A0A061ACM7_CAEEL Loading...

Acid phosphatase-like protein 2

AlphaFold DB , UniProt , Accession A0A061ACM7, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 466 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	47	Very low	59.8	Low	245 Å²	245	157.8 Å²	157.8	100%	1.207	73%	0.728	S	S	*	*				0	109.3	0	-81.9	-177.9	173.1	0	0	109.6
2	P	44.3	Very low	60.9	Low	128 Å²	128	153.6 Å²	153.6	83%	0.831	71%	0.714	S	S	*	*			trans	-106.4	131.7	154.3	15.1	4.6	0	0	0	109.4	R4	P2-R4 PolarHBondContact O-N 3.47Å
3	R	51.2	Low	62.1	Low	245 Å²	245	148.2 Å²	148.2	93%	0.925	69%	0.693	S	S	*	*			trans	-67.5	126	-177.8	-81.8	175.5	167	162.7	-4.8	110.4	V5	R3-V5 PolarHBondContact O-N 2.75Å; R3-V5 VanDerWaalsContact O-N 3.16Å
4	R	57.3	Low	63.2	Low	239 Å²	239	143.4 Å²	143.4	90%	0.902	68%	0.678	S	S	*	*			trans	-62.4	109	167.1	-83.4	-179.4	173.8	176.1	-2.4	109	P2	P2-R4 PolarHBondContact O-N 3.47Å
5	V	54	Low	64.3	Low	87 Å²	87	139 Å²	139	53%	0.527	66%	0.664	S	S	.	*			trans	-67.7	123.1	168.7	178	0	0	0	0	107.5	R3 D9	R3-V5 PolarHBondContact O-N 2.75Å; R3-V5 VanDerWaalsContact O-N 3.16Å; V5-D9 HydrophobicContact CG1-CB 3.44Å; V5-D9 VanDerWaalsContact CG1-CB 3.44Å
6	R	68.3	Low	65.4	Low	193 Å²	193	135 Å²	135	73%	0.728	65%	0.647	S	S	*	*			trans	-80.7	153.2	-175.9	-67.6	-178.7	-176.4	-178.1	1.1	109	I8 D9	R6-I8 PolarHBondContact O-N 2.98Å; R6-D9 PolarHBondContact N-OD2 3.1Å; R6-D9 VanDerWaalsContact O-CB 3.27Å; R6-D9 WeakPolarHBondContact O-CB 3.3Å; R6-D9 PolarHBondContact O-N 3.41Å
7	L	61.7	Low	66.3	Low	140 Å²	140	136.2 Å²	136.2	73%	0.733	65%	0.649	S	S	*	*	H	α-helix	trans	-51	-28.9	179.7	-169.3	72.6	0	0	0	113.6	D9 W10 I11	L7-D9 VanDerWaalsContact C-N 3.32Å; L7-D9 PolarHBondContact O-N 2.84Å; L7-W10 PolarHBondContact O-N 3.3Å; L7-I11 PolarHBondContact O-N 3.06Å
8	I	64.9	Low	67	Low	124 Å²	124	134.2 Å²	134.2	64%	0.636	64%	0.641	S	S	*	*	H	α-helix	trans	-64.9	-34.7	175.3	-64.9	170.3	0	0	0	111.8	R6 W10 I11 L12	R6-I8 PolarHBondContact O-N 2.98Å; I8-W10 VanDerWaalsContact C-N 3.31Å; I8-W10 PolarHBondContact O-N 2.98Å; I8-I11 PolarHBondContact O-N 3.49Å; I8-L12 WeakPolarHBondContact O-CB 3.48Å; I8-L12 PolarHBondContact O-N 2.84Å
9	D	66.8	Low	67.5	Low	68 Å²	68	130.6 Å²	130.6	36%	0.364	63%	0.629	S	S	.	*	H	α-helix	trans	-69.7	-31.2	179.2	-55.4	-34.1	0	0	0	111.1	V5 R6 L7 L13	V5-D9 HydrophobicContact CG1-CB 3.44Å; V5-D9 VanDerWaalsContact CG1-CB 3.44Å; R6-D9 PolarHBondContact N-OD2 3.1Å; R6-D9 VanDerWaalsContact O-CB 3.27Å; R6-D9 WeakPolarHBondContact O-CB 3.3Å; R6-D9 PolarHBondContact O-N 3.41Å; L7-D9 VanDerWaalsContact C-N 3.32Å; L7-D9 PolarHBondContact O-N 2.84Å; D9-L13 WeakPolarHBondContact O-CB 3.28Å; D9-L13 WeakPolarHBondContact O-CG 3.36Å; D9-L13 PolarHBondContact O-N 3.46Å
10	W	68.9	Low	67.9	Low	161 Å²	161	128.5 Å²	128.5	61%	0.61	62%	0.62	S	S	*	*	H	α-helix	trans	-71	-39.3	173.3	-83.7	102.2	0	0	0	112.5	L7 I8 L12 L13 V14	L7-W10 PolarHBondContact O-N 3.3Å; I8-W10 VanDerWaalsContact C-N 3.31Å; I8-W10 PolarHBondContact O-N 2.98Å; W10-L12 VanDerWaalsContact C-N 3.35Å; W10-L13 PolarHBondContact O-N 3.38Å; W10-V14 VanDerWaalsContact O-CG2 3.31Å; W10-V14 WeakPolarHBondContact O-CG2 3.49Å; W10-V14 PolarHBondContact O-N 2.73Å
11	I	73.8	Confident	68.3	Low	106 Å²	106	129.2 Å²	129.2	54%	0.544	62%	0.617	S	S	.	*	H	α-helix	trans	-66.3	-41.9	175.5	-64.2	168.8	0	0	0	109.9	L7 I8 L13 V14 V15	L7-I11 PolarHBondContact O-N 3.06Å; I8-I11 PolarHBondContact O-N 3.49Å; I11-L13 PolarHBondContact O-N 3.48Å; I11-V14 PolarHBondContact O-N 3.43Å; I11-V15 WeakPolarHBondContact O-CG2 3.12Å; I11-V15 PolarHBondContact O-N 3.47Å
12	L	73.3	Confident	69.3	Low	107 Å²	107	120.8 Å²	120.8	56%	0.56	58%	0.58	S	S	*	*	H	α-helix	trans	-62.8	-42.2	176.2	-156.3	85.4	0	0	0	111.4	I8 W10 V14 V15 I16	I8-L12 WeakPolarHBondContact O-CB 3.48Å; I8-L12 PolarHBondContact O-N 2.84Å; W10-L12 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.28Å; L12-V15 PolarHBondContact O-N 3.25Å; L12-I16 HydrophobicContact CD2-CD1 4.13Å; L12-I16 HydrophobicContact CG-CD1 4.07Å; L12-I16 WeakPolarHBondContact O-CB 3.22Å; L12-I16 WeakPolarHBondContact O-CD1 3.41Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 2.92Å
13	L	75.7	Confident	70.5	Confident	84 Å²	84	118.7 Å²	118.7	44%	0.44	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-39.7	175.8	-84	165.7	0	0	0	112.8	D9 W10 I11 I16 F17	D9-L13 WeakPolarHBondContact O-CB 3.28Å; D9-L13 WeakPolarHBondContact O-CG 3.36Å; D9-L13 PolarHBondContact O-N 3.46Å; W10-L13 PolarHBondContact O-N 3.38Å; I11-L13 PolarHBondContact O-N 3.48Å; L13-I16 PolarHBondContact O-N 3.44Å; L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 PolarHBondContact O-N 2.99Å
14	V	77.9	Confident	71.2	Confident	80 Å²	80	112 Å²	112	49%	0.485	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-41.8	176.5	170.6	0	0	0	0	111.1	W10 I11 L12 F17 I18	W10-V14 VanDerWaalsContact O-CG2 3.31Å; W10-V14 WeakPolarHBondContact O-CG2 3.49Å; W10-V14 PolarHBondContact O-N 2.73Å; I11-V14 PolarHBondContact O-N 3.43Å; L12-V14 PolarHBondContact O-N 3.28Å; V14-F17 PolarHBondContact O-N 2.94Å; V14-I18 HydrophobicContact CG1-CD1 3.83Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.31Å; V14-I18 PolarHBondContact O-N 3.24Å
15	V	79.4	Confident	71.1	Confident	78 Å²	78	105.6 Å²	105.6	47%	0.473	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175.2	173	0	0	0	0	110.6	I11 L12 F17 I18 T19	I11-V15 WeakPolarHBondContact O-CG2 3.12Å; I11-V15 PolarHBondContact O-N 3.47Å; L12-V15 PolarHBondContact O-N 3.25Å; V15-F17 VanDerWaalsContact C-N 3.35Å; V15-F17 PolarHBondContact O-N 3Å; V15-I18 PolarHBondContact O-N 3.26Å; V15-T19 WeakPolarHBondContact O-CB 3.36Å; V15-T19 PolarHBondContact O-N 3.21Å; V15-T19 PolarHBondContact O-OG1 3.24Å
16	I	81.8	Confident	70.7	Confident	75 Å²	75	106.3 Å²	106.3	39%	0.385	52%	0.524	S	S	.	.	H	α-helix	trans	-62.2	-42.8	174.3	-70.7	164.9	0	0	0	110.5	L12 L13 T19 I20	L12-I16 HydrophobicContact CD2-CD1 4.13Å; L12-I16 HydrophobicContact CG-CD1 4.07Å; L12-I16 WeakPolarHBondContact O-CB 3.22Å; L12-I16 WeakPolarHBondContact O-CD1 3.41Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 2.92Å; L13-I16 PolarHBondContact O-N 3.44Å; I16-T19 PolarHBondContact O-N 2.97Å; I16-I20 HydrophobicContact CG2-CD1 3.53Å; I16-I20 HydrophobicContact CG2-CG1 4.22Å; I16-I20 WeakPolarHBondContact O-CB 3.4Å; I16-I20 VanDerWaalsContact O-CG1 3.22Å; I16-I20 WeakPolarHBondContact O-CG1 3.5Å; I16-I20 PolarHBondContact O-N 2.99Å
17	F	80.6	Confident	69.6	Low	155 Å²	155	103.6 Å²	103.6	68%	0.68	52%	0.519	S	S	*	.	H	α-helix	trans	-64.4	-42	176.6	-112.6	-85.6	0	0	0	112.8	L13 V14 V15 T19 Y21	L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 PolarHBondContact O-N 2.99Å; V14-F17 PolarHBondContact O-N 2.94Å; V15-F17 VanDerWaalsContact C-N 3.35Å; V15-F17 PolarHBondContact O-N 3Å; F17-T19 VanDerWaalsContact C-N 3.35Å; F17-Y21 WeakPolarHBondContact O-CB 3.45Å; F17-Y21 PolarHBondContact O-N 2.92Å
18	I	79.4	Confident	68.6	Low	100 Å²	100	101 Å²	101	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175.6	-68.3	167.7	0	0	0	110	V14 V15 Y21 T22	V14-I18 HydrophobicContact CG1-CD1 3.83Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.31Å; V14-I18 PolarHBondContact O-N 3.24Å; V15-I18 PolarHBondContact O-N 3.26Å; I18-Y21 PolarHBondContact O-N 2.9Å; I18-T22 WeakPolarHBondContact O-CB 3.23Å; I18-T22 PolarHBondContact O-N 3.37Å; I18-T22 PolarHBondContact O-OG1 3.47Å
19	T	75.9	Confident	67.4	Low	67 Å²	67	101.2 Å²	101.2	41%	0.411	52%	0.515	S	S	.	.	H	α-helix	trans	-67.9	-43.8	179	-47.9	0	0	0	0	110.9	V15 I16 F17 T22 I23	V15-T19 WeakPolarHBondContact O-CB 3.36Å; V15-T19 PolarHBondContact O-N 3.21Å; V15-T19 PolarHBondContact O-OG1 3.24Å; I16-T19 PolarHBondContact O-N 2.97Å; F17-T19 VanDerWaalsContact C-N 3.35Å; T19-T22 PolarHBondContact O-N 3.11Å; T19-I23 HydrophobicContact CG2-CD1 3.93Å; T19-I23 WeakPolarHBondContact O-CB 3.47Å; T19-I23 WeakPolarHBondContact O-CG1 3.43Å; T19-I23 PolarHBondContact O-N 2.87Å
20	I	76.4	Confident	65.8	Low	88 Å²	88	104.1 Å²	104.1	45%	0.451	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-40.9	174.6	-69.4	171.6	0	0	0	110.7	I16 T22 I23 L24	I16-I20 HydrophobicContact CG2-CD1 3.53Å; I16-I20 HydrophobicContact CG2-CG1 4.22Å; I16-I20 WeakPolarHBondContact O-CB 3.4Å; I16-I20 VanDerWaalsContact O-CG1 3.22Å; I16-I20 WeakPolarHBondContact O-CG1 3.5Å; I16-I20 PolarHBondContact O-N 2.99Å; I20-T22 VanDerWaalsContact C-N 3.35Å; I20-I23 PolarHBondContact O-N 3.13Å; I20-L24 HydrophobicContact CG2-CD1 3.6Å; I20-L24 HydrophobicContact CG2-CG 4.12Å; I20-L24 VanDerWaalsContact O-CB 3.26Å; I20-L24 WeakPolarHBondContact O-CB 3.42Å; I20-L24 VanDerWaalsContact O-CG 3.24Å; I20-L24 WeakPolarHBondContact O-CG 3.31Å; I20-L24 PolarHBondContact O-N 3.46Å
21	Y	75	Confident	64	Low	143 Å²	143	105.3 Å²	105.3	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-63.8	-40.6	175.1	-179.5	-102.1	0	0	0	111.5	F17 I18 H25	F17-Y21 WeakPolarHBondContact O-CB 3.45Å; F17-Y21 PolarHBondContact O-N 2.92Å; I18-Y21 PolarHBondContact O-N 2.9Å; Y21-H25 AromaticContact CZ-CD2 3.89Å; Y21-H25 AromaticContact CZ-NE2 3.9Å; Y21-H25 WeakPolarHBondContact O-CB 3.49Å; Y21-H25 PolarHBondContact O-N 3.47Å; Y21-H25 PolarHBondContact OH-NE2 3.27Å
22	T	69.4	Low	61.8	Low	68 Å²	68	107.5 Å²	107.5	42%	0.417	56%	0.555	S	S	.	*	H	α-helix	trans	-70	-37.1	177.2	-46.7	0	0	0	0	111.5	I18 T19 I20 N26	I18-T22 WeakPolarHBondContact O-CB 3.23Å; I18-T22 PolarHBondContact O-N 3.37Å; I18-T22 PolarHBondContact O-OG1 3.47Å; T19-T22 PolarHBondContact O-N 3.11Å; I20-T22 VanDerWaalsContact C-N 3.35Å; T22-N26 WeakPolarHBondContact O-CB 3.44Å; T22-N26 PolarHBondContact O-N 3.49Å
23	I	68.6	Low	59.6	Low	85 Å²	85	111.8 Å²	111.8	44%	0.436	57%	0.572	S	S	.	*	H	α-helix	trans	-69.4	-45.2	174.7	-69.3	167.1	0	0	0	110.5	T19 I20 H25 N26 E27	T19-I23 HydrophobicContact CG2-CD1 3.93Å; T19-I23 WeakPolarHBondContact O-CB 3.47Å; T19-I23 WeakPolarHBondContact O-CG1 3.43Å; T19-I23 PolarHBondContact O-N 2.87Å; I20-I23 PolarHBondContact O-N 3.13Å; I23-H25 PolarHBondContact O-N 2.82Å; I23-N26 CarbonylContact O-C 3.57Å; I23-N26 PolarHBondContact O-N 2.93Å; I23-E27 HydrophobicContact CG2-CG 4.27Å; I23-E27 VanDerWaalsContact O-CB 3.25Å; I23-E27 WeakPolarHBondContact O-CB 3.41Å; I23-E27 WeakPolarHBondContact O-CG 3.5Å; I23-E27 PolarHBondContact O-N 3.07Å
24	L	66.2	Low	57.4	Low	105 Å²	105	112.6 Å²	112.6	55%	0.55	58%	0.58	S	S	.	*	H	α-helix	trans	-69.6	-29.8	178.4	-70.9	173.3	0	0	0	113.2	I20 S28	I20-L24 HydrophobicContact CG2-CD1 3.6Å; I20-L24 HydrophobicContact CG2-CG 4.12Å; I20-L24 VanDerWaalsContact O-CB 3.26Å; I20-L24 WeakPolarHBondContact O-CB 3.42Å; I20-L24 VanDerWaalsContact O-CG 3.24Å; I20-L24 WeakPolarHBondContact O-CG 3.31Å; I20-L24 PolarHBondContact O-N 3.46Å; L24-S28 PolarHBondContact O-N 2.68Å
25	H	54.5	Low	55	Low	103 Å²	103	114.2 Å²	114.2	48%	0.477	60%	0.595	S	S	.	*	H	α-helix	trans	-79.2	-31.7	169.6	-101.9	21.5	0	0	0	112.8	Y21 I23 S28	Y21-H25 AromaticContact CZ-CD2 3.89Å; Y21-H25 AromaticContact CZ-NE2 3.9Å; Y21-H25 WeakPolarHBondContact O-CB 3.49Å; Y21-H25 PolarHBondContact O-N 3.47Å; Y21-H25 PolarHBondContact OH-NE2 3.27Å; I23-H25 PolarHBondContact O-N 2.82Å; H25-S28 PolarHBondContact O-OG 3.34Å
26	N	46.8	Very low	52.6	Low	102 Å²	102	117.1 Å²	117.1	55%	0.545	61%	0.608	S	S	.	*	H	α-helix	trans	-76.8	-23	172.5	-89.8	-4.3	0	0	0	113.3	T22 I23	T22-N26 WeakPolarHBondContact O-CB 3.44Å; T22-N26 PolarHBondContact O-N 3.49Å; I23-N26 CarbonylContact O-C 3.57Å; I23-N26 PolarHBondContact O-N 2.93Å
27	E	44.2	Very low	50	Low	136 Å²	136	118.9 Å²	118.9	64%	0.636	62%	0.622	S	S	*	*	S	Bend	trans	-85.3	-11.9	174.6	-78.6	-176.9	163.1	0	0	112.8	I23 D29	I23-E27 HydrophobicContact CG2-CG 4.27Å; I23-E27 VanDerWaalsContact O-CB 3.25Å; I23-E27 WeakPolarHBondContact O-CB 3.41Å; I23-E27 WeakPolarHBondContact O-CG 3.5Å; I23-E27 PolarHBondContact O-N 3.07Å; E27-D29 VanDerWaalsContact C-N 3.32Å
28	S	40.3	Very low	47.5	Very low	85 Å²	85	119.9 Å²	119.9	59%	0.594	63%	0.629	S	S	*	*	S	Bend	trans	-83.9	-8.3	166.4	82.1	0	0	0	0	113.7	L24 H25	L24-S28 PolarHBondContact O-N 2.68Å; H25-S28 PolarHBondContact O-OG 3.34Å
29	D	40.7	Very low	45.2	Very low	129 Å²	129	122.2 Å²	122.2	69%	0.69	64%	0.641	S	S	*	*	S	Bend	trans	-109.7	10.6	-176.5	-79.5	-2.2	0	0	0	113.5	E27	E27-D29 VanDerWaalsContact C-N 3.32Å
30	N	34	Very low	43	Very low	130 Å²	130	127.4 Å²	127.4	70%	0.695	66%	0.661	S	S	*	*	S	Bend	trans	-128.8	126.2	174.9	-80	-46.8	0	0	0	113.2
31	E	29.6	Very low	40.8	Very low	186 Å²	186	132.2 Å²	132.2	87%	0.869	68%	0.679	S	S	*	*			trans	78.4	92.8	170.4	-60.7	-173.1	170.4	0	0	117.7
32	I	28.4	Very low	38.7	Very low	152 Å²	152	128.5 Å²	128.5	78%	0.779	67%	0.672	S	S	*	*				-142.2	95.8	89.3	-52.6	-171.7	0	0	0	107.8	T34	I32-T34 HydrophobicContact CG2-CG2 3.85Å; I32-T34 PolarHBondContact O-N 3.1Å
33	E	26.4	Very low	36.8	Very low	197 Å²	197	133.4 Å²	133.4	92%	0.921	69%	0.694	S	S	*	*			trans	-66.6	83.5	155.5	-111	-176.3	172.7	0	0	107.2	S35	E33-S35 PolarHBondContact O-N 2.98Å
34	T	29.7	Very low	35.7	Very low	100 Å²	100	132.9 Å²	132.9	61%	0.613	69%	0.687	S	S	*	*			trans	-64.2	118.8	148.9	46.1	0	0	0	0	104.7	I32 D36	I32-T34 HydrophobicContact CG2-CG2 3.85Å; I32-T34 PolarHBondContact O-N 3.1Å; T34-D36 PolarHBondContact O-N 2.87Å
35	S	28.8	Very low	34.7	Very low	115 Å²	115	136 Å²	136	80%	0.804	70%	0.696	S	S	*	*			trans	-62.8	70.2	166.6	43.9	0	0	0	0	109.6	E33 V37	E33-S35 PolarHBondContact O-N 2.98Å; S35-V37 PolarHBondContact O-N 3.22Å
36	D	27.1	Very low	34.4	Very low	138 Å²	138	139.8 Å²	139.8	74%	0.738	71%	0.711	S	S	*	*			trans	-65.2	99.7	150.1	-106.3	-14.2	0	0	0	103.9	T34 Q38	T34-D36 PolarHBondContact O-N 2.87Å; D36-Q38 PolarHBondContact O-N 2.83Å
37	V	28.1	Very low	34.8	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.685	72%	0.715	S	S	*	*			trans	-51.5	92.1	154.6	177.7	0	0	0	0	104.6	S35 L39	S35-V37 PolarHBondContact O-N 3.22Å; V37-L39 HydrophobicContact CG1-CD1 4.25Å; V37-L39 PolarHBondContact O-N 2.79Å
38	Q	27.5	Very low	36.4	Very low	176 Å²	176	135.9 Å²	135.9	82%	0.822	69%	0.69	S	S	*	*			trans	-57.8	93.7	159.3	-80.9	-168.3	-5.3	0	0	103.5	D36 E40	D36-Q38 PolarHBondContact O-N 2.83Å; Q38-E40 PolarHBondContact O-N 3.39Å
39	L	32.5	Very low	38.7	Very low	148 Å²	148	131.9 Å²	131.9	78%	0.775	66%	0.662	S	S	*	*			trans	-58.1	94.1	166.5	-142.7	90.5	0	0	0	103.2	V37 K41	V37-L39 HydrophobicContact CG1-CD1 4.25Å; V37-L39 PolarHBondContact O-N 2.79Å; L39-K41 PolarHBondContact O-N 3.33Å
40	E	28.1	Very low	41.2	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	64%	0.641	S	S	*	*			trans	-44.7	114.3	174.5	-81.4	-173.4	150.1	0	0	105.6	Q38 P42	Q38-E40 PolarHBondContact O-N 3.39Å; E40-P42 WeakPolarHBondContact O-CD 3.02Å
41	K	31	Very low	43.8	Very low	190 Å²	190	125.3 Å²	125.3	83%	0.826	62%	0.62	S	S	*	*			trans	-57.8	112.7	177.8	-79.2	-178.5	-179.3	175.3	0	105.3	L39 I43	L39-K41 PolarHBondContact O-N 3.33Å; K41-I43 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact O-N 3.15Å
42	P	30.3	Very low	46.9	Very low	64 Å²	64	116.8 Å²	116.8	42%	0.416	58%	0.58	S	S	.	*			trans	-62	125.8	-171.6	18.8	-29.3	0	0	0	109.6	E40 W44	E40-P42 WeakPolarHBondContact O-CD 3.02Å; P42-W44 HydrophobicContact CB-CD2 3.85Å; P42-W44 HydrophobicContact CB-CE3 3.76Å; P42-W44 HydrophobicContact CB-CH2 3.21Å; P42-W44 HydrophobicContact CB-CZ2 3.36Å; P42-W44 HydrophobicContact CB-CZ3 3.34Å; P42-W44 HydrophobicContact CG-CD2 4.13Å; P42-W44 HydrophobicContact CG-CE3 4.44Å; P42-W44 HydrophobicContact CG-CH2 3.34Å; P42-W44 HydrophobicContact CG-CZ2 2.98Å; P42-W44 HydrophobicContact CG-CZ3 4Å; P42-W44 PolarHBondContact O-N 2.89Å
43	I	30.8	Very low	50.1	Low	171 Å²	171	109.6 Å²	109.6	88%	0.877	54%	0.543	S	S	*	.			trans	-77.6	93.8	178.1	-57.8	173.7	0	0	0	106.9	K41	K41-I43 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact O-N 3.15Å
44	W	44.1	Very low	53.3	Low	75 Å²	75	102.5 Å²	102.5	28%	0.284	51%	0.51	S	S	.	.			trans	-80.7	135	178.9	-49.2	122.6	0	0	0	111.2	P42	P42-W44 HydrophobicContact CB-CD2 3.85Å; P42-W44 HydrophobicContact CB-CE3 3.76Å; P42-W44 HydrophobicContact CB-CH2 3.21Å; P42-W44 HydrophobicContact CB-CZ2 3.36Å; P42-W44 HydrophobicContact CB-CZ3 3.34Å; P42-W44 HydrophobicContact CG-CD2 4.13Å; P42-W44 HydrophobicContact CG-CE3 4.44Å; P42-W44 HydrophobicContact CG-CH2 3.34Å; P42-W44 HydrophobicContact CG-CZ2 2.98Å; P42-W44 HydrophobicContact CG-CZ3 4Å; P42-W44 PolarHBondContact O-N 2.89Å
45	K	45.5	Very low	56.5	Low	171 Å²	171	98.7 Å²	98.7	74%	0.743	49%	0.485	S	S	*	.			trans	-69.5	141.5	163.1	-70.5	-175.2	179.4	180	0	108.4	E47 D48	K45-E47 PolarHBondContact O-N 3.5Å; K45-D48 VanDerWaalsContact O-CB 3.31Å; K45-D48 WeakPolarHBondContact O-CB 3.38Å; K45-D48 PolarHBondContact O-N 2.99Å
46	K	47.9	Very low	59.6	Low	181 Å²	181	93.4 Å²	93.4	79%	0.787	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.6	-171.8	-163.2	175.6	177.9	-177.9	0	114.3
47	E	55.6	Low	62.8	Low	138 Å²	138	90.8 Å²	90.8	65%	0.645	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	15	176.3	-55.8	84.1	-159	0	0	114.7	K45	K45-E47 PolarHBondContact O-N 3.5Å
48	D	77.4	Confident	65.7	Low	19 Å²	19	88.9 Å²	88.9	10%	0.102	42%	0.415	C	S	.	.			trans	-76.3	133.1	177.1	-167.5	-43.1	0	0	0	111.8	K45 R50 E51	K45-D48 VanDerWaalsContact O-CB 3.31Å; K45-D48 WeakPolarHBondContact O-CB 3.38Å; K45-D48 PolarHBondContact O-N 2.99Å; D48-R50 PolarHBondContact O-N 3.34Å; D48-R50 WeakPolarHBondContact OD1-CB 3.28Å; D48-R50 WeakPolarHBondContact OD1-CG 3.37Å; D48-R50 IonicContact OD1-CZ 3.17Å; D48-R50 PolarHBondContact OD1-N 2.75Å; D48-R50 IonicContact OD1-NE 3.03Å; D48-R50 PolarHBondContact OD1-NE 3.36Å; D48-R50 VanDerWaalsContact OD1-NE 3.15Å; D48-R50 IonicContact OD2-CZ 2.63Å; D48-R50 IonicContact OD2-NE 2.98Å; D48-R50 PolarHBondContact OD2-NE 3.05Å; D48-R50 IonicContact OD2-NH2 2.68Å; D48-R50 PolarHBondContact OD2-NH2 3.5Å; D48-E51 WeakPolarHBondContact O-CB 3.13Å; D48-E51 PolarHBondContact O-N 3.07Å
49	I	89.3	Confident	68.8	Low	1 Å²	1	88.2 Å²	88.2	1%	0.005	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-49.5	-27.1	173.7	-176.3	163.7	0	0	0	113.4	E51 M52 L291 I295 L311 F314 N315 I318	I49-E51 PolarHBondContact O-N 3.29Å; I49-M52 HydrophobicContact CG1-CG 4.24Å; I49-M52 HydrophobicContact CG1-SD 4.04Å; I49-M52 WeakPolarHBondContact O-CA 3.46Å; I49-M52 WeakPolarHBondContact O-CB 2.92Å; I49-M52 VanDerWaalsContact O-CG 3.3Å; I49-M52 WeakPolarHBondContact O-CG 3.21Å; I49-M52 PolarHBondContact O-N 2.96Å; I49-L291 HydrophobicContact CD1-CD2 3.88Å; I49-L291 HydrophobicContact CD1-CG 4.39Å; I49-L291 HydrophobicContact CG1-CD2 3.72Å; I49-I295 HydrophobicContact CD1-CD1 3.45Å; I49-I295 VanDerWaalsContact CD1-CD1 3.45Å; I49-I295 HydrophobicContact CG1-CD1 3.87Å; I49-I295 HydrophobicContact CG2-CD1 3.97Å; I49-L311 HydrophobicContact CG2-CB 4.18Å; I49-L311 HydrophobicContact CG2-CD2 3.76Å; I49-F314 HydrophobicContact CB-CB 4.25Å; I49-F314 HydrophobicContact CD1-CB 3.29Å; I49-F314 HydrophobicContact CD1-CD1 3.78Å; I49-F314 HydrophobicContact CD1-CD2 4.34Å; I49-F314 HydrophobicContact CD1-CG 3.57Å; I49-F314 HydrophobicContact CG1-CB 4.3Å; I49-F314 HydrophobicContact CG2-CB 4.15Å; I49-N315 WeakPolarHBondContact CB-OD1 3.25Å; I49-N315 PolarHBondContact N-OD1 3.45Å; I49-I318 HydrophobicContact CB-CD1 3.77Å; I49-I318 HydrophobicContact CD1-CD1 3.56Å; I49-I318 HydrophobicContact CG1-CD1 3.57Å
50	R	92.3	Very high	71.8	Confident	64 Å²	64	82.9 Å²	82.9	24%	0.242	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.1	175	-74	178.4	-76.2	-151	0.3	113.8	D48 M52 C53 F55 I295 L311	D48-R50 PolarHBondContact O-N 3.34Å; D48-R50 WeakPolarHBondContact OD1-CB 3.28Å; D48-R50 WeakPolarHBondContact OD1-CG 3.37Å; D48-R50 IonicContact OD1-CZ 3.17Å; D48-R50 PolarHBondContact OD1-N 2.75Å; D48-R50 IonicContact OD1-NE 3.03Å; D48-R50 PolarHBondContact OD1-NE 3.36Å; D48-R50 VanDerWaalsContact OD1-NE 3.15Å; D48-R50 IonicContact OD2-CZ 2.63Å; D48-R50 IonicContact OD2-NE 2.98Å; D48-R50 PolarHBondContact OD2-NE 3.05Å; D48-R50 IonicContact OD2-NH2 2.68Å; D48-R50 PolarHBondContact OD2-NH2 3.5Å; R50-M52 PolarHBondContact O-N 2.73Å; R50-C53 WeakPolarHBondContact O-CB 3.44Å; R50-C53 PolarHBondContact O-N 3.14Å; R50-F55 HydrophobicContact CB-CE2 4.2Å; R50-I295 HydrophobicContact CG-CG2 3.88Å; R50-L311 HydrophobicContact CG-CD1 4.37Å; R50-L311 HydrophobicContact CG-CD2 4.37Å; R50-L311 VanDerWaalsContact NH1-CD1 3.25Å
51	E	90.6	Very high	75	Confident	56 Å²	56	78.7 Å²	78.7	26%	0.262	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-60	-26.4	171.7	-73.2	-62	143.4	0	0	111.5	D48 I49 C53 Q54	D48-E51 WeakPolarHBondContact O-CB 3.13Å; D48-E51 PolarHBondContact O-N 3.07Å; I49-E51 PolarHBondContact O-N 3.29Å; E51-C53 PolarHBondContact O-N 2.9Å; E51-C53 VanDerWaalsContact O-N 3.14Å; E51-Q54 PolarHBondContact O-N 2.6Å; E51-Q54 PolarHBondContact O-NE2 3.38Å
52	M	93.9	Very high	78	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.039	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-62.1	-24.4	176.8	-58.8	-163.2	77.1	0	0	113.7	I49 R50 I287 L291 I318 P391 H393 Y394	I49-M52 HydrophobicContact CG1-CG 4.24Å; I49-M52 HydrophobicContact CG1-SD 4.04Å; I49-M52 WeakPolarHBondContact O-CA 3.46Å; I49-M52 WeakPolarHBondContact O-CB 2.92Å; I49-M52 VanDerWaalsContact O-CG 3.3Å; I49-M52 WeakPolarHBondContact O-CG 3.21Å; I49-M52 PolarHBondContact O-N 2.96Å; R50-M52 PolarHBondContact O-N 2.73Å; M52-I287 HydrophobicContact SD-CG2 4.25Å; M52-L291 HydrophobicContact CB-CD1 3.99Å; M52-L291 HydrophobicContact CB-CD2 3.8Å; M52-L291 HydrophobicContact CE-CD1 4.11Å; M52-L291 HydrophobicContact SD-CD1 3.99Å; M52-L291 HydrophobicContact SD-CD2 4.48Å; M52-I318 HydrophobicContact CG-CD1 4.47Å; M52-I318 HydrophobicContact SD-CD1 3.38Å; M52-I318 WeakPolarHBondContact SD-CD1 3.18Å; M52-I318 HydrophobicContact SD-CG1 4.18Å; M52-P391 HydrophobicContact CE-CG 3.86Å; M52-P391 WeakPolarHBondContact CE-O 3.47Å; M52-H393 HydrophobicContact CB-CB 4.28Å; M52-Y394 WeakPolarHBondContact O-CD2 3.2Å; M52-Y394 PolarHBondContact O-N 2.86Å
53	C	95.2	Very high	81.1	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-77.7	-27.6	-176.7	-63	0	0	0	0	113.4	R50 E51 F55 Q161 C296	R50-C53 WeakPolarHBondContact O-CB 3.44Å; R50-C53 PolarHBondContact O-N 3.14Å; E51-C53 PolarHBondContact O-N 2.9Å; E51-C53 VanDerWaalsContact O-N 3.14Å; C53-F55 HydrophobicContact CB-CD1 4.02Å; C53-F55 HydrophobicContact CB-CD2 4.18Å; C53-F55 HydrophobicContact CB-CE1 3.74Å; C53-F55 HydrophobicContact CB-CE2 3.89Å; C53-F55 HydrophobicContact CB-CG 4.24Å; C53-F55 HydrophobicContact CB-CZ 3.67Å; C53-F55 PolarHBondContact O-N 2.86Å; C53-Q161 PolarHBondContact O-NE2 3.19Å; C53-C296 WeakPolarHBondContact CA-SG 3.42Å; C53-C296 HydrophobicContact CB-CB 3.72Å; C53-C296 WeakPolarHBondContact CB-SG 3.16Å; C53-C296 WeakPolarHBondContact SG-CA 3.38Å; C53-C296 WeakPolarHBondContact SG-CB 3.43Å; C53-C296 PolarHBondContact SG-N 3.43Å; C53-C296 VanDerWaalsContact SG-N 3.39Å; C53-C296 CovalentContact SG-SG 2.05Å; C53-C296 PolarHBondContact SG-SG 2.87Å
54	Q	94.5	Very high	84.2	Confident	49 Å²	49	61.9 Å²	61.9	23%	0.229	29%	0.291	C	S	.	.			trans	48	57.5	-173.9	-64.7	-63.3	-69.9	0	0	112.1	E51 Q161 H393 Y394	E51-Q54 PolarHBondContact O-N 2.6Å; E51-Q54 PolarHBondContact O-NE2 3.38Å; Q54-Q161 PolarHBondContact O-NE2 2.51Å; Q54-H393 HydrophobicContact CG-CB 4.48Å; Q54-H393 WeakPolarHBondContact CG-ND1 3.47Å; Q54-Y394 WeakPolarHBondContact CG-O 3.4Å
55	F	95.3	Very high	86.4	Confident	20 Å²	20	58.4 Å²	58.4	9%	0.088	28%	0.279	C	S	.	.			trans	-52.3	143.6	-177.7	-70.7	-57.8	0	0	0	112.8	R50 C53 E57 H58 R298	R50-F55 HydrophobicContact CB-CE2 4.2Å; C53-F55 HydrophobicContact CB-CD1 4.02Å; C53-F55 HydrophobicContact CB-CD2 4.18Å; C53-F55 HydrophobicContact CB-CE1 3.74Å; C53-F55 HydrophobicContact CB-CE2 3.89Å; C53-F55 HydrophobicContact CB-CG 4.24Å; C53-F55 HydrophobicContact CB-CZ 3.67Å; C53-F55 PolarHBondContact O-N 2.86Å; F55-E57 WeakPolarHBondContact CB-OE2 3.4Å; F55-E57 PolarHBondContact O-N 3.44Å; F55-H58 WeakPolarHBondContact O-CB 3.49Å; F55-H58 PolarHBondContact O-N 3.07Å; F55-R298 VanDerWaalsContact CD1-NH2 3.25Å; F55-R298 HydrophobicContact CE1-CG 4.27Å
56	L	95.4	Very high	88.2	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-4.1	179.5	-62.5	176.7	0	0	0	112.9	H58 R108 D111 E157 L160 Q161 R164	L56-H58 VanDerWaalsContact C-N 3.31Å; L56-R108 PolarHBondContact O-NH2 3.25Å; L56-D111 HydrophobicContact CD1-CB 4Å; L56-D111 VanDerWaalsContact CD1-CG 3.48Å; L56-E157 HydrophobicContact CD1-CB 4.3Å; L56-E157 HydrophobicContact CD1-CG 4.29Å; L56-L160 HydrophobicContact CD1-CB 3.8Å; L56-L160 HydrophobicContact CD1-CD1 3.71Å; L56-L160 HydrophobicContact CD1-CG 4.44Å; L56-L160 HydrophobicContact CD2-CB 3.86Å; L56-Q161 HydrophobicContact CD2-CB 4.34Å; L56-Q161 HydrophobicContact CD2-CG 3.65Å; L56-Q161 HydrophobicContact CG-CG 4.47Å; L56-R164 PolarHBondContact O-NH1 3.4Å; L56-R164 PolarHBondContact O-NH2 2.89Å
57	E	93.1	Very high	89.1	Confident	83 Å²	83	46.5 Å²	46.5	39%	0.388	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-24.5	172.1	-67.8	80.6	163.9	0	0	110.6	F55 R108 R298	F55-E57 WeakPolarHBondContact CB-OE2 3.4Å; F55-E57 PolarHBondContact O-N 3.44Å; E57-R108 IonicContact OE1-NE 2.92Å; E57-R298 IonicContact OE1-CZ 3.65Å; E57-R298 IonicContact OE1-NE 3.82Å; E57-R298 IonicContact OE1-NH2 2.75Å; E57-R298 PolarHBondContact OE1-NH2 2.81Å; E57-R298 IonicContact OE2-NH2 2.67Å; E57-R298 PolarHBondContact OE2-NH2 3.47Å
58	H	90.5	Very high	89.2	Confident	73 Å²	73	45 Å²	45	34%	0.338	22%	0.219	S	C	.	.	S	Bend	trans	-86.1	135.6	177.3	-58.3	155.4	0	0	0	110.7	F55 L56	F55-H58 WeakPolarHBondContact O-CB 3.49Å; F55-H58 PolarHBondContact O-N 3.07Å; L56-H58 VanDerWaalsContact C-N 3.31Å
59	E	91.8	Very high	88	Confident	162 Å²	162	48.4 Å²	48.4	76%	0.757	24%	0.241	S	C	*	.			trans	-74.5	140.5	173.8	-170.5	174.6	-172	0	0	110.3	T61	E59-T61 HydrophobicContact CB-CG2 4.41Å; E59-T61 HydrophobicContact CG-CG2 4.43Å; E59-T61 PolarHBondContact O-N 3.41Å
60	V	95.4	Very high	85.9	Confident	37 Å²	37	55.9 Å²	55.9	22%	0.224	27%	0.273	C	S	.	.			trans	-73.2	115.3	170.4	-177.3	0	0	0	0	108	R164 L165 Y168	V60-R164 HydrophobicContact CG2-CB 4.01Å; V60-L165 HydrophobicContact CG1-CD1 3.67Å; V60-Y168 HydrophobicContact CB-CG 4.2Å; V60-Y168 HydrophobicContact CG1-CD1 3.75Å; V60-Y168 HydrophobicContact CG1-CD2 4.22Å; V60-Y168 HydrophobicContact CG1-CE1 4.46Å; V60-Y168 HydrophobicContact CG1-CG 3.66Å; V60-Y168 WeakPolarHBondContact O-CD2 3.46Å
61	T	94.9	Very high	83.9	Confident	87 Å²	87	56.1 Å²	56.1	53%	0.534	30%	0.296	S	S	.	.			trans	-119.4	164.7	179.9	60.4	0	0	0	0	111.4	E59 R397	E59-T61 HydrophobicContact CB-CG2 4.41Å; E59-T61 HydrophobicContact CG-CG2 4.43Å; E59-T61 PolarHBondContact O-N 3.41Å; T61-R397 PolarHBondContact O-NH2 3.09Å
62	G	95.2	Very high	82.4	Confident	18 Å²	18	56.9 Å²	56.9	19%	0.186	30%	0.302	C	S	.	.			trans	160.5	172.1	177	0	0	0	0	0	114.7	E64 Y168 G418	G62-E64 WeakPolarHBondContact CA-OE2 3.44Å; G62-Y168 WeakPolarHBondContact CA-OH 3.42Å; G62-Y168 PolarHBondContact N-OH 3.26Å; G62-Y168 PolarHBondContact O-OH 3.34Å; G62-G418 CarbonylContact C-O 3.56Å; G62-G418 VanDerWaalsContact CA-O 3.27Å; G62-G418 WeakPolarHBondContact CA-O 3.27Å
63	E	95.1	Very high	80.8	Confident	54 Å²	54	63.4 Å²	63.4	25%	0.252	34%	0.336	S	S	.	.			trans	-96.1	7.6	-178.7	-64.4	158.1	-155.4	0	0	112.3	G65 D66 R413 L415 G418 R419 N420	E63-G65 PolarHBondContact O-N 2.97Å; E63-D66 VanDerWaalsContact CA-OD2 3.28Å; E63-D66 WeakPolarHBondContact CA-OD2 3.37Å; E63-D66 VanDerWaalsContact O-CB 3.24Å; E63-D66 WeakPolarHBondContact O-CB 2.82Å; E63-D66 PolarHBondContact O-N 3.2Å; E63-R413 VanDerWaalsContact O-CZ 3.28Å; E63-R413 PolarHBondContact O-NH1 2.98Å; E63-R413 PolarHBondContact O-NH2 3.17Å; E63-L415 HydrophobicContact CB-CD2 3.86Å; E63-G418 WeakPolarHBondContact CB-O 3.31Å; E63-G418 WeakPolarHBondContact CG-O 3.38Å; E63-G418 PolarHBondContact N-O 3.02Å; E63-R419 VanDerWaalsContact OE1-CD 3.23Å; E63-R419 WeakPolarHBondContact OE1-CD 3.13Å; E63-R419 IonicContact OE1-CZ 3.71Å; E63-R419 IonicContact OE1-NE 3.94Å; E63-R419 IonicContact OE1-NH1 2.74Å; E63-R419 PolarHBondContact OE1-NH1 2.99Å; E63-N420 WeakPolarHBondContact OE2-CB 3.48Å; E63-N420 PolarHBondContact OE2-N 2.91Å
64	E	95.3	Very high	79.2	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	135.5	176.9	-74.4	87.6	167.1	0	0	111.2	G62 D66 Y168 F169 R172 Y173 R397 V399 E401 L415 G418	G62-E64 WeakPolarHBondContact CA-OE2 3.44Å; E64-D66 PolarHBondContact O-N 2.96Å; E64-Y168 HydrophobicContact CB-CE1 4.21Å; E64-Y168 HydrophobicContact CG-CE1 4.42Å; E64-Y168 WeakPolarHBondContact OE2-CE1 3.35Å; E64-Y168 PolarHBondContact OE2-OH 3.38Å; E64-F169 HydrophobicContact CG-CE2 4.48Å; E64-F169 HydrophobicContact CG-CZ 4.14Å; E64-R172 VanDerWaalsContact O-CZ 3.27Å; E64-R172 PolarHBondContact O-NE 3.23Å; E64-Y173 HydrophobicContact CB-CE2 4.19Å; E64-R397 VanDerWaalsContact CD-NH2 3.31Å; E64-R397 IonicContact OE1-CZ 3.53Å; E64-R397 IonicContact OE1-NE 3.55Å; E64-R397 PolarHBondContact OE1-NE 3.29Å; E64-R397 IonicContact OE1-NH2 3.35Å; E64-R397 PolarHBondContact OE1-NH2 3.04Å; E64-R397 IonicContact OE2-NH2 2.82Å; E64-R397 PolarHBondContact OE2-NH2 3.17Å; E64-V399 HydrophobicContact CG-CB 4.45Å; E64-V399 HydrophobicContact CG-CG1 4.39Å; E64-V399 HydrophobicContact CG-CG2 4.04Å; E64-E401 WeakPolarHBondContact CA-OE1 3.23Å; E64-L415 HydrophobicContact CG-CD2 4.32Å; E64-G418 WeakPolarHBondContact OE1-CA 3.25Å; E64-G418 PolarHBondContact OE1-N 2.67Å; E64-G418 VanDerWaalsContact OE2-CA 3.24Å; E64-G418 WeakPolarHBondContact OE2-CA 3.37Å
65	G	90.1	Very high	77.7	Confident	3 Å²	3	69 Å²	69	3%	0.031	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-3.9	-175.7	0	0	0	0	0	115.6	E63 Q67 E401 R413	E63-G65 PolarHBondContact O-N 2.97Å; G65-Q67 VanDerWaalsContact C-N 3.33Å; G65-Q67 PolarHBondContact O-N 2.78Å; G65-E401 PolarHBondContact N-OE1 2.94Å; G65-R413 VanDerWaalsContact N-NH2 3.2Å
66	D	83.9	Confident	76.5	Confident	53 Å²	53	77.7 Å²	77.7	28%	0.283	40%	0.397	S	S	.	.			trans	-79	3.5	-175.8	-74.4	-25.3	0	0	0	116.6	E63 E64 W68 R172	E63-D66 VanDerWaalsContact CA-OD2 3.28Å; E63-D66 WeakPolarHBondContact CA-OD2 3.37Å; E63-D66 VanDerWaalsContact O-CB 3.24Å; E63-D66 WeakPolarHBondContact O-CB 2.82Å; E63-D66 PolarHBondContact O-N 3.2Å; E64-D66 PolarHBondContact O-N 2.96Å; D66-W68 CarbonylContact O-C 3.52Å; D66-W68 PolarHBondContact O-N 2.53Å; D66-R172 IonicContact OD1-CZ 2.96Å; D66-R172 IonicContact OD1-NE 3.15Å; D66-R172 IonicContact OD1-NH1 2.79Å; D66-R172 PolarHBondContact OD1-NH1 3.37Å; D66-R172 IonicContact OD1-NH2 2.62Å; D66-R172 PolarHBondContact OD1-NH2 3.34Å; D66-R172 IonicContact OD2-CZ 2.68Å; D66-R172 IonicContact OD2-NH2 3.18Å; D66-R172 PolarHBondContact OD2-NH2 3.28Å
67	Q	66.8	Low	76	Confident	48 Å²	48	81.9 Å²	81.9	22%	0.224	42%	0.415	C	S	.	.			trans	-73	42.4	166.1	-80.5	-65.9	-1.6	0	0	112.6	G65 Y403 R413 Y435 M437	G65-Q67 VanDerWaalsContact C-N 3.33Å; G65-Q67 PolarHBondContact O-N 2.78Å; Q67-Y403 HydrophobicContact CB-CD1 4.48Å; Q67-Y403 HydrophobicContact CB-CE1 3.78Å; Q67-Y403 HydrophobicContact CB-CE2 3.88Å; Q67-Y403 VanDerWaalsContact CB-CZ 3.46Å; Q67-Y403 HydrophobicContact CG-CE2 4.32Å; Q67-R413 VanDerWaalsContact CG-CD 3.48Å; Q67-Y435 PolarHBondContact NE2-O 3.34Å; Q67-M437 HydrophobicContact CG-CG 4.43Å; Q67-M437 HydrophobicContact CG-SD 4.11Å
68	W	58.2	Low	75.7	Confident	106 Å²	106	79 Å²	79	40%	0.402	40%	0.402	S	S	.	.			trans	-138.8	89.6	171.6	177.2	78.9	0	0	0	104.6	D66 K70 E75	D66-W68 CarbonylContact O-C 3.52Å; D66-W68 PolarHBondContact O-N 2.53Å; W68-K70 HydrophobicContact CD2-CB 4.41Å; W68-K70 HydrophobicContact CE3-CB 4.31Å; W68-K70 HydrophobicContact CH2-CB 3.55Å; W68-K70 HydrophobicContact CH2-CD 3.49Å; W68-K70 VanDerWaalsContact CH2-CD 3.49Å; W68-K70 HydrophobicContact CH2-CG 3.64Å; W68-K70 HydrophobicContact CZ2-CB 3.58Å; W68-K70 HydrophobicContact CZ2-CD 3.68Å; W68-K70 HydrophobicContact CZ2-CG 3.41Å; W68-K70 VanDerWaalsContact CZ2-CG 3.41Å; W68-K70 HydrophobicContact CZ3-CB 3.89Å; W68-K70 HydrophobicContact CZ3-CD 4.46Å; W68-K70 HydrophobicContact CZ3-CG 4.47Å; W68-E75 PolarHBondContact NE1-OE1 2.84Å
69	V	51	Low	75.7	Confident	91 Å²	91	78.3 Å²	78.3	55%	0.552	40%	0.397	S	S	*	.			trans	-89.2	103.2	160.6	-178.4	0	0	0	0	104.6	G71 N72	V69-G71 PolarHBondContact O-N 2.89Å; V69-N72 HydrophobicContact CB-CB 4Å; V69-N72 HydrophobicContact CG1-CB 4.35Å; V69-N72 PolarHBondContact O-N 3.46Å
70	K	44.3	Very low	75.8	Confident	158 Å²	158	70.8 Å²	70.8	69%	0.687	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	117.1	169.9	-156.5	-176.7	-161.2	178.6	0	108.2	W68 E75	W68-K70 HydrophobicContact CD2-CB 4.41Å; W68-K70 HydrophobicContact CE3-CB 4.31Å; W68-K70 HydrophobicContact CH2-CB 3.55Å; W68-K70 HydrophobicContact CH2-CD 3.49Å; W68-K70 VanDerWaalsContact CH2-CD 3.49Å; W68-K70 HydrophobicContact CH2-CG 3.64Å; W68-K70 HydrophobicContact CZ2-CB 3.58Å; W68-K70 HydrophobicContact CZ2-CD 3.68Å; W68-K70 HydrophobicContact CZ2-CG 3.41Å; W68-K70 VanDerWaalsContact CZ2-CG 3.41Å; W68-K70 HydrophobicContact CZ3-CB 3.89Å; W68-K70 HydrophobicContact CZ3-CD 4.46Å; W68-K70 HydrophobicContact CZ3-CG 4.47Å; K70-E75 WeakPolarHBondContact CA-OE2 3.44Å
71	G	51.5	Low	75.7	Confident	70 Å²	70	69 Å²	69	72%	0.722	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	10.6	-178	0	0	0	0	0	116.9	V69 E75	V69-G71 PolarHBondContact O-N 2.89Å; G71-E75 PolarHBondContact N-OE2 3.37Å
72	N	59.1	Low	75.8	Confident	72 Å²	72	64.9 Å²	64.9	39%	0.385	33%	0.326	S	S	.	.	S	Bend	trans	-92.9	146.2	166.3	-170.4	-6.8	0	0	0	110.7	V69 Y74 E75	V69-N72 HydrophobicContact CB-CB 4Å; V69-N72 HydrophobicContact CG1-CB 4.35Å; V69-N72 PolarHBondContact O-N 3.46Å; N72-Y74 PolarHBondContact O-N 2.76Å; N72-Y74 VanDerWaalsContact OD1-CD2 3.27Å; N72-Y74 WeakPolarHBondContact OD1-CD2 3.26Å; N72-E75 VanDerWaalsContact O-CB 3.27Å; N72-E75 WeakPolarHBondContact O-CB 3.27Å; N72-E75 PolarHBondContact O-N 3.13Å
73	D	60.8	Low	75.9	Confident	144 Å²	144	64.1 Å²	64.1	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.3	-176.4	-66.3	-31.4	0	0	0	114
74	Y	61.2	Low	76.1	Confident	98 Å²	98	61.6 Å²	61.6	38%	0.384	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.5	-178.8	-49.4	-74.2	0	0	0	114.3	N72 K76 K77 L78 Y435	N72-Y74 PolarHBondContact O-N 2.76Å; N72-Y74 VanDerWaalsContact OD1-CD2 3.27Å; N72-Y74 WeakPolarHBondContact OD1-CD2 3.26Å; Y74-K76 PolarHBondContact O-N 2.97Å; Y74-K77 PolarHBondContact O-N 2.79Å; Y74-L78 PolarHBondContact O-N 2.84Å; Y74-L78 VanDerWaalsContact O-N 3.09Å; Y74-Y435 HydrophobicContact CD1-CD1 4.17Å; Y74-Y435 AromaticContact CD1-CE1 3.71Å; Y74-Y435 HydrophobicContact CD1-CE1 3.71Å; Y74-Y435 HydrophobicContact CE1-CD1 4.22Å; Y74-Y435 AromaticContact CE1-CE1 3.57Å; Y74-Y435 HydrophobicContact CE1-CE1 3.57Å; Y74-Y435 HydrophobicContact CG-CD1 4.41Å; Y74-Y435 HydrophobicContact CG-CE1 4.38Å
75	E	62.1	Low	76.3	Confident	69 Å²	69	61.6 Å²	61.6	32%	0.322	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.5	-176.8	-178.3	179	-179.3	0	0	112.3	W68 K70 G71 N72	W68-E75 PolarHBondContact NE1-OE1 2.84Å; K70-E75 WeakPolarHBondContact CA-OE2 3.44Å; G71-E75 PolarHBondContact N-OE2 3.37Å; N72-E75 VanDerWaalsContact O-CB 3.27Å; N72-E75 WeakPolarHBondContact O-CB 3.27Å; N72-E75 PolarHBondContact O-N 3.13Å
76	K	71.1	Confident	76.7	Confident	202 Å²	202	61.4 Å²	61.4	88%	0.878	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.7	-179.8	-67.2	-177	-179.1	176.3	0	113.5	Y74	Y74-K76 PolarHBondContact O-N 2.97Å
77	K	83.8	Confident	77.4	Confident	92 Å²	92	58.9 Å²	58.9	40%	0.4	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-17.2	-172.7	-64.2	-169.2	175.7	-166.5	0	113.6	Y74 H405 S406 D407	Y74-K77 PolarHBondContact O-N 2.79Å; K77-H405 CarbonylContact O-C 3.59Å; K77-H405 VanDerWaalsContact O-CA 3.3Å; K77-H405 WeakPolarHBondContact O-CA 3.31Å; K77-S406 PolarHBondContact O-N 3.02Å; K77-D407 IonicContact NZ-OD2 3.17Å; K77-D407 PolarHBondContact NZ-OD2 3.28Å
78	L	88	Confident	78.9	Confident	22 Å²	22	56.8 Å²	56.8	12%	0.115	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.8	-178.6	-72.1	172.2	0	0	0	112.3	Y74 E404 H405 M437	Y74-L78 PolarHBondContact O-N 2.84Å; Y74-L78 VanDerWaalsContact O-N 3.09Å; L78-E404 CarbonylContact C-O 3.54Å; L78-E404 WeakPolarHBondContact CA-O 3.43Å; L78-H405 HydrophobicContact CD2-CB 3.81Å; L78-M437 HydrophobicContact CD1-CE 4.18Å; L78-M437 HydrophobicContact CD2-CE 3.92Å
79	R	89.8	Confident	80.8	Confident	58 Å²	58	51.8 Å²	51.8	22%	0.219	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.2	174.8	-175.8	169.2	67.6	147.3	0.1	110.7	R81 K177 Y403 E404	R79-R81 VanDerWaalsContact NE-CD 3.3Å; R79-R81 VanDerWaalsContact NH2-NH1 3.1Å; R79-R81 PolarHBondContact O-N 3.14Å; R79-K177 HydrophobicContact CG-CB 4.24Å; R79-K177 HydrophobicContact CG-CD 4.38Å; R79-Y403 CarbonylContact O-C 3.58Å; R79-Y403 WeakPolarHBondContact O-CA 3.25Å; R79-E404 IonicContact CZ-OE2 2.96Å; R79-E404 PolarHBondContact N-O 3.43Å; R79-E404 IonicContact NE-OE2 3.64Å; R79-E404 PolarHBondContact NE-OE2 3.22Å; R79-E404 IonicContact NH2-OE2 2.64Å; R79-E404 PolarHBondContact NH2-OE2 2.76Å; R79-E404 PolarHBondContact O-N 2.8Å
80	L	93.3	Very high	83.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.8	170.2	-178.5	61.8	0	0	0	109.5	G82 I83 Y173 T176 L178 E401 Y403	L80-G82 WeakPolarHBondContact CD1-O 3.35Å; L80-I83 HydrophobicContact CD1-CG2 4.17Å; L80-I83 HydrophobicContact CD2-CG2 4.14Å; L80-Y173 HydrophobicContact CD2-CD1 3.55Å; L80-Y173 HydrophobicContact CD2-CE1 3.7Å; L80-T176 HydrophobicContact CD2-CG2 4.2Å; L80-L178 HydrophobicContact CD2-CB 4.15Å; L80-L178 HydrophobicContact CD2-CD2 4.42Å; L80-L178 HydrophobicContact CG-CD1 4.43Å; L80-E401 HydrophobicContact CD1-CB 3.8Å; L80-E401 HydrophobicContact CD1-CG 4.39Å; L80-Y403 HydrophobicContact CB-CD1 4.16Å; L80-Y403 HydrophobicContact CB-CE1 3.74Å; L80-Y403 HydrophobicContact CD1-CD1 4.43Å; L80-Y403 HydrophobicContact CD1-CD2 4.17Å; L80-Y403 HydrophobicContact CD1-CE1 4.09Å; L80-Y403 HydrophobicContact CD1-CE2 3.81Å; L80-Y403 HydrophobicContact CD1-CG 4.46Å; L80-Y403 HydrophobicContact CG-CE1 4.44Å
81	R	94.8	Very high	85.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-19.1	-176	-65.3	-59.3	-57.4	-73	-10.5	113.8	R79 I358 F361 P362 S364 N365 Y366 I402 E404	R79-R81 VanDerWaalsContact NE-CD 3.3Å; R79-R81 VanDerWaalsContact NH2-NH1 3.1Å; R79-R81 PolarHBondContact O-N 3.14Å; R81-I358 HydrophobicContact CB-CD1 3.81Å; R81-I358 HydrophobicContact CB-CG1 4.21Å; R81-I358 HydrophobicContact CB-CG2 3.86Å; R81-I358 HydrophobicContact CG-CG2 4.12Å; R81-F361 PolarHBondContact NH2-O 2.92Å; R81-P362 PolarHBondContact NH2-O 3.28Å; R81-S364 PolarHBondContact NH2-O 3.26Å; R81-N365 WeakPolarHBondContact CA-OD1 3.1Å; R81-N365 PolarHBondContact NE-OD1 3.4Å; R81-N365 WeakPolarHBondContact O-CA 2.92Å; R81-N365 PolarHBondContact O-OD1 3.08Å; R81-Y366 PolarHBondContact O-N 3.04Å; R81-I402 PolarHBondContact N-O 3.4Å; R81-E404 WeakPolarHBondContact CD-OE2 3.37Å; R81-E404 HydrophobicContact CG-CB 3.55Å; R81-E404 IonicContact CZ-OE2 3.27Å; R81-E404 IonicContact NE-OE2 3.18Å; R81-E404 IonicContact NH1-OE1 3.49Å; R81-E404 PolarHBondContact NH1-OE1 3.4Å; R81-E404 IonicContact NH1-OE2 2.72Å; R81-E404 PolarHBondContact NH1-OE2 3.36Å
82	G	96.6	Very high	87.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	164.7	174.4	0	0	0	0	0	113.8	L80 Y366 I402	L80-G82 WeakPolarHBondContact CD1-O 3.35Å; G82-Y366 CarbonylContact C-O 3.54Å; G82-Y366 WeakPolarHBondContact CA-O 3.43Å; G82-I402 PolarHBondContact N-O 2.76Å; G82-I402 PolarHBondContact O-N 2.96Å
83	I	98.3	Very high	89.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.1	175.9	63.5	175.1	0	0	0	110.3	L80 V85 Y173 L178 F209 Y366 I367 Q368 F400 E401	L80-I83 HydrophobicContact CD1-CG2 4.17Å; L80-I83 HydrophobicContact CD2-CG2 4.14Å; I83-V85 HydrophobicContact CD1-CG2 4.22Å; I83-V85 HydrophobicContact CG1-CG2 4.49Å; I83-Y173 HydrophobicContact CD1-CD2 4.22Å; I83-Y173 HydrophobicContact CD1-CE2 4.11Å; I83-Y173 HydrophobicContact CG2-CD1 4.35Å; I83-Y173 HydrophobicContact CG2-CE1 3.74Å; I83-L178 HydrophobicContact CD1-CD2 3.92Å; I83-L178 HydrophobicContact CG1-CD2 4.23Å; I83-L178 HydrophobicContact CG2-CD2 4.28Å; I83-F209 HydrophobicContact CD1-CE1 3.84Å; I83-F209 HydrophobicContact CD1-CZ 3.66Å; I83-Y366 PolarHBondContact N-O 3.3Å; I83-I367 HydrophobicContact CD1-CG2 4.15Å; I83-I367 HydrophobicContact CG1-CB 4.31Å; I83-I367 HydrophobicContact CG1-CG1 4.11Å; I83-I367 HydrophobicContact CG1-CG2 3.98Å; I83-I367 CarbonylContact O-C 3.58Å; I83-I367 WeakPolarHBondContact O-CA 3.45Å; I83-Q368 PolarHBondContact O-N 3.39Å; I83-F400 CarbonylContact C-O 3.59Å; I83-F400 VanDerWaalsContact CA-O 3.27Å; I83-F400 WeakPolarHBondContact CA-O 3.32Å; I83-E401 HydrophobicContact CG2-CG 4.06Å
84	T	98.8	Very high	90.8	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.7	168.5	-59.1	0	0	0	0	108.3	L351 Q368 F370 V399 F400	T84-L351 WeakPolarHBondContact OG1-CD1 3.38Å; T84-Q368 CarbonylContact C-O 3.53Å; T84-Q368 WeakPolarHBondContact CA-O 3.19Å; T84-Q368 HydrophobicContact CG2-CB 4.08Å; T84-Q368 PolarHBondContact OG1-OE1 2.88Å; T84-F370 HydrophobicContact CG2-CD2 4.03Å; T84-F370 HydrophobicContact CG2-CE2 3.74Å; T84-V399 WeakPolarHBondContact O-CA 3.44Å; T84-F400 HydrophobicContact CG2-CD2 4.34Å; T84-F400 PolarHBondContact N-O 3.47Å; T84-F400 PolarHBondContact O-N 3.28Å
85	V	98.8	Very high	92.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.6	-176.6	-168.9	0	0	0	0	108.7	I83 F87 F169 Q368 I369 F370 V399	I83-V85 HydrophobicContact CD1-CG2 4.22Å; I83-V85 HydrophobicContact CG1-CG2 4.49Å; V85-F87 HydrophobicContact CG1-CD1 3.93Å; V85-F169 HydrophobicContact CB-CE1 4.4Å; V85-F169 HydrophobicContact CG1-CE1 3.86Å; V85-F169 HydrophobicContact CG1-CZ 4.06Å; V85-F169 HydrophobicContact CG2-CD1 4.21Å; V85-F169 HydrophobicContact CG2-CE1 3.58Å; V85-Q368 PolarHBondContact N-O 3.21Å; V85-I369 HydrophobicContact CB-CG1 4.35Å; V85-I369 HydrophobicContact CG2-CG1 4.46Å; V85-I369 CarbonylContact O-C 3.37Å; V85-I369 WeakPolarHBondContact O-CA 3.36Å; V85-F370 PolarHBondContact O-N 2.95Å; V85-V399 HydrophobicContact CG1-CG2 4.49Å
86	V	98.8	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.8	174.2	-172.3	0	0	0	0	107.3	I347 F370 T376 V377 I380 R397 I398	V86-I347 HydrophobicContact CG1-CD1 4Å; V86-I347 HydrophobicContact CG2-CD1 4.27Å; V86-I347 HydrophobicContact CG2-CG2 3.63Å; V86-F370 WeakPolarHBondContact CA-O 3.39Å; V86-F370 HydrophobicContact CB-CB 4.46Å; V86-F370 HydrophobicContact CG1-CB 4.23Å; V86-F370 HydrophobicContact CG2-CB 4.28Å; V86-F370 HydrophobicContact CG2-CD2 4.11Å; V86-T376 HydrophobicContact CG1-CG2 3.84Å; V86-V377 HydrophobicContact CG1-CG2 4.41Å; V86-I380 HydrophobicContact CG1-CD1 4.08Å; V86-I380 HydrophobicContact CG2-CD1 4.3Å; V86-R397 CarbonylContact O-C 3.57Å; V86-R397 VanDerWaalsContact O-CA 3.25Å; V86-R397 WeakPolarHBondContact O-CA 3.2Å; V86-I398 HydrophobicContact CB-CB 4.38Å; V86-I398 PolarHBondContact N-O 3.39Å; V86-I398 PolarHBondContact O-N 2.86Å
87	F	98.7	Very high	93.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.5	179.6	56.7	-111.2	0	0	0	113.4	V85 H162 F205 I369 F370 S371 G372 S396 R397	V85-F87 HydrophobicContact CG1-CD1 3.93Å; F87-H162 AromaticContact CD2-CE1 3.18Å; F87-H162 WeakPolarHBondContact CD2-CE1 3.31Å; F87-H162 AromaticContact CD2-ND1 3.85Å; F87-H162 AromaticContact CE2-CE1 3.41Å; F87-H162 VanDerWaalsContact CE2-CE1 3.41Å; F87-H162 WeakPolarHBondContact CE2-CE1 3.42Å; F87-H162 AromaticContact CE2-ND1 3.7Å; F87-H162 AromaticContact CG-CE1 3.78Å; F87-F205 HydrophobicContact CE1-CB 4.17Å; F87-F205 AromaticContact CE1-CD1 3.75Å; F87-F205 HydrophobicContact CE1-CD1 3.75Å; F87-F205 HydrophobicContact CE1-CD2 4.25Å; F87-F205 HydrophobicContact CE1-CE1 4.18Å; F87-F205 AromaticContact CE1-CG 3.79Å; F87-F205 HydrophobicContact CE1-CG 3.79Å; F87-F205 HydrophobicContact CZ-CB 3.98Å; F87-F205 HydrophobicContact CZ-CD1 4.25Å; F87-F205 HydrophobicContact CZ-CG 4.11Å; F87-I369 HydrophobicContact CD1-CG2 4.47Å; F87-I369 HydrophobicContact CE1-CG2 3.54Å; F87-I369 HydrophobicContact CZ-CG2 4.03Å; F87-F370 PolarHBondContact N-O 3.28Å; F87-S371 VanDerWaalsContact CE2-CB 3.42Å; F87-S371 VanDerWaalsContact CE2-OG 3.24Å; F87-S371 WeakPolarHBondContact CE2-OG 3.48Å; F87-G372 CarbonylContact O-C 3.53Å; F87-G372 PolarHBondContact O-N 3.35Å; F87-S396 CarbonylContact C-O 3.56Å; F87-S396 WeakPolarHBondContact CA-O 3.45Å; F87-S396 WeakPolarHBondContact CB-O 3.41Å; F87-R397 HydrophobicContact CB-CB 4.08Å
88	R	98.6	Very high	93.2	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.3	163.1	-175.7	179.7	-172	-146.9	0	108.3	H162 D374 V377 P392 H393 Y394 T395 S396	R88-H162 PolarHBondContact O-CE1 2.99Å; R88-H162 PolarHBondContact O-NE2 3Å; R88-D374 IonicContact CZ-OD2 3.62Å; R88-D374 VanDerWaalsContact CZ-OD2 3.24Å; R88-D374 IonicContact NE-OD2 2.79Å; R88-D374 PolarHBondContact NE-OD2 3.14Å; R88-D374 VanDerWaalsContact NE-OD2 3.14Å; R88-D374 IonicContact NH2-OD2 2.68Å; R88-D374 PolarHBondContact NH2-OD2 2.82Å; R88-V377 HydrophobicContact CB-CG2 4.33Å; R88-P392 WeakPolarHBondContact CD-O 3.45Å; R88-P392 VanDerWaalsContact CZ-O 3.27Å; R88-P392 PolarHBondContact NE-O 2.81Å; R88-P392 PolarHBondContact NH1-O 3.49Å; R88-H393 WeakPolarHBondContact CD-O 3.36Å; R88-H393 VanDerWaalsContact NH1-C 3.28Å; R88-Y394 VanDerWaalsContact NH1-N 3.2Å; R88-T395 WeakPolarHBondContact O-CA 3.15Å; R88-S396 PolarHBondContact N-O 3.3Å
89	H	98.5	Very high	92	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.133	C	C	.	.			trans	-52.4	164.1	169.2	63.5	71.7	0	0	0	113	R92 H162 R197 T198 S201 G372 H373 Y394 T395	H89-R92 WeakPolarHBondContact CE1-CD 3.29Å; H89-R92 PolarHBondContact CE1-NE 3.37Å; H89-H162 VanDerWaalsContact C-NE2 3.28Å; H89-H162 WeakPolarHBondContact CA-NE2 3.29Å; H89-R197 HydrophobicContact CB-CB 4.41Å; H89-R197 HydrophobicContact CB-CG 4.45Å; H89-R197 WeakPolarHBondContact NE2-CD 3.44Å; H89-R197 PolarHBondContact NE2-NE 3.44Å; H89-T198 HydrophobicContact CB-CG2 4.11Å; H89-S201 WeakPolarHBondContact CA-OG 3.26Å; H89-S201 WeakPolarHBondContact CB-OG 3.1Å; H89-G372 PolarHBondContact N-O 2.92Å; H89-H373 AromaticContact CD2-ND1 3.55Å; H89-H373 AromaticContact NE2-ND1 3.79Å; H89-Y394 AromaticContact CE1-CE1 3.76Å; H89-T395 PolarHBondContact O-N 3.42Å; H89-T395 VanDerWaalsContact O-N 3.14Å
90	G	98.1	Very high	90.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.			trans	-73.9	-176.8	176.5	0	0	0	0	0	113.7	L154 H162 S201 Y394	G90-L154 WeakPolarHBondContact O-CD1 3.01Å; G90-H162 PolarHBondContact N-CD2 3Å; G90-H162 VanDerWaalsContact N-CD2 3.34Å; G90-H162 PolarHBondContact N-NE2 3.13Å; G90-S201 PolarHBondContact N-OG 2.81Å; G90-Y394 WeakPolarHBondContact O-CD1 3.4Å
91	E	96.1	Very high	89.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.			trans	-51.2	140.3	175.7	-169.4	-81.4	129.6	0	0	111.7	L154 T155 G158 C296 R297 Y394	E91-L154 VanDerWaalsContact O-CD1 3.31Å; E91-L154 WeakPolarHBondContact O-CD1 3.41Å; E91-T155 PolarHBondContact O-N 3.41Å; E91-T155 PolarHBondContact O-OG1 2.95Å; E91-T155 VanDerWaalsContact O-OG1 3.1Å; E91-T155 VanDerWaalsContact OE2-CB 3.25Å; E91-T155 WeakPolarHBondContact OE2-CB 3.45Å; E91-T155 VanDerWaalsContact OE2-CG2 3.29Å; E91-T155 WeakPolarHBondContact OE2-CG2 3.37Å; E91-T155 PolarHBondContact OE2-OG1 3.06Å; E91-G158 WeakPolarHBondContact O-CA 3.49Å; E91-C296 HydrophobicContact CG-CB 3.73Å; E91-R297 IonicContact OE1-CZ 2.74Å; E91-R297 IonicContact OE1-NE 2.7Å; E91-R297 PolarHBondContact OE1-NE 3.08Å; E91-R297 IonicContact OE1-NH1 2.92Å; E91-R297 PolarHBondContact OE1-NH1 3.16Å; E91-R297 IonicContact OE1-NH2 3.64Å; E91-R297 PolarHBondContact OE1-NH2 2.69Å; E91-R297 VanDerWaalsContact OE1-NH2 3.1Å; E91-R297 IonicContact OE2-CZ 3.62Å; E91-R297 IonicContact OE2-NH1 3.79Å; E91-R297 PolarHBondContact OE2-NH1 3.35Å; E91-R297 IonicContact OE2-NH2 3.92Å; E91-Y394 HydrophobicContact CB-CD2 4.05Å; E91-Y394 HydrophobicContact CB-CE2 4.31Å; E91-Y394 HydrophobicContact CB-CG 4.46Å; E91-Y394 HydrophobicContact CG-CD2 4.21Å; E91-Y394 HydrophobicContact CG-CE2 4.09Å
92	R	94.8	Very high	87.3	Confident	12 Å²	12	38.8 Å²	38.8	5%	0.045	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-148.9	159.9	-175.3	61.1	165.5	179.1	68.9	6.6	111.2	H89 M153 D288 G292 Y394	H89-R92 WeakPolarHBondContact CE1-CD 3.29Å; H89-R92 PolarHBondContact CE1-NE 3.37Å; R92-M153 WeakPolarHBondContact CA-O 3.42Å; R92-M153 WeakPolarHBondContact CB-O 3.23Å; R92-D288 IonicContact CZ-OD1 3.79Å; R92-D288 IonicContact NH1-OD1 2.64Å; R92-D288 PolarHBondContact NH1-OD1 3.26Å; R92-D288 IonicContact NH1-OD2 4Å; R92-D288 IonicContact NH2-OD1 2.78Å; R92-D288 PolarHBondContact NH2-OD1 3.13Å; R92-G292 WeakPolarHBondContact O-CA 3.45Å; R92-Y394 HydrophobicContact CG-CE1 3.94Å
93	S	93.3	Very high	85.5	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.007	21%	0.207	C	C	.	.			trans	-59.6	155.1	162.2	58.9	0	0	0	0	111.5	V150 G152 M153	S93-V150 PolarHBondContact OG-O 3.45Å; S93-G152 PolarHBondContact OG-N 2.93Å; S93-M153 PolarHBondContact N-O 3.49Å; S93-M153 VanDerWaalsContact N-O 3.1Å; S93-M153 PolarHBondContact OG-N 3.33Å; S93-M153 PolarHBondContact OG-O 3.4Å
94	P	92.6	Very high	84.5	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.013	21%	0.208	C	C	.	.			trans	-63.2	155.2	177.6	31.9	-39.4	0	0	0	110.9	S96 V98 S151 G152 D288 V289 S293	P94-S96 VanDerWaalsContact C-N 3.27Å; P94-V98 HydrophobicContact CG-CG2 3.63Å; P94-S151 CarbonylContact O-C 3.11Å; P94-S151 WeakPolarHBondContact O-CA 3.16Å; P94-G152 PolarHBondContact O-N 3.01Å; P94-D288 WeakPolarHBondContact CA-OD2 3.2Å; P94-D288 WeakPolarHBondContact CB-OD2 3.37Å; P94-V289 HydrophobicContact CB-CG2 4.4Å; P94-S293 WeakPolarHBondContact CG-OG 3.5Å
95	V	90.5	Very high	83.9	Confident	83 Å²	83	43.6 Å²	43.6	50%	0.503	23%	0.229	S	C	.	.	S	Bend	trans	-70	-29.7	176.5	-177.3	0	0	0	0	110.9	D288	V95-D288 PolarHBondContact N-OD2 2.87Å
96	S	85.4	Confident	83.4	Confident	51 Å²	51	43.7 Å²	43.7	36%	0.357	23%	0.23	S	C	.	.	S	Bend	trans	-67.7	172.8	172.4	62.8	0	0	0	0	112.1	P94 V98 S151 V289	P94-S96 VanDerWaalsContact C-N 3.27Å; S96-V98 PolarHBondContact O-N 2.95Å; S96-S151 VanDerWaalsContact O-CB 3.3Å; S96-S151 WeakPolarHBondContact O-CB 3.3Å; S96-S151 PolarHBondContact O-OG 3.06Å; S96-V289 VanDerWaalsContact OG-CG2 3.29Å; S96-V289 WeakPolarHBondContact OG-CG2 3.44Å
97	K	78.3	Confident	82.9	Confident	160 Å²	160	46 Å²	46	70%	0.696	25%	0.245	S	C	*	.			trans	-59.9	130.2	-175.8	-168.1	-174	-178	-162.5	0	110.8	E99 S151	K97-E99 HydrophobicContact CD-CG 4.42Å; K97-E99 VanDerWaalsContact CE-OE1 3.29Å; K97-E99 WeakPolarHBondContact CE-OE1 2.95Å; K97-E99 IonicContact NZ-OE1 3.02Å; K97-E99 PolarHBondContact NZ-OE1 3.38Å; K97-S151 WeakPolarHBondContact CA-OG 3.37Å
98	V	75.6	Confident	82.6	Confident	27 Å²	27	49.7 Å²	49.7	16%	0.164	26%	0.259	C	S	.	.			trans	-105.3	125.3	173.2	-177.9	0	0	0	0	109.1	P94 S96 D100 C149 S151	P94-V98 HydrophobicContact CG-CG2 3.63Å; S96-V98 PolarHBondContact O-N 2.95Å; V98-D100 HydrophobicContact CG1-CB 3.95Å; V98-C149 HydrophobicContact CG1-CB 3.9Å; V98-S151 PolarHBondContact N-OG 3.28Å
99	E	63.1	Low	82.4	Confident	158 Å²	158	54.3 Å²	54.3	74%	0.738	29%	0.285	S	S	*	.			trans	-114.2	76.3	170.3	-65	-175.7	176.9	0	0	107.6	K97	K97-E99 HydrophobicContact CD-CG 4.42Å; K97-E99 VanDerWaalsContact CE-OE1 3.29Å; K97-E99 WeakPolarHBondContact CE-OE1 2.95Å; K97-E99 IonicContact NZ-OE1 3.02Å; K97-E99 PolarHBondContact NZ-OE1 3.38Å
100	D	64.9	Low	82.2	Confident	37 Å²	37	58.8 Å²	58.8	20%	0.198	31%	0.312	C	S	.	.			trans	-137.3	119.5	175.5	-162.2	-4.9	0	0	0	110.3	V98 I102 K299	V98-D100 HydrophobicContact CG1-CB 3.95Å; D100-I102 PolarHBondContact OD1-N 3.2Å; D100-K299 IonicContact OD1-NZ 3.88Å; D100-K299 IonicContact OD2-NZ 2.81Å; D100-K299 PolarHBondContact OD2-NZ 2.81Å
101	D	57.4	Low	82.1	Confident	146 Å²	146	59 Å²	59	78%	0.781	31%	0.313	S	S	*	.	S	Bend	trans	-86.8	-16.2	179.2	-65.3	-30.8	0	0	0	111.8
102	I	55.9	Low	82.1	Confident	131 Å²	131	63 Å²	63	67%	0.672	33%	0.328	S	S	*	.	S	Bend	trans	-90.4	109.4	173.9	-54.5	177.5	0	0	0	107	D100	D100-I102 PolarHBondContact OD1-N 3.2Å
103	G	58.6	Low	82.2	Confident	14 Å²	14	69.9 Å²	69.9	14%	0.144	36%	0.358	C	S	.	.			trans	-58.3	170.9	-169.4	0	0	0	0	0	116	L105 V146	G103-L105 PolarHBondContact O-N 2.95Å; G103-V146 WeakPolarHBondContact CA-O 2.98Å
104	C	77.8	Confident	82.3	Confident	4 Å²	4	72 Å²	72	3%	0.027	38%	0.376	C	S	.	.	S	Bend	trans	-75.9	50.1	-176	-82.6	0	0	0	0	112.6	C149 T155 A156 R297	C104-C149 WeakPolarHBondContact CA-SG 3.41Å; C104-C149 HydrophobicContact CB-CB 4.37Å; C104-C149 WeakPolarHBondContact CB-SG 3.34Å; C104-C149 PolarHBondContact N-SG 3.3Å; C104-C149 WeakPolarHBondContact SG-CA 3.48Å; C104-C149 WeakPolarHBondContact SG-CB 3.31Å; C104-C149 CovalentContact SG-SG 2.04Å; C104-C149 PolarHBondContact SG-SG 2.87Å; C104-T155 HydrophobicContact CB-CG2 3.88Å; C104-A156 WeakPolarHBondContact O-CB 3.38Å; C104-A156 PolarHBondContact O-N 3.34Å; C104-R297 PolarHBondContact SG-NH2 2.78Å; C104-R297 VanDerWaalsContact SG-NH2 3.45Å
105	L	85.9	Confident	82.5	Confident	85 Å²	85	72.2 Å²	72.2	45%	0.445	38%	0.377	S	S	.	.			trans	-72	151.8	178.9	-64.5	173.8	0	0	0	111	G103 V146	G103-L105 PolarHBondContact O-N 2.95Å; L105-V146 HydrophobicContact CD2-CB 3.84Å; L105-V146 HydrophobicContact CD2-CG1 4.3Å
106	A	88.9	Confident	82.8	Confident	2 Å²	2	72.1 Å²	72.1	2%	0.017	38%	0.376	C	S	.	.			trans	-68.9	142.7	169.5	0	0	0	0	0	110.7	R108 D111 R112 A156 E157 L160	A106-R108 PolarHBondContact O-N 2.87Å; A106-D111 HydrophobicContact CB-CB 3.61Å; A106-R112 HydrophobicContact CB-CG 4.21Å; A106-R112 VanDerWaalsContact O-CG 3.29Å; A106-R112 WeakPolarHBondContact O-CG 3.36Å; A106-R112 PolarHBondContact O-NH1 2.89Å; A106-A156 HydrophobicContact CB-CB 4.33Å; A106-E157 HydrophobicContact CB-CG 3.98Å; A106-L160 HydrophobicContact CB-CD1 4.21Å
107	S	87.9	Confident	83.4	Confident	47 Å²	47	72.4 Å²	72.4	33%	0.329	38%	0.381	S	S	.	.	S	Bend	trans	-66.4	-37.8	-172.7	-59.4	0	0	0	0	113.2	R112 E157 R298	S107-R112 VanDerWaalsContact C-NH1 3.28Å; S107-R112 PolarHBondContact O-NH1 3.25Å; S107-E157 WeakPolarHBondContact CB-OE1 3.25Å; S107-E157 PolarHBondContact N-OE1 3.17Å; S107-E157 PolarHBondContact OG-OE1 3.27Å; S107-R298 PolarHBondContact OG-NH1 2.97Å
108	R	92.4	Very high	84.3	Confident	78 Å²	78	65.2 Å²	65.2	29%	0.294	35%	0.35	S	S	.	.	S	Bend	trans	-98.1	146	-178.5	-56.7	-176.7	-60.1	-178.6	-7.1	112	L56 E57 A106 V110 D111 R112 R164	L56-R108 PolarHBondContact O-NH2 3.25Å; E57-R108 IonicContact OE1-NE 2.92Å; A106-R108 PolarHBondContact O-N 2.87Å; R108-V110 VanDerWaalsContact C-N 3.29Å; R108-V110 HydrophobicContact CB-CG2 3.97Å; R108-V110 PolarHBondContact O-N 3.21Å; R108-D111 HydrophobicContact CB-CB 4.46Å; R108-D111 IonicContact CZ-OD2 3.31Å; R108-D111 IonicContact NE-OD2 3.73Å; R108-D111 PolarHBondContact NE-OD2 3.49Å; R108-D111 IonicContact NH2-OD1 2.98Å; R108-D111 PolarHBondContact NH2-OD1 3.26Å; R108-D111 IonicContact NH2-OD2 2.72Å; R108-D111 PolarHBondContact NH2-OD2 3.24Å; R108-D111 PolarHBondContact O-N 2.85Å; R108-D111 VanDerWaalsContact O-N 3.1Å; R108-R112 PolarHBondContact O-N 2.92Å; R108-R164 VanDerWaalsContact NH2-NH2 3.1Å
109	D	93.9	Very high	85.3	Confident	102 Å²	102	67.7 Å²	67.7	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-38.7	177.2	-78	-49.5	0	0	0	113.6	D111 R112 K113	D109-D111 VanDerWaalsContact C-N 3.26Å; D109-D111 PolarHBondContact O-N 3.43Å; D109-R112 PolarHBondContact O-N 3.47Å; D109-R112 IonicContact OD1-CZ 3.88Å; D109-R112 IonicContact OD1-NE 3.24Å; D109-R112 PolarHBondContact OD1-NE 3.47Å; D109-R112 IonicContact OD1-NH2 2.7Å; D109-R112 PolarHBondContact OD1-NH2 3.45Å; D109-R112 IonicContact OD2-NH2 3.38Å; D109-R112 PolarHBondContact OD2-NH2 3.47Å; D109-K113 WeakPolarHBondContact O-CG 3.28Å; D109-K113 PolarHBondContact O-N 3.34Å
110	V	95.6	Very high	86.9	Confident	94 Å²	94	66.5 Å²	66.5	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-61	-38.5	177	-63.9	0	0	0	0	111.6	R108 A114	R108-V110 VanDerWaalsContact C-N 3.29Å; R108-V110 HydrophobicContact CB-CG2 3.97Å; R108-V110 PolarHBondContact O-N 3.21Å; V110-A114 WeakPolarHBondContact O-CB 3.3Å; V110-A114 PolarHBondContact O-N 3.01Å
111	D	95.8	Very high	88.4	Confident	5 Å²	5	67 Å²	67	3%	0.027	36%	0.355	C	S	.	.	H	α-helix	trans	-75.5	-36.4	178.5	-67.7	-42.4	0	0	0	110.8	L56 A106 R108 D109 K113 A114 F115 L160 R164	L56-D111 HydrophobicContact CD1-CB 4Å; L56-D111 VanDerWaalsContact CD1-CG 3.48Å; A106-D111 HydrophobicContact CB-CB 3.61Å; R108-D111 HydrophobicContact CB-CB 4.46Å; R108-D111 IonicContact CZ-OD2 3.31Å; R108-D111 IonicContact NE-OD2 3.73Å; R108-D111 PolarHBondContact NE-OD2 3.49Å; R108-D111 IonicContact NH2-OD1 2.98Å; R108-D111 PolarHBondContact NH2-OD1 3.26Å; R108-D111 IonicContact NH2-OD2 2.72Å; R108-D111 PolarHBondContact NH2-OD2 3.24Å; R108-D111 PolarHBondContact O-N 2.85Å; R108-D111 VanDerWaalsContact O-N 3.1Å; D109-D111 VanDerWaalsContact C-N 3.26Å; D109-D111 PolarHBondContact O-N 3.43Å; D111-K113 PolarHBondContact O-N 3.25Å; D111-A114 PolarHBondContact O-N 3.49Å; D111-F115 WeakPolarHBondContact O-CB 3.36Å; D111-F115 PolarHBondContact O-N 3.21Å; D111-L160 HydrophobicContact CB-CD1 3.62Å; D111-L160 WeakPolarHBondContact O-CD1 3.2Å; D111-R164 IonicContact OD1-NH2 3.97Å; D111-R164 PolarHBondContact OD1-NH2 3.25Å
112	R	95	Very high	90.3	Very high	83 Å²	83	60.1 Å²	60.1	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-47.7	171.6	-70.9	-173.5	-82.6	-90.8	10.9	111.6	A106 S107 R108 D109 F115 V116	A106-R112 HydrophobicContact CB-CG 4.21Å; A106-R112 VanDerWaalsContact O-CG 3.29Å; A106-R112 WeakPolarHBondContact O-CG 3.36Å; A106-R112 PolarHBondContact O-NH1 2.89Å; S107-R112 VanDerWaalsContact C-NH1 3.28Å; S107-R112 PolarHBondContact O-NH1 3.25Å; R108-R112 PolarHBondContact O-N 2.92Å; D109-R112 PolarHBondContact O-N 3.47Å; D109-R112 IonicContact OD1-CZ 3.88Å; D109-R112 IonicContact OD1-NE 3.24Å; D109-R112 PolarHBondContact OD1-NE 3.47Å; D109-R112 IonicContact OD1-NH2 2.7Å; D109-R112 PolarHBondContact OD1-NH2 3.45Å; D109-R112 IonicContact OD2-NH2 3.38Å; D109-R112 PolarHBondContact OD2-NH2 3.47Å; R112-F115 PolarHBondContact O-N 2.85Å; R112-V116 WeakPolarHBondContact O-CG2 3.27Å; R112-V116 PolarHBondContact O-N 3.01Å; R112-V116 VanDerWaalsContact O-N 3.1Å
113	K	96.4	Very high	92.2	Very high	157 Å²	157	57.8 Å²	57.8	68%	0.683	31%	0.305	S	S	*	.	H	α-helix	trans	-62.4	-43.9	175.9	-69.3	175.3	-177	178.6	0	111.9	D109 D111 F115 V116 A117	D109-K113 WeakPolarHBondContact O-CG 3.28Å; D109-K113 PolarHBondContact O-N 3.34Å; D111-K113 PolarHBondContact O-N 3.25Å; K113-F115 VanDerWaalsContact C-N 3.28Å; K113-F115 PolarHBondContact O-N 3.41Å; K113-V116 PolarHBondContact O-N 2.96Å; K113-A117 PolarHBondContact O-N 2.77Å; K113-A117 VanDerWaalsContact O-N 3.12Å
114	A	96.9	Very high	94.1	Very high	45 Å²	45	58.3 Å²	58.3	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-38.3	176.7	0	0	0	0	0	112.1	V110 D111 A117 Y118 L160	V110-A114 WeakPolarHBondContact O-CB 3.3Å; V110-A114 PolarHBondContact O-N 3.01Å; D111-A114 PolarHBondContact O-N 3.49Å; A114-A117 PolarHBondContact O-N 3.14Å; A114-Y118 WeakPolarHBondContact O-CB 3.39Å; A114-Y118 PolarHBondContact O-N 3.01Å; A114-L160 HydrophobicContact CB-CD2 4Å
115	F	97	Very high	95	Very high	8 Å²	8	63.8 Å²	63.8	4%	0.035	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-39.1	177.5	-176.2	-97.7	0	0	0	112.3	D111 R112 K113 Y118 K119 V143 P144 V146 A156 A159 L160	D111-F115 WeakPolarHBondContact O-CB 3.36Å; D111-F115 PolarHBondContact O-N 3.21Å; R112-F115 PolarHBondContact O-N 2.85Å; K113-F115 VanDerWaalsContact C-N 3.28Å; K113-F115 PolarHBondContact O-N 3.41Å; F115-Y118 HydrophobicContact CD2-CD1 4.22Å; F115-Y118 HydrophobicContact CE2-CD1 4.17Å; F115-Y118 PolarHBondContact O-N 3.49Å; F115-K119 WeakPolarHBondContact O-CB 3.23Å; F115-K119 PolarHBondContact O-N 3.13Å; F115-V143 HydrophobicContact CZ-CB 4.38Å; F115-P144 HydrophobicContact CE2-CB 4.34Å; F115-P144 HydrophobicContact CE2-CG 4.06Å; F115-P144 HydrophobicContact CZ-CB 4.02Å; F115-P144 HydrophobicContact CZ-CG 4.19Å; F115-V146 HydrophobicContact CD1-CG1 3.8Å; F115-V146 HydrophobicContact CE1-CG1 3.26Å; F115-V146 HydrophobicContact CZ-CG1 3.98Å; F115-A156 HydrophobicContact CB-CB 4.33Å; F115-A156 HydrophobicContact CD1-CB 4.03Å; F115-A156 HydrophobicContact CD2-CB 3.67Å; F115-A156 HydrophobicContact CE1-CB 4.29Å; F115-A156 HydrophobicContact CE2-CB 3.95Å; F115-A156 HydrophobicContact CG-CB 3.71Å; F115-A156 HydrophobicContact CZ-CB 4.24Å; F115-A159 HydrophobicContact CD2-CB 4.41Å; F115-A159 HydrophobicContact CE2-CB 3.97Å; F115-L160 HydrophobicContact CB-CD1 4.24Å; F115-L160 HydrophobicContact CB-CD2 4.21Å; F115-L160 HydrophobicContact CB-CG 4.35Å; F115-L160 HydrophobicContact CD2-CG 4.42Å
116	V	96.4	Very high	95.5	Very high	80 Å²	80	65.2 Å²	65.2	49%	0.485	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-49.6	174.1	172.5	0	0	0	0	110.7	R112 K113 Y118 K119 E120	R112-V116 WeakPolarHBondContact O-CG2 3.27Å; R112-V116 PolarHBondContact O-N 3.01Å; R112-V116 VanDerWaalsContact O-N 3.1Å; K113-V116 PolarHBondContact O-N 2.96Å; V116-Y118 VanDerWaalsContact C-N 3.32Å; V116-Y118 PolarHBondContact O-N 3.22Å; V116-K119 WeakPolarHBondContact O-CB 3.29Å; V116-K119 PolarHBondContact O-N 2.67Å; V116-K119 VanDerWaalsContact O-N 3.11Å; V116-E120 PolarHBondContact O-N 3.23Å
117	A	97	Very high	95.9	Very high	57 Å²	57	65.1 Å²	65.1	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-40.5	177.6	0	0	0	0	0	112.4	K113 A114 L121	K113-A117 PolarHBondContact O-N 2.77Å; K113-A117 VanDerWaalsContact O-N 3.12Å; A114-A117 PolarHBondContact O-N 3.14Å; A117-L121 PolarHBondContact O-N 3.43Å
118	Y	97.5	Very high	96.3	Very high	9 Å²	9	67.3 Å²	67.3	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-42.8	173.8	167.2	-119.1	0	0	0	112	A114 F115 V116 L121 A122 V143 A159 L163 A204 T207	A114-Y118 WeakPolarHBondContact O-CB 3.39Å; A114-Y118 PolarHBondContact O-N 3.01Å; F115-Y118 HydrophobicContact CD2-CD1 4.22Å; F115-Y118 HydrophobicContact CE2-CD1 4.17Å; F115-Y118 PolarHBondContact O-N 3.49Å; V116-Y118 VanDerWaalsContact C-N 3.32Å; V116-Y118 PolarHBondContact O-N 3.22Å; Y118-L121 PolarHBondContact O-N 3.4Å; Y118-A122 HydrophobicContact CD2-CB 4.24Å; Y118-A122 HydrophobicContact CE1-CB 4.41Å; Y118-A122 HydrophobicContact CE2-CB 3.77Å; Y118-A122 VanDerWaalsContact O-CB 3.24Å; Y118-A122 WeakPolarHBondContact O-CB 3.13Å; Y118-A122 PolarHBondContact O-N 3.43Å; Y118-V143 HydrophobicContact CD1-CG1 4.4Å; Y118-V143 HydrophobicContact CE1-CG1 3.83Å; Y118-A159 HydrophobicContact CE1-CB 4.15Å; Y118-L163 HydrophobicContact CD1-CD1 3.83Å; Y118-L163 HydrophobicContact CD2-CD1 3.62Å; Y118-L163 HydrophobicContact CD2-CD2 3.47Å; Y118-L163 VanDerWaalsContact CD2-CD2 3.47Å; Y118-L163 HydrophobicContact CD2-CG 4.03Å; Y118-L163 HydrophobicContact CE1-CD1 4.44Å; Y118-L163 HydrophobicContact CE2-CD1 4.28Å; Y118-L163 HydrophobicContact CE2-CD2 3.63Å; Y118-L163 HydrophobicContact CE2-CG 4.27Å; Y118-L163 HydrophobicContact CG-CD1 3.36Å; Y118-L163 HydrophobicContact CG-CD2 4.14Å; Y118-L163 HydrophobicContact CG-CG 4.21Å; Y118-A204 HydrophobicContact CE1-CB 4.4Å; Y118-A204 HydrophobicContact CE2-CB 4.41Å; Y118-A204 WeakPolarHBondContact OH-CA 3.31Å; Y118-A204 WeakPolarHBondContact OH-CB 3.37Å; Y118-A204 PolarHBondContact OH-N 3.46Å; Y118-A204 VanDerWaalsContact OH-N 3.16Å; Y118-T207 HydrophobicContact CE2-CG2 4.36Å
119	K	96.9	Very high	96.6	Very high	79 Å²	79	66.2 Å²	66.2	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-49.6	-180	171.7	173.1	-179.9	-166.8	0	111.4	F115 V116 L121 A122 E123 V143	F115-K119 WeakPolarHBondContact O-CB 3.23Å; F115-K119 PolarHBondContact O-N 3.13Å; V116-K119 WeakPolarHBondContact O-CB 3.29Å; V116-K119 PolarHBondContact O-N 2.67Å; V116-K119 VanDerWaalsContact O-N 3.11Å; K119-L121 VanDerWaalsContact C-N 3.29Å; K119-L121 PolarHBondContact O-N 3.26Å; K119-A122 PolarHBondContact O-N 2.82Å; K119-E123 WeakPolarHBondContact CE-OE1 3.43Å; K119-E123 VanDerWaalsContact CE-OE2 3.25Å; K119-E123 WeakPolarHBondContact CE-OE2 3.49Å; K119-E123 WeakPolarHBondContact O-CB 3.28Å; K119-E123 WeakPolarHBondContact O-CG 3.47Å; K119-E123 PolarHBondContact O-N 2.04Å; K119-V143 HydrophobicContact CD-CG2 4.17Å; K119-V143 HydrophobicContact CG-CG2 4Å
120	E	97.3	Very high	96.8	Very high	134 Å²	134	62 Å²	62	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-55.2	-46.2	176.5	-70.2	173.7	178	0	0	111.4	V116 S124	V116-E120 PolarHBondContact O-N 3.23Å; E120-S124 PolarHBondContact O-N 2.95Å; E120-S124 VanDerWaalsContact O-N 3.16Å
121	L	96.7	Very high	96.9	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-48.8	176.6	179.4	60.3	0	0	0	112	A117 Y118 K119 E123 S124 I127 T207 Y211	A117-L121 PolarHBondContact O-N 3.43Å; Y118-L121 PolarHBondContact O-N 3.4Å; K119-L121 VanDerWaalsContact C-N 3.29Å; K119-L121 PolarHBondContact O-N 3.26Å; L121-E123 PolarHBondContact O-N 2.85Å; L121-E123 VanDerWaalsContact O-N 3.17Å; L121-S124 VanDerWaalsContact O-CB 3.32Å; L121-S124 WeakPolarHBondContact O-CB 3.3Å; L121-S124 PolarHBondContact O-N 2.9Å; L121-S124 PolarHBondContact O-OG 3.39Å; L121-I127 HydrophobicContact CD1-CD1 4.17Å; L121-I127 HydrophobicContact CD1-CG1 3.63Å; L121-I127 HydrophobicContact CG-CD1 4.25Å; L121-I127 HydrophobicContact CG-CG1 3.91Å; L121-I127 VanDerWaalsContact O-CB 3.31Å; L121-I127 WeakPolarHBondContact O-CB 3.47Å; L121-I127 WeakPolarHBondContact O-CG1 3.5Å; L121-T207 HydrophobicContact CD2-CG2 3.64Å; L121-T207 HydrophobicContact CG-CG2 4.18Å; L121-Y211 HydrophobicContact CD1-CE1 4.33Å
122	A	96.6	Very high	97	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-27	-177	0	0	0	0	0	113.2	Y118 K119 R142 V143	Y118-A122 HydrophobicContact CD2-CB 4.24Å; Y118-A122 HydrophobicContact CE1-CB 4.41Å; Y118-A122 HydrophobicContact CE2-CB 3.77Å; Y118-A122 VanDerWaalsContact O-CB 3.24Å; Y118-A122 WeakPolarHBondContact O-CB 3.13Å; Y118-A122 PolarHBondContact O-N 3.43Å; K119-A122 PolarHBondContact O-N 2.82Å; A122-R142 PolarHBondContact O-NE 2.92Å; A122-V143 HydrophobicContact CB-CG1 3.54Å
123	E	95.9	Very high	97.1	Very high	83 Å²	83	59.8 Å²	59.8	39%	0.388	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.2	178.2	-65.8	177.4	161.4	0	0	113.2	K119 L121 K128	K119-E123 WeakPolarHBondContact CE-OE1 3.43Å; K119-E123 VanDerWaalsContact CE-OE2 3.25Å; K119-E123 WeakPolarHBondContact CE-OE2 3.49Å; K119-E123 WeakPolarHBondContact O-CB 3.28Å; K119-E123 WeakPolarHBondContact O-CG 3.47Å; K119-E123 PolarHBondContact O-N 2.04Å; L121-E123 PolarHBondContact O-N 2.85Å; L121-E123 VanDerWaalsContact O-N 3.17Å; E123-K128 WeakPolarHBondContact O-CE 3.17Å; E123-K128 PolarHBondContact O-NZ 3.49Å
124	S	97.6	Very high	97.1	Very high	24 Å²	24	53.5 Å²	53.5	17%	0.168	29%	0.287	C	S	.	.	S	Bend	trans	-67.9	153.2	177.2	100.9	0	0	0	0	112.4	E120 L121 E126 I127 K128	E120-S124 PolarHBondContact O-N 2.95Å; E120-S124 VanDerWaalsContact O-N 3.16Å; L121-S124 VanDerWaalsContact O-CB 3.32Å; L121-S124 WeakPolarHBondContact O-CB 3.3Å; L121-S124 PolarHBondContact O-N 2.9Å; L121-S124 PolarHBondContact O-OG 3.39Å; S124-E126 VanDerWaalsContact C-N 3.3Å; S124-E126 WeakPolarHBondContact CB-OE2 3.47Å; S124-E126 PolarHBondContact O-N 3.47Å; S124-E126 PolarHBondContact OG-N 2.94Å; S124-E126 PolarHBondContact OG-OE2 3.06Å; S124-I127 PolarHBondContact O-N 3.04Å; S124-I127 PolarHBondContact OG-N 3.06Å; S124-K128 WeakPolarHBondContact O-CD 3.24Å; S124-K128 VanDerWaalsContact O-CG 3.3Å; S124-K128 WeakPolarHBondContact O-CG 3.45Å; S124-K128 PolarHBondContact O-N 3Å
125	D	97.6	Very high	97.1	Very high	119 Å²	119	55.8 Å²	55.8	64%	0.636	30%	0.297	S	S	*	.	H	α-helix	trans	-67.9	-31.9	-179	-71	-24.1	0	0	0	112	K128 A129	D125-K128 PolarHBondContact O-N 3.49Å; D125-K128 IonicContact OD1-NZ 3.14Å; D125-A129 WeakPolarHBondContact O-CB 2.96Å; D125-A129 PolarHBondContact O-N 3.31Å
126	E	96.3	Very high	97.1	Very high	116 Å²	116	60 Å²	60	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-45.1	175.5	-55	78.2	-170.9	0	0	111.4	S124 A129 F130 Y211	S124-E126 VanDerWaalsContact C-N 3.3Å; S124-E126 WeakPolarHBondContact CB-OE2 3.47Å; S124-E126 PolarHBondContact O-N 3.47Å; S124-E126 PolarHBondContact OG-N 2.94Å; S124-E126 PolarHBondContact OG-OE2 3.06Å; E126-A129 PolarHBondContact O-N 3.36Å; E126-F130 WeakPolarHBondContact O-CB 3.19Å; E126-F130 PolarHBondContact O-N 3.43Å; E126-Y211 HydrophobicContact CB-CE2 4.45Å; E126-Y211 WeakPolarHBondContact CB-OH 3.48Å
127	I	96.9	Very high	97.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.9	-39.1	177.7	-74.5	-76.2	0	0	0	111.1	L121 S124 A129 F130 L131 R142 T207 Y211	L121-I127 HydrophobicContact CD1-CD1 4.17Å; L121-I127 HydrophobicContact CD1-CG1 3.63Å; L121-I127 HydrophobicContact CG-CD1 4.25Å; L121-I127 HydrophobicContact CG-CG1 3.91Å; L121-I127 VanDerWaalsContact O-CB 3.31Å; L121-I127 WeakPolarHBondContact O-CB 3.47Å; L121-I127 WeakPolarHBondContact O-CG1 3.5Å; S124-I127 PolarHBondContact O-N 3.04Å; S124-I127 PolarHBondContact OG-N 3.06Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-F130 PolarHBondContact O-N 3.41Å; I127-L131 PolarHBondContact O-N 3.49Å; I127-R142 PolarHBondContact O-NH2 3.49Å; I127-T207 HydrophobicContact CD1-CG2 4Å; I127-Y211 HydrophobicContact CD1-CD1 3.28Å; I127-Y211 HydrophobicContact CD1-CD2 3.53Å; I127-Y211 HydrophobicContact CD1-CE1 3.49Å; I127-Y211 VanDerWaalsContact CD1-CE1 3.49Å; I127-Y211 HydrophobicContact CD1-CE2 3.72Å; I127-Y211 HydrophobicContact CD1-CG 3.27Å; I127-Y211 HydrophobicContact CG1-CD1 4.37Å; I127-Y211 HydrophobicContact CG1-CD2 4.48Å; I127-Y211 HydrophobicContact CG1-CE1 4.11Å; I127-Y211 HydrophobicContact CG1-CE2 4.23Å
128	K	97.4	Very high	97	Very high	92 Å²	92	60.4 Å²	60.4	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-38.6	174.8	-72.9	163.8	175	158.4	0	111.7	E123 S124 D125	E123-K128 WeakPolarHBondContact O-CE 3.17Å; E123-K128 PolarHBondContact O-NZ 3.49Å; S124-K128 WeakPolarHBondContact O-CD 3.24Å; S124-K128 VanDerWaalsContact O-CG 3.3Å; S124-K128 WeakPolarHBondContact O-CG 3.45Å; S124-K128 PolarHBondContact O-N 3Å; D125-K128 PolarHBondContact O-N 3.49Å; D125-K128 IonicContact OD1-NZ 3.14Å
129	A	97.3	Very high	96.8	Very high	55 Å²	55	66.8 Å²	66.8	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-69.2	-37.1	177.6	0	0	0	0	0	112.2	D125 E126 I127 K132	D125-A129 WeakPolarHBondContact O-CB 2.96Å; D125-A129 PolarHBondContact O-N 3.31Å; E126-A129 PolarHBondContact O-N 3.36Å; I127-A129 VanDerWaalsContact C-N 3.32Å; A129-K132 WeakPolarHBondContact O-CE 3.34Å
130	F	98.1	Very high	96.7	Very high	14 Å²	14	65.4 Å²	65.4	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-81.5	-46.4	179.4	-173.7	-99.1	0	0	0	113.5	E126 I127 L210 Y211 R214 L217 P219 I220	E126-F130 WeakPolarHBondContact O-CB 3.19Å; E126-F130 PolarHBondContact O-N 3.43Å; I127-F130 PolarHBondContact O-N 3.41Å; F130-L210 HydrophobicContact CE1-CB 4.3Å; F130-Y211 HydrophobicContact CB-CD2 3.74Å; F130-Y211 HydrophobicContact CB-CE2 4.04Å; F130-Y211 AromaticContact CD1-CD2 3.57Å; F130-Y211 HydrophobicContact CD1-CD2 3.57Å; F130-Y211 HydrophobicContact CD1-CG 4.21Å; F130-Y211 HydrophobicContact CD2-CD2 4.46Å; F130-Y211 VanDerWaalsContact CE1-CA 3.49Å; F130-Y211 HydrophobicContact CE1-CD2 4.31Å; F130-Y211 AromaticContact CG-CD2 3.67Å; F130-Y211 HydrophobicContact CG-CD2 3.67Å; F130-Y211 HydrophobicContact CG-CE2 4.36Å; F130-R214 HydrophobicContact CD2-CB 3.83Å; F130-R214 HydrophobicContact CE1-CB 4.47Å; F130-R214 HydrophobicContact CE2-CB 3.43Å; F130-R214 VanDerWaalsContact CE2-CB 3.43Å; F130-R214 HydrophobicContact CZ-CB 3.79Å; F130-L217 HydrophobicContact CE2-CB 4.16Å; F130-L217 HydrophobicContact CZ-CB 3.91Å; F130-L217 HydrophobicContact CZ-CD1 4.32Å; F130-P219 CarbonylContact O-C 3.54Å; F130-P219 WeakPolarHBondContact O-CA 3.3Å; F130-I220 HydrophobicContact CE1-CD1 4.07Å; F130-I220 HydrophobicContact CE1-CG1 4.43Å; F130-I220 HydrophobicContact CZ-CD1 4.08Å; F130-I220 HydrophobicContact CZ-CG1 4.31Å; F130-I220 PolarHBondContact O-N 2.92Å
131	L	98	Very high	96.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	84.5	178.6	-61.9	-178.4	0	0	0	110.5	I127 R142 L203 I220	I127-L131 PolarHBondContact O-N 3.49Å; L131-R142 PolarHBondContact O-NH1 3.5Å; L131-R142 PolarHBondContact O-NH2 3.48Å; L131-R142 VanDerWaalsContact O-NH2 3.09Å; L131-L203 HydrophobicContact CB-CD2 4.1Å; L131-L203 HydrophobicContact CD1-CD2 4.16Å; L131-I220 HydrophobicContact CD2-CB 4.21Å
132	K	97.7	Very high	96.5	Very high	113 Å²	113	61.1 Å²	61.1	49%	0.491	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136	-179.4	-62.3	-178.4	-176.3	178.7	0	110.4	A129 I220 Q221 I222	A129-K132 WeakPolarHBondContact O-CE 3.34Å; K132-I220 PolarHBondContact N-O 2.85Å; K132-Q221 CarbonylContact O-C 3.58Å; K132-Q221 WeakPolarHBondContact O-CA 3.43Å; K132-I222 PolarHBondContact O-N 3.4Å
133	L	97.8	Very high	96.4	Very high	22 Å²	22	61.4 Å²	61.4	12%	0.115	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.4	174.3	-63.7	-179	0	0	0	110.5	L137 K138 R142 V199 L203 I222	L133-L137 HydrophobicContact CB-CB 4.26Å; L133-K138 HydrophobicContact CB-CG 4.3Å; L133-R142 HydrophobicContact CD1-CG 4.39Å; L133-V199 HydrophobicContact CD1-CG1 4.44Å; L133-V199 HydrophobicContact CD2-CG1 4.08Å; L133-L203 HydrophobicContact CD2-CD1 4.37Å; L133-L203 HydrophobicContact CD2-CD2 4.24Å; L133-L203 HydrophobicContact CD2-CG 4.47Å; L133-I222 HydrophobicContact CD2-CB 4.06Å; L133-I222 HydrophobicContact CD2-CD1 4Å; L133-I222 HydrophobicContact CD2-CG1 4.42Å; L133-I222 HydrophobicContact CD2-CG2 4.45Å
134	D	96.8	Very high	96.3	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.139	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-49	142.1	162.9	-174.8	-68.2	0	0	0	110.7	Q136 L137 K138 I222 A224	D134-Q136 PolarHBondContact O-N 3.35Å; D134-Q136 VanDerWaalsContact O-N 3.1Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.21Å; D134-Q136 PolarHBondContact OD1-N 3.5Å; D134-L137 HydrophobicContact CB-CD1 4.23Å; D134-L137 HydrophobicContact CB-CG 4.16Å; D134-L137 WeakPolarHBondContact O-CA 2.81Å; D134-L137 WeakPolarHBondContact O-CB 3.49Å; D134-L137 PolarHBondContact O-N 3Å; D134-K138 PolarHBondContact O-N 2.96Å; D134-I222 VanDerWaalsContact CB-O 3.25Å; D134-I222 WeakPolarHBondContact CB-O 3.3Å; D134-I222 PolarHBondContact N-O 3.29Å; D134-A224 HydrophobicContact CB-CB 4.25Å
135	P	96.4	Very high	95.8	Very high	92 Å²	92	60.3 Å²	60.3	60%	0.597	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-46.7	-38.5	176.3	-30	36.3	0	0	0	114.7	L137 K138	P135-L137 PolarHBondContact O-N 3.42Å; P135-K138 PolarHBondContact O-N 2.83Å
136	Q	96	Very high	95.1	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.2	178.6	-65.2	-178.7	61.8	0	0	113.6	D134 Q139 K194 A224	D134-Q136 PolarHBondContact O-N 3.35Å; D134-Q136 VanDerWaalsContact O-N 3.1Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.21Å; D134-Q136 PolarHBondContact OD1-N 3.5Å; Q136-Q139 PolarHBondContact O-NE2 3.01Å; Q136-K194 HydrophobicContact CB-CD 4.19Å; Q136-A224 HydrophobicContact CB-CB 3.82Å
137	L	96.8	Very high	94.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-101	-13.3	179.6	-55.4	-178.5	0	0	0	113.1	L133 D134 P135 Q139 Y140 K194 V199 I222 A224	L133-L137 HydrophobicContact CB-CB 4.26Å; D134-L137 HydrophobicContact CB-CD1 4.23Å; D134-L137 HydrophobicContact CB-CG 4.16Å; D134-L137 WeakPolarHBondContact O-CA 2.81Å; D134-L137 WeakPolarHBondContact O-CB 3.49Å; D134-L137 PolarHBondContact O-N 3Å; P135-L137 PolarHBondContact O-N 3.42Å; L137-Q139 PolarHBondContact O-N 3.33Å; L137-Q139 VanDerWaalsContact O-N 3.14Å; L137-Y140 HydrophobicContact CB-CD2 4.39Å; L137-Y140 HydrophobicContact CD2-CD2 4.3Å; L137-Y140 HydrophobicContact CD2-CE2 4.14Å; L137-Y140 WeakPolarHBondContact O-CD2 3.42Å; L137-Y140 PolarHBondContact O-N 3.45Å; L137-K194 HydrophobicContact CD2-CB 4.45Å; L137-K194 HydrophobicContact CD2-CG 3.81Å; L137-V199 HydrophobicContact CB-CG2 4.34Å; L137-V199 HydrophobicContact CD1-CG2 4.21Å; L137-V199 HydrophobicContact CD2-CG2 3.81Å; L137-V199 HydrophobicContact CG-CG2 4.33Å; L137-I222 HydrophobicContact CD1-CG2 3.87Å; L137-A224 HydrophobicContact CD1-CB 4.31Å; L137-A224 HydrophobicContact CD2-CB 3.83Å; L137-A224 HydrophobicContact CG-CB 3.88Å
138	K	94.6	Very high	93.6	Very high	146 Å²	146	61.3 Å²	61.3	64%	0.635	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.6	-175.8	-72.2	-175.2	180	-179.2	0	114.2	L133 D134 P135 Y140	L133-K138 HydrophobicContact CB-CG 4.3Å; D134-K138 PolarHBondContact O-N 2.96Å; P135-K138 PolarHBondContact O-N 2.83Å; K138-Y140 PolarHBondContact O-N 2.82Å
139	Q	94.4	Very high	92.9	Very high	143 Å²	143	57.3 Å²	57.3	67%	0.668	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.3	175.4	65.2	-175.1	-29.1	0	0	113.4	Q136 L137	Q136-Q139 PolarHBondContact O-NE2 3.01Å; L137-Q139 PolarHBondContact O-N 3.33Å; L137-Q139 VanDerWaalsContact O-N 3.14Å
140	Y	94.4	Very high	92.4	Very high	49 Å²	49	57.2 Å²	57.2	19%	0.192	29%	0.294	C	S	.	.	S	Bend	trans	-89.7	135.3	-179.6	-55.9	-62.1	0	0	0	110.9	L137 K138 K194 N196 V199	L137-Y140 HydrophobicContact CB-CD2 4.39Å; L137-Y140 HydrophobicContact CD2-CD2 4.3Å; L137-Y140 HydrophobicContact CD2-CE2 4.14Å; L137-Y140 WeakPolarHBondContact O-CD2 3.42Å; L137-Y140 PolarHBondContact O-N 3.45Å; K138-Y140 PolarHBondContact O-N 2.82Å; Y140-K194 HydrophobicContact CE2-CB 4.34Å; Y140-K194 PolarHBondContact OH-O 3.31Å; Y140-N196 HydrophobicContact CD1-CB 3.96Å; Y140-N196 HydrophobicContact CG-CB 4.47Å; Y140-V199 HydrophobicContact CD2-CG2 3.87Å
141	P	94.1	Very high	92.1	Very high	58 Å²	58	58.9 Å²	58.9	38%	0.377	31%	0.307	S	S	.	.			trans	-65.1	145.4	175.1	23.2	-27.2	0	0	0	110.4	V143 Q200	P141-V143 PolarHBondContact O-N 2.81Å; P141-Q200 VanDerWaalsContact O-CG 3.27Å; P141-Q200 WeakPolarHBondContact O-CG 3.47Å; P141-Q200 PolarHBondContact O-NE2 3.46Å
142	R	95.8	Very high	91.8	Very high	33 Å²	33	59 Å²	59	13%	0.125	31%	0.309	C	S	.	.	S	Bend	trans	-67.8	-21.6	-177.8	-66	-175.9	71.7	85.5	-6.7	113.2	A122 I127 L131 L133 L203	A122-R142 PolarHBondContact O-NE 2.92Å; I127-R142 PolarHBondContact O-NH2 3.49Å; L131-R142 PolarHBondContact O-NH1 3.5Å; L131-R142 PolarHBondContact O-NH2 3.48Å; L131-R142 VanDerWaalsContact O-NH2 3.09Å; L133-R142 HydrophobicContact CD1-CG 4.39Å; R142-L203 HydrophobicContact CB-CD1 3.89Å; R142-L203 HydrophobicContact CG-CD1 4.08Å; R142-L203 WeakPolarHBondContact O-CD1 3.41Å
143	V	95.3	Very high	91.6	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	30%	0.296	C	S	.	.	S	Bend	trans	-133.8	156.8	178.4	-61.7	0	0	0	0	111.9	F115 Y118 K119 A122 P141 Q200	F115-V143 HydrophobicContact CZ-CB 4.38Å; Y118-V143 HydrophobicContact CD1-CG1 4.4Å; Y118-V143 HydrophobicContact CE1-CG1 3.83Å; K119-V143 HydrophobicContact CD-CG2 4.17Å; K119-V143 HydrophobicContact CG-CG2 4Å; A122-V143 HydrophobicContact CB-CG1 3.54Å; P141-V143 PolarHBondContact O-N 2.81Å; V143-Q200 VanDerWaalsContact C-NE2 3.31Å; V143-Q200 PolarHBondContact O-NE2 3.42Å
144	P	93.3	Very high	91.5	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.032	29%	0.291	C	S	.	.			trans	-53.9	147.8	170.8	-30.2	36.4	0	0	0	114.7	F115 L154 T155 A159	F115-P144 HydrophobicContact CE2-CB 4.34Å; F115-P144 HydrophobicContact CE2-CG 4.06Å; F115-P144 HydrophobicContact CZ-CB 4.02Å; F115-P144 HydrophobicContact CZ-CG 4.19Å; P144-L154 WeakPolarHBondContact CB-O 3.4Å; P144-L154 HydrophobicContact CG-CB 4.3Å; P144-L154 HydrophobicContact CG-CD2 4.08Å; P144-L154 HydrophobicContact CG-CG 4.29Å; P144-T155 VanDerWaalsContact CG-O 3.27Å; P144-T155 WeakPolarHBondContact CG-O 3.43Å; P144-A159 HydrophobicContact CG-CB 3.82Å
145	L	87.4	Confident	91.4	Very high	80 Å²	80	53.7 Å²	53.7	42%	0.419	29%	0.285	S	S	.	.			trans	-79.7	125.3	168.1	-66.5	172.9	0	0	0	109.7	M153	L145-M153 HydrophobicContact CD1-SD 4.21Å
146	V	83	Confident	91.3	Very high	43 Å²	43	49.3 Å²	49.3	26%	0.261	26%	0.257	S	S	.	.	S	Bend	trans	-97.9	-20.1	-178.7	-71.8	0	0	0	0	114	G103 L105 F115 A156	G103-V146 WeakPolarHBondContact CA-O 2.98Å; L105-V146 HydrophobicContact CD2-CB 3.84Å; L105-V146 HydrophobicContact CD2-CG1 4.3Å; F115-V146 HydrophobicContact CD1-CG1 3.8Å; F115-V146 HydrophobicContact CE1-CG1 3.26Å; F115-V146 HydrophobicContact CZ-CG1 3.98Å; V146-A156 HydrophobicContact CG1-CB 4.24Å
147	S	79.3	Confident	91.3	Very high	99 Å²	99	44.8 Å²	44.8	69%	0.692	24%	0.235	S	C	*	.	S	Bend	trans	-75.9	-24.1	-177.4	51.6	0	0	0	0	113.5
148	K	81.6	Confident	91.3	Very high	114 Å²	114	44.8 Å²	44.8	50%	0.496	24%	0.235	S	C	.	.	S	Bend	trans	-152.5	138.9	-179.1	-179.3	169.2	-177.1	168.3	0	110.7	V150	K148-V150 HydrophobicContact CG-CG2 4.33Å
149	C	82.6	Confident	91.5	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.047	21%	0.205	C	C	.	.			trans	-78.6	126	166.6	-73.5	0	0	0	0	110.3	V98 C104	V98-C149 HydrophobicContact CG1-CB 3.9Å; C104-C149 WeakPolarHBondContact CA-SG 3.41Å; C104-C149 HydrophobicContact CB-CB 4.37Å; C104-C149 WeakPolarHBondContact CB-SG 3.34Å; C104-C149 PolarHBondContact N-SG 3.3Å; C104-C149 WeakPolarHBondContact SG-CA 3.48Å; C104-C149 WeakPolarHBondContact SG-CB 3.31Å; C104-C149 CovalentContact SG-SG 2.04Å; C104-C149 PolarHBondContact SG-SG 2.87Å
150	V	88.1	Confident	91.6	Very high	54 Å²	54	31.4 Å²	31.4	33%	0.327	18%	0.175	S	C	.	.			trans	-118.3	145.1	175.6	178.3	0	0	0	0	108.3	S93 K148 G152 M153	S93-V150 PolarHBondContact OG-O 3.45Å; K148-V150 HydrophobicContact CG-CG2 4.33Å; V150-G152 PolarHBondContact O-N 3.42Å; V150-M153 HydrophobicContact CB-CE 3.9Å; V150-M153 HydrophobicContact CB-CG 3.65Å; V150-M153 HydrophobicContact CB-SD 3.7Å; V150-M153 HydrophobicContact CG1-CE 3.65Å; V150-M153 HydrophobicContact CG1-CG 3.98Å; V150-M153 HydrophobicContact CG1-SD 4.12Å; V150-M153 HydrophobicContact CG2-CE 4.48Å; V150-M153 HydrophobicContact CG2-SD 4.32Å; V150-M153 WeakPolarHBondContact O-CB 3.41Å; V150-M153 WeakPolarHBondContact O-CG 3.5Å; V150-M153 PolarHBondContact O-N 2.88Å
151	S	91.1	Very high	91.8	Very high	48 Å²	48	29.4 Å²	29.4	34%	0.336	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	131.5	-176.9	-64.5	0	0	0	0	113.1	P94 S96 K97 V98 M153	P94-S151 CarbonylContact O-C 3.11Å; P94-S151 WeakPolarHBondContact O-CA 3.16Å; S96-S151 VanDerWaalsContact O-CB 3.3Å; S96-S151 WeakPolarHBondContact O-CB 3.3Å; S96-S151 PolarHBondContact O-OG 3.06Å; K97-S151 WeakPolarHBondContact CA-OG 3.37Å; V98-S151 PolarHBondContact N-OG 3.28Å; S151-M153 PolarHBondContact O-N 3.49Å
152	G	91.8	Very high	92.1	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	11	176	0	0	0	0	0	115.5	S93 P94 V150 R197	S93-G152 PolarHBondContact OG-N 2.93Å; P94-G152 PolarHBondContact O-N 3.01Å; V150-G152 PolarHBondContact O-N 3.42Å; G152-R197 WeakPolarHBondContact O-CD 3.34Å; G152-R197 PolarHBondContact O-NH1 3.05Å
153	M	92.8	Very high	92.2	Very high	46 Å²	46	25.9 Å²	25.9	23%	0.227	15%	0.148	C	C	.	.			trans	-87.1	140.6	179.7	-59.3	-142.6	166.9	0	0	112.1	R92 S93 L145 V150 S151 N196	R92-M153 WeakPolarHBondContact CA-O 3.42Å; R92-M153 WeakPolarHBondContact CB-O 3.23Å; S93-M153 PolarHBondContact N-O 3.49Å; S93-M153 VanDerWaalsContact N-O 3.1Å; S93-M153 PolarHBondContact OG-N 3.33Å; S93-M153 PolarHBondContact OG-O 3.4Å; L145-M153 HydrophobicContact CD1-SD 4.21Å; V150-M153 HydrophobicContact CB-CE 3.9Å; V150-M153 HydrophobicContact CB-CG 3.65Å; V150-M153 HydrophobicContact CB-SD 3.7Å; V150-M153 HydrophobicContact CG1-CE 3.65Å; V150-M153 HydrophobicContact CG1-CG 3.98Å; V150-M153 HydrophobicContact CG1-SD 4.12Å; V150-M153 HydrophobicContact CG2-CE 4.48Å; V150-M153 HydrophobicContact CG2-SD 4.32Å; V150-M153 WeakPolarHBondContact O-CB 3.41Å; V150-M153 WeakPolarHBondContact O-CG 3.5Å; V150-M153 PolarHBondContact O-N 2.88Å; S151-M153 PolarHBondContact O-N 3.49Å; M153-N196 WeakPolarHBondContact CA-ND2 3.16Å; M153-N196 WeakPolarHBondContact CB-ND2 3.09Å; M153-N196 WeakPolarHBondContact CG-ND2 3.39Å; M153-N196 PolarHBondContact SD-ND2 2.91Å
154	L	95.7	Very high	92.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-62.2	152.8	169.2	-165.9	78.8	0	0	0	109.9	G90 E91 P144 A159 R197 Q200	G90-L154 WeakPolarHBondContact O-CD1 3.01Å; E91-L154 VanDerWaalsContact O-CD1 3.31Å; E91-L154 WeakPolarHBondContact O-CD1 3.41Å; P144-L154 WeakPolarHBondContact CB-O 3.4Å; P144-L154 HydrophobicContact CG-CB 4.3Å; P144-L154 HydrophobicContact CG-CD2 4.08Å; P144-L154 HydrophobicContact CG-CG 4.29Å; L154-A159 HydrophobicContact CD2-CB 4.06Å; L154-R197 HydrophobicContact CB-CB 3.74Å; L154-R197 HydrophobicContact CD1-CB 4.26Å; L154-Q200 HydrophobicContact CD2-CB 3.54Å
155	T	94.9	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.			trans	-109.9	171.2	-175.2	64.1	0	0	0	0	110.5	E91 C104 P144 E157 G158 A159 R297	E91-T155 PolarHBondContact O-N 3.41Å; E91-T155 PolarHBondContact O-OG1 2.95Å; E91-T155 VanDerWaalsContact O-OG1 3.1Å; E91-T155 VanDerWaalsContact OE2-CB 3.25Å; E91-T155 WeakPolarHBondContact OE2-CB 3.45Å; E91-T155 VanDerWaalsContact OE2-CG2 3.29Å; E91-T155 WeakPolarHBondContact OE2-CG2 3.37Å; E91-T155 PolarHBondContact OE2-OG1 3.06Å; C104-T155 HydrophobicContact CB-CG2 3.88Å; P144-T155 VanDerWaalsContact CG-O 3.27Å; P144-T155 WeakPolarHBondContact CG-O 3.43Å; T155-E157 PolarHBondContact O-N 3.12Å; T155-E157 PolarHBondContact OG1-N 2.99Å; T155-G158 PolarHBondContact O-N 2.92Å; T155-G158 PolarHBondContact OG1-N 3.1Å; T155-A159 PolarHBondContact O-N 3.31Å; T155-R297 VanDerWaalsContact CG2-CZ 3.43Å
156	A	95.1	Very high	93.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-42.2	169.9	0	0	0	0	0	111.3	C104 A106 F115 V146 A159 L160	C104-A156 WeakPolarHBondContact O-CB 3.38Å; C104-A156 PolarHBondContact O-N 3.34Å; A106-A156 HydrophobicContact CB-CB 4.33Å; F115-A156 HydrophobicContact CB-CB 4.33Å; F115-A156 HydrophobicContact CD1-CB 4.03Å; F115-A156 HydrophobicContact CD2-CB 3.67Å; F115-A156 HydrophobicContact CE1-CB 4.29Å; F115-A156 HydrophobicContact CE2-CB 3.95Å; F115-A156 HydrophobicContact CG-CB 3.71Å; F115-A156 HydrophobicContact CZ-CB 4.24Å; V146-A156 HydrophobicContact CG1-CB 4.24Å; A156-A159 PolarHBondContact O-N 2.78Å; A156-L160 VanDerWaalsContact O-CG 3.25Å; A156-L160 WeakPolarHBondContact O-CG 3.13Å; A156-L160 PolarHBondContact O-N 3.04Å
157	E	95	Very high	93.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-47.5	176.3	-62.5	-161.2	178.2	0	0	111.7	L56 A106 S107 T155 A159 L160 Q161 R298	L56-E157 HydrophobicContact CD1-CB 4.3Å; L56-E157 HydrophobicContact CD1-CG 4.29Å; A106-E157 HydrophobicContact CB-CG 3.98Å; S107-E157 WeakPolarHBondContact CB-OE1 3.25Å; S107-E157 PolarHBondContact N-OE1 3.17Å; S107-E157 PolarHBondContact OG-OE1 3.27Å; T155-E157 PolarHBondContact O-N 3.12Å; T155-E157 PolarHBondContact OG1-N 2.99Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-A159 PolarHBondContact O-N 3.21Å; E157-L160 PolarHBondContact O-N 3.46Å; E157-L160 VanDerWaalsContact O-N 3.11Å; E157-Q161 WeakPolarHBondContact O-CG 3.4Å; E157-Q161 PolarHBondContact O-N 3.32Å; E157-R298 IonicContact OE1-NH1 2.69Å; E157-R298 PolarHBondContact OE1-NH1 2.94Å; E157-R298 IonicContact OE2-NH1 3.11Å; E157-R298 PolarHBondContact OE2-NH1 3.14Å; E157-R298 VanDerWaalsContact OE2-NH1 3.13Å
158	G	97.2	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-38.4	179.4	0	0	0	0	0	113.8	E91 T155 Q161 H162	E91-G158 WeakPolarHBondContact O-CA 3.49Å; T155-G158 PolarHBondContact O-N 2.92Å; T155-G158 PolarHBondContact OG1-N 3.1Å; G158-Q161 PolarHBondContact O-N 2.96Å; G158-H162 PolarHBondContact O-N 3.05Å
159	A	97.9	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-43.9	173.1	0	0	0	0	0	111.9	F115 Y118 P144 L154 T155 A156 E157 Q161 H162 L163 A204	F115-A159 HydrophobicContact CD2-CB 4.41Å; F115-A159 HydrophobicContact CE2-CB 3.97Å; Y118-A159 HydrophobicContact CE1-CB 4.15Å; P144-A159 HydrophobicContact CG-CB 3.82Å; L154-A159 HydrophobicContact CD2-CB 4.06Å; T155-A159 PolarHBondContact O-N 3.31Å; A156-A159 PolarHBondContact O-N 2.78Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-A159 PolarHBondContact O-N 3.21Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 2.9Å; A159-H162 PolarHBondContact O-N 3.24Å; A159-L163 PolarHBondContact O-N 3.39Å; A159-A204 WeakPolarHBondContact O-CB 3.29Å
160	L	98.2	Very high	96.2	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-32.6	177.6	-68.6	174.9	0	0	0	112.6	L56 A106 D111 A114 F115 A156 E157 H162 L163 R164	L56-L160 HydrophobicContact CD1-CB 3.8Å; L56-L160 HydrophobicContact CD1-CD1 3.71Å; L56-L160 HydrophobicContact CD1-CG 4.44Å; L56-L160 HydrophobicContact CD2-CB 3.86Å; A106-L160 HydrophobicContact CB-CD1 4.21Å; D111-L160 HydrophobicContact CB-CD1 3.62Å; D111-L160 WeakPolarHBondContact O-CD1 3.2Å; A114-L160 HydrophobicContact CB-CD2 4Å; F115-L160 HydrophobicContact CB-CD1 4.24Å; F115-L160 HydrophobicContact CB-CD2 4.21Å; F115-L160 HydrophobicContact CB-CG 4.35Å; F115-L160 HydrophobicContact CD2-CG 4.42Å; A156-L160 VanDerWaalsContact O-CG 3.25Å; A156-L160 WeakPolarHBondContact O-CG 3.13Å; A156-L160 PolarHBondContact O-N 3.04Å; E157-L160 PolarHBondContact O-N 3.46Å; E157-L160 VanDerWaalsContact O-N 3.11Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-H162 PolarHBondContact O-N 2.71Å; L160-L163 HydrophobicContact CD2-CD1 3.7Å; L160-L163 PolarHBondContact O-N 3.47Å; L160-R164 WeakPolarHBondContact O-CG 3.45Å; L160-R164 PolarHBondContact O-N 3.01Å
161	Q	98.4	Very high	96.5	Very high	7 Å²	7	25 Å²	25	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-45.3	173.2	-69.1	169	-21.7	0	0	110.7	C53 Q54 L56 E157 G158 A159 R164 L165 T395	C53-Q161 PolarHBondContact O-NE2 3.19Å; Q54-Q161 PolarHBondContact O-NE2 2.51Å; L56-Q161 HydrophobicContact CD2-CB 4.34Å; L56-Q161 HydrophobicContact CD2-CG 3.65Å; L56-Q161 HydrophobicContact CG-CG 4.47Å; E157-Q161 WeakPolarHBondContact O-CG 3.4Å; E157-Q161 PolarHBondContact O-N 3.32Å; G158-Q161 PolarHBondContact O-N 2.96Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 2.9Å; Q161-R164 PolarHBondContact O-N 3.1Å; Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 PolarHBondContact O-N 3.49Å; Q161-T395 HydrophobicContact CB-CG2 3.48Å; Q161-T395 VanDerWaalsContact CB-CG2 3.48Å; Q161-T395 HydrophobicContact CG-CG2 4.33Å
162	H	98.8	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.2	-31.5	177.2	-83.6	-71.7	0	0	0	113.8	F87 R88 H89 G90 G158 A159 L160 L165 G166 S201 A204 F205	F87-H162 AromaticContact CD2-CE1 3.18Å; F87-H162 WeakPolarHBondContact CD2-CE1 3.31Å; F87-H162 AromaticContact CD2-ND1 3.85Å; F87-H162 AromaticContact CE2-CE1 3.41Å; F87-H162 VanDerWaalsContact CE2-CE1 3.41Å; F87-H162 WeakPolarHBondContact CE2-CE1 3.42Å; F87-H162 AromaticContact CE2-ND1 3.7Å; F87-H162 AromaticContact CG-CE1 3.78Å; R88-H162 PolarHBondContact O-CE1 2.99Å; R88-H162 PolarHBondContact O-NE2 3Å; H89-H162 VanDerWaalsContact C-NE2 3.28Å; H89-H162 WeakPolarHBondContact CA-NE2 3.29Å; G90-H162 PolarHBondContact N-CD2 3Å; G90-H162 VanDerWaalsContact N-CD2 3.34Å; G90-H162 PolarHBondContact N-NE2 3.13Å; G158-H162 PolarHBondContact O-N 3.05Å; A159-H162 PolarHBondContact O-N 3.24Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-H162 PolarHBondContact O-N 2.71Å; H162-L165 PolarHBondContact O-N 3.42Å; H162-G166 PolarHBondContact O-N 3.47Å; H162-S201 WeakPolarHBondContact CD2-CB 3.21Å; H162-S201 PolarHBondContact CD2-OG 3.28Å; H162-S201 VanDerWaalsContact CD2-OG 3.23Å; H162-S201 WeakPolarHBondContact NE2-CB 3.5Å; H162-S201 PolarHBondContact NE2-OG 3.44Å; H162-A204 HydrophobicContact CB-CB 3.76Å; H162-F205 HydrophobicContact CB-CB 4.25Å; H162-F205 WeakPolarHBondContact O-CA 3.18Å
163	L	98.3	Very high	96.7	Very high	18 Å²	18	24 Å²	24	9%	0.094	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-46.6	170	-74	168.8	0	0	0	111.6	Y118 A159 L160 L165 G166 K167 A204 E208	Y118-L163 HydrophobicContact CD1-CD1 3.83Å; Y118-L163 HydrophobicContact CD2-CD1 3.62Å; Y118-L163 HydrophobicContact CD2-CD2 3.47Å; Y118-L163 VanDerWaalsContact CD2-CD2 3.47Å; Y118-L163 HydrophobicContact CD2-CG 4.03Å; Y118-L163 HydrophobicContact CE1-CD1 4.44Å; Y118-L163 HydrophobicContact CE2-CD1 4.28Å; Y118-L163 HydrophobicContact CE2-CD2 3.63Å; Y118-L163 HydrophobicContact CE2-CG 4.27Å; Y118-L163 HydrophobicContact CG-CD1 3.36Å; Y118-L163 HydrophobicContact CG-CD2 4.14Å; Y118-L163 HydrophobicContact CG-CG 4.21Å; A159-L163 PolarHBondContact O-N 3.39Å; L160-L163 HydrophobicContact CD2-CD1 3.7Å; L160-L163 PolarHBondContact O-N 3.47Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.87Å; L163-G166 PolarHBondContact O-N 3.48Å; L163-K167 WeakPolarHBondContact O-CB 3.01Å; L163-K167 PolarHBondContact O-N 2.89Å; L163-A204 HydrophobicContact CD2-CB 4.33Å; L163-A204 VanDerWaalsContact CD2-O 3.31Å; L163-A204 WeakPolarHBondContact CD2-O 3.41Å; L163-A204 HydrophobicContact CG-CB 4.1Å; L163-E208 HydrophobicContact CB-CG 4.27Å; L163-E208 HydrophobicContact CD2-CG 3.63Å
164	R	98.4	Very high	96.5	Very high	83 Å²	83	26 Å²	26	31%	0.313	11%	0.112	S	C	.	.	H	α-helix	trans	-62.6	-41.3	177.1	-71.8	174.3	-179.6	-134.7	8.9	111.3	L56 V60 R108 D111 L160 Q161 K167 Y168	L56-R164 PolarHBondContact O-NH1 3.4Å; L56-R164 PolarHBondContact O-NH2 2.89Å; V60-R164 HydrophobicContact CG2-CB 4.01Å; R108-R164 VanDerWaalsContact NH2-NH2 3.1Å; D111-R164 IonicContact OD1-NH2 3.97Å; D111-R164 PolarHBondContact OD1-NH2 3.25Å; L160-R164 WeakPolarHBondContact O-CG 3.45Å; L160-R164 PolarHBondContact O-N 3.01Å; Q161-R164 PolarHBondContact O-N 3.1Å; R164-K167 PolarHBondContact O-N 3.27Å; R164-Y168 WeakPolarHBondContact O-CB 3.29Å; R164-Y168 PolarHBondContact O-N 3Å
165	L	98.8	Very high	96.1	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-44.6	174.7	-173.9	59.6	0	0	0	111.7	V60 Q161 H162 L163 K167 Y168 F169 F205	V60-L165 HydrophobicContact CG1-CD1 3.67Å; Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 PolarHBondContact O-N 3.49Å; H162-L165 PolarHBondContact O-N 3.42Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.87Å; L165-K167 PolarHBondContact O-N 2.81Å; L165-Y168 HydrophobicContact CD1-CD1 4.43Å; L165-Y168 WeakPolarHBondContact O-CB 3.39Å; L165-Y168 PolarHBondContact O-N 3.31Å; L165-F169 HydrophobicContact CD1-CD2 3.89Å; L165-F169 HydrophobicContact CD1-CE2 3.6Å; L165-F169 HydrophobicContact CG-CD2 4.2Å; L165-F169 HydrophobicContact CG-CE2 4.15Å; L165-F169 VanDerWaalsContact O-CD2 3.27Å; L165-F169 WeakPolarHBondContact O-CD2 3.29Å; L165-F169 PolarHBondContact O-N 2.96Å; L165-F205 HydrophobicContact CB-CD2 4.19Å; L165-F205 HydrophobicContact CB-CE2 4.49Å; L165-F205 HydrophobicContact CD2-CD2 4.2Å; L165-F205 HydrophobicContact CD2-CE2 4.32Å; L165-F205 HydrophobicContact CG-CD2 3.94Å; L165-F205 HydrophobicContact CG-CE2 3.88Å
166	G	98.6	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-41.5	176.2	0	0	0	0	0	112.6	H162 L163 F169 R170 F205	H162-G166 PolarHBondContact O-N 3.47Å; L163-G166 PolarHBondContact O-N 3.48Å; G166-F169 PolarHBondContact O-N 2.84Å; G166-R170 WeakPolarHBondContact O-CB 2.98Å; G166-R170 PolarHBondContact O-N 3.23Å; G166-F205 VanDerWaalsContact CA-CD2 3.49Å
167	K	98.2	Very high	95.2	Very high	127 Å²	127	37 Å²	37	55%	0.552	16%	0.161	S	C	*	.	H	α-helix	trans	-62.8	-42.9	175.2	178	176.3	-179.4	-175.1	0	111.5	L163 R164 L165 R170 H171 E208	L163-K167 WeakPolarHBondContact O-CB 3.01Å; L163-K167 PolarHBondContact O-N 2.89Å; R164-K167 PolarHBondContact O-N 3.27Å; L165-K167 PolarHBondContact O-N 2.81Å; K167-R170 PolarHBondContact O-N 3.44Å; K167-H171 PolarHBondContact O-N 3.3Å; K167-E208 HydrophobicContact CB-CB 4.35Å; K167-E208 HydrophobicContact CB-CG 4.43Å
168	Y	98.1	Very high	95	Very high	28 Å²	28	37 Å²	37	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-54.8	173.4	169.6	-98.4	0	0	0	110.2	V60 G62 E64 R164 L165 R170 H171 R172	V60-Y168 HydrophobicContact CB-CG 4.2Å; V60-Y168 HydrophobicContact CG1-CD1 3.75Å; V60-Y168 HydrophobicContact CG1-CD2 4.22Å; V60-Y168 HydrophobicContact CG1-CE1 4.46Å; V60-Y168 HydrophobicContact CG1-CG 3.66Å; V60-Y168 WeakPolarHBondContact O-CD2 3.46Å; G62-Y168 WeakPolarHBondContact CA-OH 3.42Å; G62-Y168 PolarHBondContact N-OH 3.26Å; G62-Y168 PolarHBondContact O-OH 3.34Å; E64-Y168 HydrophobicContact CB-CE1 4.21Å; E64-Y168 HydrophobicContact CG-CE1 4.42Å; E64-Y168 WeakPolarHBondContact OE2-CE1 3.35Å; E64-Y168 PolarHBondContact OE2-OH 3.38Å; R164-Y168 WeakPolarHBondContact O-CB 3.29Å; R164-Y168 PolarHBondContact O-N 3Å; L165-Y168 HydrophobicContact CD1-CD1 4.43Å; L165-Y168 WeakPolarHBondContact O-CB 3.39Å; L165-Y168 PolarHBondContact O-N 3.31Å; Y168-R170 VanDerWaalsContact C-N 3.3Å; Y168-R170 PolarHBondContact O-N 2.61Å; Y168-H171 PolarHBondContact O-N 3.18Å; Y168-R172 HydrophobicContact CD1-CG 4.22Å; Y168-R172 HydrophobicContact CD2-CG 4.03Å; Y168-R172 HydrophobicContact CE1-CG 3.78Å; Y168-R172 HydrophobicContact CE2-CG 3.59Å; Y168-R172 HydrophobicContact CG-CG 4.3Å; Y168-R172 VanDerWaalsContact CZ-CG 3.41Å; Y168-R172 VanDerWaalsContact O-CG 3.28Å; Y168-R172 WeakPolarHBondContact O-CG 3.46Å; Y168-R172 PolarHBondContact O-N 3.31Å
169	F	98.1	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-54.3	-46.4	179.1	-90.4	-118.8	0	0	0	112.1	E64 V85 L165 G166 H171 R172 Y173 F205 F209 V399	E64-F169 HydrophobicContact CG-CE2 4.48Å; E64-F169 HydrophobicContact CG-CZ 4.14Å; V85-F169 HydrophobicContact CB-CE1 4.4Å; V85-F169 HydrophobicContact CG1-CE1 3.86Å; V85-F169 HydrophobicContact CG1-CZ 4.06Å; V85-F169 HydrophobicContact CG2-CD1 4.21Å; V85-F169 HydrophobicContact CG2-CE1 3.58Å; L165-F169 HydrophobicContact CD1-CD2 3.89Å; L165-F169 HydrophobicContact CD1-CE2 3.6Å; L165-F169 HydrophobicContact CG-CD2 4.2Å; L165-F169 HydrophobicContact CG-CE2 4.15Å; L165-F169 VanDerWaalsContact O-CD2 3.27Å; L165-F169 WeakPolarHBondContact O-CD2 3.29Å; L165-F169 PolarHBondContact O-N 2.96Å; G166-F169 PolarHBondContact O-N 2.84Å; F169-H171 PolarHBondContact O-N 3.34Å; F169-R172 PolarHBondContact O-N 3.32Å; F169-Y173 HydrophobicContact CB-CD2 4.22Å; F169-Y173 HydrophobicContact CB-CE2 4.4Å; F169-Y173 AromaticContact CD1-CD2 3.96Å; F169-Y173 HydrophobicContact CD1-CD2 3.96Å; F169-Y173 AromaticContact CD1-CE2 3.41Å; F169-Y173 HydrophobicContact CD1-CE2 3.41Å; F169-Y173 VanDerWaalsContact CD1-CE2 3.41Å; F169-Y173 AromaticContact CE1-CE2 3.79Å; F169-Y173 HydrophobicContact CE1-CE2 3.79Å; F169-Y173 HydrophobicContact CG-CD2 4.36Å; F169-Y173 HydrophobicContact CG-CE2 4.05Å; F169-Y173 WeakPolarHBondContact O-CD2 3.5Å; F169-Y173 PolarHBondContact O-N 3.4Å; F169-F205 HydrophobicContact CB-CE2 4.1Å; F169-F205 HydrophobicContact CB-CZ 4.05Å; F169-F205 HydrophobicContact CD1-CE2 4.15Å; F169-F205 AromaticContact CD1-CZ 3.67Å; F169-F205 HydrophobicContact CD1-CZ 3.67Å; F169-F205 AromaticContact CD2-CE2 3.88Å; F169-F205 HydrophobicContact CD2-CE2 3.88Å; F169-F205 HydrophobicContact CD2-CZ 4.25Å; F169-F205 HydrophobicContact CE1-CZ 4.23Å; F169-F205 HydrophobicContact CE2-CE2 4.43Å; F169-F205 AromaticContact CG-CE2 3.76Å; F169-F205 HydrophobicContact CG-CE2 3.76Å; F169-F205 AromaticContact CG-CZ 3.71Å; F169-F205 HydrophobicContact CG-CZ 3.71Å; F169-F209 HydrophobicContact CB-CD1 4.49Å; F169-F209 HydrophobicContact CB-CD2 3.79Å; F169-F209 HydrophobicContact CB-CE2 4.01Å; F169-F209 HydrophobicContact CB-CG 4.05Å; F169-F209 HydrophobicContact CB-CZ 4.46Å; F169-V399 HydrophobicContact CE1-CG1 4.49Å; F169-V399 HydrophobicContact CE1-CG2 4.07Å; F169-V399 HydrophobicContact CZ-CG2 3.62Å
170	R	96.2	Very high	93.1	Very high	49 Å²	49	40.9 Å²	40.9	19%	0.185	19%	0.191	C	C	.	.	H	α-helix	trans	-53.3	-55.6	174.9	177.5	178.1	57.9	171.1	-16.1	111.3	G166 K167 Y168 R172 Y173 E174 E208 F209 K212	G166-R170 WeakPolarHBondContact O-CB 2.98Å; G166-R170 PolarHBondContact O-N 3.23Å; K167-R170 PolarHBondContact O-N 3.44Å; Y168-R170 VanDerWaalsContact C-N 3.3Å; Y168-R170 PolarHBondContact O-N 2.61Å; R170-R172 PolarHBondContact O-N 3.2Å; R170-Y173 PolarHBondContact O-N 2.67Å; R170-E174 WeakPolarHBondContact CD-OE1 3.42Å; R170-E174 HydrophobicContact CG-CG 4.02Å; R170-E174 WeakPolarHBondContact CG-OE1 3.41Å; R170-E174 VanDerWaalsContact O-CB 3.27Å; R170-E174 WeakPolarHBondContact O-CB 3.34Å; R170-E174 WeakPolarHBondContact O-CG 3.33Å; R170-E174 PolarHBondContact O-N 2.95Å; R170-E208 WeakPolarHBondContact CD-O 3.08Å; R170-E208 IonicContact CZ-OE2 2.59Å; R170-E208 IonicContact NH2-OE2 2.72Å; R170-E208 PolarHBondContact NH2-OE2 2.68Å; R170-F209 HydrophobicContact CB-CD2 4.09Å; R170-K212 VanDerWaalsContact NH1-CG 3.35Å
171	H	94.7	Very high	91.7	Very high	99 Å²	99	43.8 Å²	43.8	46%	0.458	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-34.1	-178.3	-177.4	65.6	0	0	0	113.2	K167 Y168 F169 K175	K167-H171 PolarHBondContact O-N 3.3Å; Y168-H171 PolarHBondContact O-N 3.18Å; F169-H171 PolarHBondContact O-N 3.34Å; H171-K175 WeakPolarHBondContact CE1-CE 3.46Å; H171-K175 PolarHBondContact CE1-NZ 3.48Å; H171-K175 WeakPolarHBondContact NE2-CE 3.42Å; H171-K175 PolarHBondContact NE2-NZ 2.97Å; H171-K175 WeakPolarHBondContact O-CE 3.41Å; H171-K175 WeakPolarHBondContact O-CG 3.46Å
172	R	93.6	Very high	89.8	Confident	33 Å²	33	52.4 Å²	52.4	13%	0.125	25%	0.247	C	C	.	.	H	α-helix	trans	-72	-50.3	178.4	-63	-53.3	-62.9	164.3	-83	111.9	E64 D66 Y168 F169 R170 K175	E64-R172 VanDerWaalsContact O-CZ 3.27Å; E64-R172 PolarHBondContact O-NE 3.23Å; D66-R172 IonicContact OD1-CZ 2.96Å; D66-R172 IonicContact OD1-NE 3.15Å; D66-R172 IonicContact OD1-NH1 2.79Å; D66-R172 PolarHBondContact OD1-NH1 3.37Å; D66-R172 IonicContact OD1-NH2 2.62Å; D66-R172 PolarHBondContact OD1-NH2 3.34Å; D66-R172 IonicContact OD2-CZ 2.68Å; D66-R172 IonicContact OD2-NH2 3.18Å; D66-R172 PolarHBondContact OD2-NH2 3.28Å; Y168-R172 HydrophobicContact CD1-CG 4.22Å; Y168-R172 HydrophobicContact CD2-CG 4.03Å; Y168-R172 HydrophobicContact CE1-CG 3.78Å; Y168-R172 HydrophobicContact CE2-CG 3.59Å; Y168-R172 HydrophobicContact CG-CG 4.3Å; Y168-R172 VanDerWaalsContact CZ-CG 3.41Å; Y168-R172 VanDerWaalsContact O-CG 3.28Å; Y168-R172 WeakPolarHBondContact O-CG 3.46Å; Y168-R172 PolarHBondContact O-N 3.31Å; F169-R172 PolarHBondContact O-N 3.32Å; R170-R172 PolarHBondContact O-N 3.2Å; R172-K175 PolarHBondContact O-N 3.17Å
173	Y	93.4	Very high	87.9	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-85.1	-20.3	-171.6	-67.7	-67.4	0	0	0	114.1	E64 L80 I83 F169 R170 K175 T176 L178 F209 V399 E401	E64-Y173 HydrophobicContact CB-CE2 4.19Å; L80-Y173 HydrophobicContact CD2-CD1 3.55Å; L80-Y173 HydrophobicContact CD2-CE1 3.7Å; I83-Y173 HydrophobicContact CD1-CD2 4.22Å; I83-Y173 HydrophobicContact CD1-CE2 4.11Å; I83-Y173 HydrophobicContact CG2-CD1 4.35Å; I83-Y173 HydrophobicContact CG2-CE1 3.74Å; F169-Y173 HydrophobicContact CB-CD2 4.22Å; F169-Y173 HydrophobicContact CB-CE2 4.4Å; F169-Y173 AromaticContact CD1-CD2 3.96Å; F169-Y173 HydrophobicContact CD1-CD2 3.96Å; F169-Y173 AromaticContact CD1-CE2 3.41Å; F169-Y173 HydrophobicContact CD1-CE2 3.41Å; F169-Y173 VanDerWaalsContact CD1-CE2 3.41Å; F169-Y173 AromaticContact CE1-CE2 3.79Å; F169-Y173 HydrophobicContact CE1-CE2 3.79Å; F169-Y173 HydrophobicContact CG-CD2 4.36Å; F169-Y173 HydrophobicContact CG-CE2 4.05Å; F169-Y173 WeakPolarHBondContact O-CD2 3.5Å; F169-Y173 PolarHBondContact O-N 3.4Å; R170-Y173 PolarHBondContact O-N 2.67Å; Y173-K175 PolarHBondContact O-N 2.89Å; Y173-T176 HydrophobicContact CD1-CG2 4.26Å; Y173-T176 WeakPolarHBondContact O-CB 3.19Å; Y173-T176 PolarHBondContact O-N 3.43Å; Y173-T176 PolarHBondContact O-OG1 2.96Å; Y173-L178 HydrophobicContact CD1-CD2 4.16Å; Y173-L178 HydrophobicContact CG-CD2 4.15Å; Y173-F209 HydrophobicContact CD2-CE2 4.13Å; Y173-F209 HydrophobicContact CD2-CZ 4.1Å; Y173-V399 WeakPolarHBondContact OH-CG1 3.36Å; Y173-E401 HydrophobicContact CE1-CG 4.38Å; Y173-E401 PolarHBondContact OH-OE1 3.26Å
174	E	89.4	Confident	87	Confident	86 Å²	86	59 Å²	59	40%	0.402	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.4	168	-80.6	171.2	174.2	0	0	112.4	R170 T176 Q213	R170-E174 WeakPolarHBondContact CD-OE1 3.42Å; R170-E174 HydrophobicContact CG-CG 4.02Å; R170-E174 WeakPolarHBondContact CG-OE1 3.41Å; R170-E174 VanDerWaalsContact O-CB 3.27Å; R170-E174 WeakPolarHBondContact O-CB 3.34Å; R170-E174 WeakPolarHBondContact O-CG 3.33Å; R170-E174 PolarHBondContact O-N 2.95Å; E174-T176 PolarHBondContact O-N 3.39Å; E174-Q213 VanDerWaalsContact CG-NE2 3.33Å; E174-Q213 PolarHBondContact OE1-NE2 3.08Å
175	K	86.4	Confident	86.7	Confident	101 Å²	101	63.6 Å²	63.6	44%	0.439	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.2	175.9	-60	176	-172.1	178.4	0	113.1	H171 R172 Y173	H171-K175 WeakPolarHBondContact CE1-CE 3.46Å; H171-K175 PolarHBondContact CE1-NZ 3.48Å; H171-K175 WeakPolarHBondContact NE2-CE 3.42Å; H171-K175 PolarHBondContact NE2-NZ 2.97Å; H171-K175 WeakPolarHBondContact O-CE 3.41Å; H171-K175 WeakPolarHBondContact O-CG 3.46Å; R172-K175 PolarHBondContact O-N 3.17Å; Y173-K175 PolarHBondContact O-N 2.89Å
176	T	87.7	Confident	86.4	Confident	15 Å²	15	64.3 Å²	64.3	9%	0.092	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	172.2	-178.8	76.4	0	0	0	0	110.7	L80 Y173 E174 L178	L80-T176 HydrophobicContact CD2-CG2 4.2Å; Y173-T176 HydrophobicContact CD1-CG2 4.26Å; Y173-T176 WeakPolarHBondContact O-CB 3.19Å; Y173-T176 PolarHBondContact O-N 3.43Å; Y173-T176 PolarHBondContact O-OG1 2.96Å; E174-T176 PolarHBondContact O-N 3.39Å; T176-L178 PolarHBondContact O-N 3.08Å; T176-L178 VanDerWaalsContact OG1-CB 3.31Å; T176-L178 WeakPolarHBondContact OG1-CB 3.28Å; T176-L178 PolarHBondContact OG1-N 3.41Å
177	K	84.3	Confident	86.3	Confident	119 Å²	119	66 Å²	66	52%	0.517	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	12.8	173.2	-63.9	-175	178.5	177.6	0	114.3	R79 F179 N365	R79-K177 HydrophobicContact CG-CB 4.24Å; R79-K177 HydrophobicContact CG-CD 4.38Å; K177-F179 VanDerWaalsContact C-N 3.34Å; K177-F179 PolarHBondContact O-N 3.16Å; K177-N365 PolarHBondContact O-ND2 2.97Å
178	L	90.1	Very high	86.2	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-39	179.9	-173.1	64.4	0	0	0	112.2	L80 I83 Y173 T176 N365 I367	L80-L178 HydrophobicContact CD2-CB 4.15Å; L80-L178 HydrophobicContact CD2-CD2 4.42Å; L80-L178 HydrophobicContact CG-CD1 4.43Å; I83-L178 HydrophobicContact CD1-CD2 3.92Å; I83-L178 HydrophobicContact CG1-CD2 4.23Å; I83-L178 HydrophobicContact CG2-CD2 4.28Å; Y173-L178 HydrophobicContact CD1-CD2 4.16Å; Y173-L178 HydrophobicContact CG-CD2 4.15Å; T176-L178 PolarHBondContact O-N 3.08Å; T176-L178 VanDerWaalsContact OG1-CB 3.31Å; T176-L178 WeakPolarHBondContact OG1-CB 3.28Å; T176-L178 PolarHBondContact OG1-N 3.41Å; L178-N365 HydrophobicContact CD1-CB 4.14Å; L178-N365 PolarHBondContact O-ND2 2.83Å; L178-I367 HydrophobicContact CD1-CG1 4.46Å; L178-I367 HydrophobicContact CD2-CD1 4.14Å; L178-I367 HydrophobicContact CD2-CG1 4.31Å; L178-I367 HydrophobicContact CG-CD1 4.43Å
179	F	87.3	Confident	86.1	Confident	10 Å²	10	61.4 Å²	61.4	4%	0.044	30%	0.299	C	S	.	.	S	Bend	trans	-112	0.2	-178.3	-59.6	-78.7	0	0	0	114.3	K177 I186 F209 Q213 I367	K177-F179 VanDerWaalsContact C-N 3.34Å; K177-F179 PolarHBondContact O-N 3.16Å; F179-I186 HydrophobicContact CB-CD1 4.43Å; F179-I186 HydrophobicContact CD1-CD1 3.49Å; F179-I186 VanDerWaalsContact CD1-CD1 3.49Å; F179-I186 HydrophobicContact CE1-CD1 4.16Å; F179-I186 HydrophobicContact CG-CD1 4.32Å; F179-F209 AromaticContact CE2-CE2 3.92Å; F179-F209 HydrophobicContact CE2-CE2 3.92Å; F179-F209 HydrophobicContact CE2-CZ 4.21Å; F179-F209 AromaticContact CZ-CE2 3.82Å; F179-F209 HydrophobicContact CZ-CE2 3.82Å; F179-F209 AromaticContact CZ-CZ 3.88Å; F179-F209 HydrophobicContact CZ-CZ 3.88Å; F179-Q213 HydrophobicContact CD1-CB 4.26Å; F179-Q213 HydrophobicContact CD1-CG 4.28Å; F179-Q213 HydrophobicContact CE1-CB 4.06Å; F179-Q213 HydrophobicContact CE1-CG 4.11Å; F179-Q213 HydrophobicContact CZ-CG 4.24Å; F179-I367 HydrophobicContact CE1-CD1 3.7Å; F179-I367 HydrophobicContact CZ-CD1 3.69Å
180	A	69.2	Low	86.2	Confident	72 Å²	72	61.4 Å²	61.4	60%	0.595	30%	0.299	S	S	*	.			trans	-98.6	-4.2	-158.2	0	0	0	0	0	116.4
181	D	67.8	Low	86.3	Confident	69 Å²	69	59.2 Å²	59.2	37%	0.369	29%	0.291	S	S	.	.			trans	-110.2	111.9	-176.2	-165.3	-19.6	0	0	0	110.2	N183 Q184	D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 VanDerWaalsContact O-N 3.09Å; D181-N183 PolarHBondContact OD1-N 3.37Å; D181-Q184 HydrophobicContact CB-CB 3.9Å; D181-Q184 WeakPolarHBondContact O-CB 3.39Å; D181-Q184 PolarHBondContact O-N 2.91Å
182	E	59.3	Low	86.4	Confident	188 Å²	188	54.5 Å²	54.5	88%	0.879	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.2	-177.3	-65.6	-177	170	0	0	112.7	Q184	E182-Q184 VanDerWaalsContact C-N 3.35Å
183	N	58.6	Low	86.6	Confident	138 Å²	138	53 Å²	53	74%	0.738	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	4.2	178.3	-66.2	-45.7	0	0	0	113.7	D181	D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 VanDerWaalsContact O-N 3.09Å; D181-N183 PolarHBondContact OD1-N 3.37Å
184	Q	79.3	Confident	86.7	Confident	18 Å²	18	56.8 Å²	56.8	8%	0.084	28%	0.28	C	S	.	.			trans	-109.4	117.5	-172.7	-164	146.9	20.9	0	0	112	D181 E182 I186 N365	D181-Q184 HydrophobicContact CB-CB 3.9Å; D181-Q184 WeakPolarHBondContact O-CB 3.39Å; D181-Q184 PolarHBondContact O-N 2.91Å; E182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-I186 PolarHBondContact O-N 3.42Å; Q184-N365 VanDerWaalsContact CD-CG 3.5Å; Q184-N365 HydrophobicContact CG-CB 4.42Å; Q184-N365 PolarHBondContact NE2-OD1 3.29Å
185	R	90.8	Very high	87	Confident	180 Å²	180	56.9 Å²	56.9	68%	0.679	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.2	175.1	178.2	-179.2	175.4	175.3	-0.4	110.1	V187 H363 S364 N365	R185-V187 HydrophobicContact CG-CG2 4.29Å; R185-H363 PolarHBondContact N-O 3.05Å; R185-S364 CarbonylContact O-C 3.52Å; R185-S364 WeakPolarHBondContact O-CA 3.42Å; R185-N365 PolarHBondContact O-N 2.99Å
186	I	94.2	Very high	87.4	Confident	18 Å²	18	52.8 Å²	52.8	9%	0.092	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.8	172.3	-49.9	179.7	0	0	0	109.6	F179 Q184 F216 L217 I367	F179-I186 HydrophobicContact CB-CD1 4.43Å; F179-I186 HydrophobicContact CD1-CD1 3.49Å; F179-I186 VanDerWaalsContact CD1-CD1 3.49Å; F179-I186 HydrophobicContact CE1-CD1 4.16Å; F179-I186 HydrophobicContact CG-CD1 4.32Å; Q184-I186 PolarHBondContact O-N 3.42Å; I186-F216 HydrophobicContact CD1-CB 3.79Å; I186-L217 HydrophobicContact CB-CD2 3.82Å; I186-L217 HydrophobicContact CG2-CD2 3.5Å; I186-L217 VanDerWaalsContact CG2-CD2 3.5Å; I186-I367 HydrophobicContact CG2-CD1 3.8Å; I186-I367 HydrophobicContact CG2-CG1 4.19Å
187	V	95.2	Very high	87.9	Confident	36 Å²	36	53 Å²	53	22%	0.218	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.9	175.4	-177.8	0	0	0	0	108	R185 N365 Y366 I367	R185-V187 HydrophobicContact CG-CG2 4.29Å; V187-N365 PolarHBondContact N-O 3.14Å; V187-Y366 HydrophobicContact CB-CD1 3.83Å; V187-Y366 HydrophobicContact CB-CE1 3.89Å; V187-Y366 HydrophobicContact CG1-CD1 4.18Å; V187-Y366 HydrophobicContact CG1-CE1 4.2Å; V187-Y366 HydrophobicContact CG2-CD1 4.43Å; V187-Y366 HydrophobicContact CG2-CE1 4.02Å; V187-Y366 CarbonylContact O-C 3.58Å; V187-Y366 WeakPolarHBondContact O-CA 3.43Å; V187-I367 PolarHBondContact O-N 3.29Å
188	A	96.7	Very high	88.5	Confident	19 Å²	19	47.3 Å²	47.3	16%	0.157	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128	-179.6	0	0	0	0	0	111.5	L217 I220 I367	A188-L217 HydrophobicContact CB-CD2 3.88Å; A188-I220 HydrophobicContact CB-CD1 3.86Å; A188-I220 HydrophobicContact CB-CG1 4.41Å; A188-I367 CarbonylContact C-O 3.5Å; A188-I367 VanDerWaalsContact CA-O 3.29Å; A188-I367 WeakPolarHBondContact CA-O 3.27Å; A188-I367 HydrophobicContact CB-CB 4.2Å
189	D	96.9	Very high	88.9	Confident	38 Å²	38	47.3 Å²	47.3	20%	0.203	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.5	174.2	-77.4	-64.8	0	0	0	109.9	K223 I367 Q368 I369	D189-K223 IonicContact OD1-NZ 2.9Å; D189-K223 PolarHBondContact OD1-NZ 3.18Å; D189-I367 PolarHBondContact N-O 2.77Å; D189-Q368 HydrophobicContact CB-CG 4.5Å; D189-Q368 CarbonylContact O-C 3.58Å; D189-Q368 WeakPolarHBondContact O-CA 3.43Å; D189-I369 PolarHBondContact O-N 3.27Å
190	V	98.5	Very high	89.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.8	174.2	-175.2	0	0	0	0	108.8	A202 L210 I220 I222 K223 I369	V190-A202 HydrophobicContact CG1-CB 4.29Å; V190-L210 HydrophobicContact CG2-CD1 3.66Å; V190-I220 HydrophobicContact CB-CG2 4.14Å; V190-I220 HydrophobicContact CG2-CG2 3.72Å; V190-I222 HydrophobicContact CB-CG1 4.15Å; V190-I222 HydrophobicContact CG1-CB 4.5Å; V190-I222 HydrophobicContact CG1-CD1 4.37Å; V190-I222 HydrophobicContact CG1-CG1 3.99Å; V190-I222 HydrophobicContact CG1-CG2 4.15Å; V190-I222 CarbonylContact O-C 3.53Å; V190-I222 WeakPolarHBondContact O-CA 3.35Å; V190-K223 PolarHBondContact O-N 3.34Å; V190-I369 CarbonylContact C-O 3.52Å; V190-I369 WeakPolarHBondContact CA-O 3.33Å; V190-I369 HydrophobicContact CG1-CB 4.34Å; V190-I369 HydrophobicContact CG1-CG2 4.3Å; V190-I369 HydrophobicContact CG2-CB 4.23Å; V190-I369 HydrophobicContact CG2-CD1 4.05Å
191	V	98.4	Very high	90.9	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.4	-177.4	-176.8	0	0	0	0	108.7	K223 S225 H230 I232 I369 F370 S371	V191-K223 WeakPolarHBondContact CA-O 3.05Å; V191-K223 HydrophobicContact CG2-CB 4.34Å; V191-S225 WeakPolarHBondContact CG1-OG 3.46Å; V191-H230 HydrophobicContact CG1-CB 4.47Å; V191-I232 HydrophobicContact CG1-CG2 3.9Å; V191-I369 PolarHBondContact N-O 2.96Å; V191-F370 HydrophobicContact CB-CD1 3.71Å; V191-F370 HydrophobicContact CB-CE1 3.94Å; V191-F370 HydrophobicContact CG1-CD1 4.12Å; V191-F370 HydrophobicContact CG1-CE1 4.34Å; V191-F370 HydrophobicContact CG2-CD1 4.14Å; V191-F370 HydrophobicContact CG2-CE1 3.84Å; V191-F370 WeakPolarHBondContact O-CA 3.36Å; V191-S371 PolarHBondContact O-N 2.86Å
192	S	98.3	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.4	175.5	-176.2	0	0	0	0	110.5	T198 V199 K223 S225	S192-T198 WeakPolarHBondContact OG-CB 3.38Å; S192-T198 PolarHBondContact OG-O 3.4Å; S192-T198 PolarHBondContact OG-OG1 2.89Å; S192-V199 WeakPolarHBondContact OG-CA 3.38Å; S192-V199 PolarHBondContact OG-N 2.95Å; S192-V199 VanDerWaalsContact OG-N 3.17Å; S192-K223 PolarHBondContact N-O 3.04Å; S192-S225 VanDerWaalsContact C-OG 3.23Å; S192-S225 PolarHBondContact O-N 3.49Å; S192-S225 PolarHBondContact O-OG 3.35Å
193	S	97.2	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	162.9	162.7	72.1	0	0	0	0	109.6	Y195 T198 S225 N226 H230 S371 H373	S193-Y195 PolarHBondContact O-N 3.38Å; S193-T198 PolarHBondContact O-OG1 3.43Å; S193-T198 VanDerWaalsContact O-OG1 3.08Å; S193-T198 WeakPolarHBondContact OG-CB 3.21Å; S193-T198 VanDerWaalsContact OG-CG2 3.31Å; S193-T198 WeakPolarHBondContact OG-CG2 3.41Å; S193-T198 PolarHBondContact OG-OG1 3.34Å; S193-S225 PolarHBondContact N-OG 2.77Å; S193-N226 WeakPolarHBondContact CB-O 2.96Å; S193-H230 PolarHBondContact N-CE1 3.25Å; S193-S371 PolarHBondContact N-O 2.92Å; S193-H373 PolarHBondContact OG-NE2 3.31Å
194	K	96	Very high	96.1	Very high	80 Å²	80	24.7 Å²	24.7	35%	0.348	11%	0.111	S	C	.	.	S	Bend	trans	-84	60	-177.1	-66.5	-176.6	-77.5	-172.3	0	112.2	Q136 L137 Y140 A224	Q136-K194 HydrophobicContact CB-CD 4.19Å; L137-K194 HydrophobicContact CD2-CB 4.45Å; L137-K194 HydrophobicContact CD2-CG 3.81Å; Y140-K194 HydrophobicContact CE2-CB 4.34Å; Y140-K194 PolarHBondContact OH-O 3.31Å; K194-A224 HydrophobicContact CD-CB 4.25Å; K194-A224 HydrophobicContact CG-CB 4.13Å
195	Y	95.8	Very high	97.1	Very high	88 Å²	88	23.9 Å²	23.9	35%	0.345	11%	0.107	S	C	.	.	S	Bend	trans	-133.3	142.9	171.6	-70	-93.4	0	0	0	109.8	S193 R197 T198 V199 F227 H373	S193-Y195 PolarHBondContact O-N 3.38Å; Y195-R197 PolarHBondContact O-N 3.19Å; Y195-R197 VanDerWaalsContact O-N 3.16Å; Y195-T198 PolarHBondContact O-N 3.44Å; Y195-T198 PolarHBondContact O-OG1 3.13Å; Y195-V199 WeakPolarHBondContact O-CG2 3.29Å; Y195-V199 PolarHBondContact O-N 2.86Å; Y195-F227 AromaticContact CD2-CD2 3.94Å; Y195-F227 HydrophobicContact CD2-CD2 3.94Å; Y195-F227 HydrophobicContact CD2-CE2 4.31Å; Y195-F227 HydrophobicContact CE2-CB 4.38Å; Y195-F227 AromaticContact CE2-CD2 3.23Å; Y195-F227 HydrophobicContact CE2-CD2 3.23Å; Y195-F227 AromaticContact CE2-CE2 3.71Å; Y195-F227 HydrophobicContact CE2-CE2 3.71Å; Y195-F227 HydrophobicContact CE2-CG 4.05Å; Y195-F227 AromaticContact CZ-CD2 3.89Å; Y195-H373 AromaticContact CD2-CE1 3.81Å; Y195-H373 AromaticContact CD2-NE2 3.61Å
196	N	94.7	Very high	97.4	Very high	16 Å²	16	15.3 Å²	15.3	9%	0.086	7%	0.074	C	C	.	.	H	α-helix	trans	-49.9	-43.7	176.7	61.2	-15.5	0	0	0	112.3	Y140 M153 T198 V199 Q200	Y140-N196 HydrophobicContact CD1-CB 3.96Å; Y140-N196 HydrophobicContact CG-CB 4.47Å; M153-N196 WeakPolarHBondContact CA-ND2 3.16Å; M153-N196 WeakPolarHBondContact CB-ND2 3.09Å; M153-N196 WeakPolarHBondContact CG-ND2 3.39Å; M153-N196 PolarHBondContact SD-ND2 2.91Å; N196-T198 PolarHBondContact O-N 2.96Å; N196-V199 PolarHBondContact O-N 3.42Å; N196-Q200 VanDerWaalsContact O-CB 3.26Å; N196-Q200 WeakPolarHBondContact O-CB 3.38Å; N196-Q200 WeakPolarHBondContact O-CG 3.4Å; N196-Q200 PolarHBondContact O-N 3.26Å
197	R	96.8	Very high	97.6	Very high	19 Å²	19	14.5 Å²	14.5	7%	0.072	7%	0.07	C	C	.	.	H	α-helix	trans	-67.7	-33.9	-175.6	59.3	177.8	177.6	-81	-3.7	114.3	H89 G152 L154 Y195 S201	H89-R197 HydrophobicContact CB-CB 4.41Å; H89-R197 HydrophobicContact CB-CG 4.45Å; H89-R197 WeakPolarHBondContact NE2-CD 3.44Å; H89-R197 PolarHBondContact NE2-NE 3.44Å; G152-R197 WeakPolarHBondContact O-CD 3.34Å; G152-R197 PolarHBondContact O-NH1 3.05Å; L154-R197 HydrophobicContact CB-CB 3.74Å; L154-R197 HydrophobicContact CD1-CB 4.26Å; Y195-R197 PolarHBondContact O-N 3.19Å; Y195-R197 VanDerWaalsContact O-N 3.16Å; R197-S201 VanDerWaalsContact O-CB 3.22Å; R197-S201 WeakPolarHBondContact O-CB 3.21Å; R197-S201 PolarHBondContact O-N 3.48Å; R197-S201 VanDerWaalsContact O-N 3.12Å; R197-S201 PolarHBondContact O-OG 3.05Å
198	T	98.3	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-80.2	-39.2	176.4	45.6	0	0	0	0	110.6	H89 S192 S193 Y195 N196 Q200 S201 A202 S371 G372 H373	H89-T198 HydrophobicContact CB-CG2 4.11Å; S192-T198 WeakPolarHBondContact OG-CB 3.38Å; S192-T198 PolarHBondContact OG-O 3.4Å; S192-T198 PolarHBondContact OG-OG1 2.89Å; S193-T198 PolarHBondContact O-OG1 3.43Å; S193-T198 VanDerWaalsContact O-OG1 3.08Å; S193-T198 WeakPolarHBondContact OG-CB 3.21Å; S193-T198 VanDerWaalsContact OG-CG2 3.31Å; S193-T198 WeakPolarHBondContact OG-CG2 3.41Å; S193-T198 PolarHBondContact OG-OG1 3.34Å; Y195-T198 PolarHBondContact O-N 3.44Å; Y195-T198 PolarHBondContact O-OG1 3.13Å; N196-T198 PolarHBondContact O-N 2.96Å; T198-Q200 PolarHBondContact O-N 2.04Å; T198-S201 PolarHBondContact O-N 2.82Å; T198-A202 WeakPolarHBondContact O-CB 3.11Å; T198-A202 PolarHBondContact O-N 3.22Å; T198-S371 WeakPolarHBondContact CA-OG 3.47Å; T198-S371 WeakPolarHBondContact O-CB 3.29Å; T198-S371 PolarHBondContact O-OG 3.45Å; T198-G372 VanDerWaalsContact CG2-O 3.23Å; T198-G372 WeakPolarHBondContact CG2-O 3.29Å; T198-H373 VanDerWaalsContact CG2-CE1 3.48Å; T198-H373 WeakPolarHBondContact CG2-CE1 3.42Å
199	V	98.3	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.4	-47.4	175.1	174.5	0	0	0	0	111.2	L133 L137 Y140 S192 Y195 N196 A202 L203	L133-V199 HydrophobicContact CD1-CG1 4.44Å; L133-V199 HydrophobicContact CD2-CG1 4.08Å; L137-V199 HydrophobicContact CB-CG2 4.34Å; L137-V199 HydrophobicContact CD1-CG2 4.21Å; L137-V199 HydrophobicContact CD2-CG2 3.81Å; L137-V199 HydrophobicContact CG-CG2 4.33Å; Y140-V199 HydrophobicContact CD2-CG2 3.87Å; S192-V199 WeakPolarHBondContact OG-CA 3.38Å; S192-V199 PolarHBondContact OG-N 2.95Å; S192-V199 VanDerWaalsContact OG-N 3.17Å; Y195-V199 WeakPolarHBondContact O-CG2 3.29Å; Y195-V199 PolarHBondContact O-N 2.86Å; N196-V199 PolarHBondContact O-N 3.42Å; V199-A202 WeakPolarHBondContact O-CB 3.37Å; V199-A202 PolarHBondContact O-N 3.09Å; V199-L203 HydrophobicContact CG1-CD1 4.05Å; V199-L203 WeakPolarHBondContact O-CG 3.25Å; V199-L203 PolarHBondContact O-N 3.32Å
200	Q	98.4	Very high	97.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-67.4	-37.7	179.2	-69.6	167	-1.2	0	0	112.1	P141 V143 L154 N196 T198 L203 A204	P141-Q200 VanDerWaalsContact O-CG 3.27Å; P141-Q200 WeakPolarHBondContact O-CG 3.47Å; P141-Q200 PolarHBondContact O-NE2 3.46Å; V143-Q200 VanDerWaalsContact C-NE2 3.31Å; V143-Q200 PolarHBondContact O-NE2 3.42Å; L154-Q200 HydrophobicContact CD2-CB 3.54Å; N196-Q200 VanDerWaalsContact O-CB 3.26Å; N196-Q200 WeakPolarHBondContact O-CB 3.38Å; N196-Q200 WeakPolarHBondContact O-CG 3.4Å; N196-Q200 PolarHBondContact O-N 3.26Å; T198-Q200 PolarHBondContact O-N 2.04Å; Q200-L203 PolarHBondContact O-N 2.87Å; Q200-A204 WeakPolarHBondContact O-CB 3.33Å; Q200-A204 PolarHBondContact O-N 2.84Å
201	S	98.8	Very high	97.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.3	-42	172.9	-64.4	0	0	0	0	111.9	H89 G90 H162 R197 T198 A204 F205	H89-S201 WeakPolarHBondContact CA-OG 3.26Å; H89-S201 WeakPolarHBondContact CB-OG 3.1Å; G90-S201 PolarHBondContact N-OG 2.81Å; H162-S201 WeakPolarHBondContact CD2-CB 3.21Å; H162-S201 PolarHBondContact CD2-OG 3.28Å; H162-S201 VanDerWaalsContact CD2-OG 3.23Å; H162-S201 WeakPolarHBondContact NE2-CB 3.5Å; H162-S201 PolarHBondContact NE2-OG 3.44Å; R197-S201 VanDerWaalsContact O-CB 3.22Å; R197-S201 WeakPolarHBondContact O-CB 3.21Å; R197-S201 PolarHBondContact O-N 3.48Å; R197-S201 VanDerWaalsContact O-N 3.12Å; R197-S201 PolarHBondContact O-OG 3.05Å; T198-S201 PolarHBondContact O-N 2.82Å; S201-A204 PolarHBondContact O-N 3.12Å; S201-F205 WeakPolarHBondContact O-CB 3.2Å; S201-F205 PolarHBondContact O-N 3.39Å
202	A	98.7	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-44.7	176.1	0	0	0	0	0	111.7	V190 T198 V199 S206	V190-A202 HydrophobicContact CG1-CB 4.29Å; T198-A202 WeakPolarHBondContact O-CB 3.11Å; T198-A202 PolarHBondContact O-N 3.22Å; V199-A202 WeakPolarHBondContact O-CB 3.37Å; V199-A202 PolarHBondContact O-N 3.09Å; A202-S206 WeakPolarHBondContact O-CB 3.46Å; A202-S206 PolarHBondContact O-N 2.75Å; A202-S206 PolarHBondContact O-OG 3.45Å
203	L	98.7	Very high	97.1	Very high	2 Å²	2	17 Å²	17	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-62.5	-50.9	176.8	-75.5	167.7	0	0	0	111.3	L131 L133 R142 V199 Q200 F205 S206 T207 I222	L131-L203 HydrophobicContact CB-CD2 4.1Å; L131-L203 HydrophobicContact CD1-CD2 4.16Å; L133-L203 HydrophobicContact CD2-CD1 4.37Å; L133-L203 HydrophobicContact CD2-CD2 4.24Å; L133-L203 HydrophobicContact CD2-CG 4.47Å; R142-L203 HydrophobicContact CB-CD1 3.89Å; R142-L203 HydrophobicContact CG-CD1 4.08Å; R142-L203 WeakPolarHBondContact O-CD1 3.41Å; V199-L203 HydrophobicContact CG1-CD1 4.05Å; V199-L203 WeakPolarHBondContact O-CG 3.25Å; V199-L203 PolarHBondContact O-N 3.32Å; Q200-L203 PolarHBondContact O-N 2.87Å; L203-F205 PolarHBondContact O-N 2.85Å; L203-S206 PolarHBondContact O-N 3.47Å; L203-T207 WeakPolarHBondContact O-CB 3.34Å; L203-T207 PolarHBondContact O-N 3Å; L203-T207 PolarHBondContact O-OG1 2.69Å; L203-I222 HydrophobicContact CD2-CD1 3.61Å; L203-I222 HydrophobicContact CG-CD1 4.01Å
204	A	98.7	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.8	-52.7	178.2	0	0	0	0	0	111.9	Y118 A159 H162 L163 Q200 S201 S206 T207 E208	Y118-A204 HydrophobicContact CE1-CB 4.4Å; Y118-A204 HydrophobicContact CE2-CB 4.41Å; Y118-A204 WeakPolarHBondContact OH-CA 3.31Å; Y118-A204 WeakPolarHBondContact OH-CB 3.37Å; Y118-A204 PolarHBondContact OH-N 3.46Å; Y118-A204 VanDerWaalsContact OH-N 3.16Å; A159-A204 WeakPolarHBondContact O-CB 3.29Å; H162-A204 HydrophobicContact CB-CB 3.76Å; L163-A204 HydrophobicContact CD2-CB 4.33Å; L163-A204 VanDerWaalsContact CD2-O 3.31Å; L163-A204 WeakPolarHBondContact CD2-O 3.41Å; L163-A204 HydrophobicContact CG-CB 4.1Å; Q200-A204 WeakPolarHBondContact O-CB 3.33Å; Q200-A204 PolarHBondContact O-N 2.84Å; S201-A204 PolarHBondContact O-N 3.12Å; A204-S206 PolarHBondContact O-N 2.94Å; A204-T207 PolarHBondContact O-N 3.46Å; A204-E208 PolarHBondContact O-N 2.75Å
205	F	98.9	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-47.3	178.3	177.9	-95.8	0	0	0	112.1	F87 H162 L165 G166 F169 S201 L203 T207 E208 F209 I369	F87-F205 HydrophobicContact CE1-CB 4.17Å; F87-F205 AromaticContact CE1-CD1 3.75Å; F87-F205 HydrophobicContact CE1-CD1 3.75Å; F87-F205 HydrophobicContact CE1-CD2 4.25Å; F87-F205 HydrophobicContact CE1-CE1 4.18Å; F87-F205 AromaticContact CE1-CG 3.79Å; F87-F205 HydrophobicContact CE1-CG 3.79Å; F87-F205 HydrophobicContact CZ-CB 3.98Å; F87-F205 HydrophobicContact CZ-CD1 4.25Å; F87-F205 HydrophobicContact CZ-CG 4.11Å; H162-F205 HydrophobicContact CB-CB 4.25Å; H162-F205 WeakPolarHBondContact O-CA 3.18Å; L165-F205 HydrophobicContact CB-CD2 4.19Å; L165-F205 HydrophobicContact CB-CE2 4.49Å; L165-F205 HydrophobicContact CD2-CD2 4.2Å; L165-F205 HydrophobicContact CD2-CE2 4.32Å; L165-F205 HydrophobicContact CG-CD2 3.94Å; L165-F205 HydrophobicContact CG-CE2 3.88Å; G166-F205 VanDerWaalsContact CA-CD2 3.49Å; F169-F205 HydrophobicContact CB-CE2 4.1Å; F169-F205 HydrophobicContact CB-CZ 4.05Å; F169-F205 HydrophobicContact CD1-CE2 4.15Å; F169-F205 AromaticContact CD1-CZ 3.67Å; F169-F205 HydrophobicContact CD1-CZ 3.67Å; F169-F205 AromaticContact CD2-CE2 3.88Å; F169-F205 HydrophobicContact CD2-CE2 3.88Å; F169-F205 HydrophobicContact CD2-CZ 4.25Å; F169-F205 HydrophobicContact CE1-CZ 4.23Å; F169-F205 HydrophobicContact CE2-CE2 4.43Å; F169-F205 AromaticContact CG-CE2 3.76Å; F169-F205 HydrophobicContact CG-CE2 3.76Å; F169-F205 AromaticContact CG-CZ 3.71Å; F169-F205 HydrophobicContact CG-CZ 3.71Å; S201-F205 WeakPolarHBondContact O-CB 3.2Å; S201-F205 PolarHBondContact O-N 3.39Å; L203-F205 PolarHBondContact O-N 2.85Å; F205-T207 VanDerWaalsContact C-N 3.35Å; F205-T207 PolarHBondContact O-N 2.78Å; F205-E208 PolarHBondContact O-N 3.09Å; F205-F209 HydrophobicContact CE1-CB 4.17Å; F205-F209 AromaticContact CE1-CD1 3.6Å; F205-F209 HydrophobicContact CE1-CD1 3.6Å; F205-F209 HydrophobicContact CE1-CE1 4.43Å; F205-F209 HydrophobicContact CE1-CG 4.25Å; F205-F209 HydrophobicContact CZ-CB 4.27Å; F205-F209 AromaticContact CZ-CD1 3.79Å; F205-F209 HydrophobicContact CZ-CD1 3.79Å; F205-F209 HydrophobicContact CZ-CE1 4.47Å; F205-F209 HydrophobicContact CZ-CG 4.22Å; F205-F209 WeakPolarHBondContact O-CB 3.25Å; F205-F209 PolarHBondContact O-N 2.96Å; F205-I369 HydrophobicContact CD1-CD1 4.17Å; F205-I369 HydrophobicContact CD1-CG2 4.12Å; F205-I369 HydrophobicContact CE1-CD1 3.67Å; F205-I369 HydrophobicContact CE1-CG1 4.01Å; F205-I369 HydrophobicContact CE1-CG2 4.16Å
206	S	98.6	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.2	-28	-176.3	-55.3	0	0	0	0	113.1	A202 L203 A204 L210 Y211	A202-S206 WeakPolarHBondContact O-CB 3.46Å; A202-S206 PolarHBondContact O-N 2.75Å; A202-S206 PolarHBondContact O-OG 3.45Å; L203-S206 PolarHBondContact O-N 3.47Å; A204-S206 PolarHBondContact O-N 2.94Å; S206-L210 WeakPolarHBondContact O-CA 3.04Å; S206-L210 WeakPolarHBondContact O-CB 3.46Å; S206-L210 PolarHBondContact O-N 2.95Å; S206-Y211 PolarHBondContact O-N 3.12Å
207	T	97.9	Very high	96.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-44.1	174.3	-70.8	0	0	0	0	111.3	Y118 L121 I127 L203 A204 F205 Y211	Y118-T207 HydrophobicContact CE2-CG2 4.36Å; L121-T207 HydrophobicContact CD2-CG2 3.64Å; L121-T207 HydrophobicContact CG-CG2 4.18Å; I127-T207 HydrophobicContact CD1-CG2 4Å; L203-T207 WeakPolarHBondContact O-CB 3.34Å; L203-T207 PolarHBondContact O-N 3Å; L203-T207 PolarHBondContact O-OG1 2.69Å; A204-T207 PolarHBondContact O-N 3.46Å; F205-T207 VanDerWaalsContact C-N 3.35Å; F205-T207 PolarHBondContact O-N 2.78Å; T207-Y211 WeakPolarHBondContact O-CB 3.3Å
208	E	97.8	Very high	96.1	Very high	34 Å²	34	27 Å²	27	16%	0.159	14%	0.139	C	C	.	.	H	α-helix	trans	-81.5	-35.7	178.4	-79.8	-65.5	140.1	0	0	113	L163 K167 R170 A204 F205 K212	L163-E208 HydrophobicContact CB-CG 4.27Å; L163-E208 HydrophobicContact CD2-CG 3.63Å; K167-E208 HydrophobicContact CB-CB 4.35Å; K167-E208 HydrophobicContact CB-CG 4.43Å; R170-E208 WeakPolarHBondContact CD-O 3.08Å; R170-E208 IonicContact CZ-OE2 2.59Å; R170-E208 IonicContact NH2-OE2 2.72Å; R170-E208 PolarHBondContact NH2-OE2 2.68Å; A204-E208 PolarHBondContact O-N 2.75Å; F205-E208 PolarHBondContact O-N 3.09Å; E208-K212 WeakPolarHBondContact O-CG 3.33Å
209	F	98.1	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-82.7	-56.4	-177.4	-176.3	-139.4	0	0	0	113.4	I83 F169 R170 Y173 F179 F205 Q213 I367 I369	I83-F209 HydrophobicContact CD1-CE1 3.84Å; I83-F209 HydrophobicContact CD1-CZ 3.66Å; F169-F209 HydrophobicContact CB-CD1 4.49Å; F169-F209 HydrophobicContact CB-CD2 3.79Å; F169-F209 HydrophobicContact CB-CE2 4.01Å; F169-F209 HydrophobicContact CB-CG 4.05Å; F169-F209 HydrophobicContact CB-CZ 4.46Å; R170-F209 HydrophobicContact CB-CD2 4.09Å; Y173-F209 HydrophobicContact CD2-CE2 4.13Å; Y173-F209 HydrophobicContact CD2-CZ 4.1Å; F179-F209 AromaticContact CE2-CE2 3.92Å; F179-F209 HydrophobicContact CE2-CE2 3.92Å; F179-F209 HydrophobicContact CE2-CZ 4.21Å; F179-F209 AromaticContact CZ-CE2 3.82Å; F179-F209 HydrophobicContact CZ-CE2 3.82Å; F179-F209 AromaticContact CZ-CZ 3.88Å; F179-F209 HydrophobicContact CZ-CZ 3.88Å; F205-F209 HydrophobicContact CE1-CB 4.17Å; F205-F209 AromaticContact CE1-CD1 3.6Å; F205-F209 HydrophobicContact CE1-CD1 3.6Å; F205-F209 HydrophobicContact CE1-CE1 4.43Å; F205-F209 HydrophobicContact CE1-CG 4.25Å; F205-F209 HydrophobicContact CZ-CB 4.27Å; F205-F209 AromaticContact CZ-CD1 3.79Å; F205-F209 HydrophobicContact CZ-CD1 3.79Å; F205-F209 HydrophobicContact CZ-CE1 4.47Å; F205-F209 HydrophobicContact CZ-CG 4.22Å; F205-F209 WeakPolarHBondContact O-CB 3.25Å; F205-F209 PolarHBondContact O-N 2.96Å; F209-Q213 WeakPolarHBondContact O-CG 3.39Å; F209-I367 HydrophobicContact CE1-CG2 4.16Å; F209-I369 HydrophobicContact CD1-CD1 4.12Å; F209-I369 HydrophobicContact CE1-CD1 4.38Å
210	L	97	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-45.4	-168.4	-59.1	174	0	0	0	112.8	F130 V190 S206 K212 Q213 R214 L217 I220 I367 I369	F130-L210 HydrophobicContact CE1-CB 4.3Å; V190-L210 HydrophobicContact CG2-CD1 3.66Å; S206-L210 WeakPolarHBondContact O-CA 3.04Å; S206-L210 WeakPolarHBondContact O-CB 3.46Å; S206-L210 PolarHBondContact O-N 2.95Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.41Å; L210-Q213 CarbonylContact O-C 3.24Å; L210-Q213 VanDerWaalsContact O-C 3.24Å; L210-Q213 VanDerWaalsContact O-CA 3.31Å; L210-Q213 WeakPolarHBondContact O-CA 3.48Å; L210-Q213 WeakPolarHBondContact O-CB 3.33Å; L210-Q213 PolarHBondContact O-N 2.99Å; L210-R214 PolarHBondContact O-N 3.42Å; L210-R214 VanDerWaalsContact O-N 3.15Å; L210-L217 HydrophobicContact CB-CD1 4.03Å; L210-L217 HydrophobicContact CD2-CD1 4Å; L210-I220 HydrophobicContact CB-CD1 3.97Å; L210-I220 HydrophobicContact CD1-CD1 3.52Å; L210-I220 HydrophobicContact CG-CD1 4.23Å; L210-I367 HydrophobicContact CD2-CD1 4.37Å; L210-I367 HydrophobicContact CD2-CG2 4.25Å; L210-I369 HydrophobicContact CD1-CD1 3.5Å; L210-I369 VanDerWaalsContact CD1-CD1 3.5Å; L210-I369 HydrophobicContact CD2-CD1 4.26Å; L210-I369 HydrophobicContact CG-CD1 4.08Å
211	Y	96.4	Very high	95.9	Very high	22 Å²	22	35.7 Å²	35.7	9%	0.086	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-65.7	-32.2	-178	173.9	-100.9	0	0	0	112.7	L121 E126 I127 F130 S206 T207 Q213 R214	L121-Y211 HydrophobicContact CD1-CE1 4.33Å; E126-Y211 HydrophobicContact CB-CE2 4.45Å; E126-Y211 WeakPolarHBondContact CB-OH 3.48Å; I127-Y211 HydrophobicContact CD1-CD1 3.28Å; I127-Y211 HydrophobicContact CD1-CD2 3.53Å; I127-Y211 HydrophobicContact CD1-CE1 3.49Å; I127-Y211 VanDerWaalsContact CD1-CE1 3.49Å; I127-Y211 HydrophobicContact CD1-CE2 3.72Å; I127-Y211 HydrophobicContact CD1-CG 3.27Å; I127-Y211 HydrophobicContact CG1-CD1 4.37Å; I127-Y211 HydrophobicContact CG1-CD2 4.48Å; I127-Y211 HydrophobicContact CG1-CE1 4.11Å; I127-Y211 HydrophobicContact CG1-CE2 4.23Å; F130-Y211 HydrophobicContact CB-CD2 3.74Å; F130-Y211 HydrophobicContact CB-CE2 4.04Å; F130-Y211 AromaticContact CD1-CD2 3.57Å; F130-Y211 HydrophobicContact CD1-CD2 3.57Å; F130-Y211 HydrophobicContact CD1-CG 4.21Å; F130-Y211 HydrophobicContact CD2-CD2 4.46Å; F130-Y211 VanDerWaalsContact CE1-CA 3.49Å; F130-Y211 HydrophobicContact CE1-CD2 4.31Å; F130-Y211 AromaticContact CG-CD2 3.67Å; F130-Y211 HydrophobicContact CG-CD2 3.67Å; F130-Y211 HydrophobicContact CG-CE2 4.36Å; S206-Y211 PolarHBondContact O-N 3.12Å; T207-Y211 WeakPolarHBondContact O-CB 3.3Å; Y211-Q213 PolarHBondContact O-N 3.38Å; Y211-R214 HydrophobicContact CD2-CB 4.42Å; Y211-R214 WeakPolarHBondContact O-CB 3.45Å; Y211-R214 WeakPolarHBondContact O-CD 3.38Å; Y211-R214 WeakPolarHBondContact O-CG 3.42Å; Y211-R214 PolarHBondContact O-N 3.11Å; Y211-R214 VanDerWaalsContact O-N 3.13Å; Y211-R214 PolarHBondContact O-NH1 3.25Å
212	K	92.8	Very high	95.9	Very high	78 Å²	78	35.7 Å²	35.7	34%	0.339	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-67.2	-20.4	172.8	-62.2	-67	-175.9	179.2	0	112.3	R170 E208 L210	R170-K212 VanDerWaalsContact NH1-CG 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.33Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.41Å
213	Q	91.3	Very high	95.8	Very high	16 Å²	16	38.8 Å²	38.8	8%	0.075	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-101.4	16.2	173.9	-65.6	-61.9	-31.2	0	0	113.2	E174 F179 F209 L210 Y211 T215 F216 L217	E174-Q213 VanDerWaalsContact CG-NE2 3.33Å; E174-Q213 PolarHBondContact OE1-NE2 3.08Å; F179-Q213 HydrophobicContact CD1-CB 4.26Å; F179-Q213 HydrophobicContact CD1-CG 4.28Å; F179-Q213 HydrophobicContact CE1-CB 4.06Å; F179-Q213 HydrophobicContact CE1-CG 4.11Å; F179-Q213 HydrophobicContact CZ-CG 4.24Å; F209-Q213 WeakPolarHBondContact O-CG 3.39Å; L210-Q213 CarbonylContact O-C 3.24Å; L210-Q213 VanDerWaalsContact O-C 3.24Å; L210-Q213 VanDerWaalsContact O-CA 3.31Å; L210-Q213 WeakPolarHBondContact O-CA 3.48Å; L210-Q213 WeakPolarHBondContact O-CB 3.33Å; L210-Q213 PolarHBondContact O-N 2.99Å; Y211-Q213 PolarHBondContact O-N 3.38Å; Q213-T215 PolarHBondContact O-N 2.99Å; Q213-F216 PolarHBondContact O-N 2.03Å; Q213-F216 VanDerWaalsContact OE1-CD2 3.31Å; Q213-L217 HydrophobicContact CB-CD1 4.17Å
214	R	92.4	Very high	95.7	Very high	115 Å²	115	39.2 Å²	39.2	43%	0.434	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.1	-17.3	-174	67.7	-165.8	177.1	-68.5	-5	115.5	F130 L210 Y211 F216 L217	F130-R214 HydrophobicContact CD2-CB 3.83Å; F130-R214 HydrophobicContact CE1-CB 4.47Å; F130-R214 HydrophobicContact CE2-CB 3.43Å; F130-R214 VanDerWaalsContact CE2-CB 3.43Å; F130-R214 HydrophobicContact CZ-CB 3.79Å; L210-R214 PolarHBondContact O-N 3.42Å; L210-R214 VanDerWaalsContact O-N 3.15Å; Y211-R214 HydrophobicContact CD2-CB 4.42Å; Y211-R214 WeakPolarHBondContact O-CB 3.45Å; Y211-R214 WeakPolarHBondContact O-CD 3.38Å; Y211-R214 WeakPolarHBondContact O-CG 3.42Å; Y211-R214 PolarHBondContact O-N 3.11Å; Y211-R214 VanDerWaalsContact O-N 3.13Å; Y211-R214 PolarHBondContact O-NH1 3.25Å; R214-F216 PolarHBondContact O-N 3.42Å; R214-L217 PolarHBondContact O-N 2.76Å
215	T	91.1	Very high	95.5	Very high	113 Å²	113	39.5 Å²	39.5	69%	0.693	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-65.8	-26	174.5	48.3	0	0	0	0	112.5	Q213	Q213-T215 PolarHBondContact O-N 2.99Å
216	F	89.6	Confident	95	Very high	97 Å²	97	41.3 Å²	41.3	43%	0.425	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-101.8	-3	-179.9	-53.5	-74.6	0	0	0	113.3	I186 Q213 R214	I186-F216 HydrophobicContact CD1-CB 3.79Å; Q213-F216 PolarHBondContact O-N 2.03Å; Q213-F216 VanDerWaalsContact OE1-CD2 3.31Å; R214-F216 PolarHBondContact O-N 3.42Å
217	L	92.4	Very high	94.3	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.063	23%	0.23	C	C	.	.			trans	-126.3	134.3	-167.9	-68.5	169.3	0	0	0	110.8	F130 I186 A188 L210 Q213 R214 I220	F130-L217 HydrophobicContact CE2-CB 4.16Å; F130-L217 HydrophobicContact CZ-CB 3.91Å; F130-L217 HydrophobicContact CZ-CD1 4.32Å; I186-L217 HydrophobicContact CB-CD2 3.82Å; I186-L217 HydrophobicContact CG2-CD2 3.5Å; I186-L217 VanDerWaalsContact CG2-CD2 3.5Å; A188-L217 HydrophobicContact CB-CD2 3.88Å; L210-L217 HydrophobicContact CB-CD1 4.03Å; L210-L217 HydrophobicContact CD2-CD1 4Å; Q213-L217 HydrophobicContact CB-CD1 4.17Å; R214-L217 PolarHBondContact O-N 2.76Å; L217-I220 HydrophobicContact CD1-CD1 4.49Å
218	A	93.6	Very high	93.3	Very high	75 Å²	75	44.6 Å²	44.6	62%	0.62	23%	0.23	S	C	*	.			trans	-66.5	157.3	163.6	0	0	0	0	0	110.3	I220	A218-I220 WeakPolarHBondContact O-CG1 3.26Å; A218-I220 PolarHBondContact O-N 2.76Å
219	P	96.9	Very high	92.7	Very high	81 Å²	81	43.8 Å²	43.8	53%	0.526	23%	0.226	S	C	.	.			trans	-50.5	136.7	169.8	-27.9	35.8	0	0	0	112	F130	F130-P219 CarbonylContact O-C 3.54Å; F130-P219 WeakPolarHBondContact O-CA 3.3Å
220	I	97.8	Very high	92.5	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.7	-171.2	-59.5	175	0	0	0	109.2	F130 L131 K132 A188 V190 L210 L217 A218	F130-I220 HydrophobicContact CE1-CD1 4.07Å; F130-I220 HydrophobicContact CE1-CG1 4.43Å; F130-I220 HydrophobicContact CZ-CD1 4.08Å; F130-I220 HydrophobicContact CZ-CG1 4.31Å; F130-I220 PolarHBondContact O-N 2.92Å; L131-I220 HydrophobicContact CD2-CB 4.21Å; K132-I220 PolarHBondContact N-O 2.85Å; A188-I220 HydrophobicContact CB-CD1 3.86Å; A188-I220 HydrophobicContact CB-CG1 4.41Å; V190-I220 HydrophobicContact CB-CG2 4.14Å; V190-I220 HydrophobicContact CG2-CG2 3.72Å; L210-I220 HydrophobicContact CB-CD1 3.97Å; L210-I220 HydrophobicContact CD1-CD1 3.52Å; L210-I220 HydrophobicContact CG-CD1 4.23Å; L217-I220 HydrophobicContact CD1-CD1 4.49Å; A218-I220 WeakPolarHBondContact O-CG1 3.26Å; A218-I220 PolarHBondContact O-N 2.76Å
221	Q	97.2	Very high	92.3	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.2	168	-175.5	173.8	3.1	0	0	109.6	K132 K223	K132-Q221 CarbonylContact O-C 3.58Å; K132-Q221 WeakPolarHBondContact O-CA 3.43Å; Q221-K223 PolarHBondContact O-N 2.68Å
222	I	98	Very high	92.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	108.3	169.6	-57.2	-175.4	0	0	0	107.6	K132 L133 D134 L137 V190 L203	K132-I222 PolarHBondContact O-N 3.4Å; L133-I222 HydrophobicContact CD2-CB 4.06Å; L133-I222 HydrophobicContact CD2-CD1 4Å; L133-I222 HydrophobicContact CD2-CG1 4.42Å; L133-I222 HydrophobicContact CD2-CG2 4.45Å; D134-I222 VanDerWaalsContact CB-O 3.25Å; D134-I222 WeakPolarHBondContact CB-O 3.3Å; D134-I222 PolarHBondContact N-O 3.29Å; L137-I222 HydrophobicContact CD1-CG2 3.87Å; V190-I222 HydrophobicContact CB-CG1 4.15Å; V190-I222 HydrophobicContact CG1-CB 4.5Å; V190-I222 HydrophobicContact CG1-CD1 4.37Å; V190-I222 HydrophobicContact CG1-CG1 3.99Å; V190-I222 HydrophobicContact CG1-CG2 4.15Å; V190-I222 CarbonylContact O-C 3.53Å; V190-I222 WeakPolarHBondContact O-CA 3.35Å; L203-I222 HydrophobicContact CD2-CD1 3.61Å; L203-I222 HydrophobicContact CG-CD1 4.01Å
223	K	97.7	Very high	92	Very high	64 Å²	64	46.6 Å²	46.6	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	142.2	-176.2	-64.9	169.2	-179.6	166.6	0	111	D189 V190 V191 S192 Q221 I232	D189-K223 IonicContact OD1-NZ 2.9Å; D189-K223 PolarHBondContact OD1-NZ 3.18Å; V190-K223 PolarHBondContact O-N 3.34Å; V191-K223 WeakPolarHBondContact CA-O 3.05Å; V191-K223 HydrophobicContact CG2-CB 4.34Å; S192-K223 PolarHBondContact N-O 3.04Å; Q221-K223 PolarHBondContact O-N 2.68Å; K223-I232 HydrophobicContact CD-CD1 4.08Å
224	A	96.6	Very high	91.8	Very high	12 Å²	12	53.7 Å²	53.7	10%	0.099	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.2	171.7	0	0	0	0	0	110.6	D134 Q136 L137 K194 I232	D134-A224 HydrophobicContact CB-CB 4.25Å; Q136-A224 HydrophobicContact CB-CB 3.82Å; L137-A224 HydrophobicContact CD1-CB 4.31Å; L137-A224 HydrophobicContact CD2-CB 3.83Å; L137-A224 HydrophobicContact CG-CB 3.88Å; K194-A224 HydrophobicContact CD-CB 4.25Å; K194-A224 HydrophobicContact CG-CB 4.13Å; A224-I232 WeakPolarHBondContact O-CG2 3.27Å
225	S	94.3	Very high	91.6	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	175.7	174.1	60.1	0	0	0	0	111.3	V191 S192 S193 H230	V191-S225 WeakPolarHBondContact CG1-OG 3.46Å; S192-S225 VanDerWaalsContact C-OG 3.23Å; S192-S225 PolarHBondContact O-N 3.49Å; S192-S225 PolarHBondContact O-OG 3.35Å; S193-S225 PolarHBondContact N-OG 2.77Å; S225-H230 PolarHBondContact OG-ND1 3.23Å
226	N	87.6	Confident	91.5	Very high	37 Å²	37	47.7 Å²	47.7	20%	0.198	26%	0.26	C	S	.	.			trans	-68.2	-178.8	170.6	68.4	12.3	0	0	0	112.2	S193 Y229 H230 C231	S193-N226 WeakPolarHBondContact CB-O 2.96Å; N226-Y229 VanDerWaalsContact ND2-CD1 3.29Å; N226-Y229 WeakPolarHBondContact ND2-CD1 3.47Å; N226-Y229 VanDerWaalsContact ND2-CD2 3.29Å; N226-Y229 WeakPolarHBondContact ND2-CD2 3.36Å; N226-Y229 WeakPolarHBondContact ND2-CE1 3.5Å; N226-Y229 WeakPolarHBondContact ND2-CE2 3.24Å; N226-Y229 PolarHBondContact ND2-OH 2.02Å; N226-Y229 PolarHBondContact OD1-N 3.13Å; N226-H230 VanDerWaalsContact OD1-CA 3.3Å; N226-H230 WeakPolarHBondContact OD1-CA 3.46Å; N226-H230 PolarHBondContact OD1-N 2.82Å; N226-C231 WeakPolarHBondContact ND2-CB 2.85Å; N226-C231 PolarHBondContact OD1-N 2.87Å; N226-C231 VanDerWaalsContact OD1-N 3.11Å
227	F	83.6	Confident	91.5	Very high	70 Å²	70	45.2 Å²	45.2	31%	0.307	26%	0.257	S	S	.	.	S	Bend	trans	-70.7	-67	-170.6	173.6	-130.7	0	0	0	113.6	Y195 H373 V375	Y195-F227 AromaticContact CD2-CD2 3.94Å; Y195-F227 HydrophobicContact CD2-CD2 3.94Å; Y195-F227 HydrophobicContact CD2-CE2 4.31Å; Y195-F227 HydrophobicContact CE2-CB 4.38Å; Y195-F227 AromaticContact CE2-CD2 3.23Å; Y195-F227 HydrophobicContact CE2-CD2 3.23Å; Y195-F227 AromaticContact CE2-CE2 3.71Å; Y195-F227 HydrophobicContact CE2-CE2 3.71Å; Y195-F227 HydrophobicContact CE2-CG 4.05Å; Y195-F227 AromaticContact CZ-CD2 3.89Å; F227-H373 AromaticContact CD2-CD2 3.48Å; F227-H373 VanDerWaalsContact CD2-CD2 3.48Å; F227-H373 WeakPolarHBondContact CD2-CD2 3.46Å; F227-H373 AromaticContact CD2-NE2 3.38Å; F227-H373 WeakPolarHBondContact CD2-NE2 3.31Å; F227-H373 AromaticContact CE2-CD2 3.33Å; F227-H373 WeakPolarHBondContact CE2-CD2 3.36Å; F227-H373 AromaticContact CE2-CE1 3.61Å; F227-H373 AromaticContact CE2-CG 3.62Å; F227-H373 AromaticContact CE2-ND1 3.79Å; F227-H373 AromaticContact CE2-NE2 3.33Å; F227-H373 VanDerWaalsContact CE2-NE2 3.33Å; F227-H373 WeakPolarHBondContact CE2-NE2 3.45Å; F227-H373 PolarHBondContact O-CD2 3.07Å; F227-V375 HydrophobicContact CE1-CG2 3.83Å; F227-V375 HydrophobicContact CE2-CG2 4.33Å; F227-V375 HydrophobicContact CZ-CG2 3.7Å
228	S	77.9	Confident	91.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	26%	0.257	C	S	.	.	S	Bend	trans	-95.1	-31.7	-167.2	50.2	0	0	0	0	114.7	H241 E343 T376	S228-H241 PolarHBondContact OG-CE1 3.1Å; S228-H241 PolarHBondContact OG-NE2 2.98Å; S228-E343 WeakPolarHBondContact CB-OE1 3.39Å; S228-E343 PolarHBondContact OG-OE1 2.91Å; S228-T376 WeakPolarHBondContact O-CA 3.21Å; S228-T376 WeakPolarHBondContact O-CB 3.17Å; S228-T376 PolarHBondContact O-OG1 2.86Å
229	Y	85.4	Confident	91.2	Very high	16 Å²	16	50.5 Å²	50.5	6%	0.063	27%	0.27	C	S	.	.	S	Bend	trans	-111.2	3.4	-167.5	59.6	-76.9	0	0	0	115.5	N226 C231 C236 C238 H241 E343 P346	N226-Y229 VanDerWaalsContact ND2-CD1 3.29Å; N226-Y229 WeakPolarHBondContact ND2-CD1 3.47Å; N226-Y229 VanDerWaalsContact ND2-CD2 3.29Å; N226-Y229 WeakPolarHBondContact ND2-CD2 3.36Å; N226-Y229 WeakPolarHBondContact ND2-CE1 3.5Å; N226-Y229 WeakPolarHBondContact ND2-CE2 3.24Å; N226-Y229 PolarHBondContact ND2-OH 2.02Å; N226-Y229 PolarHBondContact OD1-N 3.13Å; Y229-C231 HydrophobicContact CD2-CB 3.69Å; Y229-C231 HydrophobicContact CE2-CB 3.63Å; Y229-C231 PolarHBondContact O-N 3.29Å; Y229-C231 VanDerWaalsContact O-N 3.09Å; Y229-C236 WeakPolarHBondContact CE2-O 3.37Å; Y229-C238 PolarHBondContact OH-N 2.95Å; Y229-C238 PolarHBondContact OH-O 3.03Å; Y229-H241 AromaticContact CD1-CD2 3.63Å; Y229-H241 AromaticContact CD1-NE2 3.66Å; Y229-H241 HydrophobicContact CE1-CB 3.95Å; Y229-H241 AromaticContact CE1-CD2 3.34Å; Y229-H241 WeakPolarHBondContact CE1-CD2 3.44Å; Y229-H241 AromaticContact CE1-CE1 3.85Å; Y229-H241 AromaticContact CE1-CG 3.33Å; Y229-H241 AromaticContact CE1-ND1 3.64Å; Y229-H241 AromaticContact CE1-NE2 3.7Å; Y229-E343 WeakPolarHBondContact CA-O 3.37Å; Y229-E343 WeakPolarHBondContact CB-O 3.39Å; Y229-P346 HydrophobicContact CD2-CG 3.57Å; Y229-P346 HydrophobicContact CG-CG 4.29Å; Y229-P346 WeakPolarHBondContact O-CB 3.46Å; Y229-P346 WeakPolarHBondContact O-CG 3.23Å
230	H	92.3	Very high	91	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.			trans	49	32.6	178.6	-68.3	-82.3	0	0	0	115.7	V191 S193 S225 N226 I232 I347 Y350 F370 S371 G372 T376	V191-H230 HydrophobicContact CG1-CB 4.47Å; S193-H230 PolarHBondContact N-CE1 3.25Å; S225-H230 PolarHBondContact OG-ND1 3.23Å; N226-H230 VanDerWaalsContact OD1-CA 3.3Å; N226-H230 WeakPolarHBondContact OD1-CA 3.46Å; N226-H230 PolarHBondContact OD1-N 2.82Å; H230-I232 PolarHBondContact O-N 3.23Å; H230-I347 HydrophobicContact CB-CD1 4.03Å; H230-I347 HydrophobicContact CB-CG1 4.11Å; H230-Y350 WeakPolarHBondContact O-CE2 3.34Å; H230-F370 HydrophobicContact CB-CD1 3.84Å; H230-F370 HydrophobicContact CB-CE1 4.37Å; H230-S371 PolarHBondContact CE1-O 3.5Å; H230-G372 WeakPolarHBondContact NE2-CA 3.42Å; H230-T376 WeakPolarHBondContact CD2-CG2 3.46Å; H230-T376 PolarHBondContact NE2-OG1 3.25Å
231	C	93.1	Very high	90.8	Very high	13 Å²	13	48.7 Å²	48.7	9%	0.088	26%	0.255	C	S	.	.			trans	-70.2	129	173.7	-179.8	0	0	0	0	110.3	N226 Y229 D233 C236 A237 P346	N226-C231 WeakPolarHBondContact ND2-CB 2.85Å; N226-C231 PolarHBondContact OD1-N 2.87Å; N226-C231 VanDerWaalsContact OD1-N 3.11Å; Y229-C231 HydrophobicContact CD2-CB 3.69Å; Y229-C231 HydrophobicContact CE2-CB 3.63Å; Y229-C231 PolarHBondContact O-N 3.29Å; Y229-C231 VanDerWaalsContact O-N 3.09Å; C231-D233 PolarHBondContact SG-O 3.01Å; C231-C236 WeakPolarHBondContact CA-SG 3.42Å; C231-C236 HydrophobicContact CB-CB 3.94Å; C231-C236 WeakPolarHBondContact CB-SG 3.36Å; C231-C236 WeakPolarHBondContact SG-CA 3.32Å; C231-C236 WeakPolarHBondContact SG-CB 3.31Å; C231-C236 PolarHBondContact SG-O 2.88Å; C231-C236 CovalentContact SG-SG 2.03Å; C231-C236 PolarHBondContact SG-SG 3.27Å; C231-A237 PolarHBondContact SG-N 3.46Å; C231-A237 VanDerWaalsContact SG-N 3.44Å; C231-P346 HydrophobicContact CB-CB 4.26Å; C231-P346 HydrophobicContact CB-CG 4.1Å
232	I	93.1	Very high	90.5	Very high	67 Å²	67	52.3 Å²	52.3	34%	0.344	27%	0.269	S	S	.	.			trans	-120.3	-10.9	176.4	60.3	165.7	0	0	0	112.2	V191 K223 A224 H230 Y350	V191-I232 HydrophobicContact CG1-CG2 3.9Å; K223-I232 HydrophobicContact CD-CD1 4.08Å; A224-I232 WeakPolarHBondContact O-CG2 3.27Å; H230-I232 PolarHBondContact O-N 3.23Å; I232-Y350 HydrophobicContact CG1-CE1 4.35Å; I232-Y350 HydrophobicContact CG1-CE2 4.46Å; I232-Y350 VanDerWaalsContact CG1-OH 3.25Å; I232-Y350 WeakPolarHBondContact CG1-OH 3.33Å; I232-Y350 PolarHBondContact N-OH 3.4Å
233	D	91.1	Very high	90.3	Very high	79 Å²	79	55.6 Å²	55.6	42%	0.422	29%	0.292	S	S	.	.	S	Bend	trans	-112.3	152.6	-177.9	-65.7	-62.7	0	0	0	111.7	C231 S235 C236 Y350	C231-D233 PolarHBondContact SG-O 3.01Å; D233-S235 PolarHBondContact O-N 3.08Å; D233-C236 PolarHBondContact O-N 3.41Å; D233-C236 PolarHBondContact O-SG 3.41Å; D233-Y350 VanDerWaalsContact OD2-CE1 3.26Å; D233-Y350 WeakPolarHBondContact OD2-CE1 3.4Å
234	Q	87.1	Confident	90.2	Very high	166 Å²	166	52.9 Å²	52.9	78%	0.776	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-62.8	-27.8	179.1	-170.7	63.1	15.1	0	0	112.8	C236 A237	Q234-C236 PolarHBondContact O-N 3.17Å; Q234-A237 WeakPolarHBondContact O-CB 3.34Å; Q234-A237 PolarHBondContact O-N 2.88Å
235	S	86.7	Confident	90.1	Very high	97 Å²	97	53.9 Å²	53.9	68%	0.678	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67	-21.7	-177.6	56.8	0	0	0	0	114.2	D233	D233-S235 PolarHBondContact O-N 3.08Å
236	C	89.6	Confident	90.1	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.027	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-108.3	5.5	177.3	56.1	0	0	0	0	113	Y229 C231 D233 Q234 P346 Y350 F460	Y229-C236 WeakPolarHBondContact CE2-O 3.37Å; C231-C236 WeakPolarHBondContact CA-SG 3.42Å; C231-C236 HydrophobicContact CB-CB 3.94Å; C231-C236 WeakPolarHBondContact CB-SG 3.36Å; C231-C236 WeakPolarHBondContact SG-CA 3.32Å; C231-C236 WeakPolarHBondContact SG-CB 3.31Å; C231-C236 PolarHBondContact SG-O 2.88Å; C231-C236 CovalentContact SG-SG 2.03Å; C231-C236 PolarHBondContact SG-SG 3.27Å; D233-C236 PolarHBondContact O-N 3.41Å; D233-C236 PolarHBondContact O-SG 3.41Å; Q234-C236 PolarHBondContact O-N 3.17Å; C236-P346 HydrophobicContact CB-CB 3.96Å; C236-P346 HydrophobicContact CB-CG 3.97Å; C236-Y350 PolarHBondContact SG-OH 3.24Å; C236-Y350 VanDerWaalsContact SG-OH 3.38Å; C236-F460 VanDerWaalsContact C-CE1 3.5Å; C236-F460 WeakPolarHBondContact O-CE1 3.15Å; C236-F460 VanDerWaalsContact O-CZ 3.25Å; C236-F460 WeakPolarHBondContact O-CZ 3.24Å
237	A	90	Very high	90.5	Very high	46 Å²	46	63.2 Å²	63.2	38%	0.38	32%	0.318	S	S	.	.			trans	-73.6	132.2	-177.2	0	0	0	0	0	111.1	C231 Q234	C231-A237 PolarHBondContact SG-N 3.46Å; C231-A237 VanDerWaalsContact SG-N 3.44Å; Q234-A237 WeakPolarHBondContact O-CB 3.34Å; Q234-A237 PolarHBondContact O-N 2.88Å
238	C	91.3	Very high	91.1	Very high	9 Å²	9	60.3 Å²	60.3	6%	0.061	31%	0.305	C	S	.	.			trans	-128.8	109	178.8	-162.9	0	0	0	0	111.4	Y229 I240 H241 M342 F460 C464	Y229-C238 PolarHBondContact OH-N 2.95Å; Y229-C238 PolarHBondContact OH-O 3.03Å; C238-I240 PolarHBondContact O-N 2.62Å; C238-H241 HydrophobicContact CB-CB 4.24Å; C238-H241 VanDerWaalsContact O-CB 3.3Å; C238-H241 WeakPolarHBondContact O-CB 3.35Å; C238-H241 PolarHBondContact O-N 2.96Å; C238-M342 HydrophobicContact CB-CG 4.49Å; C238-M342 HydrophobicContact CB-SD 3.77Å; C238-M342 PolarHBondContact SG-SD 2.99Å; C238-F460 HydrophobicContact CB-CZ 4.26Å; C238-C464 VanDerWaalsContact CA-SG 3.59Å; C238-C464 HydrophobicContact CB-CB 4.24Å; C238-C464 WeakPolarHBondContact CB-SG 3.39Å; C238-C464 WeakPolarHBondContact SG-CA 3.22Å; C238-C464 WeakPolarHBondContact SG-CB 3.32Å; C238-C464 CovalentContact SG-SG 2.04Å; C238-C464 PolarHBondContact SG-SG 2.84Å
239	Q	89.1	Confident	91.9	Very high	188 Å²	188	64.9 Å²	64.9	88%	0.879	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-36	-172	-67.6	-178.1	-10.2	0	0	113	H241	Q239-H241 VanDerWaalsContact C-N 3.28Å; Q239-H241 PolarHBondContact O-N 2.72Å
240	I	91.6	Very high	92.4	Very high	32 Å²	32	69.1 Å²	69.1	16%	0.164	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1	-178.9	67.5	167.6	0	0	0	113.6	C238 K242 S243 I244 R338 C464 I466	C238-I240 PolarHBondContact O-N 2.62Å; I240-K242 VanDerWaalsContact C-N 3.27Å; I240-K242 PolarHBondContact O-N 3.15Å; I240-S243 WeakPolarHBondContact O-CB 3.14Å; I240-S243 PolarHBondContact O-N 2.89Å; I240-I244 HydrophobicContact CD1-CD1 3.61Å; I240-I244 HydrophobicContact CD1-CG1 4.07Å; I240-I244 HydrophobicContact CG1-CD1 3.79Å; I240-I244 HydrophobicContact CG1-CG1 4.21Å; I240-I244 PolarHBondContact O-N 2.89Å; I240-R338 VanDerWaalsContact CD1-NH2 3.34Å; I240-C464 WeakPolarHBondContact CD1-O 3.35Å; I240-C464 WeakPolarHBondContact CG1-O 3.31Å; I240-I466 HydrophobicContact CD1-CG1 4.34Å
241	H	93.1	Very high	92.6	Very high	17 Å²	17	71.2 Å²	71.2	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-49.6	-47.3	-177.5	166.8	-89.9	0	0	0	112.3	S228 Y229 C238 Q239 S243 I244 R245 M342 E343	S228-H241 PolarHBondContact OG-CE1 3.1Å; S228-H241 PolarHBondContact OG-NE2 2.98Å; Y229-H241 AromaticContact CD1-CD2 3.63Å; Y229-H241 AromaticContact CD1-NE2 3.66Å; Y229-H241 HydrophobicContact CE1-CB 3.95Å; Y229-H241 AromaticContact CE1-CD2 3.34Å; Y229-H241 WeakPolarHBondContact CE1-CD2 3.44Å; Y229-H241 AromaticContact CE1-CE1 3.85Å; Y229-H241 AromaticContact CE1-CG 3.33Å; Y229-H241 AromaticContact CE1-ND1 3.64Å; Y229-H241 AromaticContact CE1-NE2 3.7Å; C238-H241 HydrophobicContact CB-CB 4.24Å; C238-H241 VanDerWaalsContact O-CB 3.3Å; C238-H241 WeakPolarHBondContact O-CB 3.35Å; C238-H241 PolarHBondContact O-N 2.96Å; Q239-H241 VanDerWaalsContact C-N 3.28Å; Q239-H241 PolarHBondContact O-N 2.72Å; H241-S243 VanDerWaalsContact C-N 3.3Å; H241-S243 PolarHBondContact O-N 3.19Å; H241-I244 PolarHBondContact O-N 3.2Å; H241-R245 VanDerWaalsContact O-CB 3.31Å; H241-R245 WeakPolarHBondContact O-CB 3.21Å; H241-R245 PolarHBondContact O-N 3.25Å; H241-M342 HydrophobicContact CB-CE 4.25Å; H241-M342 HydrophobicContact CB-SD 4.22Å; H241-M342 VanDerWaalsContact CD2-CE 3.41Å; H241-M342 WeakPolarHBondContact CD2-CE 3.26Å; H241-E343 IonicContact CD2-OE1 3.71Å; H241-E343 IonicContact CE1-OE1 3.98Å; H241-E343 IonicContact NE2-OE1 3.38Å; H241-E343 PolarHBondContact NE2-OE1 2.7Å
242	K	92.1	Very high	92.7	Very high	175 Å²	175	70.7 Å²	70.7	76%	0.761	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-38.6	179.7	-69	-176	179.3	180	0	112.4	I240 R246	I240-K242 VanDerWaalsContact C-N 3.27Å; I240-K242 PolarHBondContact O-N 3.15Å; K242-R246 PolarHBondContact O-N 3.04Å; K242-R246 VanDerWaalsContact O-N 3.09Å
243	S	93.8	Very high	92.8	Very high	68 Å²	68	70 Å²	70	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-69	-46.4	178.8	-53.6	0	0	0	0	111.1	I240 H241 R245 R246 I247	I240-S243 WeakPolarHBondContact O-CB 3.14Å; I240-S243 PolarHBondContact O-N 2.89Å; H241-S243 VanDerWaalsContact C-N 3.3Å; H241-S243 PolarHBondContact O-N 3.19Å; S243-R245 VanDerWaalsContact C-N 3.31Å; S243-R245 PolarHBondContact O-N 3.25Å; S243-R246 PolarHBondContact O-N 3.27Å; S243-I247 WeakPolarHBondContact O-CG1 3.13Å; S243-I247 PolarHBondContact O-N 2.86Å; S243-I247 VanDerWaalsContact O-N 3.07Å
244	I	93.9	Very high	93.1	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-42.1	175.6	-60.3	175.8	0	0	0	110.6	I240 H241 R246 I247 Y248 V335 L339 M342	I240-I244 HydrophobicContact CD1-CD1 3.61Å; I240-I244 HydrophobicContact CD1-CG1 4.07Å; I240-I244 HydrophobicContact CG1-CD1 3.79Å; I240-I244 HydrophobicContact CG1-CG1 4.21Å; I240-I244 PolarHBondContact O-N 2.89Å; H241-I244 PolarHBondContact O-N 3.2Å; I244-R246 VanDerWaalsContact C-N 3.3Å; I244-R246 PolarHBondContact O-N 3.48Å; I244-I247 PolarHBondContact O-N 3.39Å; I244-Y248 WeakPolarHBondContact O-CB 3.5Å; I244-Y248 PolarHBondContact O-N 3.33Å; I244-V335 HydrophobicContact CG2-CB 3.95Å; I244-V335 HydrophobicContact CG2-CG2 3.81Å; I244-L339 HydrophobicContact CG2-CB 3.89Å; I244-L339 HydrophobicContact CG2-CD1 4.04Å; I244-L339 HydrophobicContact CG2-CG 4.45Å; I244-M342 HydrophobicContact CD1-CE 4.24Å
245	R	94.9	Very high	93.5	Very high	32 Å²	32	64.4 Å²	64.4	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-42.9	177.7	-176.4	73.4	-151.8	-169	11	111.7	H241 S243 Y248 E249 L339 E343	H241-R245 VanDerWaalsContact O-CB 3.31Å; H241-R245 WeakPolarHBondContact O-CB 3.21Å; H241-R245 PolarHBondContact O-N 3.25Å; S243-R245 VanDerWaalsContact C-N 3.31Å; S243-R245 PolarHBondContact O-N 3.25Å; R245-Y248 WeakPolarHBondContact O-CB 3.38Å; R245-Y248 PolarHBondContact O-N 3.23Å; R245-E249 WeakPolarHBondContact CG-OE1 3.3Å; R245-E249 IonicContact CZ-OE1 3.33Å; R245-E249 IonicContact NE-OE1 2.73Å; R245-E249 PolarHBondContact NE-OE1 2.72Å; R245-E249 IonicContact NH2-OE1 3.55Å; R245-E249 WeakPolarHBondContact O-CG 3.49Å; R245-E249 PolarHBondContact O-N 3.46Å; R245-L339 HydrophobicContact CB-CD1 4.43Å; R245-E343 IonicContact NH1-OE1 2.89Å; R245-E343 IonicContact NH1-OE2 3.83Å; R245-E343 PolarHBondContact NH1-OE2 3.35Å
246	R	94.9	Very high	94	Very high	167 Å²	167	59.8 Å²	59.8	63%	0.63	29%	0.288	S	S	*	.	H	α-helix	trans	-63.3	-46.1	176.1	-179.7	179.7	173.1	165.3	2.8	111.9	K242 S243 I244 Y248 E249 E250	K242-R246 PolarHBondContact O-N 3.04Å; K242-R246 VanDerWaalsContact O-N 3.09Å; S243-R246 PolarHBondContact O-N 3.27Å; I244-R246 VanDerWaalsContact C-N 3.3Å; I244-R246 PolarHBondContact O-N 3.48Å; R246-Y248 VanDerWaalsContact C-N 3.3Å; R246-Y248 PolarHBondContact O-N 2.96Å; R246-E249 PolarHBondContact O-N 2.99Å; R246-E250 WeakPolarHBondContact CG-OE1 3.17Å; R246-E250 IonicContact CZ-OE1 4Å; R246-E250 IonicContact NE-OE1 3.87Å; R246-E250 PolarHBondContact NE-OE1 3.1Å; R246-E250 IonicContact NH2-OE1 3.42Å; R246-E250 WeakPolarHBondContact O-CG 3.32Å; R246-E250 PolarHBondContact O-N 2.91Å
247	I	96.4	Very high	94.3	Very high	73 Å²	73	63 Å²	63	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-58.5	-46.2	176	-65.5	165.4	0	0	0	110	S243 I244 E249 E250 E251 V335	S243-I247 WeakPolarHBondContact O-CG1 3.13Å; S243-I247 PolarHBondContact O-N 2.86Å; S243-I247 VanDerWaalsContact O-N 3.07Å; I244-I247 PolarHBondContact O-N 3.39Å; I247-E249 VanDerWaalsContact C-N 3.32Å; I247-E249 PolarHBondContact O-N 3.28Å; I247-E250 PolarHBondContact O-N 3.05Å; I247-E251 HydrophobicContact CG2-CG 4.21Å; I247-E251 WeakPolarHBondContact O-CB 3.35Å; I247-E251 WeakPolarHBondContact O-CG 3.02Å; I247-E251 PolarHBondContact O-N 2.67Å; I247-V335 HydrophobicContact CB-CG2 4.24Å; I247-V335 HydrophobicContact CG2-CG1 3.91Å; I247-V335 HydrophobicContact CG2-CG2 3.93Å
248	Y	95.8	Very high	94.6	Very high	9 Å²	9	66.3 Å²	66.3	4%	0.035	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-44.1	176.2	174.7	-102.2	0	0	0	112.2	I244 R245 R246 E250 E251 H252 M328 A336 L339 Q340	I244-Y248 WeakPolarHBondContact O-CB 3.5Å; I244-Y248 PolarHBondContact O-N 3.33Å; R245-Y248 WeakPolarHBondContact O-CB 3.38Å; R245-Y248 PolarHBondContact O-N 3.23Å; R246-Y248 VanDerWaalsContact C-N 3.3Å; R246-Y248 PolarHBondContact O-N 2.96Å; Y248-E250 VanDerWaalsContact C-N 3.34Å; Y248-E250 PolarHBondContact O-N 3.46Å; Y248-E251 PolarHBondContact O-N 3.44Å; Y248-H252 HydrophobicContact CE1-CB 4.47Å; Y248-H252 AromaticContact CZ-CD2 3.77Å; Y248-H252 WeakPolarHBondContact O-CB 3.44Å; Y248-H252 PolarHBondContact O-N 3.5Å; Y248-H252 PolarHBondContact OH-CD2 3.08Å; Y248-M328 HydrophobicContact CE2-CE 4.34Å; Y248-A336 HydrophobicContact CD2-CB 3.95Å; Y248-A336 HydrophobicContact CE2-CB 3.65Å; Y248-L339 HydrophobicContact CD1-CD2 3.56Å; Y248-L339 HydrophobicContact CD2-CD2 3.93Å; Y248-L339 HydrophobicContact CE1-CD2 4.33Å; Y248-L339 HydrophobicContact CG-CD2 3.32Å; Y248-Q340 PolarHBondContact OH-NE2 3.4Å; Y248-Q340 VanDerWaalsContact OH-NE2 3.13Å
249	E	94.9	Very high	94.8	Very high	97 Å²	97	68.3 Å²	68.3	45%	0.453	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-38.7	179.3	-74.5	165.8	-172.9	0	0	112.1	R245 R246 I247 L253	R245-E249 WeakPolarHBondContact CG-OE1 3.3Å; R245-E249 IonicContact CZ-OE1 3.33Å; R245-E249 IonicContact NE-OE1 2.73Å; R245-E249 PolarHBondContact NE-OE1 2.72Å; R245-E249 IonicContact NH2-OE1 3.55Å; R245-E249 WeakPolarHBondContact O-CG 3.49Å; R245-E249 PolarHBondContact O-N 3.46Å; R246-E249 PolarHBondContact O-N 2.99Å; I247-E249 VanDerWaalsContact C-N 3.32Å; I247-E249 PolarHBondContact O-N 3.28Å; E249-L253 PolarHBondContact O-N 2.97Å
250	E	96.1	Very high	95.1	Very high	104 Å²	104	62.2 Å²	62.2	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-50.1	174.5	-68.9	169.2	-171.9	0	0	111.4	R246 I247 Y248 H252 L253 Q254	R246-E250 WeakPolarHBondContact CG-OE1 3.17Å; R246-E250 IonicContact CZ-OE1 4Å; R246-E250 IonicContact NE-OE1 3.87Å; R246-E250 PolarHBondContact NE-OE1 3.1Å; R246-E250 IonicContact NH2-OE1 3.42Å; R246-E250 WeakPolarHBondContact O-CG 3.32Å; R246-E250 PolarHBondContact O-N 2.91Å; I247-E250 PolarHBondContact O-N 3.05Å; Y248-E250 VanDerWaalsContact C-N 3.34Å; Y248-E250 PolarHBondContact O-N 3.46Å; E250-H252 VanDerWaalsContact C-N 3.3Å; E250-H252 PolarHBondContact O-N 2.05Å; E250-L253 PolarHBondContact O-N 2.95Å; E250-Q254 PolarHBondContact O-N 3.11Å
251	E	96.8	Very high	95.3	Very high	44 Å²	44	63.4 Å²	63.4	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-38.6	175.7	-71.2	175.4	164.4	0	0	111.9	I247 Y248 Q254 Q255 M328 G334 V335	I247-E251 HydrophobicContact CG2-CG 4.21Å; I247-E251 WeakPolarHBondContact O-CB 3.35Å; I247-E251 WeakPolarHBondContact O-CG 3.02Å; I247-E251 PolarHBondContact O-N 2.67Å; Y248-E251 PolarHBondContact O-N 3.44Å; E251-Q254 PolarHBondContact O-N 3.14Å; E251-Q255 WeakPolarHBondContact O-CB 3.23Å; E251-Q255 VanDerWaalsContact O-CG 3.31Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 3.15Å; E251-M328 HydrophobicContact CB-CE 3.99Å; E251-G334 VanDerWaalsContact OE1-CA 3.28Å; E251-G334 WeakPolarHBondContact OE1-CA 3.46Å; E251-G334 VanDerWaalsContact OE2-CA 3.3Å; E251-G334 WeakPolarHBondContact OE2-CA 3.38Å; E251-V335 PolarHBondContact OE2-N 2.85Å
252	H	95.1	Very high	95.5	Very high	3 Å²	3	69.2 Å²	69.2	1%	0.014	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-43.4	-179.5	-166.9	-107.1	0	0	0	110.8	Y248 E250 Q255 F256 F284 R324 M328	Y248-H252 HydrophobicContact CE1-CB 4.47Å; Y248-H252 AromaticContact CZ-CD2 3.77Å; Y248-H252 WeakPolarHBondContact O-CB 3.44Å; Y248-H252 PolarHBondContact O-N 3.5Å; Y248-H252 PolarHBondContact OH-CD2 3.08Å; E250-H252 VanDerWaalsContact C-N 3.3Å; E250-H252 PolarHBondContact O-N 2.05Å; H252-Q255 PolarHBondContact O-N 3.05Å; H252-F256 PolarHBondContact O-N 3.49Å; H252-F256 VanDerWaalsContact O-N 3.11Å; H252-F284 AromaticContact CE1-CD2 3.97Å; H252-F284 AromaticContact CE1-CE2 3.1Å; H252-F284 WeakPolarHBondContact CE1-CE2 3.41Å; H252-F284 AromaticContact CE1-CZ 3.69Å; H252-F284 AromaticContact ND1-CE2 3.61Å; H252-R324 PolarHBondContact CE1-NE 3.33Å; H252-R324 PolarHBondContact CE1-NH1 3.1Å; H252-R324 VanDerWaalsContact CE1-NH1 3.34Å; H252-R324 PolarHBondContact CE1-NH2 3.43Å; H252-R324 PolarHBondContact ND1-NH1 3.36Å; H252-R324 PolarHBondContact ND1-NH2 3.29Å; H252-R324 PolarHBondContact NE2-NE 3.49Å; H252-R324 VanDerWaalsContact O-CD 3.26Å; H252-R324 WeakPolarHBondContact O-CD 3.25Å; H252-R324 PolarHBondContact O-NH1 3.39Å; H252-M328 HydrophobicContact CB-CE 4.25Å; H252-M328 HydrophobicContact CB-SD 4.24Å; H252-M328 PolarHBondContact CD2-SD 2.63Å
253	L	95.4	Very high	95.8	Very high	53 Å²	53	64.2 Å²	64.2	28%	0.277	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-41.7	173.6	-178.7	59	0	0	0	111.7	E249 E250 Q255 F256 N257 D282	E249-L253 PolarHBondContact O-N 2.97Å; E250-L253 PolarHBondContact O-N 2.95Å; L253-Q255 PolarHBondContact O-N 2.86Å; L253-F256 WeakPolarHBondContact O-CB 3.26Å; L253-F256 PolarHBondContact O-N 2.9Å; L253-N257 PolarHBondContact O-N 3.09Å; L253-N257 VanDerWaalsContact O-N 3.13Å; L253-N257 PolarHBondContact O-ND2 3.27Å; L253-N257 VanDerWaalsContact O-ND2 3.1Å; L253-D282 HydrophobicContact CD1-CB 4.34Å
254	Q	96.4	Very high	95.9	Very high	105 Å²	105	61.3 Å²	61.3	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-58	-49.7	175.3	-178.7	-177.7	-9.2	0	0	111.5	E250 E251 F256 N257 E258	E250-Q254 PolarHBondContact O-N 3.11Å; E251-Q254 PolarHBondContact O-N 3.14Å; Q254-F256 VanDerWaalsContact C-N 3.26Å; Q254-F256 PolarHBondContact O-N 2.86Å; Q254-N257 WeakPolarHBondContact O-CB 3.07Å; Q254-N257 PolarHBondContact O-N 3Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.47Å; Q254-E258 PolarHBondContact NE2-OE1 2.96Å; Q254-E258 PolarHBondContact O-N 3.26Å
255	Q	96.6	Very high	96	Very high	21 Å²	21	62.4 Å²	62.4	10%	0.098	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-32.1	179.6	-73.4	-61.2	-58.4	0	0	112.9	E251 H252 L253 E258 M259 R324 M328 I333	E251-Q255 WeakPolarHBondContact O-CB 3.23Å; E251-Q255 VanDerWaalsContact O-CG 3.31Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 3.15Å; H252-Q255 PolarHBondContact O-N 3.05Å; L253-Q255 PolarHBondContact O-N 2.86Å; Q255-E258 PolarHBondContact NE2-OE2 2.82Å; Q255-E258 PolarHBondContact O-N 3.43Å; Q255-M259 VanDerWaalsContact O-CB 3.31Å; Q255-M259 WeakPolarHBondContact O-CB 3.23Å; Q255-M259 VanDerWaalsContact O-CG 3.23Å; Q255-M259 WeakPolarHBondContact O-CG 3.23Å; Q255-M259 PolarHBondContact O-N 3.44Å; Q255-R324 HydrophobicContact CB-CG 4.13Å; Q255-M328 HydrophobicContact CB-CG 4.25Å; Q255-M328 HydrophobicContact CB-SD 3.81Å; Q255-M328 HydrophobicContact CG-CE 4.01Å; Q255-M328 HydrophobicContact CG-CG 3.97Å; Q255-M328 HydrophobicContact CG-SD 3.83Å; Q255-I333 HydrophobicContact CG-CG2 4.16Å
256	F	95.8	Very high	96.1	Very high	1 Å²	1	66 Å²	66	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-44.6	172.1	175.5	-94.4	0	0	0	112.1	H252 L253 Q254 E258 M259 K260 V264 P283 M317 L320	H252-F256 PolarHBondContact O-N 3.49Å; H252-F256 VanDerWaalsContact O-N 3.11Å; L253-F256 WeakPolarHBondContact O-CB 3.26Å; L253-F256 PolarHBondContact O-N 2.9Å; Q254-F256 VanDerWaalsContact C-N 3.26Å; Q254-F256 PolarHBondContact O-N 2.86Å; F256-E258 VanDerWaalsContact C-N 3.28Å; F256-E258 PolarHBondContact O-N 2.75Å; F256-M259 PolarHBondContact O-N 3.08Å; F256-K260 HydrophobicContact CD1-CD 4.41Å; F256-K260 HydrophobicContact CE1-CD 4.13Å; F256-K260 WeakPolarHBondContact O-CB 3.42Å; F256-K260 PolarHBondContact O-N 3.18Å; F256-V264 HydrophobicContact CE2-CG1 4.48Å; F256-V264 HydrophobicContact CZ-CG1 4.12Å; F256-P283 HydrophobicContact CD1-CG 4.34Å; F256-P283 HydrophobicContact CD2-CB 4.33Å; F256-P283 HydrophobicContact CD2-CG 3.64Å; F256-P283 HydrophobicContact CE1-CG 4.32Å; F256-P283 HydrophobicContact CE2-CB 3.76Å; F256-P283 HydrophobicContact CE2-CG 3.58Å; F256-P283 HydrophobicContact CG-CG 4.02Å; F256-P283 HydrophobicContact CZ-CB 3.96Å; F256-P283 HydrophobicContact CZ-CG 3.96Å; F256-M317 HydrophobicContact CE2-SD 4.23Å; F256-M317 HydrophobicContact CZ-SD 3.76Å; F256-L320 HydrophobicContact CD2-CD2 3.6Å; F256-L320 HydrophobicContact CD2-CG 3.85Å; F256-L320 HydrophobicContact CE2-CB 4.32Å; F256-L320 HydrophobicContact CE2-CD2 3.43Å; F256-L320 VanDerWaalsContact CE2-CD2 3.43Å; F256-L320 HydrophobicContact CE2-CG 3.92Å; F256-L320 HydrophobicContact CG-CD2 4.45Å; F256-L320 HydrophobicContact CZ-CD2 4.14Å
257	N	96.3	Very high	96.2	Very high	71 Å²	71	59.2 Å²	59.2	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-32.5	177.8	-72.3	-47.8	0	0	0	112.8	L253 Q254 K260	L253-N257 PolarHBondContact O-N 3.09Å; L253-N257 VanDerWaalsContact O-N 3.13Å; L253-N257 PolarHBondContact O-ND2 3.27Å; L253-N257 VanDerWaalsContact O-ND2 3.1Å; Q254-N257 WeakPolarHBondContact O-CB 3.07Å; Q254-N257 PolarHBondContact O-N 3Å; N257-K260 PolarHBondContact OD1-NZ 3.15Å
258	E	96.1	Very high	96.2	Very high	116 Å²	116	56.8 Å²	56.8	54%	0.542	29%	0.29	S	S	.	.	H	α-helix	trans	-74.3	-33.3	175	-70.7	174.3	-167.9	0	0	112.9	Q254 Q255 F256	Q254-E258 WeakPolarHBondContact CG-OE1 3.47Å; Q254-E258 PolarHBondContact NE2-OE1 2.96Å; Q254-E258 PolarHBondContact O-N 3.26Å; Q255-E258 PolarHBondContact NE2-OE2 2.82Å; Q255-E258 PolarHBondContact O-N 3.43Å; F256-E258 VanDerWaalsContact C-N 3.28Å; F256-E258 PolarHBondContact O-N 2.75Å
259	M	95.2	Very high	96.2	Very high	51 Å²	51	63.8 Å²	63.8	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-93.2	-15.8	-175.6	-68.9	179.9	59.2	0	0	114.5	Q255 F256 S261 L320 R324	Q255-M259 VanDerWaalsContact O-CB 3.31Å; Q255-M259 WeakPolarHBondContact O-CB 3.23Å; Q255-M259 VanDerWaalsContact O-CG 3.23Å; Q255-M259 WeakPolarHBondContact O-CG 3.23Å; Q255-M259 PolarHBondContact O-N 3.44Å; F256-M259 PolarHBondContact O-N 3.08Å; M259-S261 PolarHBondContact O-N 3.43Å; M259-L320 HydrophobicContact CB-CD1 3.85Å; M259-L320 HydrophobicContact CE-CD1 4.2Å; M259-R324 HydrophobicContact CE-CB 4.4Å; M259-R324 HydrophobicContact SD-CB 4.08Å; M259-R324 HydrophobicContact SD-CG 4.39Å
260	K	95.7	Very high	96.2	Very high	60 Å²	60	61 Å²	61	26%	0.261	31%	0.307	S	S	.	.			trans	-67.8	130.8	-175.8	69.2	-172.8	-178.7	-172	0	111.3	F256 N257 V264 A265 E268 L320	F256-K260 HydrophobicContact CD1-CD 4.41Å; F256-K260 HydrophobicContact CE1-CD 4.13Å; F256-K260 WeakPolarHBondContact O-CB 3.42Å; F256-K260 PolarHBondContact O-N 3.18Å; N257-K260 PolarHBondContact OD1-NZ 3.15Å; K260-V264 HydrophobicContact CB-CB 4.26Å; K260-V264 HydrophobicContact CB-CG1 4.16Å; K260-A265 HydrophobicContact CD-CB 4.34Å; K260-E268 IonicContact NZ-OE1 3.8Å; K260-E268 IonicContact NZ-OE2 2.97Å; K260-E268 PolarHBondContact NZ-OE2 3Å; K260-L320 HydrophobicContact CB-CD2 3.69Å
261	S	96.6	Very high	96.2	Very high	56 Å²	56	56 Å²	56	39%	0.392	28%	0.284	S	S	.	.			trans	-78.3	164.3	169.3	48.5	0	0	0	0	111	M259 D263 V264 A265	M259-S261 PolarHBondContact O-N 3.43Å; S261-D263 WeakPolarHBondContact CB-OD1 3.39Å; S261-D263 PolarHBondContact O-N 3.1Å; S261-D263 PolarHBondContact OG-OD1 3.31Å; S261-V264 PolarHBondContact O-N 3.05Å; S261-V264 WeakPolarHBondContact OG-CG2 3.42Å; S261-A265 PolarHBondContact O-N 2.56Å
262	D	97.8	Very high	96.2	Very high	139 Å²	139	56.5 Å²	56.5	74%	0.743	29%	0.288	S	S	*	.	H	α-helix	trans	-54.2	-41.3	179.3	-65.7	-21.1	0	0	0	112.1	V264 A265 D266	D262-V264 VanDerWaalsContact C-N 3.31Å; D262-V264 PolarHBondContact O-N 3.23Å; D262-A265 PolarHBondContact O-N 2.59Å; D262-D266 PolarHBondContact O-N 3Å
263	D	96.5	Very high	96.2	Very high	70 Å²	70	58.8 Å²	58.8	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-27.1	179.6	76.8	-63.8	0	0	0	113	S261 E267 K316	S261-D263 WeakPolarHBondContact CB-OD1 3.39Å; S261-D263 PolarHBondContact O-N 3.1Å; S261-D263 PolarHBondContact OG-OD1 3.31Å; D263-E267 VanDerWaalsContact O-CG 3.23Å; D263-E267 WeakPolarHBondContact O-CG 3.31Å; D263-E267 PolarHBondContact O-N 3.16Å; D263-K316 WeakPolarHBondContact OD2-CE 3.38Å; D263-K316 IonicContact OD2-NZ 3.1Å; D263-K316 PolarHBondContact OD2-NZ 3.23Å
264	V	96.4	Very high	96.1	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-78.7	-36.9	172.5	178	0	0	0	0	110.6	F256 K260 S261 D262 D266 E267 E268 K316 M317 L320	F256-V264 HydrophobicContact CE2-CG1 4.48Å; F256-V264 HydrophobicContact CZ-CG1 4.12Å; K260-V264 HydrophobicContact CB-CB 4.26Å; K260-V264 HydrophobicContact CB-CG1 4.16Å; S261-V264 PolarHBondContact O-N 3.05Å; S261-V264 WeakPolarHBondContact OG-CG2 3.42Å; D262-V264 VanDerWaalsContact C-N 3.31Å; D262-V264 PolarHBondContact O-N 3.23Å; V264-D266 VanDerWaalsContact C-N 3.33Å; V264-E267 PolarHBondContact O-N 3.05Å; V264-E268 PolarHBondContact O-N 2.83Å; V264-K316 HydrophobicContact CG2-CB 4.37Å; V264-M317 HydrophobicContact CG1-CE 3.96Å; V264-M317 HydrophobicContact CG1-SD 3.89Å; V264-M317 WeakPolarHBondContact O-CE 3.41Å; V264-L320 HydrophobicContact CB-CD2 4.44Å; V264-L320 HydrophobicContact CG1-CD2 3.81Å; V264-L320 HydrophobicContact CG2-CD2 4.47Å
265	A	97.3	Very high	95.9	Very high	30 Å²	30	56.3 Å²	56.3	25%	0.248	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-38.3	175.3	0	0	0	0	0	112	K260 S261 D262 E267 E268 K269	K260-A265 HydrophobicContact CD-CB 4.34Å; S261-A265 PolarHBondContact O-N 2.56Å; D262-A265 PolarHBondContact O-N 2.59Å; A265-E267 VanDerWaalsContact C-N 3.34Å; A265-E268 WeakPolarHBondContact O-CB 3.49Å; A265-E268 PolarHBondContact O-N 3.1Å; A265-K269 WeakPolarHBondContact O-CB 3.34Å; A265-K269 PolarHBondContact O-N 3.24Å
266	D	96.4	Very high	95.6	Very high	108 Å²	108	59.9 Å²	59.9	58%	0.578	32%	0.316	S	S	*	.	H	α-helix	trans	-62.8	-41	173.4	-77.5	-21.9	0	0	0	111.8	D262 V264 K269 K270	D262-D266 PolarHBondContact O-N 3Å; V264-D266 VanDerWaalsContact C-N 3.33Å; D266-K269 PolarHBondContact O-N 2.83Å; D266-K270 WeakPolarHBondContact O-CB 3.36Å; D266-K270 PolarHBondContact O-N 3.25Å
267	E	96.3	Very high	95.5	Very high	25 Å²	25	59.8 Å²	59.8	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-42.4	174.9	-67.8	-64.7	149.9	0	0	111.9	D263 V264 A265 K270 F271 S313 K316 M317	D263-E267 VanDerWaalsContact O-CG 3.23Å; D263-E267 WeakPolarHBondContact O-CG 3.31Å; D263-E267 PolarHBondContact O-N 3.16Å; V264-E267 PolarHBondContact O-N 3.05Å; A265-E267 VanDerWaalsContact C-N 3.34Å; E267-K270 WeakPolarHBondContact O-CB 3.45Å; E267-K270 PolarHBondContact O-N 2.98Å; E267-K270 IonicContact OE1-NZ 2.72Å; E267-K270 PolarHBondContact OE1-NZ 3.43Å; E267-K270 WeakPolarHBondContact OE2-CE 3.37Å; E267-K270 IonicContact OE2-NZ 3.98Å; E267-K270 PolarHBondContact OE2-NZ 2.9Å; E267-F271 WeakPolarHBondContact O-CD2 3.44Å; E267-F271 PolarHBondContact O-N 2.84Å; E267-S313 WeakPolarHBondContact OE2-CA 3.4Å; E267-S313 WeakPolarHBondContact OE2-CB 3.25Å; E267-S313 PolarHBondContact OE2-OG 3.31Å; E267-K316 HydrophobicContact CG-CD 3.84Å; E267-M317 HydrophobicContact CB-CE 3.64Å
268	E	96.5	Very high	95.3	Very high	21 Å²	21	58.8 Å²	58.8	10%	0.098	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-48.9	175.2	-172	-171.5	-171.1	0	0	110.9	K260 V264 A265 K270 F271 L272 M286 M317	K260-E268 IonicContact NZ-OE1 3.8Å; K260-E268 IonicContact NZ-OE2 2.97Å; K260-E268 PolarHBondContact NZ-OE2 3Å; V264-E268 PolarHBondContact O-N 2.83Å; A265-E268 WeakPolarHBondContact O-CB 3.49Å; A265-E268 PolarHBondContact O-N 3.1Å; E268-K270 VanDerWaalsContact C-N 3.3Å; E268-K270 PolarHBondContact O-N 2.69Å; E268-F271 WeakPolarHBondContact O-CB 3.36Å; E268-F271 PolarHBondContact O-N 3.46Å; E268-L272 HydrophobicContact CG-CD1 4.33Å; E268-L272 WeakPolarHBondContact O-CG 3.46Å; E268-L272 PolarHBondContact O-N 3.22Å; E268-M286 HydrophobicContact CB-CE 4.41Å; E268-M286 HydrophobicContact CG-CE 3.57Å; E268-M317 HydrophobicContact CB-CE 3.88Å; E268-M317 VanDerWaalsContact N-CE 3.26Å
269	K	95.9	Very high	95	Very high	157 Å²	157	56.9 Å²	56.9	68%	0.683	32%	0.322	S	S	*	.	H	α-helix	trans	-60.1	-41.5	176	-177.4	-178.6	176.6	-174.7	0	111.5	A265 D266 L272 S273	A265-K269 WeakPolarHBondContact O-CB 3.34Å; A265-K269 PolarHBondContact O-N 3.24Å; D266-K269 PolarHBondContact O-N 2.83Å; K269-L272 PolarHBondContact O-N 3.34Å; K269-S273 PolarHBondContact O-N 2.97Å; K269-S273 VanDerWaalsContact O-N 3.13Å
270	K	95.8	Very high	94.9	Very high	37 Å²	37	54.7 Å²	54.7	16%	0.161	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-46.4	175.8	-178.6	172.8	60.6	-174.6	0	111.1	D266 E267 E268 L272 S273 F274 C308 S313	D266-K270 WeakPolarHBondContact O-CB 3.36Å; D266-K270 PolarHBondContact O-N 3.25Å; E267-K270 WeakPolarHBondContact O-CB 3.45Å; E267-K270 PolarHBondContact O-N 2.98Å; E267-K270 IonicContact OE1-NZ 2.72Å; E267-K270 PolarHBondContact OE1-NZ 3.43Å; E267-K270 WeakPolarHBondContact OE2-CE 3.37Å; E267-K270 IonicContact OE2-NZ 3.98Å; E267-K270 PolarHBondContact OE2-NZ 2.9Å; E268-K270 VanDerWaalsContact C-N 3.3Å; E268-K270 PolarHBondContact O-N 2.69Å; K270-L272 PolarHBondContact O-N 2.89Å; K270-S273 WeakPolarHBondContact O-CB 3.03Å; K270-S273 PolarHBondContact O-N 2.97Å; K270-S273 PolarHBondContact O-OG 3.3Å; K270-F274 HydrophobicContact CG-CE2 4.11Å; K270-F274 WeakPolarHBondContact O-CD2 3.2Å; K270-C308 WeakPolarHBondContact CD-O 3.35Å; K270-C308 WeakPolarHBondContact CE-O 3.37Å; K270-C308 PolarHBondContact NZ-O 3.36Å; K270-S313 PolarHBondContact NZ-OG 3.14Å
271	F	96.1	Very high	94.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-54.3	-55.4	174	-81.6	-69.7	0	0	0	110.9	E267 E268 S273 F274 F277 M286 V309 F314 M317	E267-F271 WeakPolarHBondContact O-CD2 3.44Å; E267-F271 PolarHBondContact O-N 2.84Å; E268-F271 WeakPolarHBondContact O-CB 3.36Å; E268-F271 PolarHBondContact O-N 3.46Å; F271-S273 PolarHBondContact O-N 2.88Å; F271-F274 PolarHBondContact O-N 2.82Å; F271-F277 HydrophobicContact CB-CB 4.32Å; F271-F277 AromaticContact CD1-CD1 3.96Å; F271-F277 HydrophobicContact CD1-CD1 3.96Å; F271-F277 HydrophobicContact CD1-CD2 4.06Å; F271-F277 HydrophobicContact CD1-CE1 4.01Å; F271-F277 HydrophobicContact CD1-CE2 4.11Å; F271-F277 AromaticContact CD1-CG 3.99Å; F271-F277 HydrophobicContact CD1-CG 3.99Å; F271-F277 HydrophobicContact CD1-CZ 4.11Å; F271-F277 HydrophobicContact CE1-CE1 4.2Å; F271-F277 HydrophobicContact CE1-CE2 4.47Å; F271-F277 HydrophobicContact CE1-CZ 4.17Å; F271-F277 VanDerWaalsContact O-CB 3.28Å; F271-F277 WeakPolarHBondContact O-CB 3.42Å; F271-M286 HydrophobicContact CB-CE 3.88Å; F271-M286 HydrophobicContact CB-CG 4.42Å; F271-M286 HydrophobicContact CB-SD 3.75Å; F271-M286 HydrophobicContact CD2-SD 3.61Å; F271-M286 HydrophobicContact CE2-SD 4.38Å; F271-M286 HydrophobicContact CG-CG 4.41Å; F271-M286 HydrophobicContact CG-SD 3.76Å; F271-V309 HydrophobicContact CD1-CG1 4.05Å; F271-V309 HydrophobicContact CD1-CG2 4.04Å; F271-V309 HydrophobicContact CE1-CB 4.41Å; F271-V309 HydrophobicContact CE1-CG1 3.32Å; F271-V309 HydrophobicContact CE1-CG2 4.16Å; F271-V309 HydrophobicContact CZ-CG1 3.79Å; F271-F314 AromaticContact CE1-CD1 3.95Å; F271-F314 HydrophobicContact CE1-CD1 3.95Å; F271-F314 HydrophobicContact CE1-CD2 4.47Å; F271-F314 AromaticContact CE1-CE1 3.42Å; F271-F314 HydrophobicContact CE1-CE1 3.42Å; F271-F314 VanDerWaalsContact CE1-CE1 3.42Å; F271-F314 HydrophobicContact CE1-CE2 4.01Å; F271-F314 HydrophobicContact CE1-CG 4.45Å; F271-F314 AromaticContact CE1-CZ 3.47Å; F271-F314 HydrophobicContact CE1-CZ 3.47Å; F271-F314 VanDerWaalsContact CE1-CZ 3.47Å; F271-F314 AromaticContact CZ-CD1 3.65Å; F271-F314 HydrophobicContact CZ-CD1 3.65Å; F271-F314 HydrophobicContact CZ-CD2 4.19Å; F271-F314 AromaticContact CZ-CE1 3.65Å; F271-F314 HydrophobicContact CZ-CE1 3.65Å; F271-F314 HydrophobicContact CZ-CE2 4.18Å; F271-F314 AromaticContact CZ-CG 3.93Å; F271-F314 HydrophobicContact CZ-CG 3.93Å; F271-F314 AromaticContact CZ-CZ 3.94Å; F271-F314 HydrophobicContact CZ-CZ 3.94Å; F271-M317 HydrophobicContact CD2-CE 3.91Å; F271-M317 HydrophobicContact CE2-CE 3.95Å; F271-M317 HydrophobicContact CE2-CG 3.87Å
272	L	95.8	Very high	94.4	Very high	54 Å²	54	56.2 Å²	56.2	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-19.9	-176.2	-65.4	173.7	0	0	0	113.9	E268 K269 K270 F274 F281 M286	E268-L272 HydrophobicContact CG-CD1 4.33Å; E268-L272 WeakPolarHBondContact O-CG 3.46Å; E268-L272 PolarHBondContact O-N 3.22Å; K269-L272 PolarHBondContact O-N 3.34Å; K270-L272 PolarHBondContact O-N 2.89Å; L272-F274 VanDerWaalsContact C-N 3.26Å; L272-F274 PolarHBondContact O-N 3.07Å; L272-F281 HydrophobicContact CD2-CD1 4.29Å; L272-F281 HydrophobicContact CD2-CE1 4.47Å; L272-M286 HydrophobicContact CD2-CE 3.99Å; L272-M286 HydrophobicContact CG-CE 3.94Å
273	S	94.8	Very high	94.2	Very high	52 Å²	52	49.6 Å²	49.6	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.8	175	81.7	0	0	0	0	114.3	K269 K270 F271	K269-S273 PolarHBondContact O-N 2.97Å; K269-S273 VanDerWaalsContact O-N 3.13Å; K270-S273 WeakPolarHBondContact O-CB 3.03Å; K270-S273 PolarHBondContact O-N 2.97Å; K270-S273 PolarHBondContact O-OG 3.3Å; F271-S273 PolarHBondContact O-N 2.88Å
274	F	94	Very high	94.1	Very high	9 Å²	9	48.9 Å²	48.9	4%	0.039	27%	0.27	C	S	.	.	S	Bend	trans	-94.2	132.1	179.3	-70.6	-79.3	0	0	0	111.2	K270 F271 L272 Q276 F277 A278 P302 R304 V309	K270-F274 HydrophobicContact CG-CE2 4.11Å; K270-F274 WeakPolarHBondContact O-CD2 3.2Å; F271-F274 PolarHBondContact O-N 2.82Å; L272-F274 VanDerWaalsContact C-N 3.26Å; L272-F274 PolarHBondContact O-N 3.07Å; F274-Q276 PolarHBondContact O-N 2.73Å; F274-F277 HydrophobicContact CB-CD2 4.05Å; F274-F277 PolarHBondContact O-N 2.84Å; F274-A278 PolarHBondContact O-N 3.03Å; F274-P302 HydrophobicContact CB-CB 4.37Å; F274-P302 HydrophobicContact CD1-CB 3.42Å; F274-P302 VanDerWaalsContact CD1-CB 3.42Å; F274-P302 HydrophobicContact CD2-CB 4.41Å; F274-P302 HydrophobicContact CE1-CB 3.72Å; F274-P302 HydrophobicContact CG-CB 3.81Å; F274-P302 HydrophobicContact CZ-CB 4.35Å; F274-R304 HydrophobicContact CE1-CB 4.22Å; F274-V309 HydrophobicContact CD2-CG2 3.68Å; F274-V309 HydrophobicContact CE2-CG2 3.6Å; F274-V309 HydrophobicContact CZ-CG2 4.48Å
275	P	92.1	Very high	94.1	Very high	97 Å²	97	52.6 Å²	52.6	63%	0.63	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.5	-178	-28.5	35	0	0	0	114.4	F277 A278	P275-F277 PolarHBondContact O-N 2.86Å; P275-A278 PolarHBondContact O-N 3.37Å
276	Q	91.2	Very high	94	Very high	95 Å²	95	51.2 Å²	51.2	44%	0.444	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.1	-179	-57	91.2	-18.2	0	0	112.9	F274 F294	F274-Q276 PolarHBondContact O-N 2.73Å; Q276-F294 HydrophobicContact CB-CE2 4.21Å; Q276-F294 HydrophobicContact CB-CZ 4.2Å; Q276-F294 HydrophobicContact CG-CE2 4.45Å; Q276-F294 HydrophobicContact CG-CZ 3.94Å
277	F	94	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.6	-178.6	-63.3	-79.8	0	0	0	112.9	F271 F274 P275 A279 S280 M286 V289 F294 P302 F314	F271-F277 HydrophobicContact CB-CB 4.32Å; F271-F277 AromaticContact CD1-CD1 3.96Å; F271-F277 HydrophobicContact CD1-CD1 3.96Å; F271-F277 HydrophobicContact CD1-CD2 4.06Å; F271-F277 HydrophobicContact CD1-CE1 4.01Å; F271-F277 HydrophobicContact CD1-CE2 4.11Å; F271-F277 AromaticContact CD1-CG 3.99Å; F271-F277 HydrophobicContact CD1-CG 3.99Å; F271-F277 HydrophobicContact CD1-CZ 4.11Å; F271-F277 HydrophobicContact CE1-CE1 4.2Å; F271-F277 HydrophobicContact CE1-CE2 4.47Å; F271-F277 HydrophobicContact CE1-CZ 4.17Å; F271-F277 VanDerWaalsContact O-CB 3.28Å; F271-F277 WeakPolarHBondContact O-CB 3.42Å; F274-F277 HydrophobicContact CB-CD2 4.05Å; F274-F277 PolarHBondContact O-N 2.84Å; P275-F277 PolarHBondContact O-N 2.86Å; F277-A279 PolarHBondContact O-N 2.79Å; F277-S280 VanDerWaalsContact O-CB 3.27Å; F277-S280 WeakPolarHBondContact O-CB 3.38Å; F277-S280 PolarHBondContact O-N 3.22Å; F277-S280 PolarHBondContact O-OG 2.97Å; F277-M286 HydrophobicContact CD1-CB 4.48Å; F277-M286 WeakPolarHBondContact CE1-O 3.26Å; F277-V289 HydrophobicContact CD1-CB 3.82Å; F277-V289 HydrophobicContact CD1-CG1 3.66Å; F277-V289 HydrophobicContact CE1-CB 3.6Å; F277-V289 HydrophobicContact CE1-CG1 3.39Å; F277-V289 HydrophobicContact CG-CG1 4.36Å; F277-V289 HydrophobicContact CZ-CB 4.5Å; F277-V289 HydrophobicContact CZ-CG1 3.9Å; F277-F294 HydrophobicContact CE2-CE2 4.21Å; F277-F294 HydrophobicContact CZ-CD2 4.26Å; F277-F294 HydrophobicContact CZ-CE2 4.14Å; F277-P302 HydrophobicContact CE2-CG 3.99Å; F277-F314 HydrophobicContact CE1-CE1 4.28Å; F277-F314 HydrophobicContact CE1-CZ 4.29Å; F277-F314 HydrophobicContact CZ-CE1 4.36Å; F277-F314 AromaticContact CZ-CZ 3.92Å; F277-F314 HydrophobicContact CZ-CZ 3.92Å
278	A	91.5	Very high	93.9	Very high	50 Å²	50	46 Å²	46	41%	0.413	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.4	-172	0	0	0	0	0	114.9	F274 P275	F274-A278 PolarHBondContact O-N 3.03Å; P275-A278 PolarHBondContact O-N 3.37Å
279	A	90.3	Very high	93.8	Very high	76 Å²	76	45.2 Å²	45.2	63%	0.628	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	9.6	176.1	0	0	0	0	0	114	F277 F281 Q285	F277-A279 PolarHBondContact O-N 2.79Å; A279-F281 PolarHBondContact O-N 3.42Å; A279-Q285 PolarHBondContact O-OE1 3.5Å
280	S	93	Very high	93.8	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	21%	0.212	C	C	.	.			trans	-98	72.8	-175.6	-58	0	0	0	0	110.9	F277 M286	F277-S280 VanDerWaalsContact O-CB 3.27Å; F277-S280 WeakPolarHBondContact O-CB 3.38Å; F277-S280 PolarHBondContact O-N 3.22Å; F277-S280 PolarHBondContact O-OG 2.97Å; S280-M286 WeakPolarHBondContact O-CE 3.22Å; S280-M286 WeakPolarHBondContact O-CG 3.4Å
281	F	89.8	Confident	93.8	Very high	126 Å²	126	36 Å²	36	55%	0.553	21%	0.205	S	C	*	.			trans	-79	-21.6	-176.9	-58.9	-75.6	0	0	0	113.5	L272 A279	L272-F281 HydrophobicContact CD2-CD1 4.29Å; L272-F281 HydrophobicContact CD2-CE1 4.47Å; A279-F281 PolarHBondContact O-N 3.42Å
282	D	91.8	Very high	93.6	Very high	22 Å²	22	36.1 Å²	36.1	12%	0.118	21%	0.206	C	C	.	.	S	Bend	trans	-96.7	138	170.9	-172.4	-72.4	0	0	0	110	L253 F284 Q285 M286	L253-D282 HydrophobicContact CD1-CB 4.34Å; D282-F284 PolarHBondContact O-N 3.47Å; D282-F284 VanDerWaalsContact O-N 3.14Å; D282-F284 VanDerWaalsContact OD1-CB 3.26Å; D282-F284 WeakPolarHBondContact OD1-CB 3.4Å; D282-F284 WeakPolarHBondContact OD1-CD2 3.37Å; D282-F284 PolarHBondContact OD1-N 2.89Å; D282-Q285 HydrophobicContact CB-CG 4.18Å; D282-Q285 WeakPolarHBondContact O-CA 3.33Å; D282-Q285 VanDerWaalsContact O-CB 3.29Å; D282-Q285 WeakPolarHBondContact O-CB 3.34Å; D282-Q285 PolarHBondContact O-N 2.81Å; D282-M286 PolarHBondContact O-N 2.85Å
283	P	93.2	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-54.7	-30.8	176.8	24.8	-39.4	0	0	0	113.8	F256 Q285 M286 I287 M317 R324	F256-P283 HydrophobicContact CD1-CG 4.34Å; F256-P283 HydrophobicContact CD2-CB 4.33Å; F256-P283 HydrophobicContact CD2-CG 3.64Å; F256-P283 HydrophobicContact CE1-CG 4.32Å; F256-P283 HydrophobicContact CE2-CB 3.76Å; F256-P283 HydrophobicContact CE2-CG 3.58Å; F256-P283 HydrophobicContact CG-CG 4.02Å; F256-P283 HydrophobicContact CZ-CB 3.96Å; F256-P283 HydrophobicContact CZ-CG 3.96Å; P283-Q285 VanDerWaalsContact C-N 3.28Å; P283-Q285 PolarHBondContact O-N 2.92Å; P283-M286 WeakPolarHBondContact O-CB 3.42Å; P283-M286 PolarHBondContact O-N 2.8Å; P283-I287 WeakPolarHBondContact O-CD1 3.35Å; P283-I287 VanDerWaalsContact O-CG1 3.23Å; P283-I287 WeakPolarHBondContact O-CG1 3.28Å; P283-I287 PolarHBondContact O-N 3.07Å; P283-M317 HydrophobicContact CB-CB 4.4Å; P283-M317 HydrophobicContact CB-SD 4.37Å; P283-R324 VanDerWaalsContact CG-NH2 3.34Å
284	F	94.4	Very high	93.2	Very high	54 Å²	54	33.7 Å²	33.7	24%	0.237	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-34.2	172.9	-74.4	-59.1	0	0	0	112.4	H252 D282 D288 T321 P391	H252-F284 AromaticContact CE1-CD2 3.97Å; H252-F284 AromaticContact CE1-CE2 3.1Å; H252-F284 WeakPolarHBondContact CE1-CE2 3.41Å; H252-F284 AromaticContact CE1-CZ 3.69Å; H252-F284 AromaticContact ND1-CE2 3.61Å; D282-F284 PolarHBondContact O-N 3.47Å; D282-F284 VanDerWaalsContact O-N 3.14Å; D282-F284 VanDerWaalsContact OD1-CB 3.26Å; D282-F284 WeakPolarHBondContact OD1-CB 3.4Å; D282-F284 WeakPolarHBondContact OD1-CD2 3.37Å; D282-F284 PolarHBondContact OD1-N 2.89Å; F284-D288 WeakPolarHBondContact O-CB 3.23Å; F284-D288 PolarHBondContact O-N 2.88Å; F284-T321 HydrophobicContact CD1-CG2 4.07Å; F284-T321 HydrophobicContact CE1-CG2 3.44Å; F284-T321 VanDerWaalsContact CE1-CG2 3.44Å; F284-T321 HydrophobicContact CE2-CG2 4.11Å; F284-T321 HydrophobicContact CZ-CG2 3.46Å; F284-T321 VanDerWaalsContact CZ-CG2 3.46Å; F284-P391 HydrophobicContact CD1-CB 4.29Å; F284-P391 HydrophobicContact CD1-CG 3.88Å; F284-P391 HydrophobicContact CE1-CB 3.88Å; F284-P391 HydrophobicContact CE1-CG 3.85Å
285	Q	95.3	Very high	93.2	Very high	87 Å²	87	33.8 Å²	33.8	41%	0.407	19%	0.192	S	C	.	.	H	α-helix	trans	-69.4	-39.7	175.3	-62.2	169.8	-17.3	0	0	110.5	A279 D282 P283 D288 V289	A279-Q285 PolarHBondContact O-OE1 3.5Å; D282-Q285 HydrophobicContact CB-CG 4.18Å; D282-Q285 WeakPolarHBondContact O-CA 3.33Å; D282-Q285 VanDerWaalsContact O-CB 3.29Å; D282-Q285 WeakPolarHBondContact O-CB 3.34Å; D282-Q285 PolarHBondContact O-N 2.81Å; P283-Q285 VanDerWaalsContact C-N 3.28Å; P283-Q285 PolarHBondContact O-N 2.92Å; Q285-D288 PolarHBondContact O-N 2.8Å; Q285-V289 WeakPolarHBondContact O-CG2 3.48Å; Q285-V289 PolarHBondContact O-N 3.43Å
286	M	95.7	Very high	93.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-46.9	174.2	-60.4	-178.6	175.8	0	0	110.9	E268 F271 L272 F277 S280 D282 P283 D288 V289 G290 M317	E268-M286 HydrophobicContact CB-CE 4.41Å; E268-M286 HydrophobicContact CG-CE 3.57Å; F271-M286 HydrophobicContact CB-CE 3.88Å; F271-M286 HydrophobicContact CB-CG 4.42Å; F271-M286 HydrophobicContact CB-SD 3.75Å; F271-M286 HydrophobicContact CD2-SD 3.61Å; F271-M286 HydrophobicContact CE2-SD 4.38Å; F271-M286 HydrophobicContact CG-CG 4.41Å; F271-M286 HydrophobicContact CG-SD 3.76Å; L272-M286 HydrophobicContact CD2-CE 3.99Å; L272-M286 HydrophobicContact CG-CE 3.94Å; F277-M286 HydrophobicContact CD1-CB 4.48Å; F277-M286 WeakPolarHBondContact CE1-O 3.26Å; S280-M286 WeakPolarHBondContact O-CE 3.22Å; S280-M286 WeakPolarHBondContact O-CG 3.4Å; D282-M286 PolarHBondContact O-N 2.85Å; P283-M286 WeakPolarHBondContact O-CB 3.42Å; P283-M286 PolarHBondContact O-N 2.8Å; M286-D288 VanDerWaalsContact C-N 3.35Å; M286-D288 PolarHBondContact O-N 2.76Å; M286-V289 PolarHBondContact O-N 3.29Å; M286-G290 PolarHBondContact O-N 3.14Å; M286-M317 HydrophobicContact SD-CE 4.43Å
287	I	95.6	Very high	93.2	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-43.6	175.9	-66.2	160.4	0	0	0	110.5	M52 P283 G290 L291 M317 I318	M52-I287 HydrophobicContact SD-CG2 4.25Å; P283-I287 WeakPolarHBondContact O-CD1 3.35Å; P283-I287 VanDerWaalsContact O-CG1 3.23Å; P283-I287 WeakPolarHBondContact O-CG1 3.28Å; P283-I287 PolarHBondContact O-N 3.07Å; I287-G290 PolarHBondContact O-N 3.03Å; I287-L291 HydrophobicContact CG2-CD1 3.71Å; I287-L291 HydrophobicContact CG2-CG 4.11Å; I287-L291 WeakPolarHBondContact O-CB 3.15Å; I287-L291 VanDerWaalsContact O-CG 3.25Å; I287-L291 WeakPolarHBondContact O-CG 3.5Å; I287-L291 PolarHBondContact O-N 3.34Å; I287-M317 HydrophobicContact CD1-CB 4.45Å; I287-M317 HydrophobicContact CG1-CB 4.49Å; I287-I318 HydrophobicContact CD1-CG1 3.61Å; I287-I318 HydrophobicContact CG1-CG1 4Å
288	D	95.9	Very high	93	Very high	20 Å²	20	31 Å²	31	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-49.4	178.8	-175.5	63.5	0	0	0	112.4	R92 P94 V95 F284 Q285 M286 G292	R92-D288 IonicContact CZ-OD1 3.79Å; R92-D288 IonicContact NH1-OD1 2.64Å; R92-D288 PolarHBondContact NH1-OD1 3.26Å; R92-D288 IonicContact NH1-OD2 4Å; R92-D288 IonicContact NH2-OD1 2.78Å; R92-D288 PolarHBondContact NH2-OD1 3.13Å; P94-D288 WeakPolarHBondContact CA-OD2 3.2Å; P94-D288 WeakPolarHBondContact CB-OD2 3.37Å; V95-D288 PolarHBondContact N-OD2 2.87Å; F284-D288 WeakPolarHBondContact O-CB 3.23Å; F284-D288 PolarHBondContact O-N 2.88Å; Q285-D288 PolarHBondContact O-N 2.8Å; M286-D288 VanDerWaalsContact C-N 3.35Å; M286-D288 PolarHBondContact O-N 2.76Å; D288-G292 PolarHBondContact O-N 3.5Å
289	V	94.7	Very high	92.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-46.4	175.5	173.5	0	0	0	0	110.8	P94 S96 F277 Q285 M286 L291 S293 F294	P94-V289 HydrophobicContact CB-CG2 4.4Å; S96-V289 VanDerWaalsContact OG-CG2 3.29Å; S96-V289 WeakPolarHBondContact OG-CG2 3.44Å; F277-V289 HydrophobicContact CD1-CB 3.82Å; F277-V289 HydrophobicContact CD1-CG1 3.66Å; F277-V289 HydrophobicContact CE1-CB 3.6Å; F277-V289 HydrophobicContact CE1-CG1 3.39Å; F277-V289 HydrophobicContact CG-CG1 4.36Å; F277-V289 HydrophobicContact CZ-CB 4.5Å; F277-V289 HydrophobicContact CZ-CG1 3.9Å; Q285-V289 WeakPolarHBondContact O-CG2 3.48Å; Q285-V289 PolarHBondContact O-N 3.43Å; M286-V289 PolarHBondContact O-N 3.29Å; V289-L291 PolarHBondContact O-N 2.9Å; V289-S293 WeakPolarHBondContact O-CB 3.27Å; V289-S293 PolarHBondContact O-N 3.43Å; V289-S293 PolarHBondContact O-OG 3.35Å; V289-F294 HydrophobicContact CG1-CE2 4.39Å
290	G	95	Very high	92.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-57	-50.8	179.7	0	0	0	0	0	112.3	M286 I287 F294 I295	M286-G290 PolarHBondContact O-N 3.14Å; I287-G290 PolarHBondContact O-N 3.03Å; G290-F294 PolarHBondContact O-N 3.24Å; G290-F294 VanDerWaalsContact O-N 3.12Å; G290-I295 WeakPolarHBondContact O-CG1 3.42Å; G290-I295 PolarHBondContact O-N 3.34Å
291	L	94.8	Very high	93	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.18	C	C	.	.	I	π-helix	trans	-65.9	-53	179.5	-67.3	178.6	0	0	0	111.9	I49 M52 I287 V289 I295 C296 Y394	I49-L291 HydrophobicContact CD1-CD2 3.88Å; I49-L291 HydrophobicContact CD1-CG 4.39Å; I49-L291 HydrophobicContact CG1-CD2 3.72Å; M52-L291 HydrophobicContact CB-CD1 3.99Å; M52-L291 HydrophobicContact CB-CD2 3.8Å; M52-L291 HydrophobicContact CE-CD1 4.11Å; M52-L291 HydrophobicContact SD-CD1 3.99Å; M52-L291 HydrophobicContact SD-CD2 4.48Å; I287-L291 HydrophobicContact CG2-CD1 3.71Å; I287-L291 HydrophobicContact CG2-CG 4.11Å; I287-L291 WeakPolarHBondContact O-CB 3.15Å; I287-L291 VanDerWaalsContact O-CG 3.25Å; I287-L291 WeakPolarHBondContact O-CG 3.5Å; I287-L291 PolarHBondContact O-N 3.34Å; V289-L291 PolarHBondContact O-N 2.9Å; L291-I295 HydrophobicContact CD2-CB 4.38Å; L291-I295 HydrophobicContact CD2-CD1 4.27Å; L291-I295 HydrophobicContact CD2-CG2 4.47Å; L291-C296 VanDerWaalsContact O-CB 3.25Å; L291-C296 WeakPolarHBondContact O-CB 3.15Å; L291-C296 PolarHBondContact O-N 3Å; L291-C296 VanDerWaalsContact O-N 3.08Å; L291-C296 PolarHBondContact O-SG 2.78Å; L291-Y394 HydrophobicContact CB-CE2 4.29Å; L291-Y394 HydrophobicContact CD1-CE2 4.37Å
292	G	92.4	Very high	93.2	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	16%	0.158	C	C	.	.	I	π-helix	trans	-76.4	-25.6	-169.8	0	0	0	0	0	114.9	R92 D288 R297	R92-G292 WeakPolarHBondContact O-CA 3.45Å; D288-G292 PolarHBondContact O-N 3.5Å; G292-R297 WeakPolarHBondContact O-CG 3.34Å; G292-R297 PolarHBondContact O-NE 2.99Å
293	S	90.8	Very high	93.3	Very high	32 Å²	32	33.7 Å²	33.7	22%	0.224	17%	0.172	C	C	.	.	I	π-helix	trans	-102.5	-28.7	-178.4	-60.1	0	0	0	0	113.7	P94 V289	P94-S293 WeakPolarHBondContact CG-OG 3.5Å; V289-S293 WeakPolarHBondContact O-CB 3.27Å; V289-S293 PolarHBondContact O-N 3.43Å; V289-S293 PolarHBondContact O-OG 3.35Å
294	F	92.1	Very high	93.3	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.101	20%	0.198	C	C	.	.	I	π-helix	trans	-127.7	-67.1	-170.2	-57.4	-80.9	0	0	0	114.1	Q276 F277 V289 G290 R297 R298 K299 T300 L301 P302	Q276-F294 HydrophobicContact CB-CE2 4.21Å; Q276-F294 HydrophobicContact CB-CZ 4.2Å; Q276-F294 HydrophobicContact CG-CE2 4.45Å; Q276-F294 HydrophobicContact CG-CZ 3.94Å; F277-F294 HydrophobicContact CE2-CE2 4.21Å; F277-F294 HydrophobicContact CZ-CD2 4.26Å; F277-F294 HydrophobicContact CZ-CE2 4.14Å; V289-F294 HydrophobicContact CG1-CE2 4.39Å; G290-F294 PolarHBondContact O-N 3.24Å; G290-F294 VanDerWaalsContact O-N 3.12Å; F294-R297 CarbonylContact O-C 3.59Å; F294-R297 WeakPolarHBondContact O-CA 3.44Å; F294-R297 PolarHBondContact O-N 3.21Å; F294-R297 VanDerWaalsContact O-N 3.11Å; F294-R298 PolarHBondContact O-N 3.27Å; F294-K299 HydrophobicContact CD1-CB 4.22Å; F294-K299 PolarHBondContact O-N 2.77Å; F294-T300 WeakPolarHBondContact CD1-O 3.34Å; F294-L301 HydrophobicContact CB-CD2 3.75Å; F294-L301 HydrophobicContact CG-CD2 4.33Å; F294-P302 HydrophobicContact CE1-CG 3.84Å; F294-P302 HydrophobicContact CE2-CG 3.97Å; F294-P302 HydrophobicContact CZ-CG 3.51Å
295	I	94.4	Very high	92.8	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.056	23%	0.23	C	C	.	.	I	π-helix	trans	-64.8	-53.9	-165.6	-58.7	169.1	0	0	0	110.4	I49 R50 G290 L291 R297 R298 L301 L311 F314	I49-I295 HydrophobicContact CD1-CD1 3.45Å; I49-I295 VanDerWaalsContact CD1-CD1 3.45Å; I49-I295 HydrophobicContact CG1-CD1 3.87Å; I49-I295 HydrophobicContact CG2-CD1 3.97Å; R50-I295 HydrophobicContact CG-CG2 3.88Å; G290-I295 WeakPolarHBondContact O-CG1 3.42Å; G290-I295 PolarHBondContact O-N 3.34Å; L291-I295 HydrophobicContact CD2-CB 4.38Å; L291-I295 HydrophobicContact CD2-CD1 4.27Å; L291-I295 HydrophobicContact CD2-CG2 4.47Å; I295-R297 PolarHBondContact O-N 3.14Å; I295-R298 PolarHBondContact O-N 2.92Å; I295-R298 VanDerWaalsContact O-N 3.14Å; I295-L301 HydrophobicContact CG1-CD2 4Å; I295-L311 HydrophobicContact CD1-CD2 4.28Å; I295-L311 HydrophobicContact CG1-CD2 4.23Å; I295-L311 HydrophobicContact CG2-CD2 4.41Å; I295-F314 HydrophobicContact CD1-CD1 4.43Å; I295-F314 HydrophobicContact CD1-CD2 3.74Å; I295-F314 HydrophobicContact CD1-CE1 4.43Å; I295-F314 HydrophobicContact CD1-CE2 3.75Å; I295-F314 HydrophobicContact CD1-CG 4.1Å; I295-F314 HydrophobicContact CD1-CZ 4.09Å; I295-F314 HydrophobicContact CG1-CE2 4.42Å
296	C	93.4	Very high	92.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.5	179.9	-51.3	0	0	0	0	112.4	C53 E91 L291 R298	C53-C296 WeakPolarHBondContact CA-SG 3.42Å; C53-C296 HydrophobicContact CB-CB 3.72Å; C53-C296 WeakPolarHBondContact CB-SG 3.16Å; C53-C296 WeakPolarHBondContact SG-CA 3.38Å; C53-C296 WeakPolarHBondContact SG-CB 3.43Å; C53-C296 PolarHBondContact SG-N 3.43Å; C53-C296 VanDerWaalsContact SG-N 3.39Å; C53-C296 CovalentContact SG-SG 2.05Å; C53-C296 PolarHBondContact SG-SG 2.87Å; E91-C296 HydrophobicContact CG-CB 3.73Å; L291-C296 VanDerWaalsContact O-CB 3.25Å; L291-C296 WeakPolarHBondContact O-CB 3.15Å; L291-C296 PolarHBondContact O-N 3Å; L291-C296 VanDerWaalsContact O-N 3.08Å; L291-C296 PolarHBondContact O-SG 2.78Å; C296-R298 PolarHBondContact O-NH1 2.71Å
297	R	88.3	Confident	91.9	Very high	35 Å²	35	57.9 Å²	57.9	13%	0.132	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.4	174.2	-55.9	-53	-168.1	-177.6	0.4	113.8	E91 C104 T155 G292 F294 I295 K299	E91-R297 IonicContact OE1-CZ 2.74Å; E91-R297 IonicContact OE1-NE 2.7Å; E91-R297 PolarHBondContact OE1-NE 3.08Å; E91-R297 IonicContact OE1-NH1 2.92Å; E91-R297 PolarHBondContact OE1-NH1 3.16Å; E91-R297 IonicContact OE1-NH2 3.64Å; E91-R297 PolarHBondContact OE1-NH2 2.69Å; E91-R297 VanDerWaalsContact OE1-NH2 3.1Å; E91-R297 IonicContact OE2-CZ 3.62Å; E91-R297 IonicContact OE2-NH1 3.79Å; E91-R297 PolarHBondContact OE2-NH1 3.35Å; E91-R297 IonicContact OE2-NH2 3.92Å; C104-R297 PolarHBondContact SG-NH2 2.78Å; C104-R297 VanDerWaalsContact SG-NH2 3.45Å; T155-R297 VanDerWaalsContact CG2-CZ 3.43Å; G292-R297 WeakPolarHBondContact O-CG 3.34Å; G292-R297 PolarHBondContact O-NE 2.99Å; F294-R297 CarbonylContact O-C 3.59Å; F294-R297 WeakPolarHBondContact O-CA 3.44Å; F294-R297 PolarHBondContact O-N 3.21Å; F294-R297 VanDerWaalsContact O-N 3.11Å; I295-R297 PolarHBondContact O-N 3.14Å; R297-K299 HydrophobicContact CB-CD 4.32Å; R297-K299 HydrophobicContact CB-CG 3.88Å; R297-K299 PolarHBondContact O-N 3.23Å; R297-K299 VanDerWaalsContact O-N 3.14Å
298	R	90.3	Very high	91.9	Very high	98 Å²	98	60.2 Å²	60.2	37%	0.37	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	30.4	-175.8	-53	167.7	-178.4	72.9	-5.3	111.8	F55 E57 S107 E157 F294 I295 C296	F55-R298 VanDerWaalsContact CD1-NH2 3.25Å; F55-R298 HydrophobicContact CE1-CG 4.27Å; E57-R298 IonicContact OE1-CZ 3.65Å; E57-R298 IonicContact OE1-NE 3.82Å; E57-R298 IonicContact OE1-NH2 2.75Å; E57-R298 PolarHBondContact OE1-NH2 2.81Å; E57-R298 IonicContact OE2-NH2 2.67Å; E57-R298 PolarHBondContact OE2-NH2 3.47Å; S107-R298 PolarHBondContact OG-NH1 2.97Å; E157-R298 IonicContact OE1-NH1 2.69Å; E157-R298 PolarHBondContact OE1-NH1 2.94Å; E157-R298 IonicContact OE2-NH1 3.11Å; E157-R298 PolarHBondContact OE2-NH1 3.14Å; E157-R298 VanDerWaalsContact OE2-NH1 3.13Å; F294-R298 PolarHBondContact O-N 3.27Å; I295-R298 PolarHBondContact O-N 2.92Å; I295-R298 VanDerWaalsContact O-N 3.14Å; C296-R298 PolarHBondContact O-NH1 2.71Å
299	K	89.6	Confident	91.9	Very high	95 Å²	95	59.4 Å²	59.4	41%	0.413	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-91.1	153.9	174.6	-60.9	-171.8	-176.1	-177.7	0	110.2	D100 F294 R297 L301	D100-K299 IonicContact OD1-NZ 3.88Å; D100-K299 IonicContact OD2-NZ 2.81Å; D100-K299 PolarHBondContact OD2-NZ 2.81Å; F294-K299 HydrophobicContact CD1-CB 4.22Å; F294-K299 PolarHBondContact O-N 2.77Å; R297-K299 HydrophobicContact CB-CD 4.32Å; R297-K299 HydrophobicContact CB-CG 3.88Å; R297-K299 PolarHBondContact O-N 3.23Å; R297-K299 VanDerWaalsContact O-N 3.14Å; K299-L301 PolarHBondContact O-N 3.14Å
300	T	91.6	Very high	91.9	Very high	128 Å²	128	62 Å²	62	79%	0.785	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61.6	134.7	174.7	46.4	0	0	0	0	110.5	F294	F294-T300 WeakPolarHBondContact CD1-O 3.34Å
301	L	94.1	Very high	91.9	Very high	39 Å²	39	63.9 Å²	63.9	20%	0.204	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.5	148	174.8	-69.1	174.6	0	0	0	110.3	F294 I295 K299 C303 V309 L311 F314	F294-L301 HydrophobicContact CB-CD2 3.75Å; F294-L301 HydrophobicContact CG-CD2 4.33Å; I295-L301 HydrophobicContact CG1-CD2 4Å; K299-L301 PolarHBondContact O-N 3.14Å; L301-C303 PolarHBondContact O-N 2.87Å; L301-V309 VanDerWaalsContact CB-O 3.29Å; L301-V309 WeakPolarHBondContact CB-O 3.46Å; L301-V309 WeakPolarHBondContact CD1-O 3.31Å; L301-L311 HydrophobicContact CD1-CD2 4.05Å; L301-L311 HydrophobicContact CD1-CG 4.33Å; L301-F314 HydrophobicContact CD1-CE2 4.19Å; L301-F314 HydrophobicContact CD2-CE2 3.71Å; L301-F314 HydrophobicContact CD2-CZ 4.27Å
302	P	94.1	Very high	91.8	Very high	13 Å²	13	67.9 Å²	67.9	8%	0.084	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-57	133.2	178.5	-29.1	39.1	0	0	0	112.8	F274 F277 F294 V309	F274-P302 HydrophobicContact CB-CB 4.37Å; F274-P302 HydrophobicContact CD1-CB 3.42Å; F274-P302 VanDerWaalsContact CD1-CB 3.42Å; F274-P302 HydrophobicContact CD2-CB 4.41Å; F274-P302 HydrophobicContact CE1-CB 3.72Å; F274-P302 HydrophobicContact CG-CB 3.81Å; F274-P302 HydrophobicContact CZ-CB 4.35Å; F277-P302 HydrophobicContact CE2-CG 3.99Å; F294-P302 HydrophobicContact CE1-CG 3.84Å; F294-P302 HydrophobicContact CE2-CG 3.97Å; F294-P302 HydrophobicContact CZ-CG 3.51Å; P302-V309 PolarHBondContact O-N 3.34Å
303	C	94.4	Very high	91.9	Very high	62 Å²	62	67.8 Å²	67.8	42%	0.419	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.8	175.1	-169.4	0	0	0	0	111.2	L301 E307 C308	L301-C303 PolarHBondContact O-N 2.87Å; C303-E307 WeakPolarHBondContact CA-O 3.22Å; C303-E307 PolarHBondContact SG-O 3.46Å; C303-C308 HydrophobicContact CB-CB 3.61Å; C303-C308 WeakPolarHBondContact CB-SG 3.36Å; C303-C308 VanDerWaalsContact SG-CA 3.51Å; C303-C308 WeakPolarHBondContact SG-CB 3.41Å; C303-C308 CovalentContact SG-SG 2.04Å; C303-C308 PolarHBondContact SG-SG 3.23Å
304	R	91.9	Very high	92.2	Very high	145 Å²	145	66.3 Å²	66.3	55%	0.547	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.2	173.7	-173.6	-173.8	-64.9	163.9	4.7	109.2	F274 K306 E307	F274-R304 HydrophobicContact CE1-CB 4.22Å; R304-K306 PolarHBondContact O-N 2.88Å; R304-E307 PolarHBondContact N-O 2.99Å; R304-E307 PolarHBondContact O-N 3.23Å
305	L	85.5	Confident	92.3	Very high	173 Å²	173	66.5 Å²	66.5	91%	0.906	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-103.2	-176.5	-58.8	170.6	0	0	0	111.9
306	K	82.8	Confident	92.3	Very high	206 Å²	206	68.3 Å²	68.3	90%	0.896	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-4	178.3	-67.1	-173.7	178	-177.9	0	113.5	R304	R304-K306 PolarHBondContact O-N 2.88Å
307	E	89.4	Confident	92.3	Very high	125 Å²	125	68.3 Å²	68.3	58%	0.584	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.1	177.9	-70.3	-176.3	170.7	0	0	109.2	C303 R304	C303-E307 WeakPolarHBondContact CA-O 3.22Å; C303-E307 PolarHBondContact SG-O 3.46Å; R304-E307 PolarHBondContact N-O 2.99Å; R304-E307 PolarHBondContact O-N 3.23Å
308	C	94.3	Very high	92.6	Very high	52 Å²	52	67 Å²	67	35%	0.351	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.6	174.6	-50.6	0	0	0	0	110.6	K270 C303	K270-C308 WeakPolarHBondContact CD-O 3.35Å; K270-C308 WeakPolarHBondContact CE-O 3.37Å; K270-C308 PolarHBondContact NZ-O 3.36Å; C303-C308 HydrophobicContact CB-CB 3.61Å; C303-C308 WeakPolarHBondContact CB-SG 3.36Å; C303-C308 VanDerWaalsContact SG-CA 3.51Å; C303-C308 WeakPolarHBondContact SG-CB 3.41Å; C303-C308 CovalentContact SG-SG 2.04Å; C303-C308 PolarHBondContact SG-SG 3.23Å
309	V	95.6	Very high	92.7	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.018	34%	0.338	C	S	.	.			trans	-70.6	130.2	158.3	176.7	0	0	0	0	107.6	F271 F274 L301 P302 F314	F271-V309 HydrophobicContact CD1-CG1 4.05Å; F271-V309 HydrophobicContact CD1-CG2 4.04Å; F271-V309 HydrophobicContact CE1-CB 4.41Å; F271-V309 HydrophobicContact CE1-CG1 3.32Å; F271-V309 HydrophobicContact CE1-CG2 4.16Å; F271-V309 HydrophobicContact CZ-CG1 3.79Å; F274-V309 HydrophobicContact CD2-CG2 3.68Å; F274-V309 HydrophobicContact CE2-CG2 3.6Å; F274-V309 HydrophobicContact CZ-CG2 4.48Å; L301-V309 VanDerWaalsContact CB-O 3.29Å; L301-V309 WeakPolarHBondContact CB-O 3.46Å; L301-V309 WeakPolarHBondContact CD1-O 3.31Å; P302-V309 PolarHBondContact O-N 3.34Å; V309-F314 HydrophobicContact CG1-CD2 4.18Å; V309-F314 HydrophobicContact CG1-CE2 3.46Å; V309-F314 VanDerWaalsContact CG1-CE2 3.46Å; V309-F314 HydrophobicContact CG1-CZ 3.88Å
310	T	95.1	Very high	93	Very high	58 Å²	58	63 Å²	63	36%	0.356	32%	0.324	S	S	.	.			trans	-117	172	-180	70.9	0	0	0	0	110.6	D312 S313 F314	T310-D312 PolarHBondContact O-N 2.5Å; T310-D312 PolarHBondContact OG1-N 2.76Å; T310-S313 PolarHBondContact N-OG 2.72Å; T310-S313 WeakPolarHBondContact O-CB 3.43Å; T310-S313 PolarHBondContact O-N 3.38Å; T310-S313 PolarHBondContact OG1-N 3.1Å; T310-S313 PolarHBondContact OG1-OG 3.29Å; T310-F314 WeakPolarHBondContact O-CD2 3.38Å
311	L	94.8	Very high	93.1	Very high	40 Å²	40	57 Å²	57	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-32.3	171.5	-60.9	174.6	0	0	0	111.7	I49 R50 I295 L301 S313 F314 N315	I49-L311 HydrophobicContact CG2-CB 4.18Å; I49-L311 HydrophobicContact CG2-CD2 3.76Å; R50-L311 HydrophobicContact CG-CD1 4.37Å; R50-L311 HydrophobicContact CG-CD2 4.37Å; R50-L311 VanDerWaalsContact NH1-CD1 3.25Å; I295-L311 HydrophobicContact CD1-CD2 4.28Å; I295-L311 HydrophobicContact CG1-CD2 4.23Å; I295-L311 HydrophobicContact CG2-CD2 4.41Å; L301-L311 HydrophobicContact CD1-CD2 4.05Å; L301-L311 HydrophobicContact CD1-CG 4.33Å; L311-S313 VanDerWaalsContact C-N 3.33Å; L311-F314 PolarHBondContact O-N 2.94Å; L311-N315 VanDerWaalsContact O-CG 3.26Å; L311-N315 PolarHBondContact O-N 2.87Å; L311-N315 PolarHBondContact O-ND2 3.17Å
312	D	93.7	Very high	93.1	Very high	86 Å²	86	56.4 Å²	56.4	46%	0.46	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-39.1	175	-170.3	66.5	0	0	0	111.9	T310 F314 N315 K316	T310-D312 PolarHBondContact O-N 2.5Å; T310-D312 PolarHBondContact OG1-N 2.76Å; D312-F314 PolarHBondContact O-N 3.1Å; D312-N315 PolarHBondContact O-N 3.21Å; D312-N315 VanDerWaalsContact O-N 3.12Å; D312-K316 WeakPolarHBondContact O-CG 3.39Å; D312-K316 PolarHBondContact O-N 2.88Å; D312-K316 VanDerWaalsContact OD2-CE 3.3Å; D312-K316 WeakPolarHBondContact OD2-CE 3.44Å
313	S	95.1	Very high	93.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-49.3	-46	171.3	-58.9	0	0	0	0	111.8	E267 K270 T310 L311 M317	E267-S313 WeakPolarHBondContact OE2-CA 3.4Å; E267-S313 WeakPolarHBondContact OE2-CB 3.25Å; E267-S313 PolarHBondContact OE2-OG 3.31Å; K270-S313 PolarHBondContact NZ-OG 3.14Å; T310-S313 PolarHBondContact N-OG 2.72Å; T310-S313 WeakPolarHBondContact O-CB 3.43Å; T310-S313 PolarHBondContact O-N 3.38Å; T310-S313 PolarHBondContact OG1-N 3.1Å; T310-S313 PolarHBondContact OG1-OG 3.29Å; L311-S313 VanDerWaalsContact C-N 3.33Å; S313-M317 WeakPolarHBondContact O-CG 3.24Å; S313-M317 PolarHBondContact O-N 3.36Å
314	F	95.7	Very high	93.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.6	-37.5	179.5	-68.6	-80.1	0	0	0	113.6	I49 F271 F277 I295 L301 V309 T310 L311 D312 K316 M317 I318	I49-F314 HydrophobicContact CB-CB 4.25Å; I49-F314 HydrophobicContact CD1-CB 3.29Å; I49-F314 HydrophobicContact CD1-CD1 3.78Å; I49-F314 HydrophobicContact CD1-CD2 4.34Å; I49-F314 HydrophobicContact CD1-CG 3.57Å; I49-F314 HydrophobicContact CG1-CB 4.3Å; I49-F314 HydrophobicContact CG2-CB 4.15Å; F271-F314 AromaticContact CE1-CD1 3.95Å; F271-F314 HydrophobicContact CE1-CD1 3.95Å; F271-F314 HydrophobicContact CE1-CD2 4.47Å; F271-F314 AromaticContact CE1-CE1 3.42Å; F271-F314 HydrophobicContact CE1-CE1 3.42Å; F271-F314 VanDerWaalsContact CE1-CE1 3.42Å; F271-F314 HydrophobicContact CE1-CE2 4.01Å; F271-F314 HydrophobicContact CE1-CG 4.45Å; F271-F314 AromaticContact CE1-CZ 3.47Å; F271-F314 HydrophobicContact CE1-CZ 3.47Å; F271-F314 VanDerWaalsContact CE1-CZ 3.47Å; F271-F314 AromaticContact CZ-CD1 3.65Å; F271-F314 HydrophobicContact CZ-CD1 3.65Å; F271-F314 HydrophobicContact CZ-CD2 4.19Å; F271-F314 AromaticContact CZ-CE1 3.65Å; F271-F314 HydrophobicContact CZ-CE1 3.65Å; F271-F314 HydrophobicContact CZ-CE2 4.18Å; F271-F314 AromaticContact CZ-CG 3.93Å; F271-F314 HydrophobicContact CZ-CG 3.93Å; F271-F314 AromaticContact CZ-CZ 3.94Å; F271-F314 HydrophobicContact CZ-CZ 3.94Å; F277-F314 HydrophobicContact CE1-CE1 4.28Å; F277-F314 HydrophobicContact CE1-CZ 4.29Å; F277-F314 HydrophobicContact CZ-CE1 4.36Å; F277-F314 AromaticContact CZ-CZ 3.92Å; F277-F314 HydrophobicContact CZ-CZ 3.92Å; I295-F314 HydrophobicContact CD1-CD1 4.43Å; I295-F314 HydrophobicContact CD1-CD2 3.74Å; I295-F314 HydrophobicContact CD1-CE1 4.43Å; I295-F314 HydrophobicContact CD1-CE2 3.75Å; I295-F314 HydrophobicContact CD1-CG 4.1Å; I295-F314 HydrophobicContact CD1-CZ 4.09Å; I295-F314 HydrophobicContact CG1-CE2 4.42Å; L301-F314 HydrophobicContact CD1-CE2 4.19Å; L301-F314 HydrophobicContact CD2-CE2 3.71Å; L301-F314 HydrophobicContact CD2-CZ 4.27Å; V309-F314 HydrophobicContact CG1-CD2 4.18Å; V309-F314 HydrophobicContact CG1-CE2 3.46Å; V309-F314 VanDerWaalsContact CG1-CE2 3.46Å; V309-F314 HydrophobicContact CG1-CZ 3.88Å; T310-F314 WeakPolarHBondContact O-CD2 3.38Å; L311-F314 PolarHBondContact O-N 2.94Å; D312-F314 PolarHBondContact O-N 3.1Å; F314-K316 PolarHBondContact O-N 3.29Å; F314-M317 WeakPolarHBondContact O-CB 3.44Å; F314-M317 PolarHBondContact O-N 3.12Å; F314-M317 VanDerWaalsContact O-N 3.1Å; F314-I318 WeakPolarHBondContact O-CG1 3.2Å; F314-I318 PolarHBondContact O-N 3.37Å
315	N	94	Very high	93.2	Very high	28 Å²	28	49.3 Å²	49.3	15%	0.15	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-39.5	177.2	-68.7	-23.5	0	0	0	110.7	I49 L311 D312 I318 N319	I49-N315 WeakPolarHBondContact CB-OD1 3.25Å; I49-N315 PolarHBondContact N-OD1 3.45Å; L311-N315 VanDerWaalsContact O-CG 3.26Å; L311-N315 PolarHBondContact O-N 2.87Å; L311-N315 PolarHBondContact O-ND2 3.17Å; D312-N315 PolarHBondContact O-N 3.21Å; D312-N315 VanDerWaalsContact O-N 3.12Å; N315-I318 PolarHBondContact O-N 2.63Å; N315-N319 VanDerWaalsContact O-CB 3.28Å; N315-N319 WeakPolarHBondContact O-CB 3.47Å; N315-N319 PolarHBondContact O-N 3.45Å; N315-N319 PolarHBondContact O-ND2 3.04Å
316	K	94.4	Very high	93.6	Very high	49 Å²	49	43 Å²	43	21%	0.213	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-47.1	172.6	-72.3	177.1	176.4	-152.7	0	112.6	D263 V264 E267 D312 F314 I318 N319 L320	D263-K316 WeakPolarHBondContact OD2-CE 3.38Å; D263-K316 IonicContact OD2-NZ 3.1Å; D263-K316 PolarHBondContact OD2-NZ 3.23Å; V264-K316 HydrophobicContact CG2-CB 4.37Å; E267-K316 HydrophobicContact CG-CD 3.84Å; D312-K316 WeakPolarHBondContact O-CG 3.39Å; D312-K316 PolarHBondContact O-N 2.88Å; D312-K316 VanDerWaalsContact OD2-CE 3.3Å; D312-K316 WeakPolarHBondContact OD2-CE 3.44Å; F314-K316 PolarHBondContact O-N 3.29Å; K316-I318 PolarHBondContact O-N 2.65Å; K316-N319 PolarHBondContact O-N 2.04Å; K316-L320 PolarHBondContact O-N 2.86Å
317	M	94.6	Very high	94.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-42.6	177.7	-63.8	-58.3	167.3	0	0	112.7	F256 V264 E267 E268 F271 P283 M286 I287 S313 F314 T321	F256-M317 HydrophobicContact CE2-SD 4.23Å; F256-M317 HydrophobicContact CZ-SD 3.76Å; V264-M317 HydrophobicContact CG1-CE 3.96Å; V264-M317 HydrophobicContact CG1-SD 3.89Å; V264-M317 WeakPolarHBondContact O-CE 3.41Å; E267-M317 HydrophobicContact CB-CE 3.64Å; E268-M317 HydrophobicContact CB-CE 3.88Å; E268-M317 VanDerWaalsContact N-CE 3.26Å; F271-M317 HydrophobicContact CD2-CE 3.91Å; F271-M317 HydrophobicContact CE2-CE 3.95Å; F271-M317 HydrophobicContact CE2-CG 3.87Å; P283-M317 HydrophobicContact CB-CB 4.4Å; P283-M317 HydrophobicContact CB-SD 4.37Å; M286-M317 HydrophobicContact SD-CE 4.43Å; I287-M317 HydrophobicContact CD1-CB 4.45Å; I287-M317 HydrophobicContact CG1-CB 4.49Å; S313-M317 WeakPolarHBondContact O-CG 3.24Å; S313-M317 PolarHBondContact O-N 3.36Å; F314-M317 WeakPolarHBondContact O-CB 3.44Å; F314-M317 PolarHBondContact O-N 3.12Å; F314-M317 VanDerWaalsContact O-N 3.1Å; M317-T321 VanDerWaalsContact O-CB 3.24Å; M317-T321 WeakPolarHBondContact O-CB 3.33Å; M317-T321 PolarHBondContact O-N 3.18Å; M317-T321 PolarHBondContact O-OG1 3.27Å
318	I	93.8	Very high	94.6	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-45.7	178.1	-73	166.6	0	0	0	111	I49 M52 I287 F314 N315 K316 L320 T321 T322 V389	I49-I318 HydrophobicContact CB-CD1 3.77Å; I49-I318 HydrophobicContact CD1-CD1 3.56Å; I49-I318 HydrophobicContact CG1-CD1 3.57Å; M52-I318 HydrophobicContact CG-CD1 4.47Å; M52-I318 HydrophobicContact SD-CD1 3.38Å; M52-I318 WeakPolarHBondContact SD-CD1 3.18Å; M52-I318 HydrophobicContact SD-CG1 4.18Å; I287-I318 HydrophobicContact CD1-CG1 3.61Å; I287-I318 HydrophobicContact CG1-CG1 4Å; F314-I318 WeakPolarHBondContact O-CG1 3.2Å; F314-I318 PolarHBondContact O-N 3.37Å; N315-I318 PolarHBondContact O-N 2.63Å; K316-I318 PolarHBondContact O-N 2.65Å; I318-L320 PolarHBondContact O-N 2.99Å; I318-T321 PolarHBondContact O-N 3.49Å; I318-T322 VanDerWaalsContact O-CB 3.29Å; I318-T322 WeakPolarHBondContact O-CB 3.46Å; I318-T322 PolarHBondContact O-N 3.37Å; I318-T322 PolarHBondContact O-OG1 3.14Å; I318-V389 HydrophobicContact CG2-CG1 3.3Å
319	N	93.4	Very high	94.7	Very high	88 Å²	88	30.3 Å²	30.3	47%	0.471	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-45.5	-178.9	-74.5	-17.4	0	0	0	111.3	N315 K316 T322 S323	N315-N319 VanDerWaalsContact O-CB 3.28Å; N315-N319 WeakPolarHBondContact O-CB 3.47Å; N315-N319 PolarHBondContact O-N 3.45Å; N315-N319 PolarHBondContact O-ND2 3.04Å; K316-N319 PolarHBondContact O-N 2.04Å; N319-T322 PolarHBondContact O-N 3.29Å; N319-S323 WeakPolarHBondContact O-CB 3.49Å; N319-S323 PolarHBondContact O-N 3.35Å; N319-S323 PolarHBondContact O-OG 2.54Å
320	L	94.3	Very high	94.7	Very high	21 Å²	21	33 Å²	33	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-43.4	176.6	-177.9	55.9	0	0	0	111.3	F256 M259 K260 V264 K316 I318 T322 S323 R324	F256-L320 HydrophobicContact CD2-CD2 3.6Å; F256-L320 HydrophobicContact CD2-CG 3.85Å; F256-L320 HydrophobicContact CE2-CB 4.32Å; F256-L320 HydrophobicContact CE2-CD2 3.43Å; F256-L320 VanDerWaalsContact CE2-CD2 3.43Å; F256-L320 HydrophobicContact CE2-CG 3.92Å; F256-L320 HydrophobicContact CG-CD2 4.45Å; F256-L320 HydrophobicContact CZ-CD2 4.14Å; M259-L320 HydrophobicContact CB-CD1 3.85Å; M259-L320 HydrophobicContact CE-CD1 4.2Å; K260-L320 HydrophobicContact CB-CD2 3.69Å; V264-L320 HydrophobicContact CB-CD2 4.44Å; V264-L320 HydrophobicContact CG1-CD2 3.81Å; V264-L320 HydrophobicContact CG2-CD2 4.47Å; K316-L320 PolarHBondContact O-N 2.86Å; I318-L320 PolarHBondContact O-N 2.99Å; L320-T322 PolarHBondContact O-N 3.02Å; L320-S323 PolarHBondContact O-N 2.91Å; L320-R324 WeakPolarHBondContact O-CB 3.49Å; L320-R324 PolarHBondContact O-N 2.73Å
321	T	93.3	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-42.2	177.9	-66.3	0	0	0	0	112.4	F284 M317 I318 R324 G325 D390	F284-T321 HydrophobicContact CD1-CG2 4.07Å; F284-T321 HydrophobicContact CE1-CG2 3.44Å; F284-T321 VanDerWaalsContact CE1-CG2 3.44Å; F284-T321 HydrophobicContact CE2-CG2 4.11Å; F284-T321 HydrophobicContact CZ-CG2 3.46Å; F284-T321 VanDerWaalsContact CZ-CG2 3.46Å; M317-T321 VanDerWaalsContact O-CB 3.24Å; M317-T321 WeakPolarHBondContact O-CB 3.33Å; M317-T321 PolarHBondContact O-N 3.18Å; M317-T321 PolarHBondContact O-OG1 3.27Å; I318-T321 PolarHBondContact O-N 3.49Å; T321-R324 PolarHBondContact OG1-NH2 2.94Å; T321-G325 PolarHBondContact O-N 2.89Å; T321-D390 HydrophobicContact CG2-CB 4.47Å; T321-D390 WeakPolarHBondContact CG2-O 3.42Å
322	T	94.4	Very high	94.8	Very high	28 Å²	28	40 Å²	40	17%	0.172	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-49	176.7	-61.5	0	0	0	0	111.4	I318 N319 L320 G325 S326 F388 D390	I318-T322 VanDerWaalsContact O-CB 3.29Å; I318-T322 WeakPolarHBondContact O-CB 3.46Å; I318-T322 PolarHBondContact O-N 3.37Å; I318-T322 PolarHBondContact O-OG1 3.14Å; N319-T322 PolarHBondContact O-N 3.29Å; L320-T322 PolarHBondContact O-N 3.02Å; T322-G325 PolarHBondContact O-N 3.32Å; T322-S326 PolarHBondContact O-N 2.84Å; T322-S326 VanDerWaalsContact O-N 3.14Å; T322-F388 VanDerWaalsContact CG2-O 3.23Å; T322-F388 WeakPolarHBondContact CG2-O 3.42Å; T322-D390 PolarHBondContact OG1-N 3.01Å
323	S	93.8	Very high	94.9	Very high	70 Å²	70	37.8 Å²	37.8	49%	0.49	19%	0.193	S	C	.	.	H	α-helix	trans	-65.4	-44.7	-179.4	-55.9	0	0	0	0	111.4	N319 L320 S326 R327	N319-S323 WeakPolarHBondContact O-CB 3.49Å; N319-S323 PolarHBondContact O-N 3.35Å; N319-S323 PolarHBondContact O-OG 2.54Å; L320-S323 PolarHBondContact O-N 2.91Å; S323-S326 PolarHBondContact O-N 3.16Å; S323-R327 WeakPolarHBondContact O-CB 3.31Å; S323-R327 PolarHBondContact O-N 2.8Å
324	R	94.7	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-54.7	-54	173.5	169	-175	59	167	-11.4	111.3	H252 Q255 M259 P283 L320 T321 S326 R327 M328	H252-R324 PolarHBondContact CE1-NE 3.33Å; H252-R324 PolarHBondContact CE1-NH1 3.1Å; H252-R324 VanDerWaalsContact CE1-NH1 3.34Å; H252-R324 PolarHBondContact CE1-NH2 3.43Å; H252-R324 PolarHBondContact ND1-NH1 3.36Å; H252-R324 PolarHBondContact ND1-NH2 3.29Å; H252-R324 PolarHBondContact NE2-NE 3.49Å; H252-R324 VanDerWaalsContact O-CD 3.26Å; H252-R324 WeakPolarHBondContact O-CD 3.25Å; H252-R324 PolarHBondContact O-NH1 3.39Å; Q255-R324 HydrophobicContact CB-CG 4.13Å; M259-R324 HydrophobicContact CE-CB 4.4Å; M259-R324 HydrophobicContact SD-CB 4.08Å; M259-R324 HydrophobicContact SD-CG 4.39Å; P283-R324 VanDerWaalsContact CG-NH2 3.34Å; L320-R324 WeakPolarHBondContact O-CB 3.49Å; L320-R324 PolarHBondContact O-N 2.73Å; T321-R324 PolarHBondContact OG1-NH2 2.94Å; R324-S326 PolarHBondContact O-N 2.83Å; R324-R327 PolarHBondContact O-N 2.64Å; R324-M328 HydrophobicContact CG-CG 4.37Å; R324-M328 HydrophobicContact CG-SD 3.91Å; R324-M328 WeakPolarHBondContact O-CG 3.29Å; R324-M328 PolarHBondContact O-N 3.03Å
325	G	94.3	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-34.9	-177.6	0	0	0	0	0	112.5	T321 T322 F329 R382	T321-G325 PolarHBondContact O-N 2.89Å; T322-G325 PolarHBondContact O-N 3.32Å; G325-F329 PolarHBondContact O-N 3.47Å; G325-R382 PolarHBondContact O-NH2 3.15Å
326	S	94.8	Very high	95	Very high	42 Å²	42	40 Å²	40	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-69.3	-49.6	174.8	-150	0	0	0	0	111.7	T322 S323 R324 M328 F329 D330 R382	T322-S326 PolarHBondContact O-N 2.84Å; T322-S326 VanDerWaalsContact O-N 3.14Å; S323-S326 PolarHBondContact O-N 3.16Å; R324-S326 PolarHBondContact O-N 2.83Å; S326-M328 VanDerWaalsContact C-N 3.33Å; S326-M328 PolarHBondContact O-N 2.79Å; S326-F329 PolarHBondContact O-N 2.75Å; S326-F329 VanDerWaalsContact O-N 3.14Å; S326-D330 WeakPolarHBondContact O-CB 3.49Å; S326-D330 PolarHBondContact O-N 2.88Å; S326-D330 PolarHBondContact OG-OD2 2.96Å; S326-R382 VanDerWaalsContact N-NH1 3.12Å; S326-R382 PolarHBondContact OG-NH1 2.94Å
327	R	95.8	Very high	95.1	Very high	115 Å²	115	39.5 Å²	39.5	43%	0.434	21%	0.214	S	C	.	.	H	α-helix	trans	-56.2	-48.4	179	-172	-174.6	179.2	-173.2	-2.3	111.5	S323 R324 F329 D330 D331 I333	S323-R327 WeakPolarHBondContact O-CB 3.31Å; S323-R327 PolarHBondContact O-N 2.8Å; R324-R327 PolarHBondContact O-N 2.64Å; R327-F329 PolarHBondContact O-N 2.74Å; R327-D330 PolarHBondContact O-N 2.98Å; R327-D331 WeakPolarHBondContact CG-OD2 3.46Å; R327-D331 IonicContact NE-OD2 2.76Å; R327-D331 PolarHBondContact NE-OD2 3.03Å; R327-D331 VanDerWaalsContact O-CB 3.27Å; R327-D331 WeakPolarHBondContact O-CB 3.38Å; R327-D331 PolarHBondContact O-N 2.68Å; R327-I333 HydrophobicContact CG-CD1 4.29Å
328	M	97.2	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.8	-39.8	179.9	-71.7	-179.5	73.2	0	0	112.3	Y248 E251 H252 Q255 R324 S326 K332 I333 A336	Y248-M328 HydrophobicContact CE2-CE 4.34Å; E251-M328 HydrophobicContact CB-CE 3.99Å; H252-M328 HydrophobicContact CB-CE 4.25Å; H252-M328 HydrophobicContact CB-SD 4.24Å; H252-M328 PolarHBondContact CD2-SD 2.63Å; Q255-M328 HydrophobicContact CB-CG 4.25Å; Q255-M328 HydrophobicContact CB-SD 3.81Å; Q255-M328 HydrophobicContact CG-CE 4.01Å; Q255-M328 HydrophobicContact CG-CG 3.97Å; Q255-M328 HydrophobicContact CG-SD 3.83Å; R324-M328 HydrophobicContact CG-CG 4.37Å; R324-M328 HydrophobicContact CG-SD 3.91Å; R324-M328 WeakPolarHBondContact O-CG 3.29Å; R324-M328 PolarHBondContact O-N 3.03Å; S326-M328 VanDerWaalsContact C-N 3.33Å; S326-M328 PolarHBondContact O-N 2.79Å; M328-K332 PolarHBondContact O-N 2.86Å; M328-I333 HydrophobicContact CB-CB 4.32Å; M328-I333 HydrophobicContact CG-CB 4.31Å; M328-I333 HydrophobicContact CG-CD1 4.43Å; M328-I333 PolarHBondContact O-N 3.18Å; M328-A336 HydrophobicContact CB-CB 3.94Å; M328-A336 HydrophobicContact CE-CB 4.46Å
329	F	96.7	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72.8	-49.1	176.4	-174.2	-90.5	0	0	0	112.7	G325 S326 R327 K332 R337 Q340 R382 V383	G325-F329 PolarHBondContact O-N 3.47Å; S326-F329 PolarHBondContact O-N 2.75Å; S326-F329 VanDerWaalsContact O-N 3.14Å; R327-F329 PolarHBondContact O-N 2.74Å; F329-K332 PolarHBondContact O-N 2.78Å; F329-R337 HydrophobicContact CD2-CB 4.1Å; F329-R337 HydrophobicContact CD2-CG 4.04Å; F329-R337 HydrophobicContact CE1-CG 4.49Å; F329-R337 HydrophobicContact CE2-CB 4.2Å; F329-R337 HydrophobicContact CE2-CG 3.68Å; F329-R337 HydrophobicContact CZ-CG 3.93Å; F329-R337 VanDerWaalsContact O-CZ 3.22Å; F329-R337 PolarHBondContact O-NE 2.82Å; F329-R337 PolarHBondContact O-NH2 2.84Å; F329-Q340 HydrophobicContact CD2-CB 4.2Å; F329-Q340 HydrophobicContact CE2-CB 4.09Å; F329-R382 HydrophobicContact CB-CG 3.68Å; F329-R382 HydrophobicContact CD1-CG 3.49Å; F329-R382 VanDerWaalsContact CD1-CG 3.49Å; F329-R382 HydrophobicContact CD2-CB 4.38Å; F329-R382 HydrophobicContact CD2-CG 3.47Å; F329-R382 VanDerWaalsContact CD2-CG 3.47Å; F329-R382 HydrophobicContact CE1-CG 3.88Å; F329-R382 HydrophobicContact CE2-CB 4.42Å; F329-R382 HydrophobicContact CE2-CG 3.85Å; F329-R382 HydrophobicContact CG-CG 3.25Å; F329-R382 HydrophobicContact CZ-CG 4.05Å; F329-V383 HydrophobicContact CE2-CG1 4.17Å; F329-V383 HydrophobicContact CZ-CG1 4.12Å
330	D	94.7	Very high	95.4	Very high	59 Å²	59	37.8 Å²	37.8	32%	0.316	20%	0.201	S	C	.	.	H	α-helix	trans	-72.2	-36.2	-172.4	-68.6	-42.6	0	0	0	112.3	S326 R327 K332 R337 R426	S326-D330 WeakPolarHBondContact O-CB 3.49Å; S326-D330 PolarHBondContact O-N 2.88Å; S326-D330 PolarHBondContact OG-OD2 2.96Å; R327-D330 PolarHBondContact O-N 2.98Å; D330-K332 VanDerWaalsContact C-N 3.32Å; D330-K332 PolarHBondContact O-N 3.36Å; D330-R337 VanDerWaalsContact C-NH2 3.3Å; D330-R337 PolarHBondContact O-NH2 2.79Å; D330-R426 IonicContact OD1-CZ 3.21Å; D330-R426 IonicContact OD1-NH1 2.98Å; D330-R426 PolarHBondContact OD1-NH1 3.01Å; D330-R426 IonicContact OD1-NH2 3.38Å; D330-R426 PolarHBondContact OD1-NH2 2.81Å
331	D	96.3	Very high	95.5	Very high	98 Å²	98	36.8 Å²	36.8	52%	0.524	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	1.6	178.6	-63.7	-7.8	0	0	0	113	R327 I333	R327-D331 WeakPolarHBondContact CG-OD2 3.46Å; R327-D331 IonicContact NE-OD2 2.76Å; R327-D331 PolarHBondContact NE-OD2 3.03Å; R327-D331 VanDerWaalsContact O-CB 3.27Å; R327-D331 WeakPolarHBondContact O-CB 3.38Å; R327-D331 PolarHBondContact O-N 2.68Å; D331-I333 VanDerWaalsContact C-N 3.34Å; D331-I333 HydrophobicContact CB-CD1 4.23Å; D331-I333 HydrophobicContact CB-CG1 3.96Å; D331-I333 PolarHBondContact O-N 2.88Å
332	K	95.9	Very high	95.6	Very high	148 Å²	148	36.8 Å²	36.8	64%	0.643	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	39.8	-178.6	-52.1	172.6	-175.7	178.2	0	113	M328 F329 D330 G334	M328-K332 PolarHBondContact O-N 2.86Å; F329-K332 PolarHBondContact O-N 2.78Å; D330-K332 VanDerWaalsContact C-N 3.32Å; D330-K332 PolarHBondContact O-N 3.36Å; K332-G334 PolarHBondContact O-N 3.07Å
333	I	95.9	Very high	95.7	Very high	39 Å²	39	35.6 Å²	35.6	20%	0.2	19%	0.188	C	C	.	.			trans	-76.7	124.9	178.7	-55.8	177.9	0	0	0	109.1	Q255 R327 M328 D331 A336	Q255-I333 HydrophobicContact CG-CG2 4.16Å; R327-I333 HydrophobicContact CG-CD1 4.29Å; M328-I333 HydrophobicContact CB-CB 4.32Å; M328-I333 HydrophobicContact CG-CB 4.31Å; M328-I333 HydrophobicContact CG-CD1 4.43Å; M328-I333 PolarHBondContact O-N 3.18Å; D331-I333 VanDerWaalsContact C-N 3.34Å; D331-I333 HydrophobicContact CB-CD1 4.23Å; D331-I333 HydrophobicContact CB-CG1 3.96Å; D331-I333 PolarHBondContact O-N 2.88Å; I333-A336 WeakPolarHBondContact O-CB 3.5Å; I333-A336 PolarHBondContact O-N 3.41Å
334	G	95.3	Very high	95.8	Very high	48 Å²	48	32.2 Å²	32.2	50%	0.495	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-141.7	173.7	0	0	0	0	0	113.4	E251 K332 A336	E251-G334 VanDerWaalsContact OE1-CA 3.28Å; E251-G334 WeakPolarHBondContact OE1-CA 3.46Å; E251-G334 VanDerWaalsContact OE2-CA 3.3Å; E251-G334 WeakPolarHBondContact OE2-CA 3.38Å; K332-G334 PolarHBondContact O-N 3.07Å; G334-A336 VanDerWaalsContact C-N 3.34Å
335	V	95.7	Very high	95.9	Very high	27 Å²	27	33.8 Å²	33.8	16%	0.164	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.8	-177.6	-55.8	0	0	0	0	113.7	I244 I247 E251 R337 R338 L339	I244-V335 HydrophobicContact CG2-CB 3.95Å; I244-V335 HydrophobicContact CG2-CG2 3.81Å; I247-V335 HydrophobicContact CB-CG2 4.24Å; I247-V335 HydrophobicContact CG2-CG1 3.91Å; I247-V335 HydrophobicContact CG2-CG2 3.93Å; E251-V335 PolarHBondContact OE2-N 2.85Å; V335-R337 PolarHBondContact O-N 2.92Å; V335-R338 PolarHBondContact O-N 2.84Å; V335-L339 WeakPolarHBondContact O-CB 3.46Å; V335-L339 PolarHBondContact O-N 3.36Å
336	A	96.2	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-53.9	-52.3	-170.5	0	0	0	0	0	113.6	Y248 M328 I333 G334 R338 L339 Q340	Y248-A336 HydrophobicContact CD2-CB 3.95Å; Y248-A336 HydrophobicContact CE2-CB 3.65Å; M328-A336 HydrophobicContact CB-CB 3.94Å; M328-A336 HydrophobicContact CE-CB 4.46Å; I333-A336 WeakPolarHBondContact O-CB 3.5Å; I333-A336 PolarHBondContact O-N 3.41Å; G334-A336 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.13Å; A336-L339 PolarHBondContact O-N 2.84Å; A336-Q340 WeakPolarHBondContact O-CB 3.22Å; A336-Q340 VanDerWaalsContact O-CG 3.31Å; A336-Q340 WeakPolarHBondContact O-CG 3.05Å; A336-Q340 PolarHBondContact O-N 3.49Å
337	R	95.8	Very high	96.2	Very high	38 Å²	38	31.8 Å²	31.8	14%	0.143	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-39.8	-177.7	-168.6	175.2	-65.4	-170	-4.9	112.4	F329 D330 V335 S341 L454	F329-R337 HydrophobicContact CD2-CB 4.1Å; F329-R337 HydrophobicContact CD2-CG 4.04Å; F329-R337 HydrophobicContact CE1-CG 4.49Å; F329-R337 HydrophobicContact CE2-CB 4.2Å; F329-R337 HydrophobicContact CE2-CG 3.68Å; F329-R337 HydrophobicContact CZ-CG 3.93Å; F329-R337 VanDerWaalsContact O-CZ 3.22Å; F329-R337 PolarHBondContact O-NE 2.82Å; F329-R337 PolarHBondContact O-NH2 2.84Å; D330-R337 VanDerWaalsContact C-NH2 3.3Å; D330-R337 PolarHBondContact O-NH2 2.79Å; V335-R337 PolarHBondContact O-N 2.92Å; R337-S341 VanDerWaalsContact O-CB 3.27Å; R337-S341 WeakPolarHBondContact O-CB 3.43Å; R337-S341 PolarHBondContact O-N 3.05Å; R337-S341 PolarHBondContact O-OG 3.11Å; R337-L454 WeakPolarHBondContact CD-O 3.3Å
338	R	95.2	Very high	96.3	Very high	51 Å²	51	26.3 Å²	26.3	19%	0.192	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-51.3	177.2	177.7	179.6	167.9	176.2	-2.9	111.2	I240 V335 A336 S341 M342 M463 Y465	I240-R338 VanDerWaalsContact CD1-NH2 3.34Å; V335-R338 PolarHBondContact O-N 2.84Å; A336-R338 PolarHBondContact O-N 3.13Å; R338-S341 PolarHBondContact O-N 3.22Å; R338-M342 WeakPolarHBondContact O-CB 3.12Å; R338-M342 PolarHBondContact O-N 2.91Å; R338-M463 PolarHBondContact NE-O 3.5Å; R338-M463 VanDerWaalsContact NE-O 3.1Å; R338-M463 VanDerWaalsContact NH2-C 3.27Å; R338-M463 PolarHBondContact NH2-O 2.98Å; R338-Y465 PolarHBondContact NH1-O 3.16Å; R338-Y465 PolarHBondContact NH2-O 3.46Å
339	L	95.8	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-51.3	178.8	175	65.2	0	0	0	111.4	I244 R245 Y248 V335 A336 S341 M342 E343	I244-L339 HydrophobicContact CG2-CB 3.89Å; I244-L339 HydrophobicContact CG2-CD1 4.04Å; I244-L339 HydrophobicContact CG2-CG 4.45Å; R245-L339 HydrophobicContact CB-CD1 4.43Å; Y248-L339 HydrophobicContact CD1-CD2 3.56Å; Y248-L339 HydrophobicContact CD2-CD2 3.93Å; Y248-L339 HydrophobicContact CE1-CD2 4.33Å; Y248-L339 HydrophobicContact CG-CD2 3.32Å; V335-L339 WeakPolarHBondContact O-CB 3.46Å; V335-L339 PolarHBondContact O-N 3.36Å; A336-L339 PolarHBondContact O-N 2.84Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 2.84Å; L339-M342 HydrophobicContact CD1-CE 3.42Å; L339-M342 VanDerWaalsContact CD1-CE 3.42Å; L339-M342 WeakPolarHBondContact O-CB 3.28Å; L339-M342 PolarHBondContact O-N 3.18Å; L339-E343 HydrophobicContact CD1-CG 4Å; L339-E343 HydrophobicContact CG-CG 4.43Å; L339-E343 WeakPolarHBondContact O-CG 3.25Å; L339-E343 PolarHBondContact O-N 3.41Å
340	Q	96.9	Very high	96.3	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-32.5	-173.9	-67.2	176.6	7.8	0	0	112.1	Y248 F329 A336 E343 A344 P379	Y248-Q340 PolarHBondContact OH-NE2 3.4Å; Y248-Q340 VanDerWaalsContact OH-NE2 3.13Å; F329-Q340 HydrophobicContact CD2-CB 4.2Å; F329-Q340 HydrophobicContact CE2-CB 4.09Å; A336-Q340 WeakPolarHBondContact O-CB 3.22Å; A336-Q340 VanDerWaalsContact O-CG 3.31Å; A336-Q340 WeakPolarHBondContact O-CG 3.05Å; A336-Q340 PolarHBondContact O-N 3.49Å; Q340-E343 PolarHBondContact O-N 3.28Å; Q340-A344 WeakPolarHBondContact O-CB 3.14Å; Q340-A344 PolarHBondContact O-N 2.59Å; Q340-P379 HydrophobicContact CB-CB 4.05Å; Q340-P379 HydrophobicContact CG-CB 4.34Å; Q340-P379 HydrophobicContact CG-CG 4.4Å
341	S	96.6	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-43.6	172	-56.2	0	0	0	0	112.1	R337 R338 L339 E343 A344 Y345	R337-S341 VanDerWaalsContact O-CB 3.27Å; R337-S341 WeakPolarHBondContact O-CB 3.43Å; R337-S341 PolarHBondContact O-N 3.05Å; R337-S341 PolarHBondContact O-OG 3.11Å; R338-S341 PolarHBondContact O-N 3.22Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 2.84Å; S341-E343 VanDerWaalsContact C-N 3.32Å; S341-E343 PolarHBondContact O-N 3.5Å; S341-A344 PolarHBondContact O-N 2.88Å; S341-Y345 PolarHBondContact O-N 3.03Å; S341-Y345 VanDerWaalsContact O-N 3.13Å
342	M	95.3	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-42.5	173.4	172.6	-172.3	52	0	0	111.2	C238 H241 I244 R338 L339 Y345 P346 F460 M463	C238-M342 HydrophobicContact CB-CG 4.49Å; C238-M342 HydrophobicContact CB-SD 3.77Å; C238-M342 PolarHBondContact SG-SD 2.99Å; H241-M342 HydrophobicContact CB-CE 4.25Å; H241-M342 HydrophobicContact CB-SD 4.22Å; H241-M342 VanDerWaalsContact CD2-CE 3.41Å; H241-M342 WeakPolarHBondContact CD2-CE 3.26Å; I244-M342 HydrophobicContact CD1-CE 4.24Å; R338-M342 WeakPolarHBondContact O-CB 3.12Å; R338-M342 PolarHBondContact O-N 2.91Å; L339-M342 HydrophobicContact CD1-CE 3.42Å; L339-M342 VanDerWaalsContact CD1-CE 3.42Å; L339-M342 WeakPolarHBondContact O-CB 3.28Å; L339-M342 PolarHBondContact O-N 3.18Å; M342-Y345 PolarHBondContact O-N 2.71Å; M342-P346 WeakPolarHBondContact O-CD 3.27Å; M342-F460 HydrophobicContact CB-CE2 4.46Å; M342-F460 HydrophobicContact CG-CE2 3.91Å; M342-F460 HydrophobicContact CG-CZ 4.25Å; M342-M463 HydrophobicContact CB-CB 4.21Å; M342-M463 HydrophobicContact CB-SD 3.87Å; M342-M463 PolarHBondContact N-SD 2.81Å
343	E	96.4	Very high	96.6	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-71.9	-30.1	-177	-72.6	-176.7	147.4	0	0	113.2	S228 Y229 H241 R245 L339 Q340 S341 P379	S228-E343 WeakPolarHBondContact CB-OE1 3.39Å; S228-E343 PolarHBondContact OG-OE1 2.91Å; Y229-E343 WeakPolarHBondContact CA-O 3.37Å; Y229-E343 WeakPolarHBondContact CB-O 3.39Å; H241-E343 IonicContact CD2-OE1 3.71Å; H241-E343 IonicContact CE1-OE1 3.98Å; H241-E343 IonicContact NE2-OE1 3.38Å; H241-E343 PolarHBondContact NE2-OE1 2.7Å; R245-E343 IonicContact NH1-OE1 2.89Å; R245-E343 IonicContact NH1-OE2 3.83Å; R245-E343 PolarHBondContact NH1-OE2 3.35Å; L339-E343 HydrophobicContact CD1-CG 4Å; L339-E343 HydrophobicContact CG-CG 4.43Å; L339-E343 WeakPolarHBondContact O-CG 3.25Å; L339-E343 PolarHBondContact O-N 3.41Å; Q340-E343 PolarHBondContact O-N 3.28Å; S341-E343 VanDerWaalsContact C-N 3.32Å; S341-E343 PolarHBondContact O-N 3.5Å; E343-P379 HydrophobicContact CB-CB 3.89Å; E343-P379 HydrophobicContact CB-CG 4.01Å; E343-P379 WeakPolarHBondContact OE2-CG 3.43Å
344	A	97.4	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-77.1	-29.2	175	0	0	0	0	0	113.3	Q340 S341 I347 L348 I380 V383	Q340-A344 WeakPolarHBondContact O-CB 3.14Å; Q340-A344 PolarHBondContact O-N 2.59Å; S341-A344 PolarHBondContact O-N 2.88Å; A344-I347 PolarHBondContact O-N 2.81Å; A344-L348 HydrophobicContact CB-CD1 4.17Å; A344-L348 WeakPolarHBondContact O-CG 3.47Å; A344-L348 PolarHBondContact O-N 2.94Å; A344-I380 HydrophobicContact CB-CG1 4Å; A344-V383 HydrophobicContact CB-CB 4.46Å; A344-V383 HydrophobicContact CB-CG1 4.09Å; A344-V383 HydrophobicContact CB-CG2 3.54Å
345	Y	96.7	Very high	96.8	Very high	32 Å²	32	13.6 Å²	13.6	13%	0.125	6%	0.061	C	C	.	.	H	α-helix	trans	-52.9	-46.9	-168.5	174.9	-106.9	0	0	0	115.9	S341 M342 L348 S349 L451 F452 F460	S341-Y345 PolarHBondContact O-N 3.03Å; S341-Y345 VanDerWaalsContact O-N 3.13Å; M342-Y345 PolarHBondContact O-N 2.71Å; Y345-L348 PolarHBondContact O-N 2.98Å; Y345-S349 WeakPolarHBondContact CE2-OG 3.5Å; Y345-S349 VanDerWaalsContact CZ-OG 3.31Å; Y345-S349 WeakPolarHBondContact O-CB 3.35Å; Y345-S349 PolarHBondContact O-N 3.48Å; Y345-S349 PolarHBondContact O-OG 3.41Å; Y345-L451 HydrophobicContact CD2-CD2 3.77Å; Y345-L451 HydrophobicContact CG-CD2 4.31Å; Y345-F452 AromaticContact CD2-CE1 3.84Å; Y345-F452 HydrophobicContact CD2-CE1 3.84Å; Y345-F452 HydrophobicContact CD2-CZ 4.23Å; Y345-F452 AromaticContact CE2-CE1 3.64Å; Y345-F452 HydrophobicContact CE2-CE1 3.64Å; Y345-F452 AromaticContact CE2-CZ 3.56Å; Y345-F452 HydrophobicContact CE2-CZ 3.56Å; Y345-F460 HydrophobicContact CD1-CB 4.17Å; Y345-F460 HydrophobicContact CD1-CD1 4.17Å; Y345-F460 AromaticContact CD1-CD2 3.1Å; Y345-F460 HydrophobicContact CD1-CD2 3.1Å; Y345-F460 HydrophobicContact CD1-CE1 4.38Å; Y345-F460 AromaticContact CD1-CE2 3.35Å; Y345-F460 HydrophobicContact CD1-CE2 3.35Å; Y345-F460 AromaticContact CD1-CG 3.54Å; Y345-F460 HydrophobicContact CD1-CG 3.54Å; Y345-F460 HydrophobicContact CD1-CZ 4.01Å; Y345-F460 HydrophobicContact CD2-CD2 4.28Å; Y345-F460 HydrophobicContact CE1-CB 3.76Å; Y345-F460 AromaticContact CE1-CD1 3.96Å; Y345-F460 HydrophobicContact CE1-CD1 3.96Å; Y345-F460 AromaticContact CE1-CD2 3.58Å; Y345-F460 HydrophobicContact CE1-CD2 3.58Å; Y345-F460 HydrophobicContact CE1-CE1 4.49Å; Y345-F460 HydrophobicContact CE1-CE2 4.13Å; Y345-F460 AromaticContact CE1-CG 3.47Å; Y345-F460 HydrophobicContact CE1-CG 3.47Å; Y345-F460 VanDerWaalsContact CE1-CG 3.47Å; Y345-F460 HydrophobicContact CE2-CB 4.39Å; Y345-F460 AromaticContact CG-CD2 3.48Å; Y345-F460 HydrophobicContact CG-CD2 3.48Å; Y345-F460 VanDerWaalsContact CG-CD2 3.48Å; Y345-F460 AromaticContact CG-CE2 3.86Å; Y345-F460 HydrophobicContact CG-CE2 3.86Å; Y345-F460 HydrophobicContact CG-CG 4.21Å
346	P	96.6	Very high	96.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.7	-45.1	-173	-16.6	28	0	0	0	112.4	Y229 C231 C236 M342 L348 S349 Y350	Y229-P346 HydrophobicContact CD2-CG 3.57Å; Y229-P346 HydrophobicContact CG-CG 4.29Å; Y229-P346 WeakPolarHBondContact O-CB 3.46Å; Y229-P346 WeakPolarHBondContact O-CG 3.23Å; C231-P346 HydrophobicContact CB-CB 4.26Å; C231-P346 HydrophobicContact CB-CG 4.1Å; C236-P346 HydrophobicContact CB-CB 3.96Å; C236-P346 HydrophobicContact CB-CG 3.97Å; M342-P346 WeakPolarHBondContact O-CD 3.27Å; P346-L348 VanDerWaalsContact C-N 3.34Å; P346-L348 PolarHBondContact O-N 3.48Å; P346-S349 CarbonylContact O-C 3.6Å; P346-S349 WeakPolarHBondContact O-CB 3.31Å; P346-S349 PolarHBondContact O-N 2.89Å; P346-S349 VanDerWaalsContact O-N 3.13Å; P346-Y350 HydrophobicContact CB-CE2 4.03Å; P346-Y350 WeakPolarHBondContact O-CD2 3.45Å; P346-Y350 VanDerWaalsContact O-CG 3.3Å; P346-Y350 PolarHBondContact O-N 2.95Å
347	I	97.8	Very high	96.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-42.8	179.3	-71.9	172	0	0	0	110.7	V86 H230 A344 S349 Y350 L351 F370 T376 I380	V86-I347 HydrophobicContact CG1-CD1 4Å; V86-I347 HydrophobicContact CG2-CD1 4.27Å; V86-I347 HydrophobicContact CG2-CG2 3.63Å; H230-I347 HydrophobicContact CB-CD1 4.03Å; H230-I347 HydrophobicContact CB-CG1 4.11Å; A344-I347 PolarHBondContact O-N 2.81Å; I347-S349 VanDerWaalsContact C-N 3.28Å; I347-S349 PolarHBondContact O-N 3.16Å; I347-Y350 PolarHBondContact O-N 3.4Å; I347-L351 PolarHBondContact O-N 2.75Å; I347-F370 HydrophobicContact CD1-CB 4.25Å; I347-F370 HydrophobicContact CD1-CD1 4.34Å; I347-F370 HydrophobicContact CD1-CG 4.16Å; I347-F370 HydrophobicContact CG1-CD1 4.08Å; I347-F370 HydrophobicContact CG1-CD2 4.38Å; I347-F370 HydrophobicContact CG1-CE1 4.25Å; I347-F370 HydrophobicContact CG1-CG 4.16Å; I347-F370 HydrophobicContact CG1-CZ 4.48Å; I347-F370 HydrophobicContact CG2-CD2 4.34Å; I347-F370 HydrophobicContact CG2-CE2 4.38Å; I347-T376 HydrophobicContact CD1-CG2 3.81Å; I347-I380 HydrophobicContact CB-CD1 4.11Å; I347-I380 HydrophobicContact CD1-CD1 3.83Å; I347-I380 HydrophobicContact CG2-CD1 3.92Å
348	L	98	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-34.5	175.5	-61	-177.7	0	0	0	111.7	A344 Y345 P346 L351 R352 I380 V383 F400 F443 F446 V447 L451	A344-L348 HydrophobicContact CB-CD1 4.17Å; A344-L348 WeakPolarHBondContact O-CG 3.47Å; A344-L348 PolarHBondContact O-N 2.94Å; Y345-L348 PolarHBondContact O-N 2.98Å; P346-L348 VanDerWaalsContact C-N 3.34Å; P346-L348 PolarHBondContact O-N 3.48Å; L348-L351 PolarHBondContact O-N 2.78Å; L348-R352 WeakPolarHBondContact O-CB 3.27Å; L348-R352 PolarHBondContact O-N 2.89Å; L348-I380 HydrophobicContact CD2-CG2 4.3Å; L348-V383 HydrophobicContact CD1-CG2 4.09Å; L348-F400 HydrophobicContact CD2-CZ 4.05Å; L348-F443 HydrophobicContact CB-CE2 4.49Å; L348-F443 HydrophobicContact CB-CZ 4.44Å; L348-F443 HydrophobicContact CD2-CE2 4.15Å; L348-F443 WeakPolarHBondContact O-CZ 3.22Å; L348-F446 HydrophobicContact CD1-CE1 4.08Å; L348-V447 HydrophobicContact CB-CG1 4.5Å; L348-V447 HydrophobicContact CB-CG2 3.86Å; L348-L451 HydrophobicContact CD1-CD2 4.48Å
349	S	97.3	Very high	96.9	Very high	8 Å²	8	20.4 Å²	20.4	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-41.8	173.5	-64.4	0	0	0	0	112.2	Y345 P346 I347 L351 R352 D353	Y345-S349 WeakPolarHBondContact CE2-OG 3.5Å; Y345-S349 VanDerWaalsContact CZ-OG 3.31Å; Y345-S349 WeakPolarHBondContact O-CB 3.35Å; Y345-S349 PolarHBondContact O-N 3.48Å; Y345-S349 PolarHBondContact O-OG 3.41Å; P346-S349 CarbonylContact O-C 3.6Å; P346-S349 WeakPolarHBondContact O-CB 3.31Å; P346-S349 PolarHBondContact O-N 2.89Å; P346-S349 VanDerWaalsContact O-N 3.13Å; I347-S349 VanDerWaalsContact C-N 3.28Å; I347-S349 PolarHBondContact O-N 3.16Å; S349-L351 VanDerWaalsContact C-N 3.33Å; S349-L351 PolarHBondContact O-N 2.8Å; S349-R352 WeakPolarHBondContact O-CB 3.24Å; S349-R352 PolarHBondContact O-N 3.09Å; S349-D353 WeakPolarHBondContact O-CB 3.35Å; S349-D353 PolarHBondContact O-N 3.09Å
350	Y	97.6	Very high	96.9	Very high	21 Å²	21	27.8 Å²	27.8	8%	0.082	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-37.1	175.4	-61	-43.4	0	0	0	112.6	H230 I232 D233 C236 P346 I347 D353 S354 Q368 F370	H230-Y350 WeakPolarHBondContact O-CE2 3.34Å; I232-Y350 HydrophobicContact CG1-CE1 4.35Å; I232-Y350 HydrophobicContact CG1-CE2 4.46Å; I232-Y350 VanDerWaalsContact CG1-OH 3.25Å; I232-Y350 WeakPolarHBondContact CG1-OH 3.33Å; I232-Y350 PolarHBondContact N-OH 3.4Å; D233-Y350 VanDerWaalsContact OD2-CE1 3.26Å; D233-Y350 WeakPolarHBondContact OD2-CE1 3.4Å; C236-Y350 PolarHBondContact SG-OH 3.24Å; C236-Y350 VanDerWaalsContact SG-OH 3.38Å; P346-Y350 HydrophobicContact CB-CE2 4.03Å; P346-Y350 WeakPolarHBondContact O-CD2 3.45Å; P346-Y350 VanDerWaalsContact O-CG 3.3Å; P346-Y350 PolarHBondContact O-N 2.95Å; I347-Y350 PolarHBondContact O-N 3.4Å; Y350-D353 PolarHBondContact O-N 3.22Å; Y350-S354 PolarHBondContact O-N 3.09Å; Y350-S354 PolarHBondContact O-OG 3.4Å; Y350-Q368 PolarHBondContact O-OE1 3.01Å; Y350-F370 AromaticContact CD2-CE1 3.69Å; Y350-F370 HydrophobicContact CD2-CE1 3.69Å; Y350-F370 AromaticContact CD2-CZ 3.48Å; Y350-F370 HydrophobicContact CD2-CZ 3.48Å; Y350-F370 VanDerWaalsContact CD2-CZ 3.48Å; Y350-F370 HydrophobicContact CE2-CE1 4.07Å; Y350-F370 HydrophobicContact CE2-CZ 4.3Å; Y350-F370 HydrophobicContact CG-CZ 4.14Å
351	L	98.1	Very high	96.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-45	172.7	172.3	59.8	0	0	0	111.1	T84 I347 L348 S349 D353 S354 V355 F400 I402 F443	T84-L351 WeakPolarHBondContact OG1-CD1 3.38Å; I347-L351 PolarHBondContact O-N 2.75Å; L348-L351 PolarHBondContact O-N 2.78Å; S349-L351 VanDerWaalsContact C-N 3.33Å; S349-L351 PolarHBondContact O-N 2.8Å; L351-D353 VanDerWaalsContact C-N 3.27Å; L351-D353 PolarHBondContact O-N 2.99Å; L351-S354 WeakPolarHBondContact O-CB 3.15Å; L351-S354 PolarHBondContact O-N 2.74Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 3.06Å; L351-F400 HydrophobicContact CD1-CB 3.88Å; L351-F400 HydrophobicContact CD1-CG 4.48Å; L351-F400 HydrophobicContact CD2-CB 3.6Å; L351-F400 HydrophobicContact CD2-CD1 3.49Å; L351-F400 VanDerWaalsContact CD2-CD1 3.49Å; L351-F400 HydrophobicContact CD2-CD2 3.73Å; L351-F400 HydrophobicContact CD2-CE1 4.01Å; L351-F400 HydrophobicContact CD2-CE2 4.22Å; L351-F400 HydrophobicContact CD2-CG 3.32Å; L351-F400 HydrophobicContact CD2-CZ 4.34Å; L351-F400 HydrophobicContact CG-CB 4.42Å; L351-I402 HydrophobicContact CD1-CD1 3.84Å; L351-I402 HydrophobicContact CD1-CG1 4.09Å; L351-F443 HydrophobicContact CB-CE1 4.24Å; L351-F443 HydrophobicContact CB-CZ 3.9Å; L351-F443 HydrophobicContact CD2-CE1 3.93Å; L351-F443 HydrophobicContact CD2-CE2 3.83Å; L351-F443 HydrophobicContact CD2-CZ 3.41Å; L351-F443 VanDerWaalsContact CD2-CZ 3.41Å; L351-F443 HydrophobicContact CG-CE1 3.67Å; L351-F443 HydrophobicContact CG-CE2 4.44Å; L351-F443 HydrophobicContact CG-CZ 3.54Å
352	R	97.9	Very high	96.5	Very high	42 Å²	42	34.8 Å²	34.8	16%	0.158	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-42.1	173.8	-176.5	-158.5	65.1	-158.2	-6.3	111.3	L348 S349 S354 V355 N356 F443 E444 V447	L348-R352 WeakPolarHBondContact O-CB 3.27Å; L348-R352 PolarHBondContact O-N 2.89Å; S349-R352 WeakPolarHBondContact O-CB 3.24Å; S349-R352 PolarHBondContact O-N 3.09Å; R352-S354 VanDerWaalsContact C-N 3.32Å; R352-S354 PolarHBondContact O-N 3.07Å; R352-V355 WeakPolarHBondContact O-CB 3.05Å; R352-V355 PolarHBondContact O-N 3.28Å; R352-N356 PolarHBondContact O-N 2.74Å; R352-N356 PolarHBondContact O-ND2 2.75Å; R352-F443 HydrophobicContact CB-CE1 3.89Å; R352-F443 HydrophobicContact CB-CZ 4.47Å; R352-E444 HydrophobicContact CG-CG 4.05Å; R352-V447 HydrophobicContact CB-CG1 4.39Å
353	D	97.1	Very high	96.3	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-68.5	-33.2	178.4	-64.1	-9.4	0	0	0	111.6	S349 Y350 L351 N356 K357	S349-D353 WeakPolarHBondContact O-CB 3.35Å; S349-D353 PolarHBondContact O-N 3.09Å; Y350-D353 PolarHBondContact O-N 3.22Å; L351-D353 VanDerWaalsContact C-N 3.27Å; L351-D353 PolarHBondContact O-N 2.99Å; D353-N356 PolarHBondContact O-N 2.74Å; D353-K357 WeakPolarHBondContact O-CB 3.33Å; D353-K357 VanDerWaalsContact O-CG 3.22Å; D353-K357 WeakPolarHBondContact O-CG 3.28Å; D353-K357 PolarHBondContact O-N 3.29Å
354	S	97.3	Very high	96.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-43	170.6	-69.7	0	0	0	0	112.2	Y350 L351 R352 N356 K357 I358 Q368	Y350-S354 PolarHBondContact O-N 3.09Å; Y350-S354 PolarHBondContact O-OG 3.4Å; L351-S354 WeakPolarHBondContact O-CB 3.15Å; L351-S354 PolarHBondContact O-N 2.74Å; L351-S354 VanDerWaalsContact O-N 3.14Å; R352-S354 VanDerWaalsContact C-N 3.32Å; R352-S354 PolarHBondContact O-N 3.07Å; S354-N356 VanDerWaalsContact C-N 3.32Å; S354-N356 PolarHBondContact O-N 2.7Å; S354-K357 PolarHBondContact O-N 2.89Å; S354-I358 VanDerWaalsContact O-CG1 3.31Å; S354-I358 WeakPolarHBondContact O-CG1 3.38Å; S354-I358 PolarHBondContact O-N 2.87Å; S354-Q368 PolarHBondContact OG-NE2 3.33Å; S354-Q368 PolarHBondContact OG-OE1 3.17Å
355	V	98	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-46.9	172.4	172.5	0	0	0	0	110.6	L351 R352 K357 I358 R359 I402 L410 I412 A440	L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 3.06Å; R352-V355 WeakPolarHBondContact O-CB 3.05Å; R352-V355 PolarHBondContact O-N 3.28Å; V355-K357 PolarHBondContact O-N 2.75Å; V355-I358 PolarHBondContact O-N 3.43Å; V355-R359 PolarHBondContact O-N 2.74Å; V355-I402 HydrophobicContact CG2-CD1 3.98Å; V355-I402 HydrophobicContact CG2-CG1 4.4Å; V355-I402 HydrophobicContact CG2-CG2 4.38Å; V355-L410 HydrophobicContact CG1-CD1 3.86Å; V355-I412 HydrophobicContact CG2-CD1 3.96Å; V355-I412 HydrophobicContact CG2-CG1 4.49Å; V355-A440 HydrophobicContact CG1-CB 3.86Å
356	N	97.5	Very high	96	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	19%	0.19	S	C	.	.	H	α-helix	trans	-63.5	-41.8	177.8	-72.5	-38.1	0	0	0	112.8	R352 D353 S354 R359 K360 E444	R352-N356 PolarHBondContact O-N 2.74Å; R352-N356 PolarHBondContact O-ND2 2.75Å; D353-N356 PolarHBondContact O-N 2.74Å; S354-N356 VanDerWaalsContact C-N 3.32Å; S354-N356 PolarHBondContact O-N 2.7Å; N356-R359 PolarHBondContact O-N 2.63Å; N356-R359 PolarHBondContact OD1-NH1 2.74Å; N356-K360 PolarHBondContact O-N 2.74Å; N356-E444 PolarHBondContact OD1-OE1 2.94Å
357	K	96.8	Very high	96.1	Very high	83 Å²	83	40.9 Å²	40.9	36%	0.361	19%	0.19	S	C	.	.	H	α-helix	trans	-64	-40	176.6	-74.9	169.1	-177.2	172	0	111.8	D353 S354 V355 R359 K360 F361 Y366	D353-K357 WeakPolarHBondContact O-CB 3.33Å; D353-K357 VanDerWaalsContact O-CG 3.22Å; D353-K357 WeakPolarHBondContact O-CG 3.28Å; D353-K357 PolarHBondContact O-N 3.29Å; S354-K357 PolarHBondContact O-N 2.89Å; V355-K357 PolarHBondContact O-N 2.75Å; K357-R359 VanDerWaalsContact C-N 3.31Å; K357-R359 PolarHBondContact O-N 2.72Å; K357-K360 PolarHBondContact O-N 2.82Å; K357-F361 HydrophobicContact CB-CD2 4.33Å; K357-F361 WeakPolarHBondContact O-CB 3.38Å; K357-F361 WeakPolarHBondContact O-CD2 3.39Å; K357-F361 PolarHBondContact O-N 3.35Å; K357-Y366 HydrophobicContact CB-CD1 4.46Å; K357-Y366 HydrophobicContact CB-CE1 3.82Å; K357-Y366 HydrophobicContact CB-CE2 3.98Å; K357-Y366 HydrophobicContact CD-CD1 4.33Å; K357-Y366 HydrophobicContact CD-CE1 3.86Å; K357-Y366 HydrophobicContact CG-CE1 4.37Å
358	I	95.8	Very high	96.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-41.9	176	-74.3	165.5	0	0	0	111.5	R81 S354 V355 F361 Y366 I402 L410	R81-I358 HydrophobicContact CB-CD1 3.81Å; R81-I358 HydrophobicContact CB-CG1 4.21Å; R81-I358 HydrophobicContact CB-CG2 3.86Å; R81-I358 HydrophobicContact CG-CG2 4.12Å; S354-I358 VanDerWaalsContact O-CG1 3.31Å; S354-I358 WeakPolarHBondContact O-CG1 3.38Å; S354-I358 PolarHBondContact O-N 2.87Å; V355-I358 PolarHBondContact O-N 3.43Å; I358-F361 CarbonylContact O-C 3.55Å; I358-Y366 HydrophobicContact CD1-CD2 4.19Å; I358-Y366 HydrophobicContact CG1-CD2 3.4Å; I358-Y366 HydrophobicContact CG1-CE2 3.81Å; I358-Y366 HydrophobicContact CG1-CG 4.42Å; I358-I402 HydrophobicContact CD1-CB 3.9Å; I358-I402 HydrophobicContact CD1-CD1 3.59Å; I358-I402 HydrophobicContact CD1-CG1 4.37Å; I358-I402 HydrophobicContact CD1-CG2 3.66Å; I358-L410 HydrophobicContact CB-CD1 4.23Å; I358-L410 HydrophobicContact CG2-CD1 3.8Å; I358-L410 HydrophobicContact CG2-CD2 3.86Å
359	R	95.1	Very high	96.2	Very high	110 Å²	110	41.4 Å²	41.4	42%	0.415	19%	0.192	S	C	.	.	H	α-helix	trans	-66.2	-41.1	175.2	-64.4	-176.6	-175	126.9	-4.9	112.3	V355 N356 K357 L410 E444	V355-R359 PolarHBondContact O-N 2.74Å; N356-R359 PolarHBondContact O-N 2.63Å; N356-R359 PolarHBondContact OD1-NH1 2.74Å; K357-R359 VanDerWaalsContact C-N 3.31Å; K357-R359 PolarHBondContact O-N 2.72Å; R359-L410 HydrophobicContact CG-CD1 3.58Å; R359-L410 HydrophobicContact CG-CG 4.44Å; R359-E444 IonicContact CZ-OE1 2.84Å; R359-E444 IonicContact CZ-OE2 2.86Å; R359-E444 VanDerWaalsContact CZ-OE2 3.31Å; R359-E444 IonicContact NH1-OE1 3.22Å; R359-E444 PolarHBondContact NH1-OE1 2.63Å; R359-E444 IonicContact NH1-OE2 2.82Å; R359-E444 PolarHBondContact NH1-OE2 2.61Å; R359-E444 IonicContact NH2-OE1 3.13Å; R359-E444 IonicContact NH2-OE2 3.61Å; R359-E444 PolarHBondContact NH2-OE2 2.85Å
360	K	96.1	Very high	96.2	Very high	156 Å²	156	41.2 Å²	41.2	68%	0.678	19%	0.19	S	C	*	.	H	α-helix	trans	-73.9	-31.4	-178.9	-173.5	172.4	179.4	175.7	0	113.1	N356 K357 P362	N356-K360 PolarHBondContact O-N 2.74Å; K357-K360 PolarHBondContact O-N 2.82Å; K360-P362 WeakPolarHBondContact O-CD 3.5Å
361	F	94.4	Very high	96.3	Very high	91 Å²	91	40.2 Å²	40.2	40%	0.399	19%	0.187	S	C	.	.			trans	-125.8	80.4	-174.3	-56.5	-69.8	0	0	0	110	R81 K357 I358 H363 S364 Y366	R81-F361 PolarHBondContact NH2-O 2.92Å; K357-F361 HydrophobicContact CB-CD2 4.33Å; K357-F361 WeakPolarHBondContact O-CB 3.38Å; K357-F361 WeakPolarHBondContact O-CD2 3.39Å; K357-F361 PolarHBondContact O-N 3.35Å; I358-F361 CarbonylContact O-C 3.55Å; F361-H363 PolarHBondContact O-N 2.97Å; F361-H363 VanDerWaalsContact O-N 3.14Å; F361-S364 PolarHBondContact O-N 3.26Å; F361-S364 VanDerWaalsContact O-N 3.08Å; F361-Y366 WeakPolarHBondContact CB-OH 3.49Å; F361-Y366 VanDerWaalsContact CD2-OH 3.29Å; F361-Y366 WeakPolarHBondContact CD2-OH 3.37Å
362	P	89.4	Confident	96.3	Very high	64 Å²	64	40.2 Å²	40.2	42%	0.416	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.7	-173.4	24.9	-34.7	0	0	0	114.3	R81 K360	R81-P362 PolarHBondContact NH2-O 3.28Å; K360-P362 WeakPolarHBondContact O-CD 3.5Å
363	H	90.7	Very high	96.3	Very high	134 Å²	134	38.3 Å²	38.3	62%	0.62	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	24.7	176.5	-53.7	-68.3	0	0	0	112.7	R185 F361	R185-H363 PolarHBondContact N-O 3.05Å; F361-H363 PolarHBondContact O-N 2.97Å; F361-H363 VanDerWaalsContact O-N 3.14Å
364	S	93.1	Very high	96.3	Very high	14 Å²	14	37.2 Å²	37.2	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143	176	-62.8	0	0	0	0	111.9	R81 R185 F361	R81-S364 PolarHBondContact NH2-O 3.26Å; R185-S364 CarbonylContact O-C 3.52Å; R185-S364 WeakPolarHBondContact O-CA 3.42Å; F361-S364 PolarHBondContact O-N 3.26Å; F361-S364 VanDerWaalsContact O-N 3.08Å
365	N	95.3	Very high	96.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.3	169.4	-75.2	-18.8	0	0	0	109.7	R81 K177 L178 Q184 R185 V187	R81-N365 WeakPolarHBondContact CA-OD1 3.1Å; R81-N365 PolarHBondContact NE-OD1 3.4Å; R81-N365 WeakPolarHBondContact O-CA 2.92Å; R81-N365 PolarHBondContact O-OD1 3.08Å; K177-N365 PolarHBondContact O-ND2 2.97Å; L178-N365 HydrophobicContact CD1-CB 4.14Å; L178-N365 PolarHBondContact O-ND2 2.83Å; Q184-N365 VanDerWaalsContact CD-CG 3.5Å; Q184-N365 HydrophobicContact CG-CB 4.42Å; Q184-N365 PolarHBondContact NE2-OD1 3.29Å; R185-N365 PolarHBondContact O-N 2.99Å; V187-N365 PolarHBondContact N-O 3.14Å
366	Y	97.1	Very high	96.2	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.1	-171.9	-66.1	-91.1	0	0	0	111.7	R81 G82 I83 V187 K357 I358 F361	R81-Y366 PolarHBondContact O-N 3.04Å; G82-Y366 CarbonylContact C-O 3.54Å; G82-Y366 WeakPolarHBondContact CA-O 3.43Å; I83-Y366 PolarHBondContact N-O 3.3Å; V187-Y366 HydrophobicContact CB-CD1 3.83Å; V187-Y366 HydrophobicContact CB-CE1 3.89Å; V187-Y366 HydrophobicContact CG1-CD1 4.18Å; V187-Y366 HydrophobicContact CG1-CE1 4.2Å; V187-Y366 HydrophobicContact CG2-CD1 4.43Å; V187-Y366 HydrophobicContact CG2-CE1 4.02Å; V187-Y366 CarbonylContact O-C 3.58Å; V187-Y366 WeakPolarHBondContact O-CA 3.43Å; K357-Y366 HydrophobicContact CB-CD1 4.46Å; K357-Y366 HydrophobicContact CB-CE1 3.82Å; K357-Y366 HydrophobicContact CB-CE2 3.98Å; K357-Y366 HydrophobicContact CD-CD1 4.33Å; K357-Y366 HydrophobicContact CD-CE1 3.86Å; K357-Y366 HydrophobicContact CG-CE1 4.37Å; I358-Y366 HydrophobicContact CD1-CD2 4.19Å; I358-Y366 HydrophobicContact CG1-CD2 3.4Å; I358-Y366 HydrophobicContact CG1-CE2 3.81Å; I358-Y366 HydrophobicContact CG1-CG 4.42Å; F361-Y366 WeakPolarHBondContact CB-OH 3.49Å; F361-Y366 VanDerWaalsContact CD2-OH 3.29Å; F361-Y366 WeakPolarHBondContact CD2-OH 3.37Å
367	I	98.1	Very high	96.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.5	175.8	-58.7	177.7	0	0	0	107.6	I83 L178 F179 I186 V187 A188 D189 F209 L210 I369	I83-I367 HydrophobicContact CD1-CG2 4.15Å; I83-I367 HydrophobicContact CG1-CB 4.31Å; I83-I367 HydrophobicContact CG1-CG1 4.11Å; I83-I367 HydrophobicContact CG1-CG2 3.98Å; I83-I367 CarbonylContact O-C 3.58Å; I83-I367 WeakPolarHBondContact O-CA 3.45Å; L178-I367 HydrophobicContact CD1-CG1 4.46Å; L178-I367 HydrophobicContact CD2-CD1 4.14Å; L178-I367 HydrophobicContact CD2-CG1 4.31Å; L178-I367 HydrophobicContact CG-CD1 4.43Å; F179-I367 HydrophobicContact CE1-CD1 3.7Å; F179-I367 HydrophobicContact CZ-CD1 3.69Å; I186-I367 HydrophobicContact CG2-CD1 3.8Å; I186-I367 HydrophobicContact CG2-CG1 4.19Å; V187-I367 PolarHBondContact O-N 3.29Å; A188-I367 CarbonylContact C-O 3.5Å; A188-I367 VanDerWaalsContact CA-O 3.29Å; A188-I367 WeakPolarHBondContact CA-O 3.27Å; A188-I367 HydrophobicContact CB-CB 4.2Å; D189-I367 PolarHBondContact N-O 2.77Å; F209-I367 HydrophobicContact CE1-CG2 4.16Å; L210-I367 HydrophobicContact CD2-CD1 4.37Å; L210-I367 HydrophobicContact CD2-CG2 4.25Å; I367-I369 HydrophobicContact CG2-CD1 4.09Å; I367-I369 HydrophobicContact CG2-CG1 4.24Å
368	Q	98.3	Very high	96.3	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.4	174.8	-65	-179.7	-54.7	0	0	109.6	I83 T84 V85 D189 Y350 S354 F370	I83-Q368 PolarHBondContact O-N 3.39Å; T84-Q368 CarbonylContact C-O 3.53Å; T84-Q368 WeakPolarHBondContact CA-O 3.19Å; T84-Q368 HydrophobicContact CG2-CB 4.08Å; T84-Q368 PolarHBondContact OG1-OE1 2.88Å; V85-Q368 PolarHBondContact N-O 3.21Å; D189-Q368 HydrophobicContact CB-CG 4.5Å; D189-Q368 CarbonylContact O-C 3.58Å; D189-Q368 WeakPolarHBondContact O-CA 3.43Å; Y350-Q368 PolarHBondContact O-OE1 3.01Å; S354-Q368 PolarHBondContact OG-NE2 3.33Å; S354-Q368 PolarHBondContact OG-OE1 3.17Å; Q368-F370 HydrophobicContact CB-CE2 3.94Å
369	I	98.8	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125	-179.8	-63.5	157.7	0	0	0	109.1	V85 F87 D189 V190 V191 F205 F209 L210 I367	V85-I369 HydrophobicContact CB-CG1 4.35Å; V85-I369 HydrophobicContact CG2-CG1 4.46Å; V85-I369 CarbonylContact O-C 3.37Å; V85-I369 WeakPolarHBondContact O-CA 3.36Å; F87-I369 HydrophobicContact CD1-CG2 4.47Å; F87-I369 HydrophobicContact CE1-CG2 3.54Å; F87-I369 HydrophobicContact CZ-CG2 4.03Å; D189-I369 PolarHBondContact O-N 3.27Å; V190-I369 CarbonylContact C-O 3.52Å; V190-I369 WeakPolarHBondContact CA-O 3.33Å; V190-I369 HydrophobicContact CG1-CB 4.34Å; V190-I369 HydrophobicContact CG1-CG2 4.3Å; V190-I369 HydrophobicContact CG2-CB 4.23Å; V190-I369 HydrophobicContact CG2-CD1 4.05Å; V191-I369 PolarHBondContact N-O 2.96Å; F205-I369 HydrophobicContact CD1-CD1 4.17Å; F205-I369 HydrophobicContact CD1-CG2 4.12Å; F205-I369 HydrophobicContact CE1-CD1 3.67Å; F205-I369 HydrophobicContact CE1-CG1 4.01Å; F205-I369 HydrophobicContact CE1-CG2 4.16Å; F209-I369 HydrophobicContact CD1-CD1 4.12Å; F209-I369 HydrophobicContact CE1-CD1 4.38Å; L210-I369 HydrophobicContact CD1-CD1 3.5Å; L210-I369 VanDerWaalsContact CD1-CD1 3.5Å; L210-I369 HydrophobicContact CD2-CD1 4.26Å; L210-I369 HydrophobicContact CG-CD1 4.08Å; I367-I369 HydrophobicContact CG2-CD1 4.09Å; I367-I369 HydrophobicContact CG2-CG1 4.24Å
370	F	98.8	Very high	96.5	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.2	177.5	-61.6	-85	0	0	0	109.6	T84 V85 V86 F87 V191 H230 I347 Y350 Q368	T84-F370 HydrophobicContact CG2-CD2 4.03Å; T84-F370 HydrophobicContact CG2-CE2 3.74Å; V85-F370 PolarHBondContact O-N 2.95Å; V86-F370 WeakPolarHBondContact CA-O 3.39Å; V86-F370 HydrophobicContact CB-CB 4.46Å; V86-F370 HydrophobicContact CG1-CB 4.23Å; V86-F370 HydrophobicContact CG2-CB 4.28Å; V86-F370 HydrophobicContact CG2-CD2 4.11Å; F87-F370 PolarHBondContact N-O 3.28Å; V191-F370 HydrophobicContact CB-CD1 3.71Å; V191-F370 HydrophobicContact CB-CE1 3.94Å; V191-F370 HydrophobicContact CG1-CD1 4.12Å; V191-F370 HydrophobicContact CG1-CE1 4.34Å; V191-F370 HydrophobicContact CG2-CD1 4.14Å; V191-F370 HydrophobicContact CG2-CE1 3.84Å; V191-F370 WeakPolarHBondContact O-CA 3.36Å; H230-F370 HydrophobicContact CB-CD1 3.84Å; H230-F370 HydrophobicContact CB-CE1 4.37Å; I347-F370 HydrophobicContact CD1-CB 4.25Å; I347-F370 HydrophobicContact CD1-CD1 4.34Å; I347-F370 HydrophobicContact CD1-CG 4.16Å; I347-F370 HydrophobicContact CG1-CD1 4.08Å; I347-F370 HydrophobicContact CG1-CD2 4.38Å; I347-F370 HydrophobicContact CG1-CE1 4.25Å; I347-F370 HydrophobicContact CG1-CG 4.16Å; I347-F370 HydrophobicContact CG1-CZ 4.48Å; I347-F370 HydrophobicContact CG2-CD2 4.34Å; I347-F370 HydrophobicContact CG2-CE2 4.38Å; Y350-F370 AromaticContact CD2-CE1 3.69Å; Y350-F370 HydrophobicContact CD2-CE1 3.69Å; Y350-F370 AromaticContact CD2-CZ 3.48Å; Y350-F370 HydrophobicContact CD2-CZ 3.48Å; Y350-F370 VanDerWaalsContact CD2-CZ 3.48Å; Y350-F370 HydrophobicContact CE2-CE1 4.07Å; Y350-F370 HydrophobicContact CE2-CZ 4.3Å; Y350-F370 HydrophobicContact CG-CZ 4.14Å; Q368-F370 HydrophobicContact CB-CE2 3.94Å
371	S	98.7	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.1	175.7	-179.6	0	0	0	0	110.5	F87 V191 S193 T198 H230	F87-S371 VanDerWaalsContact CE2-CB 3.42Å; F87-S371 VanDerWaalsContact CE2-OG 3.24Å; F87-S371 WeakPolarHBondContact CE2-OG 3.48Å; V191-S371 PolarHBondContact O-N 2.86Å; S193-S371 PolarHBondContact N-O 2.92Å; T198-S371 WeakPolarHBondContact CA-OG 3.47Å; T198-S371 WeakPolarHBondContact O-CB 3.29Å; T198-S371 PolarHBondContact O-OG 3.45Å; H230-S371 PolarHBondContact CE1-O 3.5Å
372	G	98	Very high	96.8	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	-137.1	-148	-169.2	0	0	0	0	0	114	F87 H89 T198 H230	F87-G372 CarbonylContact O-C 3.53Å; F87-G372 PolarHBondContact O-N 3.35Å; H89-G372 PolarHBondContact N-O 2.92Å; T198-G372 VanDerWaalsContact CG2-O 3.23Å; T198-G372 WeakPolarHBondContact CG2-O 3.29Å; H230-G372 WeakPolarHBondContact NE2-CA 3.42Å
373	H	97.9	Very high	97.2	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.064	C	C	.	.			trans	-122	174.7	-170.1	-58.3	-79.7	0	0	0	111.8	H89 S193 Y195 T198 F227 V375 T376 V377	H89-H373 AromaticContact CD2-ND1 3.55Å; H89-H373 AromaticContact NE2-ND1 3.79Å; S193-H373 PolarHBondContact OG-NE2 3.31Å; Y195-H373 AromaticContact CD2-CE1 3.81Å; Y195-H373 AromaticContact CD2-NE2 3.61Å; T198-H373 VanDerWaalsContact CG2-CE1 3.48Å; T198-H373 WeakPolarHBondContact CG2-CE1 3.42Å; F227-H373 AromaticContact CD2-CD2 3.48Å; F227-H373 VanDerWaalsContact CD2-CD2 3.48Å; F227-H373 WeakPolarHBondContact CD2-CD2 3.46Å; F227-H373 AromaticContact CD2-NE2 3.38Å; F227-H373 WeakPolarHBondContact CD2-NE2 3.31Å; F227-H373 AromaticContact CE2-CD2 3.33Å; F227-H373 WeakPolarHBondContact CE2-CD2 3.36Å; F227-H373 AromaticContact CE2-CE1 3.61Å; F227-H373 AromaticContact CE2-CG 3.62Å; F227-H373 AromaticContact CE2-ND1 3.79Å; F227-H373 AromaticContact CE2-NE2 3.33Å; F227-H373 VanDerWaalsContact CE2-NE2 3.33Å; F227-H373 WeakPolarHBondContact CE2-NE2 3.45Å; F227-H373 PolarHBondContact O-CD2 3.07Å; H373-V375 HydrophobicContact CB-CG2 3.6Å; H373-V375 PolarHBondContact O-N 3.5Å; H373-T376 PolarHBondContact N-OG1 2.83Å; H373-T376 VanDerWaalsContact N-OG1 3.12Å; H373-T376 VanDerWaalsContact O-CB 3.31Å; H373-T376 WeakPolarHBondContact O-CB 3.33Å; H373-T376 PolarHBondContact O-N 3.36Å; H373-V377 PolarHBondContact O-N 3.46Å
374	D	96.4	Very high	97.5	Very high	30 Å²	30	6.2 Å²	6.2	16%	0.16	3%	0.034	C	C	.	.	H	α-helix	trans	-53	-45	161.8	31.8	33.8	0	0	0	110.7	R88 T376 V377 G378 P391	R88-D374 IonicContact CZ-OD2 3.62Å; R88-D374 VanDerWaalsContact CZ-OD2 3.24Å; R88-D374 IonicContact NE-OD2 2.79Å; R88-D374 PolarHBondContact NE-OD2 3.14Å; R88-D374 VanDerWaalsContact NE-OD2 3.14Å; R88-D374 IonicContact NH2-OD2 2.68Å; R88-D374 PolarHBondContact NH2-OD2 2.82Å; D374-T376 PolarHBondContact O-N 2.88Å; D374-T376 VanDerWaalsContact O-N 3.09Å; D374-V377 PolarHBondContact O-N 3.4Å; D374-G378 PolarHBondContact O-N 3.17Å; D374-P391 HydrophobicContact CB-CB 3.74Å
375	V	95.8	Very high	97.6	Very high	25 Å²	25	6.5 Å²	6.5	15%	0.152	4%	0.04	C	C	.	.	H	α-helix	trans	-68.9	0.1	174.4	-59.8	0	0	0	0	114.6	F227 H373 P379	F227-V375 HydrophobicContact CE1-CG2 3.83Å; F227-V375 HydrophobicContact CE2-CG2 4.33Å; F227-V375 HydrophobicContact CZ-CG2 3.7Å; H373-V375 HydrophobicContact CB-CG2 3.6Å; H373-V375 PolarHBondContact O-N 3.5Å; V375-P379 WeakPolarHBondContact O-CD 3.29Å; V375-P379 VanDerWaalsContact O-CG 3.3Å; V375-P379 WeakPolarHBondContact O-CG 3.27Å
376	T	97.6	Very high	97.7	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.018	4%	0.04	C	C	.	.	H	α-helix	trans	-99.4	-47.8	168	-56	0	0	0	0	110.7	V86 S228 H230 I347 H373 D374	V86-T376 HydrophobicContact CG1-CG2 3.84Å; S228-T376 WeakPolarHBondContact O-CA 3.21Å; S228-T376 WeakPolarHBondContact O-CB 3.17Å; S228-T376 PolarHBondContact O-OG1 2.86Å; H230-T376 WeakPolarHBondContact CD2-CG2 3.46Å; H230-T376 PolarHBondContact NE2-OG1 3.25Å; I347-T376 HydrophobicContact CD1-CG2 3.81Å; H373-T376 PolarHBondContact N-OG1 2.83Å; H373-T376 VanDerWaalsContact N-OG1 3.12Å; H373-T376 VanDerWaalsContact O-CB 3.31Å; H373-T376 WeakPolarHBondContact O-CB 3.33Å; H373-T376 PolarHBondContact O-N 3.36Å; D374-T376 PolarHBondContact O-N 2.88Å; D374-T376 VanDerWaalsContact O-N 3.09Å
377	V	98.5	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-70	-45.4	-177.3	171.2	0	0	0	0	111.1	V86 R88 H373 D374 I380 L381 P392 I398 Y416	V86-V377 HydrophobicContact CG1-CG2 4.41Å; R88-V377 HydrophobicContact CB-CG2 4.33Å; H373-V377 PolarHBondContact O-N 3.46Å; D374-V377 PolarHBondContact O-N 3.4Å; V377-I380 PolarHBondContact O-N 2.58Å; V377-L381 HydrophobicContact CG1-CD1 3.6Å; V377-L381 HydrophobicContact CG1-CG 4.21Å; V377-L381 WeakPolarHBondContact O-CG 3.43Å; V377-L381 PolarHBondContact O-N 3.27Å; V377-P392 HydrophobicContact CB-CB 4.46Å; V377-P392 HydrophobicContact CB-CG 4.17Å; V377-P392 HydrophobicContact CG1-CB 3.98Å; V377-P392 HydrophobicContact CG1-CG 3.85Å; V377-I398 HydrophobicContact CG1-CD1 4.1Å; V377-I398 HydrophobicContact CG1-CG1 4.11Å; V377-Y416 HydrophobicContact CG1-CE2 4.22Å
378	G	97.6	Very high	97.3	Very high	6 Å²	6	11.5 Å²	11.5	6%	0.062	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-52.4	-176.9	0	0	0	0	0	113.9	D374 I380 L381 R382	D374-G378 PolarHBondContact O-N 3.17Å; G378-I380 VanDerWaalsContact C-N 3.33Å; G378-I380 PolarHBondContact O-N 2.87Å; G378-L381 PolarHBondContact O-N 2.72Å; G378-R382 PolarHBondContact O-N 2.85Å
379	P	98	Very high	97.1	Very high	7 Å²	7	14.2 Å²	14.2	5%	0.045	9%	0.089	C	C	.	.	H	α-helix	trans	-56.3	-42.7	177.5	-29.9	37.4	0	0	0	113.7	Q340 E343 V375 R382 V383	Q340-P379 HydrophobicContact CB-CB 4.05Å; Q340-P379 HydrophobicContact CG-CB 4.34Å; Q340-P379 HydrophobicContact CG-CG 4.4Å; E343-P379 HydrophobicContact CB-CB 3.89Å; E343-P379 HydrophobicContact CB-CG 4.01Å; E343-P379 WeakPolarHBondContact OE2-CG 3.43Å; V375-P379 WeakPolarHBondContact O-CD 3.29Å; V375-P379 VanDerWaalsContact O-CG 3.3Å; V375-P379 WeakPolarHBondContact O-CG 3.27Å; P379-R382 PolarHBondContact O-N 2.96Å; P379-V383 WeakPolarHBondContact O-CG1 3.42Å; P379-V383 WeakPolarHBondContact O-CG2 3.22Å; P379-V383 PolarHBondContact O-N 3.38Å
380	I	98.4	Very high	96.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-47.3	177.5	-62.1	169.9	0	0	0	110.3	V86 A344 I347 L348 V377 G378 R382 V383 L384 I398 F400	V86-I380 HydrophobicContact CG1-CD1 4.08Å; V86-I380 HydrophobicContact CG2-CD1 4.3Å; A344-I380 HydrophobicContact CB-CG1 4Å; I347-I380 HydrophobicContact CB-CD1 4.11Å; I347-I380 HydrophobicContact CD1-CD1 3.83Å; I347-I380 HydrophobicContact CG2-CD1 3.92Å; L348-I380 HydrophobicContact CD2-CG2 4.3Å; V377-I380 PolarHBondContact O-N 2.58Å; G378-I380 VanDerWaalsContact C-N 3.33Å; G378-I380 PolarHBondContact O-N 2.87Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 PolarHBondContact O-N 2.79Å; I380-V383 VanDerWaalsContact O-CG2 3.28Å; I380-V383 WeakPolarHBondContact O-CG2 3.27Å; I380-V383 PolarHBondContact O-N 3.45Å; I380-L384 HydrophobicContact CG2-CD1 3.83Å; I380-L384 HydrophobicContact CG2-CG 4.32Å; I380-L384 WeakPolarHBondContact O-CB 3.3Å; I380-L384 WeakPolarHBondContact O-CG 3.4Å; I380-L384 PolarHBondContact O-N 2.97Å; I380-L384 VanDerWaalsContact O-N 3.08Å; I380-I398 HydrophobicContact CB-CD1 3.65Å; I380-I398 HydrophobicContact CD1-CD1 4.39Å; I380-I398 HydrophobicContact CG2-CD1 3.5Å; I380-I398 VanDerWaalsContact CG2-CD1 3.5Å; I380-F400 HydrophobicContact CG2-CZ 4.11Å
381	L	98.4	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-41.8	177.6	-67	170	0	0	0	111.7	V377 G378 L384 G385 I386 F388 P392 I398 Y416	V377-L381 HydrophobicContact CG1-CD1 3.6Å; V377-L381 HydrophobicContact CG1-CG 4.21Å; V377-L381 WeakPolarHBondContact O-CG 3.43Å; V377-L381 PolarHBondContact O-N 3.27Å; G378-L381 PolarHBondContact O-N 2.72Å; L381-L384 PolarHBondContact O-N 3.1Å; L381-G385 PolarHBondContact O-N 3.39Å; L381-I386 HydrophobicContact CB-CB 4.48Å; L381-I386 HydrophobicContact CD2-CB 3.88Å; L381-I386 HydrophobicContact CD2-CD1 4.15Å; L381-I386 HydrophobicContact CD2-CG2 3.82Å; L381-I386 PolarHBondContact O-N 3.33Å; L381-F388 HydrophobicContact CB-CD1 3.6Å; L381-F388 HydrophobicContact CB-CE1 3.87Å; L381-F388 HydrophobicContact CB-CG 4.2Å; L381-F388 HydrophobicContact CD1-CB 3.73Å; L381-F388 HydrophobicContact CD1-CD1 3.97Å; L381-F388 HydrophobicContact CD1-CD2 4.07Å; L381-F388 HydrophobicContact CD1-CG 3.66Å; L381-F388 HydrophobicContact CG-CD1 4.43Å; L381-P392 HydrophobicContact CD1-CG 4.49Å; L381-I398 HydrophobicContact CD2-CD1 3.85Å; L381-I398 HydrophobicContact CD2-CG1 3.98Å; L381-I398 HydrophobicContact CG-CD1 3.83Å; L381-I398 HydrophobicContact CG-CG1 4.32Å; L381-Y416 HydrophobicContact CD1-CD2 3.96Å; L381-Y416 HydrophobicContact CD1-CE1 4.13Å; L381-Y416 HydrophobicContact CD1-CE2 3.47Å; L381-Y416 VanDerWaalsContact CD1-CE2 3.47Å; L381-Y416 HydrophobicContact CD1-CG 4.49Å; L381-Y416 HydrophobicContact CD2-CD1 4.25Å; L381-Y416 HydrophobicContact CD2-CD2 3.7Å; L381-Y416 HydrophobicContact CD2-CE2 4.12Å; L381-Y416 HydrophobicContact CD2-CG 3.79Å; L381-Y416 HydrophobicContact CG-CD2 4.44Å; L381-Y416 HydrophobicContact CG-CE2 4.39Å
382	R	97.2	Very high	96.4	Very high	12 Å²	12	15.1 Å²	15.1	5%	0.045	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-47.3	-178.9	-161.2	82.3	68.4	-171.9	-2.3	112.4	G325 S326 F329 G378 P379 I380 L384 G385 F388 D390	G325-R382 PolarHBondContact O-NH2 3.15Å; S326-R382 VanDerWaalsContact N-NH1 3.12Å; S326-R382 PolarHBondContact OG-NH1 2.94Å; F329-R382 HydrophobicContact CB-CG 3.68Å; F329-R382 HydrophobicContact CD1-CG 3.49Å; F329-R382 VanDerWaalsContact CD1-CG 3.49Å; F329-R382 HydrophobicContact CD2-CB 4.38Å; F329-R382 HydrophobicContact CD2-CG 3.47Å; F329-R382 VanDerWaalsContact CD2-CG 3.47Å; F329-R382 HydrophobicContact CE1-CG 3.88Å; F329-R382 HydrophobicContact CE2-CB 4.42Å; F329-R382 HydrophobicContact CE2-CG 3.85Å; F329-R382 HydrophobicContact CG-CG 3.25Å; F329-R382 HydrophobicContact CZ-CG 4.05Å; G378-R382 PolarHBondContact O-N 2.85Å; P379-R382 PolarHBondContact O-N 2.96Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 PolarHBondContact O-N 2.79Å; R382-L384 VanDerWaalsContact C-N 3.29Å; R382-L384 PolarHBondContact O-N 3.47Å; R382-G385 PolarHBondContact O-N 2.86Å; R382-F388 HydrophobicContact CB-CE1 4.44Å; R382-D390 IonicContact NH2-OD2 3.36Å; R382-D390 PolarHBondContact NH2-OD2 2.98Å
383	V	97.8	Very high	96.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.5	-31.7	179.5	-58.3	0	0	0	0	112.2	F329 A344 L348 P379 I380 G385 L451	F329-V383 HydrophobicContact CE2-CG1 4.17Å; F329-V383 HydrophobicContact CZ-CG1 4.12Å; A344-V383 HydrophobicContact CB-CB 4.46Å; A344-V383 HydrophobicContact CB-CG1 4.09Å; A344-V383 HydrophobicContact CB-CG2 3.54Å; L348-V383 HydrophobicContact CD1-CG2 4.09Å; P379-V383 WeakPolarHBondContact O-CG1 3.42Å; P379-V383 WeakPolarHBondContact O-CG2 3.22Å; P379-V383 PolarHBondContact O-N 3.38Å; I380-V383 VanDerWaalsContact O-CG2 3.28Å; I380-V383 WeakPolarHBondContact O-CG2 3.27Å; I380-V383 PolarHBondContact O-N 3.45Å; V383-G385 VanDerWaalsContact C-N 3.26Å; V383-G385 PolarHBondContact O-N 3.32Å; V383-L451 HydrophobicContact CB-CD1 3.87Å; V383-L451 HydrophobicContact CG1-CD1 3.91Å; V383-L451 HydrophobicContact CG2-CD1 4.14Å
384	L	97.5	Very high	96.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-75	-16.8	172.7	-64.1	-179.5	0	0	0	112.6	I380 L381 R382 I386 F400 T414 I425 R426 F427 F446	I380-L384 HydrophobicContact CG2-CD1 3.83Å; I380-L384 HydrophobicContact CG2-CG 4.32Å; I380-L384 WeakPolarHBondContact O-CB 3.3Å; I380-L384 WeakPolarHBondContact O-CG 3.4Å; I380-L384 PolarHBondContact O-N 2.97Å; I380-L384 VanDerWaalsContact O-N 3.08Å; L381-L384 PolarHBondContact O-N 3.1Å; R382-L384 VanDerWaalsContact C-N 3.29Å; R382-L384 PolarHBondContact O-N 3.47Å; L384-I386 HydrophobicContact CB-CD1 4.02Å; L384-I386 HydrophobicContact CB-CG1 4.04Å; L384-I386 HydrophobicContact CD1-CD1 4Å; L384-F400 HydrophobicContact CD1-CE1 3.89Å; L384-F400 HydrophobicContact CD1-CZ 3.85Å; L384-T414 HydrophobicContact CD1-CG2 4.32Å; L384-I425 HydrophobicContact CD2-CG2 4.33Å; L384-I425 CarbonylContact O-C 3.59Å; L384-I425 WeakPolarHBondContact O-CA 2.88Å; L384-R426 PolarHBondContact O-N 3.42Å; L384-F427 HydrophobicContact CD2-CE1 3.58Å; L384-F427 HydrophobicContact CD2-CZ 4.33Å; L384-F446 HydrophobicContact CD2-CE1 4.32Å
385	G	96.3	Very high	96.4	Very high	20 Å²	20	16 Å²	16	21%	0.206	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	26.7	-174.8	0	0	0	0	0	114.5	L381 R382 V383 P387	L381-G385 PolarHBondContact O-N 3.39Å; R382-G385 PolarHBondContact O-N 2.86Å; V383-G385 VanDerWaalsContact C-N 3.26Å; V383-G385 PolarHBondContact O-N 3.32Å; G385-P387 WeakPolarHBondContact O-CD 3.48Å
386	I	96.4	Very high	96.5	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.015	9%	0.091	C	C	.	.			trans	-85.4	120.5	175.7	-62.1	172.1	0	0	0	108	L381 L384 F388 T414 Y416 K421	L381-I386 HydrophobicContact CB-CB 4.48Å; L381-I386 HydrophobicContact CD2-CB 3.88Å; L381-I386 HydrophobicContact CD2-CD1 4.15Å; L381-I386 HydrophobicContact CD2-CG2 3.82Å; L381-I386 PolarHBondContact O-N 3.33Å; L384-I386 HydrophobicContact CB-CD1 4.02Å; L384-I386 HydrophobicContact CB-CG1 4.04Å; L384-I386 HydrophobicContact CD1-CD1 4Å; I386-F388 WeakPolarHBondContact O-CD1 3.24Å; I386-T414 HydrophobicContact CD1-CG2 4.08Å; I386-Y416 HydrophobicContact CG2-CD1 4.2Å; I386-Y416 HydrophobicContact CG2-CG 4.49Å; I386-K421 HydrophobicContact CD1-CB 3.81Å; I386-K421 HydrophobicContact CD1-CG 4.48Å; I386-K421 HydrophobicContact CG1-CB 4.13Å; I386-K421 HydrophobicContact CG2-CB 4.23Å; I386-K421 HydrophobicContact CG2-CD 4.3Å; I386-K421 HydrophobicContact CG2-CG 3.9Å
387	P	93	Very high	96.6	Very high	99 Å²	99	15.3 Å²	15.3	64%	0.643	9%	0.093	S	C	*	.			trans	-64.2	140.4	176.3	-21.9	33.8	0	0	0	111.9	G385	G385-P387 WeakPolarHBondContact O-CD 3.48Å
388	F	94.5	Very high	96.6	Very high	19 Å²	19	15.3 Å²	15.3	8%	0.083	9%	0.093	C	C	.	.			trans	-153.8	162.3	179.5	71	-78.8	0	0	0	111	T322 L381 R382 I386 D390 P392 Y416	T322-F388 VanDerWaalsContact CG2-O 3.23Å; T322-F388 WeakPolarHBondContact CG2-O 3.42Å; L381-F388 HydrophobicContact CB-CD1 3.6Å; L381-F388 HydrophobicContact CB-CE1 3.87Å; L381-F388 HydrophobicContact CB-CG 4.2Å; L381-F388 HydrophobicContact CD1-CB 3.73Å; L381-F388 HydrophobicContact CD1-CD1 3.97Å; L381-F388 HydrophobicContact CD1-CD2 4.07Å; L381-F388 HydrophobicContact CD1-CG 3.66Å; L381-F388 HydrophobicContact CG-CD1 4.43Å; R382-F388 HydrophobicContact CB-CE1 4.44Å; I386-F388 WeakPolarHBondContact O-CD1 3.24Å; F388-D390 HydrophobicContact CE2-CB 3.84Å; F388-D390 HydrophobicContact CZ-CB 4.43Å; F388-P392 HydrophobicContact CD2-CG 3.73Å; F388-P392 HydrophobicContact CE2-CG 3.89Å; F388-Y416 HydrophobicContact CB-CE1 3.83Å
389	V	93.4	Very high	96.6	Very high	69 Å²	69	15 Å²	15	42%	0.418	9%	0.09	S	C	.	.	P	Polyproline II helix	trans	-82.2	127.4	169.8	175.4	0	0	0	0	108.7	I318 P391 P392	I318-V389 HydrophobicContact CG2-CG1 3.3Å; V389-P391 CarbonylContact O-C 3.56Å; V389-P392 WeakPolarHBondContact O-CA 3.28Å
390	D	91.8	Very high	96.7	Very high	16 Å²	16	14.8 Å²	14.8	9%	0.086	9%	0.088	C	C	.	.	S	Bend	trans	-101	116.6	-179.6	-155.4	-16.4	0	0	0	110.1	T321 T322 R382 F388	T321-D390 HydrophobicContact CG2-CB 4.47Å; T321-D390 WeakPolarHBondContact CG2-O 3.42Å; T322-D390 PolarHBondContact OG1-N 3.01Å; R382-D390 IonicContact NH2-OD2 3.36Å; R382-D390 PolarHBondContact NH2-OD2 2.98Å; F388-D390 HydrophobicContact CE2-CB 3.84Å; F388-D390 HydrophobicContact CZ-CB 4.43Å
391	P	94.3	Very high	96.7	Very high	7 Å²	7	14.8 Å²	14.8	5%	0.045	9%	0.088	C	C	.	.	S	Bend	cis	-82	151.9	4.9	31.1	-27.3	0	0	0	112.4	M52 F284 D374 V389 H393	M52-P391 HydrophobicContact CE-CG 3.86Å; M52-P391 WeakPolarHBondContact CE-O 3.47Å; F284-P391 HydrophobicContact CD1-CB 4.29Å; F284-P391 HydrophobicContact CD1-CG 3.88Å; F284-P391 HydrophobicContact CE1-CB 3.88Å; F284-P391 HydrophobicContact CE1-CG 3.85Å; D374-P391 HydrophobicContact CB-CB 3.74Å; V389-P391 CarbonylContact O-C 3.56Å; P391-H393 PolarHBondContact O-N 3.47Å
392	P	96.2	Very high	96.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-54.1	138.8	173.9	-25.7	33.1	0	0	0	111.4	R88 V377 L381 F388 V389 S396	R88-P392 WeakPolarHBondContact CD-O 3.45Å; R88-P392 VanDerWaalsContact CZ-O 3.27Å; R88-P392 PolarHBondContact NE-O 2.81Å; R88-P392 PolarHBondContact NH1-O 3.49Å; V377-P392 HydrophobicContact CB-CB 4.46Å; V377-P392 HydrophobicContact CB-CG 4.17Å; V377-P392 HydrophobicContact CG1-CB 3.98Å; V377-P392 HydrophobicContact CG1-CG 3.85Å; L381-P392 HydrophobicContact CD1-CG 4.49Å; F388-P392 HydrophobicContact CD2-CG 3.73Å; F388-P392 HydrophobicContact CE2-CG 3.89Å; V389-P392 WeakPolarHBondContact O-CA 3.28Å; P392-S396 WeakPolarHBondContact CB-OG 3.21Å
393	H	95.5	Very high	96.5	Very high	37 Å²	37	14.6 Å²	14.6	17%	0.171	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-58.2	162	-179.3	59.8	76.8	0	0	0	113.8	M52 Q54 R88 P391 S396 N417	M52-H393 HydrophobicContact CB-CB 4.28Å; Q54-H393 HydrophobicContact CG-CB 4.48Å; Q54-H393 WeakPolarHBondContact CG-ND1 3.47Å; R88-H393 WeakPolarHBondContact CD-O 3.36Å; R88-H393 VanDerWaalsContact NH1-C 3.28Å; P391-H393 PolarHBondContact O-N 3.47Å; H393-S396 WeakPolarHBondContact O-CB 3.45Å; H393-S396 PolarHBondContact O-N 2.98Å; H393-S396 VanDerWaalsContact O-N 3.1Å; H393-S396 PolarHBondContact O-OG 3.33Å; H393-N417 PolarHBondContact CE1-ND2 3.47Å; H393-N417 PolarHBondContact NE2-ND2 3.2Å
394	Y	98.1	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	146.9	175.7	-71	-51.6	0	0	0	110.6	M52 Q54 R88 H89 G90 E91 R92 L291 S396	M52-Y394 WeakPolarHBondContact O-CD2 3.2Å; M52-Y394 PolarHBondContact O-N 2.86Å; Q54-Y394 WeakPolarHBondContact CG-O 3.4Å; R88-Y394 VanDerWaalsContact NH1-N 3.2Å; H89-Y394 AromaticContact CE1-CE1 3.76Å; G90-Y394 WeakPolarHBondContact O-CD1 3.4Å; E91-Y394 HydrophobicContact CB-CD2 4.05Å; E91-Y394 HydrophobicContact CB-CE2 4.31Å; E91-Y394 HydrophobicContact CB-CG 4.46Å; E91-Y394 HydrophobicContact CG-CD2 4.21Å; E91-Y394 HydrophobicContact CG-CE2 4.09Å; R92-Y394 HydrophobicContact CG-CE1 3.94Å; L291-Y394 HydrophobicContact CB-CE2 4.29Å; L291-Y394 HydrophobicContact CD1-CE2 4.37Å; Y394-S396 PolarHBondContact O-N 2.97Å
395	T	97.9	Very high	96.1	Very high	13 Å²	13	17.2 Å²	17.2	8%	0.08	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	12.3	-175.6	67.3	0	0	0	0	116.4	R88 H89 Q161 R397	R88-T395 WeakPolarHBondContact O-CA 3.15Å; H89-T395 PolarHBondContact O-N 3.42Å; H89-T395 VanDerWaalsContact O-N 3.14Å; Q161-T395 HydrophobicContact CB-CG2 3.48Å; Q161-T395 VanDerWaalsContact CB-CG2 3.48Å; Q161-T395 HydrophobicContact CG-CG2 4.33Å; T395-R397 PolarHBondContact O-N 3.46Å
396	S	98.3	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.115	C	C	.	.			trans	-57	142.5	171.3	53.2	0	0	0	0	110.2	F87 R88 P392 H393 Y394 N417	F87-S396 CarbonylContact C-O 3.56Å; F87-S396 WeakPolarHBondContact CA-O 3.45Å; F87-S396 WeakPolarHBondContact CB-O 3.41Å; R88-S396 PolarHBondContact N-O 3.3Å; P392-S396 WeakPolarHBondContact CB-OG 3.21Å; H393-S396 WeakPolarHBondContact O-CB 3.45Å; H393-S396 PolarHBondContact O-N 2.98Å; H393-S396 VanDerWaalsContact O-N 3.1Å; H393-S396 PolarHBondContact O-OG 3.33Å; Y394-S396 PolarHBondContact O-N 2.97Å; S396-N417 WeakPolarHBondContact CA-OD1 3.03Å; S396-N417 WeakPolarHBondContact CB-OD1 3.36Å
397	R	98.5	Very high	95.3	Very high	14 Å²	14	24.6 Å²	24.6	5%	0.053	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.6	-171.2	71.2	-165.9	-173.5	-96	2.6	112.4	T61 E64 V86 F87 T395 V399 Y416 N417 G418	T61-R397 PolarHBondContact O-NH2 3.09Å; E64-R397 VanDerWaalsContact CD-NH2 3.31Å; E64-R397 IonicContact OE1-CZ 3.53Å; E64-R397 IonicContact OE1-NE 3.55Å; E64-R397 PolarHBondContact OE1-NE 3.29Å; E64-R397 IonicContact OE1-NH2 3.35Å; E64-R397 PolarHBondContact OE1-NH2 3.04Å; E64-R397 IonicContact OE2-NH2 2.82Å; E64-R397 PolarHBondContact OE2-NH2 3.17Å; V86-R397 CarbonylContact O-C 3.57Å; V86-R397 VanDerWaalsContact O-CA 3.25Å; V86-R397 WeakPolarHBondContact O-CA 3.2Å; F87-R397 HydrophobicContact CB-CB 4.08Å; T395-R397 PolarHBondContact O-N 3.46Å; R397-V399 HydrophobicContact CG-CG2 4.3Å; R397-Y416 WeakPolarHBondContact O-CA 3.11Å; R397-Y416 WeakPolarHBondContact O-CD2 3.3Å; R397-N417 PolarHBondContact N-OD1 3.2Å; R397-N417 PolarHBondContact O-N 3.47Å; R397-G418 VanDerWaalsContact NH2-CA 3.3Å
398	I	98.9	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.7	164.6	-48.8	174.8	0	0	0	106.9	V86 V377 I380 L381 F400 T414 L415 Y416	V86-I398 HydrophobicContact CB-CB 4.38Å; V86-I398 PolarHBondContact N-O 3.39Å; V86-I398 PolarHBondContact O-N 2.86Å; V377-I398 HydrophobicContact CG1-CD1 4.1Å; V377-I398 HydrophobicContact CG1-CG1 4.11Å; I380-I398 HydrophobicContact CB-CD1 3.65Å; I380-I398 HydrophobicContact CD1-CD1 4.39Å; I380-I398 HydrophobicContact CG2-CD1 3.5Å; I380-I398 VanDerWaalsContact CG2-CD1 3.5Å; L381-I398 HydrophobicContact CD2-CD1 3.85Å; L381-I398 HydrophobicContact CD2-CG1 3.98Å; L381-I398 HydrophobicContact CG-CD1 3.83Å; L381-I398 HydrophobicContact CG-CG1 4.32Å; I398-F400 HydrophobicContact CB-CE2 4.46Å; I398-F400 HydrophobicContact CG2-CD2 4.21Å; I398-F400 HydrophobicContact CG2-CE1 4.31Å; I398-F400 HydrophobicContact CG2-CE2 3.56Å; I398-F400 HydrophobicContact CG2-CZ 3.63Å; I398-T414 HydrophobicContact CG2-CG2 4.18Å; I398-L415 CarbonylContact C-O 3.38Å; I398-L415 WeakPolarHBondContact CA-O 3.37Å; I398-Y416 HydrophobicContact CG1-CD2 4.28Å
399	V	98.8	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.1	176.9	-171.6	0	0	0	0	108.3	E64 T84 V85 F169 Y173 R397 E401 T414 L415	E64-V399 HydrophobicContact CG-CB 4.45Å; E64-V399 HydrophobicContact CG-CG1 4.39Å; E64-V399 HydrophobicContact CG-CG2 4.04Å; T84-V399 WeakPolarHBondContact O-CA 3.44Å; V85-V399 HydrophobicContact CG1-CG2 4.49Å; F169-V399 HydrophobicContact CE1-CG1 4.49Å; F169-V399 HydrophobicContact CE1-CG2 4.07Å; F169-V399 HydrophobicContact CZ-CG2 3.62Å; Y173-V399 WeakPolarHBondContact OH-CG1 3.36Å; R397-V399 HydrophobicContact CG-CG2 4.3Å; V399-E401 HydrophobicContact CG1-CG 3.98Å; V399-T414 CarbonylContact O-C 3.59Å; V399-T414 WeakPolarHBondContact O-CA 3.4Å; V399-L415 HydrophobicContact CB-CB 4.26Å; V399-L415 HydrophobicContact CB-CD1 4.13Å; V399-L415 HydrophobicContact CG1-CD1 4.35Å; V399-L415 PolarHBondContact N-O 3.1Å; V399-L415 PolarHBondContact O-N 2.69Å
400	F	98.8	Very high	95.3	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.4	167.5	-54.8	-88	0	0	0	108	I83 T84 L348 L351 I380 L384 I398 I412 R413 T414	I83-F400 CarbonylContact C-O 3.59Å; I83-F400 VanDerWaalsContact CA-O 3.27Å; I83-F400 WeakPolarHBondContact CA-O 3.32Å; T84-F400 HydrophobicContact CG2-CD2 4.34Å; T84-F400 PolarHBondContact N-O 3.47Å; T84-F400 PolarHBondContact O-N 3.28Å; L348-F400 HydrophobicContact CD2-CZ 4.05Å; L351-F400 HydrophobicContact CD1-CB 3.88Å; L351-F400 HydrophobicContact CD1-CG 4.48Å; L351-F400 HydrophobicContact CD2-CB 3.6Å; L351-F400 HydrophobicContact CD2-CD1 3.49Å; L351-F400 VanDerWaalsContact CD2-CD1 3.49Å; L351-F400 HydrophobicContact CD2-CD2 3.73Å; L351-F400 HydrophobicContact CD2-CE1 4.01Å; L351-F400 HydrophobicContact CD2-CE2 4.22Å; L351-F400 HydrophobicContact CD2-CG 3.32Å; L351-F400 HydrophobicContact CD2-CZ 4.34Å; L351-F400 HydrophobicContact CG-CB 4.42Å; I380-F400 HydrophobicContact CG2-CZ 4.11Å; L384-F400 HydrophobicContact CD1-CE1 3.89Å; L384-F400 HydrophobicContact CD1-CZ 3.85Å; I398-F400 HydrophobicContact CB-CE2 4.46Å; I398-F400 HydrophobicContact CG2-CD2 4.21Å; I398-F400 HydrophobicContact CG2-CE1 4.31Å; I398-F400 HydrophobicContact CG2-CE2 3.56Å; I398-F400 HydrophobicContact CG2-CZ 3.63Å; F400-I412 HydrophobicContact CB-CG2 4.17Å; F400-I412 HydrophobicContact CD1-CG2 4.13Å; F400-R413 CarbonylContact C-O 3.52Å; F400-R413 WeakPolarHBondContact CA-O 3.24Å; F400-T414 HydrophobicContact CD1-CG2 3.84Å; F400-T414 WeakPolarHBondContact CD1-OG1 3.41Å; F400-T414 HydrophobicContact CE1-CG2 3.57Å; F400-T414 HydrophobicContact CZ-CG2 4.33Å
401	E	98.3	Very high	95.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.1	174.9	-63.2	169	159	0	0	108.9	E64 G65 L80 I83 Y173 V399 Y403 I412 R413 L415	E64-E401 WeakPolarHBondContact CA-OE1 3.23Å; G65-E401 PolarHBondContact N-OE1 2.94Å; L80-E401 HydrophobicContact CD1-CB 3.8Å; L80-E401 HydrophobicContact CD1-CG 4.39Å; I83-E401 HydrophobicContact CG2-CG 4.06Å; Y173-E401 HydrophobicContact CE1-CG 4.38Å; Y173-E401 PolarHBondContact OH-OE1 3.26Å; V399-E401 HydrophobicContact CG1-CG 3.98Å; E401-Y403 HydrophobicContact CB-CD2 4.09Å; E401-Y403 HydrophobicContact CB-CE2 3.55Å; E401-Y403 HydrophobicContact CG-CE2 4.43Å; E401-Y403 WeakPolarHBondContact OE2-CE2 3.42Å; E401-Y403 PolarHBondContact OE2-OH 2.64Å; E401-I412 CarbonylContact O-C 3.49Å; E401-I412 VanDerWaalsContact O-CA 3.28Å; E401-I412 WeakPolarHBondContact O-CA 3.5Å; E401-R413 HydrophobicContact CB-CB 4.32Å; E401-R413 PolarHBondContact N-O 2.98Å; E401-R413 PolarHBondContact O-N 2.98Å; E401-R413 IonicContact OE1-CZ 2.96Å; E401-R413 IonicContact OE1-NH2 2.81Å; E401-R413 PolarHBondContact OE1-NH2 3.46Å; E401-R413 IonicContact OE2-CZ 3.49Å; E401-R413 IonicContact OE2-NE 3.31Å; E401-R413 PolarHBondContact OE2-NE 2.99Å; E401-R413 IonicContact OE2-NH2 2.71Å; E401-R413 PolarHBondContact OE2-NH2 2.84Å; E401-L415 HydrophobicContact CG-CD1 4.09Å
402	I	97.6	Very high	95.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.8	-177.9	-50.8	169.1	0	0	0	107.9	R81 G82 L351 V355 I358 F411	R81-I402 PolarHBondContact N-O 3.4Å; G82-I402 PolarHBondContact N-O 2.76Å; G82-I402 PolarHBondContact O-N 2.96Å; L351-I402 HydrophobicContact CD1-CD1 3.84Å; L351-I402 HydrophobicContact CD1-CG1 4.09Å; V355-I402 HydrophobicContact CG2-CD1 3.98Å; V355-I402 HydrophobicContact CG2-CG1 4.4Å; V355-I402 HydrophobicContact CG2-CG2 4.38Å; I358-I402 HydrophobicContact CD1-CB 3.9Å; I358-I402 HydrophobicContact CD1-CD1 3.59Å; I358-I402 HydrophobicContact CD1-CG1 4.37Å; I358-I402 HydrophobicContact CD1-CG2 3.66Å; I402-F411 CarbonylContact C-O 3.4Å; I402-F411 WeakPolarHBondContact CA-O 3.47Å
403	Y	94.9	Very high	95.7	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143	176.7	-74.7	-91.6	0	0	0	110.9	Q67 R79 L80 E401 L410 F411 R413 M437	Q67-Y403 HydrophobicContact CB-CD1 4.48Å; Q67-Y403 HydrophobicContact CB-CE1 3.78Å; Q67-Y403 HydrophobicContact CB-CE2 3.88Å; Q67-Y403 VanDerWaalsContact CB-CZ 3.46Å; Q67-Y403 HydrophobicContact CG-CE2 4.32Å; R79-Y403 CarbonylContact O-C 3.58Å; R79-Y403 WeakPolarHBondContact O-CA 3.25Å; L80-Y403 HydrophobicContact CB-CD1 4.16Å; L80-Y403 HydrophobicContact CB-CE1 3.74Å; L80-Y403 HydrophobicContact CD1-CD1 4.43Å; L80-Y403 HydrophobicContact CD1-CD2 4.17Å; L80-Y403 HydrophobicContact CD1-CE1 4.09Å; L80-Y403 HydrophobicContact CD1-CE2 3.81Å; L80-Y403 HydrophobicContact CD1-CG 4.46Å; L80-Y403 HydrophobicContact CG-CE1 4.44Å; E401-Y403 HydrophobicContact CB-CD2 4.09Å; E401-Y403 HydrophobicContact CB-CE2 3.55Å; E401-Y403 HydrophobicContact CG-CE2 4.43Å; E401-Y403 WeakPolarHBondContact OE2-CE2 3.42Å; E401-Y403 PolarHBondContact OE2-OH 2.64Å; Y403-L410 CarbonylContact O-C 3.49Å; Y403-L410 VanDerWaalsContact O-CA 3.31Å; Y403-L410 WeakPolarHBondContact O-CA 3.45Å; Y403-F411 PolarHBondContact N-O 2.71Å; Y403-F411 PolarHBondContact O-N 2.9Å; Y403-R413 HydrophobicContact CE2-CB 4.41Å; Y403-M437 HydrophobicContact CD2-SD 3.34Å; Y403-M437 WeakPolarHBondContact CD2-SD 3.16Å; Y403-M437 HydrophobicContact CE2-SD 4.08Å; Y403-M437 HydrophobicContact CG-CE 4.27Å; Y403-M437 HydrophobicContact CG-SD 3.65Å
404	E	93.6	Very high	95.8	Very high	51 Å²	51	19 Å²	19	24%	0.238	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.5	169.6	178	174.5	-117.1	0	0	108.7	L78 R79 R81 L410	L78-E404 CarbonylContact C-O 3.54Å; L78-E404 WeakPolarHBondContact CA-O 3.43Å; R79-E404 IonicContact CZ-OE2 2.96Å; R79-E404 PolarHBondContact N-O 3.43Å; R79-E404 IonicContact NE-OE2 3.64Å; R79-E404 PolarHBondContact NE-OE2 3.22Å; R79-E404 IonicContact NH2-OE2 2.64Å; R79-E404 PolarHBondContact NH2-OE2 2.76Å; R79-E404 PolarHBondContact O-N 2.8Å; R81-E404 WeakPolarHBondContact CD-OE2 3.37Å; R81-E404 HydrophobicContact CG-CB 3.55Å; R81-E404 IonicContact CZ-OE2 3.27Å; R81-E404 IonicContact NE-OE2 3.18Å; R81-E404 IonicContact NH1-OE1 3.49Å; R81-E404 PolarHBondContact NH1-OE1 3.4Å; R81-E404 IonicContact NH1-OE2 2.72Å; R81-E404 PolarHBondContact NH1-OE2 3.36Å; E404-L410 HydrophobicContact CB-CD2 3.64Å; E404-L410 HydrophobicContact CG-CD2 4.02Å
405	H	92.3	Very high	95.8	Very high	5 Å²	5	19 Å²	19	2%	0.023	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.3	168	-170.9	-90	0	0	0	109	K77 L78 D407 D408 G409 F411 Y435	K77-H405 CarbonylContact O-C 3.59Å; K77-H405 VanDerWaalsContact O-CA 3.3Å; K77-H405 WeakPolarHBondContact O-CA 3.31Å; L78-H405 HydrophobicContact CD2-CB 3.81Å; H405-D407 IonicContact CE1-OD2 2.96Å; H405-D407 PolarHBondContact ND1-N 2.83Å; H405-D407 PolarHBondContact O-N 3.11Å; H405-D407 VanDerWaalsContact O-N 3.09Å; H405-D408 HydrophobicContact CB-CB 4.06Å; H405-D408 IonicContact CE1-OD2 2.63Å; H405-D408 IonicContact CG-OD2 2.74Å; H405-D408 PolarHBondContact ND1-N 3.37Å; H405-D408 IonicContact ND1-OD2 3.97Å; H405-D408 PolarHBondContact ND1-OD2 2.84Å; H405-D408 PolarHBondContact O-N 2.96Å; H405-G409 PolarHBondContact N-O 3Å; H405-G409 PolarHBondContact O-N 3.4Å; H405-G409 VanDerWaalsContact O-N 3.16Å; H405-F411 HydrophobicContact CB-CD2 4.21Å; H405-F411 HydrophobicContact CB-CE2 3.96Å; H405-Y435 AromaticContact CD2-CE2 3.84Å; H405-Y435 AromaticContact CD2-CZ 3.94Å; H405-Y435 AromaticContact NE2-CZ 3.87Å
406	S	88.1	Confident	95.9	Very high	75 Å²	75	19.2 Å²	19.2	52%	0.524	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.9	-176.2	63.3	0	0	0	0	113.9	K77	K77-S406 PolarHBondContact O-N 3.02Å
407	D	89.1	Confident	95.8	Very high	103 Å²	103	20.9 Å²	20.9	55%	0.551	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-21.5	-170.7	-47.5	-25.4	0	0	0	112.9	K77 H405	K77-D407 IonicContact NZ-OD2 3.17Å; K77-D407 PolarHBondContact NZ-OD2 3.28Å; H405-D407 IonicContact CE1-OD2 2.96Å; H405-D407 PolarHBondContact ND1-N 2.83Å; H405-D407 PolarHBondContact O-N 3.11Å; H405-D407 VanDerWaalsContact O-N 3.09Å
408	D	89.7	Confident	95.7	Very high	68 Å²	68	20.2 Å²	20.2	36%	0.364	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	1.1	-167.5	-68.6	-45.8	0	0	0	113.1	H405 F411 K434 Y435	H405-D408 HydrophobicContact CB-CB 4.06Å; H405-D408 IonicContact CE1-OD2 2.63Å; H405-D408 IonicContact CG-OD2 2.74Å; H405-D408 PolarHBondContact ND1-N 3.37Å; H405-D408 IonicContact ND1-OD2 3.97Å; H405-D408 PolarHBondContact ND1-OD2 2.84Å; H405-D408 PolarHBondContact O-N 2.96Å; D408-F411 HydrophobicContact CB-CE2 3.58Å; D408-F411 HydrophobicContact CB-CZ 3.78Å; D408-K434 VanDerWaalsContact CG-NZ 3.35Å; D408-K434 IonicContact OD1-NZ 3.64Å; D408-K434 PolarHBondContact OD1-NZ 3.27Å; D408-K434 IonicContact OD2-NZ 3.71Å; D408-K434 PolarHBondContact OD2-NZ 2.97Å; D408-Y435 WeakPolarHBondContact OD2-CE2 3.47Å; D408-Y435 PolarHBondContact OD2-OH 3.01Å
409	G	93.9	Very high	95.6	Very high	36 Å²	36	27.1 Å²	27.1	37%	0.371	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.1	-145.8	179.3	0	0	0	0	0	113.6	H405	H405-G409 PolarHBondContact N-O 3Å; H405-G409 PolarHBondContact O-N 3.4Å; H405-G409 VanDerWaalsContact O-N 3.16Å
410	L	96.5	Very high	95.5	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.073	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.6	-169.8	-61.1	-176.7	0	0	0	112.8	V355 I358 R359 Y403 E404 A440	V355-L410 HydrophobicContact CG1-CD1 3.86Å; I358-L410 HydrophobicContact CB-CD1 4.23Å; I358-L410 HydrophobicContact CG2-CD1 3.8Å; I358-L410 HydrophobicContact CG2-CD2 3.86Å; R359-L410 HydrophobicContact CG-CD1 3.58Å; R359-L410 HydrophobicContact CG-CG 4.44Å; Y403-L410 CarbonylContact O-C 3.49Å; Y403-L410 VanDerWaalsContact O-CA 3.31Å; Y403-L410 WeakPolarHBondContact O-CA 3.45Å; E404-L410 HydrophobicContact CB-CD2 3.64Å; E404-L410 HydrophobicContact CG-CD2 4.02Å; L410-A440 HydrophobicContact CB-CB 3.7Å; L410-A440 WeakPolarHBondContact O-CB 3.42Å; L410-A440 PolarHBondContact O-N 2.62Å
411	F	96.6	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155	175.1	-67.9	-94.8	0	0	0	110.8	I402 Y403 H405 D408 K434 Y435 M437 C438 K439	I402-F411 CarbonylContact C-O 3.4Å; I402-F411 WeakPolarHBondContact CA-O 3.47Å; Y403-F411 PolarHBondContact N-O 2.71Å; Y403-F411 PolarHBondContact O-N 2.9Å; H405-F411 HydrophobicContact CB-CD2 4.21Å; H405-F411 HydrophobicContact CB-CE2 3.96Å; D408-F411 HydrophobicContact CB-CE2 3.58Å; D408-F411 HydrophobicContact CB-CZ 3.78Å; F411-K434 HydrophobicContact CE1-CB 3.67Å; F411-K434 HydrophobicContact CZ-CB 4.2Å; F411-K434 HydrophobicContact CZ-CD 4.37Å; F411-Y435 HydrophobicContact CE1-CD2 4.29Å; F411-Y435 HydrophobicContact CE2-CD2 4.24Å; F411-Y435 HydrophobicContact CE2-CE2 4.09Å; F411-Y435 HydrophobicContact CZ-CD2 4.1Å; F411-Y435 AromaticContact CZ-CE2 3.94Å; F411-Y435 HydrophobicContact CZ-CE2 3.94Å; F411-M437 HydrophobicContact CB-CB 3.8Å; F411-M437 HydrophobicContact CB-CE 4.15Å; F411-M437 HydrophobicContact CB-SD 4.19Å; F411-M437 HydrophobicContact CD1-CB 4.29Å; F411-M437 HydrophobicContact CG-CB 4.4Å; F411-C438 CarbonylContact C-O 2.95Å; F411-C438 WeakPolarHBondContact CA-O 3.21Å; F411-K439 HydrophobicContact CD1-CG 4.19Å; F411-K439 HydrophobicContact CE1-CB 4.45Å; F411-K439 HydrophobicContact CE1-CG 3.56Å; F411-K439 HydrophobicContact CZ-CG 4.14Å
412	I	97.7	Very high	95.2	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.5	177	-57	179.2	0	0	0	108.7	V355 F400 E401 C438 A440 F443	V355-I412 HydrophobicContact CG2-CD1 3.96Å; V355-I412 HydrophobicContact CG2-CG1 4.49Å; F400-I412 HydrophobicContact CB-CG2 4.17Å; F400-I412 HydrophobicContact CD1-CG2 4.13Å; E401-I412 CarbonylContact O-C 3.49Å; E401-I412 VanDerWaalsContact O-CA 3.28Å; E401-I412 WeakPolarHBondContact O-CA 3.5Å; I412-C438 PolarHBondContact N-O 3.44Å; I412-C438 PolarHBondContact O-N 3.31Å; I412-A440 HydrophobicContact CD1-CB 4.4Å; I412-A440 HydrophobicContact CG1-CB 4.29Å; I412-F443 HydrophobicContact CD1-CB 3.67Å; I412-F443 HydrophobicContact CD1-CD1 3.26Å; I412-F443 HydrophobicContact CD1-CD2 4.32Å; I412-F443 HydrophobicContact CD1-CE1 3.95Å; I412-F443 HydrophobicContact CD1-CG 3.47Å; I412-F443 VanDerWaalsContact CD1-CG 3.47Å
413	R	97	Very high	95	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.023	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.7	165.2	-169.4	165.7	66.2	148.1	5.6	108.6	E63 G65 Q67 F400 E401 Y403 L415 M437	E63-R413 VanDerWaalsContact O-CZ 3.28Å; E63-R413 PolarHBondContact O-NH1 2.98Å; E63-R413 PolarHBondContact O-NH2 3.17Å; G65-R413 VanDerWaalsContact N-NH2 3.2Å; Q67-R413 VanDerWaalsContact CG-CD 3.48Å; F400-R413 CarbonylContact C-O 3.52Å; F400-R413 WeakPolarHBondContact CA-O 3.24Å; E401-R413 HydrophobicContact CB-CB 4.32Å; E401-R413 PolarHBondContact N-O 2.98Å; E401-R413 PolarHBondContact O-N 2.98Å; E401-R413 IonicContact OE1-CZ 2.96Å; E401-R413 IonicContact OE1-NH2 2.81Å; E401-R413 PolarHBondContact OE1-NH2 3.46Å; E401-R413 IonicContact OE2-CZ 3.49Å; E401-R413 IonicContact OE2-NE 3.31Å; E401-R413 PolarHBondContact OE2-NE 2.99Å; E401-R413 IonicContact OE2-NH2 2.71Å; E401-R413 PolarHBondContact OE2-NH2 2.84Å; Y403-R413 HydrophobicContact CE2-CB 4.41Å; R413-L415 HydrophobicContact CG-CD1 4.12Å; R413-L415 HydrophobicContact CG-CG 4.49Å; R413-M437 HydrophobicContact CB-CG 3.88Å; R413-M437 HydrophobicContact CB-SD 4.21Å; R413-M437 HydrophobicContact CG-CG 4.37Å
414	T	98.2	Very high	94.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.5	174.9	-54	0	0	0	0	109.8	L384 I386 I398 V399 F400 N420 K421 T422 I425	L384-T414 HydrophobicContact CD1-CG2 4.32Å; I386-T414 HydrophobicContact CD1-CG2 4.08Å; I398-T414 HydrophobicContact CG2-CG2 4.18Å; V399-T414 CarbonylContact O-C 3.59Å; V399-T414 WeakPolarHBondContact O-CA 3.4Å; F400-T414 HydrophobicContact CD1-CG2 3.84Å; F400-T414 WeakPolarHBondContact CD1-OG1 3.41Å; F400-T414 HydrophobicContact CE1-CG2 3.57Å; F400-T414 HydrophobicContact CZ-CG2 4.33Å; T414-N420 PolarHBondContact O-OD1 3.23Å; T414-K421 PolarHBondContact O-N 3.22Å; T414-T422 PolarHBondContact N-OG1 2.91Å; T414-T422 PolarHBondContact O-N 2.9Å; T414-I425 HydrophobicContact CG2-CD1 4.25Å; T414-I425 VanDerWaalsContact OG1-CD1 3.27Å; T414-I425 WeakPolarHBondContact OG1-CD1 3.27Å
415	L	98.4	Very high	94.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143	174.5	-53.7	96.8	0	0	0	110.6	E63 E64 I398 V399 E401 R413 R419	E63-L415 HydrophobicContact CB-CD2 3.86Å; E64-L415 HydrophobicContact CG-CD2 4.32Å; I398-L415 CarbonylContact C-O 3.38Å; I398-L415 WeakPolarHBondContact CA-O 3.37Å; V399-L415 HydrophobicContact CB-CB 4.26Å; V399-L415 HydrophobicContact CB-CD1 4.13Å; V399-L415 HydrophobicContact CG1-CD1 4.35Å; V399-L415 PolarHBondContact N-O 3.1Å; V399-L415 PolarHBondContact O-N 2.69Å; E401-L415 HydrophobicContact CG-CD1 4.09Å; R413-L415 HydrophobicContact CG-CD1 4.12Å; R413-L415 HydrophobicContact CG-CG 4.49Å; L415-R419 CarbonylContact C-O 3.54Å; L415-R419 WeakPolarHBondContact CA-O 3.45Å
416	Y	98.4	Very high	94.9	Very high	18 Å²	18	43.4 Å²	43.4	7%	0.071	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.7	167	177	-128.8	0	0	0	108.7	V377 L381 I386 F388 R397 I398 G418 R419	V377-Y416 HydrophobicContact CG1-CE2 4.22Å; L381-Y416 HydrophobicContact CD1-CD2 3.96Å; L381-Y416 HydrophobicContact CD1-CE1 4.13Å; L381-Y416 HydrophobicContact CD1-CE2 3.47Å; L381-Y416 VanDerWaalsContact CD1-CE2 3.47Å; L381-Y416 HydrophobicContact CD1-CG 4.49Å; L381-Y416 HydrophobicContact CD2-CD1 4.25Å; L381-Y416 HydrophobicContact CD2-CD2 3.7Å; L381-Y416 HydrophobicContact CD2-CE2 4.12Å; L381-Y416 HydrophobicContact CD2-CG 3.79Å; L381-Y416 HydrophobicContact CG-CD2 4.44Å; L381-Y416 HydrophobicContact CG-CE2 4.39Å; I386-Y416 HydrophobicContact CG2-CD1 4.2Å; I386-Y416 HydrophobicContact CG2-CG 4.49Å; F388-Y416 HydrophobicContact CB-CE1 3.83Å; R397-Y416 WeakPolarHBondContact O-CA 3.11Å; R397-Y416 WeakPolarHBondContact O-CD2 3.3Å; I398-Y416 HydrophobicContact CG1-CD2 4.28Å; Y416-G418 PolarHBondContact O-N 3.4Å; Y416-R419 PolarHBondContact N-O 3.32Å; Y416-R419 PolarHBondContact O-N 3.31Å
417	N	97.4	Very high	95.2	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	44.7	-176.1	-60.7	-30.1	0	0	0	113.1	H393 S396 R397 R419	H393-N417 PolarHBondContact CE1-ND2 3.47Å; H393-N417 PolarHBondContact NE2-ND2 3.2Å; S396-N417 WeakPolarHBondContact CA-OD1 3.03Å; S396-N417 WeakPolarHBondContact CB-OD1 3.36Å; R397-N417 PolarHBondContact N-OD1 3.2Å; R397-N417 PolarHBondContact O-N 3.47Å; N417-R419 VanDerWaalsContact C-N 3.29Å; N417-R419 PolarHBondContact O-N 3.47Å
418	G	96.6	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	10.6	177.8	0	0	0	0	0	115.7	G62 E63 E64 R397 Y416	G62-G418 CarbonylContact C-O 3.56Å; G62-G418 VanDerWaalsContact CA-O 3.27Å; G62-G418 WeakPolarHBondContact CA-O 3.27Å; E63-G418 WeakPolarHBondContact CB-O 3.31Å; E63-G418 WeakPolarHBondContact CG-O 3.38Å; E63-G418 PolarHBondContact N-O 3.02Å; E64-G418 WeakPolarHBondContact OE1-CA 3.25Å; E64-G418 PolarHBondContact OE1-N 2.67Å; E64-G418 VanDerWaalsContact OE2-CA 3.24Å; E64-G418 WeakPolarHBondContact OE2-CA 3.37Å; R397-G418 VanDerWaalsContact NH2-CA 3.3Å; Y416-G418 PolarHBondContact O-N 3.4Å
419	R	96.4	Very high	95.4	Very high	144 Å²	144	39.9 Å²	39.9	54%	0.543	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.2	173.1	-62.5	-59.4	-173.2	173.9	-0.6	110.4	E63 L415 Y416 N417 K421	E63-R419 VanDerWaalsContact OE1-CD 3.23Å; E63-R419 WeakPolarHBondContact OE1-CD 3.13Å; E63-R419 IonicContact OE1-CZ 3.71Å; E63-R419 IonicContact OE1-NE 3.94Å; E63-R419 IonicContact OE1-NH1 2.74Å; E63-R419 PolarHBondContact OE1-NH1 2.99Å; L415-R419 CarbonylContact C-O 3.54Å; L415-R419 WeakPolarHBondContact CA-O 3.45Å; Y416-R419 PolarHBondContact N-O 3.32Å; Y416-R419 PolarHBondContact O-N 3.31Å; N417-R419 VanDerWaalsContact C-N 3.29Å; N417-R419 PolarHBondContact O-N 3.47Å; R419-K421 PolarHBondContact O-N 3.01Å
420	N	95.6	Very high	95.3	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	120.2	172.7	-172.1	-1.9	0	0	0	110.1	E63 T414 T422 G436	E63-N420 WeakPolarHBondContact OE2-CB 3.48Å; E63-N420 PolarHBondContact OE2-N 2.91Å; T414-N420 PolarHBondContact O-OD1 3.23Å; N420-T422 VanDerWaalsContact OD1-CB 3.26Å; N420-T422 WeakPolarHBondContact OD1-CB 3.24Å; N420-T422 PolarHBondContact OD1-N 3.06Å; N420-T422 PolarHBondContact OD1-OG1 2.72Å; N420-G436 PolarHBondContact ND2-O 3.18Å
421	K	96.6	Very high	94.9	Very high	56 Å²	56	47.4 Å²	47.4	24%	0.243	23%	0.23	C	C	.	.			trans	-113.9	10.6	178.9	-65.9	-56.5	-174.3	177.9	0	112.7	I386 T414 R419 Y423 N424	I386-K421 HydrophobicContact CD1-CB 3.81Å; I386-K421 HydrophobicContact CD1-CG 4.48Å; I386-K421 HydrophobicContact CG1-CB 4.13Å; I386-K421 HydrophobicContact CG2-CB 4.23Å; I386-K421 HydrophobicContact CG2-CD 4.3Å; I386-K421 HydrophobicContact CG2-CG 3.9Å; T414-K421 PolarHBondContact O-N 3.22Å; R419-K421 PolarHBondContact O-N 3.01Å; K421-Y423 VanDerWaalsContact C-N 3.26Å; K421-Y423 PolarHBondContact O-N 2.99Å; K421-N424 WeakPolarHBondContact CD-OD1 3.19Å; K421-N424 WeakPolarHBondContact O-CA 3.46Å; K421-N424 WeakPolarHBondContact O-CB 3.4Å; K421-N424 PolarHBondContact O-N 3.38Å
422	T	95.4	Very high	94.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-58	-39	-174.7	-51.8	0	0	0	0	112.5	T414 N420 N424 I425 C438	T414-T422 PolarHBondContact N-OG1 2.91Å; T414-T422 PolarHBondContact O-N 2.9Å; N420-T422 VanDerWaalsContact OD1-CB 3.26Å; N420-T422 WeakPolarHBondContact OD1-CB 3.24Å; N420-T422 PolarHBondContact OD1-N 3.06Å; N420-T422 PolarHBondContact OD1-OG1 2.72Å; T422-N424 PolarHBondContact O-N 3Å; T422-I425 HydrophobicContact CG2-CD1 4.39Å; T422-I425 PolarHBondContact O-N 3.29Å; T422-C438 HydrophobicContact CG2-CB 3.84Å
423	Y	91.9	Very high	94.5	Very high	147 Å²	147	51.7 Å²	51.7	58%	0.576	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.6	175.4	-61.8	-81.7	0	0	0	114.4	K421 I433 G436	K421-Y423 VanDerWaalsContact C-N 3.26Å; K421-Y423 PolarHBondContact O-N 2.99Å; Y423-I433 HydrophobicContact CD1-CD1 3.95Å; Y423-I433 HydrophobicContact CD1-CG2 3.94Å; Y423-I433 HydrophobicContact CE1-CG2 3.52Å; Y423-G436 VanDerWaalsContact OH-CA 3.23Å; Y423-G436 WeakPolarHBondContact OH-CA 3.39Å
424	N	91.9	Very high	94.2	Very high	79 Å²	79	55.1 Å²	55.1	42%	0.422	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-93.9	-5.1	178.3	-57.7	115.7	0	0	0	112.7	K421 T422 R426	K421-N424 WeakPolarHBondContact CD-OD1 3.19Å; K421-N424 WeakPolarHBondContact O-CA 3.46Å; K421-N424 WeakPolarHBondContact O-CB 3.4Å; K421-N424 PolarHBondContact O-N 3.38Å; T422-N424 PolarHBondContact O-N 3Å; N424-R426 PolarHBondContact O-N 3.4Å
425	I	95.1	Very high	93.7	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	28%	0.276	C	S	.	.			trans	-73.9	127.5	-175.1	-63.7	176.6	0	0	0	110.5	L384 T414 T422 F427 C428	L384-I425 HydrophobicContact CD2-CG2 4.33Å; L384-I425 CarbonylContact O-C 3.59Å; L384-I425 WeakPolarHBondContact O-CA 2.88Å; T414-I425 HydrophobicContact CG2-CD1 4.25Å; T414-I425 VanDerWaalsContact OG1-CD1 3.27Å; T414-I425 WeakPolarHBondContact OG1-CD1 3.27Å; T422-I425 HydrophobicContact CG2-CD1 4.39Å; T422-I425 PolarHBondContact O-N 3.29Å; I425-F427 VanDerWaalsContact C-N 3.31Å; I425-F427 HydrophobicContact CG2-CD1 3.47Å; I425-F427 VanDerWaalsContact CG2-CD1 3.47Å; I425-F427 HydrophobicContact CG2-CD2 4.15Å; I425-F427 HydrophobicContact CG2-CE1 3.25Å; I425-F427 HydrophobicContact CG2-CE2 3.9Å; I425-F427 HydrophobicContact CG2-CG 3.92Å; I425-F427 HydrophobicContact CG2-CZ 3.45Å; I425-F427 VanDerWaalsContact CG2-CZ 3.45Å; I425-F427 PolarHBondContact O-N 3.01Å; I425-C428 HydrophobicContact CB-CB 3.97Å; I425-C428 HydrophobicContact CG2-CB 4.08Å; I425-C428 PolarHBondContact O-N 3.13Å; I425-C428 VanDerWaalsContact O-N 3.08Å
426	R	92.7	Very high	93.2	Very high	90 Å²	90	57.5 Å²	57.5	34%	0.34	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-44.6	-175.9	-69.5	178.7	-169.3	-109	5.1	113.8	D330 L384 N424 Q429	D330-R426 IonicContact OD1-CZ 3.21Å; D330-R426 IonicContact OD1-NH1 2.98Å; D330-R426 PolarHBondContact OD1-NH1 3.01Å; D330-R426 IonicContact OD1-NH2 3.38Å; D330-R426 PolarHBondContact OD1-NH2 2.81Å; L384-R426 PolarHBondContact O-N 3.42Å; N424-R426 PolarHBondContact O-N 3.4Å; R426-Q429 PolarHBondContact O-NE2 3.15Å
427	F	93.3	Very high	93	Very high	39 Å²	39	56.7 Å²	56.7	17%	0.171	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.6	-175.2	66	-100.8	0	0	0	114.2	L384 I425 A442 F443 F446	L384-F427 HydrophobicContact CD2-CE1 3.58Å; L384-F427 HydrophobicContact CD2-CZ 4.33Å; I425-F427 VanDerWaalsContact C-N 3.31Å; I425-F427 HydrophobicContact CG2-CD1 3.47Å; I425-F427 VanDerWaalsContact CG2-CD1 3.47Å; I425-F427 HydrophobicContact CG2-CD2 4.15Å; I425-F427 HydrophobicContact CG2-CE1 3.25Å; I425-F427 HydrophobicContact CG2-CE2 3.9Å; I425-F427 HydrophobicContact CG2-CG 3.92Å; I425-F427 HydrophobicContact CG2-CZ 3.45Å; I425-F427 VanDerWaalsContact CG2-CZ 3.45Å; I425-F427 PolarHBondContact O-N 3.01Å; F427-A442 HydrophobicContact CD2-CB 4.45Å; F427-F443 HydrophobicContact CE1-CD2 4.43Å; F427-F443 VanDerWaalsContact CE2-CA 3.43Å; F427-F443 HydrophobicContact CE2-CB 3.83Å; F427-F443 HydrophobicContact CE2-CD2 4.31Å; F427-F443 HydrophobicContact CZ-CB 4.08Å; F427-F443 AromaticContact CZ-CD2 3.7Å; F427-F443 HydrophobicContact CZ-CD2 3.7Å; F427-F443 HydrophobicContact CZ-CG 4.4Å; F427-F446 HydrophobicContact CB-CB 3.92Å; F427-F446 HydrophobicContact CB-CD2 3.72Å; F427-F446 HydrophobicContact CB-CG 3.99Å; F427-F446 HydrophobicContact CD1-CB 3.55Å; F427-F446 AromaticContact CD1-CD1 3.37Å; F427-F446 HydrophobicContact CD1-CD1 3.37Å; F427-F446 AromaticContact CD1-CD2 3.38Å; F427-F446 HydrophobicContact CD1-CD2 3.38Å; F427-F446 AromaticContact CD1-CE1 3.82Å; F427-F446 HydrophobicContact CD1-CE1 3.82Å; F427-F446 AromaticContact CD1-CE2 3.84Å; F427-F446 HydrophobicContact CD1-CE2 3.84Å; F427-F446 AromaticContact CD1-CG 3.11Å; F427-F446 HydrophobicContact CD1-CG 3.11Å; F427-F446 HydrophobicContact CD1-CZ 4.04Å; F427-F446 HydrophobicContact CD2-CB 3.88Å; F427-F446 HydrophobicContact CD2-CG 4.37Å; F427-F446 HydrophobicContact CE1-CB 3.97Å; F427-F446 AromaticContact CE1-CD1 3.34Å; F427-F446 HydrophobicContact CE1-CD1 3.34Å; F427-F446 HydrophobicContact CE1-CD2 4.24Å; F427-F446 AromaticContact CE1-CE1 3.8Å; F427-F446 HydrophobicContact CE1-CE1 3.8Å; F427-F446 AromaticContact CE1-CG 3.58Å; F427-F446 HydrophobicContact CE1-CG 3.58Å; F427-F446 HydrophobicContact CE1-CZ 4.42Å; F427-F446 HydrophobicContact CE2-CB 4.34Å; F427-F446 HydrophobicContact CG-CB 3.5Å; F427-F446 VanDerWaalsContact CG-CB 3.5Å; F427-F446 HydrophobicContact CG-CD1 4.24Å; F427-F446 AromaticContact CG-CD2 3.79Å; F427-F446 HydrophobicContact CG-CD2 3.79Å; F427-F446 AromaticContact CG-CG 3.58Å; F427-F446 HydrophobicContact CG-CG 3.58Å; F427-F446 HydrophobicContact CZ-CB 4.38Å; F427-F446 HydrophobicContact CZ-CD1 4.24Å; F427-F446 HydrophobicContact CZ-CG 4.43Å
428	C	94.2	Very high	93	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.007	27%	0.268	C	S	.	.			trans	-105.6	96.8	-176.7	-158.3	0	0	0	0	109.9	I425 I433 C438	I425-C428 HydrophobicContact CB-CB 3.97Å; I425-C428 HydrophobicContact CG2-CB 4.08Å; I425-C428 PolarHBondContact O-N 3.13Å; I425-C428 VanDerWaalsContact O-N 3.08Å; C428-I433 HydrophobicContact CB-CG1 4.45Å; C428-I433 VanDerWaalsContact O-CD1 3.3Å; C428-I433 WeakPolarHBondContact O-CD1 3.42Å; C428-C438 HydrophobicContact CB-CB 3.99Å; C428-C438 WeakPolarHBondContact CB-SG 3.46Å; C428-C438 WeakPolarHBondContact SG-CA 3.42Å; C428-C438 WeakPolarHBondContact SG-CB 3.14Å; C428-C438 CovalentContact SG-SG 2.02Å; C428-C438 PolarHBondContact SG-SG 3.47Å
429	Q	90.4	Very high	93	Very high	132 Å²	132	58.3 Å²	58.3	62%	0.617	28%	0.282	S	S	*	.			trans	-142	158.6	-173.8	-59.2	-174.8	5.8	0	0	111.2	R426 D431 D432	R426-Q429 PolarHBondContact O-NE2 3.15Å; Q429-D431 PolarHBondContact O-N 3.05Å; Q429-D432 WeakPolarHBondContact O-CB 3.44Å; Q429-D432 PolarHBondContact O-N 3.39Å; Q429-D432 VanDerWaalsContact O-N 3.13Å
430	G	90.8	Very high	93	Very high	63 Å²	63	51.5 Å²	51.5	65%	0.649	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	54.2	-126.5	175.7	0	0	0	0	0	112.8	D432 I433	G430-D432 PolarHBondContact O-N 3.33Å; G430-D432 VanDerWaalsContact O-N 3.1Å; G430-I433 PolarHBondContact O-N 3.47Å; G430-I433 VanDerWaalsContact O-N 3.07Å
431	D	89.1	Confident	93.1	Very high	144 Å²	144	53.8 Å²	53.8	77%	0.77	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-65.8	-10.6	-176.7	-64.6	-25.7	0	0	0	114.6	Q429 I433 K439	Q429-D431 PolarHBondContact O-N 3.05Å; D431-I433 VanDerWaalsContact C-N 3.3Å; D431-K439 VanDerWaalsContact O-CE 3.26Å; D431-K439 WeakPolarHBondContact O-CE 3.45Å; D431-K439 PolarHBondContact O-NZ 3.33Å
432	D	92.4	Very high	93.2	Very high	52 Å²	52	51.6 Å²	51.6	28%	0.278	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-77.8	-17.7	174.1	-70.1	-39	0	0	0	112.7	Q429 G430 C438 K439 A442	Q429-D432 WeakPolarHBondContact O-CB 3.44Å; Q429-D432 PolarHBondContact O-N 3.39Å; Q429-D432 VanDerWaalsContact O-N 3.13Å; G430-D432 PolarHBondContact O-N 3.33Å; G430-D432 VanDerWaalsContact O-N 3.1Å; D432-C438 CarbonylContact O-C 3.5Å; D432-C438 WeakPolarHBondContact O-CA 3.31Å; D432-K439 PolarHBondContact O-N 2.95Å; D432-A442 HydrophobicContact CB-CB 3.88Å; D432-A442 VanDerWaalsContact CG-CB 3.49Å
433	I	93.1	Very high	93.3	Very high	41 Å²	41	51.7 Å²	51.7	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.8	176.3	-62.6	171.3	0	0	0	109.7	Y423 C428 G430 D431 M437	Y423-I433 HydrophobicContact CD1-CD1 3.95Å; Y423-I433 HydrophobicContact CD1-CG2 3.94Å; Y423-I433 HydrophobicContact CE1-CG2 3.52Å; C428-I433 HydrophobicContact CB-CG1 4.45Å; C428-I433 VanDerWaalsContact O-CD1 3.3Å; C428-I433 WeakPolarHBondContact O-CD1 3.42Å; G430-I433 PolarHBondContact O-N 3.47Å; G430-I433 VanDerWaalsContact O-N 3.07Å; D431-I433 VanDerWaalsContact C-N 3.3Å; I433-M437 WeakPolarHBondContact CA-O 3.37Å
434	K	90.4	Very high	93.6	Very high	79 Å²	79	45.4 Å²	45.4	34%	0.343	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.6	170.7	-154.8	177.3	-177.8	-171	0	109.1	D408 F411 G436 M437	D408-K434 VanDerWaalsContact CG-NZ 3.35Å; D408-K434 IonicContact OD1-NZ 3.64Å; D408-K434 PolarHBondContact OD1-NZ 3.27Å; D408-K434 IonicContact OD2-NZ 3.71Å; D408-K434 PolarHBondContact OD2-NZ 2.97Å; F411-K434 HydrophobicContact CE1-CB 3.67Å; F411-K434 HydrophobicContact CZ-CB 4.2Å; F411-K434 HydrophobicContact CZ-CD 4.37Å; K434-G436 PolarHBondContact O-N 3.17Å; K434-G436 VanDerWaalsContact O-N 3.1Å; K434-M437 PolarHBondContact N-O 3.12Å; K434-M437 CarbonylContact O-C 3.56Å; K434-M437 WeakPolarHBondContact O-CA 3.39Å; K434-M437 PolarHBondContact O-N 3.05Å
435	Y	87.5	Confident	93.9	Very high	46 Å²	46	48.1 Å²	48.1	18%	0.18	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	22.8	178.1	-42.1	-59.5	0	0	0	114.3	Q67 Y74 H405 D408 F411 M437	Q67-Y435 PolarHBondContact NE2-O 3.34Å; Y74-Y435 HydrophobicContact CD1-CD1 4.17Å; Y74-Y435 AromaticContact CD1-CE1 3.71Å; Y74-Y435 HydrophobicContact CD1-CE1 3.71Å; Y74-Y435 HydrophobicContact CE1-CD1 4.22Å; Y74-Y435 AromaticContact CE1-CE1 3.57Å; Y74-Y435 HydrophobicContact CE1-CE1 3.57Å; Y74-Y435 HydrophobicContact CG-CD1 4.41Å; Y74-Y435 HydrophobicContact CG-CE1 4.38Å; H405-Y435 AromaticContact CD2-CE2 3.84Å; H405-Y435 AromaticContact CD2-CZ 3.94Å; H405-Y435 AromaticContact NE2-CZ 3.87Å; D408-Y435 WeakPolarHBondContact OD2-CE2 3.47Å; D408-Y435 PolarHBondContact OD2-OH 3.01Å; F411-Y435 HydrophobicContact CE1-CD2 4.29Å; F411-Y435 HydrophobicContact CE2-CD2 4.24Å; F411-Y435 HydrophobicContact CE2-CE2 4.09Å; F411-Y435 HydrophobicContact CZ-CD2 4.1Å; F411-Y435 AromaticContact CZ-CE2 3.94Å; F411-Y435 HydrophobicContact CZ-CE2 3.94Å; Y435-M437 HydrophobicContact CD2-CE 4.41Å; Y435-M437 HydrophobicContact CG-CE 4.45Å; Y435-M437 PolarHBondContact O-N 3.37Å
436	G	88.6	Confident	94	Very high	6 Å²	6	48.5 Å²	48.5	6%	0.062	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	25.2	-172.3	0	0	0	0	0	114.3	N420 Y423 K434	N420-G436 PolarHBondContact ND2-O 3.18Å; Y423-G436 VanDerWaalsContact OH-CA 3.23Å; Y423-G436 WeakPolarHBondContact OH-CA 3.39Å; K434-G436 PolarHBondContact O-N 3.17Å; K434-G436 VanDerWaalsContact O-N 3.1Å
437	M	93.5	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.3	-179.9	-55.3	-174.3	-79.7	0	0	110.2	Q67 L78 Y403 F411 R413 I433 K434 Y435	Q67-M437 HydrophobicContact CG-CG 4.43Å; Q67-M437 HydrophobicContact CG-SD 4.11Å; L78-M437 HydrophobicContact CD1-CE 4.18Å; L78-M437 HydrophobicContact CD2-CE 3.92Å; Y403-M437 HydrophobicContact CD2-SD 3.34Å; Y403-M437 WeakPolarHBondContact CD2-SD 3.16Å; Y403-M437 HydrophobicContact CE2-SD 4.08Å; Y403-M437 HydrophobicContact CG-CE 4.27Å; Y403-M437 HydrophobicContact CG-SD 3.65Å; F411-M437 HydrophobicContact CB-CB 3.8Å; F411-M437 HydrophobicContact CB-CE 4.15Å; F411-M437 HydrophobicContact CB-SD 4.19Å; F411-M437 HydrophobicContact CD1-CB 4.29Å; F411-M437 HydrophobicContact CG-CB 4.4Å; R413-M437 HydrophobicContact CB-CG 3.88Å; R413-M437 HydrophobicContact CB-SD 4.21Å; R413-M437 HydrophobicContact CG-CG 4.37Å; I433-M437 WeakPolarHBondContact CA-O 3.37Å; K434-M437 PolarHBondContact N-O 3.12Å; K434-M437 CarbonylContact O-C 3.56Å; K434-M437 WeakPolarHBondContact O-CA 3.39Å; K434-M437 PolarHBondContact O-N 3.05Å; Y435-M437 HydrophobicContact CD2-CE 4.41Å; Y435-M437 HydrophobicContact CG-CE 4.45Å; Y435-M437 PolarHBondContact O-N 3.37Å
438	C	96.6	Very high	94.3	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137	179.2	-159.2	0	0	0	0	111.2	F411 I412 T422 C428 D432 A440	F411-C438 CarbonylContact C-O 2.95Å; F411-C438 WeakPolarHBondContact CA-O 3.21Å; I412-C438 PolarHBondContact N-O 3.44Å; I412-C438 PolarHBondContact O-N 3.31Å; T422-C438 HydrophobicContact CG2-CB 3.84Å; C428-C438 HydrophobicContact CB-CB 3.99Å; C428-C438 WeakPolarHBondContact CB-SG 3.46Å; C428-C438 WeakPolarHBondContact SG-CA 3.42Å; C428-C438 WeakPolarHBondContact SG-CB 3.14Å; C428-C438 CovalentContact SG-SG 2.02Å; C428-C438 PolarHBondContact SG-SG 3.47Å; D432-C438 CarbonylContact O-C 3.5Å; D432-C438 WeakPolarHBondContact O-CA 3.31Å; C438-A440 PolarHBondContact O-N 3.16Å
439	K	97.1	Very high	94.3	Very high	68 Å²	68	52.1 Å²	52.1	30%	0.296	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	131.8	168.6	-74.8	179.4	-179.8	156	0	109.9	F411 D431 D432 T441 A442 F443	F411-K439 HydrophobicContact CD1-CG 4.19Å; F411-K439 HydrophobicContact CE1-CB 4.45Å; F411-K439 HydrophobicContact CE1-CG 3.56Å; F411-K439 HydrophobicContact CZ-CG 4.14Å; D431-K439 VanDerWaalsContact O-CE 3.26Å; D431-K439 WeakPolarHBondContact O-CE 3.45Å; D431-K439 PolarHBondContact O-NZ 3.33Å; D432-K439 PolarHBondContact O-N 2.95Å; K439-T441 PolarHBondContact O-N 2.82Å; K439-A442 WeakPolarHBondContact O-CB 3.32Å; K439-A442 PolarHBondContact O-N 2.9Å; K439-A442 VanDerWaalsContact O-N 3.08Å; K439-F443 PolarHBondContact O-N 3.27Å
440	A	97.8	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-30.9	-179.8	0	0	0	0	0	112	V355 L410 I412 C438 A442 F443 E444	V355-A440 HydrophobicContact CG1-CB 3.86Å; L410-A440 HydrophobicContact CB-CB 3.7Å; L410-A440 WeakPolarHBondContact O-CB 3.42Å; L410-A440 PolarHBondContact O-N 2.62Å; I412-A440 HydrophobicContact CD1-CB 4.4Å; I412-A440 HydrophobicContact CG1-CB 4.29Å; C438-A440 PolarHBondContact O-N 3.16Å; A440-A442 VanDerWaalsContact C-N 3.33Å; A440-A442 PolarHBondContact O-N 3.28Å; A440-F443 WeakPolarHBondContact O-CB 3.43Å; A440-F443 PolarHBondContact O-N 2.86Å; A440-E444 VanDerWaalsContact O-CG 3.24Å; A440-E444 WeakPolarHBondContact O-CG 3.19Å; A440-E444 PolarHBondContact O-N 3.07Å
441	T	97.2	Very high	94.9	Very high	82 Å²	82	43.6 Å²	43.6	50%	0.503	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-36.8	176.3	49.9	0	0	0	0	113.2	K439 E444 K445	K439-T441 PolarHBondContact O-N 2.82Å; T441-E444 WeakPolarHBondContact CA-OE2 3.31Å; T441-E444 PolarHBondContact O-N 2.68Å; T441-K445 WeakPolarHBondContact O-CB 3.48Å; T441-K445 PolarHBondContact O-N 3.39Å
442	A	97.7	Very high	95.2	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-43.9	176.7	0	0	0	0	0	111	F427 D432 K439 A440 K445 F446	F427-A442 HydrophobicContact CD2-CB 4.45Å; D432-A442 HydrophobicContact CB-CB 3.88Å; D432-A442 VanDerWaalsContact CG-CB 3.49Å; K439-A442 WeakPolarHBondContact O-CB 3.32Å; K439-A442 PolarHBondContact O-N 2.9Å; K439-A442 VanDerWaalsContact O-N 3.08Å; A440-A442 VanDerWaalsContact C-N 3.33Å; A440-A442 PolarHBondContact O-N 3.28Å; A442-K445 PolarHBondContact O-N 2.83Å; A442-F446 PolarHBondContact O-N 3.48Å
443	F	98.1	Very high	95.3	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-45.2	172.6	168.3	-104.2	0	0	0	112.4	L348 L351 R352 I412 F427 K439 A440 K445 F446 V447	L348-F443 HydrophobicContact CB-CE2 4.49Å; L348-F443 HydrophobicContact CB-CZ 4.44Å; L348-F443 HydrophobicContact CD2-CE2 4.15Å; L348-F443 WeakPolarHBondContact O-CZ 3.22Å; L351-F443 HydrophobicContact CB-CE1 4.24Å; L351-F443 HydrophobicContact CB-CZ 3.9Å; L351-F443 HydrophobicContact CD2-CE1 3.93Å; L351-F443 HydrophobicContact CD2-CE2 3.83Å; L351-F443 HydrophobicContact CD2-CZ 3.41Å; L351-F443 VanDerWaalsContact CD2-CZ 3.41Å; L351-F443 HydrophobicContact CG-CE1 3.67Å; L351-F443 HydrophobicContact CG-CE2 4.44Å; L351-F443 HydrophobicContact CG-CZ 3.54Å; R352-F443 HydrophobicContact CB-CE1 3.89Å; R352-F443 HydrophobicContact CB-CZ 4.47Å; I412-F443 HydrophobicContact CD1-CB 3.67Å; I412-F443 HydrophobicContact CD1-CD1 3.26Å; I412-F443 HydrophobicContact CD1-CD2 4.32Å; I412-F443 HydrophobicContact CD1-CE1 3.95Å; I412-F443 HydrophobicContact CD1-CG 3.47Å; I412-F443 VanDerWaalsContact CD1-CG 3.47Å; F427-F443 HydrophobicContact CE1-CD2 4.43Å; F427-F443 VanDerWaalsContact CE2-CA 3.43Å; F427-F443 HydrophobicContact CE2-CB 3.83Å; F427-F443 HydrophobicContact CE2-CD2 4.31Å; F427-F443 HydrophobicContact CZ-CB 4.08Å; F427-F443 AromaticContact CZ-CD2 3.7Å; F427-F443 HydrophobicContact CZ-CD2 3.7Å; F427-F443 HydrophobicContact CZ-CG 4.4Å; K439-F443 PolarHBondContact O-N 3.27Å; A440-F443 WeakPolarHBondContact O-CB 3.43Å; A440-F443 PolarHBondContact O-N 2.86Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 3.26Å; F443-F446 WeakPolarHBondContact O-CB 3.2Å; F443-F446 PolarHBondContact O-N 3.39Å; F443-F446 VanDerWaalsContact O-N 3.16Å; F443-V447 HydrophobicContact CD2-CG2 4.07Å; F443-V447 HydrophobicContact CE1-CG2 4.06Å; F443-V447 HydrophobicContact CE2-CG2 3.5Å; F443-V447 VanDerWaalsContact CE2-CG2 3.5Å; F443-V447 HydrophobicContact CZ-CG2 3.49Å; F443-V447 VanDerWaalsContact CZ-CG2 3.49Å; F443-V447 WeakPolarHBondContact O-CG2 3.46Å; F443-V447 PolarHBondContact O-N 2.81Å
444	E	97.8	Very high	95.4	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-41.1	178.6	-70.5	174.3	107.7	0	0	112.3	R352 N356 R359 A440 T441 F446 V447 K448	R352-E444 HydrophobicContact CG-CG 4.05Å; N356-E444 PolarHBondContact OD1-OE1 2.94Å; R359-E444 IonicContact CZ-OE1 2.84Å; R359-E444 IonicContact CZ-OE2 2.86Å; R359-E444 VanDerWaalsContact CZ-OE2 3.31Å; R359-E444 IonicContact NH1-OE1 3.22Å; R359-E444 PolarHBondContact NH1-OE1 2.63Å; R359-E444 IonicContact NH1-OE2 2.82Å; R359-E444 PolarHBondContact NH1-OE2 2.61Å; R359-E444 IonicContact NH2-OE1 3.13Å; R359-E444 IonicContact NH2-OE2 3.61Å; R359-E444 PolarHBondContact NH2-OE2 2.85Å; A440-E444 VanDerWaalsContact O-CG 3.24Å; A440-E444 WeakPolarHBondContact O-CG 3.19Å; A440-E444 PolarHBondContact O-N 3.07Å; T441-E444 WeakPolarHBondContact CA-OE2 3.31Å; T441-E444 PolarHBondContact O-N 2.68Å; E444-F446 VanDerWaalsContact C-N 3.34Å; E444-V447 PolarHBondContact O-N 3.09Å; E444-K448 WeakPolarHBondContact O-CB 3.36Å; E444-K448 WeakPolarHBondContact O-CG 3.18Å; E444-K448 PolarHBondContact O-N 3.41Å
445	K	97.4	Very high	95.5	Very high	135 Å²	135	38.4 Å²	38.4	59%	0.587	19%	0.189	S	C	*	.	H	α-helix	trans	-61.7	-43.3	173.5	-175.6	179.7	179.4	-178.4	0	111.1	T441 A442 F443 V447 K448 E449 G450	T441-K445 WeakPolarHBondContact O-CB 3.48Å; T441-K445 PolarHBondContact O-N 3.39Å; A442-K445 PolarHBondContact O-N 2.83Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 3.26Å; K445-V447 PolarHBondContact O-N 3.35Å; K445-K448 PolarHBondContact O-N 2.63Å; K445-E449 PolarHBondContact O-N 2.83Å; K445-G450 PolarHBondContact O-N 3.32Å
446	F	97.7	Very high	95.8	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.048	21%	0.214	C	C	.	.	I	π-helix	trans	-59.4	-47.9	175.8	176.5	-105.7	0	0	0	112.4	L348 L384 F427 A442 F443 E444 K448 G450 L451 L454	L348-F446 HydrophobicContact CD1-CE1 4.08Å; L384-F446 HydrophobicContact CD2-CE1 4.32Å; F427-F446 HydrophobicContact CB-CB 3.92Å; F427-F446 HydrophobicContact CB-CD2 3.72Å; F427-F446 HydrophobicContact CB-CG 3.99Å; F427-F446 HydrophobicContact CD1-CB 3.55Å; F427-F446 AromaticContact CD1-CD1 3.37Å; F427-F446 HydrophobicContact CD1-CD1 3.37Å; F427-F446 AromaticContact CD1-CD2 3.38Å; F427-F446 HydrophobicContact CD1-CD2 3.38Å; F427-F446 AromaticContact CD1-CE1 3.82Å; F427-F446 HydrophobicContact CD1-CE1 3.82Å; F427-F446 AromaticContact CD1-CE2 3.84Å; F427-F446 HydrophobicContact CD1-CE2 3.84Å; F427-F446 AromaticContact CD1-CG 3.11Å; F427-F446 HydrophobicContact CD1-CG 3.11Å; F427-F446 HydrophobicContact CD1-CZ 4.04Å; F427-F446 HydrophobicContact CD2-CB 3.88Å; F427-F446 HydrophobicContact CD2-CG 4.37Å; F427-F446 HydrophobicContact CE1-CB 3.97Å; F427-F446 AromaticContact CE1-CD1 3.34Å; F427-F446 HydrophobicContact CE1-CD1 3.34Å; F427-F446 HydrophobicContact CE1-CD2 4.24Å; F427-F446 AromaticContact CE1-CE1 3.8Å; F427-F446 HydrophobicContact CE1-CE1 3.8Å; F427-F446 AromaticContact CE1-CG 3.58Å; F427-F446 HydrophobicContact CE1-CG 3.58Å; F427-F446 HydrophobicContact CE1-CZ 4.42Å; F427-F446 HydrophobicContact CE2-CB 4.34Å; F427-F446 HydrophobicContact CG-CB 3.5Å; F427-F446 VanDerWaalsContact CG-CB 3.5Å; F427-F446 HydrophobicContact CG-CD1 4.24Å; F427-F446 AromaticContact CG-CD2 3.79Å; F427-F446 HydrophobicContact CG-CD2 3.79Å; F427-F446 AromaticContact CG-CG 3.58Å; F427-F446 HydrophobicContact CG-CG 3.58Å; F427-F446 HydrophobicContact CZ-CB 4.38Å; F427-F446 HydrophobicContact CZ-CD1 4.24Å; F427-F446 HydrophobicContact CZ-CG 4.43Å; A442-F446 PolarHBondContact O-N 3.48Å; F443-F446 WeakPolarHBondContact O-CB 3.2Å; F443-F446 PolarHBondContact O-N 3.39Å; F443-F446 VanDerWaalsContact O-N 3.16Å; E444-F446 VanDerWaalsContact C-N 3.34Å; F446-K448 VanDerWaalsContact C-N 3.31Å; F446-K448 PolarHBondContact O-N 2.76Å; F446-G450 CarbonylContact O-C 3.56Å; F446-G450 WeakPolarHBondContact O-CA 3.2Å; F446-G450 PolarHBondContact O-N 3.5Å; F446-L451 HydrophobicContact CE1-CB 4.36Å; F446-L451 HydrophobicContact CE1-CD1 4.22Å; F446-L451 HydrophobicContact CZ-CB 4.28Å; F446-L451 HydrophobicContact CZ-CD1 3.98Å; F446-L451 PolarHBondContact O-N 3.33Å; F446-L454 HydrophobicContact CE2-CD1 3.52Å; F446-L454 HydrophobicContact CE2-CG 4.42Å; F446-L454 HydrophobicContact CZ-CD1 3.71Å
447	V	96.9	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-67	-32.1	-179.5	178.3	0	0	0	0	112.5	L348 R352 F443 E444 K445	L348-V447 HydrophobicContact CB-CG1 4.5Å; L348-V447 HydrophobicContact CB-CG2 3.86Å; R352-V447 HydrophobicContact CB-CG1 4.39Å; F443-V447 HydrophobicContact CD2-CG2 4.07Å; F443-V447 HydrophobicContact CE1-CG2 4.06Å; F443-V447 HydrophobicContact CE2-CG2 3.5Å; F443-V447 VanDerWaalsContact CE2-CG2 3.5Å; F443-V447 HydrophobicContact CZ-CG2 3.49Å; F443-V447 VanDerWaalsContact CZ-CG2 3.49Å; F443-V447 WeakPolarHBondContact O-CG2 3.46Å; F443-V447 PolarHBondContact O-N 2.81Å; E444-V447 PolarHBondContact O-N 3.09Å; K445-V447 PolarHBondContact O-N 3.35Å
448	K	94.9	Very high	96.1	Very high	112 Å²	112	48.1 Å²	48.1	49%	0.487	26%	0.257	S	S	.	.	I	π-helix	trans	-82	-30.3	-179.3	-73.9	178	178.7	179.1	0	114.2	E444 K445 F446 F452	E444-K448 WeakPolarHBondContact O-CB 3.36Å; E444-K448 WeakPolarHBondContact O-CG 3.18Å; E444-K448 PolarHBondContact O-N 3.41Å; K445-K448 PolarHBondContact O-N 2.63Å; F446-K448 VanDerWaalsContact C-N 3.31Å; F446-K448 PolarHBondContact O-N 2.76Å; K448-F452 WeakPolarHBondContact O-CD2 3.17Å; K448-F452 WeakPolarHBondContact O-CE2 3.33Å
449	E	95.4	Very high	95.9	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.444	28%	0.277	S	S	.	.	I	π-helix	trans	-135.9	-53.1	-170.6	-64.6	168.5	-163	0	0	111.4	K445 L451 F452 Q453	K445-E449 PolarHBondContact O-N 2.83Å; E449-L451 PolarHBondContact O-N 2.87Å; E449-F452 PolarHBondContact O-N 2.81Å; E449-F452 VanDerWaalsContact O-N 3.1Å; E449-Q453 WeakPolarHBondContact O-CG 3.37Å; E449-Q453 PolarHBondContact O-N 2.8Å
450	G	96.3	Very high	95.6	Very high	15 Å²	15	49.9 Å²	49.9	16%	0.155	27%	0.266	C	S	.	.	I	π-helix	trans	-60.8	-37.8	-171.9	0	0	0	0	0	114.5	K445 F446 F452 Q453 L454	K445-G450 PolarHBondContact O-N 3.32Å; F446-G450 CarbonylContact O-C 3.56Å; F446-G450 WeakPolarHBondContact O-CA 3.2Å; F446-G450 PolarHBondContact O-N 3.5Å; G450-F452 VanDerWaalsContact C-N 3.33Å; G450-F452 PolarHBondContact O-N 3.37Å; G450-Q453 PolarHBondContact O-N 3.27Å; G450-L454 WeakPolarHBondContact O-CB 3.25Å; G450-L454 WeakPolarHBondContact O-CG 3.39Å; G450-L454 PolarHBondContact O-N 3.3Å
451	L	96.4	Very high	95.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-36.1	177.2	-173.4	69.6	0	0	0	111.8	Y345 L348 V383 F446 E449 A455	Y345-L451 HydrophobicContact CD2-CD2 3.77Å; Y345-L451 HydrophobicContact CG-CD2 4.31Å; L348-L451 HydrophobicContact CD1-CD2 4.48Å; V383-L451 HydrophobicContact CB-CD1 3.87Å; V383-L451 HydrophobicContact CG1-CD1 3.91Å; V383-L451 HydrophobicContact CG2-CD1 4.14Å; F446-L451 HydrophobicContact CE1-CB 4.36Å; F446-L451 HydrophobicContact CE1-CD1 4.22Å; F446-L451 HydrophobicContact CZ-CB 4.28Å; F446-L451 HydrophobicContact CZ-CD1 3.98Å; F446-L451 PolarHBondContact O-N 3.33Å; E449-L451 PolarHBondContact O-N 2.87Å; L451-A455 PolarHBondContact O-N 3.27Å; L451-A455 VanDerWaalsContact O-N 3.16Å
452	F	95.8	Very high	95.1	Very high	16 Å²	16	53.9 Å²	53.9	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-72.2	-44	177.8	-54.1	-28.7	0	0	0	110.5	Y345 K448 E449 G450 L454 A455 G456 V457 M458 F460 M463	Y345-F452 AromaticContact CD2-CE1 3.84Å; Y345-F452 HydrophobicContact CD2-CE1 3.84Å; Y345-F452 HydrophobicContact CD2-CZ 4.23Å; Y345-F452 AromaticContact CE2-CE1 3.64Å; Y345-F452 HydrophobicContact CE2-CE1 3.64Å; Y345-F452 AromaticContact CE2-CZ 3.56Å; Y345-F452 HydrophobicContact CE2-CZ 3.56Å; K448-F452 WeakPolarHBondContact O-CD2 3.17Å; K448-F452 WeakPolarHBondContact O-CE2 3.33Å; E449-F452 PolarHBondContact O-N 2.81Å; E449-F452 VanDerWaalsContact O-N 3.1Å; G450-F452 VanDerWaalsContact C-N 3.33Å; G450-F452 PolarHBondContact O-N 3.37Å; F452-L454 VanDerWaalsContact C-N 3.31Å; F452-L454 PolarHBondContact O-N 2.86Å; F452-A455 CarbonylContact O-C 3.54Å; F452-A455 PolarHBondContact O-N 2.79Å; F452-A455 VanDerWaalsContact O-N 3.08Å; F452-G456 PolarHBondContact O-N 2.86Å; F452-V457 CarbonylContact C-O 3.48Å; F452-V457 HydrophobicContact CB-CG2 4.24Å; F452-V457 WeakPolarHBondContact CB-O 3.34Å; F452-V457 PolarHBondContact O-N 2.85Å; F452-M458 WeakPolarHBondContact CD2-O 3.33Å; F452-F460 HydrophobicContact CE1-CB 3.98Å; F452-F460 HydrophobicContact CZ-CB 4.17Å; F452-M463 HydrophobicContact CD1-CE 3.51Å; F452-M463 HydrophobicContact CE1-CE 4.15Å
453	Q	95	Very high	94.8	Very high	137 Å²	137	53.5 Å²	53.5	64%	0.64	28%	0.275	S	S	*	.	H	α-helix	trans	-58.2	-41.7	172.4	-69.4	172.1	8.9	0	0	112.2	E449 G450 A455 G456	E449-Q453 WeakPolarHBondContact O-CG 3.37Å; E449-Q453 PolarHBondContact O-N 2.8Å; G450-Q453 PolarHBondContact O-N 3.27Å; Q453-A455 VanDerWaalsContact C-N 3.33Å; Q453-A455 PolarHBondContact O-N 3.49Å; Q453-G456 PolarHBondContact O-N 2.93Å; Q453-G456 VanDerWaalsContact O-N 3.13Å
454	L	94.4	Very high	94.4	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.199	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-49.4	173.5	-81.4	177.2	0	0	0	110.6	R337 F446 G450 F452 G456	R337-L454 WeakPolarHBondContact CD-O 3.3Å; F446-L454 HydrophobicContact CE2-CD1 3.52Å; F446-L454 HydrophobicContact CE2-CG 4.42Å; F446-L454 HydrophobicContact CZ-CD1 3.71Å; G450-L454 WeakPolarHBondContact O-CB 3.25Å; G450-L454 WeakPolarHBondContact O-CG 3.39Å; G450-L454 PolarHBondContact O-N 3.3Å; F452-L454 VanDerWaalsContact C-N 3.31Å; F452-L454 PolarHBondContact O-N 2.86Å; L454-G456 PolarHBondContact O-N 3.46Å
455	A	93.9	Very high	93.7	Very high	16 Å²	16	59.2 Å²	59.2	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-71.2	-7.2	179.1	0	0	0	0	0	114.7	L451 F452 Q453 V457 M463	L451-A455 PolarHBondContact O-N 3.27Å; L451-A455 VanDerWaalsContact O-N 3.16Å; F452-A455 CarbonylContact O-C 3.54Å; F452-A455 PolarHBondContact O-N 2.79Å; F452-A455 VanDerWaalsContact O-N 3.08Å; Q453-A455 VanDerWaalsContact C-N 3.33Å; Q453-A455 PolarHBondContact O-N 3.49Å; A455-V457 HydrophobicContact CB-CG2 3.97Å; A455-M463 HydrophobicContact CB-CE 3.46Å; A455-M463 VanDerWaalsContact CB-CE 3.46Å; A455-M463 HydrophobicContact CB-CG 4.43Å; A455-M463 HydrophobicContact CB-SD 4Å
456	G	93.4	Very high	91.9	Very high	68 Å²	68	62.4 Å²	62.4	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	27.6	-177.4	0	0	0	0	0	113.8	F452 Q453 L454	F452-G456 PolarHBondContact O-N 2.86Å; Q453-G456 PolarHBondContact O-N 2.93Å; Q453-G456 VanDerWaalsContact O-N 3.13Å; L454-G456 PolarHBondContact O-N 3.46Å
457	V	94.3	Very high	91.6	Very high	27 Å²	27	65 Å²	65	16%	0.164	34%	0.335	C	S	.	.	S	Bend	trans	-132.9	173.6	-179.3	-62.2	0	0	0	0	112	F452 A455 D462 M463	F452-V457 CarbonylContact C-O 3.48Å; F452-V457 HydrophobicContact CB-CG2 4.24Å; F452-V457 WeakPolarHBondContact CB-O 3.34Å; F452-V457 PolarHBondContact O-N 2.85Å; A455-V457 HydrophobicContact CB-CG2 3.97Å; V457-D462 HydrophobicContact CB-CB 3.54Å; V457-D462 HydrophobicContact CG1-CB 3.71Å; V457-D462 HydrophobicContact CG2-CB 4.18Å; V457-M463 HydrophobicContact CG2-CE 3.71Å; V457-M463 HydrophobicContact CG2-CG 3.65Å
458	M	92.8	Very high	91.3	Very high	161 Å²	161	68.4 Å²	68.4	79%	0.793	35%	0.353	S	S	*	.	S	Bend	trans	-100.5	-32	-177.5	-63.7	-58.9	-65.1	0	0	113	F452 D462	F452-M458 WeakPolarHBondContact CD2-O 3.33Å; M458-D462 PolarHBondContact N-OD2 3.31Å
459	E	92.8	Very high	91.1	Very high	93 Å²	93	66 Å²	66	44%	0.435	35%	0.345	S	S	.	.	S	Bend	trans	-141.5	168.7	177.4	59.4	174.3	-159.8	0	0	112.8	K461 D462	E459-K461 HydrophobicContact CG-CB 4.05Å; E459-K461 PolarHBondContact O-N 3.38Å; E459-K461 WeakPolarHBondContact OE1-CB 3.35Å; E459-D462 WeakPolarHBondContact CG-OD2 3.43Å; E459-D462 PolarHBondContact N-OD2 3.39Å; E459-D462 WeakPolarHBondContact O-CB 3.36Å; E459-D462 PolarHBondContact O-N 3.5Å
460	F	91.9	Very high	90.9	Very high	14 Å²	14	64.3 Å²	64.3	6%	0.061	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-57.8	-36.9	178.3	177.9	-106.3	0	0	0	112.6	C236 C238 M342 Y345 F452 D462 M463	C236-F460 VanDerWaalsContact C-CE1 3.5Å; C236-F460 WeakPolarHBondContact O-CE1 3.15Å; C236-F460 VanDerWaalsContact O-CZ 3.25Å; C236-F460 WeakPolarHBondContact O-CZ 3.24Å; C238-F460 HydrophobicContact CB-CZ 4.26Å; M342-F460 HydrophobicContact CB-CE2 4.46Å; M342-F460 HydrophobicContact CG-CE2 3.91Å; M342-F460 HydrophobicContact CG-CZ 4.25Å; Y345-F460 HydrophobicContact CD1-CB 4.17Å; Y345-F460 HydrophobicContact CD1-CD1 4.17Å; Y345-F460 AromaticContact CD1-CD2 3.1Å; Y345-F460 HydrophobicContact CD1-CD2 3.1Å; Y345-F460 HydrophobicContact CD1-CE1 4.38Å; Y345-F460 AromaticContact CD1-CE2 3.35Å; Y345-F460 HydrophobicContact CD1-CE2 3.35Å; Y345-F460 AromaticContact CD1-CG 3.54Å; Y345-F460 HydrophobicContact CD1-CG 3.54Å; Y345-F460 HydrophobicContact CD1-CZ 4.01Å; Y345-F460 HydrophobicContact CD2-CD2 4.28Å; Y345-F460 HydrophobicContact CE1-CB 3.76Å; Y345-F460 AromaticContact CE1-CD1 3.96Å; Y345-F460 HydrophobicContact CE1-CD1 3.96Å; Y345-F460 AromaticContact CE1-CD2 3.58Å; Y345-F460 HydrophobicContact CE1-CD2 3.58Å; Y345-F460 HydrophobicContact CE1-CE1 4.49Å; Y345-F460 HydrophobicContact CE1-CE2 4.13Å; Y345-F460 AromaticContact CE1-CG 3.47Å; Y345-F460 HydrophobicContact CE1-CG 3.47Å; Y345-F460 VanDerWaalsContact CE1-CG 3.47Å; Y345-F460 HydrophobicContact CE2-CB 4.39Å; Y345-F460 AromaticContact CG-CD2 3.48Å; Y345-F460 HydrophobicContact CG-CD2 3.48Å; Y345-F460 VanDerWaalsContact CG-CD2 3.48Å; Y345-F460 AromaticContact CG-CE2 3.86Å; Y345-F460 HydrophobicContact CG-CE2 3.86Å; Y345-F460 HydrophobicContact CG-CG 4.21Å; F452-F460 HydrophobicContact CE1-CB 3.98Å; F452-F460 HydrophobicContact CZ-CB 4.17Å; F460-D462 PolarHBondContact O-N 3.34Å; F460-M463 WeakPolarHBondContact O-CB 3.17Å; F460-M463 PolarHBondContact O-N 2.99Å
461	K	91.1	Very high	90.5	Very high	112 Å²	112	67.4 Å²	67.4	49%	0.487	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.6	-34.8	-177.9	-155.9	-164.6	-169.9	-153.1	0	112.2	E459 M463 C464 Y465	E459-K461 HydrophobicContact CG-CB 4.05Å; E459-K461 PolarHBondContact O-N 3.38Å; E459-K461 WeakPolarHBondContact OE1-CB 3.35Å; K461-M463 VanDerWaalsContact C-N 3.25Å; K461-M463 PolarHBondContact O-N 3.46Å; K461-C464 WeakPolarHBondContact O-CA 3.26Å; K461-C464 VanDerWaalsContact O-CB 3.28Å; K461-C464 WeakPolarHBondContact O-CB 3.33Å; K461-C464 PolarHBondContact O-N 2.98Å; K461-Y465 HydrophobicContact CB-CE2 4.39Å; K461-Y465 HydrophobicContact CD-CE2 3.84Å; K461-Y465 WeakPolarHBondContact CE-OH 3.41Å; K461-Y465 HydrophobicContact CG-CE2 3.65Å; K461-Y465 PolarHBondContact NZ-OH 3.27Å; K461-Y465 WeakPolarHBondContact O-CD2 3.49Å; K461-Y465 WeakPolarHBondContact O-CE2 3.27Å
462	D	92.1	Very high	90.2	Very high	55 Å²	55	71.9 Å²	71.9	29%	0.294	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-64.1	-30.5	177.2	-60.6	-26.6	0	0	0	112.2	V457 M458 E459 F460 C464 Y465	V457-D462 HydrophobicContact CB-CB 3.54Å; V457-D462 HydrophobicContact CG1-CB 3.71Å; V457-D462 HydrophobicContact CG2-CB 4.18Å; M458-D462 PolarHBondContact N-OD2 3.31Å; E459-D462 WeakPolarHBondContact CG-OD2 3.43Å; E459-D462 PolarHBondContact N-OD2 3.39Å; E459-D462 WeakPolarHBondContact O-CB 3.36Å; E459-D462 PolarHBondContact O-N 3.5Å; F460-D462 PolarHBondContact O-N 3.34Å; D462-C464 PolarHBondContact O-N 3.49Å; D462-C464 VanDerWaalsContact O-N 3.14Å; D462-Y465 PolarHBondContact O-N 2.95Å
463	M	91.6	Very high	89.8	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-67.8	-10.5	172.3	-53.5	-168.9	-163.1	0	0	112.6	R338 M342 F452 A455 V457 F460 K461	R338-M463 PolarHBondContact NE-O 3.5Å; R338-M463 VanDerWaalsContact NE-O 3.1Å; R338-M463 VanDerWaalsContact NH2-C 3.27Å; R338-M463 PolarHBondContact NH2-O 2.98Å; M342-M463 HydrophobicContact CB-CB 4.21Å; M342-M463 HydrophobicContact CB-SD 3.87Å; M342-M463 PolarHBondContact N-SD 2.81Å; F452-M463 HydrophobicContact CD1-CE 3.51Å; F452-M463 HydrophobicContact CE1-CE 4.15Å; A455-M463 HydrophobicContact CB-CE 3.46Å; A455-M463 VanDerWaalsContact CB-CE 3.46Å; A455-M463 HydrophobicContact CB-CG 4.43Å; A455-M463 HydrophobicContact CB-SD 4Å; V457-M463 HydrophobicContact CG2-CE 3.71Å; V457-M463 HydrophobicContact CG2-CG 3.65Å; F460-M463 WeakPolarHBondContact O-CB 3.17Å; F460-M463 PolarHBondContact O-N 2.99Å; K461-M463 VanDerWaalsContact C-N 3.25Å; K461-M463 PolarHBondContact O-N 3.46Å
464	C	89.7	Confident	89.4	Confident	19 Å²	19	71.2 Å²	71.2	13%	0.128	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-108.9	16.4	-175.3	-63.1	0	0	0	0	114.4	C238 I240 K461 D462	C238-C464 VanDerWaalsContact CA-SG 3.59Å; C238-C464 HydrophobicContact CB-CB 4.24Å; C238-C464 WeakPolarHBondContact CB-SG 3.39Å; C238-C464 WeakPolarHBondContact SG-CA 3.22Å; C238-C464 WeakPolarHBondContact SG-CB 3.32Å; C238-C464 CovalentContact SG-SG 2.04Å; C238-C464 PolarHBondContact SG-SG 2.84Å; I240-C464 WeakPolarHBondContact CD1-O 3.35Å; I240-C464 WeakPolarHBondContact CG1-O 3.31Å; K461-C464 WeakPolarHBondContact O-CA 3.26Å; K461-C464 VanDerWaalsContact O-CB 3.28Å; K461-C464 WeakPolarHBondContact O-CB 3.33Å; K461-C464 PolarHBondContact O-N 2.98Å; D462-C464 PolarHBondContact O-N 3.49Å; D462-C464 VanDerWaalsContact O-N 3.14Å
465	Y	82.8	Confident	88.9	Confident	119 Å²	119	73.9 Å²	73.9	47%	0.467	39%	0.392	S	S	.	.			trans	-121.9	139	173.8	-67.3	-66.8	0	0	0	113.4	R338 K461 D462	R338-Y465 PolarHBondContact NH1-O 3.16Å; R338-Y465 PolarHBondContact NH2-O 3.46Å; K461-Y465 HydrophobicContact CB-CE2 4.39Å; K461-Y465 HydrophobicContact CD-CE2 3.84Å; K461-Y465 WeakPolarHBondContact CE-OH 3.41Å; K461-Y465 HydrophobicContact CG-CE2 3.65Å; K461-Y465 PolarHBondContact NZ-OH 3.27Å; K461-Y465 WeakPolarHBondContact O-CD2 3.49Å; K461-Y465 WeakPolarHBondContact O-CE2 3.27Å; D462-Y465 PolarHBondContact O-N 2.95Å
466	I	60.8	Low	88.5	Confident	203 Å²	203	79.2 Å²	79.2	100%	1.041	42%	0.416	S	S	*	.			trans	-64.3	0	178.3	-66.6	175.8	0	0	0	110.3	I240	I240-I466 HydrophobicContact CD1-CG1 4.34Å

Retrieved 466 of 466 residues in 251.2 ms (Link to these results)

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