-CE2 4.14Å
339	Y	95.5	Very high	87.2	Confident	52 Å²	52	84.8 Å²	84.8	20%	0.204	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.3	178.5	51.8	-104.7	0	0	0	113.6	N167 A192 P193 H337	N167-Y339 HydrophobicContact CB-CE1 3.96Å; N167-Y339 PolarHBondContact ND2-OH 3.03Å; A192-Y339 HydrophobicContact CB-CD1 4.33Å; A192-Y339 HydrophobicContact CB-CE1 3.81Å; P193-Y339 HydrophobicContact CG-CD1 3.87Å; P193-Y339 HydrophobicContact CG-CG 3.79Å; H337-Y339 HydrophobicContact CB-CD1 4.15Å; H337-Y339 HydrophobicContact CB-CD2 3.77Å; H337-Y339 HydrophobicContact CB-CE1 3.92Å; H337-Y339 HydrophobicContact CB-CE2 3.47Å; H337-Y339 VanDerWaalsContact CB-CE2 3.47Å; H337-Y339 HydrophobicContact CB-CG 4.11Å; H337-Y339 AromaticContact CD2-CZ 3.63Å; H337-Y339 PolarHBondContact CD2-OH 3.14Å; H337-Y339 AromaticContact CG-CE2 3.5Å; H337-Y339 VanDerWaalsContact CG-CE2 3.5Å; H337-Y339 AromaticContact CG-CZ 3.45Å; H337-Y339 VanDerWaalsContact CG-CZ 3.45Å; H337-Y339 AromaticContact ND1-CE2 3.59Å; H337-Y339 AromaticContact ND1-CZ 3.89Å; H337-Y339 PolarHBondContact NE2-OH 2.89Å; H337-Y339 PolarHBondContact O-N 3.22Å
340	D	92.1	Very high	86.4	Confident	46 Å²	46	80.9 Å²	80.9	25%	0.246	40%	0.403	C	S	.	.	S	Bend	trans	-70.7	151.7	168.2	-66.4	-27.6	0	0	0	109.4	P335 H337 T344	P335-D340 HydrophobicContact CB-CB 3.9Å; H337-D340 IonicContact CG-OD2 3.34Å; H337-D340 PolarHBondContact N-OD2 3.1Å; H337-D340 IonicContact ND1-OD1 2.69Å; H337-D340 PolarHBondContact ND1-OD1 3Å; H337-D340 IonicContact ND1-OD2 3.52Å; H337-D340 WeakPolarHBondContact O-CB 3.49Å; H337-D340 PolarHBondContact O-N 3.39Å; H337-D340 VanDerWaalsContact O-N 3.13Å; D340-T344 HydrophobicContact CB-CG2 4.15Å
341	K	87.2	Confident	85.6	Confident	179 Å²	179	81.2 Å²	81.2	78%	0.778	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-62.4	144	178.5	-67	-176.4	179.6	-177.5	0	110	G343 T344	K341-G343 PolarHBondContact O-N 2.92Å; K341-T344 PolarHBondContact N-OG1 3.37Å; K341-T344 WeakPolarHBondContact O-CB 3.35Å; K341-T344 PolarHBondContact O-N 3.47Å; K341-T344 PolarHBondContact O-OG1 2.88Å
342	K	81.6	Confident	84.9	Confident	217 Å²	217	84.6 Å²	84.6	94%	0.943	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	131.3	175.5	-170.1	175.4	-177.8	176.7	0	110.5
343	G	76.6	Confident	84.4	Confident	76 Å²	76	79.9 Å²	79.9	78%	0.784	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	2.4	-175.9	0	0	0	0	0	115.2	K341 K345	K341-G343 PolarHBondContact O-N 2.92Å; G343-K345 PolarHBondContact O-N 3.34Å
344	T	82.8	Confident	84.1	Confident	60 Å²	60	74.7 Å²	74.7	37%	0.368	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-63.4	123.6	170.2	-58.6	0	0	0	0	109.4	D340 K341	D340-T344 HydrophobicContact CB-CG2 4.15Å; K341-T344 PolarHBondContact N-OG1 3.37Å; K341-T344 WeakPolarHBondContact O-CB 3.35Å; K341-T344 PolarHBondContact O-N 3.47Å; K341-T344 PolarHBondContact O-OG1 2.88Å
345	K	83.8	Confident	84.1	Confident	192 Å²	192	78 Å²	78	84%	0.835	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-65.1	140.1	176.6	-69.9	-166.5	173.9	-166.9	0	111	G343	G343-K345 PolarHBondContact O-N 3.34Å
346	F	84.4	Confident	84.1	Confident	21 Å²	21	78 Å²	78	9%	0.092	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57	140.5	174.1	-170.5	-94.2	0	0	0	111.3	P323 F324 Y336 T348 W350	P323-F346 WeakPolarHBondContact O-CZ 3.4Å; F324-F346 WeakPolarHBondContact O-CE2 3.31Å; Y336-F346 HydrophobicContact CD2-CD2 4.25Å; Y336-F346 HydrophobicContact CD2-CE1 4.46Å; Y336-F346 AromaticContact CD2-CE2 3.51Å; Y336-F346 HydrophobicContact CD2-CE2 3.51Å; Y336-F346 AromaticContact CD2-CZ 3.61Å; Y336-F346 HydrophobicContact CD2-CZ 3.61Å; Y336-F346 HydrophobicContact CE2-CZ 4.31Å; Y336-F346 HydrophobicContact CG-CE2 4.22Å; F346-T348 HydrophobicContact CD1-CG2 4.21Å; F346-T348 HydrophobicContact CE1-CG2 4.07Å; F346-W350 AromaticContact CE1-NE1 3.73Å; F346-W350 AromaticContact CZ-NE1 3.75Å
347	T	80.8	Confident	84.1	Confident	56 Å²	56	76.7 Å²	76.7	34%	0.344	38%	0.383	S	S	.	.			trans	-112.9	137.1	179.3	-171.9	0	0	0	0	111.3	Y336 W350	Y336-T347 HydrophobicContact CD1-CG2 4.35Å; Y336-T347 HydrophobicContact CG-CG2 4.21Å; T347-W350 VanDerWaalsContact O-CD1 3.24Å; T347-W350 PolarHBondContact O-NE1 3.42Å
348	T	77.3	Confident	83.9	Confident	30 Å²	30	76.1 Å²	76.1	18%	0.184	39%	0.386	C	S	.	.			trans	-101.3	5.9	178.5	44.5	0	0	0	0	113.9	P70 V73 F346 W350 Q351	P70-T348 WeakPolarHBondContact O-CG2 3.41Å; P70-T348 PolarHBondContact O-OG1 3.36Å; P70-T348 VanDerWaalsContact O-OG1 3.13Å; V73-T348 HydrophobicContact CG2-CG2 4.47Å; F346-T348 HydrophobicContact CD1-CG2 4.21Å; F346-T348 HydrophobicContact CE1-CG2 4.07Å; T348-W350 PolarHBondContact O-N 2.93Å; T348-Q351 VanDerWaalsContact CG2-NE2 3.29Å; T348-Q351 VanDerWaalsContact O-CB 3.23Å; T348-Q351 WeakPolarHBondContact O-CB 3.26Å; T348-Q351 VanDerWaalsContact O-CG 3.25Å; T348-Q351 WeakPolarHBondContact O-CG 3.46Å; T348-Q351 PolarHBondContact O-N 2.88Å
349	K	74.1	Confident	83.8	Confident	155 Å²	155	76.1 Å²	76.1	67%	0.674	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-55.9	-24.1	179.6	-70.7	-173.7	176.9	-172.8	0	114.2	Q351 E352	K349-Q351 PolarHBondContact O-N 3.19Å; K349-E352 PolarHBondContact O-N 2.96Å
350	W	70.7	Confident	83.8	Confident	22 Å²	22	73.9 Å²	73.9	8%	0.083	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24.8	175.2	59.6	-102.1	0	0	0	113.1	V73 Y336 F346 T347 T348 E352 S353 H354 L356 P357	V73-W350 HydrophobicContact CG2-CH2 4.26Å; V73-W350 HydrophobicContact CG2-CZ2 4.03Å; Y336-W350 AromaticContact CD2-CD1 3.82Å; Y336-W350 AromaticContact CE2-CD1 3.25Å; Y336-W350 HydrophobicContact CE2-CG 4.02Å; Y336-W350 AromaticContact CE2-NE1 3.62Å; Y336-W350 AromaticContact CZ-CD1 3.75Å; F346-W350 AromaticContact CE1-NE1 3.73Å; F346-W350 AromaticContact CZ-NE1 3.75Å; T347-W350 VanDerWaalsContact O-CD1 3.24Å; T347-W350 PolarHBondContact O-NE1 3.42Å; T348-W350 PolarHBondContact O-N 2.93Å; W350-E352 PolarHBondContact O-N 3.35Å; W350-S353 PolarHBondContact O-N 3.01Å; W350-S353 VanDerWaalsContact O-N 3.14Å; W350-H354 HydrophobicContact CE3-CB 4.43Å; W350-H354 PolarHBondContact O-N 3.42Å; W350-L356 HydrophobicContact CB-CD1 4.08Å; W350-L356 HydrophobicContact CD2-CB 4.49Å; W350-L356 HydrophobicContact CD2-CD1 3.62Å; W350-L356 HydrophobicContact CD2-CG 4.09Å; W350-L356 HydrophobicContact CE3-CB 3.98Å; W350-L356 HydrophobicContact CE3-CD1 3.76Å; W350-L356 HydrophobicContact CE3-CG 3.67Å; W350-L356 HydrophobicContact CG-CD1 3.76Å; W350-L356 HydrophobicContact CH2-CB 4.43Å; W350-L356 HydrophobicContact CZ3-CB 3.97Å; W350-L356 HydrophobicContact CZ3-CG 4.17Å; W350-P357 HydrophobicContact CH2-CG 3.47Å; W350-P357 VanDerWaalsContact CH2-CG 3.47Å; W350-P357 HydrophobicContact CZ2-CG 4.34Å; W350-P357 HydrophobicContact CZ3-CG 4.12Å
351	Q	73.1	Confident	83.9	Confident	89 Å²	89	75.3 Å²	75.3	42%	0.416	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.2	-178.9	-68.8	170.8	0.5	0	0	113	T348 K349 S353	T348-Q351 VanDerWaalsContact CG2-NE2 3.29Å; T348-Q351 VanDerWaalsContact O-CB 3.23Å; T348-Q351 WeakPolarHBondContact O-CB 3.26Å; T348-Q351 VanDerWaalsContact O-CG 3.25Å; T348-Q351 WeakPolarHBondContact O-CG 3.46Å; T348-Q351 PolarHBondContact O-N 2.88Å; K349-Q351 PolarHBondContact O-N 3.19Å; Q351-S353 PolarHBondContact O-N 3.35Å
352	E	72.8	Confident	84.4	Confident	153 Å²	153	67.3 Å²	67.3	72%	0.715	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66	-25.1	178.6	-63.1	175.7	-165.9	0	0	112.3	K349 W350	K349-E352 PolarHBondContact O-N 2.96Å; W350-E352 PolarHBondContact O-N 3.35Å
353	S	77.7	Confident	85.2	Confident	42 Å²	42	57.1 Å²	57.1	29%	0.294	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-26.4	-172.2	-71.5	0	0	0	0	114.4	R298 W350 Q351	R298-S353 WeakPolarHBondContact CB-O 3.39Å; R298-S353 PolarHBondContact NH1-OG 3.2Å; W350-S353 PolarHBondContact O-N 3.01Å; W350-S353 VanDerWaalsContact O-N 3.14Å; Q351-S353 PolarHBondContact O-N 3.35Å
354	H	86.3	Confident	86.1	Confident	37 Å²	37	55.5 Å²	55.5	17%	0.171	27%	0.274	C	S	.	.			trans	-125.4	157.8	-170.4	-61.2	-70.7	0	0	0	112.3	R298 W350 L356	R298-H354 PolarHBondContact NH2-NE2 2.95Å; R298-H354 PolarHBondContact O-ND1 3.45Å; W350-H354 HydrophobicContact CE3-CB 4.43Å; W350-H354 PolarHBondContact O-N 3.42Å; H354-L356 HydrophobicContact CB-CD2 3.8Å; H354-L356 HydrophobicContact CB-CG 3.84Å
355	Q	90.1	Very high	86.7	Confident	91 Å²	91	58.3 Å²	58.3	43%	0.425	28%	0.278	S	S	.	.			trans	-113.4	57.6	168.5	-64.3	179.8	-17.9	0	0	110.2	P296 P357 A358 E359	P296-Q355 HydrophobicContact CB-CB 4Å; P296-Q355 HydrophobicContact CB-CG 3.89Å; Q355-P357 VanDerWaalsContact C-CD 3.43Å; Q355-P357 VanDerWaalsContact C-N 3.32Å; Q355-A358 HydrophobicContact CB-CB 4.02Å; Q355-A358 WeakPolarHBondContact O-CB 3.39Å; Q355-A358 PolarHBondContact O-N 3.46Å; Q355-E359 PolarHBondContact O-N 3.12Å
356	L	92.4	Very high	87.4	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-36.7	-175.3	-55.7	-178.7	0	0	0	114.3	P323 Y336 W350 H354 A358 E359 F360	P323-L356 HydrophobicContact CB-CB 3.5Å; P323-L356 HydrophobicContact CB-CD1 4.26Å; P323-L356 HydrophobicContact CG-CB 4.13Å; Y336-L356 HydrophobicContact CE2-CD1 4.23Å; Y336-L356 WeakPolarHBondContact OH-CD1 3.37Å; W350-L356 HydrophobicContact CB-CD1 4.08Å; W350-L356 HydrophobicContact CD2-CB 4.49Å; W350-L356 HydrophobicContact CD2-CD1 3.62Å; W350-L356 HydrophobicContact CD2-CG 4.09Å; W350-L356 HydrophobicContact CE3-CB 3.98Å; W350-L356 HydrophobicContact CE3-CD1 3.76Å; W350-L356 HydrophobicContact CE3-CG 3.67Å; W350-L356 HydrophobicContact CG-CD1 3.76Å; W350-L356 HydrophobicContact CH2-CB 4.43Å; W350-L356 HydrophobicContact CZ3-CB 3.97Å; W350-L356 HydrophobicContact CZ3-CG 4.17Å; H354-L356 HydrophobicContact CB-CD2 3.8Å; H354-L356 HydrophobicContact CB-CG 3.84Å; L356-A358 VanDerWaalsContact C-N 3.34Å; L356-A358 PolarHBondContact O-N 3.45Å; L356-E359 PolarHBondContact O-N 3.3Å; L356-F360 WeakPolarHBondContact O-CB 3.48Å; L356-F360 PolarHBondContact O-N 3.46Å
357	P	92.3	Very high	88	Confident	23 Å²	23	49.9 Å²	49.9	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-37.3	174.6	-24.9	35	0	0	0	112.9	V73 F324 W350 Q355 F360 Q361	V73-P357 HydrophobicContact CG1-CB 4.38Å; V73-P357 HydrophobicContact CG1-CG 3.8Å; F324-P357 HydrophobicContact CE1-CB 4.08Å; F324-P357 HydrophobicContact CE1-CG 4.25Å; F324-P357 HydrophobicContact CZ-CB 4.14Å; W350-P357 HydrophobicContact CH2-CG 3.47Å; W350-P357 VanDerWaalsContact CH2-CG 3.47Å; W350-P357 HydrophobicContact CZ2-CG 4.34Å; W350-P357 HydrophobicContact CZ3-CG 4.12Å; Q355-P357 VanDerWaalsContact C-CD 3.43Å; Q355-P357 VanDerWaalsContact C-N 3.32Å; P357-F360 PolarHBondContact O-N 3.02Å; P357-Q361 VanDerWaalsContact O-CG 3.29Å; P357-Q361 WeakPolarHBondContact O-CG 3.36Å; P357-Q361 PolarHBondContact O-N 2.77Å
358	A	92.1	Very high	88.7	Confident	33 Å²	33	50.6 Å²	50.6	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-39.3	176.5	0	0	0	0	0	111.1	L294 Q355 L356 F360 Q361 L362	L294-A358 HydrophobicContact CD1-CB 3.97Å; Q355-A358 HydrophobicContact CB-CB 4.02Å; Q355-A358 WeakPolarHBondContact O-CB 3.39Å; Q355-A358 PolarHBondContact O-N 3.46Å; L356-A358 VanDerWaalsContact C-N 3.34Å; L356-A358 PolarHBondContact O-N 3.45Å; A358-F360 VanDerWaalsContact C-N 3.34Å; A358-Q361 PolarHBondContact O-N 2.96Å; A358-L362 PolarHBondContact O-N 3.04Å; A358-L362 VanDerWaalsContact O-N 3.09Å
359	E	96.5	Very high	89.6	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-46.3	170.8	-64.7	-172.8	-165.2	0	0	111.1	L294 L299 S300 I303 Q355 L356 L362 L363	L294-E359 HydrophobicContact CD1-CG 3.98Å; L294-E359 HydrophobicContact CD2-CG 3.88Å; L299-E359 WeakPolarHBondContact CA-OE1 3.21Å; S300-E359 WeakPolarHBondContact CB-OE2 3.43Å; S300-E359 PolarHBondContact N-OE1 3.13Å; S300-E359 PolarHBondContact OG-OE2 3.47Å; I303-E359 HydrophobicContact CD1-CB 4.36Å; I303-E359 HydrophobicContact CD1-CG 4.22Å; Q355-E359 PolarHBondContact O-N 3.12Å; L356-E359 PolarHBondContact O-N 3.3Å; E359-L362 PolarHBondContact O-N 3.23Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.37Å; E359-L363 PolarHBondContact O-N 3.44Å
360	F	96.3	Very high	90.7	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.022	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-47	177.8	175.3	-93.7	0	0	0	112.3	L79 F321 W322 P323 F324 L356 P357 A358 L362 L363 Y364 L374 L376	L79-F360 HydrophobicContact CD2-CD1 4.11Å; L79-F360 HydrophobicContact CD2-CE1 3.91Å; F321-F360 WeakPolarHBondContact O-CD2 3.36Å; F321-F360 WeakPolarHBondContact O-CE2 3.45Å; W322-F360 HydrophobicContact CE3-CE1 4.3Å; W322-F360 AromaticContact CE3-CE2 3.69Å; W322-F360 HydrophobicContact CE3-CE2 3.69Å; W322-F360 AromaticContact CE3-CZ 3.58Å; W322-F360 HydrophobicContact CE3-CZ 3.58Å; W322-F360 HydrophobicContact CZ3-CE1 4.02Å; W322-F360 HydrophobicContact CZ3-CE2 4.2Å; W322-F360 AromaticContact CZ3-CZ 3.58Å; W322-F360 HydrophobicContact CZ3-CZ 3.58Å; P323-F360 HydrophobicContact CG-CB 3.82Å; P323-F360 HydrophobicContact CG-CG 4.33Å; F324-F360 AromaticContact CE2-CD1 3.69Å; F324-F360 HydrophobicContact CE2-CD1 3.69Å; F324-F360 AromaticContact CE2-CE1 3.97Å; F324-F360 HydrophobicContact CE2-CE1 3.97Å; F324-F360 HydrophobicContact CE2-CG 4.09Å; F324-F360 HydrophobicContact CZ-CD1 4.14Å; L356-F360 WeakPolarHBondContact O-CB 3.48Å; L356-F360 PolarHBondContact O-N 3.46Å; P357-F360 PolarHBondContact O-N 3.02Å; A358-F360 VanDerWaalsContact C-N 3.34Å; F360-L362 VanDerWaalsContact C-N 3.26Å; F360-L362 PolarHBondContact O-N 2.68Å; F360-L363 PolarHBondContact O-N 3.47Å; F360-Y364 HydrophobicContact CZ-CD2 4.37Å; F360-Y364 VanDerWaalsContact O-CB 3.3Å; F360-Y364 WeakPolarHBondContact O-CB 3.44Å; F360-Y364 PolarHBondContact O-N 3.27Å; F360-L374 HydrophobicContact CD2-CD2 4.37Å; F360-L374 HydrophobicContact CE2-CD2 3.84Å; F360-L374 HydrophobicContact CZ-CD2 4.37Å; F360-L376 HydrophobicContact CE2-CD1 4.23Å; F360-L376 HydrophobicContact CE2-CD2 3.91Å; F360-L376 HydrophobicContact CZ-CD1 3.92Å; F360-L376 HydrophobicContact CZ-CD2 4.37Å
361	Q	94.3	Very high	92	Very high	76 Å²	76	45.7 Å²	45.7	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-57	-42.3	176.9	-76.7	169.4	-13.1	0	0	111.6	L79 P357 A358 Y364 R365	L79-Q361 HydrophobicContact CD2-CG 3.92Å; P357-Q361 VanDerWaalsContact O-CG 3.29Å; P357-Q361 WeakPolarHBondContact O-CG 3.36Å; P357-Q361 PolarHBondContact O-N 2.77Å; A358-Q361 PolarHBondContact O-N 2.96Å; Q361-Y364 PolarHBondContact O-N 3.47Å; Q361-R365 PolarHBondContact O-N 3.05Å
362	L	96.5	Very high	93.3	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-46.4	176.3	179.5	58	0	0	0	111.8	W289 K292 L294 A358 E359 F360 Y364 R365 M366	W289-L362 HydrophobicContact CE3-CD2 3.56Å; W289-L362 HydrophobicContact CZ3-CD2 3.55Å; W289-L362 HydrophobicContact CZ3-CG 4.33Å; K292-L362 HydrophobicContact CB-CD1 4.34Å; K292-L362 HydrophobicContact CB-CD2 4.03Å; L294-L362 HydrophobicContact CB-CD2 4.01Å; L294-L362 HydrophobicContact CD2-CD2 3.88Å; A358-L362 PolarHBondContact O-N 3.04Å; A358-L362 VanDerWaalsContact O-N 3.09Å; E359-L362 PolarHBondContact O-N 3.23Å; F360-L362 VanDerWaalsContact C-N 3.26Å; F360-L362 PolarHBondContact O-N 2.68Å; L362-Y364 VanDerWaalsContact C-N 3.31Å; L362-Y364 PolarHBondContact O-N 3.36Å; L362-R365 PolarHBondContact O-N 3.01Å; L362-M366 HydrophobicContact CD1-SD 4.42Å; L362-M366 HydrophobicContact CG-SD 4.12Å; L362-M366 VanDerWaalsContact O-CG 3.25Å; L362-M366 WeakPolarHBondContact O-CG 3.35Å; L362-M366 PolarHBondContact O-N 3Å
363	L	98.1	Very high	94.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-35.4	177.7	-67.6	172.8	0	0	0	112.3	L318 F321 E359 F360 M366 H367 L374	L318-L363 HydrophobicContact CD1-CB 4.43Å; L318-L363 HydrophobicContact CD1-CD1 4.23Å; L318-L363 HydrophobicContact CD1-CD2 3.89Å; L318-L363 HydrophobicContact CD1-CG 4.41Å; F321-L363 HydrophobicContact CD1-CD1 3.53Å; F321-L363 HydrophobicContact CE1-CD1 3.97Å; F321-L363 HydrophobicContact CG-CD1 4.36Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.37Å; E359-L363 PolarHBondContact O-N 3.44Å; F360-L363 PolarHBondContact O-N 3.47Å; L363-M366 HydrophobicContact CD2-CE 4.32Å; L363-M366 HydrophobicContact CD2-SD 4.23Å; L363-M366 PolarHBondContact O-N 3.07Å; L363-H367 PolarHBondContact O-N 3.41Å; L363-L374 HydrophobicContact CB-CD2 4.48Å
364	Y	96.1	Very high	95.4	Very high	42 Å²	42	35.1 Å²	35.1	17%	0.165	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-41.7	175.4	-175.4	-99.3	0	0	0	111.6	L79 E82 L83 F360 Q361 L362 M366 H367 G368 L374 L376	L79-Y364 HydrophobicContact CD1-CD1 3.53Å; L79-Y364 HydrophobicContact CD1-CE1 3.8Å; L79-Y364 HydrophobicContact CD1-CG 4.12Å; E82-Y364 HydrophobicContact CB-CE1 4.02Å; E82-Y364 PolarHBondContact O-OH 2.63Å; E82-Y364 WeakPolarHBondContact OE2-CE1 3.35Å; L83-Y364 HydrophobicContact CD2-CD2 4.34Å; L83-Y364 HydrophobicContact CD2-CE2 3.65Å; F360-Y364 HydrophobicContact CZ-CD2 4.37Å; F360-Y364 VanDerWaalsContact O-CB 3.3Å; F360-Y364 WeakPolarHBondContact O-CB 3.44Å; F360-Y364 PolarHBondContact O-N 3.27Å; Q361-Y364 PolarHBondContact O-N 3.47Å; L362-Y364 VanDerWaalsContact C-N 3.31Å; L362-Y364 PolarHBondContact O-N 3.36Å; Y364-M366 PolarHBondContact O-N 3.45Å; Y364-H367 VanDerWaalsContact O-CB 3.3Å; Y364-H367 WeakPolarHBondContact O-CB 3.35Å; Y364-H367 PolarHBondContact O-N 3.03Å; Y364-H367 VanDerWaalsContact O-N 3.16Å; Y364-G368 PolarHBondContact O-N 3Å; Y364-G368 VanDerWaalsContact O-N 3.08Å; Y364-L374 HydrophobicContact CD2-CD2 4.23Å; Y364-L376 HydrophobicContact CD2-CD1 4.29Å; Y364-L376 HydrophobicContact CE2-CD1 4.37Å
365	R	95.9	Very high	96	Very high	120 Å²	120	34.1 Å²	34.1	45%	0.453	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-45.8	171.2	-172.8	-178.4	68.2	-161.7	-2.5	111.5	Q361 L362 H367 G368 E369	Q361-R365 PolarHBondContact O-N 3.05Å; L362-R365 PolarHBondContact O-N 3.01Å; R365-H367 PolarHBondContact O-N 3.34Å; R365-G368 PolarHBondContact O-N 3.47Å; R365-E369 WeakPolarHBondContact CG-OE1 3.49Å; R365-E369 IonicContact NE-OE1 2.76Å; R365-E369 WeakPolarHBondContact O-CG 3.33Å; R365-E369 PolarHBondContact O-N 3.45Å
366	M	97.9	Very high	96.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-31.7	176	-69.8	170.5	50.4	0	0	112.4	W289 Y306 L362 L363 Y364 E369 G370 L371 T372	W289-M366 HydrophobicContact CH2-SD 4.39Å; W289-M366 HydrophobicContact CZ3-SD 4.22Å; Y306-M366 HydrophobicContact CD1-CE 4.31Å; Y306-M366 HydrophobicContact CE1-CE 3.43Å; Y306-M366 VanDerWaalsContact CE1-CE 3.43Å; Y306-M366 HydrophobicContact CE2-CE 4.11Å; Y306-M366 WeakPolarHBondContact OH-CE 3.21Å; L362-M366 HydrophobicContact CD1-SD 4.42Å; L362-M366 HydrophobicContact CG-SD 4.12Å; L362-M366 VanDerWaalsContact O-CG 3.25Å; L362-M366 WeakPolarHBondContact O-CG 3.35Å; L362-M366 PolarHBondContact O-N 3Å; L363-M366 HydrophobicContact CD2-CE 4.32Å; L363-M366 HydrophobicContact CD2-SD 4.23Å; L363-M366 PolarHBondContact O-N 3.07Å; Y364-M366 PolarHBondContact O-N 3.45Å; M366-E369 PolarHBondContact O-N 2.99Å; M366-G370 PolarHBondContact O-N 3.11Å; M366-L371 HydrophobicContact CB-CB 4.19Å; M366-L371 HydrophobicContact CB-CD1 4.01Å; M366-L371 HydrophobicContact CG-CD1 3.85Å; M366-L371 WeakPolarHBondContact O-CB 3.43Å; M366-L371 PolarHBondContact O-N 3.4Å; M366-T372 HydrophobicContact CB-CG2 4.15Å; M366-T372 HydrophobicContact CE-CG2 4.33Å
367	H	96.9	Very high	96.3	Very high	32 Å²	32	33.2 Å²	33.2	15%	0.148	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-46.4	171.5	170.3	72.6	0	0	0	112.6	W90 L363 Y364 R365 E369 G370 T372 L374	W90-H367 AromaticContact CD1-CE1 3.08Å; W90-H367 AromaticContact CD1-ND1 3.2Å; W90-H367 AromaticContact CD1-NE2 3.85Å; W90-H367 AromaticContact CG-CE1 3.53Å; W90-H367 AromaticContact CG-ND1 3.95Å; W90-H367 AromaticContact NE1-CE1 3.75Å; W90-H367 AromaticContact NE1-ND1 3.37Å; W90-H367 PolarHBondContact NE1-ND1 2.93Å; W90-H367 PolarHBondContact NE1-O 3.18Å; W90-H367 VanDerWaalsContact NE1-O 3.15Å; L363-H367 PolarHBondContact O-N 3.41Å; Y364-H367 VanDerWaalsContact O-CB 3.3Å; Y364-H367 WeakPolarHBondContact O-CB 3.35Å; Y364-H367 PolarHBondContact O-N 3.03Å; Y364-H367 VanDerWaalsContact O-N 3.16Å; R365-H367 PolarHBondContact O-N 3.34Å; H367-E369 VanDerWaalsContact C-N 3.29Å; H367-E369 PolarHBondContact O-N 3.3Å; H367-G370 PolarHBondContact O-N 3.04Å; H367-T372 VanDerWaalsContact CA-O 3.26Å; H367-T372 WeakPolarHBondContact CA-O 3.45Å; H367-T372 PolarHBondContact ND1-O 3.15Å; H367-L374 HydrophobicContact CB-CB 3.81Å; H367-L374 PolarHBondContact ND1-N 3.46Å; H367-L374 VanDerWaalsContact ND1-N 3.14Å
368	G	94.9	Very high	96.5	Very high	70 Å²	70	37.9 Å²	37.9	72%	0.722	21%	0.205	S	C	*	.	H	α-helix	trans	-62.2	-33.7	174.8	0	0	0	0	0	113.6	Y364 R365 G370	Y364-G368 PolarHBondContact O-N 3Å; Y364-G368 VanDerWaalsContact O-N 3.08Å; R365-G368 PolarHBondContact O-N 3.47Å; G368-G370 PolarHBondContact O-N 3.46Å
369	E	96.5	Very high	96.6	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.3	174.7	-67.8	168	-170.9	0	0	113.4	R365 M366 H367 L371	R365-E369 WeakPolarHBondContact CG-OE1 3.49Å; R365-E369 IonicContact NE-OE1 2.76Å; R365-E369 WeakPolarHBondContact O-CG 3.33Å; R365-E369 PolarHBondContact O-N 3.45Å; M366-E369 PolarHBondContact O-N 2.99Å; H367-E369 VanDerWaalsContact C-N 3.29Å; H367-E369 PolarHBondContact O-N 3.3Å; E369-L371 VanDerWaalsContact C-N 3.33Å; E369-L371 HydrophobicContact CB-CD1 4.25Å; E369-L371 HydrophobicContact CB-CG 4.09Å; E369-L371 VanDerWaalsContact OE2-CD1 3.28Å; E369-L371 WeakPolarHBondContact OE2-CD1 3.29Å
370	G	97.4	Very high	96.2	Very high	4 Å²	4	44.5 Å²	44.5	4%	0.041	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	13.9	-179.3	0	0	0	0	0	114.5	T91 F92 N93 M366 H367 G368	T91-G370 WeakPolarHBondContact O-CA 3.4Å; F92-G370 VanDerWaalsContact CD2-O 3.27Å; F92-G370 WeakPolarHBondContact CD2-O 3.25Å; N93-G370 PolarHBondContact N-O 3.24Å; M366-G370 PolarHBondContact O-N 3.11Å; H367-G370 PolarHBondContact O-N 3.04Å; G368-G370 PolarHBondContact O-N 3.46Å
371	L	98.5	Very high	96.2	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	27%	0.271	C	S	.	.	S	Bend	trans	-75.3	-32.2	-178.9	-63.5	173.3	0	0	0	112.8	A96 F97 Q100 M366 E369	A96-L371 HydrophobicContact CB-CD2 3.5Å; A96-L371 VanDerWaalsContact CB-CD2 3.5Å; A96-L371 VanDerWaalsContact O-CD2 3.31Å; A96-L371 WeakPolarHBondContact O-CD2 3.33Å; F97-L371 HydrophobicContact CB-CD2 4.38Å; F97-L371 VanDerWaalsContact CD2-O 3.31Å; F97-L371 WeakPolarHBondContact CD2-O 3.41Å; F97-L371 VanDerWaalsContact N-CD2 3.35Å; Q100-L371 HydrophobicContact CB-CD2 4.32Å; M366-L371 HydrophobicContact CB-CB 4.19Å; M366-L371 HydrophobicContact CB-CD1 4.01Å; M366-L371 HydrophobicContact CG-CD1 3.85Å; M366-L371 WeakPolarHBondContact O-CB 3.43Å; M366-L371 PolarHBondContact O-N 3.4Å; E369-L371 VanDerWaalsContact C-N 3.33Å; E369-L371 HydrophobicContact CB-CD1 4.25Å; E369-L371 HydrophobicContact CB-CG 4.09Å; E369-L371 VanDerWaalsContact OE2-CD1 3.28Å; E369-L371 WeakPolarHBondContact OE2-CD1 3.29Å
372	T	98.7	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-154.3	149.4	-178.7	-172.8	0	0	0	0	110.5	W90 Y306 I316 L318 M366 H367	W90-T372 VanDerWaalsContact CZ2-C 3.46Å; W90-T372 PolarHBondContact NE1-O 3.34Å; Y306-T372 HydrophobicContact CE2-CG2 4.08Å; I316-T372 WeakPolarHBondContact O-CA 3.38Å; I316-T372 PolarHBondContact O-OG1 3.41Å; L318-T372 HydrophobicContact CD1-CG2 3.94Å; M366-T372 HydrophobicContact CB-CG2 4.15Å; M366-T372 HydrophobicContact CE-CG2 4.33Å; H367-T372 VanDerWaalsContact CA-O 3.26Å; H367-T372 WeakPolarHBondContact CA-O 3.45Å; H367-T372 PolarHBondContact ND1-O 3.15Å
373	K	98.4	Very high	96.2	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.4	175.2	-170.9	-174.4	172.9	-165.7	0	109.2	W90 E179 I316 H317 L318	W90-K373 HydrophobicContact CD2-CB 4Å; W90-K373 HydrophobicContact CD2-CG 3.97Å; W90-K373 HydrophobicContact CE3-CB 3.95Å; W90-K373 HydrophobicContact CE3-CD 4.05Å; W90-K373 HydrophobicContact CE3-CG 3.87Å; W90-K373 HydrophobicContact CH2-CB 3.74Å; W90-K373 HydrophobicContact CZ2-CB 3.8Å; W90-K373 HydrophobicContact CZ3-CB 3.82Å; W90-K373 HydrophobicContact CZ3-CD 4.19Å; W90-K373 HydrophobicContact CZ3-CG 4.17Å; E179-K373 IonicContact OE1-NZ 3.19Å; E179-K373 PolarHBondContact OE1-NZ 3.36Å; I316-K373 PolarHBondContact O-N 3.03Å; I316-K373 VanDerWaalsContact O-N 3.11Å; H317-K373 CarbonylContact C-O 3.53Å; H317-K373 WeakPolarHBondContact CA-O 3.34Å; H317-K373 HydrophobicContact CB-CB 4.32Å; H317-K373 VanDerWaalsContact CD2-CB 3.49Å; H317-K373 WeakPolarHBondContact CD2-CB 3.49Å; L318-K373 PolarHBondContact N-O 3.44Å
374	L	98.3	Very high	96.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108.7	174	-179.2	61	0	0	0	109.8	L318 F321 F360 L363 Y364 H367 L376	L318-L374 HydrophobicContact CB-CD1 3.8Å; L318-L374 HydrophobicContact CD1-CD1 4.23Å; F321-L374 HydrophobicContact CB-CD1 3.68Å; F360-L374 HydrophobicContact CD2-CD2 4.37Å; F360-L374 HydrophobicContact CE2-CD2 3.84Å; F360-L374 HydrophobicContact CZ-CD2 4.37Å; L363-L374 HydrophobicContact CB-CD2 4.48Å; Y364-L374 HydrophobicContact CD2-CD2 4.23Å; H367-L374 HydrophobicContact CB-CB 3.81Å; H367-L374 PolarHBondContact ND1-N 3.46Å; H367-L374 VanDerWaalsContact ND1-N 3.14Å; L374-L376 HydrophobicContact CD1-CD2 4.32Å; L374-L376 HydrophobicContact CD2-CD1 4.37Å; L374-L376 HydrophobicContact CD2-CD2 4.43Å; L374-L376 HydrophobicContact CG-CD1 4.43Å; L374-L376 HydrophobicContact CG-CD2 4.04Å; L374-L376 HydrophobicContact CG-CG 4.13Å
375	T	97.4	Very high	96.1	Very high	16 Å²	16	49.9 Å²	49.9	10%	0.098	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.7	-177.4	-58.5	0	0	0	0	110.9	L318 Y319	L318-T375 PolarHBondContact O-N 3.45Å; Y319-T375 HydrophobicContact CD1-CG2 3.93Å; Y319-T375 HydrophobicContact CE1-CG2 3.87Å; Y319-T375 WeakPolarHBondContact CE1-OG1 3.47Å
376	L	96.1	Very high	96.1	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.12	29%	0.292	C	S	.	.			trans	-125.6	15.9	-177	-56.6	177.5	0	0	0	113.4	L83 I170 W322 N329 F360 Y364 L374	L83-L376 HydrophobicContact CD2-CD1 3.91Å; I170-L376 HydrophobicContact CD1-CB 4.19Å; I170-L376 HydrophobicContact CD1-CD2 4.01Å; W322-L376 HydrophobicContact CE3-CD2 4.24Å; N329-L376 PolarHBondContact ND2-O 3.22Å; F360-L376 HydrophobicContact CE2-CD1 4.23Å; F360-L376 HydrophobicContact CE2-CD2 3.91Å; F360-L376 HydrophobicContact CZ-CD1 3.92Å; F360-L376 HydrophobicContact CZ-CD2 4.37Å; Y364-L376 HydrophobicContact CD2-CD1 4.29Å; Y364-L376 HydrophobicContact CE2-CD1 4.37Å; L374-L376 HydrophobicContact CD1-CD2 4.32Å; L374-L376 HydrophobicContact CD2-CD1 4.37Å; L374-L376 HydrophobicContact CD2-CD2 4.43Å; L374-L376 HydrophobicContact CG-CD1 4.43Å; L374-L376 HydrophobicContact CG-CD2 4.04Å; L374-L376 HydrophobicContact CG-CG 4.13Å
377	S	93.5	Very high	96	Very high	70 Å²	70	48.1 Å²	48.1	49%	0.49	31%	0.311	S	S	.	.	S	Bend	trans	-140.5	174.7	-178.2	66	0	0	0	0	110.6
378	H	95.6	Very high	96	Very high	121 Å²	121	49.4 Å²	49.4	56%	0.56	32%	0.323	S	S	*	.			trans	-61	146.9	170.4	-58.4	179.4	0	0	0	110.6	S174	S174-H378 CarbonylContact O-C 3.58Å; S174-H378 VanDerWaalsContact O-CA 3.28Å; S174-H378 WeakPolarHBondContact O-CA 3.1Å
379	C	95.4	Very high	96	Very high	20 Å²	20	47.7 Å²	47.7	14%	0.135	29%	0.29	C	S	.	.			trans	-88.7	160.6	172.6	-67	0	0	0	0	111	S174 C176 E179	S174-C379 PolarHBondContact O-N 3.47Å; C176-C379 WeakPolarHBondContact CA-SG 3.23Å; C176-C379 HydrophobicContact CB-CB 3.86Å; C176-C379 WeakPolarHBondContact CB-SG 3.44Å; C176-C379 WeakPolarHBondContact SG-CB 3.35Å; C176-C379 CovalentContact SG-SG 2.04Å; C176-C379 PolarHBondContact SG-SG 3.11Å; E179-C379 HydrophobicContact CB-CB 4.4Å
380	A	86.6	Confident	96	Very high	156 Å²	156	43.6 Å²	43.6	100%	1.289	28%	0.278	S	S	*	.			trans	-94	0	-175.4	0	0	0	0	0	113.5

Retrieved 380 of 380 residues in 2441.4 ms (Link to these results)

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