A0A077ZE33_TRITR Loading...

LRR 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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	49.7	Very low	62.2	Low	222 Å²	222	127.1 Å²	127.1	100%	1.094	68%	0.684	S	S	*	*				0	-54.4	0	-72.2	-74.2	-162.5	0	0	111.6	G3 R4	M1-G3 PolarHBondContact O-N 3.39Å; M1-R4 PolarHBondContact O-N 3.27Å
2	L	51.7	Low	63.3	Low	164 Å²	164	123 Å²	123	86%	0.859	67%	0.667	S	S	*	*	H	α-helix	trans	-58.3	-34	-177.7	-83.4	139.5	0	0	0	116.2	R4	L2-R4 PolarHBondContact O-N 3.45Å
3	G	55.5	Low	64.1	Low	55 Å²	55	117.2 Å²	117.2	57%	0.567	65%	0.645	S	S	*	*	H	α-helix	trans	-71.2	-24.6	-178	0	0	0	0	0	115.8	M1	M1-G3 PolarHBondContact O-N 3.39Å
4	R	56	Low	64.9	Low	201 Å²	201	116.2 Å²	116.2	76%	0.758	64%	0.644	S	S	*	*	H	α-helix	trans	-75.1	-36.3	179.3	-87.3	-174.4	177.1	-163.1	-1.6	112.4	M1 L2 Q6 Q7 D8	M1-R4 PolarHBondContact O-N 3.27Å; L2-R4 PolarHBondContact O-N 3.45Å; R4-Q6 PolarHBondContact O-N 3.28Å; R4-Q7 PolarHBondContact O-N 3.25Å; R4-D8 PolarHBondContact O-N 3.36Å
5	C	56.4	Low	65.2	Low	87 Å²	87	112.1 Å²	112.1	59%	0.588	63%	0.631	S	S	*	*	H	α-helix	trans	-62.3	-29.3	176.3	-78.1	0	0	0	0	113.2	M9	C5-M9 WeakPolarHBondContact O-CG 3.22Å; C5-M9 PolarHBondContact O-N 3.37Å
6	Q	62.8	Low	65.8	Low	157 Å²	157	111.8 Å²	111.8	73%	0.734	63%	0.626	S	S	*	*	H	α-helix	trans	-74.4	-35.2	-178.1	-130.2	176.3	-22.7	0	0	112.6	R4 A10	R4-Q6 PolarHBondContact O-N 3.28Å; Q6-A10 PolarHBondContact O-N 3.45Å
7	Q	62.8	Low	65.6	Low	148 Å²	148	115.9 Å²	115.9	69%	0.692	63%	0.63	S	S	*	*	H	α-helix	trans	-70.7	-39.2	174.6	-86.2	177.9	-34.9	0	0	112.1	R4 M9 A10 A11	R4-Q7 PolarHBondContact O-N 3.25Å; Q7-M9 PolarHBondContact O-N 3.35Å; Q7-A10 PolarHBondContact O-N 3.11Å; Q7-A11 PolarHBondContact O-N 3.2Å; Q7-A11 VanDerWaalsContact O-N 3.11Å
8	D	73.4	Confident	65.4	Low	106 Å²	106	112.3 Å²	112.3	57%	0.567	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-39.7	178.5	-68.6	-25.6	0	0	0	111.6	R4 A10 A11 V12	R4-D8 PolarHBondContact O-N 3.36Å; D8-A10 PolarHBondContact O-N 3.31Å; D8-A11 PolarHBondContact O-N 3.27Å; D8-V12 VanDerWaalsContact O-CG2 3.32Å; D8-V12 WeakPolarHBondContact O-CG2 3.34Å; D8-V12 PolarHBondContact O-N 3.5Å
9	M	70.9	Confident	65.1	Low	139 Å²	139	109.8 Å²	109.8	69%	0.685	61%	0.607	S	S	*	*	H	α-helix	trans	-66.3	-35.8	177.9	-68.9	-68.5	-78.9	0	0	112.7	C5 Q7 A13	C5-M9 WeakPolarHBondContact O-CG 3.22Å; C5-M9 PolarHBondContact O-N 3.37Å; Q7-M9 PolarHBondContact O-N 3.35Å; M9-A13 WeakPolarHBondContact O-CB 3.23Å; M9-A13 PolarHBondContact O-N 2.96Å
10	A	72.2	Confident	64.9	Low	57 Å²	57	110.7 Å²	110.7	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-67.8	-41.2	175.1	0	0	0	0	0	111.7	Q6 Q7 D8 A13 V14	Q6-A10 PolarHBondContact O-N 3.45Å; Q7-A10 PolarHBondContact O-N 3.11Å; D8-A10 PolarHBondContact O-N 3.31Å; A10-A13 PolarHBondContact O-N 3.39Å; A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 2.98Å
11	A	72.7	Confident	64.4	Low	62 Å²	62	110 Å²	110	51%	0.512	60%	0.6	S	S	.	*	H	α-helix	trans	-63.6	-40.9	176.1	0	0	0	0	0	112	Q7 D8 V14 A15	Q7-A11 PolarHBondContact O-N 3.2Å; Q7-A11 VanDerWaalsContact O-N 3.11Å; D8-A11 PolarHBondContact O-N 3.27Å; A11-V14 PolarHBondContact O-N 2.82Å; A11-A15 WeakPolarHBondContact O-CB 3.18Å; A11-A15 PolarHBondContact O-N 2.89Å
12	V	75.2	Confident	64.4	Low	78 Å²	78	103.5 Å²	103.5	47%	0.473	57%	0.573	S	S	.	*	H	α-helix	trans	-65.4	-39.9	174.6	174.3	0	0	0	0	111.2	D8 A15 L16	D8-V12 VanDerWaalsContact O-CG2 3.32Å; D8-V12 WeakPolarHBondContact O-CG2 3.34Å; D8-V12 PolarHBondContact O-N 3.5Å; V12-A15 PolarHBondContact O-N 3.44Å; V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG1-CG 4.22Å; V12-L16 VanDerWaalsContact O-CB 3.32Å; V12-L16 WeakPolarHBondContact O-CB 3.43Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.36Å; V12-L16 PolarHBondContact O-N 2.97Å
13	A	73.4	Confident	64.3	Low	47 Å²	47	101.5 Å²	101.5	39%	0.388	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-42	176.3	0	0	0	0	0	112.4	M9 A10 L16 W17	M9-A13 WeakPolarHBondContact O-CB 3.23Å; M9-A13 PolarHBondContact O-N 2.96Å; A10-A13 PolarHBondContact O-N 3.39Å; A13-L16 PolarHBondContact O-N 2.9Å; A13-W17 WeakPolarHBondContact O-CB 3.32Å; A13-W17 PolarHBondContact O-N 3.42Å
14	V	75.6	Confident	64	Low	104 Å²	104	103 Å²	103	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-66.1	-41.7	175.7	174.2	0	0	0	0	111.1	A10 A11 W17 A18	A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 2.98Å; A11-V14 PolarHBondContact O-N 2.82Å; V14-W17 PolarHBondContact O-N 3.12Å; V14-A18 WeakPolarHBondContact O-CB 3.4Å; V14-A18 PolarHBondContact O-N 2.84Å
15	A	70.2	Confident	63.6	Low	54 Å²	54	99.7 Å²	99.7	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-42.5	176.1	0	0	0	0	0	111.6	A11 V12 A18 T19	A11-A15 WeakPolarHBondContact O-CB 3.18Å; A11-A15 PolarHBondContact O-N 2.89Å; V12-A15 PolarHBondContact O-N 3.44Å; A15-A18 PolarHBondContact O-N 3.36Å; A15-T19 WeakPolarHBondContact O-CG2 3.36Å; A15-T19 PolarHBondContact O-N 2.8Å; A15-T19 PolarHBondContact O-OG1 3.4Å; A15-T19 VanDerWaalsContact O-OG1 3.12Å
16	L	74.3	Confident	63	Low	107 Å²	107	102.4 Å²	102.4	56%	0.56	56%	0.562	S	S	*	*	H	α-helix	trans	-63.4	-42.3	175	-73.8	170.6	0	0	0	111.2	V12 A13 T19 F20	V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG1-CG 4.22Å; V12-L16 VanDerWaalsContact O-CB 3.32Å; V12-L16 WeakPolarHBondContact O-CB 3.43Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.36Å; V12-L16 PolarHBondContact O-N 2.97Å; A13-L16 PolarHBondContact O-N 2.9Å; L16-T19 WeakPolarHBondContact CA-OG1 3.34Å; L16-T19 PolarHBondContact O-N 2.86Å; L16-T19 PolarHBondContact O-OG1 3.31Å; L16-F20 WeakPolarHBondContact O-CB 3.36Å; L16-F20 PolarHBondContact O-N 2.82Å
17	W	62.8	Low	62.1	Low	183 Å²	183	98.9 Å²	98.9	69%	0.693	55%	0.554	S	S	*	*	H	α-helix	trans	-63.2	-41.6	173.6	-95.7	81.9	0	0	0	113.1	A13 V14 F20 L21	A13-W17 WeakPolarHBondContact O-CB 3.32Å; A13-W17 PolarHBondContact O-N 3.42Å; V14-W17 PolarHBondContact O-N 3.12Å; W17-F20 PolarHBondContact O-N 3.31Å; W17-L21 PolarHBondContact O-N 3.46Å
18	A	61.3	Low	61.3	Low	50 Å²	50	97.6 Å²	97.6	41%	0.413	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-43.4	176	0	0	0	0	0	111.2	V14 A15 F20 L21 T22	V14-A18 WeakPolarHBondContact O-CB 3.4Å; V14-A18 PolarHBondContact O-N 2.84Å; A15-A18 PolarHBondContact O-N 3.36Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 2.89Å; A18-L21 PolarHBondContact O-N 2.83Å; A18-T22 WeakPolarHBondContact O-CG2 3.45Å; A18-T22 PolarHBondContact O-N 3Å; A18-T22 PolarHBondContact O-OG1 3.32Å
19	T	60.7	Low	60.2	Low	66 Å²	66	94.9 Å²	94.9	41%	0.405	55%	0.549	S	S	.	.	H	α-helix	trans	-64.9	-36.5	174.2	57.6	0	0	0	0	111.8	A15 L16 T22 L23	A15-T19 WeakPolarHBondContact O-CG2 3.36Å; A15-T19 PolarHBondContact O-N 2.8Å; A15-T19 PolarHBondContact O-OG1 3.4Å; A15-T19 VanDerWaalsContact O-OG1 3.12Å; L16-T19 WeakPolarHBondContact CA-OG1 3.34Å; L16-T19 PolarHBondContact O-N 2.86Å; L16-T19 PolarHBondContact O-OG1 3.31Å; T19-T22 VanDerWaalsContact CA-OG1 3.26Å; T19-T22 WeakPolarHBondContact CA-OG1 3.26Å; T19-T22 PolarHBondContact O-N 3.4Å; T19-T22 PolarHBondContact O-OG1 2.79Å; T19-L23 VanDerWaalsContact O-CB 3.23Å; T19-L23 WeakPolarHBondContact O-CB 3.42Å; T19-L23 WeakPolarHBondContact O-CD1 3.23Å; T19-L23 WeakPolarHBondContact O-CG 3.35Å; T19-L23 PolarHBondContact O-N 2.87Å
20	F	60.1	Low	59.4	Low	126 Å²	126	91.6 Å²	91.6	55%	0.553	54%	0.536	S	S	*	.	H	α-helix	trans	-66.7	-39.7	176.3	-165.9	-105.6	0	0	0	111.3	L16 W17 A18 L23 I24	L16-F20 WeakPolarHBondContact O-CB 3.36Å; L16-F20 PolarHBondContact O-N 2.82Å; W17-F20 PolarHBondContact O-N 3.31Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 2.89Å; F20-L23 PolarHBondContact O-N 3.39Å; F20-I24 HydrophobicContact CD1-CD1 3.5Å; F20-I24 HydrophobicContact CD1-CG1 4.41Å; F20-I24 HydrophobicContact CE1-CD1 3.34Å; F20-I24 HydrophobicContact CE1-CG1 4.33Å; F20-I24 HydrophobicContact CG-CD1 4.31Å; F20-I24 HydrophobicContact CZ-CD1 4.03Å; F20-I24 WeakPolarHBondContact O-CB 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.21Å; F20-I24 PolarHBondContact O-N 3.33Å
21	L	54.1	Low	59.1	Low	98 Å²	98	94.4 Å²	94.4	51%	0.513	54%	0.544	S	S	.	.	H	α-helix	trans	-63.7	-45.2	170.8	-80.4	159.5	0	0	0	111.7	W17 A18 L23 I24 D25	W17-L21 PolarHBondContact O-N 3.46Å; A18-L21 PolarHBondContact O-N 2.83Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 3.28Å; L21-I24 PolarHBondContact O-N 3.32Å; L21-D25 PolarHBondContact O-N 2.91Å
22	T	50.9	Low	59.5	Low	84 Å²	84	93 Å²	93	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-67.9	-28.6	176.5	57.6	0	0	0	0	113.4	A18 T19 L26	A18-T22 WeakPolarHBondContact O-CG2 3.45Å; A18-T22 PolarHBondContact O-N 3Å; A18-T22 PolarHBondContact O-OG1 3.32Å; T19-T22 VanDerWaalsContact CA-OG1 3.26Å; T19-T22 WeakPolarHBondContact CA-OG1 3.26Å; T19-T22 PolarHBondContact O-N 3.4Å; T19-T22 PolarHBondContact O-OG1 2.79Å; T22-L26 PolarHBondContact O-N 3.36Å
23	L	48.7	Very low	59.7	Low	122 Å²	122	93.8 Å²	93.8	64%	0.639	52%	0.524	S	S	*	.	H	α-helix	trans	-78.9	-31.2	176.2	-84.6	156.8	0	0	0	112	T19 F20 L21	T19-L23 VanDerWaalsContact O-CB 3.23Å; T19-L23 WeakPolarHBondContact O-CB 3.42Å; T19-L23 WeakPolarHBondContact O-CD1 3.23Å; T19-L23 WeakPolarHBondContact O-CG 3.35Å; T19-L23 PolarHBondContact O-N 2.87Å; F20-L23 PolarHBondContact O-N 3.39Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 3.28Å
24	I	49.7	Very low	60.4	Low	87 Å²	87	92.8 Å²	92.8	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-69.6	-40.1	171.1	-70.7	166.9	0	0	0	110.2	F20 L21 L26 S27	F20-I24 HydrophobicContact CD1-CD1 3.5Å; F20-I24 HydrophobicContact CD1-CG1 4.41Å; F20-I24 HydrophobicContact CE1-CD1 3.34Å; F20-I24 HydrophobicContact CE1-CG1 4.33Å; F20-I24 HydrophobicContact CG-CD1 4.31Å; F20-I24 HydrophobicContact CZ-CD1 4.03Å; F20-I24 WeakPolarHBondContact O-CB 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.21Å; F20-I24 PolarHBondContact O-N 3.33Å; L21-I24 PolarHBondContact O-N 3.32Å; I24-L26 VanDerWaalsContact C-N 3.28Å; I24-L26 PolarHBondContact O-N 3.27Å; I24-S27 PolarHBondContact O-N 3.15Å; I24-S27 PolarHBondContact O-OG 3.4Å
25	D	46.7	Very low	61	Low	132 Å²	132	92.6 Å²	92.6	71%	0.706	51%	0.51	S	S	*	.	H	α-helix	trans	-73	-16.7	179.2	-80.5	-21.3	0	0	0	113.9	L21 S27	L21-D25 PolarHBondContact O-N 2.91Å; D25-S27 PolarHBondContact O-N 3.15Å
26	L	45	Very low	61.7	Low	144 Å²	144	94.4 Å²	94.4	75%	0.754	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.8	174	-117.1	87.5	0	0	0	114	T22 I24 T28	T22-L26 PolarHBondContact O-N 3.36Å; I24-L26 VanDerWaalsContact C-N 3.28Å; I24-L26 PolarHBondContact O-N 3.27Å; L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 2.63Å
27	S	43.3	Very low	61.9	Low	83 Å²	83	95.5 Å²	95.5	58%	0.58	52%	0.523	S	S	*	.	S	Bend	trans	-72.7	90.2	177.3	75.8	0	0	0	0	110.8	I24 D25 A29	I24-S27 PolarHBondContact O-N 3.15Å; I24-S27 PolarHBondContact O-OG 3.4Å; D25-S27 PolarHBondContact O-N 3.15Å; S27-A29 PolarHBondContact O-N 3.29Å
28	T	45.8	Very low	62.7	Low	120 Å²	120	90.7 Å²	90.7	74%	0.736	51%	0.513	S	S	*	.			trans	58.2	40.8	155.5	62.7	0	0	0	0	116.2	L26 V30	L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 2.63Å; T28-V30 VanDerWaalsContact C-N 3.34Å; T28-V30 PolarHBondContact O-N 2.93Å
29	A	50.2	Low	63.2	Low	49 Å²	49	94 Å²	94	41%	0.405	53%	0.533	S	S	.	.			trans	-57.9	108.2	155.3	0	0	0	0	0	106	S27 D31	S27-A29 PolarHBondContact O-N 3.29Å; A29-D31 VanDerWaalsContact C-N 3.34Å; A29-D31 PolarHBondContact O-N 2.85Å
30	V	55.4	Low	64.1	Low	70 Å²	70	95 Å²	95	42%	0.424	54%	0.537	S	S	.	.			trans	-58.6	107.8	169.1	176.6	0	0	0	0	104.3	T28 F32 Y56	T28-V30 VanDerWaalsContact C-N 3.34Å; T28-V30 PolarHBondContact O-N 2.93Å; V30-F32 PolarHBondContact O-N 3.19Å; V30-Y56 HydrophobicContact CB-CD1 4.13Å; V30-Y56 HydrophobicContact CB-CE1 3.82Å; V30-Y56 HydrophobicContact CG1-CD1 4.4Å; V30-Y56 HydrophobicContact CG1-CE1 3.74Å
31	D	65.9	Low	65.3	Low	116 Å²	116	89.6 Å²	89.6	62%	0.62	52%	0.515	S	S	*	.			trans	-55.8	133	176.2	-89	-32.4	0	0	0	107.2	A29 E33	A29-D31 VanDerWaalsContact C-N 3.34Å; A29-D31 PolarHBondContact O-N 2.85Å; D31-E33 PolarHBondContact O-N 2.73Å
32	F	79.3	Confident	67.1	Low	33 Å²	33	84.9 Å²	84.9	15%	0.145	49%	0.49	C	S	.	.			trans	-69.6	101.2	-178.1	168.7	-107.4	0	0	0	108.3	V30 C34 C42 V49 V61 R64 I65 Y69	V30-F32 PolarHBondContact O-N 3.19Å; F32-C34 VanDerWaalsContact CE1-SG 3.54Å; F32-C34 WeakPolarHBondContact CZ-SG 3.26Å; F32-C42 HydrophobicContact CE2-CB 4.12Å; F32-V49 HydrophobicContact CE2-CG1 4.28Å; F32-V49 HydrophobicContact CZ-CG1 4.34Å; F32-V61 HydrophobicContact CB-CG2 4.21Å; F32-V61 HydrophobicContact CD2-CG2 3.79Å; F32-V61 HydrophobicContact CG-CG2 4.29Å; F32-R64 HydrophobicContact CB-CB 4.38Å; F32-R64 HydrophobicContact CD1-CB 4.45Å; F32-I65 HydrophobicContact CD2-CD1 4.25Å; F32-I65 HydrophobicContact CD2-CG1 3.87Å; F32-I65 HydrophobicContact CE1-CG1 4.06Å; F32-I65 HydrophobicContact CE2-CD1 3.77Å; F32-I65 HydrophobicContact CE2-CG1 3.34Å; F32-I65 HydrophobicContact CG-CG1 4.43Å; F32-I65 HydrophobicContact CZ-CB 4.49Å; F32-I65 HydrophobicContact CZ-CD1 4.31Å; F32-I65 HydrophobicContact CZ-CG1 3.43Å; F32-I65 VanDerWaalsContact CZ-CG1 3.43Å; F32-Y69 HydrophobicContact CE1-CD2 4.49Å; F32-Y69 AromaticContact CE1-CE2 3.83Å; F32-Y69 HydrophobicContact CE1-CE2 3.83Å; F32-Y69 HydrophobicContact CZ-CD2 4.38Å; F32-Y69 AromaticContact CZ-CE2 3.78Å; F32-Y69 HydrophobicContact CZ-CE2 3.78Å
33	E	80.3	Confident	69.2	Low	94 Å²	94	87 Å²	87	44%	0.439	49%	0.494	S	S	.	.			trans	-111.1	117.8	-176.2	-75.6	-176.8	-176.5	0	0	110.8	D31 Q36 C42	D31-E33 PolarHBondContact O-N 2.73Å; E33-Q36 HydrophobicContact CB-CG 3.71Å; E33-Q36 HydrophobicContact CG-CG 4.3Å; E33-C42 PolarHBondContact O-N 3.45Å
34	C	88.4	Confident	71.4	Confident	26 Å²	26	81.9 Å²	81.9	18%	0.176	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-96.7	139.5	177.4	-80.5	0	0	0	0	112	F32 Q36 C44 Y69	F32-C34 VanDerWaalsContact CE1-SG 3.54Å; F32-C34 WeakPolarHBondContact CZ-SG 3.26Å; C34-Q36 PolarHBondContact O-N 2.98Å; C34-Q36 VanDerWaalsContact O-N 3.13Å; C34-C44 HydrophobicContact CB-CB 3.58Å; C34-C44 WeakPolarHBondContact CB-SG 3.31Å; C34-C44 WeakPolarHBondContact SG-CB 3.34Å; C34-C44 CovalentContact SG-SG 2.03Å; C34-C44 PolarHBondContact SG-SG 2.95Å; C34-Y69 PolarHBondContact SG-OH 3.49Å
35	N	87.9	Confident	73.5	Confident	100 Å²	100	80 Å²	80	54%	0.535	46%	0.463	S	S	.	.	S	Bend	trans	55.1	28.6	172.6	-58.2	-32	0	0	0	114.1	C42 C44	N35-C42 PolarHBondContact N-O 3.13Å; N35-C44 PolarHBondContact ND2-O 3.08Å; N35-C44 PolarHBondContact OD1-N 3.4Å
36	Q	85.3	Confident	75.6	Confident	92 Å²	92	78.8 Å²	78.8	43%	0.43	46%	0.46	S	S	.	.			trans	-76.4	151	171.8	-63.4	-58.4	-35.4	0	0	110.9	E33 C34 T38 A41	E33-Q36 HydrophobicContact CB-CG 3.71Å; E33-Q36 HydrophobicContact CG-CG 4.3Å; C34-Q36 PolarHBondContact O-N 2.98Å; C34-Q36 VanDerWaalsContact O-N 3.13Å; Q36-T38 PolarHBondContact O-N 2.8Å; Q36-T38 VanDerWaalsContact O-N 3.08Å; Q36-A41 HydrophobicContact CB-CB 3.79Å; Q36-A41 WeakPolarHBondContact O-CB 3.48Å
37	P	79	Confident	78	Confident	131 Å²	131	75.1 Å²	75.1	85%	0.851	44%	0.444	S	S	*	.	S	Bend	trans	-71.3	1.8	-178.9	27.5	-33.5	0	0	0	114.4
38	T	78.7	Confident	80.6	Confident	81 Å²	81	74.8 Å²	74.8	50%	0.497	44%	0.435	S	S	.	.	S	Bend	trans	-79.6	145.3	177.9	60.6	0	0	0	0	111.8	Q36 N40 A41	Q36-T38 PolarHBondContact O-N 2.8Å; Q36-T38 VanDerWaalsContact O-N 3.08Å; T38-N40 PolarHBondContact O-N 3.41Å; T38-A41 PolarHBondContact O-N 3.3Å; T38-A41 WeakPolarHBondContact OG1-CB 3.41Å
39	S	71.2	Confident	83	Confident	119 Å²	119	69 Å²	69	83%	0.832	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18	-179.3	62	0	0	0	0	115.3
40	N	79.7	Confident	85.2	Confident	89 Å²	89	69 Å²	69	48%	0.476	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	17.4	-175.6	-60.3	3.4	0	0	0	112.4	T38 T54	T38-N40 PolarHBondContact O-N 3.41Å; N40-T54 WeakPolarHBondContact O-CB 3.21Å; N40-T54 WeakPolarHBondContact O-CG2 3.42Å
41	A	84.9	Confident	87.2	Confident	11 Å²	11	65.7 Å²	65.7	9%	0.091	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-82.7	155.3	175.6	0	0	0	0	0	111.6	Q36 T38	Q36-A41 HydrophobicContact CB-CB 3.79Å; Q36-A41 WeakPolarHBondContact O-CB 3.48Å; T38-A41 PolarHBondContact O-N 3.3Å; T38-A41 WeakPolarHBondContact OG1-CB 3.41Å
42	C	93.3	Very high	88.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-75.7	141.3	171.2	-61.5	0	0	0	0	110.7	F32 E33 N35 C44 N50 C51	F32-C42 HydrophobicContact CE2-CB 4.12Å; E33-C42 PolarHBondContact O-N 3.45Å; N35-C42 PolarHBondContact N-O 3.13Å; C42-C44 VanDerWaalsContact CB-SG 3.54Å; C42-N50 CarbonylContact C-O 3.53Å; C42-N50 VanDerWaalsContact CA-O 3.3Å; C42-N50 WeakPolarHBondContact CA-O 3.3Å; C42-C51 HydrophobicContact CB-CB 4.13Å; C42-C51 WeakPolarHBondContact CB-SG 3.34Å; C42-C51 WeakPolarHBondContact SG-CB 3.35Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 3.39Å
43	H	93.9	Very high	89.3	Confident	127 Å²	127	66 Å²	66	59%	0.588	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.5	166.7	-65.2	-66.9	0	0	0	109.4	N50	H43-N50 HydrophobicContact CB-CB 4.45Å; H43-N50 PolarHBondContact N-O 3.47Å; H43-N50 PolarHBondContact O-N 2.87Å
44	C	94.8	Very high	89.9	Confident	15 Å²	15	61.9 Å²	61.9	10%	0.101	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.2	-168.5	-47.7	0	0	0	0	111.7	C34 N35 C42 V49 Y69	C34-C44 HydrophobicContact CB-CB 3.58Å; C34-C44 WeakPolarHBondContact CB-SG 3.31Å; C34-C44 WeakPolarHBondContact SG-CB 3.34Å; C34-C44 CovalentContact SG-SG 2.03Å; C34-C44 PolarHBondContact SG-SG 2.95Å; N35-C44 PolarHBondContact ND2-O 3.08Å; N35-C44 PolarHBondContact OD1-N 3.4Å; C42-C44 VanDerWaalsContact CB-SG 3.54Å; C44-V49 HydrophobicContact CB-CG2 4.17Å; C44-Y69 HydrophobicContact CB-CE1 4.07Å; C44-Y69 HydrophobicContact CB-CE2 4.21Å; C44-Y69 WeakPolarHBondContact CB-OH 3.41Å
45	S	94.1	Very high	90	Very high	49 Å²	49	62.6 Å²	62.6	34%	0.343	37%	0.367	S	S	.	.			trans	-128.7	175.1	170	65.3	0	0	0	0	108.6	V47 I48 Y69	S45-V47 PolarHBondContact O-N 3.24Å; S45-I48 PolarHBondContact N-O 2.99Å; S45-I48 WeakPolarHBondContact OG-CA 3.35Å; S45-I48 WeakPolarHBondContact OG-CB 3.3Å; S45-I48 PolarHBondContact OG-N 3.02Å; S45-I48 PolarHBondContact OG-O 2.95Å; S45-Y69 WeakPolarHBondContact O-CD1 3.47Å; S45-Y69 WeakPolarHBondContact O-CE1 3.42Å
46	T	91.5	Very high	90.3	Very high	105 Å²	105	58 Å²	58	64%	0.644	34%	0.342	S	S	*	.	S	Bend	trans	-61.3	-24.5	177.5	50.4	0	0	0	0	113.8	S71	T46-S71 CarbonylContact O-C 3.12Å
47	V	95.7	Very high	90.7	Very high	67 Å²	67	57.5 Å²	57.5	41%	0.406	35%	0.345	S	S	.	.	S	Bend	trans	-118.9	-21.1	-172.8	-72.3	0	0	0	0	114.1	S45 N73 T74	S45-V47 PolarHBondContact O-N 3.24Å; V47-N73 HydrophobicContact CB-CB 4.4Å; V47-N73 WeakPolarHBondContact O-CA 3.19Å; V47-N73 WeakPolarHBondContact O-CB 3.4Å; V47-N73 PolarHBondContact O-N 3.31Å; V47-T74 PolarHBondContact O-N 3.14Å
48	I	97.1	Very high	91.3	Very high	76 Å²	76	53.8 Å²	53.8	39%	0.39	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.3	-178.8	-54.9	173.5	0	0	0	109.3	S45 T74	S45-I48 PolarHBondContact N-O 2.99Å; S45-I48 WeakPolarHBondContact OG-CA 3.35Å; S45-I48 WeakPolarHBondContact OG-CB 3.3Å; S45-I48 PolarHBondContact OG-N 3.02Å; S45-I48 PolarHBondContact OG-O 2.95Å; I48-T74 WeakPolarHBondContact CA-O 3.46Å; I48-T74 HydrophobicContact CG2-CG2 4.31Å
49	V	96.7	Very high	92	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.4	167.4	170.4	0	0	0	0	107.9	F32 C44 I65 Y69 L72 T74 L75 L76	F32-V49 HydrophobicContact CE2-CG1 4.28Å; F32-V49 HydrophobicContact CZ-CG1 4.34Å; C44-V49 HydrophobicContact CB-CG2 4.17Å; V49-I65 HydrophobicContact CB-CG2 4.47Å; V49-I65 HydrophobicContact CG1-CD1 4.03Å; V49-I65 HydrophobicContact CG1-CG1 4.29Å; V49-I65 HydrophobicContact CG1-CG2 4.37Å; V49-I65 HydrophobicContact CG2-CG2 4.35Å; V49-Y69 HydrophobicContact CG2-CD1 4.18Å; V49-Y69 HydrophobicContact CG2-CD2 3.67Å; V49-Y69 HydrophobicContact CG2-CE1 4.44Å; V49-Y69 HydrophobicContact CG2-CE2 3.95Å; V49-Y69 HydrophobicContact CG2-CG 3.82Å; V49-L72 HydrophobicContact CB-CD1 3.87Å; V49-L72 HydrophobicContact CG2-CD1 3.65Å; V49-T74 PolarHBondContact N-O 3.41Å; V49-L75 HydrophobicContact CB-CD1 4.05Å; V49-L75 HydrophobicContact CG1-CD1 3.98Å; V49-L76 PolarHBondContact O-N 2.73Å
50	N	96.6	Very high	92.9	Very high	49 Å²	49	46 Å²	46	26%	0.262	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	109.2	179.9	-178.3	-1.3	0	0	0	110.5	C42 H43 T52 L76	C42-N50 CarbonylContact C-O 3.53Å; C42-N50 VanDerWaalsContact CA-O 3.3Å; C42-N50 WeakPolarHBondContact CA-O 3.3Å; H43-N50 HydrophobicContact CB-CB 4.45Å; H43-N50 PolarHBondContact N-O 3.47Å; H43-N50 PolarHBondContact O-N 2.87Å; N50-T52 VanDerWaalsContact OD1-CB 3.27Å; N50-T52 WeakPolarHBondContact OD1-CB 3.25Å; N50-T52 PolarHBondContact OD1-N 3.17Å; N50-T52 PolarHBondContact OD1-OG1 3.08Å; N50-L76 HydrophobicContact CB-CB 4.19Å; N50-L76 HydrophobicContact CB-CD1 4.13Å
51	C	96.1	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.244	C	C	.	.			trans	-116.4	37.6	176.8	-57.4	0	0	0	0	111	C42 T54 Y56 L76 M77 N80	C42-C51 HydrophobicContact CB-CB 4.13Å; C42-C51 WeakPolarHBondContact CB-SG 3.34Å; C42-C51 WeakPolarHBondContact SG-CB 3.35Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 3.39Å; C51-T54 HydrophobicContact CB-CG2 4.12Å; C51-T54 WeakPolarHBondContact O-CG2 3.43Å; C51-T54 PolarHBondContact O-OG1 3.34Å; C51-Y56 HydrophobicContact CB-CD2 4.15Å; C51-Y56 HydrophobicContact CB-CE2 3.85Å; C51-L76 PolarHBondContact N-O 3.3Å; C51-M77 HydrophobicContact CB-CE 4.07Å; C51-M77 HydrophobicContact CB-SD 3.56Å; C51-M77 VanDerWaalsContact CB-SD 3.56Å; C51-N80 PolarHBondContact O-ND2 3.48Å
52	T	95.5	Very high	93.9	Very high	53 Å²	53	41.4 Å²	41.4	33%	0.325	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	135.7	-179.4	-61.3	0	0	0	0	111.5	N50 T54 A78	N50-T52 VanDerWaalsContact OD1-CB 3.27Å; N50-T52 WeakPolarHBondContact OD1-CB 3.25Å; N50-T52 PolarHBondContact OD1-N 3.17Å; N50-T52 PolarHBondContact OD1-OG1 3.08Å; T52-T54 VanDerWaalsContact C-N 3.25Å; T52-T54 PolarHBondContact O-N 3.16Å; T52-A78 CarbonylContact C-O 3.52Å; T52-A78 VanDerWaalsContact CA-O 3.23Å; T52-A78 WeakPolarHBondContact CA-O 3.44Å; T52-A78 HydrophobicContact CG2-CB 4.05Å
53	N	94.3	Very high	93.7	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	31.6	177.3	-61	-41.8	0	0	0	115	A55 A78 G79	N53-A55 VanDerWaalsContact C-N 3.33Å; N53-A78 PolarHBondContact N-O 2.92Å; N53-G79 WeakPolarHBondContact OD1-CA 3.22Å
54	T	92.5	Very high	93.5	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.043	24%	0.238	C	C	.	.	S	Bend	trans	-90.8	0.7	-178.4	52.6	0	0	0	0	113.2	N40 C51 T52 Y56 N80	N40-T54 WeakPolarHBondContact O-CB 3.21Å; N40-T54 WeakPolarHBondContact O-CG2 3.42Å; C51-T54 HydrophobicContact CB-CG2 4.12Å; C51-T54 WeakPolarHBondContact O-CG2 3.43Å; C51-T54 PolarHBondContact O-OG1 3.34Å; T52-T54 VanDerWaalsContact C-N 3.25Å; T52-T54 PolarHBondContact O-N 3.16Å; T54-Y56 VanDerWaalsContact C-N 3.27Å; T54-Y56 HydrophobicContact CG2-CE2 4.49Å; T54-Y56 PolarHBondContact O-N 3.44Å; T54-Y56 WeakPolarHBondContact OG1-CD2 3.43Å; T54-Y56 WeakPolarHBondContact OG1-CE2 3.38Å; T54-N80 PolarHBondContact N-OD1 2.91Å; T54-N80 PolarHBondContact OG1-OD1 3.21Å
55	A	91.7	Very high	93.4	Very high	41 Å²	41	40.9 Å²	40.9	34%	0.339	23%	0.233	S	C	.	.			trans	62.8	24.6	-179.5	0	0	0	0	0	115	N53 T57 N80	N53-A55 VanDerWaalsContact C-N 3.33Å; A55-T57 PolarHBondContact O-N 3.28Å; A55-N80 PolarHBondContact N-OD1 2.87Å
56	Y	93.3	Very high	93.1	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	23%	0.229	C	C	.	.			trans	-57.7	139.5	173.2	-78.5	-65.3	0	0	0	111.7	V30 C51 T54 V61 M77 N80 R81 F82	V30-Y56 HydrophobicContact CB-CD1 4.13Å; V30-Y56 HydrophobicContact CB-CE1 3.82Å; V30-Y56 HydrophobicContact CG1-CD1 4.4Å; V30-Y56 HydrophobicContact CG1-CE1 3.74Å; C51-Y56 HydrophobicContact CB-CD2 4.15Å; C51-Y56 HydrophobicContact CB-CE2 3.85Å; T54-Y56 VanDerWaalsContact C-N 3.27Å; T54-Y56 HydrophobicContact CG2-CE2 4.49Å; T54-Y56 PolarHBondContact O-N 3.44Å; T54-Y56 WeakPolarHBondContact OG1-CD2 3.43Å; T54-Y56 WeakPolarHBondContact OG1-CE2 3.38Å; Y56-V61 HydrophobicContact CD1-CB 4.24Å; Y56-V61 HydrophobicContact CD1-CG1 4.48Å; Y56-V61 HydrophobicContact CD1-CG2 4.05Å; Y56-V61 HydrophobicContact CD2-CG2 4.42Å; Y56-V61 HydrophobicContact CE1-CB 4.32Å; Y56-V61 HydrophobicContact CE1-CG2 3.73Å; Y56-V61 HydrophobicContact CE2-CG2 4.17Å; Y56-V61 HydrophobicContact CG-CG1 4.46Å; Y56-V61 HydrophobicContact CG-CG2 4.41Å; Y56-M77 HydrophobicContact CD2-CE 4.05Å; Y56-N80 PolarHBondContact N-OD1 3.47Å; Y56-R81 CarbonylContact O-C 3.52Å; Y56-R81 WeakPolarHBondContact O-CA 3.44Å; Y56-R81 PolarHBondContact O-N 3.13Å; Y56-F82 VanDerWaalsContact CB-CZ 3.41Å; Y56-F82 HydrophobicContact CG-CZ 4.27Å
57	T	93.5	Very high	93	Very high	81 Å²	81	43.5 Å²	43.5	50%	0.497	23%	0.233	S	C	.	.			trans	-124.4	-36.4	173.5	50.9	0	0	0	0	110.9	A55 I59 R81	A55-T57 PolarHBondContact O-N 3.28Å; T57-I59 PolarHBondContact O-N 3.21Å; T57-R81 HydrophobicContact CG2-CB 3.64Å
58	D	92.2	Very high	92.7	Very high	53 Å²	53	43.6 Å²	43.6	28%	0.283	24%	0.237	S	C	.	.			trans	-70.3	118.6	178.4	173.4	45	0	0	0	112.1	G60 V61 R64 F82	D58-G60 VanDerWaalsContact CG-N 3.32Å; D58-G60 PolarHBondContact O-N 2.93Å; D58-G60 PolarHBondContact OD1-N 3.47Å; D58-G60 WeakPolarHBondContact OD2-CA 3.23Å; D58-G60 PolarHBondContact OD2-N 2.9Å; D58-V61 WeakPolarHBondContact O-CG1 3.19Å; D58-V61 PolarHBondContact O-N 2.95Å; D58-V61 PolarHBondContact OD2-N 3.44Å; D58-R64 IonicContact OD2-CZ 2.73Å; D58-R64 IonicContact OD2-NH1 2.99Å; D58-R64 PolarHBondContact OD2-NH1 3.1Å; D58-R64 IonicContact OD2-NH2 3.47Å; D58-R64 PolarHBondContact OD2-NH2 3.17Å; D58-F82 WeakPolarHBondContact O-CE1 3.25Å
59	I	93.2	Very high	92.5	Very high	29 Å²	29	42 Å²	42	15%	0.149	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.5	175.2	59.8	-179.6	0	0	0	112.9	T57 V61 F62 F82 L84 R86 L89	T57-I59 PolarHBondContact O-N 3.21Å; I59-V61 PolarHBondContact O-N 3.08Å; I59-V61 VanDerWaalsContact O-N 3.08Å; I59-F62 WeakPolarHBondContact O-CD2 3.31Å; I59-F62 PolarHBondContact O-N 2.78Å; I59-F82 HydrophobicContact CG2-CD1 4.11Å; I59-L84 VanDerWaalsContact CG2-O 3.27Å; I59-L84 WeakPolarHBondContact CG2-O 3.04Å; I59-R86 HydrophobicContact CD1-CB 3.94Å; I59-R86 HydrophobicContact CD1-CG 3.71Å; I59-L89 HydrophobicContact CB-CD1 4.34Å
60	G	90.9	Very high	92.1	Very high	9 Å²	9	46.3 Å²	46.3	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-19.5	174.1	0	0	0	0	0	113.4	D58 F62 E63 R64	D58-G60 VanDerWaalsContact CG-N 3.32Å; D58-G60 PolarHBondContact O-N 2.93Å; D58-G60 PolarHBondContact OD1-N 3.47Å; D58-G60 WeakPolarHBondContact OD2-CA 3.23Å; D58-G60 PolarHBondContact OD2-N 2.9Å; G60-F62 PolarHBondContact O-N 2.9Å; G60-E63 PolarHBondContact O-N 3.4Å; G60-R64 VanDerWaalsContact C-NH1 3.26Å; G60-R64 PolarHBondContact O-N 2.85Å; G60-R64 VanDerWaalsContact O-N 3.16Å; G60-R64 PolarHBondContact O-NH1 3.19Å
61	V	92.7	Very high	91.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-35.1	175	72.6	0	0	0	0	112.9	F32 Y56 D58 I59 E63 R64 I65 M77 F82	F32-V61 HydrophobicContact CB-CG2 4.21Å; F32-V61 HydrophobicContact CD2-CG2 3.79Å; F32-V61 HydrophobicContact CG-CG2 4.29Å; Y56-V61 HydrophobicContact CD1-CB 4.24Å; Y56-V61 HydrophobicContact CD1-CG1 4.48Å; Y56-V61 HydrophobicContact CD1-CG2 4.05Å; Y56-V61 HydrophobicContact CD2-CG2 4.42Å; Y56-V61 HydrophobicContact CE1-CB 4.32Å; Y56-V61 HydrophobicContact CE1-CG2 3.73Å; Y56-V61 HydrophobicContact CE2-CG2 4.17Å; Y56-V61 HydrophobicContact CG-CG1 4.46Å; Y56-V61 HydrophobicContact CG-CG2 4.41Å; D58-V61 WeakPolarHBondContact O-CG1 3.19Å; D58-V61 PolarHBondContact O-N 2.95Å; D58-V61 PolarHBondContact OD2-N 3.44Å; I59-V61 PolarHBondContact O-N 3.08Å; I59-V61 VanDerWaalsContact O-N 3.08Å; V61-E63 PolarHBondContact O-N 3.45Å; V61-R64 PolarHBondContact O-N 3.15Å; V61-I65 HydrophobicContact CG2-CD1 3.96Å; V61-I65 HydrophobicContact CG2-CG1 4.4Å; V61-I65 WeakPolarHBondContact O-CB 3.37Å; V61-I65 VanDerWaalsContact O-CG1 3.25Å; V61-I65 WeakPolarHBondContact O-CG1 3.03Å; V61-I65 PolarHBondContact O-N 3.05Å; V61-M77 HydrophobicContact CG1-CE 3.85Å; V61-F82 HydrophobicContact CG1-CE1 3.88Å; V61-F82 HydrophobicContact CG1-CZ 3.74Å
62	F	93.2	Very high	91.9	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-38.9	179.7	-68.3	-84.1	0	0	0	111.8	I59 G60 I65 H66 L75 M77 F82 L89 F90 L104	I59-F62 WeakPolarHBondContact O-CD2 3.31Å; I59-F62 PolarHBondContact O-N 2.78Å; G60-F62 PolarHBondContact O-N 2.9Å; F62-I65 PolarHBondContact O-N 3.49Å; F62-H66 WeakPolarHBondContact O-CB 3.26Å; F62-H66 PolarHBondContact O-N 3.3Å; F62-L75 HydrophobicContact CD1-CD2 3.8Å; F62-L75 HydrophobicContact CE1-CD2 3.98Å; F62-M77 HydrophobicContact CE1-CB 4.45Å; F62-M77 HydrophobicContact CE1-CE 4.41Å; F62-M77 HydrophobicContact CE1-CG 3.76Å; F62-M77 HydrophobicContact CZ-CB 4.37Å; F62-M77 HydrophobicContact CZ-CE 4.22Å; F62-M77 HydrophobicContact CZ-CG 4.08Å; F62-F82 HydrophobicContact CD2-CE1 4.49Å; F62-F82 HydrophobicContact CE2-CD1 4.01Å; F62-F82 HydrophobicContact CE2-CD2 4.25Å; F62-F82 AromaticContact CE2-CE1 3.67Å; F62-F82 HydrophobicContact CE2-CE1 3.67Å; F62-F82 AromaticContact CE2-CE2 3.97Å; F62-F82 HydrophobicContact CE2-CE2 3.97Å; F62-F82 HydrophobicContact CE2-CG 4.3Å; F62-F82 AromaticContact CE2-CZ 3.66Å; F62-F82 HydrophobicContact CE2-CZ 3.66Å; F62-F82 HydrophobicContact CZ-CD2 4.16Å; F62-F82 HydrophobicContact CZ-CE1 4.38Å; F62-F82 AromaticContact CZ-CE2 3.84Å; F62-F82 HydrophobicContact CZ-CE2 3.84Å; F62-F82 AromaticContact CZ-CZ 3.94Å; F62-F82 HydrophobicContact CZ-CZ 3.94Å; F62-L89 HydrophobicContact CB-CD1 3.77Å; F62-L89 HydrophobicContact CB-CD2 4.24Å; F62-L89 HydrophobicContact CB-CG 3.84Å; F62-L89 HydrophobicContact CD2-CD1 4.17Å; F62-L89 HydrophobicContact CD2-CD2 3.74Å; F62-L89 HydrophobicContact CD2-CG 4.24Å; F62-L89 HydrophobicContact CE2-CD2 4.23Å; F62-L89 HydrophobicContact CG-CD1 4.26Å; F62-L89 HydrophobicContact CG-CD2 3.93Å; F62-L89 HydrophobicContact CG-CG 4.1Å; F62-F90 HydrophobicContact CB-CE1 4.43Å; F62-F90 AromaticContact CD1-CE1 3.52Å; F62-F90 HydrophobicContact CD1-CE1 3.52Å; F62-F90 AromaticContact CD1-CZ 3.64Å; F62-F90 HydrophobicContact CD1-CZ 3.64Å; F62-F90 HydrophobicContact CE1-CE1 4.11Å; F62-F90 AromaticContact CE1-CZ 3.89Å; F62-F90 HydrophobicContact CE1-CZ 3.89Å; F62-F90 HydrophobicContact CG-CE1 4.26Å; F62-F90 HydrophobicContact CG-CZ 4.33Å; F62-L104 HydrophobicContact CE1-CD2 4.04Å; F62-L104 HydrophobicContact CZ-CD2 3.66Å
63	E	88.8	Confident	91.9	Very high	64 Å²	64	48.2 Å²	48.2	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-41.8	175.9	-69.2	177.6	172.5	0	0	111.6	G60 V61 I65 H66 Q67 R86	G60-E63 PolarHBondContact O-N 3.4Å; V61-E63 PolarHBondContact O-N 3.45Å; E63-I65 VanDerWaalsContact C-N 3.33Å; E63-I65 PolarHBondContact O-N 3.24Å; E63-H66 PolarHBondContact O-N 2.99Å; E63-Q67 VanDerWaalsContact O-CG 3.31Å; E63-Q67 WeakPolarHBondContact O-CG 3.33Å; E63-Q67 PolarHBondContact O-N 3.16Å; E63-R86 IonicContact OE1-CZ 3.53Å; E63-R86 IonicContact OE1-NE 3.81Å; E63-R86 IonicContact OE1-NH2 2.63Å; E63-R86 PolarHBondContact OE1-NH2 3.14Å; E63-R86 IonicContact OE2-NH2 2.93Å; E63-R86 PolarHBondContact OE2-NH2 3.26Å
64	R	89.6	Confident	92.1	Very high	66 Å²	66	44.1 Å²	44.1	25%	0.249	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-42.1	175.1	-66.7	-169.7	-66.8	-84.1	8.2	111.6	F32 D58 G60 V61 S68	F32-R64 HydrophobicContact CB-CB 4.38Å; F32-R64 HydrophobicContact CD1-CB 4.45Å; D58-R64 IonicContact OD2-CZ 2.73Å; D58-R64 IonicContact OD2-NH1 2.99Å; D58-R64 PolarHBondContact OD2-NH1 3.1Å; D58-R64 IonicContact OD2-NH2 3.47Å; D58-R64 PolarHBondContact OD2-NH2 3.17Å; G60-R64 VanDerWaalsContact C-NH1 3.26Å; G60-R64 PolarHBondContact O-N 2.85Å; G60-R64 VanDerWaalsContact O-N 3.16Å; G60-R64 PolarHBondContact O-NH1 3.19Å; V61-R64 PolarHBondContact O-N 3.15Å; R64-S68 WeakPolarHBondContact O-CB 3.38Å; R64-S68 PolarHBondContact O-N 3.06Å; R64-S68 VanDerWaalsContact O-N 3.08Å; R64-S68 PolarHBondContact O-OG 3.44Å
65	I	92.3	Very high	92.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-49.1	174.7	-72.8	167.2	0	0	0	110.4	F32 V49 V61 F62 E63 Q67 S68 Y69 L72 L75 M77	F32-I65 HydrophobicContact CD2-CD1 4.25Å; F32-I65 HydrophobicContact CD2-CG1 3.87Å; F32-I65 HydrophobicContact CE1-CG1 4.06Å; F32-I65 HydrophobicContact CE2-CD1 3.77Å; F32-I65 HydrophobicContact CE2-CG1 3.34Å; F32-I65 HydrophobicContact CG-CG1 4.43Å; F32-I65 HydrophobicContact CZ-CB 4.49Å; F32-I65 HydrophobicContact CZ-CD1 4.31Å; F32-I65 HydrophobicContact CZ-CG1 3.43Å; F32-I65 VanDerWaalsContact CZ-CG1 3.43Å; V49-I65 HydrophobicContact CB-CG2 4.47Å; V49-I65 HydrophobicContact CG1-CD1 4.03Å; V49-I65 HydrophobicContact CG1-CG1 4.29Å; V49-I65 HydrophobicContact CG1-CG2 4.37Å; V49-I65 HydrophobicContact CG2-CG2 4.35Å; V61-I65 HydrophobicContact CG2-CD1 3.96Å; V61-I65 HydrophobicContact CG2-CG1 4.4Å; V61-I65 WeakPolarHBondContact O-CB 3.37Å; V61-I65 VanDerWaalsContact O-CG1 3.25Å; V61-I65 WeakPolarHBondContact O-CG1 3.03Å; V61-I65 PolarHBondContact O-N 3.05Å; F62-I65 PolarHBondContact O-N 3.49Å; E63-I65 VanDerWaalsContact C-N 3.33Å; E63-I65 PolarHBondContact O-N 3.24Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.3Å; I65-S68 PolarHBondContact O-N 2.86Å; I65-S68 VanDerWaalsContact O-N 3.15Å; I65-Y69 HydrophobicContact CG2-CD2 4.44Å; I65-Y69 PolarHBondContact O-N 3.25Å; I65-L72 HydrophobicContact CG2-CD2 3.52Å; I65-L75 HydrophobicContact CD1-CD1 3.99Å; I65-L75 HydrophobicContact CG2-CD1 4.28Å; I65-M77 HydrophobicContact CD1-CE 4.35Å; I65-M77 HydrophobicContact CD1-SD 4.09Å
66	H	88.7	Confident	92.6	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.255	24%	0.238	S	C	.	.	H	α-helix	trans	-57.8	-45	179.7	171.5	51.5	0	0	0	112.2	F62 E63 S68 D96 L97	F62-H66 WeakPolarHBondContact O-CB 3.26Å; F62-H66 PolarHBondContact O-N 3.3Å; E63-H66 PolarHBondContact O-N 2.99Å; H66-S68 VanDerWaalsContact C-N 3.33Å; H66-S68 PolarHBondContact O-N 3.09Å; H66-D96 PolarHBondContact CE1-O 3.24Å; H66-L97 HydrophobicContact CB-CD1 4.39Å; H66-L97 HydrophobicContact CB-CD2 4.45Å; H66-L97 WeakPolarHBondContact ND1-CD2 3.43Å; H66-L97 VanDerWaalsContact ND1-CG 3.26Å; H66-L97 WeakPolarHBondContact ND1-CG 3.49Å
67	Q	87.7	Confident	92.8	Very high	153 Å²	153	43.5 Å²	43.5	72%	0.715	24%	0.238	S	C	*	.	H	α-helix	trans	-65	-35.5	177.4	-71.2	172.8	5.5	0	0	112.8	E63 I65	E63-Q67 VanDerWaalsContact O-CG 3.31Å; E63-Q67 WeakPolarHBondContact O-CG 3.33Å; E63-Q67 PolarHBondContact O-N 3.16Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.3Å
68	S	91	Very high	93.1	Very high	70 Å²	70	40.1 Å²	40.1	49%	0.49	22%	0.217	S	C	.	.	H	α-helix	trans	-84.4	-27.8	-176.1	-55.5	0	0	0	0	113.3	R64 I65 H66	R64-S68 WeakPolarHBondContact O-CB 3.38Å; R64-S68 PolarHBondContact O-N 3.06Å; R64-S68 VanDerWaalsContact O-N 3.08Å; R64-S68 PolarHBondContact O-OG 3.44Å; I65-S68 PolarHBondContact O-N 2.86Å; I65-S68 VanDerWaalsContact O-N 3.15Å; H66-S68 VanDerWaalsContact C-N 3.33Å; H66-S68 PolarHBondContact O-N 3.09Å
69	Y	92.2	Very high	93.3	Very high	42 Å²	42	38.3 Å²	38.3	17%	0.165	21%	0.211	C	C	.	.			trans	-130.1	72.9	-173	-61.9	-81.9	0	0	0	111.5	F32 C34 C44 S45 V49 I65 S71 L72	F32-Y69 HydrophobicContact CE1-CD2 4.49Å; F32-Y69 AromaticContact CE1-CE2 3.83Å; F32-Y69 HydrophobicContact CE1-CE2 3.83Å; F32-Y69 HydrophobicContact CZ-CD2 4.38Å; F32-Y69 AromaticContact CZ-CE2 3.78Å; F32-Y69 HydrophobicContact CZ-CE2 3.78Å; C34-Y69 PolarHBondContact SG-OH 3.49Å; C44-Y69 HydrophobicContact CB-CE1 4.07Å; C44-Y69 HydrophobicContact CB-CE2 4.21Å; C44-Y69 WeakPolarHBondContact CB-OH 3.41Å; S45-Y69 WeakPolarHBondContact O-CD1 3.47Å; S45-Y69 WeakPolarHBondContact O-CE1 3.42Å; V49-Y69 HydrophobicContact CG2-CD1 4.18Å; V49-Y69 HydrophobicContact CG2-CD2 3.67Å; V49-Y69 HydrophobicContact CG2-CE1 4.44Å; V49-Y69 HydrophobicContact CG2-CE2 3.95Å; V49-Y69 HydrophobicContact CG2-CG 3.82Å; I65-Y69 HydrophobicContact CG2-CD2 4.44Å; I65-Y69 PolarHBondContact O-N 3.25Å; Y69-S71 PolarHBondContact O-N 3.41Å; Y69-L72 WeakPolarHBondContact O-CB 3.47Å; Y69-L72 PolarHBondContact O-N 3.02Å; Y69-L72 VanDerWaalsContact O-N 3.14Å
70	P	89.3	Confident	93.4	Very high	90 Å²	90	37.2 Å²	37.2	58%	0.584	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.5	-177.4	26.1	-35.3	0	0	0	114	P98	P70-P98 WeakPolarHBondContact O-CD 3.47Å; P70-P98 WeakPolarHBondContact O-CG 3.39Å
71	S	92	Very high	93.7	Very high	77 Å²	77	44.2 Å²	44.2	54%	0.538	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	14.4	176.3	-57.6	0	0	0	0	113.7	T46 Y69 N73	T46-S71 CarbonylContact O-C 3.12Å; Y69-S71 PolarHBondContact O-N 3.41Å; S71-N73 PolarHBondContact O-N 3.44Å
72	L	94.4	Very high	93.9	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	23%	0.23	C	C	.	.			trans	-62	122.6	-174.9	-175	66.5	0	0	0	111.7	V49 I65 Y69 T74 L75 P98 L99	V49-L72 HydrophobicContact CB-CD1 3.87Å; V49-L72 HydrophobicContact CG2-CD1 3.65Å; I65-L72 HydrophobicContact CG2-CD2 3.52Å; Y69-L72 WeakPolarHBondContact O-CB 3.47Å; Y69-L72 PolarHBondContact O-N 3.02Å; Y69-L72 VanDerWaalsContact O-N 3.14Å; L72-T74 VanDerWaalsContact CD1-O 3.32Å; L72-T74 WeakPolarHBondContact CD1-O 3.27Å; L72-L75 HydrophobicContact CD2-CB 4.07Å; L72-L75 HydrophobicContact CD2-CD1 4.32Å; L72-L75 HydrophobicContact CD2-CD2 4.36Å; L72-L75 HydrophobicContact CD2-CG 4.48Å; L72-P98 CarbonylContact O-C 3.39Å; L72-L99 HydrophobicContact CD2-CD1 4.04Å; L72-L99 HydrophobicContact CG-CD1 3.85Å; L72-L99 WeakPolarHBondContact O-CA 3.42Å; L72-L99 PolarHBondContact O-N 3.28Å
73	N	96.6	Very high	94.1	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	26%	0.256	S	S	.	.			trans	-102.2	-39.2	178.5	178	-86.5	0	0	0	112	V47 S71 L99 V100 Q101	V47-N73 HydrophobicContact CB-CB 4.4Å; V47-N73 WeakPolarHBondContact O-CA 3.19Å; V47-N73 WeakPolarHBondContact O-CB 3.4Å; V47-N73 PolarHBondContact O-N 3.31Å; S71-N73 PolarHBondContact O-N 3.44Å; N73-L99 WeakPolarHBondContact O-CD1 3.5Å; N73-V100 WeakPolarHBondContact ND2-CB 3.46Å; N73-V100 WeakPolarHBondContact ND2-CG2 3.4Å; N73-V100 PolarHBondContact O-N 3.21Å; N73-Q101 PolarHBondContact O-N 3.29Å
74	T	98.2	Very high	94.4	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.6	-177.2	-61.4	0	0	0	0	110.9	V47 I48 V49 L72 L76 Q101	V47-T74 PolarHBondContact O-N 3.14Å; I48-T74 WeakPolarHBondContact CA-O 3.46Å; I48-T74 HydrophobicContact CG2-CG2 4.31Å; V49-T74 PolarHBondContact N-O 3.41Å; L72-T74 VanDerWaalsContact CD1-O 3.32Å; L72-T74 WeakPolarHBondContact CD1-O 3.27Å; T74-L76 HydrophobicContact CG2-CD2 3.68Å; T74-L76 HydrophobicContact CG2-CG 3.94Å; T74-Q101 WeakPolarHBondContact CA-O 3.4Å; T74-Q101 HydrophobicContact CG2-CB 4.1Å; T74-Q101 HydrophobicContact CG2-CG 4.18Å
75	L	97.8	Very high	94.7	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.5	178.3	-179.8	52.4	0	0	0	110	V49 F62 I65 L72 M77 F90 L99 Q101 L102 D103	V49-L75 HydrophobicContact CB-CD1 4.05Å; V49-L75 HydrophobicContact CG1-CD1 3.98Å; F62-L75 HydrophobicContact CD1-CD2 3.8Å; F62-L75 HydrophobicContact CE1-CD2 3.98Å; I65-L75 HydrophobicContact CD1-CD1 3.99Å; I65-L75 HydrophobicContact CG2-CD1 4.28Å; L72-L75 HydrophobicContact CD2-CB 4.07Å; L72-L75 HydrophobicContact CD2-CD1 4.32Å; L72-L75 HydrophobicContact CD2-CD2 4.36Å; L72-L75 HydrophobicContact CD2-CG 4.48Å; L75-M77 HydrophobicContact CD1-CG 3.72Å; L75-M77 HydrophobicContact CD1-SD 3.61Å; L75-M77 HydrophobicContact CD2-CG 4.27Å; L75-M77 HydrophobicContact CG-CG 3.71Å; L75-M77 HydrophobicContact CG-SD 4.29Å; L75-F90 HydrophobicContact CD2-CE1 4.17Å; L75-L99 HydrophobicContact CB-CD1 3.65Å; L75-L99 HydrophobicContact CB-CD2 4.21Å; L75-Q101 PolarHBondContact N-O 3.2Å; L75-L102 HydrophobicContact CB-CD1 4.11Å; L75-L102 HydrophobicContact CD2-CD1 3.96Å; L75-L102 HydrophobicContact CG-CD1 4.02Å; L75-D103 PolarHBondContact O-N 3.44Å
76	L	98.1	Very high	94.8	Very high	36 Å²	36	50 Å²	50	19%	0.188	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	106.6	-179.8	-49.5	178.1	0	0	0	110.1	V49 N50 C51 T74 D103	V49-L76 PolarHBondContact O-N 2.73Å; N50-L76 HydrophobicContact CB-CB 4.19Å; N50-L76 HydrophobicContact CB-CD1 4.13Å; C51-L76 PolarHBondContact N-O 3.3Å; T74-L76 HydrophobicContact CG2-CD2 3.68Å; T74-L76 HydrophobicContact CG2-CG 3.94Å; L76-D103 HydrophobicContact CD2-CB 3.72Å
77	M	97.4	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.			trans	-121.1	25.1	-176.4	-60.1	-61.7	-68.5	0	0	111.6	C51 Y56 V61 F62 I65 L75 N80 F82 D103 L104 N107	C51-M77 HydrophobicContact CB-CE 4.07Å; C51-M77 HydrophobicContact CB-SD 3.56Å; C51-M77 VanDerWaalsContact CB-SD 3.56Å; Y56-M77 HydrophobicContact CD2-CE 4.05Å; V61-M77 HydrophobicContact CG1-CE 3.85Å; F62-M77 HydrophobicContact CE1-CB 4.45Å; F62-M77 HydrophobicContact CE1-CE 4.41Å; F62-M77 HydrophobicContact CE1-CG 3.76Å; F62-M77 HydrophobicContact CZ-CB 4.37Å; F62-M77 HydrophobicContact CZ-CE 4.22Å; F62-M77 HydrophobicContact CZ-CG 4.08Å; I65-M77 HydrophobicContact CD1-CE 4.35Å; I65-M77 HydrophobicContact CD1-SD 4.09Å; L75-M77 HydrophobicContact CD1-CG 3.72Å; L75-M77 HydrophobicContact CD1-SD 3.61Å; L75-M77 HydrophobicContact CD2-CG 4.27Å; L75-M77 HydrophobicContact CG-CG 3.71Å; L75-M77 HydrophobicContact CG-SD 4.29Å; M77-N80 VanDerWaalsContact C-ND2 3.32Å; M77-N80 PolarHBondContact O-ND2 3.2Å; M77-F82 HydrophobicContact CB-CE2 4.11Å; M77-F82 HydrophobicContact CE-CE2 3.65Å; M77-F82 HydrophobicContact CE-CZ 3.48Å; M77-F82 VanDerWaalsContact CE-CZ 3.48Å; M77-D103 CarbonylContact C-O 3.33Å; M77-D103 WeakPolarHBondContact CA-O 3.41Å; M77-D103 WeakPolarHBondContact CB-O 3.18Å; M77-D103 PolarHBondContact N-O 3.36Å; M77-L104 HydrophobicContact CB-CD2 3.95Å; M77-N107 PolarHBondContact O-ND2 3.17Å
78	A	98.1	Very high	95.2	Very high	9 Å²	9	45.4 Å²	45.4	7%	0.074	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	147.6	-178.5	0	0	0	0	0	112.7	T52 N53 N80 D103 R105	T52-A78 CarbonylContact C-O 3.52Å; T52-A78 VanDerWaalsContact CA-O 3.23Å; T52-A78 WeakPolarHBondContact CA-O 3.44Å; T52-A78 HydrophobicContact CG2-CB 4.05Å; N53-A78 PolarHBondContact N-O 2.92Å; A78-N80 VanDerWaalsContact C-N 3.29Å; A78-N80 PolarHBondContact O-N 3.46Å; A78-N80 PolarHBondContact O-ND2 3.29Å; A78-D103 PolarHBondContact N-O 3.43Å; A78-R105 CarbonylContact C-O 3.41Å; A78-R105 VanDerWaalsContact CA-O 3.22Å; A78-R105 WeakPolarHBondContact CA-O 3.3Å; A78-R105 HydrophobicContact CB-CG 3.55Å
79	G	97.1	Very high	95.3	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	20.8	171	0	0	0	0	0	115	N53 R105 N106	N53-G79 WeakPolarHBondContact OD1-CA 3.22Å; G79-R105 PolarHBondContact N-O 2.9Å; G79-N106 CarbonylContact C-O 2.97Å; G79-N106 WeakPolarHBondContact CA-O 3.3Å; G79-N106 PolarHBondContact N-O 3.38Å
80	N	96.1	Very high	95.2	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	21%	0.206	C	C	.	.			trans	-94.9	-166.6	175.7	-73.8	-61.6	0	0	0	110.6	C51 T54 A55 Y56 M77 A78 F82 N107	C51-N80 PolarHBondContact O-ND2 3.48Å; T54-N80 PolarHBondContact N-OD1 2.91Å; T54-N80 PolarHBondContact OG1-OD1 3.21Å; A55-N80 PolarHBondContact N-OD1 2.87Å; Y56-N80 PolarHBondContact N-OD1 3.47Å; M77-N80 VanDerWaalsContact C-ND2 3.32Å; M77-N80 PolarHBondContact O-ND2 3.2Å; A78-N80 VanDerWaalsContact C-N 3.29Å; A78-N80 PolarHBondContact O-N 3.46Å; A78-N80 PolarHBondContact O-ND2 3.29Å; N80-F82 HydrophobicContact CB-CD2 3.81Å; N80-F82 HydrophobicContact CB-CE2 3.6Å; N80-F82 HydrophobicContact CB-CZ 4.36Å; N80-N107 VanDerWaalsContact CA-OD1 3.22Å; N80-N107 WeakPolarHBondContact CA-OD1 3.12Å; N80-N107 WeakPolarHBondContact CB-OD1 3.22Å; N80-N107 PolarHBondContact N-OD1 2.99Å; N80-N107 PolarHBondContact O-OD1 3.03Å
81	R	96.2	Very high	95.1	Very high	157 Å²	157	36.4 Å²	36.4	59%	0.592	18%	0.181	S	C	*	.			trans	-123.7	29.9	-176.5	-60.3	-179.7	-171.7	-167.9	3.3	111.5	Y56 T57 K83 N107	Y56-R81 CarbonylContact O-C 3.52Å; Y56-R81 WeakPolarHBondContact O-CA 3.44Å; Y56-R81 PolarHBondContact O-N 3.13Å; T57-R81 HydrophobicContact CG2-CB 3.64Å; R81-K83 PolarHBondContact O-N 2.86Å; R81-N107 PolarHBondContact N-OD1 2.03Å
82	F	97.4	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.186	C	C	.	.			trans	-61.3	135.1	174.4	-61.9	-61	0	0	0	109.9	Y56 D58 I59 V61 F62 M77 N80 N107 S108 I109	Y56-F82 VanDerWaalsContact CB-CZ 3.41Å; Y56-F82 HydrophobicContact CG-CZ 4.27Å; D58-F82 WeakPolarHBondContact O-CE1 3.25Å; I59-F82 HydrophobicContact CG2-CD1 4.11Å; V61-F82 HydrophobicContact CG1-CE1 3.88Å; V61-F82 HydrophobicContact CG1-CZ 3.74Å; F62-F82 HydrophobicContact CD2-CE1 4.49Å; F62-F82 HydrophobicContact CE2-CD1 4.01Å; F62-F82 HydrophobicContact CE2-CD2 4.25Å; F62-F82 AromaticContact CE2-CE1 3.67Å; F62-F82 HydrophobicContact CE2-CE1 3.67Å; F62-F82 AromaticContact CE2-CE2 3.97Å; F62-F82 HydrophobicContact CE2-CE2 3.97Å; F62-F82 HydrophobicContact CE2-CG 4.3Å; F62-F82 AromaticContact CE2-CZ 3.66Å; F62-F82 HydrophobicContact CE2-CZ 3.66Å; F62-F82 HydrophobicContact CZ-CD2 4.16Å; F62-F82 HydrophobicContact CZ-CE1 4.38Å; F62-F82 AromaticContact CZ-CE2 3.84Å; F62-F82 HydrophobicContact CZ-CE2 3.84Å; F62-F82 AromaticContact CZ-CZ 3.94Å; F62-F82 HydrophobicContact CZ-CZ 3.94Å; M77-F82 HydrophobicContact CB-CE2 4.11Å; M77-F82 HydrophobicContact CE-CE2 3.65Å; M77-F82 HydrophobicContact CE-CZ 3.48Å; M77-F82 VanDerWaalsContact CE-CZ 3.48Å; N80-F82 HydrophobicContact CB-CD2 3.81Å; N80-F82 HydrophobicContact CB-CE2 3.6Å; N80-F82 HydrophobicContact CB-CZ 4.36Å; F82-N107 WeakPolarHBondContact CD2-OD1 3.04Å; F82-N107 PolarHBondContact N-OD1 3.1Å; F82-S108 CarbonylContact O-C 3.26Å; F82-S108 VanDerWaalsContact O-CA 3.3Å; F82-S108 WeakPolarHBondContact O-CA 3.04Å; F82-S108 PolarHBondContact O-N 3.04Å; F82-I109 HydrophobicContact CB-CG1 4.07Å; F82-I109 PolarHBondContact O-N 3.18Å
83	K	96.5	Very high	94	Very high	129 Å²	129	49.4 Å²	49.4	56%	0.561	22%	0.219	S	C	*	.			trans	-109.2	-32.5	-176	-74.3	-175.5	-175.3	175.5	0	113	R81 S108 I109 W110	R81-K83 PolarHBondContact O-N 2.86Å; K83-S108 WeakPolarHBondContact CA-O 3.12Å; K83-I109 WeakPolarHBondContact O-CA 3.18Å; K83-W110 PolarHBondContact O-N 3.07Å; K83-W110 PolarHBondContact O-NE1 2.91Å
84	L	95.6	Very high	92.9	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.236	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.1	-175	157.6	66.5	0	0	0	107.8	I59 T111 E113	I59-L84 VanDerWaalsContact CG2-O 3.27Å; I59-L84 WeakPolarHBondContact CG2-O 3.04Å; L84-T111 WeakPolarHBondContact CA-O 3Å; L84-T111 HydrophobicContact CB-CG2 3.78Å; L84-T111 HydrophobicContact CD1-CG2 3.35Å; L84-T111 HydrophobicContact CG-CG2 4.07Å; L84-E113 HydrophobicContact CD1-CG 3.76Å
85	L	96.4	Very high	91.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.3	160.5	-55.9	-178.6	0	0	0	108	L89 L104 I109 T111 I112 E113 A116	L85-L89 HydrophobicContact CD2-CD2 4.19Å; L85-L104 HydrophobicContact CD1-CD1 3.77Å; L85-L104 HydrophobicContact CD2-CD1 4.3Å; L85-I109 HydrophobicContact CD1-CD1 4.28Å; L85-I109 HydrophobicContact CD2-CD1 4.06Å; L85-I109 HydrophobicContact CG-CD1 4.16Å; L85-I109 HydrophobicContact CG-CG2 4.21Å; L85-T111 PolarHBondContact N-O 2.92Å; L85-T111 VanDerWaalsContact N-O 3.1Å; L85-I112 HydrophobicContact CB-CG1 4.45Å; L85-I112 HydrophobicContact CB-CG2 4.27Å; L85-I112 HydrophobicContact CD1-CD1 4.18Å; L85-I112 HydrophobicContact CD1-CG1 4Å; L85-I112 HydrophobicContact CD1-CG2 4.32Å; L85-I112 HydrophobicContact CG-CG1 4.33Å; L85-E113 PolarHBondContact O-N 3.36Å; L85-A116 HydrophobicContact CB-CB 3.93Å; L85-A116 WeakPolarHBondContact O-CB 3.43Å
86	R	94.9	Very high	90.5	Very high	81 Å²	81	55.1 Å²	55.1	31%	0.306	26%	0.261	S	S	.	.			trans	-75.5	157.1	-179.2	72.2	174.8	170.8	-162.3	0.2	112.1	I59 E63 L89 E113 A116	I59-R86 HydrophobicContact CD1-CB 3.94Å; I59-R86 HydrophobicContact CD1-CG 3.71Å; E63-R86 IonicContact OE1-CZ 3.53Å; E63-R86 IonicContact OE1-NE 3.81Å; E63-R86 IonicContact OE1-NH2 2.63Å; E63-R86 PolarHBondContact OE1-NH2 3.14Å; E63-R86 IonicContact OE2-NH2 2.93Å; E63-R86 PolarHBondContact OE2-NH2 3.26Å; R86-L89 HydrophobicContact CG-CB 4.28Å; R86-L89 HydrophobicContact CG-CD1 4.17Å; R86-L89 WeakPolarHBondContact O-CB 3.33Å; R86-E113 VanDerWaalsContact CA-OE2 3.26Å; R86-E113 WeakPolarHBondContact CA-OE2 3.3Å; R86-A116 WeakPolarHBondContact O-CA 3.18Å; R86-A116 VanDerWaalsContact O-CB 3.25Å; R86-A116 WeakPolarHBondContact O-CB 3.43Å
87	G	92.9	Very high	89.8	Confident	18 Å²	18	53.7 Å²	53.7	19%	0.186	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	141	172.8	0	0	0	0	0	112.7	L89 E113	G87-L89 PolarHBondContact O-N 3.3Å; G87-E113 PolarHBondContact N-OE2 2.8Å
88	Y	91.9	Very high	89.6	Confident	94 Å²	94	56 Å²	56	37%	0.369	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	20.9	174.7	-47.8	-81.8	0	0	0	115.7	F90 G91 Y92 N115 M118	Y88-F90 PolarHBondContact O-N 3.05Å; Y88-F90 VanDerWaalsContact O-N 3.13Å; Y88-G91 WeakPolarHBondContact CA-O 3.32Å; Y88-G91 PolarHBondContact O-N 3.19Å; Y88-G91 VanDerWaalsContact O-N 3.08Å; Y88-Y92 AromaticContact CD1-CD1 3.82Å; Y88-Y92 HydrophobicContact CD1-CD1 3.82Å; Y88-Y92 HydrophobicContact CD2-CD1 4.48Å; Y88-Y92 AromaticContact CG-CD1 3.73Å; Y88-Y92 HydrophobicContact CG-CD1 3.73Å; Y88-Y92 HydrophobicContact CG-CE1 4.06Å; Y88-N115 HydrophobicContact CD1-CB 4.34Å; Y88-N115 HydrophobicContact CE1-CB 4Å; Y88-N115 HydrophobicContact CE2-CB 4.36Å; Y88-N115 PolarHBondContact N-O 3.11Å; Y88-N115 PolarHBondContact OH-ND2 3.24Å; Y88-N115 VanDerWaalsContact OH-ND2 3.15Å; Y88-M118 HydrophobicContact CD1-CB 4.32Å; Y88-M118 HydrophobicContact CD1-CG 4.39Å; Y88-M118 HydrophobicContact CD1-SD 3.68Å; Y88-M118 HydrophobicContact CE1-SD 3.34Å; Y88-M118 WeakPolarHBondContact CE1-SD 3.39Å
89	L	91.5	Very high	89.5	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.9	-178.7	-177.5	62	0	0	0	113.8	I59 F62 L85 R86 G87	I59-L89 HydrophobicContact CB-CD1 4.34Å; F62-L89 HydrophobicContact CB-CD1 3.77Å; F62-L89 HydrophobicContact CB-CD2 4.24Å; F62-L89 HydrophobicContact CB-CG 3.84Å; F62-L89 HydrophobicContact CD2-CD1 4.17Å; F62-L89 HydrophobicContact CD2-CD2 3.74Å; F62-L89 HydrophobicContact CD2-CG 4.24Å; F62-L89 HydrophobicContact CE2-CD2 4.23Å; F62-L89 HydrophobicContact CG-CD1 4.26Å; F62-L89 HydrophobicContact CG-CD2 3.93Å; F62-L89 HydrophobicContact CG-CG 4.1Å; L85-L89 HydrophobicContact CD2-CD2 4.19Å; R86-L89 HydrophobicContact CG-CB 4.28Å; R86-L89 HydrophobicContact CG-CD1 4.17Å; R86-L89 WeakPolarHBondContact O-CB 3.33Å; G87-L89 PolarHBondContact O-N 3.3Å
90	F	91.6	Very high	89.5	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.013	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	13.4	-177.3	-63.1	-77.1	0	0	0	113.1	F62 L75 Y88 L97 L102 A116 L117 L120	F62-F90 HydrophobicContact CB-CE1 4.43Å; F62-F90 AromaticContact CD1-CE1 3.52Å; F62-F90 HydrophobicContact CD1-CE1 3.52Å; F62-F90 AromaticContact CD1-CZ 3.64Å; F62-F90 HydrophobicContact CD1-CZ 3.64Å; F62-F90 HydrophobicContact CE1-CE1 4.11Å; F62-F90 AromaticContact CE1-CZ 3.89Å; F62-F90 HydrophobicContact CE1-CZ 3.89Å; F62-F90 HydrophobicContact CG-CE1 4.26Å; F62-F90 HydrophobicContact CG-CZ 4.33Å; L75-F90 HydrophobicContact CD2-CE1 4.17Å; Y88-F90 PolarHBondContact O-N 3.05Å; Y88-F90 VanDerWaalsContact O-N 3.13Å; F90-L97 HydrophobicContact CB-CD1 3.89Å; F90-L97 HydrophobicContact CD1-CD1 3.97Å; F90-L97 HydrophobicContact CG-CD1 4.43Å; F90-L97 WeakPolarHBondContact O-CD1 3.27Å; F90-L102 HydrophobicContact CE1-CD1 4.44Å; F90-L102 HydrophobicContact CE1-CD2 4.25Å; F90-L102 HydrophobicContact CE2-CD2 3.99Å; F90-L102 HydrophobicContact CZ-CD1 4.23Å; F90-L102 HydrophobicContact CZ-CD2 3.64Å; F90-A116 VanDerWaalsContact CD2-O 3.31Å; F90-A116 WeakPolarHBondContact CD2-O 3.45Å; F90-L117 HydrophobicContact CD2-CD2 4.32Å; F90-L117 HydrophobicContact CE2-CD2 3.97Å; F90-L120 HydrophobicContact CB-CD1 4.21Å; F90-L120 HydrophobicContact CB-CD2 3.65Å; F90-L120 HydrophobicContact CB-CG 3.71Å; F90-L120 HydrophobicContact CD1-CD1 4.31Å; F90-L120 HydrophobicContact CD1-CD2 3.97Å; F90-L120 HydrophobicContact CD1-CG 4.47Å; F90-L120 HydrophobicContact CD2-CD1 3.62Å; F90-L120 HydrophobicContact CD2-CD2 4.47Å; F90-L120 HydrophobicContact CD2-CG 4.1Å; F90-L120 HydrophobicContact CE2-CD1 4.02Å; F90-L120 HydrophobicContact CG-CD1 3.79Å; F90-L120 HydrophobicContact CG-CD2 3.79Å; F90-L120 HydrophobicContact CG-CG 3.85Å
91	G	86.4	Confident	89.6	Confident	7 Å²	7	59.2 Å²	59.2	7%	0.072	28%	0.28	C	S	.	.			trans	121.8	173.2	-179.1	0	0	0	0	0	113.3	Y88	Y88-G91 WeakPolarHBondContact CA-O 3.32Å; Y88-G91 PolarHBondContact O-N 3.19Å; Y88-G91 VanDerWaalsContact O-N 3.08Å
92	Y	85.5	Confident	89.7	Confident	165 Å²	165	51.8 Å²	51.8	65%	0.647	25%	0.252	S	S	*	.	S	Bend	trans	-111.7	-28.1	-175.7	-51.6	-89.2	0	0	0	111.6	Y88 D96	Y88-Y92 AromaticContact CD1-CD1 3.82Å; Y88-Y92 HydrophobicContact CD1-CD1 3.82Å; Y88-Y92 HydrophobicContact CD2-CD1 4.48Å; Y88-Y92 AromaticContact CG-CD1 3.73Å; Y88-Y92 HydrophobicContact CG-CD1 3.73Å; Y88-Y92 HydrophobicContact CG-CE1 4.06Å; Y92-D96 PolarHBondContact N-OD2 3.32Å
93	R	78.8	Confident	89.8	Confident	187 Å²	187	52.3 Å²	52.3	71%	0.706	26%	0.255	S	S	*	.	S	Bend	trans	-102.2	149.2	-179.3	-55.9	-179.3	-80.5	-152.8	-7.8	109.7	A95 D96 G119	R93-A95 PolarHBondContact O-N 3.25Å; R93-D96 WeakPolarHBondContact CB-OD1 3.38Å; R93-D96 PolarHBondContact N-OD2 3.47Å; R93-D96 IonicContact NE-OD1 3.4Å; R93-D96 PolarHBondContact NE-OD1 3.5Å; R93-D96 WeakPolarHBondContact O-CB 3.31Å; R93-D96 VanDerWaalsContact O-CG 3.28Å; R93-D96 PolarHBondContact O-N 3.47Å; R93-G119 VanDerWaalsContact O-CA 3.3Å; R93-G119 WeakPolarHBondContact O-CA 3.43Å
94	T	72.2	Confident	89.9	Confident	103 Å²	103	46.1 Å²	46.1	63%	0.632	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	134.5	172.2	53.1	0	0	0	0	110.1	D96 D121	T94-D96 VanDerWaalsContact C-N 3.29Å; T94-D96 PolarHBondContact O-N 3.2Å; T94-D121 WeakPolarHBondContact CA-OD2 3.16Å; T94-D121 VanDerWaalsContact CB-OD1 3.3Å; T94-D121 WeakPolarHBondContact CB-OD1 3.19Å; T94-D121 WeakPolarHBondContact CG2-OD1 3.17Å
95	A	69.9	Low	90	Very high	56 Å²	56	48 Å²	48	46%	0.463	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	28.5	-179.3	0	0	0	0	0	115	R93 L97 D121	R93-A95 PolarHBondContact O-N 3.25Å; A95-L97 PolarHBondContact O-N 2.67Å; A95-D121 PolarHBondContact N-OD2 2.78Å
96	D	76.9	Confident	90.1	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	26%	0.256	C	S	.	.	S	Bend	trans	-60	-26.5	169	-86.3	-22.6	0	0	0	111.4	H66 Y92 R93 T94	H66-D96 PolarHBondContact CE1-O 3.24Å; Y92-D96 PolarHBondContact N-OD2 3.32Å; R93-D96 WeakPolarHBondContact CB-OD1 3.38Å; R93-D96 PolarHBondContact N-OD2 3.47Å; R93-D96 IonicContact NE-OD1 3.4Å; R93-D96 PolarHBondContact NE-OD1 3.5Å; R93-D96 WeakPolarHBondContact O-CB 3.31Å; R93-D96 VanDerWaalsContact O-CG 3.28Å; R93-D96 PolarHBondContact O-N 3.47Å; T94-D96 VanDerWaalsContact C-N 3.29Å; T94-D96 PolarHBondContact O-N 3.2Å
97	L	83.3	Confident	90.2	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	24%	0.244	C	C	.	.			trans	-125.8	130.6	178.6	-86.6	167.8	0	0	0	112.8	H66 F90 A95 L99 G119 L120	H66-L97 HydrophobicContact CB-CD1 4.39Å; H66-L97 HydrophobicContact CB-CD2 4.45Å; H66-L97 WeakPolarHBondContact ND1-CD2 3.43Å; H66-L97 VanDerWaalsContact ND1-CG 3.26Å; H66-L97 WeakPolarHBondContact ND1-CG 3.49Å; F90-L97 HydrophobicContact CB-CD1 3.89Å; F90-L97 HydrophobicContact CD1-CD1 3.97Å; F90-L97 HydrophobicContact CG-CD1 4.43Å; F90-L97 WeakPolarHBondContact O-CD1 3.27Å; A95-L97 PolarHBondContact O-N 2.67Å; L97-L99 HydrophobicContact CB-CB 4.26Å; L97-L99 PolarHBondContact O-N 3.12Å; L97-G119 PolarHBondContact N-O 2.92Å; L97-L120 HydrophobicContact CB-CD2 4.18Å; L97-L120 HydrophobicContact CD1-CD2 4.17Å
98	P	91.6	Very high	90.4	Very high	49 Å²	49	51.1 Å²	51.1	32%	0.318	26%	0.255	S	S	.	.			trans	-78.7	24.8	172.4	34.8	-34.2	0	0	0	112.5	P70 L72 V100	P70-P98 WeakPolarHBondContact O-CD 3.47Å; P70-P98 WeakPolarHBondContact O-CG 3.39Å; L72-P98 CarbonylContact O-C 3.39Å; P98-V100 PolarHBondContact O-N 3.16Å
99	L	95.9	Very high	90.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.237	C	C	.	.			trans	-69.1	122.4	-175.9	-166.9	74.7	0	0	0	109.6	L72 N73 L75 L97 L102 L120 N122 L123	L72-L99 HydrophobicContact CD2-CD1 4.04Å; L72-L99 HydrophobicContact CG-CD1 3.85Å; L72-L99 WeakPolarHBondContact O-CA 3.42Å; L72-L99 PolarHBondContact O-N 3.28Å; N73-L99 WeakPolarHBondContact O-CD1 3.5Å; L75-L99 HydrophobicContact CB-CD1 3.65Å; L75-L99 HydrophobicContact CB-CD2 4.21Å; L97-L99 HydrophobicContact CB-CB 4.26Å; L97-L99 PolarHBondContact O-N 3.12Å; L99-L102 HydrophobicContact CD2-CB 3.93Å; L99-L102 HydrophobicContact CD2-CD1 4.29Å; L99-L102 HydrophobicContact CD2-CG 4.47Å; L99-L120 HydrophobicContact CB-CD2 3.97Å; L99-L120 HydrophobicContact CD2-CD2 3.77Å; L99-L120 HydrophobicContact CG-CD2 4.49Å; L99-N122 CarbonylContact O-C 3.44Å; L99-L123 HydrophobicContact CD2-CD1 4.09Å; L99-L123 HydrophobicContact CG-CD1 4.08Å; L99-L123 VanDerWaalsContact O-CA 3.31Å; L99-L123 WeakPolarHBondContact O-CA 3.34Å; L99-L123 PolarHBondContact O-N 3.28Å
100	V	97.8	Very high	91	Very high	34 Å²	34	51.1 Å²	51.1	21%	0.206	25%	0.254	C	S	.	.			trans	-101.9	-32.1	179.2	171.5	0	0	0	0	110.9	N73 P98 E124 T125	N73-V100 WeakPolarHBondContact ND2-CB 3.46Å; N73-V100 WeakPolarHBondContact ND2-CG2 3.4Å; N73-V100 PolarHBondContact O-N 3.21Å; P98-V100 PolarHBondContact O-N 3.16Å; V100-E124 HydrophobicContact CG1-CB 3.87Å; V100-E124 HydrophobicContact CG1-CG 3.92Å; V100-E124 PolarHBondContact O-N 2.77Å; V100-T125 PolarHBondContact O-N 2.88Å
101	Q	98.6	Very high	91.1	Very high	63 Å²	63	52 Å²	52	29%	0.294	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.5	-179.2	-179.6	170.9	-12.4	0	0	112.1	N73 T74 L75 T125	N73-Q101 PolarHBondContact O-N 3.29Å; T74-Q101 WeakPolarHBondContact CA-O 3.4Å; T74-Q101 HydrophobicContact CG2-CB 4.1Å; T74-Q101 HydrophobicContact CG2-CG 4.18Å; L75-Q101 PolarHBondContact N-O 3.2Å; Q101-T125 WeakPolarHBondContact CA-O 3.5Å; Q101-T125 HydrophobicContact CG-CG2 4.05Å
102	L	98.4	Very high	91.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115.8	175.6	178.3	56.5	0	0	0	109.9	L75 F90 L99 L104 L117 L120 L123 T125 L126 I127	L75-L102 HydrophobicContact CB-CD1 4.11Å; L75-L102 HydrophobicContact CD2-CD1 3.96Å; L75-L102 HydrophobicContact CG-CD1 4.02Å; F90-L102 HydrophobicContact CE1-CD1 4.44Å; F90-L102 HydrophobicContact CE1-CD2 4.25Å; F90-L102 HydrophobicContact CE2-CD2 3.99Å; F90-L102 HydrophobicContact CZ-CD1 4.23Å; F90-L102 HydrophobicContact CZ-CD2 3.64Å; L99-L102 HydrophobicContact CD2-CB 3.93Å; L99-L102 HydrophobicContact CD2-CD1 4.29Å; L99-L102 HydrophobicContact CD2-CG 4.47Å; L102-L104 HydrophobicContact CD1-CD1 4.27Å; L102-L104 HydrophobicContact CD1-CD2 4.38Å; L102-L104 HydrophobicContact CD1-CG 4.01Å; L102-L104 HydrophobicContact CD2-CD1 3.86Å; L102-L104 HydrophobicContact CD2-CG 4.46Å; L102-L104 HydrophobicContact CG-CD1 3.95Å; L102-L104 HydrophobicContact CG-CG 4.02Å; L102-L117 HydrophobicContact CD2-CD2 4.26Å; L102-L120 HydrophobicContact CD2-CD1 3.83Å; L102-L123 HydrophobicContact CB-CD1 3.75Å; L102-L123 HydrophobicContact CB-CD2 4.33Å; L102-T125 PolarHBondContact N-O 2.82Å; L102-L126 HydrophobicContact CB-CD1 4.21Å; L102-L126 HydrophobicContact CD2-CD1 4Å; L102-L126 HydrophobicContact CG-CD1 4.13Å; L102-I127 PolarHBondContact O-N 3.41Å
103	D	98.7	Very high	91.9	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111	177	-165.3	-21.2	0	0	0	111.6	L75 L76 M77 A78 R105 I127	L75-D103 PolarHBondContact O-N 3.44Å; L76-D103 HydrophobicContact CD2-CB 3.72Å; M77-D103 CarbonylContact C-O 3.33Å; M77-D103 WeakPolarHBondContact CA-O 3.41Å; M77-D103 WeakPolarHBondContact CB-O 3.18Å; M77-D103 PolarHBondContact N-O 3.36Å; A78-D103 PolarHBondContact N-O 3.43Å; D103-R105 VanDerWaalsContact CG-NE 3.31Å; D103-R105 WeakPolarHBondContact OD1-CB 3.2Å; D103-R105 WeakPolarHBondContact OD1-CG 2.91Å; D103-R105 IonicContact OD1-CZ 2.75Å; D103-R105 PolarHBondContact OD1-N 3.22Å; D103-R105 IonicContact OD1-NE 3.55Å; D103-R105 PolarHBondContact OD1-NE 2.82Å; D103-R105 IonicContact OD1-NH2 3.03Å; D103-R105 IonicContact OD2-CZ 2.84Å; D103-R105 IonicContact OD2-NE 2.77Å; D103-R105 PolarHBondContact OD2-NE 3.31Å; D103-R105 IonicContact OD2-NH2 3.81Å; D103-R105 PolarHBondContact OD2-NH2 2.97Å; D103-I127 HydrophobicContact CB-CB 4.42Å
104	L	98.6	Very high	92.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.			trans	-117.9	19.5	178.9	-68.8	167.1	0	0	0	111.4	F62 M77 L85 L102 N107 I109 I127 L128 N131	F62-L104 HydrophobicContact CE1-CD2 4.04Å; F62-L104 HydrophobicContact CZ-CD2 3.66Å; M77-L104 HydrophobicContact CB-CD2 3.95Å; L85-L104 HydrophobicContact CD1-CD1 3.77Å; L85-L104 HydrophobicContact CD2-CD1 4.3Å; L102-L104 HydrophobicContact CD1-CD1 4.27Å; L102-L104 HydrophobicContact CD1-CD2 4.38Å; L102-L104 HydrophobicContact CD1-CG 4.01Å; L102-L104 HydrophobicContact CD2-CD1 3.86Å; L102-L104 HydrophobicContact CD2-CG 4.46Å; L102-L104 HydrophobicContact CG-CD1 3.95Å; L102-L104 HydrophobicContact CG-CG 4.02Å; L104-N107 PolarHBondContact O-ND2 2.82Å; L104-I109 HydrophobicContact CB-CD1 4.05Å; L104-I109 HydrophobicContact CD1-CD1 4.41Å; L104-I127 CarbonylContact C-O 3.33Å; L104-I127 WeakPolarHBondContact CA-O 3.44Å; L104-I127 PolarHBondContact N-O 2.98Å; L104-L128 HydrophobicContact CB-CD2 3.97Å; L104-L128 HydrophobicContact CD1-CD2 3.94Å; L104-N131 PolarHBondContact O-ND2 2.95Å; L104-N131 VanDerWaalsContact O-ND2 3.08Å
105	R	98.5	Very high	93.4	Very high	85 Å²	85	38.2 Å²	38.2	32%	0.321	21%	0.205	S	C	.	.			trans	-62.6	157.2	-177.2	77.6	-176.8	74.6	-159.7	7	112.8	A78 G79 D103 N107 I127 N129	A78-R105 CarbonylContact C-O 3.41Å; A78-R105 VanDerWaalsContact CA-O 3.22Å; A78-R105 WeakPolarHBondContact CA-O 3.3Å; A78-R105 HydrophobicContact CB-CG 3.55Å; G79-R105 PolarHBondContact N-O 2.9Å; D103-R105 VanDerWaalsContact CG-NE 3.31Å; D103-R105 WeakPolarHBondContact OD1-CB 3.2Å; D103-R105 WeakPolarHBondContact OD1-CG 2.91Å; D103-R105 IonicContact OD1-CZ 2.75Å; D103-R105 PolarHBondContact OD1-N 3.22Å; D103-R105 IonicContact OD1-NE 3.55Å; D103-R105 PolarHBondContact OD1-NE 2.82Å; D103-R105 IonicContact OD1-NH2 3.03Å; D103-R105 IonicContact OD2-CZ 2.84Å; D103-R105 IonicContact OD2-NE 2.77Å; D103-R105 PolarHBondContact OD2-NE 3.31Å; D103-R105 IonicContact OD2-NH2 3.81Å; D103-R105 PolarHBondContact OD2-NH2 2.97Å; R105-N107 VanDerWaalsContact C-N 3.31Å; R105-N107 PolarHBondContact O-N 2.72Å; R105-N107 PolarHBondContact O-ND2 3.03Å; R105-I127 HydrophobicContact CB-CG2 3.93Å; R105-I127 PolarHBondContact N-O 2.92Å; R105-N129 CarbonylContact C-O 3.27Å; R105-N129 WeakPolarHBondContact CA-O 3.35Å; R105-N129 WeakPolarHBondContact CB-O 3.46Å; R105-N129 WeakPolarHBondContact CB-OD1 3.47Å
106	N	98.3	Very high	94.6	Very high	95 Å²	95	35.5 Å²	35.5	51%	0.508	18%	0.183	S	C	.	.	S	Bend	trans	54.1	49.6	173	-168.8	34.8	0	0	0	111.8	G79 N129 D130	G79-N106 CarbonylContact C-O 2.97Å; G79-N106 WeakPolarHBondContact CA-O 3.3Å; G79-N106 PolarHBondContact N-O 3.38Å; N106-N129 PolarHBondContact N-O 2.9Å; N106-D130 WeakPolarHBondContact CA-O 3.47Å; N106-D130 HydrophobicContact CB-CB 4.32Å; N106-D130 PolarHBondContact N-O 2.68Å; N106-D130 VanDerWaalsContact N-O 3.16Å
107	N	98.2	Very high	95.5	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.059	17%	0.172	C	C	.	.	S	Bend	trans	-114.5	-168.7	172.9	-86.7	-83.7	0	0	0	108.9	M77 N80 R81 F82 L104 R105 I109 D130 N131	M77-N107 PolarHBondContact O-ND2 3.17Å; N80-N107 VanDerWaalsContact CA-OD1 3.22Å; N80-N107 WeakPolarHBondContact CA-OD1 3.12Å; N80-N107 WeakPolarHBondContact CB-OD1 3.22Å; N80-N107 PolarHBondContact N-OD1 2.99Å; N80-N107 PolarHBondContact O-OD1 3.03Å; R81-N107 PolarHBondContact N-OD1 2.03Å; F82-N107 WeakPolarHBondContact CD2-OD1 3.04Å; F82-N107 PolarHBondContact N-OD1 3.1Å; L104-N107 PolarHBondContact O-ND2 2.82Å; R105-N107 VanDerWaalsContact C-N 3.31Å; R105-N107 PolarHBondContact O-N 2.72Å; R105-N107 PolarHBondContact O-ND2 3.03Å; N107-I109 HydrophobicContact CB-CD1 4.14Å; N107-I109 HydrophobicContact CB-CG1 3.94Å; N107-D130 PolarHBondContact N-O 3.17Å; N107-N131 WeakPolarHBondContact CA-OD1 3.17Å; N107-N131 WeakPolarHBondContact CB-OD1 3.18Å; N107-N131 PolarHBondContact O-OD1 3.13Å
108	S	96.9	Very high	96	Very high	57 Å²	57	34.8 Å²	34.8	40%	0.399	18%	0.178	S	C	.	.			trans	-113.4	30.7	173.6	-59.3	0	0	0	0	111.4	F82 K83 W110	F82-S108 CarbonylContact O-C 3.26Å; F82-S108 VanDerWaalsContact O-CA 3.3Å; F82-S108 WeakPolarHBondContact O-CA 3.04Å; F82-S108 PolarHBondContact O-N 3.04Å; K83-S108 WeakPolarHBondContact CA-O 3.12Å; S108-W110 PolarHBondContact O-N 3Å
109	I	98	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.			trans	-67	113.1	-173.5	-60	167.3	0	0	0	107.5	F82 K83 L85 L104 N107 T111 I112 L128 N131 A132 L133	F82-I109 HydrophobicContact CB-CG1 4.07Å; F82-I109 PolarHBondContact O-N 3.18Å; K83-I109 WeakPolarHBondContact O-CA 3.18Å; L85-I109 HydrophobicContact CD1-CD1 4.28Å; L85-I109 HydrophobicContact CD2-CD1 4.06Å; L85-I109 HydrophobicContact CG-CD1 4.16Å; L85-I109 HydrophobicContact CG-CG2 4.21Å; L104-I109 HydrophobicContact CB-CD1 4.05Å; L104-I109 HydrophobicContact CD1-CD1 4.41Å; N107-I109 HydrophobicContact CB-CD1 4.14Å; N107-I109 HydrophobicContact CB-CG1 3.94Å; I109-T111 WeakPolarHBondContact CG2-O 3.2Å; I109-I112 HydrophobicContact CG2-CD1 4.48Å; I109-I112 HydrophobicContact CG2-CG1 3.86Å; I109-L128 HydrophobicContact CD1-CD2 4.35Å; I109-N131 HydrophobicContact CB-CB 4.4Å; I109-N131 VanDerWaalsContact CB-OD1 3.3Å; I109-N131 WeakPolarHBondContact CB-OD1 3.3Å; I109-N131 WeakPolarHBondContact CG1-OD1 3.35Å; I109-N131 PolarHBondContact N-OD1 3.38Å; I109-A132 CarbonylContact O-C 3.56Å; I109-A132 PolarHBondContact O-N 3.16Å; I109-L133 HydrophobicContact CG2-CD2 4.02Å; I109-L133 PolarHBondContact O-N 2.97Å; I109-L133 VanDerWaalsContact O-N 3.14Å
110	W	96.2	Very high	95.9	Very high	98 Å²	98	32.4 Å²	32.4	37%	0.371	16%	0.162	S	C	.	.			trans	-107.2	-16.2	179.1	62.5	-90.4	0	0	0	112.9	K83 S108 A132 R134	K83-W110 PolarHBondContact O-N 3.07Å; K83-W110 PolarHBondContact O-NE1 2.91Å; S108-W110 PolarHBondContact O-N 3Å; W110-A132 WeakPolarHBondContact CA-O 3.34Å; W110-A132 VanDerWaalsContact CB-O 3.3Å; W110-A132 WeakPolarHBondContact CB-O 3.5Å; W110-R134 HydrophobicContact CB-CG 4.21Å; W110-R134 PolarHBondContact O-N 3.02Å
111	T	94.5	Very high	95.6	Very high	22 Å²	22	32.2 Å²	32.2	14%	0.135	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.1	175.1	178.3	0	0	0	0	111.1	L84 L85 I109	L84-T111 WeakPolarHBondContact CA-O 3Å; L84-T111 HydrophobicContact CB-CG2 3.78Å; L84-T111 HydrophobicContact CD1-CG2 3.35Å; L84-T111 HydrophobicContact CG-CG2 4.07Å; L85-T111 PolarHBondContact N-O 2.92Å; L85-T111 VanDerWaalsContact N-O 3.1Å; I109-T111 WeakPolarHBondContact CG2-O 3.2Å
112	I	95.8	Very high	95.4	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.8	172.3	-58.6	177.8	0	0	0	104.9	L85 I109 A116 L128 L133 V145	L85-I112 HydrophobicContact CB-CG1 4.45Å; L85-I112 HydrophobicContact CB-CG2 4.27Å; L85-I112 HydrophobicContact CD1-CD1 4.18Å; L85-I112 HydrophobicContact CD1-CG1 4Å; L85-I112 HydrophobicContact CD1-CG2 4.32Å; L85-I112 HydrophobicContact CG-CG1 4.33Å; I109-I112 HydrophobicContact CG2-CD1 4.48Å; I109-I112 HydrophobicContact CG2-CG1 3.86Å; I112-A116 HydrophobicContact CG2-CB 3.8Å; I112-L128 HydrophobicContact CD1-CD1 3.99Å; I112-L128 HydrophobicContact CD1-CD2 4.22Å; I112-L133 HydrophobicContact CD1-CD2 3.86Å; I112-L133 HydrophobicContact CG1-CD2 3.88Å; I112-V145 HydrophobicContact CB-CG1 4.25Å; I112-V145 HydrophobicContact CG2-CB 3.9Å; I112-V145 HydrophobicContact CG2-CG1 3.89Å; I112-V145 HydrophobicContact CG2-CG2 4.22Å
113	E	93.5	Very high	95.4	Very high	85 Å²	85	32.4 Å²	32.4	40%	0.397	16%	0.164	S	C	.	.			trans	-65.6	156.7	178.7	-79.7	173.8	-174.6	0	0	111.2	L84 L85 R86 G87 N115 A116	L84-E113 HydrophobicContact CD1-CG 3.76Å; L85-E113 PolarHBondContact O-N 3.36Å; R86-E113 VanDerWaalsContact CA-OE2 3.26Å; R86-E113 WeakPolarHBondContact CA-OE2 3.3Å; G87-E113 PolarHBondContact N-OE2 2.8Å; E113-N115 PolarHBondContact O-N 3.48Å; E113-A116 WeakPolarHBondContact O-CB 3.43Å; E113-A116 PolarHBondContact O-N 2.03Å; E113-A116 VanDerWaalsContact O-N 3.1Å
114	T	90.4	Very high	95.4	Very high	53 Å²	53	35.2 Å²	35.2	33%	0.325	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	139.7	170.6	-51.8	0	0	0	0	109.7	A116 Q143	T114-A116 PolarHBondContact O-N 2.83Å; T114-A116 VanDerWaalsContact O-N 3.17Å; T114-Q143 HydrophobicContact CG2-CB 4.24Å
115	N	92.5	Very high	95.4	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.134	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	12.4	-177.2	-53.8	-36.2	0	0	0	115.3	Y88 E113 L117 M118	Y88-N115 HydrophobicContact CD1-CB 4.34Å; Y88-N115 HydrophobicContact CE1-CB 4Å; Y88-N115 HydrophobicContact CE2-CB 4.36Å; Y88-N115 PolarHBondContact N-O 3.11Å; Y88-N115 PolarHBondContact OH-ND2 3.24Å; Y88-N115 VanDerWaalsContact OH-ND2 3.15Å; E113-N115 PolarHBondContact O-N 3.48Å; N115-L117 PolarHBondContact O-N 2.96Å; N115-M118 HydrophobicContact CB-CB 4.09Å; N115-M118 HydrophobicContact CB-SD 4.33Å; N115-M118 VanDerWaalsContact O-CB 3.23Å; N115-M118 WeakPolarHBondContact O-CB 3.42Å; N115-M118 PolarHBondContact O-N 2.94Å
116	A	94.6	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.1	176.2	0	0	0	0	0	113.1	L85 R86 F90 I112 E113 T114	L85-A116 HydrophobicContact CB-CB 3.93Å; L85-A116 WeakPolarHBondContact O-CB 3.43Å; R86-A116 WeakPolarHBondContact O-CA 3.18Å; R86-A116 VanDerWaalsContact O-CB 3.25Å; R86-A116 WeakPolarHBondContact O-CB 3.43Å; F90-A116 VanDerWaalsContact CD2-O 3.31Å; F90-A116 WeakPolarHBondContact CD2-O 3.45Å; I112-A116 HydrophobicContact CG2-CB 3.8Å; E113-A116 WeakPolarHBondContact O-CB 3.43Å; E113-A116 PolarHBondContact O-N 2.03Å; E113-A116 VanDerWaalsContact O-N 3.1Å; T114-A116 PolarHBondContact O-N 2.83Å; T114-A116 VanDerWaalsContact O-N 3.17Å
117	L	95	Very high	95.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	16.6	179.1	-56	175.6	0	0	0	112.9	F90 L102 N115 L120 L126 F146 P148 L149	F90-L117 HydrophobicContact CD2-CD2 4.32Å; F90-L117 HydrophobicContact CE2-CD2 3.97Å; L102-L117 HydrophobicContact CD2-CD2 4.26Å; N115-L117 PolarHBondContact O-N 2.96Å; L117-L120 HydrophobicContact CB-CD1 4.28Å; L117-L120 HydrophobicContact CD2-CD1 3.95Å; L117-L120 WeakPolarHBondContact O-CB 3.32Å; L117-L120 PolarHBondContact O-N 3.13Å; L117-L126 HydrophobicContact CD1-CD2 3.72Å; L117-F146 HydrophobicContact CD1-CD1 4.09Å; L117-F146 HydrophobicContact CD1-CE1 4.32Å; L117-P148 HydrophobicContact CB-CG 4.32Å; L117-P148 WeakPolarHBondContact O-CG 3.12Å; L117-L149 HydrophobicContact CB-CD2 4.2Å; L117-L149 HydrophobicContact CD1-CD1 3.91Å
118	M	93.4	Very high	95.4	Very high	32 Å²	32	27.4 Å²	27.4	16%	0.158	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	143.8	174.2	-172.6	165.3	-109.5	0	0	110.6	Y88 N115 L120 W147	Y88-M118 HydrophobicContact CD1-CB 4.32Å; Y88-M118 HydrophobicContact CD1-CG 4.39Å; Y88-M118 HydrophobicContact CD1-SD 3.68Å; Y88-M118 HydrophobicContact CE1-SD 3.34Å; Y88-M118 WeakPolarHBondContact CE1-SD 3.39Å; N115-M118 HydrophobicContact CB-CB 4.09Å; N115-M118 HydrophobicContact CB-SD 4.33Å; N115-M118 VanDerWaalsContact O-CB 3.23Å; N115-M118 WeakPolarHBondContact O-CB 3.42Å; N115-M118 PolarHBondContact O-N 2.94Å; M118-L120 VanDerWaalsContact C-N 3.33Å; M118-W147 HydrophobicContact CE-CZ2 4.38Å
119	G	92.2	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	-6.4	-175.6	0	0	0	0	0	114.9	R93 L97 D121	R93-G119 VanDerWaalsContact O-CA 3.3Å; R93-G119 WeakPolarHBondContact O-CA 3.43Å; L97-G119 PolarHBondContact N-O 2.92Å; G119-D121 VanDerWaalsContact C-N 3.34Å; G119-D121 VanDerWaalsContact C-OD2 3.29Å; G119-D121 WeakPolarHBondContact CA-OD2 3.47Å; G119-D121 PolarHBondContact O-N 3.14Å
120	L	94.7	Very high	95.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.			trans	-94.4	40.3	178.3	-60.8	-175.4	0	0	0	113.1	F90 L97 L99 L102 L117 M118 N122 L123 L149	F90-L120 HydrophobicContact CB-CD1 4.21Å; F90-L120 HydrophobicContact CB-CD2 3.65Å; F90-L120 HydrophobicContact CB-CG 3.71Å; F90-L120 HydrophobicContact CD1-CD1 4.31Å; F90-L120 HydrophobicContact CD1-CD2 3.97Å; F90-L120 HydrophobicContact CD1-CG 4.47Å; F90-L120 HydrophobicContact CD2-CD1 3.62Å; F90-L120 HydrophobicContact CD2-CD2 4.47Å; F90-L120 HydrophobicContact CD2-CG 4.1Å; F90-L120 HydrophobicContact CE2-CD1 4.02Å; F90-L120 HydrophobicContact CG-CD1 3.79Å; F90-L120 HydrophobicContact CG-CD2 3.79Å; F90-L120 HydrophobicContact CG-CG 3.85Å; L97-L120 HydrophobicContact CB-CD2 4.18Å; L97-L120 HydrophobicContact CD1-CD2 4.17Å; L99-L120 HydrophobicContact CB-CD2 3.97Å; L99-L120 HydrophobicContact CD2-CD2 3.77Å; L99-L120 HydrophobicContact CG-CD2 4.49Å; L102-L120 HydrophobicContact CD2-CD1 3.83Å; L117-L120 HydrophobicContact CB-CD1 4.28Å; L117-L120 HydrophobicContact CD2-CD1 3.95Å; L117-L120 WeakPolarHBondContact O-CB 3.32Å; L117-L120 PolarHBondContact O-N 3.13Å; M118-L120 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 2.87Å; L120-L123 HydrophobicContact CB-CB 4.12Å; L120-L123 HydrophobicContact CB-CD2 4.47Å; L120-L123 HydrophobicContact CD1-CD2 4.2Å; L120-L123 WeakPolarHBondContact O-CB 3.27Å; L120-L123 PolarHBondContact O-N 3.01Å; L120-L149 HydrophobicContact CB-CD2 3.94Å
121	D	91.4	Very high	95.6	Very high	31 Å²	31	23.2 Å²	23.2	17%	0.166	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.3	-173.9	-55	-115.4	0	0	0	113.2	T94 A95 G119 N151	T94-D121 WeakPolarHBondContact CA-OD2 3.16Å; T94-D121 VanDerWaalsContact CB-OD1 3.3Å; T94-D121 WeakPolarHBondContact CB-OD1 3.19Å; T94-D121 WeakPolarHBondContact CG2-OD1 3.17Å; A95-D121 PolarHBondContact N-OD2 2.78Å; G119-D121 VanDerWaalsContact C-N 3.34Å; G119-D121 VanDerWaalsContact C-OD2 3.29Å; G119-D121 WeakPolarHBondContact CA-OD2 3.47Å; G119-D121 PolarHBondContact O-N 3.14Å; D121-N151 WeakPolarHBondContact O-CB 3.44Å; D121-N151 PolarHBondContact O-ND2 3.44Å
122	N	94.6	Very high	95.7	Very high	66 Å²	66	23.5 Å²	23.5	35%	0.353	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1	178	-62.5	-53.7	0	0	0	113.6	L99 L120 E124	L99-N122 CarbonylContact O-C 3.44Å; L120-N122 PolarHBondContact O-N 2.87Å; N122-E124 PolarHBondContact O-N 2.9Å
123	L	97.3	Very high	95.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.125	C	C	.	.			trans	-68.7	118.9	-173.5	-163.5	76.5	0	0	0	110.5	L99 L102 L120 L126 L149 N151 L152	L99-L123 HydrophobicContact CD2-CD1 4.09Å; L99-L123 HydrophobicContact CG-CD1 4.08Å; L99-L123 VanDerWaalsContact O-CA 3.31Å; L99-L123 WeakPolarHBondContact O-CA 3.34Å; L99-L123 PolarHBondContact O-N 3.28Å; L102-L123 HydrophobicContact CB-CD1 3.75Å; L102-L123 HydrophobicContact CB-CD2 4.33Å; L120-L123 HydrophobicContact CB-CB 4.12Å; L120-L123 HydrophobicContact CB-CD2 4.47Å; L120-L123 HydrophobicContact CD1-CD2 4.2Å; L120-L123 WeakPolarHBondContact O-CB 3.27Å; L120-L123 PolarHBondContact O-N 3.01Å; L123-L126 HydrophobicContact CD2-CB 3.88Å; L123-L126 HydrophobicContact CD2-CD1 4.23Å; L123-L126 HydrophobicContact CD2-CG 4.47Å; L123-L149 HydrophobicContact CB-CD2 4.23Å; L123-L149 HydrophobicContact CD2-CD1 4.37Å; L123-L149 HydrophobicContact CD2-CD2 3.96Å; L123-N151 CarbonylContact O-C 3.5Å; L123-N151 VanDerWaalsContact O-C 3.27Å; L123-L152 HydrophobicContact CB-CD1 4.45Å; L123-L152 HydrophobicContact CD2-CD1 4.04Å; L123-L152 HydrophobicContact CG-CD1 4.11Å; L123-L152 VanDerWaalsContact O-CA 3.26Å; L123-L152 WeakPolarHBondContact O-CA 3.14Å; L123-L152 PolarHBondContact O-N 3.49Å
124	E	98.3	Very high	95.9	Very high	70 Å²	70	24.8 Å²	24.8	33%	0.327	13%	0.127	S	C	.	.			trans	-96.9	-29.9	175	-66.4	-173.1	-152.7	0	0	111.7	V100 N122 R153 I154	V100-E124 HydrophobicContact CG1-CB 3.87Å; V100-E124 HydrophobicContact CG1-CG 3.92Å; V100-E124 PolarHBondContact O-N 2.77Å; N122-E124 PolarHBondContact O-N 2.9Å; E124-R153 HydrophobicContact CB-CG 4.3Å; E124-R153 HydrophobicContact CG-CG 4.42Å; E124-R153 WeakPolarHBondContact O-CA 3.44Å; E124-R153 PolarHBondContact O-N 3.01Å; E124-R153 VanDerWaalsContact OE2-CD 3.23Å; E124-R153 WeakPolarHBondContact OE2-CD 3.27Å; E124-R153 IonicContact OE2-NH1 3.11Å; E124-R153 PolarHBondContact OE2-NH1 3.03Å; E124-I154 PolarHBondContact O-N 2.78Å
125	T	98.8	Very high	95.8	Very high	19 Å²	19	23.1 Å²	23.1	12%	0.117	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118	-175.7	-62	0	0	0	0	111.3	V100 Q101 L102 I127 I154	V100-T125 PolarHBondContact O-N 2.88Å; Q101-T125 WeakPolarHBondContact CA-O 3.5Å; Q101-T125 HydrophobicContact CG-CG2 4.05Å; L102-T125 PolarHBondContact N-O 2.82Å; T125-I127 HydrophobicContact CG2-CD1 3.86Å; T125-I127 HydrophobicContact CG2-CG1 3.76Å; T125-I154 HydrophobicContact CG2-CB 4.19Å; T125-I154 HydrophobicContact CG2-CG2 4.35Å
126	L	98.7	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.3	173.2	178.9	59.8	0	0	0	110.2	L102 L117 L123 L128 F146 L149 L152 I154 L155 Q156	L102-L126 HydrophobicContact CB-CD1 4.21Å; L102-L126 HydrophobicContact CD2-CD1 4Å; L102-L126 HydrophobicContact CG-CD1 4.13Å; L117-L126 HydrophobicContact CD1-CD2 3.72Å; L123-L126 HydrophobicContact CD2-CB 3.88Å; L123-L126 HydrophobicContact CD2-CD1 4.23Å; L123-L126 HydrophobicContact CD2-CG 4.47Å; L126-L128 HydrophobicContact CD1-CD1 4.35Å; L126-L128 HydrophobicContact CD1-CG 4.1Å; L126-L128 HydrophobicContact CD2-CD1 3.81Å; L126-L128 HydrophobicContact CD2-CG 4.41Å; L126-L128 HydrophobicContact CG-CD1 4.01Å; L126-L128 HydrophobicContact CG-CG 4.08Å; L126-F146 HydrophobicContact CD2-CD1 3.91Å; L126-F146 HydrophobicContact CD2-CE1 3.65Å; L126-L149 HydrophobicContact CD2-CD1 3.69Å; L126-L152 HydrophobicContact CB-CD1 3.75Å; L126-L152 HydrophobicContact CB-CD2 4.26Å; L126-I154 PolarHBondContact N-O 2.8Å; L126-L155 HydrophobicContact CB-CD1 4.25Å; L126-L155 HydrophobicContact CD2-CD1 4.06Å; L126-L155 HydrophobicContact CG-CD1 4.24Å; L126-Q156 PolarHBondContact O-N 3.21Å
127	I	98.8	Very high	94.9	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.6	-176.4	-56.8	-177.4	0	0	0	109.2	L102 D103 L104 R105 T125 N129 Q156	L102-I127 PolarHBondContact O-N 3.41Å; D103-I127 HydrophobicContact CB-CB 4.42Å; L104-I127 CarbonylContact C-O 3.33Å; L104-I127 WeakPolarHBondContact CA-O 3.44Å; L104-I127 PolarHBondContact N-O 2.98Å; R105-I127 HydrophobicContact CB-CG2 3.93Å; R105-I127 PolarHBondContact N-O 2.92Å; T125-I127 HydrophobicContact CG2-CD1 3.86Å; T125-I127 HydrophobicContact CG2-CG1 3.76Å; I127-N129 WeakPolarHBondContact CG2-OD1 3.45Å; I127-Q156 HydrophobicContact CB-CB 4.45Å; I127-Q156 HydrophobicContact CG1-CB 4.4Å; I127-Q156 HydrophobicContact CG1-CG 4.31Å; I127-Q156 HydrophobicContact CG2-CB 4.18Å
128	L	98.5	Very high	94.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.199	C	C	.	.			trans	-124.3	11	-176.3	-76.2	169.3	0	0	0	112.3	L104 I109 I112 L126 N131 F146 Q156 L157	L104-L128 HydrophobicContact CB-CD2 3.97Å; L104-L128 HydrophobicContact CD1-CD2 3.94Å; I109-L128 HydrophobicContact CD1-CD2 4.35Å; I112-L128 HydrophobicContact CD1-CD1 3.99Å; I112-L128 HydrophobicContact CD1-CD2 4.22Å; L126-L128 HydrophobicContact CD1-CD1 4.35Å; L126-L128 HydrophobicContact CD1-CG 4.1Å; L126-L128 HydrophobicContact CD2-CD1 3.81Å; L126-L128 HydrophobicContact CD2-CG 4.41Å; L126-L128 HydrophobicContact CG-CD1 4.01Å; L126-L128 HydrophobicContact CG-CG 4.08Å; L128-N131 PolarHBondContact O-ND2 2.85Å; L128-F146 HydrophobicContact CD1-CE1 3.89Å; L128-F146 HydrophobicContact CD1-CZ 4.17Å; L128-Q156 CarbonylContact C-O 3.12Å; L128-Q156 WeakPolarHBondContact CA-O 3.32Å; L128-Q156 PolarHBondContact N-O 3.03Å; L128-L157 HydrophobicContact CB-CD2 3.89Å; L128-L157 HydrophobicContact CD1-CD2 4.02Å
129	N	97.7	Very high	94.3	Very high	6 Å²	6	35 Å²	35	3%	0.032	19%	0.192	C	C	.	.			trans	-64	158.5	-177.5	62.4	-79.7	0	0	0	113.5	R105 N106 I127 N131 Q156 N158	R105-N129 CarbonylContact C-O 3.27Å; R105-N129 WeakPolarHBondContact CA-O 3.35Å; R105-N129 WeakPolarHBondContact CB-O 3.46Å; R105-N129 WeakPolarHBondContact CB-OD1 3.47Å; N106-N129 PolarHBondContact N-O 2.9Å; I127-N129 WeakPolarHBondContact CG2-OD1 3.45Å; N129-N131 PolarHBondContact O-ND2 3.49Å; N129-Q156 PolarHBondContact N-O 3.3Å; N129-N158 CarbonylContact C-O 3.34Å; N129-N158 WeakPolarHBondContact CA-O 3.44Å; N129-N158 HydrophobicContact CB-CB 4.32Å; N129-N158 VanDerWaalsContact CB-ND2 3.32Å; N129-N158 WeakPolarHBondContact CB-ND2 3.09Å; N129-N158 WeakPolarHBondContact CB-O 3.17Å; N129-N158 WeakPolarHBondContact CB-OD1 3.48Å
130	D	98.4	Very high	94.1	Very high	47 Å²	47	41.1 Å²	41.1	25%	0.251	22%	0.221	S	C	.	.	S	Bend	trans	55.7	58.1	179.9	-58.8	-72.5	0	0	0	111.3	N106 N107 N158 R159	N106-D130 WeakPolarHBondContact CA-O 3.47Å; N106-D130 HydrophobicContact CB-CB 4.32Å; N106-D130 PolarHBondContact N-O 2.68Å; N106-D130 VanDerWaalsContact N-O 3.16Å; N107-D130 PolarHBondContact N-O 3.17Å; D130-N158 PolarHBondContact N-O 3.19Å; D130-R159 VanDerWaalsContact CA-O 3.29Å; D130-R159 WeakPolarHBondContact CA-O 3.44Å; D130-R159 PolarHBondContact N-O 2.74Å; D130-R159 IonicContact OD1-CZ 3.18Å; D130-R159 IonicContact OD1-NE 3.01Å; D130-R159 PolarHBondContact OD1-NE 2.99Å; D130-R159 IonicContact OD1-NH2 2.66Å; D130-R159 PolarHBondContact OD1-NH2 2.91Å; D130-R159 IonicContact OD2-CZ 3.85Å; D130-R159 IonicContact OD2-NH2 3.07Å; D130-R159 PolarHBondContact OD2-NH2 2.94Å
131	N	98.4	Very high	93.8	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.07	25%	0.254	C	S	.	.			trans	-128.5	-174.5	176	-88.4	-71.3	0	0	0	109.5	L104 N107 I109 L128 N129 R159 A160	L104-N131 PolarHBondContact O-ND2 2.95Å; L104-N131 VanDerWaalsContact O-ND2 3.08Å; N107-N131 WeakPolarHBondContact CA-OD1 3.17Å; N107-N131 WeakPolarHBondContact CB-OD1 3.18Å; N107-N131 PolarHBondContact O-OD1 3.13Å; I109-N131 HydrophobicContact CB-CB 4.4Å; I109-N131 VanDerWaalsContact CB-OD1 3.3Å; I109-N131 WeakPolarHBondContact CB-OD1 3.3Å; I109-N131 WeakPolarHBondContact CG1-OD1 3.35Å; I109-N131 PolarHBondContact N-OD1 3.38Å; L128-N131 PolarHBondContact O-ND2 2.85Å; N129-N131 PolarHBondContact O-ND2 3.49Å; N131-R159 PolarHBondContact N-O 2.87Å; N131-A160 CarbonylContact C-O 3.16Å; N131-A160 CarbonylContact O-C 3.39Å
132	A	97.4	Very high	93.6	Very high	28 Å²	28	49.5 Å²	49.5	23%	0.231	26%	0.257	C	S	.	.			trans	-125.5	40.3	-173.8	0	0	0	0	0	111.8	I109 W110 R134 D162	I109-A132 CarbonylContact O-C 3.56Å; I109-A132 PolarHBondContact O-N 3.16Å; W110-A132 WeakPolarHBondContact CA-O 3.34Å; W110-A132 VanDerWaalsContact CB-O 3.3Å; W110-A132 WeakPolarHBondContact CB-O 3.5Å; A132-R134 PolarHBondContact O-N 3.25Å; A132-R134 VanDerWaalsContact O-N 3.13Å; A132-D162 WeakPolarHBondContact O-CB 3.37Å
133	L	97.5	Very high	93.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-54.8	121.8	-175.9	-65.5	174.7	0	0	0	110.4	I109 I112 A160 F161 D162 W173	I109-L133 HydrophobicContact CG2-CD2 4.02Å; I109-L133 PolarHBondContact O-N 2.97Å; I109-L133 VanDerWaalsContact O-N 3.14Å; I112-L133 HydrophobicContact CD1-CD2 3.86Å; I112-L133 HydrophobicContact CG1-CD2 3.88Å; L133-A160 WeakPolarHBondContact CB-O 3.5Å; L133-A160 HydrophobicContact CD1-CB 4.13Å; L133-A160 WeakPolarHBondContact CG-O 3.11Å; L133-A160 PolarHBondContact N-O 3.41Å; L133-F161 HydrophobicContact CB-CD1 3.85Å; L133-F161 HydrophobicContact CB-CE1 4.23Å; L133-F161 WeakPolarHBondContact O-CA 3.44Å; L133-D162 PolarHBondContact O-N 2.91Å; L133-W173 HydrophobicContact CD1-CH2 3.95Å; L133-W173 HydrophobicContact CD1-CZ2 4Å; L133-W173 HydrophobicContact CD1-CZ3 4.47Å
134	R	94.5	Very high	93.2	Very high	118 Å²	118	50.5 Å²	50.5	45%	0.445	26%	0.26	S	S	.	.			trans	-90.6	151	170.5	-68.4	-179.4	-179	169.9	4.2	108.5	W110 A132 D162	W110-R134 HydrophobicContact CB-CG 4.21Å; W110-R134 PolarHBondContact O-N 3.02Å; A132-R134 PolarHBondContact O-N 3.25Å; A132-R134 VanDerWaalsContact O-N 3.13Å; R134-D162 HydrophobicContact CG-CB 3.91Å; R134-D162 IonicContact CZ-OD2 2.81Å; R134-D162 IonicContact NE-OD2 3.32Å; R134-D162 PolarHBondContact NE-OD2 3.08Å; R134-D162 IonicContact NH2-OD2 3.32Å
135	V	89.1	Confident	93.1	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.103	25%	0.245	C	C	.	.			trans	-109.4	116.1	178	-177.7	0	0	0	0	107.2	V139 F161 E169 W173	V135-V139 HydrophobicContact CG1-CB 4.06Å; V135-V139 HydrophobicContact CG1-CG1 3.86Å; V135-V139 HydrophobicContact CG1-CG2 4.38Å; V135-F161 HydrophobicContact CG2-CD1 4.1Å; V135-F161 HydrophobicContact CG2-CE1 4.16Å; V135-E169 HydrophobicContact CB-CB 3.88Å; V135-E169 HydrophobicContact CG1-CB 4.06Å; V135-E169 HydrophobicContact CG2-CB 4.14Å; V135-W173 HydrophobicContact CB-CB 4.5Å; V135-W173 HydrophobicContact CG1-CB 4.07Å; V135-W173 HydrophobicContact CG2-CB 3.68Å; V135-W173 HydrophobicContact CG2-CG 4.11Å
136	D	84.3	Confident	92.9	Very high	79 Å²	79	46.4 Å²	46.4	42%	0.422	24%	0.24	S	C	.	.			trans	-71.5	147.4	175.6	-62.9	-40.8	0	0	0	110.4	E138 V139	D136-E138 PolarHBondContact O-N 2.98Å; D136-V139 WeakPolarHBondContact O-CB 3.37Å; D136-V139 PolarHBondContact O-N 3.1Å; D136-V139 VanDerWaalsContact O-N 3.07Å
137	A	84.1	Confident	92.7	Very high	108 Å²	108	51.1 Å²	51.1	89%	0.893	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.8	-179.9	0	0	0	0	0	113
138	E	86.4	Confident	92.4	Very high	116 Å²	116	51.2 Å²	51.2	54%	0.542	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	16.6	179.9	-55.9	-152.7	127.4	0	0	113.9	D136 E140 K141	D136-E138 PolarHBondContact O-N 2.98Å; E138-E140 PolarHBondContact O-N 2.68Å; E138-K141 HydrophobicContact CB-CD 4.38Å; E138-K141 WeakPolarHBondContact O-CB 3.43Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-K141 IonicContact OE1-NZ 3.18Å; E138-K141 PolarHBondContact OE1-NZ 2.9Å
139	V	89.7	Confident	92.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-51.5	-31.8	-177.5	69.9	0	0	0	0	113.7	V135 D136 K141 M142 R172 W173 M177	V135-V139 HydrophobicContact CG1-CB 4.06Å; V135-V139 HydrophobicContact CG1-CG1 3.86Å; V135-V139 HydrophobicContact CG1-CG2 4.38Å; D136-V139 WeakPolarHBondContact O-CB 3.37Å; D136-V139 PolarHBondContact O-N 3.1Å; D136-V139 VanDerWaalsContact O-N 3.07Å; V139-K141 PolarHBondContact O-N 3.31Å; V139-M142 HydrophobicContact CB-SD 4.5Å; V139-M142 HydrophobicContact CG2-SD 4.4Å; V139-M142 WeakPolarHBondContact O-CB 3.47Å; V139-M142 PolarHBondContact O-N 3.44Å; V139-M142 VanDerWaalsContact O-N 3.09Å; V139-R172 HydrophobicContact CG1-CB 4.21Å; V139-W173 HydrophobicContact CG2-CB 4.37Å; V139-W173 HydrophobicContact CG2-CG 4.31Å; V139-M177 HydrophobicContact CG2-CE 4.15Å
140	E	87.3	Confident	92	Very high	129 Å²	129	53 Å²	53	60%	0.603	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19.5	178.8	-65.7	175.4	-173.9	0	0	113.5	E138 R172 V176	E138-E140 PolarHBondContact O-N 2.68Å; E140-R172 IonicContact OE1-NE 2.73Å; E140-V176 HydrophobicContact CG-CG2 4.44Å
141	K	88.7	Confident	91.9	Very high	161 Å²	161	53.8 Å²	53.8	70%	0.7	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-92.5	-9.6	175.2	-57.9	179.1	-173.3	169.1	0	112.7	E138 V139	E138-K141 HydrophobicContact CB-CD 4.38Å; E138-K141 WeakPolarHBondContact O-CB 3.43Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-K141 IonicContact OE1-NZ 3.18Å; E138-K141 PolarHBondContact OE1-NZ 2.9Å; V139-K141 PolarHBondContact O-N 3.31Å
142	M	87	Confident	91.9	Very high	47 Å²	47	53.2 Å²	53.2	23%	0.232	27%	0.273	C	S	.	.	S	Bend	trans	-81.2	141.4	-176.8	-61.8	178.6	76.3	0	0	110.9	V139	V139-M142 HydrophobicContact CB-SD 4.5Å; V139-M142 HydrophobicContact CG2-SD 4.4Å; V139-M142 WeakPolarHBondContact O-CB 3.47Å; V139-M142 PolarHBondContact O-N 3.44Å; V139-M142 VanDerWaalsContact O-N 3.09Å
143	Q	91	Very high	92	Very high	87 Å²	87	56.6 Å²	56.6	41%	0.407	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-66.6	145.6	162.9	-174.7	174.9	15.6	0	0	109.5	T114 V145 W147	T114-Q143 HydrophobicContact CG2-CB 4.24Å; Q143-V145 PolarHBondContact O-N 3.08Å; Q143-W147 HydrophobicContact CG-CB 4.32Å; Q143-W147 HydrophobicContact CG-CG 4.28Å
144	S	93.5	Very high	92	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-55.9	130.4	173.8	177.8	0	0	0	0	110.9	F146 W147 M177 H180	S144-F146 PolarHBondContact O-N 3.25Å; S144-F146 PolarHBondContact OG-N 2.96Å; S144-F146 VanDerWaalsContact OG-N 3.11Å; S144-W147 WeakPolarHBondContact O-CB 3.44Å; S144-W147 PolarHBondContact O-N 3.28Å; S144-W147 VanDerWaalsContact O-N 3.16Å; S144-M177 WeakPolarHBondContact CB-O 3.15Å; S144-M177 PolarHBondContact OG-O 2.78Å; S144-H180 VanDerWaalsContact CB-O 3.27Å; S144-H180 WeakPolarHBondContact CB-O 3.4Å
145	V	94.8	Very high	92.2	Very high	2 Å²	2	53 Å²	53	1%	0.012	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.2	172.5	-55.9	0	0	0	0	111.8	I112 Q143 W173 M177	I112-V145 HydrophobicContact CB-CG1 4.25Å; I112-V145 HydrophobicContact CG2-CB 3.9Å; I112-V145 HydrophobicContact CG2-CG1 3.89Å; I112-V145 HydrophobicContact CG2-CG2 4.22Å; Q143-V145 PolarHBondContact O-N 3.08Å; V145-W173 HydrophobicContact CG2-CH2 4.41Å; V145-W173 HydrophobicContact CG2-CZ2 4.25Å; V145-M177 HydrophobicContact CB-SD 4.27Å; V145-M177 HydrophobicContact CG1-CE 4.26Å; V145-M177 HydrophobicContact CG1-SD 4.06Å; V145-M177 HydrophobicContact CG2-SD 3.81Å; V145-M177 PolarHBondContact N-SD 3.37Å
146	F	96	Very high	92.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.1	177.6	-51.3	-47.8	0	0	0	113.6	L117 L126 L128 S144 P148 L149 L155 L157 W173 M177 M183	L117-F146 HydrophobicContact CD1-CD1 4.09Å; L117-F146 HydrophobicContact CD1-CE1 4.32Å; L126-F146 HydrophobicContact CD2-CD1 3.91Å; L126-F146 HydrophobicContact CD2-CE1 3.65Å; L128-F146 HydrophobicContact CD1-CE1 3.89Å; L128-F146 HydrophobicContact CD1-CZ 4.17Å; S144-F146 PolarHBondContact O-N 3.25Å; S144-F146 PolarHBondContact OG-N 2.96Å; S144-F146 VanDerWaalsContact OG-N 3.11Å; F146-P148 VanDerWaalsContact C-N 3.31Å; F146-L149 HydrophobicContact CB-CD1 4.21Å; F146-L149 HydrophobicContact CD1-CD1 3.83Å; F146-L149 HydrophobicContact CG-CD1 4.47Å; F146-L149 PolarHBondContact O-N 2.95Å; F146-L149 VanDerWaalsContact O-N 3.12Å; F146-L155 HydrophobicContact CD2-CD2 4.13Å; F146-L155 HydrophobicContact CE1-CD1 4.1Å; F146-L155 HydrophobicContact CE2-CD2 3.93Å; F146-L155 HydrophobicContact CZ-CD1 4.03Å; F146-L155 HydrophobicContact CZ-CD2 4.27Å; F146-L157 HydrophobicContact CE2-CD1 4.08Å; F146-L157 HydrophobicContact CZ-CD1 4.15Å; F146-L157 HydrophobicContact CZ-CD2 4.08Å; F146-W173 AromaticContact CE2-CH2 3.85Å; F146-W173 HydrophobicContact CE2-CH2 3.85Å; F146-W173 HydrophobicContact CE2-CZ3 4.03Å; F146-W173 AromaticContact CZ-CH2 3.7Å; F146-W173 HydrophobicContact CZ-CH2 3.7Å; F146-W173 HydrophobicContact CZ-CZ3 4.23Å; F146-M177 HydrophobicContact CD2-CB 3.82Å; F146-M177 HydrophobicContact CE2-CB 3.8Å; F146-M177 HydrophobicContact CE2-CG 4.42Å; F146-M183 HydrophobicContact CB-CE 4.19Å; F146-M183 HydrophobicContact CB-SD 3.86Å; F146-M183 HydrophobicContact CD2-CE 4.26Å; F146-M183 HydrophobicContact CG-SD 4.33Å
147	W	93.9	Very high	93.4	Very high	100 Å²	100	50.1 Å²	50.1	38%	0.379	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.9	178.3	108.1	-93.7	0	0	0	114.5	M118 Q143 S144 L149	M118-W147 HydrophobicContact CE-CZ2 4.38Å; Q143-W147 HydrophobicContact CG-CB 4.32Å; Q143-W147 HydrophobicContact CG-CG 4.28Å; S144-W147 WeakPolarHBondContact O-CB 3.44Å; S144-W147 PolarHBondContact O-N 3.28Å; S144-W147 VanDerWaalsContact O-N 3.16Å; W147-L149 PolarHBondContact O-N 2.95Å
148	P	92.3	Very high	94	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.058	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.7	-177	32.3	-32.3	0	0	0	113	L117 F146 S150	L117-P148 HydrophobicContact CB-CG 4.32Å; L117-P148 WeakPolarHBondContact O-CG 3.12Å; F146-P148 VanDerWaalsContact C-N 3.31Å; P148-S150 VanDerWaalsContact C-N 3.34Å; P148-S150 PolarHBondContact O-N 3.04Å; P148-S150 VanDerWaalsContact O-N 3.14Å
149	L	95.1	Very high	94.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.209	C	C	.	.			trans	-92.6	56.2	-169.4	-50.9	179.8	0	0	0	112.2	L117 L120 L123 L126 F146 W147 N151 L152 M183	L117-L149 HydrophobicContact CB-CD2 4.2Å; L117-L149 HydrophobicContact CD1-CD1 3.91Å; L120-L149 HydrophobicContact CB-CD2 3.94Å; L123-L149 HydrophobicContact CB-CD2 4.23Å; L123-L149 HydrophobicContact CD2-CD1 4.37Å; L123-L149 HydrophobicContact CD2-CD2 3.96Å; L126-L149 HydrophobicContact CD2-CD1 3.69Å; F146-L149 HydrophobicContact CB-CD1 4.21Å; F146-L149 HydrophobicContact CD1-CD1 3.83Å; F146-L149 HydrophobicContact CG-CD1 4.47Å; F146-L149 PolarHBondContact O-N 2.95Å; F146-L149 VanDerWaalsContact O-N 3.12Å; W147-L149 PolarHBondContact O-N 2.95Å; L149-N151 PolarHBondContact O-N 2.83Å; L149-L152 HydrophobicContact CB-CB 4.02Å; L149-L152 HydrophobicContact CB-CD2 4.48Å; L149-L152 HydrophobicContact CD1-CD1 4.36Å; L149-L152 HydrophobicContact CD1-CD2 4.14Å; L149-L152 WeakPolarHBondContact O-CB 2.99Å; L149-L152 PolarHBondContact O-N 2.77Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L149-M183 WeakPolarHBondContact O-CG 3.48Å
150	S	93.3	Very high	95	Very high	45 Å²	45	45.7 Å²	45.7	32%	0.315	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.8	-175.3	57.6	0	0	0	0	113.9	P148 A182 N185	P148-S150 VanDerWaalsContact C-N 3.34Å; P148-S150 PolarHBondContact O-N 3.04Å; P148-S150 VanDerWaalsContact O-N 3.14Å; S150-A182 WeakPolarHBondContact CA-O 3.44Å; S150-N185 PolarHBondContact O-ND2 3.37Å
151	N	96.1	Very high	95.5	Very high	63 Å²	63	40.3 Å²	40.3	34%	0.337	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.1	177.5	-69.1	-49.3	0	0	0	114.4	D121 L123 L149 R153 N185	D121-N151 WeakPolarHBondContact O-CB 3.44Å; D121-N151 PolarHBondContact O-ND2 3.44Å; L123-N151 CarbonylContact O-C 3.5Å; L123-N151 VanDerWaalsContact O-C 3.27Å; L149-N151 PolarHBondContact O-N 2.83Å; N151-R153 PolarHBondContact O-N 2.78Å; N151-N185 PolarHBondContact OD1-ND2 2.89Å
152	L	98.3	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.			trans	-64.1	129.6	-177.7	-155.8	73.2	0	0	0	111.2	L123 L126 L149 L155 M183 N185 L186	L123-L152 HydrophobicContact CB-CD1 4.45Å; L123-L152 HydrophobicContact CD2-CD1 4.04Å; L123-L152 HydrophobicContact CG-CD1 4.11Å; L123-L152 VanDerWaalsContact O-CA 3.26Å; L123-L152 WeakPolarHBondContact O-CA 3.14Å; L123-L152 PolarHBondContact O-N 3.49Å; L126-L152 HydrophobicContact CB-CD1 3.75Å; L126-L152 HydrophobicContact CB-CD2 4.26Å; L149-L152 HydrophobicContact CB-CB 4.02Å; L149-L152 HydrophobicContact CB-CD2 4.48Å; L149-L152 HydrophobicContact CD1-CD1 4.36Å; L149-L152 HydrophobicContact CD1-CD2 4.14Å; L149-L152 WeakPolarHBondContact O-CB 2.99Å; L149-L152 PolarHBondContact O-N 2.77Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L152-L155 HydrophobicContact CD2-CB 3.84Å; L152-L155 HydrophobicContact CD2-CD1 4.13Å; L152-L155 HydrophobicContact CD2-CD2 4.47Å; L152-L155 HydrophobicContact CD2-CG 4.36Å; L152-M183 HydrophobicContact CB-CG 4.21Å; L152-M183 HydrophobicContact CB-SD 4.3Å; L152-M183 HydrophobicContact CD2-CG 4.46Å; L152-M183 HydrophobicContact CD2-SD 3.5Å; L152-M183 VanDerWaalsContact CD2-SD 3.5Å; L152-N185 CarbonylContact O-C 3.38Å; L152-L186 HydrophobicContact CB-CD1 4.29Å; L152-L186 HydrophobicContact CD2-CD1 4Å; L152-L186 HydrophobicContact CG-CD1 4.08Å; L152-L186 WeakPolarHBondContact O-CA 3.27Å; L152-L186 PolarHBondContact O-N 2.96Å
153	R	98.7	Very high	96.2	Very high	99 Å²	99	39.8 Å²	39.8	37%	0.374	18%	0.182	S	C	.	.			trans	-111.3	-33.2	178.5	-59.5	179.1	73.2	-176.2	1.9	111.8	E124 N151 E187 Y188	E124-R153 HydrophobicContact CB-CG 4.3Å; E124-R153 HydrophobicContact CG-CG 4.42Å; E124-R153 WeakPolarHBondContact O-CA 3.44Å; E124-R153 PolarHBondContact O-N 3.01Å; E124-R153 VanDerWaalsContact OE2-CD 3.23Å; E124-R153 WeakPolarHBondContact OE2-CD 3.27Å; E124-R153 IonicContact OE2-NH1 3.11Å; E124-R153 PolarHBondContact OE2-NH1 3.03Å; N151-R153 PolarHBondContact O-N 2.78Å; R153-E187 IonicContact CZ-OE1 2.67Å; R153-E187 IonicContact NE-OE1 3.74Å; R153-E187 PolarHBondContact NE-OE1 2.88Å; R153-E187 IonicContact NH2-OE1 3.54Å; R153-E187 PolarHBondContact NH2-OE1 2.84Å; R153-E187 IonicContact NH2-OE2 2.95Å; R153-E187 PolarHBondContact O-N 3.33Å; R153-Y188 PolarHBondContact O-N 3.2Å
154	I	98.9	Very high	96.4	Very high	45 Å²	45	46.2 Å²	46.2	23%	0.231	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.4	-178	-53.4	-180	0	0	0	109.3	E124 T125 L126 Q156 Y188	E124-I154 PolarHBondContact O-N 2.78Å; T125-I154 HydrophobicContact CG2-CB 4.19Å; T125-I154 HydrophobicContact CG2-CG2 4.35Å; L126-I154 PolarHBondContact N-O 2.8Å; I154-Q156 HydrophobicContact CG2-CG 4.09Å; I154-Y188 HydrophobicContact CD1-CD2 4.37Å; I154-Y188 HydrophobicContact CG1-CD2 3.84Å; I154-Y188 HydrophobicContact CG1-CG 4.19Å
155	L	98.8	Very high	96.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117	172.9	179.1	56.5	0	0	0	110	L126 F146 L152 L157 L178 M183 L186 Y188 L189 H190	L126-L155 HydrophobicContact CB-CD1 4.25Å; L126-L155 HydrophobicContact CD2-CD1 4.06Å; L126-L155 HydrophobicContact CG-CD1 4.24Å; F146-L155 HydrophobicContact CD2-CD2 4.13Å; F146-L155 HydrophobicContact CE1-CD1 4.1Å; F146-L155 HydrophobicContact CE2-CD2 3.93Å; F146-L155 HydrophobicContact CZ-CD1 4.03Å; F146-L155 HydrophobicContact CZ-CD2 4.27Å; L152-L155 HydrophobicContact CD2-CB 3.84Å; L152-L155 HydrophobicContact CD2-CD1 4.13Å; L152-L155 HydrophobicContact CD2-CD2 4.47Å; L152-L155 HydrophobicContact CD2-CG 4.36Å; L155-L157 HydrophobicContact CD1-CD1 4.26Å; L155-L157 HydrophobicContact CD1-CD2 4.37Å; L155-L157 HydrophobicContact CD1-CG 4.01Å; L155-L157 HydrophobicContact CD2-CD1 3.83Å; L155-L157 HydrophobicContact CD2-CG 4.41Å; L155-L157 HydrophobicContact CG-CD1 3.95Å; L155-L157 HydrophobicContact CG-CG 3.99Å; L155-L178 HydrophobicContact CD2-CD2 4.28Å; L155-M183 HydrophobicContact CD2-CE 3.98Å; L155-M183 HydrophobicContact CD2-SD 4.07Å; L155-L186 HydrophobicContact CB-CD1 3.81Å; L155-L186 HydrophobicContact CB-CD2 4.48Å; L155-Y188 PolarHBondContact N-O 3.32Å; L155-L189 HydrophobicContact CB-CD1 4.21Å; L155-L189 HydrophobicContact CD2-CD1 4.01Å; L155-L189 HydrophobicContact CG-CD1 4.2Å; L155-H190 PolarHBondContact O-N 3.17Å
156	Q	98.8	Very high	96.6	Very high	36 Å²	36	49.3 Å²	49.3	17%	0.168	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.7	176.1	-57	-170.8	-26.3	0	0	112.7	L126 I127 L128 N129 I154 H190	L126-Q156 PolarHBondContact O-N 3.21Å; I127-Q156 HydrophobicContact CB-CB 4.45Å; I127-Q156 HydrophobicContact CG1-CB 4.4Å; I127-Q156 HydrophobicContact CG1-CG 4.31Å; I127-Q156 HydrophobicContact CG2-CB 4.18Å; L128-Q156 CarbonylContact C-O 3.12Å; L128-Q156 WeakPolarHBondContact CA-O 3.32Å; L128-Q156 PolarHBondContact N-O 3.03Å; N129-Q156 PolarHBondContact N-O 3.3Å; I154-Q156 HydrophobicContact CG2-CG 4.09Å; Q156-H190 HydrophobicContact CB-CB 4.29Å; Q156-H190 HydrophobicContact CG-CB 4.14Å
157	L	98.4	Very high	96.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.236	C	C	.	.			trans	-125.4	25.9	179.2	-66.4	170.8	0	0	0	111.5	L128 F146 L155 R159 A160 W173 H190 V191 N194	L128-L157 HydrophobicContact CB-CD2 3.89Å; L128-L157 HydrophobicContact CD1-CD2 4.02Å; F146-L157 HydrophobicContact CE2-CD1 4.08Å; F146-L157 HydrophobicContact CZ-CD1 4.15Å; F146-L157 HydrophobicContact CZ-CD2 4.08Å; L155-L157 HydrophobicContact CD1-CD1 4.26Å; L155-L157 HydrophobicContact CD1-CD2 4.37Å; L155-L157 HydrophobicContact CD1-CG 4.01Å; L155-L157 HydrophobicContact CD2-CD1 3.83Å; L155-L157 HydrophobicContact CD2-CG 4.41Å; L155-L157 HydrophobicContact CG-CD1 3.95Å; L155-L157 HydrophobicContact CG-CG 3.99Å; L157-R159 PolarHBondContact O-N 3.11Å; L157-A160 HydrophobicContact CB-CB 4.19Å; L157-A160 HydrophobicContact CD2-CB 4.29Å; L157-A160 VanDerWaalsContact O-CB 3.22Å; L157-A160 WeakPolarHBondContact O-CB 3.06Å; L157-W173 HydrophobicContact CD1-CZ3 4.19Å; L157-W173 HydrophobicContact CD2-CZ3 4.47Å; L157-H190 CarbonylContact C-O 3.3Å; L157-H190 WeakPolarHBondContact CA-O 3.26Å; L157-H190 WeakPolarHBondContact CB-O 3.39Å; L157-H190 PolarHBondContact N-O 2.03Å; L157-V191 HydrophobicContact CB-CG1 4.31Å; L157-N194 PolarHBondContact O-ND2 3.2Å; L157-N194 PolarHBondContact O-OD1 2.94Å
158	N	98	Very high	96.7	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.07	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	134.4	178.6	60.5	-83.1	0	0	0	112	N129 D130 A160 E192	N129-N158 CarbonylContact C-O 3.34Å; N129-N158 WeakPolarHBondContact CA-O 3.44Å; N129-N158 HydrophobicContact CB-CB 4.32Å; N129-N158 VanDerWaalsContact CB-ND2 3.32Å; N129-N158 WeakPolarHBondContact CB-ND2 3.09Å; N129-N158 WeakPolarHBondContact CB-O 3.17Å; N129-N158 WeakPolarHBondContact CB-OD1 3.48Å; D130-N158 PolarHBondContact N-O 3.19Å; N158-A160 PolarHBondContact O-N 2.92Å; N158-E192 CarbonylContact C-O 3.51Å; N158-E192 WeakPolarHBondContact CA-O 3.29Å; N158-E192 HydrophobicContact CB-CG 3.55Å; N158-E192 VanDerWaalsContact CB-O 3.29Å; N158-E192 WeakPolarHBondContact CB-O 3.25Å
159	R	98.2	Very high	96.9	Very high	122 Å²	122	54.5 Å²	54.5	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	46.7	-175.4	-58.9	-176.6	-62.4	-80.2	-5.7	112.1	D130 N131 L157 E192 N194	D130-R159 VanDerWaalsContact CA-O 3.29Å; D130-R159 WeakPolarHBondContact CA-O 3.44Å; D130-R159 PolarHBondContact N-O 2.74Å; D130-R159 IonicContact OD1-CZ 3.18Å; D130-R159 IonicContact OD1-NE 3.01Å; D130-R159 PolarHBondContact OD1-NE 2.99Å; D130-R159 IonicContact OD1-NH2 2.66Å; D130-R159 PolarHBondContact OD1-NH2 2.91Å; D130-R159 IonicContact OD2-CZ 3.85Å; D130-R159 IonicContact OD2-NH2 3.07Å; D130-R159 PolarHBondContact OD2-NH2 2.94Å; N131-R159 PolarHBondContact N-O 2.87Å; L157-R159 PolarHBondContact O-N 3.11Å; R159-E192 PolarHBondContact N-O 3.25Å; R159-N194 WeakPolarHBondContact CA-OD1 3.29Å; R159-N194 PolarHBondContact N-OD1 3.13Å
160	A	98.2	Very high	96.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.255	C	S	.	.			trans	-89.4	-12.6	-170.8	0	0	0	0	0	114.3	N131 L133 L157 N158 N194	N131-A160 CarbonylContact C-O 3.16Å; N131-A160 CarbonylContact O-C 3.39Å; L133-A160 WeakPolarHBondContact CB-O 3.5Å; L133-A160 HydrophobicContact CD1-CB 4.13Å; L133-A160 WeakPolarHBondContact CG-O 3.11Å; L133-A160 PolarHBondContact N-O 3.41Å; L157-A160 HydrophobicContact CB-CB 4.19Å; L157-A160 HydrophobicContact CD2-CB 4.29Å; L157-A160 VanDerWaalsContact O-CB 3.22Å; L157-A160 WeakPolarHBondContact O-CB 3.06Å; N158-A160 PolarHBondContact O-N 2.92Å; A160-N194 PolarHBondContact N-OD1 3.17Å
161	F	97.8	Very high	97.1	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.066	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-108	150.7	-169.3	-62.9	-82.8	0	0	0	113.7	L133 V135 E163 R170 W173 V174 N194	L133-F161 HydrophobicContact CB-CD1 3.85Å; L133-F161 HydrophobicContact CB-CE1 4.23Å; L133-F161 WeakPolarHBondContact O-CA 3.44Å; V135-F161 HydrophobicContact CG2-CD1 4.1Å; V135-F161 HydrophobicContact CG2-CE1 4.16Å; F161-E163 PolarHBondContact O-N 3.25Å; F161-R170 HydrophobicContact CB-CG 3.69Å; F161-R170 HydrophobicContact CD1-CB 4.34Å; F161-R170 HydrophobicContact CD1-CG 3.99Å; F161-R170 HydrophobicContact CD2-CB 4.04Å; F161-R170 HydrophobicContact CD2-CG 3.97Å; F161-R170 HydrophobicContact CE2-CB 4.28Å; F161-R170 HydrophobicContact CG-CB 4.09Å; F161-R170 HydrophobicContact CG-CG 3.6Å; F161-W173 HydrophobicContact CE1-CB 3.86Å; F161-W173 AromaticContact CE1-CD2 3.74Å; F161-W173 HydrophobicContact CE1-CD2 3.74Å; F161-W173 AromaticContact CE1-CE3 3.77Å; F161-W173 HydrophobicContact CE1-CE3 3.77Å; F161-W173 AromaticContact CE1-CG 3.8Å; F161-W173 HydrophobicContact CE1-CG 3.8Å; F161-W173 HydrophobicContact CZ-CB 4.3Å; F161-W173 HydrophobicContact CZ-CD2 4.03Å; F161-W173 AromaticContact CZ-CE3 3.54Å; F161-W173 HydrophobicContact CZ-CE3 3.54Å; F161-W173 HydrophobicContact CZ-CG 4.37Å; F161-W173 HydrophobicContact CZ-CZ3 4.19Å; F161-V174 HydrophobicContact CE2-CG2 3.78Å; F161-V174 HydrophobicContact CZ-CG2 3.58Å; F161-N194 HydrophobicContact CD2-CB 4.11Å; F161-N194 WeakPolarHBondContact CD2-OD1 3.46Å; F161-N194 HydrophobicContact CE2-CB 4.29Å
162	D	96.7	Very high	97	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.107	24%	0.243	C	C	.	.			trans	-54.4	135.8	170.4	-167.2	-54.5	0	0	0	110.2	A132 L133 R134 R164 S165 R170	A132-D162 WeakPolarHBondContact O-CB 3.37Å; L133-D162 PolarHBondContact O-N 2.91Å; R134-D162 HydrophobicContact CG-CB 3.91Å; R134-D162 IonicContact CZ-OD2 2.81Å; R134-D162 IonicContact NE-OD2 3.32Å; R134-D162 PolarHBondContact NE-OD2 3.08Å; R134-D162 IonicContact NH2-OD2 3.32Å; D162-R164 PolarHBondContact O-N 2.85Å; D162-R164 VanDerWaalsContact OD1-CB 3.23Å; D162-R164 WeakPolarHBondContact OD1-CB 3.4Å; D162-R164 WeakPolarHBondContact OD1-CG 3.48Å; D162-R164 PolarHBondContact OD1-N 3.2Å; D162-S165 WeakPolarHBondContact O-CB 3.35Å; D162-S165 PolarHBondContact O-N 3.38Å; D162-R170 PolarHBondContact O-NE 3.03Å; D162-R170 PolarHBondContact O-NH2 3.17Å
163	E	94.1	Very high	96.9	Very high	178 Å²	178	55.1 Å²	55.1	83%	0.832	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.3	179.9	-65.9	-172.1	162.9	0	0	112.6	F161 R170	F161-E163 PolarHBondContact O-N 3.25Å; E163-R170 VanDerWaalsContact C-NH2 3.29Å; E163-R170 VanDerWaalsContact CA-NH2 3.34Å; E163-R170 PolarHBondContact O-NH2 2.76Å
164	R	95.1	Very high	96.8	Very high	222 Å²	222	50.5 Å²	50.5	84%	0.838	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.5	178.1	-58.5	176.7	179.4	-173.1	0.2	113	D162 S166	D162-R164 PolarHBondContact O-N 2.85Å; D162-R164 VanDerWaalsContact OD1-CB 3.23Å; D162-R164 WeakPolarHBondContact OD1-CB 3.4Å; D162-R164 WeakPolarHBondContact OD1-CG 3.48Å; D162-R164 PolarHBondContact OD1-N 3.2Å; R164-S166 PolarHBondContact O-N 3.21Å
165	S	95.2	Very high	96.7	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.091	22%	0.224	C	C	.	.	S	Bend	trans	-64.8	132.1	176.7	-61.3	0	0	0	0	110.1	D162 R170	D162-S165 WeakPolarHBondContact O-CB 3.35Å; D162-S165 PolarHBondContact O-N 3.38Å; S165-R170 PolarHBondContact O-NE 3.28Å; S165-R170 PolarHBondContact O-NH2 3.37Å
166	S	96	Very high	96.5	Very high	54 Å²	54	50.1 Å²	50.1	38%	0.378	23%	0.228	S	C	.	.			trans	-67.8	152.8	176.8	69.3	0	0	0	0	111.6	R164 K168 E169 R170	R164-S166 PolarHBondContact O-N 3.21Å; S166-K168 PolarHBondContact O-N 3.35Å; S166-K168 VanDerWaalsContact O-N 3.09Å; S166-E169 VanDerWaalsContact CB-OE2 3.27Å; S166-E169 WeakPolarHBondContact CB-OE2 3.23Å; S166-E169 PolarHBondContact N-OE2 3.2Å; S166-E169 WeakPolarHBondContact O-CB 3.41Å; S166-E169 PolarHBondContact O-N 2.88Å; S166-E169 WeakPolarHBondContact OG-CB 3.08Å; S166-E169 VanDerWaalsContact OG-CG 3.27Å; S166-E169 WeakPolarHBondContact OG-CG 3.36Å; S166-E169 PolarHBondContact OG-N 2.69Å; S166-E169 PolarHBondContact OG-OE2 2.82Å; S166-R170 WeakPolarHBondContact O-CG 3.27Å; S166-R170 PolarHBondContact O-N 3.49Å
167	S	96.7	Very high	96.3	Very high	37 Å²	37	48.5 Å²	48.5	26%	0.259	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-32	173.6	-67.8	0	0	0	0	113.5	L171 Q195 P197	S167-L171 WeakPolarHBondContact O-CB 3.21Å; S167-L171 PolarHBondContact O-N 2.88Å; S167-L171 VanDerWaalsContact O-N 3.13Å; S167-Q195 VanDerWaalsContact CB-O 3.26Å; S167-Q195 WeakPolarHBondContact CB-O 3.37Å; S167-Q195 PolarHBondContact OG-O 2.97Å; S167-P197 WeakPolarHBondContact O-CD 3.23Å
168	K	95.7	Very high	96.2	Very high	112 Å²	112	48.5 Å²	48.5	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-72.7	-41.4	178	-172.1	179.3	-177	-178.9	0	111.9	S166 L171 R172	S166-K168 PolarHBondContact O-N 3.35Å; S166-K168 VanDerWaalsContact O-N 3.09Å; K168-L171 PolarHBondContact O-N 2.94Å; K168-R172 WeakPolarHBondContact O-CG 3.35Å; K168-R172 PolarHBondContact O-N 3.45Å
169	E	95.8	Very high	96	Very high	69 Å²	69	51.1 Å²	51.1	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-48.3	175.3	-77.6	161.1	153.4	0	0	111.2	V135 S166 L171 R172 W173	V135-E169 HydrophobicContact CB-CB 3.88Å; V135-E169 HydrophobicContact CG1-CB 4.06Å; V135-E169 HydrophobicContact CG2-CB 4.14Å; S166-E169 VanDerWaalsContact CB-OE2 3.27Å; S166-E169 WeakPolarHBondContact CB-OE2 3.23Å; S166-E169 PolarHBondContact N-OE2 3.2Å; S166-E169 WeakPolarHBondContact O-CB 3.41Å; S166-E169 PolarHBondContact O-N 2.88Å; S166-E169 WeakPolarHBondContact OG-CB 3.08Å; S166-E169 VanDerWaalsContact OG-CG 3.27Å; S166-E169 WeakPolarHBondContact OG-CG 3.36Å; S166-E169 PolarHBondContact OG-N 2.69Å; S166-E169 PolarHBondContact OG-OE2 2.82Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.01Å; E169-R172 WeakPolarHBondContact O-CB 3.17Å; E169-R172 PolarHBondContact O-N 3.48Å; E169-R172 VanDerWaalsContact O-N 3.1Å; E169-W173 PolarHBondContact O-N 3.08Å
170	R	96.4	Very high	95.7	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-55.4	-45.1	175.9	-62.6	-178.9	-173.3	136.8	1.5	111.5	F161 D162 E163 S165 S166 W173 V174 N194 L196	F161-R170 HydrophobicContact CB-CG 3.69Å; F161-R170 HydrophobicContact CD1-CB 4.34Å; F161-R170 HydrophobicContact CD1-CG 3.99Å; F161-R170 HydrophobicContact CD2-CB 4.04Å; F161-R170 HydrophobicContact CD2-CG 3.97Å; F161-R170 HydrophobicContact CE2-CB 4.28Å; F161-R170 HydrophobicContact CG-CB 4.09Å; F161-R170 HydrophobicContact CG-CG 3.6Å; D162-R170 PolarHBondContact O-NE 3.03Å; D162-R170 PolarHBondContact O-NH2 3.17Å; E163-R170 VanDerWaalsContact C-NH2 3.29Å; E163-R170 VanDerWaalsContact CA-NH2 3.34Å; E163-R170 PolarHBondContact O-NH2 2.76Å; S165-R170 PolarHBondContact O-NE 3.28Å; S165-R170 PolarHBondContact O-NH2 3.37Å; S166-R170 WeakPolarHBondContact O-CG 3.27Å; S166-R170 PolarHBondContact O-N 3.49Å; R170-W173 PolarHBondContact O-N 2.86Å; R170-V174 WeakPolarHBondContact O-CG2 3.42Å; R170-V174 PolarHBondContact O-N 2.84Å; R170-V174 VanDerWaalsContact O-N 3.08Å; R170-N194 WeakPolarHBondContact CD-O 3.32Å; R170-L196 HydrophobicContact CB-CD2 4.23Å
171	L	96.6	Very high	95.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176.3	178.8	60.8	0	0	0	112.6	S167 K168 E169 W173 V174 T175 L196 P197 Y198 L199 M203	S167-L171 WeakPolarHBondContact O-CB 3.21Å; S167-L171 PolarHBondContact O-N 2.88Å; S167-L171 VanDerWaalsContact O-N 3.13Å; K168-L171 PolarHBondContact O-N 2.94Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.01Å; L171-W173 PolarHBondContact O-N 3.16Å; L171-V174 PolarHBondContact O-N 3.22Å; L171-T175 WeakPolarHBondContact O-CB 3.2Å; L171-T175 PolarHBondContact O-N 3.06Å; L171-T175 PolarHBondContact O-OG1 2.84Å; L171-L196 HydrophobicContact CB-CD2 4.16Å; L171-L196 HydrophobicContact CD1-CD2 4.35Å; L171-P197 HydrophobicContact CD2-CG 4.19Å; L171-Y198 WeakPolarHBondContact CD1-O 3.11Å; L171-Y198 HydrophobicContact CD2-CD1 3.92Å; L171-Y198 HydrophobicContact CD2-CD2 3.81Å; L171-Y198 HydrophobicContact CD2-CE1 3.63Å; L171-Y198 HydrophobicContact CD2-CE2 3.53Å; L171-Y198 HydrophobicContact CD2-CG 3.99Å; L171-Y198 VanDerWaalsContact CD2-CZ 3.42Å; L171-Y198 WeakPolarHBondContact CD2-O 3.49Å; L171-L199 HydrophobicContact CD1-CD2 4.14Å; L171-M203 HydrophobicContact CD1-CE 3.73Å
172	R	95.1	Very high	95.1	Very high	97 Å²	97	52.8 Å²	52.8	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-47	177.9	-78.1	169.2	164	170	-7.5	111.4	V139 E140 K168 E169 T175 V176	V139-R172 HydrophobicContact CG1-CB 4.21Å; E140-R172 IonicContact OE1-NE 2.73Å; K168-R172 WeakPolarHBondContact O-CG 3.35Å; K168-R172 PolarHBondContact O-N 3.45Å; E169-R172 WeakPolarHBondContact O-CB 3.17Å; E169-R172 PolarHBondContact O-N 3.48Å; E169-R172 VanDerWaalsContact O-N 3.1Å; R172-T175 PolarHBondContact O-N 3.26Å; R172-V176 WeakPolarHBondContact O-CG2 3.22Å; R172-V176 PolarHBondContact O-N 3.36Å
173	W	95.9	Very high	95	Very high	14 Å²	14	51.8 Å²	51.8	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-52.7	177.8	-168.5	101.7	0	0	0	111.1	L133 V135 V139 V145 F146 L157 F161 E169 R170 L171 T175 V176 M177	L133-W173 HydrophobicContact CD1-CH2 3.95Å; L133-W173 HydrophobicContact CD1-CZ2 4Å; L133-W173 HydrophobicContact CD1-CZ3 4.47Å; V135-W173 HydrophobicContact CB-CB 4.5Å; V135-W173 HydrophobicContact CG1-CB 4.07Å; V135-W173 HydrophobicContact CG2-CB 3.68Å; V135-W173 HydrophobicContact CG2-CG 4.11Å; V139-W173 HydrophobicContact CG2-CB 4.37Å; V139-W173 HydrophobicContact CG2-CG 4.31Å; V145-W173 HydrophobicContact CG2-CH2 4.41Å; V145-W173 HydrophobicContact CG2-CZ2 4.25Å; F146-W173 AromaticContact CE2-CH2 3.85Å; F146-W173 HydrophobicContact CE2-CH2 3.85Å; F146-W173 HydrophobicContact CE2-CZ3 4.03Å; F146-W173 AromaticContact CZ-CH2 3.7Å; F146-W173 HydrophobicContact CZ-CH2 3.7Å; F146-W173 HydrophobicContact CZ-CZ3 4.23Å; L157-W173 HydrophobicContact CD1-CZ3 4.19Å; L157-W173 HydrophobicContact CD2-CZ3 4.47Å; F161-W173 HydrophobicContact CE1-CB 3.86Å; F161-W173 AromaticContact CE1-CD2 3.74Å; F161-W173 HydrophobicContact CE1-CD2 3.74Å; F161-W173 AromaticContact CE1-CE3 3.77Å; F161-W173 HydrophobicContact CE1-CE3 3.77Å; F161-W173 AromaticContact CE1-CG 3.8Å; F161-W173 HydrophobicContact CE1-CG 3.8Å; F161-W173 HydrophobicContact CZ-CB 4.3Å; F161-W173 HydrophobicContact CZ-CD2 4.03Å; F161-W173 AromaticContact CZ-CE3 3.54Å; F161-W173 HydrophobicContact CZ-CE3 3.54Å; F161-W173 HydrophobicContact CZ-CG 4.37Å; F161-W173 HydrophobicContact CZ-CZ3 4.19Å; E169-W173 PolarHBondContact O-N 3.08Å; R170-W173 PolarHBondContact O-N 2.86Å; L171-W173 PolarHBondContact O-N 3.16Å; W173-T175 VanDerWaalsContact C-N 3.27Å; W173-T175 PolarHBondContact O-N 2.98Å; W173-V176 PolarHBondContact O-N 2.99Å; W173-M177 HydrophobicContact CD2-CE 4.34Å; W173-M177 HydrophobicContact CD2-CG 3.6Å; W173-M177 HydrophobicContact CE3-CB 4.17Å; W173-M177 HydrophobicContact CE3-CG 3.56Å; W173-M177 HydrophobicContact CG-CE 4.5Å; W173-M177 HydrophobicContact CG-CG 4.36Å; W173-M177 HydrophobicContact CH2-CB 4.35Å; W173-M177 HydrophobicContact CH2-CG 3.7Å; W173-M177 HydrophobicContact CZ2-CE 4.22Å; W173-M177 HydrophobicContact CZ2-CG 3.71Å; W173-M177 HydrophobicContact CZ2-SD 4.22Å; W173-M177 HydrophobicContact CZ3-CB 4.02Å; W173-M177 HydrophobicContact CZ3-CG 3.63Å; W173-M177 WeakPolarHBondContact O-CB 3.33Å; W173-M177 WeakPolarHBondContact O-CG 2.82Å; W173-M177 PolarHBondContact O-N 3.5Å
174	V	96.8	Very high	95.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-43.4	178.3	176.5	0	0	0	0	110.8	F161 R170 L171 M177 L178 V191 M203	F161-V174 HydrophobicContact CE2-CG2 3.78Å; F161-V174 HydrophobicContact CZ-CG2 3.58Å; R170-V174 WeakPolarHBondContact O-CG2 3.42Å; R170-V174 PolarHBondContact O-N 2.84Å; R170-V174 VanDerWaalsContact O-N 3.08Å; L171-V174 PolarHBondContact O-N 3.22Å; V174-M177 PolarHBondContact O-N 3.02Å; V174-L178 HydrophobicContact CG1-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CG 4.21Å; V174-L178 WeakPolarHBondContact O-CB 3.21Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.17Å; V174-L178 PolarHBondContact O-N 3.03Å; V174-V191 HydrophobicContact CG1-CG1 4.46Å; V174-M203 HydrophobicContact CG1-CE 4.23Å
175	T	95.6	Very high	95.2	Very high	24 Å²	24	39 Å²	39	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-50.5	179.6	-53	0	0	0	0	111.6	L171 R172 W173 M177 L178 N179 P200 M203	L171-T175 WeakPolarHBondContact O-CB 3.2Å; L171-T175 PolarHBondContact O-N 3.06Å; L171-T175 PolarHBondContact O-OG1 2.84Å; R172-T175 PolarHBondContact O-N 3.26Å; W173-T175 VanDerWaalsContact C-N 3.27Å; W173-T175 PolarHBondContact O-N 2.98Å; T175-M177 PolarHBondContact O-N 3.5Å; T175-L178 PolarHBondContact O-N 3.22Å; T175-N179 WeakPolarHBondContact CG2-ND2 3.22Å; T175-N179 WeakPolarHBondContact O-CB 3.42Å; T175-N179 PolarHBondContact O-N 3.06Å; T175-N179 PolarHBondContact O-OD1 3.09Å; T175-P200 HydrophobicContact CG2-CG 4.27Å; T175-M203 HydrophobicContact CG2-CE 4.28Å; T175-M203 WeakPolarHBondContact OG1-CE 3.44Å
176	V	95	Very high	95.4	Very high	13 Å²	13	38.4 Å²	38.4	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-45.1	-179	171.7	0	0	0	0	111.1	E140 R172 W173 L178 H180	E140-V176 HydrophobicContact CG-CG2 4.44Å; R172-V176 WeakPolarHBondContact O-CG2 3.22Å; R172-V176 PolarHBondContact O-N 3.36Å; W173-V176 PolarHBondContact O-N 2.99Å; V176-L178 PolarHBondContact O-N 3.02Å; V176-H180 PolarHBondContact O-N 3.25Å; V176-H180 PolarHBondContact O-ND1 2.86Å
177	M	95.7	Very high	95.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-36.9	-176.5	-63.9	-58.3	156.7	0	0	112.1	V139 S144 V145 F146 W173 V174 T175 S181	V139-M177 HydrophobicContact CG2-CE 4.15Å; S144-M177 WeakPolarHBondContact CB-O 3.15Å; S144-M177 PolarHBondContact OG-O 2.78Å; V145-M177 HydrophobicContact CB-SD 4.27Å; V145-M177 HydrophobicContact CG1-CE 4.26Å; V145-M177 HydrophobicContact CG1-SD 4.06Å; V145-M177 HydrophobicContact CG2-SD 3.81Å; V145-M177 PolarHBondContact N-SD 3.37Å; F146-M177 HydrophobicContact CD2-CB 3.82Å; F146-M177 HydrophobicContact CE2-CB 3.8Å; F146-M177 HydrophobicContact CE2-CG 4.42Å; W173-M177 HydrophobicContact CD2-CE 4.34Å; W173-M177 HydrophobicContact CD2-CG 3.6Å; W173-M177 HydrophobicContact CE3-CB 4.17Å; W173-M177 HydrophobicContact CE3-CG 3.56Å; W173-M177 HydrophobicContact CG-CE 4.5Å; W173-M177 HydrophobicContact CG-CG 4.36Å; W173-M177 HydrophobicContact CH2-CB 4.35Å; W173-M177 HydrophobicContact CH2-CG 3.7Å; W173-M177 HydrophobicContact CZ2-CE 4.22Å; W173-M177 HydrophobicContact CZ2-CG 3.71Å; W173-M177 HydrophobicContact CZ2-SD 4.22Å; W173-M177 HydrophobicContact CZ3-CB 4.02Å; W173-M177 HydrophobicContact CZ3-CG 3.63Å; W173-M177 WeakPolarHBondContact O-CB 3.33Å; W173-M177 WeakPolarHBondContact O-CG 2.82Å; W173-M177 PolarHBondContact O-N 3.5Å; V174-M177 PolarHBondContact O-N 3.02Å; T175-M177 PolarHBondContact O-N 3.5Å; M177-S181 WeakPolarHBondContact O-CB 3.46Å
178	L	96.4	Very high	95.6	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-77.1	-45.8	175.5	-63	-177.7	0	0	0	112.1	L155 V174 T175 V176 H180 S181 M183 L189 M203 L207	L155-L178 HydrophobicContact CD2-CD2 4.28Å; V174-L178 HydrophobicContact CG1-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CG 4.21Å; V174-L178 WeakPolarHBondContact O-CB 3.21Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.17Å; V174-L178 PolarHBondContact O-N 3.03Å; T175-L178 PolarHBondContact O-N 3.22Å; V176-L178 PolarHBondContact O-N 3.02Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 3.31Å; L178-S181 WeakPolarHBondContact O-CB 3.41Å; L178-S181 PolarHBondContact O-N 2.73Å; L178-S181 PolarHBondContact O-OG 2.81Å; L178-M183 HydrophobicContact CD2-CE 3.61Å; L178-L189 HydrophobicContact CD1-CD2 3.86Å; L178-L189 HydrophobicContact CD2-CD1 4.43Å; L178-M203 HydrophobicContact CD1-CG 4.19Å; L178-L207 HydrophobicContact CD1-CD1 4.38Å; L178-L207 HydrophobicContact CD2-CD1 4.29Å
179	N	93.4	Very high	95.8	Very high	67 Å²	67	33.7 Å²	33.7	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-36.7	-175.8	-77.7	6.2	0	0	0	113.7	T175	T175-N179 WeakPolarHBondContact CG2-ND2 3.22Å; T175-N179 WeakPolarHBondContact O-CB 3.42Å; T175-N179 PolarHBondContact O-N 3.06Å; T175-N179 PolarHBondContact O-OD1 3.09Å
180	H	91.5	Very high	95.9	Very high	116 Å²	116	31.7 Å²	31.7	54%	0.537	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	23.9	-178	-54.7	102.7	0	0	0	112.6	S144 V176 L178	S144-H180 VanDerWaalsContact CB-O 3.27Å; S144-H180 WeakPolarHBondContact CB-O 3.4Å; V176-H180 PolarHBondContact O-N 3.25Å; V176-H180 PolarHBondContact O-ND1 2.86Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 3.31Å
181	S	92.7	Very high	96	Very high	17 Å²	17	31.5 Å²	31.5	12%	0.119	16%	0.16	C	C	.	.			trans	-89.4	161.7	173	71.5	0	0	0	0	111.9	M177 L178 M183	M177-S181 WeakPolarHBondContact O-CB 3.46Å; L178-S181 WeakPolarHBondContact O-CB 3.41Å; L178-S181 PolarHBondContact O-N 2.73Å; L178-S181 PolarHBondContact O-OG 2.81Å; S181-M183 WeakPolarHBondContact OG-CE 3.2Å
182	A	89.8	Confident	96.1	Very high	39 Å²	39	32.4 Å²	32.4	32%	0.322	16%	0.164	S	C	.	.			trans	-106	22.9	170.3	0	0	0	0	0	112	S150 T184	S150-A182 WeakPolarHBondContact CA-O 3.44Å; A182-T184 PolarHBondContact O-N 3.13Å
183	M	95.6	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.			trans	-77.7	56.5	-171.2	-62.2	-177.5	-64	0	0	112.6	F146 L149 L152 L155 L178 S181 N185 L186 L207	F146-M183 HydrophobicContact CB-CE 4.19Å; F146-M183 HydrophobicContact CB-SD 3.86Å; F146-M183 HydrophobicContact CD2-CE 4.26Å; F146-M183 HydrophobicContact CG-SD 4.33Å; L149-M183 WeakPolarHBondContact O-CG 3.48Å; L152-M183 HydrophobicContact CB-CG 4.21Å; L152-M183 HydrophobicContact CB-SD 4.3Å; L152-M183 HydrophobicContact CD2-CG 4.46Å; L152-M183 HydrophobicContact CD2-SD 3.5Å; L152-M183 VanDerWaalsContact CD2-SD 3.5Å; L155-M183 HydrophobicContact CD2-CE 3.98Å; L155-M183 HydrophobicContact CD2-SD 4.07Å; L178-M183 HydrophobicContact CD2-CE 3.61Å; S181-M183 WeakPolarHBondContact OG-CE 3.2Å; M183-N185 PolarHBondContact O-N 2.82Å; M183-L186 HydrophobicContact CB-CB 4.15Å; M183-L186 HydrophobicContact CE-CD2 4.46Å; M183-L186 WeakPolarHBondContact O-CB 3.36Å; M183-L186 PolarHBondContact O-N 2.92Å; M183-L186 HydrophobicContact SD-CD1 4.38Å; M183-L207 HydrophobicContact CB-CD2 4.03Å; M183-L207 HydrophobicContact CE-CD2 4.09Å
184	T	95.8	Very high	96.4	Very high	68 Å²	68	28.3 Å²	28.3	42%	0.417	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23	-177.2	54.4	0	0	0	0	112.7	A182 N209	A182-T184 PolarHBondContact O-N 3.13Å; T184-N209 WeakPolarHBondContact O-CB 3.35Å; T184-N209 PolarHBondContact O-ND2 3.13Å
185	N	97.8	Very high	96.4	Very high	63 Å²	63	32.7 Å²	32.7	34%	0.337	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.7	179.6	-65.6	-28.2	0	0	0	113.8	S150 N151 L152 M183 E187	S150-N185 PolarHBondContact O-ND2 3.37Å; N151-N185 PolarHBondContact OD1-ND2 2.89Å; L152-N185 CarbonylContact O-C 3.38Å; M183-N185 PolarHBondContact O-N 2.82Å; N185-E187 PolarHBondContact O-N 2.89Å
186	L	98.6	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.			trans	-66.3	122.6	-176.5	-162.2	77.6	0	0	0	111	L152 L155 M183 L189 L207 N209 L210	L152-L186 HydrophobicContact CB-CD1 4.29Å; L152-L186 HydrophobicContact CD2-CD1 4Å; L152-L186 HydrophobicContact CG-CD1 4.08Å; L152-L186 WeakPolarHBondContact O-CA 3.27Å; L152-L186 PolarHBondContact O-N 2.96Å; L155-L186 HydrophobicContact CB-CD1 3.81Å; L155-L186 HydrophobicContact CB-CD2 4.48Å; M183-L186 HydrophobicContact CB-CB 4.15Å; M183-L186 HydrophobicContact CE-CD2 4.46Å; M183-L186 WeakPolarHBondContact O-CB 3.36Å; M183-L186 PolarHBondContact O-N 2.92Å; M183-L186 HydrophobicContact SD-CD1 4.38Å; L186-L189 HydrophobicContact CD2-CB 4.12Å; L186-L189 HydrophobicContact CD2-CD1 4.29Å; L186-L207 HydrophobicContact CB-CD2 4.22Å; L186-L207 HydrophobicContact CD2-CD1 3.97Å; L186-L207 HydrophobicContact CD2-CD2 3.91Å; L186-L207 HydrophobicContact CD2-CG 4.45Å; L186-N209 CarbonylContact O-C 3.53Å; L186-L210 HydrophobicContact CD2-CD1 4.34Å; L186-L210 VanDerWaalsContact O-CA 3.25Å; L186-L210 WeakPolarHBondContact O-CA 3.3Å; L186-L210 PolarHBondContact O-N 2.98Å; L186-L210 VanDerWaalsContact O-N 3.13Å
187	E	98.7	Very high	96.6	Very high	37 Å²	37	32.8 Å²	32.8	17%	0.173	18%	0.178	C	C	.	.			trans	-107.8	-36.9	179.8	-69.6	176.3	-152.1	0	0	111.7	R153 N185 Q211 F212	R153-E187 IonicContact CZ-OE1 2.67Å; R153-E187 IonicContact NE-OE1 3.74Å; R153-E187 PolarHBondContact NE-OE1 2.88Å; R153-E187 IonicContact NH2-OE1 3.54Å; R153-E187 PolarHBondContact NH2-OE1 2.84Å; R153-E187 IonicContact NH2-OE2 2.95Å; R153-E187 PolarHBondContact O-N 3.33Å; N185-E187 PolarHBondContact O-N 2.89Å; E187-Q211 PolarHBondContact O-N 3.03Å; E187-F212 PolarHBondContact O-N 2.93Å
188	Y	98.9	Very high	96.7	Very high	68 Å²	68	37 Å²	37	27%	0.267	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.4	-176.2	-60.9	-105.5	0	0	0	110.5	R153 I154 L155 F212 Y214	R153-Y188 PolarHBondContact O-N 3.2Å; I154-Y188 HydrophobicContact CD1-CD2 4.37Å; I154-Y188 HydrophobicContact CG1-CD2 3.84Å; I154-Y188 HydrophobicContact CG1-CG 4.19Å; L155-Y188 PolarHBondContact N-O 3.32Å; Y188-F212 WeakPolarHBondContact CA-O 3.13Å; Y188-F212 HydrophobicContact CD1-CB 3.5Å; Y188-F212 VanDerWaalsContact CD1-CB 3.5Å; Y188-F212 HydrophobicContact CD1-CD1 4.39Å; Y188-F212 AromaticContact CD1-CD2 3.62Å; Y188-F212 HydrophobicContact CD1-CD2 3.62Å; Y188-F212 HydrophobicContact CD1-CE2 4.47Å; Y188-F212 AromaticContact CD1-CG 3.59Å; Y188-F212 HydrophobicContact CD1-CG 3.59Å; Y188-F212 HydrophobicContact CD2-CD2 4.15Å; Y188-F212 HydrophobicContact CE1-CB 3.87Å; Y188-F212 AromaticContact CE1-CD1 3.9Å; Y188-F212 HydrophobicContact CE1-CD1 3.9Å; Y188-F212 AromaticContact CE1-CD2 3.22Å; Y188-F212 HydrophobicContact CE1-CD2 3.22Å; Y188-F212 HydrophobicContact CE1-CE1 4.28Å; Y188-F212 AromaticContact CE1-CE2 3.66Å; Y188-F212 HydrophobicContact CE1-CE2 3.66Å; Y188-F212 AromaticContact CE1-CG 3.39Å; Y188-F212 HydrophobicContact CE1-CG 3.39Å; Y188-F212 HydrophobicContact CE1-CZ 4.17Å; Y188-F212 AromaticContact CE2-CD2 3.8Å; Y188-F212 HydrophobicContact CE2-CD2 3.8Å; Y188-F212 HydrophobicContact CE2-CE2 4.01Å; Y188-F212 HydrophobicContact CG-CB 4.09Å; Y188-F212 HydrophobicContact CG-CD2 4.05Å; Y188-F212 HydrophobicContact CG-CG 4.34Å; Y188-F212 AromaticContact CZ-CD2 3.31Å; Y188-F212 AromaticContact CZ-CE2 3.37Å; Y188-F212 AromaticContact CZ-CG 3.99Å; Y188-F212 VanDerWaalsContact OH-CE2 3.25Å; Y188-F212 WeakPolarHBondContact OH-CE2 3.48Å; Y188-Y214 HydrophobicContact CD1-CE2 4.38Å
189	L	98.8	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.9	173.9	-179.8	59.6	0	0	0	110.2	L155 L178 L186 V191 F204 L207 L210 F212 L213 Y214	L155-L189 HydrophobicContact CB-CD1 4.21Å; L155-L189 HydrophobicContact CD2-CD1 4.01Å; L155-L189 HydrophobicContact CG-CD1 4.2Å; L178-L189 HydrophobicContact CD1-CD2 3.86Å; L178-L189 HydrophobicContact CD2-CD1 4.43Å; L186-L189 HydrophobicContact CD2-CB 4.12Å; L186-L189 HydrophobicContact CD2-CD1 4.29Å; L189-V191 HydrophobicContact CD1-CG1 3.84Å; L189-V191 HydrophobicContact CD2-CG1 4.48Å; L189-V191 HydrophobicContact CG-CG1 4.02Å; L189-V191 HydrophobicContact CG-CG2 4.49Å; L189-F204 HydrophobicContact CD2-CD1 4.26Å; L189-F204 HydrophobicContact CD2-CE1 3.97Å; L189-L207 HydrophobicContact CD2-CD1 4.02Å; L189-L210 HydrophobicContact CB-CD1 3.65Å; L189-F212 PolarHBondContact N-O 3.3Å; L189-L213 HydrophobicContact CB-CD1 4.17Å; L189-L213 HydrophobicContact CD2-CD1 3.97Å; L189-L213 HydrophobicContact CG-CD1 4.18Å; L189-Y214 PolarHBondContact O-N 3Å
190	H	98.8	Very high	97	Very high	26 Å²	26	36.5 Å²	36.5	12%	0.12	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.8	174.7	-70.6	-104.4	0	0	0	110.2	L155 Q156 L157 E192 Y214	L155-H190 PolarHBondContact O-N 3.17Å; Q156-H190 HydrophobicContact CB-CB 4.29Å; Q156-H190 HydrophobicContact CG-CB 4.14Å; L157-H190 CarbonylContact C-O 3.3Å; L157-H190 WeakPolarHBondContact CA-O 3.26Å; L157-H190 WeakPolarHBondContact CB-O 3.39Å; L157-H190 PolarHBondContact N-O 2.03Å; H190-E192 VanDerWaalsContact C-OE2 3.3Å; H190-E192 WeakPolarHBondContact CA-OE2 3.29Å; H190-E192 WeakPolarHBondContact CB-OE2 3.45Å; H190-E192 IonicContact CG-OE1 3.75Å; H190-E192 IonicContact CG-OE2 3.75Å; H190-E192 IonicContact ND1-OE1 3.54Å; H190-E192 PolarHBondContact ND1-OE1 3.34Å; H190-E192 VanDerWaalsContact ND1-OE1 3.07Å; H190-E192 IonicContact ND1-OE2 3.56Å; H190-Y214 AromaticContact CD2-CD2 3.79Å; H190-Y214 AromaticContact CE1-CD2 3.33Å; H190-Y214 WeakPolarHBondContact CE1-CD2 3.23Å; H190-Y214 AromaticContact CE1-CE2 3.44Å; H190-Y214 VanDerWaalsContact CE1-CE2 3.44Å; H190-Y214 WeakPolarHBondContact CE1-CE2 3.42Å; H190-Y214 AromaticContact CE1-CG 3.79Å; H190-Y214 AromaticContact CE1-CZ 3.99Å; H190-Y214 AromaticContact CG-CD2 3.77Å; H190-Y214 AromaticContact ND1-CD2 3.51Å; H190-Y214 AromaticContact ND1-CG 3.7Å; H190-Y214 AromaticContact NE2-CD2 3.52Å; H190-Y214 AromaticContact NE2-CE2 3.45Å; H190-Y214 WeakPolarHBondContact NE2-CE2 3.44Å
191	V	98.3	Very high	97.2	Very high	3 Å²	3	33 Å²	33	2%	0.018	19%	0.185	C	C	.	.			trans	-130.8	23.2	178.4	-71.8	0	0	0	0	111	L157 V174 L189 N194 L213 Y214 L215 N218	L157-V191 HydrophobicContact CB-CG1 4.31Å; V174-V191 HydrophobicContact CG1-CG1 4.46Å; L189-V191 HydrophobicContact CD1-CG1 3.84Å; L189-V191 HydrophobicContact CD2-CG1 4.48Å; L189-V191 HydrophobicContact CG-CG1 4.02Å; L189-V191 HydrophobicContact CG-CG2 4.49Å; V191-N194 PolarHBondContact O-ND2 3.12Å; V191-L213 HydrophobicContact CG2-CD1 4.42Å; V191-Y214 CarbonylContact C-O 3.58Å; V191-Y214 VanDerWaalsContact CG2-O 3.3Å; V191-Y214 WeakPolarHBondContact CG2-O 3.25Å; V191-Y214 PolarHBondContact N-O 3.07Å; V191-L215 HydrophobicContact CG2-CD2 3.42Å; V191-L215 VanDerWaalsContact CG2-CD2 3.42Å; V191-L215 HydrophobicContact CG2-CG 4.1Å; V191-N218 PolarHBondContact O-ND2 2.98Å
192	E	98.5	Very high	97.4	Very high	24 Å²	24	36.6 Å²	36.6	11%	0.112	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	148.5	178.8	67	-84	-160.2	0	0	113.1	N158 R159 H190 N194 Y214 N216	N158-E192 CarbonylContact C-O 3.51Å; N158-E192 WeakPolarHBondContact CA-O 3.29Å; N158-E192 HydrophobicContact CB-CG 3.55Å; N158-E192 VanDerWaalsContact CB-O 3.29Å; N158-E192 WeakPolarHBondContact CB-O 3.25Å; R159-E192 PolarHBondContact N-O 3.25Å; H190-E192 VanDerWaalsContact C-OE2 3.3Å; H190-E192 WeakPolarHBondContact CA-OE2 3.29Å; H190-E192 WeakPolarHBondContact CB-OE2 3.45Å; H190-E192 IonicContact CG-OE1 3.75Å; H190-E192 IonicContact CG-OE2 3.75Å; H190-E192 IonicContact ND1-OE1 3.54Å; H190-E192 PolarHBondContact ND1-OE1 3.34Å; H190-E192 VanDerWaalsContact ND1-OE1 3.07Å; H190-E192 IonicContact ND1-OE2 3.56Å; E192-N194 VanDerWaalsContact C-N 3.35Å; E192-N194 PolarHBondContact O-N 3.03Å; E192-Y214 PolarHBondContact N-O 3.13Å; E192-Y214 WeakPolarHBondContact OE2-CB 3.5Å; E192-N216 CarbonylContact C-O 3.56Å; E192-N216 WeakPolarHBondContact CA-O 3.19Å; E192-N216 HydrophobicContact CB-CB 4.45Å; E192-N216 WeakPolarHBondContact CB-ND2 3.29Å; E192-N216 WeakPolarHBondContact CB-O 3.31Å
193	G	98.4	Very high	97.7	Very high	22 Å²	22	34.9 Å²	34.9	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	19.3	175.5	0	0	0	0	0	115.4	N216 N217	G193-N216 PolarHBondContact N-O 2.75Å; G193-N217 WeakPolarHBondContact CA-O 3.31Å; G193-N217 PolarHBondContact N-O 2.94Å
194	N	98.3	Very high	97.8	Very high	3 Å²	3	35 Å²	35	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-100.6	4.6	-178.5	-72.6	-36.3	0	0	0	114.1	L157 R159 A160 F161 R170 V191 E192 L196 N218	L157-N194 PolarHBondContact O-ND2 3.2Å; L157-N194 PolarHBondContact O-OD1 2.94Å; R159-N194 WeakPolarHBondContact CA-OD1 3.29Å; R159-N194 PolarHBondContact N-OD1 3.13Å; A160-N194 PolarHBondContact N-OD1 3.17Å; F161-N194 HydrophobicContact CD2-CB 4.11Å; F161-N194 WeakPolarHBondContact CD2-OD1 3.46Å; F161-N194 HydrophobicContact CE2-CB 4.29Å; R170-N194 WeakPolarHBondContact CD-O 3.32Å; V191-N194 PolarHBondContact O-ND2 3.12Å; E192-N194 VanDerWaalsContact C-N 3.35Å; E192-N194 PolarHBondContact O-N 3.03Å; N194-L196 HydrophobicContact CB-CD1 4.47Å; N194-L196 HydrophobicContact CB-CD2 4.25Å; N194-L196 HydrophobicContact CB-CG 3.96Å; N194-L196 PolarHBondContact O-N 2.83Å; N194-N218 WeakPolarHBondContact CA-OD1 3.46Å; N194-N218 PolarHBondContact N-OD1 2.86Å; N194-N218 VanDerWaalsContact N-OD1 3.13Å
195	Q	97.4	Very high	97.8	Very high	94 Å²	94	34 Å²	34	44%	0.439	18%	0.184	S	C	.	.			trans	54.9	33.9	-179	-49.2	173.3	7.4	0	0	113.1	S167 N218	S167-Q195 VanDerWaalsContact CB-O 3.26Å; S167-Q195 WeakPolarHBondContact CB-O 3.37Å; S167-Q195 PolarHBondContact OG-O 2.97Å; Q195-N218 PolarHBondContact N-OD1 2.82Å
196	L	98.2	Very high	97.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.179	C	C	.	.			trans	-64.4	128.8	179.6	-60.8	177.5	0	0	0	109.8	R170 L171 N194 L199 N218 S219 L220	R170-L196 HydrophobicContact CB-CD2 4.23Å; L171-L196 HydrophobicContact CB-CD2 4.16Å; L171-L196 HydrophobicContact CD1-CD2 4.35Å; N194-L196 HydrophobicContact CB-CD1 4.47Å; N194-L196 HydrophobicContact CB-CD2 4.25Å; N194-L196 HydrophobicContact CB-CG 3.96Å; N194-L196 PolarHBondContact O-N 2.83Å; L196-L199 HydrophobicContact CB-CD2 4.49Å; L196-L199 HydrophobicContact CD1-CD2 3.9Å; L196-N218 HydrophobicContact CB-CB 4.29Å; L196-N218 WeakPolarHBondContact CG-OD1 3.21Å; L196-N218 PolarHBondContact N-OD1 3.3Å; L196-S219 CarbonylContact O-C 3.54Å; L196-S219 VanDerWaalsContact O-C 3.26Å; L196-S219 WeakPolarHBondContact O-CA 3.26Å; L196-S219 PolarHBondContact O-N 3.09Å; L196-L220 HydrophobicContact CB-CD2 4.39Å; L196-L220 PolarHBondContact O-N 2.83Å
197	P	97.8	Very high	97.7	Very high	38 Å²	38	32.7 Å²	32.7	25%	0.247	18%	0.179	C	C	.	.			trans	-82.2	-31.5	-174.1	30.7	-30	0	0	0	112.1	S167 L171	S167-P197 WeakPolarHBondContact O-CD 3.23Å; L171-P197 HydrophobicContact CD2-CG 4.19Å
198	Y	97.6	Very high	97.6	Very high	90 Å²	90	33.2 Å²	33.2	35%	0.353	19%	0.186	S	C	.	.			trans	-162.1	175.2	177	65.1	-89.7	0	0	0	110	L171 Y222	L171-Y198 WeakPolarHBondContact CD1-O 3.11Å; L171-Y198 HydrophobicContact CD2-CD1 3.92Å; L171-Y198 HydrophobicContact CD2-CD2 3.81Å; L171-Y198 HydrophobicContact CD2-CE1 3.63Å; L171-Y198 HydrophobicContact CD2-CE2 3.53Å; L171-Y198 HydrophobicContact CD2-CG 3.99Å; L171-Y198 VanDerWaalsContact CD2-CZ 3.42Å; L171-Y198 WeakPolarHBondContact CD2-O 3.49Å; Y198-Y222 WeakPolarHBondContact CB-OH 3.48Å; Y198-Y222 WeakPolarHBondContact CD2-OH 3.48Å; Y198-Y222 HydrophobicContact CG-CE1 4.24Å; Y198-Y222 AromaticContact CG-CZ 3.92Å
199	L	97.5	Very high	97.5	Very high	13 Å²	13	33.2 Å²	33.2	7%	0.068	19%	0.19	C	C	.	.			trans	-129	133	173.2	-54.3	171.4	0	0	0	109.5	L171 L196 M203 F204 L215 L220 F223	L171-L199 HydrophobicContact CD1-CD2 4.14Å; L196-L199 HydrophobicContact CB-CD2 4.49Å; L196-L199 HydrophobicContact CD1-CD2 3.9Å; L199-M203 HydrophobicContact CB-SD 4.2Å; L199-M203 HydrophobicContact CD2-CE 4.31Å; L199-M203 HydrophobicContact CD2-SD 3.73Å; L199-M203 HydrophobicContact CG-SD 4.43Å; L199-F204 HydrophobicContact CD1-CE2 4.14Å; L199-F204 HydrophobicContact CD1-CZ 3.83Å; L199-L215 HydrophobicContact CD1-CD1 3.51Å; L199-L215 HydrophobicContact CD1-CD2 3.51Å; L199-L215 HydrophobicContact CD1-CG 4.18Å; L199-L215 HydrophobicContact CD2-CD2 4.27Å; L199-L215 HydrophobicContact CG-CD2 4.47Å; L199-L220 HydrophobicContact CD1-CD1 4.2Å; L199-L220 HydrophobicContact CD1-CD2 4.49Å; L199-L220 HydrophobicContact CD2-CD2 4.44Å; L199-L220 HydrophobicContact CG-CD2 3.97Å; L199-F223 HydrophobicContact CD1-CD2 3.96Å; L199-F223 HydrophobicContact CD1-CE2 3.78Å
200	P	97	Very high	97.5	Very high	44 Å²	44	33.3 Å²	33.3	29%	0.286	19%	0.191	S	C	.	.			trans	-56.9	147.7	168.8	-22.6	32.8	0	0	0	111.9	T175 D202 M203	T175-P200 HydrophobicContact CG2-CG 4.27Å; P200-D202 VanDerWaalsContact C-N 3.29Å; P200-D202 PolarHBondContact O-N 3.28Å; P200-M203 HydrophobicContact CB-CB 4.37Å; P200-M203 HydrophobicContact CG-CE 4.32Å; P200-M203 WeakPolarHBondContact O-CB 3.29Å; P200-M203 PolarHBondContact O-N 3.14Å
201	A	96.9	Very high	97.5	Very high	44 Å²	44	33.4 Å²	33.4	36%	0.364	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.1	-175.9	0	0	0	0	0	112.7	P225 N226	A201-P225 WeakPolarHBondContact O-CA 3.1Å; A201-N226 PolarHBondContact O-N 2.96Å
202	D	96.3	Very high	97.5	Very high	92 Å²	92	34.7 Å²	34.7	49%	0.492	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	9.3	-173.5	-58.9	-46.6	0	0	0	114.1	P200 F204 C205 N226	P200-D202 VanDerWaalsContact C-N 3.29Å; P200-D202 PolarHBondContact O-N 3.28Å; D202-F204 PolarHBondContact O-N 2.84Å; D202-C205 WeakPolarHBondContact CA-SG 3.44Å; D202-C205 VanDerWaalsContact CB-SG 3.59Å; D202-C205 WeakPolarHBondContact O-CB 3.32Å; D202-C205 PolarHBondContact O-N 2.77Å; D202-C205 VanDerWaalsContact O-N 3.11Å; D202-C205 PolarHBondContact O-SG 2.67Å; D202-N226 VanDerWaalsContact OD1-CB 3.29Å; D202-N226 WeakPolarHBondContact OD1-CB 3.11Å; D202-N226 PolarHBondContact OD1-ND2 3.22Å
203	M	96.2	Very high	97.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30	-177	171.4	177.1	-91.3	0	0	113.9	L171 V174 T175 L178 L199 P200	L171-M203 HydrophobicContact CD1-CE 3.73Å; V174-M203 HydrophobicContact CG1-CE 4.23Å; T175-M203 HydrophobicContact CG2-CE 4.28Å; T175-M203 WeakPolarHBondContact OG1-CE 3.44Å; L178-M203 HydrophobicContact CD1-CG 4.19Å; L199-M203 HydrophobicContact CB-SD 4.2Å; L199-M203 HydrophobicContact CD2-CE 4.31Å; L199-M203 HydrophobicContact CD2-SD 3.73Å; L199-M203 HydrophobicContact CG-SD 4.43Å; P200-M203 HydrophobicContact CB-CB 4.37Å; P200-M203 HydrophobicContact CG-CE 4.32Å; P200-M203 WeakPolarHBondContact O-CB 3.29Å; P200-M203 PolarHBondContact O-N 3.14Å
204	F	96.9	Very high	97.6	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.6	-175.7	-53.3	-62.5	0	0	0	113.7	L189 L199 D202 P206 L207 L210 L213 L215 F223 P225 I230	L189-F204 HydrophobicContact CD2-CD1 4.26Å; L189-F204 HydrophobicContact CD2-CE1 3.97Å; L199-F204 HydrophobicContact CD1-CE2 4.14Å; L199-F204 HydrophobicContact CD1-CZ 3.83Å; D202-F204 PolarHBondContact O-N 2.84Å; F204-P206 VanDerWaalsContact C-N 3.34Å; F204-L207 HydrophobicContact CD1-CD1 4.29Å; F204-L207 WeakPolarHBondContact O-CA 3.2Å; F204-L207 WeakPolarHBondContact O-CB 3.45Å; F204-L207 PolarHBondContact O-N 2.85Å; F204-L210 HydrophobicContact CD1-CD2 4.1Å; F204-L210 HydrophobicContact CG-CD2 4.44Å; F204-L213 HydrophobicContact CD2-CD2 4.38Å; F204-L213 HydrophobicContact CE1-CD1 3.92Å; F204-L213 HydrophobicContact CE1-CD2 4.02Å; F204-L213 HydrophobicContact CE2-CD2 3.86Å; F204-L213 HydrophobicContact CZ-CD1 4.14Å; F204-L213 HydrophobicContact CZ-CD2 3.66Å; F204-L215 HydrophobicContact CZ-CD1 4.46Å; F204-F223 HydrophobicContact CE2-CE2 4.34Å; F204-P225 HydrophobicContact CD2-CB 4.21Å; F204-P225 HydrophobicContact CE2-CB 4.48Å; F204-I230 HydrophobicContact CB-CG2 3.96Å; F204-I230 HydrophobicContact CD2-CG2 3.93Å; F204-I230 HydrophobicContact CG-CG2 4.24Å
205	C	97	Very high	97.6	Very high	49 Å²	49	34.2 Å²	34.2	33%	0.331	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.1	-179.3	-57.7	0	0	0	0	115.2	D202 L207 C229	D202-C205 WeakPolarHBondContact CA-SG 3.44Å; D202-C205 VanDerWaalsContact CB-SG 3.59Å; D202-C205 WeakPolarHBondContact O-CB 3.32Å; D202-C205 PolarHBondContact O-N 2.77Å; D202-C205 VanDerWaalsContact O-N 3.11Å; D202-C205 PolarHBondContact O-SG 2.67Å; C205-L207 PolarHBondContact O-N 2.98Å; C205-C229 WeakPolarHBondContact CA-SG 3.02Å; C205-C229 HydrophobicContact CB-CB 3.84Å; C205-C229 WeakPolarHBondContact CB-SG 3.33Å; C205-C229 WeakPolarHBondContact SG-CB 3.41Å; C205-C229 CovalentContact SG-SG 2.03Å; C205-C229 PolarHBondContact SG-SG 3Å
206	P	96.3	Very high	97.6	Very high	34 Å²	34	30.9 Å²	30.9	22%	0.221	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.9	172.4	-13.8	25.5	0	0	0	114.5	F204 P208	F204-P206 VanDerWaalsContact C-N 3.34Å; P206-P208 WeakPolarHBondContact O-CD 3.19Å
207	L	97.4	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.			trans	-116.3	62.2	-172.1	-48.9	174.7	0	0	0	110.8	L178 M183 L186 L189 F204 C205 N209 L210	L178-L207 HydrophobicContact CD1-CD1 4.38Å; L178-L207 HydrophobicContact CD2-CD1 4.29Å; M183-L207 HydrophobicContact CB-CD2 4.03Å; M183-L207 HydrophobicContact CE-CD2 4.09Å; L186-L207 HydrophobicContact CB-CD2 4.22Å; L186-L207 HydrophobicContact CD2-CD1 3.97Å; L186-L207 HydrophobicContact CD2-CD2 3.91Å; L186-L207 HydrophobicContact CD2-CG 4.45Å; L189-L207 HydrophobicContact CD2-CD1 4.02Å; F204-L207 HydrophobicContact CD1-CD1 4.29Å; F204-L207 WeakPolarHBondContact O-CA 3.2Å; F204-L207 WeakPolarHBondContact O-CB 3.45Å; F204-L207 PolarHBondContact O-N 2.85Å; C205-L207 PolarHBondContact O-N 2.98Å; L207-N209 PolarHBondContact O-N 3.22Å; L207-N209 VanDerWaalsContact O-N 3.13Å; L207-L210 HydrophobicContact CB-CB 4.13Å; L207-L210 HydrophobicContact CD1-CD2 4.44Å; L207-L210 VanDerWaalsContact O-CB 3.29Å; L207-L210 WeakPolarHBondContact O-CB 3.48Å; L207-L210 PolarHBondContact O-N 3.43Å; L207-L210 VanDerWaalsContact O-N 3.12Å
208	P	96.3	Very high	97.7	Very high	49 Å²	49	33.3 Å²	33.3	32%	0.318	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.2	-169.6	26.3	-36.5	0	0	0	113.9	P206 N232	P206-P208 WeakPolarHBondContact O-CD 3.19Å; P208-N232 PolarHBondContact O-ND2 3.27Å
209	N	97.7	Very high	97.7	Very high	67 Å²	67	30 Å²	30	36%	0.358	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	11.1	-178.5	-67.9	-46	0	0	0	113.8	T184 L186 L207 Q211	T184-N209 WeakPolarHBondContact O-CB 3.35Å; T184-N209 PolarHBondContact O-ND2 3.13Å; L186-N209 CarbonylContact O-C 3.53Å; L207-N209 PolarHBondContact O-N 3.22Å; L207-N209 VanDerWaalsContact O-N 3.13Å; N209-Q211 WeakPolarHBondContact O-CG 3.07Å; N209-Q211 PolarHBondContact O-N 3.38Å
210	L	98.5	Very high	97.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	17%	0.17	C	C	.	.			trans	-63.4	123.1	-178.3	-172.2	68.5	0	0	0	111.4	L186 L189 F204 L207 L213 N232 L233	L186-L210 HydrophobicContact CD2-CD1 4.34Å; L186-L210 VanDerWaalsContact O-CA 3.25Å; L186-L210 WeakPolarHBondContact O-CA 3.3Å; L186-L210 PolarHBondContact O-N 2.98Å; L186-L210 VanDerWaalsContact O-N 3.13Å; L189-L210 HydrophobicContact CB-CD1 3.65Å; F204-L210 HydrophobicContact CD1-CD2 4.1Å; F204-L210 HydrophobicContact CG-CD2 4.44Å; L207-L210 HydrophobicContact CB-CB 4.13Å; L207-L210 HydrophobicContact CD1-CD2 4.44Å; L207-L210 VanDerWaalsContact O-CB 3.29Å; L207-L210 WeakPolarHBondContact O-CB 3.48Å; L207-L210 PolarHBondContact O-N 3.43Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L210-L213 HydrophobicContact CD2-CB 4.36Å; L210-L213 HydrophobicContact CD2-CD1 4.38Å; L210-L213 HydrophobicContact CD2-CD2 4.39Å; L210-N232 CarbonylContact O-C 3.41Å; L210-L233 HydrophobicContact CD2-CD1 4.43Å; L210-L233 HydrophobicContact CG-CD1 4.24Å; L210-L233 PolarHBondContact O-N 3.28Å
211	Q	98.8	Very high	97.8	Very high	29 Å²	29	30.6 Å²	30.6	14%	0.136	18%	0.179	C	C	.	.			trans	-115.3	-35.7	-176.6	-73.5	174.2	56.6	0	0	112.6	E187 N209 R234 Q235	E187-Q211 PolarHBondContact O-N 3.03Å; N209-Q211 WeakPolarHBondContact O-CG 3.07Å; N209-Q211 PolarHBondContact O-N 3.38Å; Q211-R234 HydrophobicContact CB-CG 4.35Å; Q211-R234 HydrophobicContact CG-CG 4.41Å; Q211-R234 PolarHBondContact O-N 2.9Å; Q211-R234 VanDerWaalsContact OE1-NE 3.17Å; Q211-Q235 PolarHBondContact O-N 3.02Å
212	F	98.9	Very high	97.8	Very high	30 Å²	30	33.7 Å²	33.7	13%	0.132	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113	-174.8	-57.3	-95.8	0	0	0	109.6	E187 Y188 L189 Y214 Q235	E187-F212 PolarHBondContact O-N 2.93Å; Y188-F212 WeakPolarHBondContact CA-O 3.13Å; Y188-F212 HydrophobicContact CD1-CB 3.5Å; Y188-F212 VanDerWaalsContact CD1-CB 3.5Å; Y188-F212 HydrophobicContact CD1-CD1 4.39Å; Y188-F212 AromaticContact CD1-CD2 3.62Å; Y188-F212 HydrophobicContact CD1-CD2 3.62Å; Y188-F212 HydrophobicContact CD1-CE2 4.47Å; Y188-F212 AromaticContact CD1-CG 3.59Å; Y188-F212 HydrophobicContact CD1-CG 3.59Å; Y188-F212 HydrophobicContact CD2-CD2 4.15Å; Y188-F212 HydrophobicContact CE1-CB 3.87Å; Y188-F212 AromaticContact CE1-CD1 3.9Å; Y188-F212 HydrophobicContact CE1-CD1 3.9Å; Y188-F212 AromaticContact CE1-CD2 3.22Å; Y188-F212 HydrophobicContact CE1-CD2 3.22Å; Y188-F212 HydrophobicContact CE1-CE1 4.28Å; Y188-F212 AromaticContact CE1-CE2 3.66Å; Y188-F212 HydrophobicContact CE1-CE2 3.66Å; Y188-F212 AromaticContact CE1-CG 3.39Å; Y188-F212 HydrophobicContact CE1-CG 3.39Å; Y188-F212 HydrophobicContact CE1-CZ 4.17Å; Y188-F212 AromaticContact CE2-CD2 3.8Å; Y188-F212 HydrophobicContact CE2-CD2 3.8Å; Y188-F212 HydrophobicContact CE2-CE2 4.01Å; Y188-F212 HydrophobicContact CG-CB 4.09Å; Y188-F212 HydrophobicContact CG-CD2 4.05Å; Y188-F212 HydrophobicContact CG-CG 4.34Å; Y188-F212 AromaticContact CZ-CD2 3.31Å; Y188-F212 AromaticContact CZ-CE2 3.37Å; Y188-F212 AromaticContact CZ-CG 3.99Å; Y188-F212 VanDerWaalsContact OH-CE2 3.25Å; Y188-F212 WeakPolarHBondContact OH-CE2 3.48Å; L189-F212 PolarHBondContact N-O 3.3Å; F212-Y214 HydrophobicContact CB-CE2 3.74Å; F212-Q235 HydrophobicContact CD1-CB 3.61Å; F212-Q235 HydrophobicContact CD1-CG 4.44Å; F212-Q235 HydrophobicContact CE1-CB 4.11Å; F212-Q235 HydrophobicContact CG-CB 4.49Å
213	L	98.8	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.9	-177.9	178.5	56.1	0	0	0	110.6	L189 V191 F204 L210 L215 F223 L233 Q235 L236 N237	L189-L213 HydrophobicContact CB-CD1 4.17Å; L189-L213 HydrophobicContact CD2-CD1 3.97Å; L189-L213 HydrophobicContact CG-CD1 4.18Å; V191-L213 HydrophobicContact CG2-CD1 4.42Å; F204-L213 HydrophobicContact CD2-CD2 4.38Å; F204-L213 HydrophobicContact CE1-CD1 3.92Å; F204-L213 HydrophobicContact CE1-CD2 4.02Å; F204-L213 HydrophobicContact CE2-CD2 3.86Å; F204-L213 HydrophobicContact CZ-CD1 4.14Å; F204-L213 HydrophobicContact CZ-CD2 3.66Å; L210-L213 HydrophobicContact CD2-CB 4.36Å; L210-L213 HydrophobicContact CD2-CD1 4.38Å; L210-L213 HydrophobicContact CD2-CD2 4.39Å; L213-L215 HydrophobicContact CD1-CD1 4.16Å; L213-L215 HydrophobicContact CD1-CG 4Å; L213-L215 HydrophobicContact CD2-CD1 3.72Å; L213-L215 HydrophobicContact CD2-CG 4.46Å; L213-L215 HydrophobicContact CG-CD1 3.74Å; L213-L215 HydrophobicContact CG-CG 3.98Å; L213-F223 HydrophobicContact CD2-CZ 4.42Å; L213-L233 HydrophobicContact CB-CD1 3.67Å; L213-Q235 PolarHBondContact N-O 3.41Å; L213-L236 HydrophobicContact CB-CD1 4.19Å; L213-L236 HydrophobicContact CD2-CD1 4.01Å; L213-L236 HydrophobicContact CG-CD1 4.07Å; L213-N237 PolarHBondContact O-N 3.35Å
214	Y	98.8	Very high	97.9	Very high	39 Å²	39	33.6 Å²	33.6	15%	0.153	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.7	179.7	-56.9	-91.6	0	0	0	110.1	Y188 L189 H190 V191 E192 F212 N237	Y188-Y214 HydrophobicContact CD1-CE2 4.38Å; L189-Y214 PolarHBondContact O-N 3Å; H190-Y214 AromaticContact CD2-CD2 3.79Å; H190-Y214 AromaticContact CE1-CD2 3.33Å; H190-Y214 WeakPolarHBondContact CE1-CD2 3.23Å; H190-Y214 AromaticContact CE1-CE2 3.44Å; H190-Y214 VanDerWaalsContact CE1-CE2 3.44Å; H190-Y214 WeakPolarHBondContact CE1-CE2 3.42Å; H190-Y214 AromaticContact CE1-CG 3.79Å; H190-Y214 AromaticContact CE1-CZ 3.99Å; H190-Y214 AromaticContact CG-CD2 3.77Å; H190-Y214 AromaticContact ND1-CD2 3.51Å; H190-Y214 AromaticContact ND1-CG 3.7Å; H190-Y214 AromaticContact NE2-CD2 3.52Å; H190-Y214 AromaticContact NE2-CE2 3.45Å; H190-Y214 WeakPolarHBondContact NE2-CE2 3.44Å; V191-Y214 CarbonylContact C-O 3.58Å; V191-Y214 VanDerWaalsContact CG2-O 3.3Å; V191-Y214 WeakPolarHBondContact CG2-O 3.25Å; V191-Y214 PolarHBondContact N-O 3.07Å; E192-Y214 PolarHBondContact N-O 3.13Å; E192-Y214 WeakPolarHBondContact OE2-CB 3.5Å; F212-Y214 HydrophobicContact CB-CE2 3.74Å; Y214-N237 HydrophobicContact CD1-CB 4.01Å
215	L	98.8	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.			trans	-117.9	12.9	-178.8	-77.3	164.2	0	0	0	111.7	V191 L199 F204 L213 N218 L220 F223 L236 N237 L238 N241	V191-L215 HydrophobicContact CG2-CD2 3.42Å; V191-L215 VanDerWaalsContact CG2-CD2 3.42Å; V191-L215 HydrophobicContact CG2-CG 4.1Å; L199-L215 HydrophobicContact CD1-CD1 3.51Å; L199-L215 HydrophobicContact CD1-CD2 3.51Å; L199-L215 HydrophobicContact CD1-CG 4.18Å; L199-L215 HydrophobicContact CD2-CD2 4.27Å; L199-L215 HydrophobicContact CG-CD2 4.47Å; F204-L215 HydrophobicContact CZ-CD1 4.46Å; L213-L215 HydrophobicContact CD1-CD1 4.16Å; L213-L215 HydrophobicContact CD1-CG 4Å; L213-L215 HydrophobicContact CD2-CD1 3.72Å; L213-L215 HydrophobicContact CD2-CG 4.46Å; L213-L215 HydrophobicContact CG-CD1 3.74Å; L213-L215 HydrophobicContact CG-CG 3.98Å; L215-N218 PolarHBondContact O-ND2 2.84Å; L215-L220 HydrophobicContact CB-CD1 4.18Å; L215-L220 HydrophobicContact CD1-CD1 4.44Å; L215-L220 HydrophobicContact CD2-CD1 4.34Å; L215-F223 HydrophobicContact CD1-CD2 4.18Å; L215-F223 HydrophobicContact CD1-CE2 3.5Å; L215-F223 VanDerWaalsContact CD1-CE2 3.5Å; L215-F223 HydrophobicContact CD1-CZ 4.2Å; L215-L236 HydrophobicContact CD1-CD1 4.22Å; L215-N237 CarbonylContact C-O 3.53Å; L215-N237 WeakPolarHBondContact CA-O 3.4Å; L215-N237 WeakPolarHBondContact CB-O 3.49Å; L215-N237 PolarHBondContact N-O 3.41Å; L215-L238 HydrophobicContact CB-CD2 3.95Å; L215-L238 HydrophobicContact CD1-CD2 3.97Å; L215-N241 PolarHBondContact O-ND2 2.98Å
216	N	98.7	Very high	97.8	Very high	23 Å²	23	34.1 Å²	34.1	12%	0.123	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	160.1	-176.7	51.8	-77.4	0	0	0	112.6	E192 G193 N218 N237 S239	E192-N216 CarbonylContact C-O 3.56Å; E192-N216 WeakPolarHBondContact CA-O 3.19Å; E192-N216 HydrophobicContact CB-CB 4.45Å; E192-N216 WeakPolarHBondContact CB-ND2 3.29Å; E192-N216 WeakPolarHBondContact CB-O 3.31Å; G193-N216 PolarHBondContact N-O 2.75Å; N216-N218 PolarHBondContact O-N 2.93Å; N216-N218 PolarHBondContact O-ND2 2.91Å; N216-N237 PolarHBondContact N-O 3.17Å; N216-N237 PolarHBondContact OD1-ND2 3.33Å; N216-S239 CarbonylContact C-O 3.54Å; N216-S239 WeakPolarHBondContact CA-O 3.18Å; N216-S239 WeakPolarHBondContact CB-O 3.4Å
217	N	98.7	Very high	97.8	Very high	83 Å²	83	35.9 Å²	35.9	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	36	178.1	-58.3	-21.7	0	0	0	113.7	G193 S239 G240	G193-N217 WeakPolarHBondContact CA-O 3.31Å; G193-N217 PolarHBondContact N-O 2.94Å; N217-S239 PolarHBondContact N-O 3Å; N217-G240 WeakPolarHBondContact CA-O 3.16Å; N217-G240 PolarHBondContact N-O 3.07Å
218	N	98.8	Very high	97.7	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.043	22%	0.22	C	C	.	.	S	Bend	trans	-104.5	-165.8	170.6	-81.4	-65	0	0	0	110	V191 N194 Q195 L196 L215 N216 L220 N241	V191-N218 PolarHBondContact O-ND2 2.98Å; N194-N218 WeakPolarHBondContact CA-OD1 3.46Å; N194-N218 PolarHBondContact N-OD1 2.86Å; N194-N218 VanDerWaalsContact N-OD1 3.13Å; Q195-N218 PolarHBondContact N-OD1 2.82Å; L196-N218 HydrophobicContact CB-CB 4.29Å; L196-N218 WeakPolarHBondContact CG-OD1 3.21Å; L196-N218 PolarHBondContact N-OD1 3.3Å; L215-N218 PolarHBondContact O-ND2 2.84Å; N216-N218 PolarHBondContact O-N 2.93Å; N216-N218 PolarHBondContact O-ND2 2.91Å; N218-L220 HydrophobicContact CB-CG 4.1Å; N218-N241 VanDerWaalsContact CA-OD1 3.31Å; N218-N241 WeakPolarHBondContact CA-OD1 3.47Å; N218-N241 WeakPolarHBondContact CB-OD1 3.3Å; N218-N241 PolarHBondContact N-OD1 2.93Å; N218-N241 PolarHBondContact O-OD1 2.91Å
219	S	98.2	Very high	97.7	Very high	20 Å²	20	37.6 Å²	37.6	14%	0.14	21%	0.21	C	C	.	.			trans	-115.2	28.3	177.8	-70.2	0	0	0	0	112.2	L196 S221 N241 R242	L196-S219 CarbonylContact O-C 3.54Å; L196-S219 VanDerWaalsContact O-C 3.26Å; L196-S219 WeakPolarHBondContact O-CA 3.26Å; L196-S219 PolarHBondContact O-N 3.09Å; S219-S221 PolarHBondContact O-N 3.27Å; S219-N241 PolarHBondContact N-OD1 3Å; S219-R242 PolarHBondContact OG-NE 3.01Å; S219-R242 PolarHBondContact OG-NH2 3.18Å
220	L	98.6	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.			trans	-68.7	127.3	-177.2	-54.5	175.4	0	0	0	110.6	L196 L199 L215 N218 L238 N241 R242 F243	L196-L220 HydrophobicContact CB-CD2 4.39Å; L196-L220 PolarHBondContact O-N 2.83Å; L199-L220 HydrophobicContact CD1-CD1 4.2Å; L199-L220 HydrophobicContact CD1-CD2 4.49Å; L199-L220 HydrophobicContact CD2-CD2 4.44Å; L199-L220 HydrophobicContact CG-CD2 3.97Å; L215-L220 HydrophobicContact CB-CD1 4.18Å; L215-L220 HydrophobicContact CD1-CD1 4.44Å; L215-L220 HydrophobicContact CD2-CD1 4.34Å; N218-L220 HydrophobicContact CB-CG 4.1Å; L220-L238 HydrophobicContact CD1-CD2 4.08Å; L220-N241 HydrophobicContact CB-CB 4.24Å; L220-N241 VanDerWaalsContact CB-OD1 3.29Å; L220-N241 WeakPolarHBondContact CB-OD1 3.48Å; L220-N241 VanDerWaalsContact CG-OD1 3.31Å; L220-N241 WeakPolarHBondContact CG-OD1 2.98Å; L220-N241 PolarHBondContact N-OD1 2.76Å; L220-R242 CarbonylContact O-C 3.36Å; L220-R242 WeakPolarHBondContact O-CA 3.45Å; L220-R242 PolarHBondContact O-N 3.1Å; L220-F243 HydrophobicContact CB-CE1 4.49Å; L220-F243 HydrophobicContact CB-CE2 4.11Å; L220-F243 HydrophobicContact CB-CZ 3.75Å; L220-F243 PolarHBondContact O-N 3.22Å
221	S	97.6	Very high	97.5	Very high	69 Å²	69	38.1 Å²	38.1	48%	0.483	21%	0.21	S	C	.	.	S	Bend	trans	-109	-9.6	171.6	61.8	0	0	0	0	113.1	S219	S219-S221 PolarHBondContact O-N 3.27Å
222	Y	96.2	Very high	97.5	Very high	109 Å²	109	38.7 Å²	38.7	43%	0.427	21%	0.214	S	C	.	.			trans	-146.5	154.2	174.6	72.3	-90	0	0	0	109.8	Y198	Y198-Y222 WeakPolarHBondContact CB-OH 3.48Å; Y198-Y222 WeakPolarHBondContact CD2-OH 3.48Å; Y198-Y222 HydrophobicContact CG-CE1 4.24Å; Y198-Y222 AromaticContact CG-CZ 3.92Å
223	F	97.3	Very high	97.5	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.031	21%	0.208	C	C	.	.			trans	-151.1	105.9	177.8	-179	-97.2	0	0	0	109.1	L199 F204 L213 L215 P225 L236 L238 F243 F250	L199-F223 HydrophobicContact CD1-CD2 3.96Å; L199-F223 HydrophobicContact CD1-CE2 3.78Å; F204-F223 HydrophobicContact CE2-CE2 4.34Å; L213-F223 HydrophobicContact CD2-CZ 4.42Å; L215-F223 HydrophobicContact CD1-CD2 4.18Å; L215-F223 HydrophobicContact CD1-CE2 3.5Å; L215-F223 VanDerWaalsContact CD1-CE2 3.5Å; L215-F223 HydrophobicContact CD1-CZ 4.2Å; F223-P225 VanDerWaalsContact CD1-CD 3.5Å; F223-P225 HydrophobicContact CD1-CG 4.17Å; F223-P225 HydrophobicContact CE1-CG 3.5Å; F223-P225 VanDerWaalsContact CE1-CG 3.5Å; F223-P225 HydrophobicContact CE2-CG 4.25Å; F223-P225 HydrophobicContact CZ-CB 4.43Å; F223-P225 HydrophobicContact CZ-CG 3.56Å; F223-L236 HydrophobicContact CD1-CD2 4.31Å; F223-L236 HydrophobicContact CE1-CD1 4.42Å; F223-L236 HydrophobicContact CE1-CD2 3.55Å; F223-L236 HydrophobicContact CZ-CD1 4.05Å; F223-L236 HydrophobicContact CZ-CD2 4.01Å; F223-L238 HydrophobicContact CB-CD1 4.33Å; F223-L238 HydrophobicContact CD1-CD1 4Å; F223-L238 HydrophobicContact CD2-CD2 4.02Å; F223-L238 HydrophobicContact CE1-CD1 4.49Å; F223-L238 HydrophobicContact CE2-CD2 4.34Å; F223-L238 HydrophobicContact CG-CD1 4.12Å; F223-L238 HydrophobicContact CG-CD2 4.16Å; F223-F243 HydrophobicContact CB-CE1 3.99Å; F223-F243 HydrophobicContact CB-CZ 3.83Å; F223-F250 HydrophobicContact CD1-CD2 4.38Å; F223-F250 AromaticContact CD1-CE2 3.98Å; F223-F250 HydrophobicContact CD1-CE2 3.98Å; F223-F250 WeakPolarHBondContact O-CD2 3.05Å
224	L	96.8	Very high	97.5	Very high	85 Å²	85	42.4 Å²	42.4	45%	0.445	23%	0.227	S	C	.	.			trans	-141.1	69.9	179.4	-69.7	174.2	0	0	0	109.6	P249 F250	L224-P249 HydrophobicContact CD1-CB 4.19Å; L224-P249 HydrophobicContact CD2-CB 3.86Å; L224-F250 HydrophobicContact CD2-CB 4.32Å
225	P	96.8	Very high	97.5	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.058	23%	0.228	C	C	.	.			trans	-67.4	161.6	171.9	32.1	-39	0	0	0	111.5	A201 F204 F223 P227 I230 L253	A201-P225 WeakPolarHBondContact O-CA 3.1Å; F204-P225 HydrophobicContact CD2-CB 4.21Å; F204-P225 HydrophobicContact CE2-CB 4.48Å; F223-P225 VanDerWaalsContact CD1-CD 3.5Å; F223-P225 HydrophobicContact CD1-CG 4.17Å; F223-P225 HydrophobicContact CE1-CG 3.5Å; F223-P225 VanDerWaalsContact CE1-CG 3.5Å; F223-P225 HydrophobicContact CE2-CG 4.25Å; F223-P225 HydrophobicContact CZ-CB 4.43Å; F223-P225 HydrophobicContact CZ-CG 3.56Å; P225-P227 WeakPolarHBondContact O-CD 3.1Å; P225-I230 HydrophobicContact CB-CD1 4.35Å; P225-I230 HydrophobicContact CB-CG2 4.36Å; P225-I230 HydrophobicContact CG-CD1 3.52Å; P225-I230 HydrophobicContact CG-CG1 4.23Å; P225-L253 HydrophobicContact CG-CD2 3.92Å
226	N	96.7	Very high	97.5	Very high	53 Å²	53	42.3 Å²	42.3	28%	0.283	23%	0.228	S	C	.	.			trans	-63.9	120.1	171.1	-176.1	-20.2	0	0	0	110	A201 D202 A228 C229	A201-N226 PolarHBondContact O-N 2.96Å; D202-N226 VanDerWaalsContact OD1-CB 3.29Å; D202-N226 WeakPolarHBondContact OD1-CB 3.11Å; D202-N226 PolarHBondContact OD1-ND2 3.22Å; N226-A228 PolarHBondContact O-N 3.26Å; N226-A228 WeakPolarHBondContact OD1-CB 3.47Å; N226-A228 PolarHBondContact OD1-N 3.41Å; N226-A228 VanDerWaalsContact OD1-N 3.09Å; N226-C229 HydrophobicContact CB-CB 4.25Å; N226-C229 PolarHBondContact O-N 3.12Å
227	P	95.3	Very high	97.5	Very high	72 Å²	72	42.3 Å²	42.3	47%	0.468	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-60	-31.7	-176.7	22	-33	0	0	0	113.4	P225 C229 I230 H231 L253	P225-P227 WeakPolarHBondContact O-CD 3.1Å; P227-C229 PolarHBondContact O-N 3.44Å; P227-I230 PolarHBondContact O-N 3.25Å; P227-H231 PolarHBondContact O-N 3.38Å; P227-L253 HydrophobicContact CB-CD1 3.69Å; P227-L253 HydrophobicContact CG-CD1 4.43Å
228	A	95.9	Very high	97.5	Very high	68 Å²	68	38.4 Å²	38.4	56%	0.562	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-64.5	-27.9	178.1	0	0	0	0	0	111.9	N226 H231	N226-A228 PolarHBondContact O-N 3.26Å; N226-A228 WeakPolarHBondContact OD1-CB 3.47Å; N226-A228 PolarHBondContact OD1-N 3.41Å; N226-A228 VanDerWaalsContact OD1-N 3.09Å; A228-H231 PolarHBondContact O-ND1 3.37Å
229	C	96	Very high	97.5	Very high	17 Å²	17	38.6 Å²	38.6	12%	0.115	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-90.5	-7.3	-174.3	-59	0	0	0	0	113.9	C205 N226 P227	C205-C229 WeakPolarHBondContact CA-SG 3.02Å; C205-C229 HydrophobicContact CB-CB 3.84Å; C205-C229 WeakPolarHBondContact CB-SG 3.33Å; C205-C229 WeakPolarHBondContact SG-CB 3.41Å; C205-C229 CovalentContact SG-SG 2.03Å; C205-C229 PolarHBondContact SG-SG 3Å; N226-C229 HydrophobicContact CB-CB 4.25Å; N226-C229 PolarHBondContact O-N 3.12Å; P227-C229 PolarHBondContact O-N 3.44Å
230	I	96.6	Very high	97.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-129.1	22.4	179.3	59.6	153.2	0	0	0	112.5	F204 P225 P227 N232 L233 L253 L257	F204-I230 HydrophobicContact CB-CG2 3.96Å; F204-I230 HydrophobicContact CD2-CG2 3.93Å; F204-I230 HydrophobicContact CG-CG2 4.24Å; P225-I230 HydrophobicContact CB-CD1 4.35Å; P225-I230 HydrophobicContact CB-CG2 4.36Å; P225-I230 HydrophobicContact CG-CD1 3.52Å; P225-I230 HydrophobicContact CG-CG1 4.23Å; P227-I230 PolarHBondContact O-N 3.25Å; I230-N232 VanDerWaalsContact C-N 3.26Å; I230-N232 PolarHBondContact O-N 3.41Å; I230-L233 HydrophobicContact CB-CB 4.45Å; I230-L233 WeakPolarHBondContact O-CB 2.99Å; I230-L233 PolarHBondContact O-N 3.41Å; I230-L233 VanDerWaalsContact O-N 3.12Å; I230-L253 HydrophobicContact CD1-CD1 4.37Å; I230-L257 HydrophobicContact CD1-CD1 3.83Å; I230-L257 HydrophobicContact CD1-CD2 3.89Å; I230-L257 HydrophobicContact CD1-CG 4.46Å; I230-L257 HydrophobicContact CG1-CD2 3.95Å
231	H	96.1	Very high	97.5	Very high	77 Å²	77	38.8 Å²	38.8	36%	0.356	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.1	-173.4	67	-84.6	0	0	0	114.2	P227 A228 L233 N259	P227-H231 PolarHBondContact O-N 3.38Å; A228-H231 PolarHBondContact O-ND1 3.37Å; H231-L233 VanDerWaalsContact C-N 3.34Å; H231-N259 PolarHBondContact O-ND2 3.17Å
232	N	97.7	Very high	97.5	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.219	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.3	177.3	-73.6	-36.1	0	0	0	114.1	P208 L210 I230 R234	P208-N232 PolarHBondContact O-ND2 3.27Å; L210-N232 CarbonylContact O-C 3.41Å; I230-N232 VanDerWaalsContact C-N 3.26Å; I230-N232 PolarHBondContact O-N 3.41Å; N232-R234 PolarHBondContact O-N 3.35Å
233	L	98.4	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.			trans	-64.7	123.6	-174.7	-156.7	75.5	0	0	0	111.3	L210 L213 I230 H231 L236 N259 L260	L210-L233 HydrophobicContact CD2-CD1 4.43Å; L210-L233 HydrophobicContact CG-CD1 4.24Å; L210-L233 PolarHBondContact O-N 3.28Å; L213-L233 HydrophobicContact CB-CD1 3.67Å; I230-L233 HydrophobicContact CB-CB 4.45Å; I230-L233 WeakPolarHBondContact O-CB 2.99Å; I230-L233 PolarHBondContact O-N 3.41Å; I230-L233 VanDerWaalsContact O-N 3.12Å; H231-L233 VanDerWaalsContact C-N 3.34Å; L233-L236 HydrophobicContact CD2-CB 3.76Å; L233-L236 HydrophobicContact CD2-CD1 4.24Å; L233-L236 HydrophobicContact CD2-CD2 4.21Å; L233-L236 HydrophobicContact CD2-CG 4.28Å; L233-N259 CarbonylContact O-C 3.47Å; L233-N259 VanDerWaalsContact O-C 3.3Å; L233-L260 HydrophobicContact CB-CD1 4.49Å; L233-L260 HydrophobicContact CD2-CD1 4.16Å; L233-L260 HydrophobicContact CG-CD1 4.28Å; L233-L260 VanDerWaalsContact O-CA 3.27Å; L233-L260 WeakPolarHBondContact O-CA 3.37Å; L233-L260 PolarHBondContact O-N 3.32Å
234	R	98.6	Very high	97.7	Very high	108 Å²	108	39.1 Å²	39.1	41%	0.408	21%	0.211	S	C	.	.			trans	-99.6	-37.7	176.9	-64.5	-177.4	179.4	175.9	1.7	111.9	Q211 N232 N259 Q261 A262	Q211-R234 HydrophobicContact CB-CG 4.35Å; Q211-R234 HydrophobicContact CG-CG 4.41Å; Q211-R234 PolarHBondContact O-N 2.9Å; Q211-R234 VanDerWaalsContact OE1-NE 3.17Å; N232-R234 PolarHBondContact O-N 3.35Å; R234-N259 WeakPolarHBondContact CA-O 3.44Å; R234-N259 HydrophobicContact CG-CB 4.36Å; R234-Q261 PolarHBondContact O-N 3.03Å; R234-A262 PolarHBondContact O-N 3.43Å; R234-A262 VanDerWaalsContact O-N 3.1Å
235	Q	98.8	Very high	97.6	Very high	38 Å²	38	42.1 Å²	42.1	18%	0.178	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.2	-179.3	-177.2	167.7	-31.3	0	0	111.4	Q211 F212 L213 A262 Y264	Q211-Q235 PolarHBondContact O-N 3.02Å; F212-Q235 HydrophobicContact CD1-CB 3.61Å; F212-Q235 HydrophobicContact CD1-CG 4.44Å; F212-Q235 HydrophobicContact CE1-CB 4.11Å; F212-Q235 HydrophobicContact CG-CB 4.49Å; L213-Q235 PolarHBondContact N-O 3.41Å; Q235-A262 VanDerWaalsContact CA-O 3.29Å; Q235-A262 WeakPolarHBondContact CA-O 3.33Å; Q235-A262 HydrophobicContact CB-CB 4.45Å; Q235-A262 HydrophobicContact CG-CB 4.1Å; Q235-Y264 HydrophobicContact CG-CD2 4.29Å; Q235-Y264 HydrophobicContact CG-CE2 3.87Å
236	L	98.7	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.5	176.6	177.7	53.8	0	0	0	109.4	L213 L215 F223 L233 L238 L260 A262 L263 Y264	L213-L236 HydrophobicContact CB-CD1 4.19Å; L213-L236 HydrophobicContact CD2-CD1 4.01Å; L213-L236 HydrophobicContact CG-CD1 4.07Å; L215-L236 HydrophobicContact CD1-CD1 4.22Å; F223-L236 HydrophobicContact CD1-CD2 4.31Å; F223-L236 HydrophobicContact CE1-CD1 4.42Å; F223-L236 HydrophobicContact CE1-CD2 3.55Å; F223-L236 HydrophobicContact CZ-CD1 4.05Å; F223-L236 HydrophobicContact CZ-CD2 4.01Å; L233-L236 HydrophobicContact CD2-CB 3.76Å; L233-L236 HydrophobicContact CD2-CD1 4.24Å; L233-L236 HydrophobicContact CD2-CD2 4.21Å; L233-L236 HydrophobicContact CD2-CG 4.28Å; L236-L238 HydrophobicContact CD1-CD2 4.24Å; L236-L238 HydrophobicContact CD1-CG 4.07Å; L236-L238 HydrophobicContact CD2-CD1 3.98Å; L236-L238 HydrophobicContact CD2-CG 4.29Å; L236-L238 HydrophobicContact CG-CD1 4.2Å; L236-L238 HydrophobicContact CG-CG 3.97Å; L236-L260 HydrophobicContact CB-CD1 4.06Å; L236-A262 PolarHBondContact N-O 3.48Å; L236-L263 HydrophobicContact CB-CD1 3.97Å; L236-L263 HydrophobicContact CD2-CD1 3.9Å; L236-L263 HydrophobicContact CG-CD1 3.84Å; L236-L263 WeakPolarHBondContact O-CA 3.34Å; L236-Y264 PolarHBondContact O-N 3.1Å
237	N	98.8	Very high	97.4	Very high	23 Å²	23	41.4 Å²	41.4	12%	0.123	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.4	174.9	-165.9	-8.7	0	0	0	111.5	L213 Y214 L215 N216 S239 Y264	L213-N237 PolarHBondContact O-N 3.35Å; Y214-N237 HydrophobicContact CD1-CB 4.01Å; L215-N237 CarbonylContact C-O 3.53Å; L215-N237 WeakPolarHBondContact CA-O 3.4Å; L215-N237 WeakPolarHBondContact CB-O 3.49Å; L215-N237 PolarHBondContact N-O 3.41Å; N216-N237 PolarHBondContact N-O 3.17Å; N216-N237 PolarHBondContact OD1-ND2 3.33Å; N237-S239 VanDerWaalsContact OD1-CB 3.22Å; N237-S239 WeakPolarHBondContact OD1-CB 3.49Å; N237-S239 PolarHBondContact OD1-N 3.19Å; N237-S239 PolarHBondContact OD1-OG 2.97Å; N237-Y264 HydrophobicContact CB-CD2 4.37Å; N237-Y264 WeakPolarHBondContact OD1-CB 3.47Å
238	L	98.8	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.			trans	-111.6	15	177.1	-70.4	175.7	0	0	0	112.1	L215 L220 F223 L236 N241 F243 F250 L263 Y264 L265 N268	L215-L238 HydrophobicContact CB-CD2 3.95Å; L215-L238 HydrophobicContact CD1-CD2 3.97Å; L220-L238 HydrophobicContact CD1-CD2 4.08Å; F223-L238 HydrophobicContact CB-CD1 4.33Å; F223-L238 HydrophobicContact CD1-CD1 4Å; F223-L238 HydrophobicContact CD2-CD2 4.02Å; F223-L238 HydrophobicContact CE1-CD1 4.49Å; F223-L238 HydrophobicContact CE2-CD2 4.34Å; F223-L238 HydrophobicContact CG-CD1 4.12Å; F223-L238 HydrophobicContact CG-CD2 4.16Å; L236-L238 HydrophobicContact CD1-CD2 4.24Å; L236-L238 HydrophobicContact CD1-CG 4.07Å; L236-L238 HydrophobicContact CD2-CD1 3.98Å; L236-L238 HydrophobicContact CD2-CG 4.29Å; L236-L238 HydrophobicContact CG-CD1 4.2Å; L236-L238 HydrophobicContact CG-CG 3.97Å; L238-N241 PolarHBondContact O-ND2 2.89Å; L238-F243 HydrophobicContact CB-CE2 3.88Å; L238-F243 HydrophobicContact CD1-CE2 4.27Å; L238-F243 HydrophobicContact CD1-CZ 4.27Å; L238-F243 HydrophobicContact CD2-CE2 4.12Å; L238-F243 HydrophobicContact CD2-CZ 4.19Å; L238-F243 HydrophobicContact CG-CE2 4.32Å; L238-F250 HydrophobicContact CD1-CE2 3.94Å; L238-F250 HydrophobicContact CD1-CZ 4.2Å; L238-L263 HydrophobicContact CD1-CD1 4.3Å; L238-Y264 CarbonylContact C-O 3.53Å; L238-Y264 WeakPolarHBondContact CA-O 3.34Å; L238-Y264 PolarHBondContact N-O 3.11Å; L238-L265 HydrophobicContact CB-CD2 3.88Å; L238-L265 HydrophobicContact CD1-CD2 4.24Å; L238-N268 PolarHBondContact O-ND2 3.41Å
239	S	98.8	Very high	97.4	Very high	12 Å²	12	42 Å²	42	8%	0.084	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	152.8	-178.1	-52.5	0	0	0	0	112.5	N216 N217 N237 N241 Y264 R266	N216-S239 CarbonylContact C-O 3.54Å; N216-S239 WeakPolarHBondContact CA-O 3.18Å; N216-S239 WeakPolarHBondContact CB-O 3.4Å; N217-S239 PolarHBondContact N-O 3Å; N237-S239 VanDerWaalsContact OD1-CB 3.22Å; N237-S239 WeakPolarHBondContact OD1-CB 3.49Å; N237-S239 PolarHBondContact OD1-N 3.19Å; N237-S239 PolarHBondContact OD1-OG 2.97Å; S239-N241 VanDerWaalsContact C-N 3.3Å; S239-N241 PolarHBondContact O-N 3.2Å; S239-N241 PolarHBondContact O-ND2 2.91Å; S239-Y264 PolarHBondContact N-O 3.42Å; S239-Y264 WeakPolarHBondContact OG-CB 3.41Å; S239-R266 CarbonylContact C-O 3.6Å; S239-R266 WeakPolarHBondContact CA-O 3.29Å; S239-R266 VanDerWaalsContact CB-O 3.3Å; S239-R266 WeakPolarHBondContact CB-O 3.27Å
240	G	98.6	Very high	97.5	Very high	17 Å²	17	41.4 Å²	41.4	18%	0.175	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	31.3	174.3	0	0	0	0	0	113.7	N217 R266 Q267	N217-G240 WeakPolarHBondContact CA-O 3.16Å; N217-G240 PolarHBondContact N-O 3.07Å; G240-R266 PolarHBondContact N-O 3.28Å; G240-Q267 VanDerWaalsContact CA-O 3.28Å; G240-Q267 WeakPolarHBondContact CA-O 3.38Å
241	N	98.8	Very high	97.5	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.043	22%	0.221	C	C	.	.	S	Bend	trans	-105.8	-161.1	176.2	-85.9	-73.3	0	0	0	110.2	L215 N218 S219 L220 L238 S239 F243 N268 P269	L215-N241 PolarHBondContact O-ND2 2.98Å; N218-N241 VanDerWaalsContact CA-OD1 3.31Å; N218-N241 WeakPolarHBondContact CA-OD1 3.47Å; N218-N241 WeakPolarHBondContact CB-OD1 3.3Å; N218-N241 PolarHBondContact N-OD1 2.93Å; N218-N241 PolarHBondContact O-OD1 2.91Å; S219-N241 PolarHBondContact N-OD1 3Å; L220-N241 HydrophobicContact CB-CB 4.24Å; L220-N241 VanDerWaalsContact CB-OD1 3.29Å; L220-N241 WeakPolarHBondContact CB-OD1 3.48Å; L220-N241 VanDerWaalsContact CG-OD1 3.31Å; L220-N241 WeakPolarHBondContact CG-OD1 2.98Å; L220-N241 PolarHBondContact N-OD1 2.76Å; L238-N241 PolarHBondContact O-ND2 2.89Å; S239-N241 VanDerWaalsContact C-N 3.3Å; S239-N241 PolarHBondContact O-N 3.2Å; S239-N241 PolarHBondContact O-ND2 2.91Å; N241-F243 HydrophobicContact CB-CD2 3.63Å; N241-F243 HydrophobicContact CB-CE2 3.54Å; N241-N268 WeakPolarHBondContact CA-OD1 3.48Å; N241-N268 VanDerWaalsContact CB-OD1 3.22Å; N241-N268 WeakPolarHBondContact CB-OD1 3.48Å; N241-N268 PolarHBondContact N-OD1 3.47Å; N241-N268 VanDerWaalsContact N-OD1 3.17Å; N241-N268 PolarHBondContact O-OD1 2.98Å; N241-N268 VanDerWaalsContact O-OD1 3.08Å; N241-P269 WeakPolarHBondContact O-CD 3.31Å
242	R	98.3	Very high	97.5	Very high	154 Å²	154	43.4 Å²	43.4	58%	0.581	23%	0.226	S	C	*	.			trans	-113.7	30	-178.3	-60.3	-177.2	-176.5	-162.7	2	112.2	S219 L220 A244 N268	S219-R242 PolarHBondContact OG-NE 3.01Å; S219-R242 PolarHBondContact OG-NH2 3.18Å; L220-R242 CarbonylContact O-C 3.36Å; L220-R242 WeakPolarHBondContact O-CA 3.45Å; L220-R242 PolarHBondContact O-N 3.1Å; R242-A244 PolarHBondContact O-N 3.06Å; R242-A244 VanDerWaalsContact O-N 3.1Å; R242-N268 PolarHBondContact N-OD1 2.82Å
243	F	98.4	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.			trans	-70.2	106.8	176.8	-63.4	-71.5	0	0	0	110.7	L220 F223 L238 N241 L246 N268 P269 W270	L220-F243 HydrophobicContact CB-CE1 4.49Å; L220-F243 HydrophobicContact CB-CE2 4.11Å; L220-F243 HydrophobicContact CB-CZ 3.75Å; L220-F243 PolarHBondContact O-N 3.22Å; F223-F243 HydrophobicContact CB-CE1 3.99Å; F223-F243 HydrophobicContact CB-CZ 3.83Å; L238-F243 HydrophobicContact CB-CE2 3.88Å; L238-F243 HydrophobicContact CD1-CE2 4.27Å; L238-F243 HydrophobicContact CD1-CZ 4.27Å; L238-F243 HydrophobicContact CD2-CE2 4.12Å; L238-F243 HydrophobicContact CD2-CZ 4.19Å; L238-F243 HydrophobicContact CG-CE2 4.32Å; N241-F243 HydrophobicContact CB-CD2 3.63Å; N241-F243 HydrophobicContact CB-CE2 3.54Å; F243-L246 HydrophobicContact CD1-CD2 3.51Å; F243-L246 HydrophobicContact CD1-CG 4.22Å; F243-L246 HydrophobicContact CE1-CD2 3.85Å; F243-L246 HydrophobicContact CG-CD2 4.27Å; F243-N268 HydrophobicContact CB-CB 4.1Å; F243-N268 WeakPolarHBondContact CD2-OD1 3.45Å; F243-N268 PolarHBondContact N-OD1 2.8Å; F243-N268 VanDerWaalsContact N-OD1 3.11Å; F243-P269 CarbonylContact O-C 3.53Å; F243-P269 WeakPolarHBondContact O-CD 3.2Å; F243-W270 HydrophobicContact CB-CH2 3.91Å; F243-W270 HydrophobicContact CB-CZ2 4.37Å; F243-W270 HydrophobicContact CB-CZ3 4.17Å
244	A	97.7	Very high	97.4	Very high	38 Å²	38	42.1 Å²	42.1	31%	0.314	22%	0.219	S	C	.	.	S	Bend	trans	-83.8	-31.1	169.3	0	0	0	0	0	111.8	R242 P269 H271	R242-A244 PolarHBondContact O-N 3.06Å; R242-A244 VanDerWaalsContact O-N 3.1Å; A244-P269 WeakPolarHBondContact CA-O 3.41Å; A244-H271 HydrophobicContact CB-CB 4.21Å; A244-H271 PolarHBondContact O-N 3.32Å
245	R	95.1	Very high	97.2	Very high	147 Å²	147	39.7 Å²	39.7	56%	0.555	22%	0.219	S	C	*	.			trans	-153.2	150.6	-179.6	58.6	-176.7	177.2	-123	-8.3	110.3	E275 L276	R245-E275 WeakPolarHBondContact CD-OE2 3.36Å; R245-E275 IonicContact CZ-OE2 3.03Å; R245-E275 IonicContact NE-OE2 3.94Å; R245-E275 IonicContact NH1-OE2 2.7Å; R245-E275 PolarHBondContact NH1-OE2 2.75Å; R245-L276 HydrophobicContact CB-CD1 4.13Å
246	L	95.9	Very high	97	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.243	C	C	.	.			trans	-129.8	107	169.6	-72.9	-180	0	0	0	108.3	F243 F250 L265 W270 F279	F243-L246 HydrophobicContact CD1-CD2 3.51Å; F243-L246 HydrophobicContact CD1-CG 4.22Å; F243-L246 HydrophobicContact CE1-CD2 3.85Å; F243-L246 HydrophobicContact CG-CD2 4.27Å; L246-F250 HydrophobicContact CB-CB 4.27Å; L246-F250 HydrophobicContact CB-CD1 3.83Å; L246-F250 HydrophobicContact CB-CE1 4.43Å; L246-F250 HydrophobicContact CB-CG 4.09Å; L246-F250 HydrophobicContact CD1-CD1 3.64Å; L246-F250 HydrophobicContact CD1-CD2 4.21Å; L246-F250 HydrophobicContact CD1-CE1 3.43Å; L246-F250 VanDerWaalsContact CD1-CE1 3.43Å; L246-F250 HydrophobicContact CD1-CE2 4Å; L246-F250 HydrophobicContact CD1-CG 4.03Å; L246-F250 HydrophobicContact CD1-CZ 3.6Å; L246-F250 HydrophobicContact CD2-CB 4.25Å; L246-F250 HydrophobicContact CD2-CD1 4.32Å; L246-F250 HydrophobicContact CD2-CD2 3.96Å; L246-F250 HydrophobicContact CD2-CE2 4.37Å; L246-F250 HydrophobicContact CD2-CG 3.9Å; L246-F250 HydrophobicContact CG-CD1 4.15Å; L246-F250 HydrophobicContact CG-CE1 4.41Å; L246-F250 HydrophobicContact CG-CG 4.24Å; L246-L265 HydrophobicContact CD1-CD1 4.36Å; L246-L265 HydrophobicContact CD1-CD2 3.9Å; L246-W270 HydrophobicContact CB-CH2 4.49Å; L246-W270 HydrophobicContact CB-CZ3 4.28Å; L246-W270 HydrophobicContact CD1-CH2 3.54Å; L246-W270 HydrophobicContact CD1-CZ3 4.15Å; L246-W270 HydrophobicContact CG-CH2 3.78Å; L246-W270 HydrophobicContact CG-CZ3 3.89Å; L246-F279 HydrophobicContact CB-CD2 3.75Å; L246-F279 HydrophobicContact CB-CE2 3.89Å; L246-F279 HydrophobicContact CB-CG 4.46Å; L246-F279 HydrophobicContact CD1-CE2 4.05Å; L246-F279 HydrophobicContact CD1-CZ 4.46Å; L246-F279 WeakPolarHBondContact O-CB 3.37Å
247	G	93.5	Very high	96.9	Very high	39 Å²	39	46.7 Å²	46.7	40%	0.402	24%	0.244	S	C	.	.			trans	-82.3	-173.3	-175.4	0	0	0	0	0	114	P249 F250 I251	G247-P249 VanDerWaalsContact C-CD 3.42Å; G247-F250 PolarHBondContact O-N 3.36Å; G247-F250 VanDerWaalsContact O-N 3.12Å; G247-I251 PolarHBondContact O-N 3.49Å
248	S	95.7	Very high	96.7	Very high	74 Å²	74	50.2 Å²	50.2	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-51	-40.7	-178.4	-49.8	0	0	0	0	115.2	F250 I251 E252	S248-F250 VanDerWaalsContact C-N 3.31Å; S248-F250 PolarHBondContact O-N 3.23Å; S248-I251 PolarHBondContact O-N 3.4Å; S248-E252 WeakPolarHBondContact O-CB 3.28Å; S248-E252 PolarHBondContact O-N 2.66Å
249	P	96.3	Very high	96.6	Very high	79 Å²	79	53.4 Å²	53.4	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-38.8	179	-26.5	36.3	0	0	0	113.7	L224 G247 L253	L224-P249 HydrophobicContact CD1-CB 4.19Å; L224-P249 HydrophobicContact CD2-CB 3.86Å; G247-P249 VanDerWaalsContact C-CD 3.42Å; P249-L253 WeakPolarHBondContact O-CB 3.32Å; P249-L253 PolarHBondContact O-N 3.19Å
250	F	97.1	Very high	96.6	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-43.5	175.9	175.3	-89.3	0	0	0	111.1	F223 L224 L238 L246 G247 S248 E252 L253 V254 L263	F223-F250 HydrophobicContact CD1-CD2 4.38Å; F223-F250 AromaticContact CD1-CE2 3.98Å; F223-F250 HydrophobicContact CD1-CE2 3.98Å; F223-F250 WeakPolarHBondContact O-CD2 3.05Å; L224-F250 HydrophobicContact CD2-CB 4.32Å; L238-F250 HydrophobicContact CD1-CE2 3.94Å; L238-F250 HydrophobicContact CD1-CZ 4.2Å; L246-F250 HydrophobicContact CB-CB 4.27Å; L246-F250 HydrophobicContact CB-CD1 3.83Å; L246-F250 HydrophobicContact CB-CE1 4.43Å; L246-F250 HydrophobicContact CB-CG 4.09Å; L246-F250 HydrophobicContact CD1-CD1 3.64Å; L246-F250 HydrophobicContact CD1-CD2 4.21Å; L246-F250 HydrophobicContact CD1-CE1 3.43Å; L246-F250 VanDerWaalsContact CD1-CE1 3.43Å; L246-F250 HydrophobicContact CD1-CE2 4Å; L246-F250 HydrophobicContact CD1-CG 4.03Å; L246-F250 HydrophobicContact CD1-CZ 3.6Å; L246-F250 HydrophobicContact CD2-CB 4.25Å; L246-F250 HydrophobicContact CD2-CD1 4.32Å; L246-F250 HydrophobicContact CD2-CD2 3.96Å; L246-F250 HydrophobicContact CD2-CE2 4.37Å; L246-F250 HydrophobicContact CD2-CG 3.9Å; L246-F250 HydrophobicContact CG-CD1 4.15Å; L246-F250 HydrophobicContact CG-CE1 4.41Å; L246-F250 HydrophobicContact CG-CG 4.24Å; G247-F250 PolarHBondContact O-N 3.36Å; G247-F250 VanDerWaalsContact O-N 3.12Å; S248-F250 VanDerWaalsContact C-N 3.31Å; S248-F250 PolarHBondContact O-N 3.23Å; F250-E252 VanDerWaalsContact C-N 3.31Å; F250-E252 PolarHBondContact O-N 3.03Å; F250-L253 WeakPolarHBondContact O-CB 3.36Å; F250-L253 PolarHBondContact O-N 3.34Å; F250-V254 HydrophobicContact CD1-CG2 4.11Å; F250-V254 HydrophobicContact CD2-CG2 4.35Å; F250-V254 HydrophobicContact CE1-CB 4.45Å; F250-V254 HydrophobicContact CE1-CG2 3.6Å; F250-V254 HydrophobicContact CE2-CG2 3.89Å; F250-V254 HydrophobicContact CG-CG2 4.47Å; F250-V254 HydrophobicContact CZ-CG2 3.49Å; F250-V254 VanDerWaalsContact CZ-CG2 3.49Å; F250-V254 WeakPolarHBondContact O-CG2 3.2Å; F250-V254 PolarHBondContact O-N 2.81Å; F250-L263 HydrophobicContact CE1-CD2 4.13Å; F250-L263 HydrophobicContact CZ-CD2 3.96Å
251	I	97.1	Very high	96.5	Very high	23 Å²	23	59.5 Å²	59.5	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-45.8	178.6	-68.6	166.8	0	0	0	110.3	G247 S248 S255 F279 W282	G247-I251 PolarHBondContact O-N 3.49Å; S248-I251 PolarHBondContact O-N 3.4Å; I251-S255 WeakPolarHBondContact O-CB 3.08Å; I251-S255 PolarHBondContact O-N 2.87Å; I251-S255 PolarHBondContact O-OG 3.07Å; I251-F279 HydrophobicContact CD1-CB 4.37Å; I251-F279 HydrophobicContact CD1-CD2 4.42Å; I251-F279 HydrophobicContact CG1-CD2 4.32Å; I251-W282 HydrophobicContact CB-CG 4.42Å; I251-W282 HydrophobicContact CD1-CB 4.11Å; I251-W282 HydrophobicContact CD1-CG 4.47Å; I251-W282 HydrophobicContact CG1-CB 4.31Å; I251-W282 HydrophobicContact CG1-CD2 4.17Å; I251-W282 HydrophobicContact CG1-CE3 4.41Å; I251-W282 HydrophobicContact CG1-CG 4.14Å; I251-W282 HydrophobicContact CG2-CB 4.03Å; I251-W282 HydrophobicContact CG2-CD2 4.16Å; I251-W282 HydrophobicContact CG2-CG 3.58Å
252	E	96.6	Very high	96.5	Very high	97 Å²	97	59.7 Å²	59.7	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-48.5	177.6	-178.9	176.4	-174.8	0	0	111.5	S248 F250 V254 S255 R256	S248-E252 WeakPolarHBondContact O-CB 3.28Å; S248-E252 PolarHBondContact O-N 2.66Å; F250-E252 VanDerWaalsContact C-N 3.31Å; F250-E252 PolarHBondContact O-N 3.03Å; E252-V254 PolarHBondContact O-N 3.41Å; E252-S255 PolarHBondContact O-N 3.01Å; E252-R256 WeakPolarHBondContact O-CB 3.14Å; E252-R256 VanDerWaalsContact O-CG 3.31Å; E252-R256 WeakPolarHBondContact O-CG 3.2Å; E252-R256 PolarHBondContact O-N 3.29Å; E252-R256 IonicContact OE1-CZ 2.78Å; E252-R256 IonicContact OE1-NE 3.01Å; E252-R256 PolarHBondContact OE1-NE 2.97Å; E252-R256 IonicContact OE1-NH2 3.55Å; E252-R256 PolarHBondContact OE1-NH2 2.8Å
253	L	96.7	Very high	96.5	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-52.3	-58.5	175.8	173.5	68.6	0	0	0	110.9	P225 P227 I230 P249 F250 S255 R256 L257	P225-L253 HydrophobicContact CG-CD2 3.92Å; P227-L253 HydrophobicContact CB-CD1 3.69Å; P227-L253 HydrophobicContact CG-CD1 4.43Å; I230-L253 HydrophobicContact CD1-CD1 4.37Å; P249-L253 WeakPolarHBondContact O-CB 3.32Å; P249-L253 PolarHBondContact O-N 3.19Å; F250-L253 WeakPolarHBondContact O-CB 3.36Å; F250-L253 PolarHBondContact O-N 3.34Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 3.12Å; L253-R256 PolarHBondContact O-N 3.07Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 3.22Å
254	V	96.8	Very high	96.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-37.3	-176.1	171.2	0	0	0	0	111.5	F250 E252 R256 L257 L260 L263 W282 K288	F250-V254 HydrophobicContact CD1-CG2 4.11Å; F250-V254 HydrophobicContact CD2-CG2 4.35Å; F250-V254 HydrophobicContact CE1-CB 4.45Å; F250-V254 HydrophobicContact CE1-CG2 3.6Å; F250-V254 HydrophobicContact CE2-CG2 3.89Å; F250-V254 HydrophobicContact CG-CG2 4.47Å; F250-V254 HydrophobicContact CZ-CG2 3.49Å; F250-V254 VanDerWaalsContact CZ-CG2 3.49Å; F250-V254 WeakPolarHBondContact O-CG2 3.2Å; F250-V254 PolarHBondContact O-N 2.81Å; E252-V254 PolarHBondContact O-N 3.41Å; V254-R256 VanDerWaalsContact C-N 3.3Å; V254-R256 PolarHBondContact O-N 3.39Å; V254-L257 PolarHBondContact O-N 3.08Å; V254-L260 HydrophobicContact CG1-CD2 3.69Å; V254-L263 HydrophobicContact CG1-CD2 4.07Å; V254-L263 HydrophobicContact CG2-CD2 4.36Å; V254-W282 HydrophobicContact CB-CZ2 4.25Å; V254-W282 HydrophobicContact CG1-CH2 4.02Å; V254-W282 HydrophobicContact CG1-CZ2 3.65Å; V254-K288 HydrophobicContact CG1-CD 4.07Å; V254-K288 PolarHBondContact O-NZ 2.9Å
255	S	95.4	Very high	96.5	Very high	57 Å²	57	54 Å²	54	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-35.9	179.1	-59.5	0	0	0	0	111.6	I251 E252 L253 W282 K288	I251-S255 WeakPolarHBondContact O-CB 3.08Å; I251-S255 PolarHBondContact O-N 2.87Å; I251-S255 PolarHBondContact O-OG 3.07Å; E252-S255 PolarHBondContact O-N 3.01Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 3.12Å; S255-W282 PolarHBondContact OG-NE1 3.38Å; S255-W282 VanDerWaalsContact OG-NE1 3.13Å; S255-K288 PolarHBondContact O-NZ 2.9Å
256	R	94.3	Very high	96.7	Very high	180 Å²	180	52.8 Å²	52.8	68%	0.679	28%	0.277	S	S	*	.	H	α-helix	trans	-78.4	-16.9	178.8	-70.4	177	-175.4	-109.1	6.5	114.9	E252 L253 V254 P258	E252-R256 WeakPolarHBondContact O-CB 3.14Å; E252-R256 VanDerWaalsContact O-CG 3.31Å; E252-R256 WeakPolarHBondContact O-CG 3.2Å; E252-R256 PolarHBondContact O-N 3.29Å; E252-R256 IonicContact OE1-CZ 2.78Å; E252-R256 IonicContact OE1-NE 3.01Å; E252-R256 PolarHBondContact OE1-NE 2.97Å; E252-R256 IonicContact OE1-NH2 3.55Å; E252-R256 PolarHBondContact OE1-NH2 2.8Å; L253-R256 PolarHBondContact O-N 3.07Å; V254-R256 VanDerWaalsContact C-N 3.3Å; V254-R256 PolarHBondContact O-N 3.39Å; R256-P258 VanDerWaalsContact O-CD 3.3Å; R256-P258 WeakPolarHBondContact O-CD 3.45Å
257	L	96.5	Very high	96.8	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.309	C	S	.	.			trans	-66.9	114.9	176.8	-67	174.9	0	0	0	110.6	I230 L253 V254 L260 K288	I230-L257 HydrophobicContact CD1-CD1 3.83Å; I230-L257 HydrophobicContact CD1-CD2 3.89Å; I230-L257 HydrophobicContact CD1-CG 4.46Å; I230-L257 HydrophobicContact CG1-CD2 3.95Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 3.22Å; V254-L257 PolarHBondContact O-N 3.08Å; L257-L260 HydrophobicContact CB-CB 3.84Å; L257-L260 HydrophobicContact CD1-CB 4.43Å; L257-L260 HydrophobicContact CD1-CD2 4.18Å; L257-K288 PolarHBondContact O-NZ 3.35Å
258	P	94.8	Very high	97	Very high	97 Å²	97	58.3 Å²	58.3	63%	0.63	29%	0.293	S	S	*	.	S	Bend	trans	-73.1	-34.7	-168.5	27.7	-34.2	0	0	0	112.7	R256	R256-P258 VanDerWaalsContact O-CD 3.3Å; R256-P258 WeakPolarHBondContact O-CD 3.45Å
259	N	96.6	Very high	97.1	Very high	67 Å²	67	57.6 Å²	57.6	36%	0.358	29%	0.286	S	S	.	.	S	Bend	trans	-99.4	-2	-172.7	-63.4	-48.6	0	0	0	113.7	H231 L233 R234 Q261	H231-N259 PolarHBondContact O-ND2 3.17Å; L233-N259 CarbonylContact O-C 3.47Å; L233-N259 VanDerWaalsContact O-C 3.3Å; R234-N259 WeakPolarHBondContact CA-O 3.44Å; R234-N259 HydrophobicContact CG-CB 4.36Å; N259-Q261 PolarHBondContact O-N 2.85Å; N259-Q261 VanDerWaalsContact O-N 3.13Å
260	L	98	Very high	97.2	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.047	26%	0.262	C	S	.	.			trans	-71.6	112.1	-174.3	-168.6	79.4	0	0	0	110.8	L233 L236 V254 L257 L263 K288	L233-L260 HydrophobicContact CB-CD1 4.49Å; L233-L260 HydrophobicContact CD2-CD1 4.16Å; L233-L260 HydrophobicContact CG-CD1 4.28Å; L233-L260 VanDerWaalsContact O-CA 3.27Å; L233-L260 WeakPolarHBondContact O-CA 3.37Å; L233-L260 PolarHBondContact O-N 3.32Å; L236-L260 HydrophobicContact CB-CD1 4.06Å; V254-L260 HydrophobicContact CG1-CD2 3.69Å; L257-L260 HydrophobicContact CB-CB 3.84Å; L257-L260 HydrophobicContact CD1-CB 4.43Å; L257-L260 HydrophobicContact CD1-CD2 4.18Å; L260-L263 HydrophobicContact CD2-CB 4.38Å; L260-K288 HydrophobicContact CD2-CD 4.33Å
261	Q	96.6	Very high	97.2	Very high	147 Å²	147	56.3 Å²	56.3	69%	0.687	27%	0.273	S	S	*	.			trans	-100.5	-34.5	-178.4	-68.9	170.5	-0.8	0	0	112.1	R234 N259	R234-Q261 PolarHBondContact O-N 3.03Å; N259-Q261 PolarHBondContact O-N 2.85Å; N259-Q261 VanDerWaalsContact O-N 3.13Å
262	A	98.2	Very high	97.3	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	114.8	-174	0	0	0	0	0	112.3	R234 Q235 L236 Y264 A290	R234-A262 PolarHBondContact O-N 3.43Å; R234-A262 VanDerWaalsContact O-N 3.1Å; Q235-A262 VanDerWaalsContact CA-O 3.29Å; Q235-A262 WeakPolarHBondContact CA-O 3.33Å; Q235-A262 HydrophobicContact CB-CB 4.45Å; Q235-A262 HydrophobicContact CG-CB 4.1Å; L236-A262 PolarHBondContact N-O 3.48Å; A262-Y264 HydrophobicContact CB-CE2 3.78Å; A262-A290 HydrophobicContact CB-CB 4.22Å
263	L	98.6	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.8	167.5	177.3	61.3	0	0	0	109.5	L236 L238 F250 V254 L260 L265 W282 K288 V289 A290	L236-L263 HydrophobicContact CB-CD1 3.97Å; L236-L263 HydrophobicContact CD2-CD1 3.9Å; L236-L263 HydrophobicContact CG-CD1 3.84Å; L236-L263 WeakPolarHBondContact O-CA 3.34Å; L238-L263 HydrophobicContact CD1-CD1 4.3Å; F250-L263 HydrophobicContact CE1-CD2 4.13Å; F250-L263 HydrophobicContact CZ-CD2 3.96Å; V254-L263 HydrophobicContact CG1-CD2 4.07Å; V254-L263 HydrophobicContact CG2-CD2 4.36Å; L260-L263 HydrophobicContact CD2-CB 4.38Å; L263-L265 HydrophobicContact CD1-CG 4.25Å; L263-L265 HydrophobicContact CD2-CD1 3.69Å; L263-L265 HydrophobicContact CD2-CG 4.19Å; L263-L265 HydrophobicContact CG-CD1 3.96Å; L263-L265 HydrophobicContact CG-CG 3.94Å; L263-W282 HydrophobicContact CD2-CH2 3.96Å; L263-K288 WeakPolarHBondContact CB-O 3.22Å; L263-K288 PolarHBondContact N-O 3.37Å; L263-V289 HydrophobicContact CD2-CG2 4.06Å; L263-V289 CarbonylContact O-C 3.54Å; L263-V289 WeakPolarHBondContact O-CA 3.3Å; L263-A290 PolarHBondContact O-N 3.31Å
264	Y	98.8	Very high	97.1	Very high	72 Å²	72	51.7 Å²	51.7	28%	0.282	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.8	175.5	-60.5	-93.6	0	0	0	111	Q235 L236 N237 L238 S239 A262 A290 D291	Q235-Y264 HydrophobicContact CG-CD2 4.29Å; Q235-Y264 HydrophobicContact CG-CE2 3.87Å; L236-Y264 PolarHBondContact O-N 3.1Å; N237-Y264 HydrophobicContact CB-CD2 4.37Å; N237-Y264 WeakPolarHBondContact OD1-CB 3.47Å; L238-Y264 CarbonylContact C-O 3.53Å; L238-Y264 WeakPolarHBondContact CA-O 3.34Å; L238-Y264 PolarHBondContact N-O 3.11Å; S239-Y264 PolarHBondContact N-O 3.42Å; S239-Y264 WeakPolarHBondContact OG-CB 3.41Å; A262-Y264 HydrophobicContact CB-CE2 3.78Å; Y264-A290 HydrophobicContact CD1-CB 4.44Å; Y264-A290 HydrophobicContact CE1-CB 3.95Å; Y264-D291 WeakPolarHBondContact CA-OD1 3.5Å; Y264-D291 WeakPolarHBondContact CA-OD2 3.45Å; Y264-D291 HydrophobicContact CD1-CB 3.91Å
265	L	98.7	Very high	97	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.			trans	-138.2	4.1	-169.8	-79.2	174.5	0	0	0	113.6	L238 L246 L263 N268 W270 F279 V289 D291 L295	L238-L265 HydrophobicContact CB-CD2 3.88Å; L238-L265 HydrophobicContact CD1-CD2 4.24Å; L246-L265 HydrophobicContact CD1-CD1 4.36Å; L246-L265 HydrophobicContact CD1-CD2 3.9Å; L263-L265 HydrophobicContact CD1-CG 4.25Å; L263-L265 HydrophobicContact CD2-CD1 3.69Å; L263-L265 HydrophobicContact CD2-CG 4.19Å; L263-L265 HydrophobicContact CG-CD1 3.96Å; L263-L265 HydrophobicContact CG-CG 3.94Å; L265-N268 PolarHBondContact O-ND2 3.03Å; L265-W270 HydrophobicContact CB-CZ2 4.01Å; L265-W270 HydrophobicContact CD1-CZ2 4.44Å; L265-W270 HydrophobicContact CD2-CH2 4.25Å; L265-W270 HydrophobicContact CD2-CZ2 4.11Å; L265-W270 HydrophobicContact CG-CZ2 4.42Å; L265-W270 PolarHBondContact O-NE1 2.94Å; L265-F279 HydrophobicContact CD1-CE2 4.33Å; L265-F279 HydrophobicContact CD1-CZ 3.83Å; L265-V289 HydrophobicContact CD1-CG1 4.37Å; L265-V289 HydrophobicContact CD1-CG2 4.45Å; L265-D291 PolarHBondContact N-OD1 3Å; L265-D291 VanDerWaalsContact N-OD1 3.12Å; L265-D291 PolarHBondContact N-OD2 3.29Å; L265-L295 HydrophobicContact CB-CD1 4.05Å; L265-L295 HydrophobicContact CB-CD2 3.75Å; L265-L295 WeakPolarHBondContact O-CD2 3.4Å
266	R	98.2	Very high	97.1	Very high	122 Å²	122	54.3 Å²	54.3	46%	0.46	26%	0.261	S	S	.	.			trans	-56.2	162.2	178.3	-87.6	177.8	-169.1	178.5	14.2	112.9	S239 G240 N268 D291 L295	S239-R266 CarbonylContact C-O 3.6Å; S239-R266 WeakPolarHBondContact CA-O 3.29Å; S239-R266 VanDerWaalsContact CB-O 3.3Å; S239-R266 WeakPolarHBondContact CB-O 3.27Å; G240-R266 PolarHBondContact N-O 3.28Å; R266-N268 PolarHBondContact O-N 2.94Å; R266-N268 PolarHBondContact O-ND2 2.88Å; R266-D291 VanDerWaalsContact CB-OD2 3.31Å; R266-D291 WeakPolarHBondContact CB-OD2 3.48Å; R266-D291 HydrophobicContact CG-CB 4Å; R266-D291 WeakPolarHBondContact CG-OD2 3.27Å; R266-D291 PolarHBondContact N-OD2 3.31Å; R266-L295 HydrophobicContact CB-CD2 4.48Å; R266-L295 HydrophobicContact CG-CD2 4.07Å
267	Q	98.1	Very high	97.1	Very high	154 Å²	154	47.4 Å²	47.4	72%	0.72	24%	0.239	S	C	*	.	S	Bend	trans	57	33.1	175.2	-60.3	173.1	-38	0	0	113.8	G240	G240-Q267 VanDerWaalsContact CA-O 3.28Å; G240-Q267 WeakPolarHBondContact CA-O 3.38Å
268	N	98.7	Very high	97.1	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.048	26%	0.258	C	S	.	.			trans	-105.6	146	170.3	-82.7	-72.3	0	0	0	110.1	L238 N241 R242 F243 L265 R266 W270	L238-N268 PolarHBondContact O-ND2 3.41Å; N241-N268 WeakPolarHBondContact CA-OD1 3.48Å; N241-N268 VanDerWaalsContact CB-OD1 3.22Å; N241-N268 WeakPolarHBondContact CB-OD1 3.48Å; N241-N268 PolarHBondContact N-OD1 3.47Å; N241-N268 VanDerWaalsContact N-OD1 3.17Å; N241-N268 PolarHBondContact O-OD1 2.98Å; N241-N268 VanDerWaalsContact O-OD1 3.08Å; R242-N268 PolarHBondContact N-OD1 2.82Å; F243-N268 HydrophobicContact CB-CB 4.1Å; F243-N268 WeakPolarHBondContact CD2-OD1 3.45Å; F243-N268 PolarHBondContact N-OD1 2.8Å; F243-N268 VanDerWaalsContact N-OD1 3.11Å; L265-N268 PolarHBondContact O-ND2 3.03Å; R266-N268 PolarHBondContact O-N 2.94Å; R266-N268 PolarHBondContact O-ND2 2.88Å; N268-W270 HydrophobicContact CB-CD2 4.39Å; N268-W270 HydrophobicContact CB-CZ2 3.87Å; N268-W270 VanDerWaalsContact O-CD1 3.23Å; N268-W270 PolarHBondContact O-N 2.82Å
269	P	97.8	Very high	97.2	Very high	60 Å²	60	45.6 Å²	45.6	39%	0.39	23%	0.229	S	C	.	.			trans	-79.1	58.7	-176.1	34.8	-38.5	0	0	0	112.2	N241 F243 A244 H271	N241-P269 WeakPolarHBondContact O-CD 3.31Å; F243-P269 CarbonylContact O-C 3.53Å; F243-P269 WeakPolarHBondContact O-CD 3.2Å; A244-P269 WeakPolarHBondContact CA-O 3.41Å; P269-H271 PolarHBondContact O-N 2.95Å
270	W	98.3	Very high	97.3	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	123.9	-176.6	-62	107	0	0	0	111.7	F243 L246 L265 N268 C272 L276 F279 C297 G298 T299 L310	F243-W270 HydrophobicContact CB-CH2 3.91Å; F243-W270 HydrophobicContact CB-CZ2 4.37Å; F243-W270 HydrophobicContact CB-CZ3 4.17Å; L246-W270 HydrophobicContact CB-CH2 4.49Å; L246-W270 HydrophobicContact CB-CZ3 4.28Å; L246-W270 HydrophobicContact CD1-CH2 3.54Å; L246-W270 HydrophobicContact CD1-CZ3 4.15Å; L246-W270 HydrophobicContact CG-CH2 3.78Å; L246-W270 HydrophobicContact CG-CZ3 3.89Å; L265-W270 HydrophobicContact CB-CZ2 4.01Å; L265-W270 HydrophobicContact CD1-CZ2 4.44Å; L265-W270 HydrophobicContact CD2-CH2 4.25Å; L265-W270 HydrophobicContact CD2-CZ2 4.11Å; L265-W270 HydrophobicContact CG-CZ2 4.42Å; L265-W270 PolarHBondContact O-NE1 2.94Å; N268-W270 HydrophobicContact CB-CD2 4.39Å; N268-W270 HydrophobicContact CB-CZ2 3.87Å; N268-W270 VanDerWaalsContact O-CD1 3.23Å; N268-W270 PolarHBondContact O-N 2.82Å; W270-C272 PolarHBondContact O-N 3.23Å; W270-L276 HydrophobicContact CB-CD2 4.36Å; W270-L276 HydrophobicContact CE3-CD1 4.02Å; W270-L276 HydrophobicContact CZ3-CD1 4.42Å; W270-F279 HydrophobicContact CE3-CE1 4.33Å; W270-F279 HydrophobicContact CH2-CE1 4.06Å; W270-F279 AromaticContact CH2-CZ 3.95Å; W270-F279 HydrophobicContact CH2-CZ 3.95Å; W270-F279 HydrophobicContact CZ2-CE1 4.46Å; W270-F279 HydrophobicContact CZ2-CZ 4.43Å; W270-F279 HydrophobicContact CZ3-CD1 4.34Å; W270-F279 AromaticContact CZ3-CE1 3.98Å; W270-F279 HydrophobicContact CZ3-CE1 3.98Å; W270-F279 HydrophobicContact CZ3-CZ 4.22Å; W270-C297 CarbonylContact O-C 3.53Å; W270-G298 PolarHBondContact O-N 3.44Å; W270-T299 PolarHBondContact O-N 3.42Å; W270-T299 VanDerWaalsContact O-N 3.15Å; W270-T299 VanDerWaalsContact O-O 3.07Å; W270-L310 HydrophobicContact CB-CD1 3.98Å; W270-L310 HydrophobicContact CB-CD2 4.19Å; W270-L310 HydrophobicContact CD2-CD2 3.98Å; W270-L310 HydrophobicContact CE3-CD2 4.46Å; W270-L310 HydrophobicContact CG-CD1 4.14Å; W270-L310 HydrophobicContact CG-CD2 3.82Å
271	H	97.5	Very high	97.2	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.25	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	92.8	177.2	-173.9	59.4	0	0	0	109.7	A244 P269 S273 T299	A244-H271 HydrophobicContact CB-CB 4.21Å; A244-H271 PolarHBondContact O-N 3.32Å; P269-H271 PolarHBondContact O-N 2.95Å; H271-S273 VanDerWaalsContact C-N 3.31Å; H271-S273 PolarHBondContact CD2-OG 3.12Å; H271-S273 PolarHBondContact O-N 3.13Å; H271-T299 CarbonylContact C-O 3.56Å; H271-T299 WeakPolarHBondContact CA-O 3.39Å; H271-T299 PolarHBondContact ND1-OG1 3.33Å
272	C	97.4	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	83.9	-178.7	-67.3	0	0	0	0	110.9	W270 L276 C297 T299 A300 I301 L318	W270-C272 PolarHBondContact O-N 3.23Å; C272-L276 HydrophobicContact CB-CD2 4.46Å; C272-C297 HydrophobicContact CB-CB 3.77Å; C272-C297 WeakPolarHBondContact CB-SG 3.44Å; C272-C297 VanDerWaalsContact SG-CA 3.54Å; C272-C297 WeakPolarHBondContact SG-CB 3.31Å; C272-C297 CovalentContact SG-SG 2.03Å; C272-C297 PolarHBondContact SG-SG 3.4Å; C272-T299 PolarHBondContact N-O 2.97Å; C272-A300 HydrophobicContact CB-CB 3.78Å; C272-A300 CarbonylContact O-C 3.56Å; C272-A300 VanDerWaalsContact O-CA 3.24Å; C272-A300 WeakPolarHBondContact O-CA 3.41Å; C272-A300 WeakPolarHBondContact O-CB 3.43Å; C272-I301 PolarHBondContact O-N 2.83Å; C272-L318 HydrophobicContact CB-CD2 4.07Å
273	S	96.1	Very high	97.2	Very high	4 Å²	4	40 Å²	40	3%	0.028	20%	0.199	C	C	.	.	S	Bend	trans	-128.7	-179.9	174.8	65.7	0	0	0	0	109.6	H271 E275 L276 R319	H271-S273 VanDerWaalsContact C-N 3.31Å; H271-S273 PolarHBondContact CD2-OG 3.12Å; H271-S273 PolarHBondContact O-N 3.13Å; S273-E275 PolarHBondContact O-N 2.84Å; S273-E275 VanDerWaalsContact O-N 3.09Å; S273-L276 PolarHBondContact O-N 3.17Å; S273-R319 WeakPolarHBondContact CA-O 3.24Å; S273-R319 WeakPolarHBondContact CB-O 3.1Å
274	C	94.7	Very high	97.1	Very high	34 Å²	34	43.7 Å²	43.7	23%	0.23	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-52.8	-29.8	176.2	65.4	0	0	0	0	113.9	L276 T277 R319 C320	C274-L276 PolarHBondContact O-N 2.66Å; C274-T277 WeakPolarHBondContact O-CB 3.5Å; C274-T277 PolarHBondContact O-N 3.13Å; C274-T277 PolarHBondContact O-OG1 2.92Å; C274-R319 PolarHBondContact N-O 3.45Å; C274-C320 HydrophobicContact CB-CB 4.13Å; C274-C320 WeakPolarHBondContact CB-SG 3.46Å; C274-C320 WeakPolarHBondContact SG-CA 3.36Å; C274-C320 WeakPolarHBondContact SG-CB 3.23Å; C274-C320 CovalentContact SG-SG 2Å; C274-C320 PolarHBondContact SG-SG 3.01Å
275	E	94	Very high	96.9	Very high	112 Å²	112	44.6 Å²	44.6	52%	0.523	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-69.4	-21.7	180	-62.8	-177.6	179.1	0	0	112.8	R245 S273 T277	R245-E275 WeakPolarHBondContact CD-OE2 3.36Å; R245-E275 IonicContact CZ-OE2 3.03Å; R245-E275 IonicContact NE-OE2 3.94Å; R245-E275 IonicContact NH1-OE2 2.7Å; R245-E275 PolarHBondContact NH1-OE2 2.75Å; S273-E275 PolarHBondContact O-N 2.84Å; S273-E275 VanDerWaalsContact O-N 3.09Å; E275-T277 VanDerWaalsContact C-N 3.33Å
276	L	96.4	Very high	96.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-87.7	-4	-179.7	-159.8	66	0	0	0	112.6	R245 W270 C272 S273 C274 S278 F279 I280 L310	R245-L276 HydrophobicContact CB-CD1 4.13Å; W270-L276 HydrophobicContact CB-CD2 4.36Å; W270-L276 HydrophobicContact CE3-CD1 4.02Å; W270-L276 HydrophobicContact CZ3-CD1 4.42Å; C272-L276 HydrophobicContact CB-CD2 4.46Å; S273-L276 PolarHBondContact O-N 3.17Å; C274-L276 PolarHBondContact O-N 2.66Å; L276-S278 PolarHBondContact O-N 2.98Å; L276-F279 HydrophobicContact CD1-CB 3.95Å; L276-F279 HydrophobicContact CD1-CD1 3.92Å; L276-F279 HydrophobicContact CD1-CG 4.19Å; L276-F279 HydrophobicContact CG-CB 4.33Å; L276-F279 HydrophobicContact CG-CD1 4.31Å; L276-F279 WeakPolarHBondContact O-CB 3.27Å; L276-F279 PolarHBondContact O-N 3.46Å; L276-F279 VanDerWaalsContact O-N 3.09Å; L276-I280 HydrophobicContact CB-CD1 4.44Å; L276-I280 HydrophobicContact CD2-CD1 4.09Å; L276-I280 HydrophobicContact CD2-CG1 4.37Å; L276-I280 HydrophobicContact CG-CD1 4.2Å; L276-I280 HydrophobicContact CG-CG1 4.25Å; L276-I280 PolarHBondContact O-N 2.78Å; L276-L310 HydrophobicContact CD2-CD2 4.1Å; L276-L310 HydrophobicContact CD2-CG 4.35Å
277	T	95.9	Very high	96.5	Very high	35 Å²	35	46 Å²	46	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-51	-173.6	-57.5	0	0	0	0	112.6	C274 E275 F279 I280 L281 E315 L318	C274-T277 WeakPolarHBondContact O-CB 3.5Å; C274-T277 PolarHBondContact O-N 3.13Å; C274-T277 PolarHBondContact O-OG1 2.92Å; E275-T277 VanDerWaalsContact C-N 3.33Å; T277-F279 PolarHBondContact O-N 2.75Å; T277-I280 PolarHBondContact O-N 2.72Å; T277-L281 HydrophobicContact CG2-CD1 4.05Å; T277-L281 WeakPolarHBondContact O-CG 2.86Å; T277-L281 PolarHBondContact O-N 2.74Å; T277-E315 HydrophobicContact CG2-CB 4Å; T277-E315 HydrophobicContact CG2-CG 4Å; T277-L318 WeakPolarHBondContact OG1-CD1 3.35Å
278	S	95.9	Very high	96.4	Very high	63 Å²	63	40.1 Å²	40.1	44%	0.441	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-35.6	-179.7	-52.9	0	0	0	0	112.4	L276 W282	L276-S278 PolarHBondContact O-N 2.98Å; S278-W282 WeakPolarHBondContact O-CB 3.24Å; S278-W282 PolarHBondContact O-N 3.47Å
279	F	97.2	Very high	96.3	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-43	177.2	-176.8	-102.4	0	0	0	112	L246 I251 L265 W270 L276 T277 W282 L283 L295 L310	L246-F279 HydrophobicContact CB-CD2 3.75Å; L246-F279 HydrophobicContact CB-CE2 3.89Å; L246-F279 HydrophobicContact CB-CG 4.46Å; L246-F279 HydrophobicContact CD1-CE2 4.05Å; L246-F279 HydrophobicContact CD1-CZ 4.46Å; L246-F279 WeakPolarHBondContact O-CB 3.37Å; I251-F279 HydrophobicContact CD1-CB 4.37Å; I251-F279 HydrophobicContact CD1-CD2 4.42Å; I251-F279 HydrophobicContact CG1-CD2 4.32Å; L265-F279 HydrophobicContact CD1-CE2 4.33Å; L265-F279 HydrophobicContact CD1-CZ 3.83Å; W270-F279 HydrophobicContact CE3-CE1 4.33Å; W270-F279 HydrophobicContact CH2-CE1 4.06Å; W270-F279 AromaticContact CH2-CZ 3.95Å; W270-F279 HydrophobicContact CH2-CZ 3.95Å; W270-F279 HydrophobicContact CZ2-CE1 4.46Å; W270-F279 HydrophobicContact CZ2-CZ 4.43Å; W270-F279 HydrophobicContact CZ3-CD1 4.34Å; W270-F279 AromaticContact CZ3-CE1 3.98Å; W270-F279 HydrophobicContact CZ3-CE1 3.98Å; W270-F279 HydrophobicContact CZ3-CZ 4.22Å; L276-F279 HydrophobicContact CD1-CB 3.95Å; L276-F279 HydrophobicContact CD1-CD1 3.92Å; L276-F279 HydrophobicContact CD1-CG 4.19Å; L276-F279 HydrophobicContact CG-CB 4.33Å; L276-F279 HydrophobicContact CG-CD1 4.31Å; L276-F279 WeakPolarHBondContact O-CB 3.27Å; L276-F279 PolarHBondContact O-N 3.46Å; L276-F279 VanDerWaalsContact O-N 3.09Å; T277-F279 PolarHBondContact O-N 2.75Å; F279-W282 AromaticContact CD2-CE3 3.92Å; F279-W282 HydrophobicContact CD2-CE3 3.92Å; F279-W282 HydrophobicContact CD2-CZ3 4.18Å; F279-W282 AromaticContact CE2-CE3 3.7Å; F279-W282 HydrophobicContact CE2-CE3 3.7Å; F279-W282 AromaticContact CE2-CZ3 3.49Å; F279-W282 HydrophobicContact CE2-CZ3 3.49Å; F279-W282 VanDerWaalsContact CE2-CZ3 3.49Å; F279-W282 HydrophobicContact CZ-CE3 4.39Å; F279-W282 HydrophobicContact CZ-CZ3 4.05Å; F279-W282 PolarHBondContact O-N 2.82Å; F279-L283 HydrophobicContact CE1-CD2 4.43Å; F279-L283 WeakPolarHBondContact O-CB 3.46Å; F279-L283 PolarHBondContact O-N 3.21Å; F279-L295 HydrophobicContact CE1-CD1 4.5Å; F279-L310 HydrophobicContact CD1-CD2 4.17Å; F279-L310 HydrophobicContact CE1-CD2 3.89Å
280	I	97	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-44	176.9	-73.2	167	0	0	0	110.7	L276 T277 L283 K284 L310 V313 E315 L318	L276-I280 HydrophobicContact CB-CD1 4.44Å; L276-I280 HydrophobicContact CD2-CD1 4.09Å; L276-I280 HydrophobicContact CD2-CG1 4.37Å; L276-I280 HydrophobicContact CG-CD1 4.2Å; L276-I280 HydrophobicContact CG-CG1 4.25Å; L276-I280 PolarHBondContact O-N 2.78Å; T277-I280 PolarHBondContact O-N 2.72Å; I280-L283 PolarHBondContact O-N 2.97Å; I280-K284 HydrophobicContact CG2-CD 4.21Å; I280-K284 WeakPolarHBondContact O-CG 3.29Å; I280-K284 PolarHBondContact O-N 2.98Å; I280-L310 HydrophobicContact CG1-CB 4.41Å; I280-L310 HydrophobicContact CG1-CG 4.4Å; I280-V313 HydrophobicContact CD1-CB 4.36Å; I280-V313 HydrophobicContact CD1-CG1 4.31Å; I280-E315 HydrophobicContact CG2-CG 4.36Å; I280-L318 HydrophobicContact CD1-CD1 3.78Å; I280-L318 HydrophobicContact CD1-CD2 4.36Å
281	L	96.2	Very high	96.3	Very high	91 Å²	91	39.9 Å²	39.9	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-48.7	175.6	-73.1	169.8	0	0	0	111.5	T277 L283 K284 A285 E315	T277-L281 HydrophobicContact CG2-CD1 4.05Å; T277-L281 WeakPolarHBondContact O-CG 2.86Å; T277-L281 PolarHBondContact O-N 2.74Å; L281-L283 PolarHBondContact O-N 3.36Å; L281-K284 PolarHBondContact O-N 2.95Å; L281-A285 PolarHBondContact O-N 3.22Å; L281-A285 VanDerWaalsContact O-N 3.13Å; L281-E315 HydrophobicContact CD1-CG 4.5Å; L281-E315 HydrophobicContact CD2-CG 3.76Å; L281-E315 VanDerWaalsContact CD2-OE1 3.28Å; L281-E315 WeakPolarHBondContact CD2-OE1 3.34Å; L281-E315 HydrophobicContact CG-CG 3.83Å
282	W	97.2	Very high	96.3	Very high	28 Å²	28	41.5 Å²	41.5	11%	0.106	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-42.5	175.8	171	79.8	0	0	0	112.2	I251 V254 S255 L263 S278 F279 K284 A285 S286 V289	I251-W282 HydrophobicContact CB-CG 4.42Å; I251-W282 HydrophobicContact CD1-CB 4.11Å; I251-W282 HydrophobicContact CD1-CG 4.47Å; I251-W282 HydrophobicContact CG1-CB 4.31Å; I251-W282 HydrophobicContact CG1-CD2 4.17Å; I251-W282 HydrophobicContact CG1-CE3 4.41Å; I251-W282 HydrophobicContact CG1-CG 4.14Å; I251-W282 HydrophobicContact CG2-CB 4.03Å; I251-W282 HydrophobicContact CG2-CD2 4.16Å; I251-W282 HydrophobicContact CG2-CG 3.58Å; V254-W282 HydrophobicContact CB-CZ2 4.25Å; V254-W282 HydrophobicContact CG1-CH2 4.02Å; V254-W282 HydrophobicContact CG1-CZ2 3.65Å; S255-W282 PolarHBondContact OG-NE1 3.38Å; S255-W282 VanDerWaalsContact OG-NE1 3.13Å; L263-W282 HydrophobicContact CD2-CH2 3.96Å; S278-W282 WeakPolarHBondContact O-CB 3.24Å; S278-W282 PolarHBondContact O-N 3.47Å; F279-W282 AromaticContact CD2-CE3 3.92Å; F279-W282 HydrophobicContact CD2-CE3 3.92Å; F279-W282 HydrophobicContact CD2-CZ3 4.18Å; F279-W282 AromaticContact CE2-CE3 3.7Å; F279-W282 HydrophobicContact CE2-CE3 3.7Å; F279-W282 AromaticContact CE2-CZ3 3.49Å; F279-W282 HydrophobicContact CE2-CZ3 3.49Å; F279-W282 VanDerWaalsContact CE2-CZ3 3.49Å; F279-W282 HydrophobicContact CZ-CE3 4.39Å; F279-W282 HydrophobicContact CZ-CZ3 4.05Å; F279-W282 PolarHBondContact O-N 2.82Å; W282-K284 VanDerWaalsContact C-N 3.31Å; W282-K284 PolarHBondContact O-N 3.31Å; W282-A285 PolarHBondContact O-N 3.49Å; W282-S286 WeakPolarHBondContact O-CB 3.32Å; W282-S286 PolarHBondContact O-N 2.95Å; W282-V289 HydrophobicContact CH2-CG2 3.53Å; W282-V289 HydrophobicContact CZ3-CG2 3.67Å
283	L	97.4	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-38.8	179.3	179.9	69.5	0	0	0	111.9	F279 I280 L281 V289 R292 L295 L310 V311	F279-L283 HydrophobicContact CE1-CD2 4.43Å; F279-L283 WeakPolarHBondContact O-CB 3.46Å; F279-L283 PolarHBondContact O-N 3.21Å; I280-L283 PolarHBondContact O-N 2.97Å; L281-L283 PolarHBondContact O-N 3.36Å; L283-V289 HydrophobicContact CD1-CB 3.75Å; L283-V289 HydrophobicContact CD1-CG1 3.83Å; L283-V289 HydrophobicContact CD1-CG2 3.68Å; L283-R292 HydrophobicContact CD1-CB 3.82Å; L283-R292 HydrophobicContact CG-CB 4.45Å; L283-L295 HydrophobicContact CD1-CD1 3.96Å; L283-L295 HydrophobicContact CD2-CD1 3.9Å; L283-L310 HydrophobicContact CD2-CB 3.79Å; L283-L310 HydrophobicContact CD2-CD2 4.35Å; L283-V311 HydrophobicContact CD2-CG2 3.75Å; L283-V311 HydrophobicContact CG-CG2 4.05Å
284	K	96.5	Very high	96.3	Very high	77 Å²	77	48.1 Å²	48.1	34%	0.335	27%	0.271	S	S	.	.	H	α-helix	trans	-67.9	-37.8	176.1	-73.5	174.7	-179.8	175	0	111.9	I280 L281 W282 V311 V313 E315	I280-K284 HydrophobicContact CG2-CD 4.21Å; I280-K284 WeakPolarHBondContact O-CG 3.29Å; I280-K284 PolarHBondContact O-N 2.98Å; L281-K284 PolarHBondContact O-N 2.95Å; W282-K284 VanDerWaalsContact C-N 3.31Å; W282-K284 PolarHBondContact O-N 3.31Å; K284-V311 WeakPolarHBondContact CE-O 3.44Å; K284-V311 HydrophobicContact CG-CG1 4.4Å; K284-V313 PolarHBondContact NZ-O 3.38Å; K284-E315 WeakPolarHBondContact CD-OE1 3.03Å; K284-E315 WeakPolarHBondContact CE-OE1 3.34Å; K284-E315 IonicContact NZ-OE1 3.03Å; K284-E315 PolarHBondContact NZ-OE1 3.19Å; K284-E315 IonicContact NZ-OE2 3.99Å; K284-E315 PolarHBondContact NZ-OE2 3.35Å
285	A	95.5	Very high	96.4	Very high	90 Å²	90	46.5 Å²	46.5	74%	0.744	26%	0.26	S	S	*	.	H	α-helix	trans	-82.3	-28.4	-179.3	0	0	0	0	0	113.8	L281 W282	L281-A285 PolarHBondContact O-N 3.22Å; L281-A285 VanDerWaalsContact O-N 3.13Å; W282-A285 PolarHBondContact O-N 3.49Å
286	S	93.9	Very high	96.6	Very high	15 Å²	15	45.5 Å²	45.5	11%	0.105	26%	0.258	C	S	.	.			trans	-86.6	143.6	-173.6	-173.7	0	0	0	0	112.6	W282 K288	W282-S286 WeakPolarHBondContact O-CB 3.32Å; W282-S286 PolarHBondContact O-N 2.95Å; S286-K288 PolarHBondContact OG-N 2.87Å
287	N	93.9	Very high	96.7	Very high	136 Å²	136	45.5 Å²	45.5	73%	0.727	26%	0.258	S	S	*	.	S	Bend	trans	-100.7	-1.2	170.2	66.3	-13.9	0	0	0	113.1	V289	N287-V289 VanDerWaalsContact C-N 3.34Å; N287-V289 PolarHBondContact O-N 3.12Å
288	K	96.1	Very high	96.8	Very high	32 Å²	32	45.7 Å²	45.7	14%	0.139	27%	0.267	C	S	.	.			trans	-73.1	-24.1	-176.1	-63.6	-167.1	179.1	-170	0	113.6	V254 S255 L257 L260 L263 S286 A290	V254-K288 HydrophobicContact CG1-CD 4.07Å; V254-K288 PolarHBondContact O-NZ 2.9Å; S255-K288 PolarHBondContact O-NZ 2.9Å; L257-K288 PolarHBondContact O-NZ 3.35Å; L260-K288 HydrophobicContact CD2-CD 4.33Å; L263-K288 WeakPolarHBondContact CB-O 3.22Å; L263-K288 PolarHBondContact N-O 3.37Å; S286-K288 PolarHBondContact OG-N 2.87Å; K288-A290 PolarHBondContact O-N 3Å
289	V	98	Very high	96.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-86.5	98.8	-178.4	-171.2	0	0	0	0	109.7	L263 L265 W282 L283 N287 D291 R292 L295	L263-V289 HydrophobicContact CD2-CG2 4.06Å; L263-V289 CarbonylContact O-C 3.54Å; L263-V289 WeakPolarHBondContact O-CA 3.3Å; L265-V289 HydrophobicContact CD1-CG1 4.37Å; L265-V289 HydrophobicContact CD1-CG2 4.45Å; W282-V289 HydrophobicContact CH2-CG2 3.53Å; W282-V289 HydrophobicContact CZ3-CG2 3.67Å; L283-V289 HydrophobicContact CD1-CB 3.75Å; L283-V289 HydrophobicContact CD1-CG1 3.83Å; L283-V289 HydrophobicContact CD1-CG2 3.68Å; N287-V289 VanDerWaalsContact C-N 3.34Å; N287-V289 PolarHBondContact O-N 3.12Å; V289-D291 WeakPolarHBondContact CG1-OD1 3.41Å; V289-D291 PolarHBondContact O-N 3.3Å; V289-R292 HydrophobicContact CB-CB 4.06Å; V289-R292 HydrophobicContact CG1-CB 3.98Å; V289-R292 WeakPolarHBondContact O-CB 3.45Å; V289-R292 PolarHBondContact O-N 2.78Å; V289-L295 HydrophobicContact CG1-CD1 4.27Å
290	A	98	Very high	96.9	Very high	56 Å²	56	46.4 Å²	46.4	46%	0.463	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.3	-174.9	0	0	0	0	0	112	A262 L263 Y264 K288	A262-A290 HydrophobicContact CB-CB 4.22Å; L263-A290 PolarHBondContact O-N 3.31Å; Y264-A290 HydrophobicContact CD1-CB 4.44Å; Y264-A290 HydrophobicContact CE1-CB 3.95Å; K288-A290 PolarHBondContact O-N 3Å
291	D	97.8	Very high	96.7	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.027	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	18.6	-174	70.7	-12	0	0	0	114	Y264 L265 R266 V289 H293 G294	Y264-D291 WeakPolarHBondContact CA-OD1 3.5Å; Y264-D291 WeakPolarHBondContact CA-OD2 3.45Å; Y264-D291 HydrophobicContact CD1-CB 3.91Å; L265-D291 PolarHBondContact N-OD1 3Å; L265-D291 VanDerWaalsContact N-OD1 3.12Å; L265-D291 PolarHBondContact N-OD2 3.29Å; R266-D291 VanDerWaalsContact CB-OD2 3.31Å; R266-D291 WeakPolarHBondContact CB-OD2 3.48Å; R266-D291 HydrophobicContact CG-CB 4Å; R266-D291 WeakPolarHBondContact CG-OD2 3.27Å; R266-D291 PolarHBondContact N-OD2 3.31Å; V289-D291 WeakPolarHBondContact CG1-OD1 3.41Å; V289-D291 PolarHBondContact O-N 3.3Å; D291-H293 VanDerWaalsContact C-N 3.26Å; D291-H293 PolarHBondContact O-N 3.39Å; D291-G294 PolarHBondContact O-N 3.47Å
292	R	96.7	Very high	96.7	Very high	89 Å²	89	46.7 Å²	46.7	34%	0.336	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-47.6	-39	-171.7	65.1	-175.4	-173.8	-178.4	-2.9	115.5	L283 V289 G294 L295 V311	L283-R292 HydrophobicContact CD1-CB 3.82Å; L283-R292 HydrophobicContact CG-CB 4.45Å; V289-R292 HydrophobicContact CB-CB 4.06Å; V289-R292 HydrophobicContact CG1-CB 3.98Å; V289-R292 WeakPolarHBondContact O-CB 3.45Å; V289-R292 PolarHBondContact O-N 2.78Å; R292-G294 PolarHBondContact O-N 3.23Å; R292-L295 PolarHBondContact O-N 2.83Å; R292-V311 HydrophobicContact CB-CG2 4.32Å; R292-V311 WeakPolarHBondContact O-CG2 3.42Å
293	H	96.3	Very high	96.5	Very high	117 Å²	117	53.1 Å²	53.1	54%	0.542	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-73	-19.5	-177.7	-63.6	-64.7	0	0	0	113	D291 S309	D291-H293 VanDerWaalsContact C-N 3.26Å; D291-H293 PolarHBondContact O-N 3.39Å; H293-S309 PolarHBondContact O-OG 3.09Å
294	G	97	Very high	96.4	Very high	25 Å²	25	60.2 Å²	60.2	26%	0.258	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-93.2	4.3	178.3	0	0	0	0	0	114.5	D291 R292	D291-G294 PolarHBondContact O-N 3.47Å; R292-G294 PolarHBondContact O-N 3.23Å
295	L	98.3	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.327	C	S	.	.			trans	-79.5	122.3	174.9	-52.8	-168.8	0	0	0	109.4	L265 R266 F279 L283 V289 R292 S309 L310	L265-L295 HydrophobicContact CB-CD1 4.05Å; L265-L295 HydrophobicContact CB-CD2 3.75Å; L265-L295 WeakPolarHBondContact O-CD2 3.4Å; R266-L295 HydrophobicContact CB-CD2 4.48Å; R266-L295 HydrophobicContact CG-CD2 4.07Å; F279-L295 HydrophobicContact CE1-CD1 4.5Å; L283-L295 HydrophobicContact CD1-CD1 3.96Å; L283-L295 HydrophobicContact CD2-CD1 3.9Å; V289-L295 HydrophobicContact CG1-CD1 4.27Å; R292-L295 PolarHBondContact O-N 2.83Å; L295-S309 CarbonylContact O-C 3.44Å; L295-S309 VanDerWaalsContact O-CA 3.25Å; L295-S309 WeakPolarHBondContact O-CA 3.42Å; L295-L310 HydrophobicContact CB-CB 4.25Å; L295-L310 HydrophobicContact CB-CD1 4.27Å; L295-L310 HydrophobicContact CB-CD2 4.12Å; L295-L310 HydrophobicContact CB-CG 4.45Å; L295-L310 HydrophobicContact CD1-CD2 4.46Å; L295-L310 PolarHBondContact O-N 3.48Å
296	L	98.3	Very high	96.5	Very high	91 Å²	91	56.5 Å²	56.5	48%	0.476	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-118.6	146	-176.5	-56	178.1	0	0	0	111.2	G298 R308	L296-G298 PolarHBondContact O-N 3Å; L296-R308 CarbonylContact C-O 3.56Å; L296-R308 WeakPolarHBondContact CA-O 3.18Å
297	C	98.3	Very high	96.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	112.3	169.7	-60.7	0	0	0	0	109.4	W270 C272 L305 G307 R308	W270-C297 CarbonylContact O-C 3.53Å; C272-C297 HydrophobicContact CB-CB 3.77Å; C272-C297 WeakPolarHBondContact CB-SG 3.44Å; C272-C297 VanDerWaalsContact SG-CA 3.54Å; C272-C297 WeakPolarHBondContact SG-CB 3.31Å; C272-C297 CovalentContact SG-SG 2.03Å; C272-C297 PolarHBondContact SG-SG 3.4Å; C297-L305 VanDerWaalsContact CB-O 3.29Å; C297-L305 WeakPolarHBondContact CB-O 3.42Å; C297-G307 PolarHBondContact O-N 3.3Å; C297-R308 PolarHBondContact N-O 2.93Å; C297-R308 PolarHBondContact SG-O 3.21Å
298	G	97.5	Very high	96.8	Very high	39 Å²	39	58.9 Å²	58.9	40%	0.402	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-39.9	172.7	0	0	0	0	0	111.6	W270 L296 T306	W270-G298 PolarHBondContact O-N 3.44Å; L296-G298 PolarHBondContact O-N 3Å; G298-T306 WeakPolarHBondContact O-CG2 3.4Å
299	T	97.2	Very high	96.9	Very high	71 Å²	71	58 Å²	58	44%	0.436	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160.6	170.7	53.6	0	0	0	0	108.8	W270 H271 C272	W270-T299 PolarHBondContact O-N 3.42Å; W270-T299 VanDerWaalsContact O-N 3.15Å; W270-T299 VanDerWaalsContact O-O 3.07Å; H271-T299 CarbonylContact C-O 3.56Å; H271-T299 WeakPolarHBondContact CA-O 3.39Å; H271-T299 PolarHBondContact ND1-OG1 3.33Å; C272-T299 PolarHBondContact N-O 2.97Å
300	A	96.7	Very high	96.9	Very high	7 Å²	7	57.9 Å²	57.9	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	158.1	-178.4	0	0	0	0	0	114.1	C272 P302 Q303 L305	C272-A300 HydrophobicContact CB-CB 3.78Å; C272-A300 CarbonylContact O-C 3.56Å; C272-A300 VanDerWaalsContact O-CA 3.24Å; C272-A300 WeakPolarHBondContact O-CA 3.41Å; C272-A300 WeakPolarHBondContact O-CB 3.43Å; A300-P302 CarbonylContact C-O 3.52Å; A300-P302 WeakPolarHBondContact CB-O 3.42Å; A300-P302 CarbonylContact O-C 3.52Å; A300-Q303 PolarHBondContact O-N 2.92Å; A300-L305 HydrophobicContact CB-CB 3.55Å
301	I	94.6	Very high	96.8	Very high	48 Å²	48	57 Å²	57	25%	0.246	31%	0.309	C	S	.	.	S	Bend	trans	-126	110.3	166.9	-50.5	178.5	0	0	0	107.4	C272 R319	C272-I301 PolarHBondContact O-N 2.83Å; I301-R319 HydrophobicContact CG2-CB 3.87Å; I301-R319 PolarHBondContact O-N 2.97Å
302	P	94.9	Very high	96.7	Very high	49 Å²	49	65 Å²	65	32%	0.318	34%	0.344	S	S	.	.	S	Bend	cis	-78.8	157.4	4.6	38.9	-41.7	0	0	0	112.5	A300 Q304 L305 D317	A300-P302 CarbonylContact C-O 3.52Å; A300-P302 WeakPolarHBondContact CB-O 3.42Å; A300-P302 CarbonylContact O-C 3.52Å; P302-Q304 VanDerWaalsContact CB-OE1 3.25Å; P302-Q304 PolarHBondContact O-N 3.48Å; P302-L305 HydrophobicContact CG-CD1 4.48Å; P302-L305 HydrophobicContact CG-CG 4.39Å; P302-L305 PolarHBondContact O-N 3.25Å; P302-L305 VanDerWaalsContact O-N 3.08Å; P302-D317 VanDerWaalsContact CD-O 3.22Å; P302-D317 WeakPolarHBondContact CD-O 3.49Å
303	Q	94.3	Very high	96.7	Very high	163 Å²	163	61 Å²	61	76%	0.762	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-58.1	-23.7	-171.4	-71.3	-179	-9.8	0	0	114.2	A300 L305 T306	A300-Q303 PolarHBondContact O-N 2.92Å; Q303-L305 PolarHBondContact O-N 3.49Å; Q303-T306 VanDerWaalsContact O-CB 3.26Å; Q303-T306 WeakPolarHBondContact O-CB 3.26Å; Q303-T306 PolarHBondContact O-N 3.35Å; Q303-T306 PolarHBondContact O-OG1 2.97Å
304	Q	95.6	Very high	96.7	Very high	150 Å²	150	58.6 Å²	58.6	70%	0.701	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-61.9	-18.9	177.9	-64	80.2	-2.6	0	0	113.5	P302 T306	P302-Q304 VanDerWaalsContact CB-OE1 3.25Å; P302-Q304 PolarHBondContact O-N 3.48Å; Q304-T306 VanDerWaalsContact C-N 3.3Å
305	L	96.2	Very high	96.4	Very high	18 Å²	18	59.5 Å²	59.5	9%	0.094	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-81.1	-7.9	175.3	-64.4	178.7	0	0	0	113	C297 A300 P302 Q303 G307 R308 V313 D317 L318	C297-L305 VanDerWaalsContact CB-O 3.29Å; C297-L305 WeakPolarHBondContact CB-O 3.42Å; A300-L305 HydrophobicContact CB-CB 3.55Å; P302-L305 HydrophobicContact CG-CD1 4.48Å; P302-L305 HydrophobicContact CG-CG 4.39Å; P302-L305 PolarHBondContact O-N 3.25Å; P302-L305 VanDerWaalsContact O-N 3.08Å; Q303-L305 PolarHBondContact O-N 3.49Å; L305-G307 PolarHBondContact O-N 3.41Å; L305-R308 WeakPolarHBondContact O-CB 3.38Å; L305-R308 VanDerWaalsContact O-CG 3.28Å; L305-R308 WeakPolarHBondContact O-CG 3.09Å; L305-R308 PolarHBondContact O-N 2.9Å; L305-R308 VanDerWaalsContact O-N 3.07Å; L305-V313 HydrophobicContact CD1-CG1 4.19Å; L305-D317 HydrophobicContact CD1-CB 4.29Å; L305-L318 HydrophobicContact CD1-CD2 4.12Å
306	T	97.1	Very high	96.1	Very high	71 Å²	71	67.2 Å²	67.2	44%	0.436	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	136.8	178.3	-54.3	0	0	0	0	111.1	G298 Q303 Q304 R308	G298-T306 WeakPolarHBondContact O-CG2 3.4Å; Q303-T306 VanDerWaalsContact O-CB 3.26Å; Q303-T306 WeakPolarHBondContact O-CB 3.26Å; Q303-T306 PolarHBondContact O-N 3.35Å; Q303-T306 PolarHBondContact O-OG1 2.97Å; Q304-T306 VanDerWaalsContact C-N 3.3Å; T306-R308 PolarHBondContact O-N 3.42Å
307	G	97.3	Very high	96	Very high	48 Å²	48	66.7 Å²	66.7	50%	0.495	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-4.9	-175.7	0	0	0	0	0	115.1	C297 L305	C297-G307 PolarHBondContact O-N 3.3Å; L305-G307 PolarHBondContact O-N 3.41Å
308	R	97.1	Very high	95.8	Very high	153 Å²	153	67 Å²	67	58%	0.577	35%	0.351	S	S	*	.			trans	-71.7	147.7	174.6	-66.2	-71.6	-174.5	147.8	-2.9	111	L296 C297 L305 T306 V313	L296-R308 CarbonylContact C-O 3.56Å; L296-R308 WeakPolarHBondContact CA-O 3.18Å; C297-R308 PolarHBondContact N-O 2.93Å; C297-R308 PolarHBondContact SG-O 3.21Å; L305-R308 WeakPolarHBondContact O-CB 3.38Å; L305-R308 VanDerWaalsContact O-CG 3.28Å; L305-R308 WeakPolarHBondContact O-CG 3.09Å; L305-R308 PolarHBondContact O-N 2.9Å; L305-R308 VanDerWaalsContact O-N 3.07Å; T306-R308 PolarHBondContact O-N 3.42Å; R308-V313 HydrophobicContact CB-CG2 4.04Å
309	S	97.7	Very high	95.7	Very high	14 Å²	14	71.3 Å²	71.3	10%	0.098	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-69.8	131.4	171.8	176	0	0	0	0	110.5	H293 L295 V311 K312 V313	H293-S309 PolarHBondContact O-OG 3.09Å; L295-S309 CarbonylContact O-C 3.44Å; L295-S309 VanDerWaalsContact O-CA 3.25Å; L295-S309 WeakPolarHBondContact O-CA 3.42Å; S309-V311 PolarHBondContact O-N 3.4Å; S309-K312 WeakPolarHBondContact O-CA 3.48Å; S309-K312 WeakPolarHBondContact O-CB 3.24Å; S309-K312 PolarHBondContact O-N 2.86Å; S309-V313 PolarHBondContact O-N 2.93Å
310	L	97.6	Very high	95.4	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-55.7	-38.5	-178	-90.1	63	0	0	0	112.4	W270 L276 F279 I280 L283 L295 K312 V313	W270-L310 HydrophobicContact CB-CD1 3.98Å; W270-L310 HydrophobicContact CB-CD2 4.19Å; W270-L310 HydrophobicContact CD2-CD2 3.98Å; W270-L310 HydrophobicContact CE3-CD2 4.46Å; W270-L310 HydrophobicContact CG-CD1 4.14Å; W270-L310 HydrophobicContact CG-CD2 3.82Å; L276-L310 HydrophobicContact CD2-CD2 4.1Å; L276-L310 HydrophobicContact CD2-CG 4.35Å; F279-L310 HydrophobicContact CD1-CD2 4.17Å; F279-L310 HydrophobicContact CE1-CD2 3.89Å; I280-L310 HydrophobicContact CG1-CB 4.41Å; I280-L310 HydrophobicContact CG1-CG 4.4Å; L283-L310 HydrophobicContact CD2-CB 3.79Å; L283-L310 HydrophobicContact CD2-CD2 4.35Å; L295-L310 HydrophobicContact CB-CB 4.25Å; L295-L310 HydrophobicContact CB-CD1 4.27Å; L295-L310 HydrophobicContact CB-CD2 4.12Å; L295-L310 HydrophobicContact CB-CG 4.45Å; L295-L310 HydrophobicContact CD1-CD2 4.46Å; L295-L310 PolarHBondContact O-N 3.48Å; L310-K312 PolarHBondContact O-N 3.23Å; L310-V313 PolarHBondContact O-N 3.37Å
311	V	96.5	Very high	94.8	Very high	36 Å²	36	74.5 Å²	74.5	22%	0.218	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-66.3	-23.7	178.4	-178.9	0	0	0	0	111.9	L283 K284 R292 S309	L283-V311 HydrophobicContact CD2-CG2 3.75Å; L283-V311 HydrophobicContact CG-CG2 4.05Å; K284-V311 WeakPolarHBondContact CE-O 3.44Å; K284-V311 HydrophobicContact CG-CG1 4.4Å; R292-V311 HydrophobicContact CB-CG2 4.32Å; R292-V311 WeakPolarHBondContact O-CG2 3.42Å; S309-V311 PolarHBondContact O-N 3.4Å
312	K	96.4	Very high	93.7	Very high	174 Å²	174	80.9 Å²	80.9	76%	0.757	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-94.8	-5.7	179.8	-62.1	-173.6	179.4	-177.8	0	113.7	S309 L310	S309-K312 WeakPolarHBondContact O-CA 3.48Å; S309-K312 WeakPolarHBondContact O-CB 3.24Å; S309-K312 PolarHBondContact O-N 2.86Å; L310-K312 PolarHBondContact O-N 3.23Å
313	V	96.7	Very high	92	Very high	4 Å²	4	80.9 Å²	80.9	2%	0.024	42%	0.416	C	S	.	.	S	Bend	trans	-78.6	129.4	176.7	176.1	0	0	0	0	108.8	I280 K284 L305 R308 S309 L310 L318	I280-V313 HydrophobicContact CD1-CB 4.36Å; I280-V313 HydrophobicContact CD1-CG1 4.31Å; K284-V313 PolarHBondContact NZ-O 3.38Å; L305-V313 HydrophobicContact CD1-CG1 4.19Å; R308-V313 HydrophobicContact CB-CG2 4.04Å; S309-V313 PolarHBondContact O-N 2.93Å; L310-V313 PolarHBondContact O-N 3.37Å; V313-L318 HydrophobicContact CG1-CD2 3.74Å; V313-L318 HydrophobicContact CG1-CG 4.06Å
314	D	95.2	Very high	90.1	Very high	67 Å²	67	79.8 Å²	79.8	36%	0.358	41%	0.411	S	S	.	.			trans	-77.3	129.8	168.1	-167.4	-38.7	0	0	0	108.6	K316 D317	D314-K316 PolarHBondContact O-N 3.46Å; D314-K316 VanDerWaalsContact OD1-CB 3.31Å; D314-K316 WeakPolarHBondContact OD1-CB 3.49Å; D314-K316 WeakPolarHBondContact OD1-CG 3.35Å; D314-K316 PolarHBondContact OD1-N 2.93Å; D314-D317 WeakPolarHBondContact O-CB 3.35Å; D314-D317 PolarHBondContact O-N 3.4Å
315	E	91.8	Very high	88.3	Confident	45 Å²	45	78 Å²	78	21%	0.21	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-56.5	-31	177.4	-64.8	80.7	-175	0	0	112	T277 I280 L281 K284 D317 L318	T277-E315 HydrophobicContact CG2-CB 4Å; T277-E315 HydrophobicContact CG2-CG 4Å; I280-E315 HydrophobicContact CG2-CG 4.36Å; L281-E315 HydrophobicContact CD1-CG 4.5Å; L281-E315 HydrophobicContact CD2-CG 3.76Å; L281-E315 VanDerWaalsContact CD2-OE1 3.28Å; L281-E315 WeakPolarHBondContact CD2-OE1 3.34Å; L281-E315 HydrophobicContact CG-CG 3.83Å; K284-E315 WeakPolarHBondContact CD-OE1 3.03Å; K284-E315 WeakPolarHBondContact CE-OE1 3.34Å; K284-E315 IonicContact NZ-OE1 3.03Å; K284-E315 PolarHBondContact NZ-OE1 3.19Å; K284-E315 IonicContact NZ-OE2 3.99Å; K284-E315 PolarHBondContact NZ-OE2 3.35Å; E315-D317 PolarHBondContact O-N 2.9Å; E315-L318 WeakPolarHBondContact O-CB 3.4Å; E315-L318 PolarHBondContact O-N 3.36Å
316	K	91.9	Very high	86.7	Confident	162 Å²	162	79.7 Å²	79.7	70%	0.704	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-73	-12.2	178	-60.7	175.7	-174.1	172.2	0	113.6	D314 R319	D314-K316 PolarHBondContact O-N 3.46Å; D314-K316 VanDerWaalsContact OD1-CB 3.31Å; D314-K316 WeakPolarHBondContact OD1-CB 3.49Å; D314-K316 WeakPolarHBondContact OD1-CG 3.35Å; D314-K316 PolarHBondContact OD1-N 2.93Å; K316-R319 VanDerWaalsContact O-CZ 3.31Å; K316-R319 PolarHBondContact O-NH1 3.49Å; K316-R319 PolarHBondContact O-NH2 3.29Å
317	D	94.7	Very high	85.2	Confident	79 Å²	79	83 Å²	83	42%	0.422	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-90.2	-18.6	175.8	-67.7	-22.5	0	0	0	112	P302 L305 D314 E315 R319	P302-D317 VanDerWaalsContact CD-O 3.22Å; P302-D317 WeakPolarHBondContact CD-O 3.49Å; L305-D317 HydrophobicContact CD1-CB 4.29Å; D314-D317 WeakPolarHBondContact O-CB 3.35Å; D314-D317 PolarHBondContact O-N 3.4Å; E315-D317 PolarHBondContact O-N 2.9Å; D317-R319 PolarHBondContact O-NH1 2.89Å
318	L	95.4	Very high	84.1	Confident	9 Å²	9	83.6 Å²	83.6	5%	0.047	44%	0.443	C	S	.	.			trans	-68.5	133.1	178.9	-61.9	171	0	0	0	110.5	C272 T277 I280 L305 V313 E315	C272-L318 HydrophobicContact CB-CD2 4.07Å; T277-L318 WeakPolarHBondContact OG1-CD1 3.35Å; I280-L318 HydrophobicContact CD1-CD1 3.78Å; I280-L318 HydrophobicContact CD1-CD2 4.36Å; L305-L318 HydrophobicContact CD1-CD2 4.12Å; V313-L318 HydrophobicContact CG1-CD2 3.74Å; V313-L318 HydrophobicContact CG1-CG 4.06Å; E315-L318 WeakPolarHBondContact O-CB 3.4Å; E315-L318 PolarHBondContact O-N 3.36Å
319	R	94.7	Very high	83.3	Confident	130 Å²	130	84 Å²	84	49%	0.491	45%	0.445	S	S	.	.			trans	-124.1	154	176.6	-61.7	-71.8	174.3	-82.3	-2.8	110.1	S273 C274 I301 K316 D317	S273-R319 WeakPolarHBondContact CA-O 3.24Å; S273-R319 WeakPolarHBondContact CB-O 3.1Å; C274-R319 PolarHBondContact N-O 3.45Å; I301-R319 HydrophobicContact CG2-CB 3.87Å; I301-R319 PolarHBondContact O-N 2.97Å; K316-R319 VanDerWaalsContact O-CZ 3.31Å; K316-R319 PolarHBondContact O-NH1 3.49Å; K316-R319 PolarHBondContact O-NH2 3.29Å; D317-R319 PolarHBondContact O-NH1 2.89Å
320	C	91.2	Very high	82.6	Confident	76 Å²	76	84.9 Å²	84.9	51%	0.514	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-88.7	152	163.1	-48.7	0	0	0	0	108	C274 E322	C274-C320 HydrophobicContact CB-CB 4.13Å; C274-C320 WeakPolarHBondContact CB-SG 3.46Å; C274-C320 WeakPolarHBondContact SG-CA 3.36Å; C274-C320 WeakPolarHBondContact SG-CB 3.23Å; C274-C320 CovalentContact SG-SG 2Å; C274-C320 PolarHBondContact SG-SG 3.01Å; C320-E322 PolarHBondContact O-N 3.5Å
321	S	83.4	Confident	82.2	Confident	68 Å²	68	90 Å²	90	48%	0.476	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-60.6	125	158.8	-171.8	0	0	0	0	107.2	G323	S321-G323 PolarHBondContact O-N 2.92Å; S321-G323 VanDerWaalsContact O-N 3.11Å
322	E	71.6	Confident	81.9	Confident	183 Å²	183	95.9 Å²	95.9	86%	0.855	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-56	121.5	158.8	-67.1	-176.3	179.8	0	0	105.4	C320 H324	C320-E322 PolarHBondContact O-N 3.5Å; E322-H324 PolarHBondContact O-N 3.48Å
323	G	60.4	Low	81.7	Confident	49 Å²	49	90.1 Å²	90.1	51%	0.505	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-51.4	132.6	-173	0	0	0	0	0	109.1	S321 V325 G326	S321-G323 PolarHBondContact O-N 2.92Å; S321-G323 VanDerWaalsContact O-N 3.11Å; G323-V325 PolarHBondContact O-N 2.86Å; G323-G326 PolarHBondContact O-N 3.36Å
324	H	53.8	Low	81.6	Confident	139 Å²	139	94.5 Å²	94.5	64%	0.644	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	1.1	172.5	-79	-64.9	0	0	0	113.9	E322 G326 H327 A328	E322-H324 PolarHBondContact O-N 3.48Å; H324-G326 PolarHBondContact O-N 3.38Å; H324-H327 PolarHBondContact O-N 3.49Å; H324-A328 WeakPolarHBondContact O-CB 3.46Å; H324-A328 PolarHBondContact O-N 3.3Å
325	V	58.3	Low	81.5	Confident	112 Å²	112	95 Å²	95	68%	0.679	52%	0.516	S	S	*	.	H	α-helix	trans	-46.7	-40.5	166.4	-162.9	0	0	0	0	111.2	G323 Y329	G323-V325 PolarHBondContact O-N 2.86Å; V325-Y329 WeakPolarHBondContact O-CB 3.35Å; V325-Y329 PolarHBondContact O-N 3.43Å
326	G	62.4	Low	81.7	Confident	55 Å²	55	95.2 Å²	95.2	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-63.1	-46.5	178.5	0	0	0	0	0	113.7	G323 H324 G330	G323-G326 PolarHBondContact O-N 3.36Å; H324-G326 PolarHBondContact O-N 3.38Å; G326-G330 PolarHBondContact O-N 3.15Å
327	H	65.8	Low	81.9	Confident	141 Å²	141	93.2 Å²	93.2	65%	0.653	52%	0.518	S	S	*	.	H	α-helix	trans	-71.9	-40.8	177.5	-80.5	-82	0	0	0	112.3	H324 Y329 G330 I331	H324-H327 PolarHBondContact O-N 3.49Å; H327-Y329 VanDerWaalsContact C-N 3.31Å; H327-Y329 PolarHBondContact O-N 3.27Å; H327-G330 PolarHBondContact O-N 2.81Å; H327-I331 WeakPolarHBondContact O-CB 3.25Å; H327-I331 VanDerWaalsContact O-CG1 3.23Å; H327-I331 WeakPolarHBondContact O-CG1 3.23Å; H327-I331 PolarHBondContact O-N 2.9Å
328	A	73.7	Confident	82	Confident	60 Å²	60	92.5 Å²	92.5	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.2	0	0	0	0	0	111.3	H324 I331 Y332	H324-A328 WeakPolarHBondContact O-CB 3.46Å; H324-A328 PolarHBondContact O-N 3.3Å; A328-I331 PolarHBondContact O-N 3.26Å; A328-Y332 VanDerWaalsContact O-CB 3.27Å; A328-Y332 WeakPolarHBondContact O-CB 3.36Å; A328-Y332 PolarHBondContact O-N 2.82Å
329	Y	80	Confident	82	Confident	162 Å²	162	97.1 Å²	97.1	64%	0.635	55%	0.547	S	S	*	.	H	α-helix	trans	-66.2	-43.4	173.9	-166.1	-94.7	0	0	0	111.4	V325 H327 I331 Y332 V333	V325-Y329 WeakPolarHBondContact O-CB 3.35Å; V325-Y329 PolarHBondContact O-N 3.43Å; H327-Y329 VanDerWaalsContact C-N 3.31Å; H327-Y329 PolarHBondContact O-N 3.27Å; Y329-I331 PolarHBondContact O-N 2.9Å; Y329-Y332 PolarHBondContact O-N 3.25Å; Y329-V333 HydrophobicContact CD1-CG2 3.79Å; Y329-V333 HydrophobicContact CE1-CG2 3.56Å; Y329-V333 WeakPolarHBondContact O-CB 3.32Å; Y329-V333 VanDerWaalsContact O-CG2 3.23Å; Y329-V333 WeakPolarHBondContact O-CG2 3.36Å; Y329-V333 PolarHBondContact O-N 2.84Å
330	G	83.4	Confident	82.1	Confident	32 Å²	32	95.4 Å²	95.4	33%	0.33	55%	0.551	S	S	.	*	H	α-helix	trans	-58.2	-45.9	173.7	0	0	0	0	0	112.6	G326 H327 V333 V334	G326-G330 PolarHBondContact O-N 3.15Å; H327-G330 PolarHBondContact O-N 2.81Å; G330-V333 PolarHBondContact O-N 3.47Å; G330-V334 WeakPolarHBondContact O-CB 3.11Å; G330-V334 VanDerWaalsContact O-CG2 3.25Å; G330-V334 WeakPolarHBondContact O-CG2 3.43Å; G330-V334 PolarHBondContact O-N 3.46Å
331	I	88.2	Confident	82.3	Confident	108 Å²	108	93.4 Å²	93.4	55%	0.554	54%	0.544	S	S	*	.	H	α-helix	trans	-62	-46.8	175	-68	163.8	0	0	0	110.3	H327 A328 Y329 V333 V334 C335	H327-I331 WeakPolarHBondContact O-CB 3.25Å; H327-I331 VanDerWaalsContact O-CG1 3.23Å; H327-I331 WeakPolarHBondContact O-CG1 3.23Å; H327-I331 PolarHBondContact O-N 2.9Å; A328-I331 PolarHBondContact O-N 3.26Å; Y329-I331 PolarHBondContact O-N 2.9Å; I331-V333 VanDerWaalsContact C-N 3.35Å; I331-V333 PolarHBondContact O-N 2.92Å; I331-V334 PolarHBondContact O-N 3.4Å; I331-C335 WeakPolarHBondContact O-CB 3.35Å; I331-C335 PolarHBondContact O-N 2.92Å; I331-C335 PolarHBondContact O-SG 2.88Å
332	Y	90.8	Very high	82.9	Confident	158 Å²	158	95.1 Å²	95.1	62%	0.62	55%	0.547	S	S	*	.	H	α-helix	trans	-58.8	-45.1	178	-175.8	-94.1	0	0	0	111.8	A328 Y329 C335 C336	A328-Y332 VanDerWaalsContact O-CB 3.27Å; A328-Y332 WeakPolarHBondContact O-CB 3.36Å; A328-Y332 PolarHBondContact O-N 2.82Å; Y329-Y332 PolarHBondContact O-N 3.25Å; Y332-C335 PolarHBondContact O-N 3.46Å; Y332-C336 WeakPolarHBondContact O-CB 3.4Å; Y332-C336 PolarHBondContact O-N 3.17Å; Y332-C336 PolarHBondContact O-SG 2.8Å; Y332-C336 VanDerWaalsContact O-SG 3.35Å
333	V	92.4	Very high	84.1	Confident	53 Å²	53	91.3 Å²	91.3	32%	0.321	53%	0.532	S	S	.	.	H	α-helix	trans	-63.1	-45.8	176.6	171.4	0	0	0	0	111.1	Y329 G330 I331 C335 C336 L337	Y329-V333 HydrophobicContact CD1-CG2 3.79Å; Y329-V333 HydrophobicContact CE1-CG2 3.56Å; Y329-V333 WeakPolarHBondContact O-CB 3.32Å; Y329-V333 VanDerWaalsContact O-CG2 3.23Å; Y329-V333 WeakPolarHBondContact O-CG2 3.36Å; Y329-V333 PolarHBondContact O-N 2.84Å; G330-V333 PolarHBondContact O-N 3.47Å; I331-V333 VanDerWaalsContact C-N 3.35Å; I331-V333 PolarHBondContact O-N 2.92Å; V333-C335 PolarHBondContact O-N 2.85Å; V333-C336 PolarHBondContact O-N 3.23Å; V333-L337 HydrophobicContact CG1-CD1 4.06Å; V333-L337 HydrophobicContact CG1-CG 4.4Å; V333-L337 WeakPolarHBondContact O-CG 3.25Å; V333-L337 PolarHBondContact O-N 3.34Å
334	V	93.8	Very high	85.7	Confident	97 Å²	97	91.7 Å²	91.7	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-44	177.1	171	0	0	0	0	111.1	G330 I331 C336 L337 A338	G330-V334 WeakPolarHBondContact O-CB 3.11Å; G330-V334 VanDerWaalsContact O-CG2 3.25Å; G330-V334 WeakPolarHBondContact O-CG2 3.43Å; G330-V334 PolarHBondContact O-N 3.46Å; I331-V334 PolarHBondContact O-N 3.4Å; V334-C336 PolarHBondContact O-N 2.82Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-A338 WeakPolarHBondContact O-CB 3.42Å; V334-A338 PolarHBondContact O-N 2.83Å
335	C	94.6	Very high	87.7	Confident	77 Å²	77	90.8 Å²	90.8	52%	0.52	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-42.2	175.3	-72.1	0	0	0	0	112.1	I331 Y332 V333 A338 L339	I331-C335 WeakPolarHBondContact O-CB 3.35Å; I331-C335 PolarHBondContact O-N 2.92Å; I331-C335 PolarHBondContact O-SG 2.88Å; Y332-C335 PolarHBondContact O-N 3.46Å; V333-C335 PolarHBondContact O-N 2.85Å; C335-A338 PolarHBondContact O-N 3.49Å; C335-L339 WeakPolarHBondContact O-CB 3.49Å; C335-L339 PolarHBondContact O-N 2.82Å
336	C	95.8	Very high	89.3	Confident	50 Å²	50	90.4 Å²	90.4	34%	0.338	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-44.7	175.4	-75	0	0	0	0	112.4	Y332 V333 V334 L339 V340	Y332-C336 WeakPolarHBondContact O-CB 3.4Å; Y332-C336 PolarHBondContact O-N 3.17Å; Y332-C336 PolarHBondContact O-SG 2.8Å; Y332-C336 VanDerWaalsContact O-SG 3.35Å; V333-C336 PolarHBondContact O-N 3.23Å; V334-C336 PolarHBondContact O-N 2.82Å; C336-L339 PolarHBondContact O-N 2.82Å; C336-V340 WeakPolarHBondContact O-CG2 2.98Å; C336-V340 PolarHBondContact O-N 2.92Å
337	L	95.8	Very high	90.8	Very high	119 Å²	119	89.8 Å²	89.8	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-64.5	-40.9	178	-70.4	175.6	0	0	0	111.9	V333 V334 L339 V340 G341	V333-L337 HydrophobicContact CG1-CD1 4.06Å; V333-L337 HydrophobicContact CG1-CG 4.4Å; V333-L337 WeakPolarHBondContact O-CG 3.25Å; V333-L337 PolarHBondContact O-N 3.34Å; V334-L337 PolarHBondContact O-N 3.25Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.19Å; L337-V340 PolarHBondContact O-N 3.41Å; L337-G341 PolarHBondContact O-N 2.86Å
338	A	96.1	Very high	92	Very high	64 Å²	64	87 Å²	87	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-41.8	174.7	0	0	0	0	0	111.7	V334 C335 G341 L342	V334-A338 WeakPolarHBondContact O-CB 3.42Å; V334-A338 PolarHBondContact O-N 2.83Å; C335-A338 PolarHBondContact O-N 3.49Å; A338-G341 PolarHBondContact O-N 3.37Å; A338-L342 WeakPolarHBondContact O-CB 3.03Å; A338-L342 PolarHBondContact O-N 3.05Å
339	L	96.3	Very high	92.8	Very high	106 Å²	106	88.1 Å²	88.1	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-62.9	-45.5	175.8	-175.8	67.4	0	0	0	111.7	C335 C336 L337 L342 L343	C335-L339 WeakPolarHBondContact O-CB 3.49Å; C335-L339 PolarHBondContact O-N 2.82Å; C336-L339 PolarHBondContact O-N 2.82Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.19Å; L339-L342 PolarHBondContact O-N 2.84Å; L339-L343 HydrophobicContact CG-CD1 4.31Å; L339-L343 VanDerWaalsContact O-CG 3.32Å; L339-L343 WeakPolarHBondContact O-CG 3.32Å; L339-L343 PolarHBondContact O-N 3.19Å
340	V	96.2	Very high	93.2	Very high	94 Å²	94	87.1 Å²	87.1	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-44.3	176.5	172.2	0	0	0	0	111	C336 L337 L342 L343 A344	C336-V340 WeakPolarHBondContact O-CG2 2.98Å; C336-V340 PolarHBondContact O-N 2.92Å; L337-V340 PolarHBondContact O-N 3.41Å; V340-L342 VanDerWaalsContact C-N 3.34Å; V340-L342 PolarHBondContact O-N 3.3Å; V340-L343 PolarHBondContact O-N 3.11Å; V340-A344 WeakPolarHBondContact O-CB 3.48Å; V340-A344 PolarHBondContact O-N 3.09Å
341	G	95.8	Very high	93.4	Very high	35 Å²	35	92.4 Å²	92.4	36%	0.361	53%	0.526	S	S	.	.	H	α-helix	trans	-60.9	-41.2	176.2	0	0	0	0	0	112.7	L337 A338 A344 L345	L337-G341 PolarHBondContact O-N 2.86Å; A338-G341 PolarHBondContact O-N 3.37Å; G341-A344 PolarHBondContact O-N 3Å; G341-L345 WeakPolarHBondContact O-CB 3.42Å; G341-L345 WeakPolarHBondContact O-CG 3.38Å; G341-L345 PolarHBondContact O-N 2Å
342	L	96.5	Very high	93.4	Very high	103 Å²	103	90.8 Å²	90.8	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-67.8	-41.1	178.1	-164.5	139.7	0	0	0	111.8	A338 L339 V340 L345 L346	A338-L342 WeakPolarHBondContact O-CB 3.03Å; A338-L342 PolarHBondContact O-N 3.05Å; L339-L342 PolarHBondContact O-N 2.84Å; V340-L342 VanDerWaalsContact C-N 3.34Å; V340-L342 PolarHBondContact O-N 3.3Å; L342-L345 PolarHBondContact O-N 2.71Å; L342-L346 HydrophobicContact CD2-CD1 3.78Å; L342-L346 HydrophobicContact CD2-CG 4.41Å; L342-L346 WeakPolarHBondContact O-CG 3.22Å; L342-L346 PolarHBondContact O-N 3.34Å
343	L	95.9	Very high	93.1	Very high	104 Å²	104	86.4 Å²	86.4	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-40.6	173.3	-70.1	173.1	0	0	0	112.2	L339 V340 L346 G347	L339-L343 HydrophobicContact CG-CD1 4.31Å; L339-L343 VanDerWaalsContact O-CG 3.32Å; L339-L343 WeakPolarHBondContact O-CG 3.32Å; L339-L343 PolarHBondContact O-N 3.19Å; V340-L343 PolarHBondContact O-N 3.11Å; L343-L346 PolarHBondContact O-N 2.98Å; L343-G347 PolarHBondContact O-N 3Å
344	A	94.9	Very high	92.5	Very high	56 Å²	56	90.5 Å²	90.5	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-42.6	175.8	0	0	0	0	0	111.8	V340 G341 G347 C348	V340-A344 WeakPolarHBondContact O-CB 3.48Å; V340-A344 PolarHBondContact O-N 3.09Å; G341-A344 PolarHBondContact O-N 3Å; A344-G347 PolarHBondContact O-N 2.98Å; A344-C348 PolarHBondContact O-N 2.96Å; A344-C348 PolarHBondContact O-SG 2.88Å; A344-C348 VanDerWaalsContact O-SG 3.37Å
345	L	94.5	Very high	91.2	Very high	120 Å²	120	93.2 Å²	93.2	63%	0.628	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-45.2	174.8	-77	172.3	0	0	0	112	G341 L342 G347 C348 V349	G341-L345 WeakPolarHBondContact O-CB 3.42Å; G341-L345 WeakPolarHBondContact O-CG 3.38Å; G341-L345 PolarHBondContact O-N 2Å; L342-L345 PolarHBondContact O-N 2.71Å; L345-G347 VanDerWaalsContact C-N 3.29Å; L345-G347 PolarHBondContact O-N 2.68Å; L345-C348 PolarHBondContact O-N 3.31Å; L345-V349 WeakPolarHBondContact O-CG2 3.49Å; L345-V349 PolarHBondContact O-N 3.26Å
346	L	93.3	Very high	89.9	Confident	105 Å²	105	95 Å²	95	55%	0.55	53%	0.53	S	S	.	.	H	α-helix	trans	-58.5	-41.9	173.9	-73.6	171.2	0	0	0	111.5	L342 L343 V349 F350	L342-L346 HydrophobicContact CD2-CD1 3.78Å; L342-L346 HydrophobicContact CD2-CG 4.41Å; L342-L346 WeakPolarHBondContact O-CG 3.22Å; L342-L346 PolarHBondContact O-N 3.34Å; L343-L346 PolarHBondContact O-N 2.98Å; L346-V349 PolarHBondContact O-N 3.21Å; L346-F350 WeakPolarHBondContact O-CB 3.26Å; L346-F350 PolarHBondContact O-N 3.36Å
347	G	92.5	Very high	88.4	Confident	41 Å²	41	96.8 Å²	96.8	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-44.5	173.7	0	0	0	0	0	113.4	L343 A344 L345 F350 F351	L343-G347 PolarHBondContact O-N 3Å; A344-G347 PolarHBondContact O-N 2.98Å; L345-G347 VanDerWaalsContact C-N 3.29Å; L345-G347 PolarHBondContact O-N 2.68Å; G347-F350 PolarHBondContact O-N 3.37Å; G347-F351 WeakPolarHBondContact O-CB 3.49Å; G347-F351 PolarHBondContact O-N 3.37Å
348	C	91.5	Very high	86.9	Confident	84 Å²	84	97.5 Å²	97.5	57%	0.568	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-43.7	176.7	-73.4	0	0	0	0	112.3	A344 L345 F350 F351 A352	A344-C348 PolarHBondContact O-N 2.96Å; A344-C348 PolarHBondContact O-SG 2.88Å; A344-C348 VanDerWaalsContact O-SG 3.37Å; L345-C348 PolarHBondContact O-N 3.31Å; C348-F350 VanDerWaalsContact C-N 3.33Å; C348-F350 PolarHBondContact O-N 2.8Å; C348-F351 PolarHBondContact O-N 3.48Å; C348-A352 WeakPolarHBondContact O-CB 3.37Å; C348-A352 PolarHBondContact O-N 3.2Å
349	V	91.2	Very high	85.2	Confident	83 Å²	83	97.7 Å²	97.7	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-60.9	-44.3	175.5	171	0	0	0	0	110.4	L345 L346 F351 N353	L345-V349 WeakPolarHBondContact O-CG2 3.49Å; L345-V349 PolarHBondContact O-N 3.26Å; L346-V349 PolarHBondContact O-N 3.21Å; V349-F351 PolarHBondContact O-N 3.02Å; V349-N353 VanDerWaalsContact O-CB 3.24Å; V349-N353 WeakPolarHBondContact O-CB 3.24Å; V349-N353 PolarHBondContact O-N 3.13Å; V349-N353 PolarHBondContact O-ND2 3.46Å
350	F	88.3	Confident	83.3	Confident	140 Å²	140	95 Å²	95	61%	0.614	52%	0.52	S	S	*	.	H	α-helix	trans	-61.3	-42.3	175.5	-174.2	-93.6	0	0	0	112.2	L346 G347 C348 N353 R354 I357	L346-F350 WeakPolarHBondContact O-CB 3.26Å; L346-F350 PolarHBondContact O-N 3.36Å; G347-F350 PolarHBondContact O-N 3.37Å; C348-F350 VanDerWaalsContact C-N 3.33Å; C348-F350 PolarHBondContact O-N 2.8Å; F350-N353 CarbonylContact O-C 3.54Å; F350-R354 PolarHBondContact O-N 3.4Å; F350-I357 HydrophobicContact CD2-CD1 4.12Å; F350-I357 HydrophobicContact CE2-CD1 4.23Å
351	F	87.9	Confident	81.3	Confident	144 Å²	144	93.5 Å²	93.5	63%	0.632	52%	0.518	S	S	*	.	H	α-helix	trans	-69	-47.7	178.6	-173.2	-90.7	0	0	0	112.9	G347 C348 V349 N353 R354	G347-F351 WeakPolarHBondContact O-CB 3.49Å; G347-F351 PolarHBondContact O-N 3.37Å; C348-F351 PolarHBondContact O-N 3.48Å; V349-F351 PolarHBondContact O-N 3.02Å; F351-N353 VanDerWaalsContact C-N 3.3Å; F351-N353 PolarHBondContact O-N 2.78Å; F351-R354 WeakPolarHBondContact O-CB 3.28Å; F351-R354 PolarHBondContact O-N 3.27Å
352	A	86.6	Confident	79.4	Confident	74 Å²	74	96 Å²	96	61%	0.612	53%	0.529	S	S	*	.	H	α-helix	trans	-62	-40.6	178.4	0	0	0	0	0	111.2	C348 R354	C348-A352 WeakPolarHBondContact O-CB 3.37Å; C348-A352 PolarHBondContact O-N 3.2Å; A352-R354 VanDerWaalsContact C-N 3.25Å; A352-R354 PolarHBondContact O-N 3.49Å
353	N	84.6	Confident	77.2	Confident	66 Å²	66	99.9 Å²	99.9	35%	0.353	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	2.3	175	-68	-35.9	0	0	0	113.2	V349 F350 F351 Y355 L356 I357	V349-N353 VanDerWaalsContact O-CB 3.24Å; V349-N353 WeakPolarHBondContact O-CB 3.24Å; V349-N353 PolarHBondContact O-N 3.13Å; V349-N353 PolarHBondContact O-ND2 3.46Å; F350-N353 CarbonylContact O-C 3.54Å; F351-N353 VanDerWaalsContact C-N 3.3Å; F351-N353 PolarHBondContact O-N 2.78Å; N353-Y355 PolarHBondContact O-N 2.75Å; N353-L356 CarbonylContact O-C 3.59Å; N353-L356 WeakPolarHBondContact O-CA 3.18Å; N353-L356 PolarHBondContact O-N 3.01Å; N353-I357 HydrophobicContact CB-CD1 4.01Å; N353-I357 HydrophobicContact CB-CG1 4.25Å; N353-I357 WeakPolarHBondContact O-CB 3.29Å; N353-I357 VanDerWaalsContact O-CG1 3.27Å; N353-I357 WeakPolarHBondContact O-CG1 3.41Å; N353-I357 PolarHBondContact O-N 2.89Å
354	R	79.8	Confident	75.2	Confident	138 Å²	138	101.3 Å²	101.3	52%	0.521	54%	0.544	S	S	.	.	H	α-helix	trans	-54	-44.1	179	-178.3	-179	166.9	-178	-2.9	110.8	F350 F351 A352 L356 I357 F358	F350-R354 PolarHBondContact O-N 3.4Å; F351-R354 WeakPolarHBondContact O-CB 3.28Å; F351-R354 PolarHBondContact O-N 3.27Å; A352-R354 VanDerWaalsContact C-N 3.25Å; A352-R354 PolarHBondContact O-N 3.49Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-L356 PolarHBondContact O-N 3.08Å; R354-I357 PolarHBondContact O-N 3.07Å; R354-F358 HydrophobicContact CG-CD2 3.6Å; R354-F358 HydrophobicContact CG-CE2 3.85Å; R354-F358 VanDerWaalsContact O-CB 3.24Å; R354-F358 WeakPolarHBondContact O-CB 3.02Å; R354-F358 VanDerWaalsContact O-CD2 3.29Å; R354-F358 WeakPolarHBondContact O-CD2 3.02Å; R354-F358 PolarHBondContact O-N 3.48Å
355	Y	68.2	Low	73	Confident	155 Å²	155	103.8 Å²	103.8	61%	0.608	56%	0.555	S	S	*	*	H	α-helix	trans	-66.6	-34.9	177.7	-169.8	-105.9	0	0	0	112.1	N353 K359	N353-Y355 PolarHBondContact O-N 2.75Å; Y355-K359 HydrophobicContact CD1-CD 4.08Å; Y355-K359 HydrophobicContact CE1-CD 3.43Å; Y355-K359 VanDerWaalsContact CE1-CD 3.43Å; Y355-K359 VanDerWaalsContact CE1-NZ 3.35Å; Y355-K359 WeakPolarHBondContact O-CA 3.46Å; Y355-K359 WeakPolarHBondContact O-CB 3.43Å; Y355-K359 PolarHBondContact O-N 2.03Å; Y355-K359 VanDerWaalsContact OH-CE 3.26Å; Y355-K359 WeakPolarHBondContact OH-CE 3.45Å; Y355-K359 PolarHBondContact OH-NZ 3.3Å
356	L	67.4	Low	71.2	Confident	115 Å²	115	104.2 Å²	104.2	60%	0.602	56%	0.563	S	S	*	*	H	α-helix	trans	-76	-36.1	176.2	-72.6	169	0	0	0	112.9	N353 R354 G360	N353-L356 CarbonylContact O-C 3.59Å; N353-L356 WeakPolarHBondContact O-CA 3.18Å; N353-L356 PolarHBondContact O-N 3.01Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-L356 PolarHBondContact O-N 3.08Å; L356-G360 WeakPolarHBondContact O-CA 3.37Å; L356-G360 PolarHBondContact O-N 3.21Å
357	I	64.3	Low	69.2	Low	86 Å²	86	107.3 Å²	107.3	44%	0.441	58%	0.579	S	S	.	*	H	α-helix	trans	-67.2	-46.1	174	-63.7	164.4	0	0	0	109.3	F350 N353 R354 A361	F350-I357 HydrophobicContact CD2-CD1 4.12Å; F350-I357 HydrophobicContact CE2-CD1 4.23Å; N353-I357 HydrophobicContact CB-CD1 4.01Å; N353-I357 HydrophobicContact CB-CG1 4.25Å; N353-I357 WeakPolarHBondContact O-CB 3.29Å; N353-I357 VanDerWaalsContact O-CG1 3.27Å; N353-I357 WeakPolarHBondContact O-CG1 3.41Å; N353-I357 PolarHBondContact O-N 2.89Å; R354-I357 PolarHBondContact O-N 3.07Å; I357-A361 PolarHBondContact O-N 3.01Å
358	F	63.4	Low	67.3	Low	135 Å²	135	114.6 Å²	114.6	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-71.6	-35.5	175.5	-88.9	-89.9	0	0	0	113.2	R354 A361 S362	R354-F358 HydrophobicContact CG-CD2 3.6Å; R354-F358 HydrophobicContact CG-CE2 3.85Å; R354-F358 VanDerWaalsContact O-CB 3.24Å; R354-F358 WeakPolarHBondContact O-CB 3.02Å; R354-F358 VanDerWaalsContact O-CD2 3.29Å; R354-F358 WeakPolarHBondContact O-CD2 3.02Å; R354-F358 PolarHBondContact O-N 3.48Å; F358-A361 CarbonylContact O-C 3.52Å; F358-A361 WeakPolarHBondContact O-CB 3.2Å; F358-A361 PolarHBondContact O-N 3.26Å; F358-S362 PolarHBondContact O-N 3.27Å
359	K	60.5	Low	65.6	Low	68 Å²	68	119 Å²	119	30%	0.296	61%	0.608	S	S	.	*	H	α-helix	trans	-81.6	-22.6	177.9	-157.3	-177.1	-154.2	173.9	0	112.3	Y355 S362 R363	Y355-K359 HydrophobicContact CD1-CD 4.08Å; Y355-K359 HydrophobicContact CE1-CD 3.43Å; Y355-K359 VanDerWaalsContact CE1-CD 3.43Å; Y355-K359 VanDerWaalsContact CE1-NZ 3.35Å; Y355-K359 WeakPolarHBondContact O-CA 3.46Å; Y355-K359 WeakPolarHBondContact O-CB 3.43Å; Y355-K359 PolarHBondContact O-N 2.03Å; Y355-K359 VanDerWaalsContact OH-CE 3.26Å; Y355-K359 WeakPolarHBondContact OH-CE 3.45Å; Y355-K359 PolarHBondContact OH-NZ 3.3Å; K359-S362 WeakPolarHBondContact CA-OG 3.36Å; K359-S362 CarbonylContact O-C 3.57Å; K359-S362 PolarHBondContact O-N 3.27Å; K359-R363 HydrophobicContact CG-CG 4.42Å; K359-R363 WeakPolarHBondContact O-CA 3.28Å; K359-R363 WeakPolarHBondContact O-CB 3.22Å; K359-R363 VanDerWaalsContact O-CG 3.24Å; K359-R363 WeakPolarHBondContact O-CG 3.46Å; K359-R363 PolarHBondContact O-N 2.87Å
360	G	55.7	Low	63.9	Low	48 Å²	48	119.9 Å²	119.9	50%	0.495	62%	0.618	S	S	.	*	H	α-helix	trans	-67.4	-39.7	164.1	0	0	0	0	0	110.8	L356	L356-G360 WeakPolarHBondContact O-CA 3.37Å; L356-G360 PolarHBondContact O-N 3.21Å
361	A	54.1	Low	62.4	Low	64 Å²	64	119.8 Å²	119.8	53%	0.529	62%	0.623	S	S	.	*	H	α-helix	trans	-67.1	-34.1	169.4	0	0	0	0	0	112.9	I357 F358	I357-A361 PolarHBondContact O-N 3.01Å; F358-A361 CarbonylContact O-C 3.52Å; F358-A361 WeakPolarHBondContact O-CB 3.2Å; F358-A361 PolarHBondContact O-N 3.26Å
362	S	57.2	Low	60.6	Low	86 Å²	86	122.4 Å²	122.4	60%	0.601	63%	0.631	S	S	*	*	H	α-helix	trans	-91.5	-6.9	179	78.5	0	0	0	0	115.5	F358 K359 I364	F358-S362 PolarHBondContact O-N 3.27Å; K359-S362 WeakPolarHBondContact CA-OG 3.36Å; K359-S362 CarbonylContact O-C 3.57Å; K359-S362 PolarHBondContact O-N 3.27Å; S362-I364 VanDerWaalsContact C-N 3.27Å
363	R	49.2	Very low	59	Low	186 Å²	186	127.5 Å²	127.5	70%	0.702	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	16.3	170.4	-85.4	-174.7	179.8	-174.2	1.3	112.9	K359 P365	K359-R363 HydrophobicContact CG-CG 4.42Å; K359-R363 WeakPolarHBondContact O-CA 3.28Å; K359-R363 WeakPolarHBondContact O-CB 3.22Å; K359-R363 VanDerWaalsContact O-CG 3.24Å; K359-R363 WeakPolarHBondContact O-CG 3.46Å; K359-R363 PolarHBondContact O-N 2.87Å; R363-P365 VanDerWaalsContact C-N 3.34Å; R363-P365 WeakPolarHBondContact O-CD 3.4Å; R363-P365 WeakPolarHBondContact O-CG 3.31Å
364	I	54.2	Low	57.6	Low	134 Å²	134	130.1 Å²	130.1	69%	0.687	66%	0.662	S	S	*	*	S	Bend	trans	-64.8	101.9	153.1	-57.1	170.2	0	0	0	104.7	S362 T366	S362-I364 VanDerWaalsContact C-N 3.27Å; I364-T366 PolarHBondContact O-N 3.21Å
365	P	49.8	Very low	56.4	Low	108 Å²	108	131.7 Å²	131.7	70%	0.701	68%	0.68	S	S	*	*			trans	-67.2	125.6	-173	-11.2	28.9	0	0	0	107.5	R363 L367	R363-P365 VanDerWaalsContact C-N 3.34Å; R363-P365 WeakPolarHBondContact O-CD 3.4Å; R363-P365 WeakPolarHBondContact O-CG 3.31Å; P365-L367 PolarHBondContact O-N 3.34Å; P365-L367 VanDerWaalsContact O-N 3.07Å
366	T	54.8	Low	55.8	Low	128 Å²	128	134 Å²	134	79%	0.785	69%	0.694	S	S	*	*			trans	-62	108.9	164.9	37.2	0	0	0	0	107.7	I364 R368	I364-T366 PolarHBondContact O-N 3.21Å; T366-R368 PolarHBondContact O-N 3.37Å; T366-R368 VanDerWaalsContact O-N 3.12Å
367	L	52.5	Low	55	Low	170 Å²	170	136.9 Å²	136.9	89%	0.89	70%	0.704	S	S	*	*			trans	-46.3	116.2	174.2	-77.2	132.3	0	0	0	109.6	P365	P365-L367 PolarHBondContact O-N 3.34Å; P365-L367 VanDerWaalsContact O-N 3.07Å
368	R	52.2	Low	54.4	Low	195 Å²	195	138.6 Å²	138.6	74%	0.736	72%	0.721	S	S	*	*			trans	-90.5	136.8	172.4	-81.8	-172.4	-177.3	-179.9	1.3	109.5	T366 S370 D371	T366-R368 PolarHBondContact O-N 3.37Å; T366-R368 VanDerWaalsContact O-N 3.12Å; R368-S370 PolarHBondContact O-N 2.81Å; R368-D371 PolarHBondContact O-N 3.01Å
369	M	56.8	Low	54.1	Low	177 Å²	177	138.8 Å²	138.8	87%	0.872	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-63	-7.4	-172.7	-149.8	163.5	153.4	0	0	115
370	S	54.7	Low	53.9	Low	101 Å²	101	139.8 Å²	139.8	71%	0.706	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-82.2	-9.3	177.9	55	0	0	0	0	114.7	R368 Y372	R368-S370 PolarHBondContact O-N 2.81Å; S370-Y372 PolarHBondContact O-N 2.7Å
371	D	55.9	Low	53.5	Low	137 Å²	137	145.8 Å²	145.8	73%	0.733	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-79.1	0.9	174.4	-66.9	-24.6	0	0	0	113	R368 Q373	R368-D371 PolarHBondContact O-N 3.01Å; D371-Q373 PolarHBondContact O-N 3.18Å
372	Y	51	Low	53.5	Low	199 Å²	199	148.6 Å²	148.6	78%	0.78	78%	0.782	S	S	*	*			trans	-83.7	103	171.9	-85.7	-90.2	0	0	0	110.7	S370	S370-Y372 PolarHBondContact O-N 2.7Å
373	Q	54	Low	53.3	Low	181 Å²	181	151.1 Å²	151.1	85%	0.846	79%	0.793	S	S	*	*			trans	-75.2	135.9	149.6	-77.7	-159.6	-39.1	0	0	109	D371	D371-Q373 PolarHBondContact O-N 3.18Å
374	P	54.2	Low	53.5	Low	121 Å²	121	150.7 Å²	150.7	79%	0.786	80%	0.801	S	S	*	*			trans	-61.5	139.1	176.3	23	-30.7	0	0	0	111.2	K376	P374-K376 PolarHBondContact O-N 3.03Å; P374-K376 VanDerWaalsContact O-N 3.14Å
375	L	54.8	Low	53.5	Low	172 Å²	172	154.5 Å²	154.5	90%	0.901	83%	0.831	S	S	*	*			trans	-47	115.9	173.1	-77.2	151	0	0	0	109.9	E377	L375-E377 PolarHBondContact O-N 3.49Å
376	K	55.9	Low	53.7	Low	204 Å²	204	156.9 Å²	156.9	89%	0.887	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-68.2	116.8	165.9	-146.2	175.7	-173.2	-177.8	0	106.6	P374	P374-K376 PolarHBondContact O-N 3.03Å; P374-K376 VanDerWaalsContact O-N 3.14Å
377	E	50.6	Low	53.7	Low	174 Å²	174	158.4 Å²	158.4	81%	0.813	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-52.4	139.7	179.3	-75.7	176.5	161.6	0	0	111	L375 T379	L375-E377 PolarHBondContact O-N 3.49Å; E377-T379 PolarHBondContact O-N 3.05Å; E377-T379 VanDerWaalsContact O-N 3.17Å
378	P	51.6	Low	53.7	Low	123 Å²	123	157.7 Å²	157.7	80%	0.799	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-63.2	118.8	175.7	24.9	-30.8	0	0	0	109	A380	P378-A380 VanDerWaalsContact C-N 3.29Å; P378-A380 PolarHBondContact O-N 2.66Å
379	T	56.2	Low	53.8	Low	139 Å²	139	155.5 Å²	155.5	85%	0.853	84%	0.843	S	S	*	*			trans	-62.6	98	157.9	45.1	0	0	0	0	107.1	E377 E381	E377-T379 PolarHBondContact O-N 3.05Å; E377-T379 VanDerWaalsContact O-N 3.17Å; T379-E381 PolarHBondContact O-N 2.99Å
380	A	56	Low	53.7	Low	88 Å²	88	154.2 Å²	154.2	73%	0.727	84%	0.841	S	S	*	*			trans	-61.3	123.4	167.9	0	0	0	0	0	108.5	P378	P378-A380 VanDerWaalsContact C-N 3.29Å; P378-A380 PolarHBondContact O-N 2.66Å
381	E	47.2	Very low	53.6	Low	175 Å²	175	157.7 Å²	157.7	82%	0.818	85%	0.85	S	S	*	*			trans	-56.5	138.3	158.6	-70.1	177.9	157.8	0	0	108.8	T379 V383	T379-E381 PolarHBondContact O-N 2.99Å; E381-V383 PolarHBondContact O-N 2.85Å; E381-V383 VanDerWaalsContact O-N 3.17Å
382	P	55.9	Low	53.4	Low	123 Å²	123	159.2 Å²	159.2	80%	0.799	86%	0.858	S	S	*	*			trans	-70.1	112	167.1	27.7	-29.9	0	0	0	108.7	M384	P382-M384 PolarHBondContact O-N 3.19Å
383	V	51.2	Low	53.6	Low	138 Å²	138	156.2 Å²	156.2	84%	0.836	87%	0.865	S	S	*	*			trans	-64.6	110.7	157.2	177	0	0	0	0	106.6	E381	E381-V383 PolarHBondContact O-N 2.85Å; E381-V383 VanDerWaalsContact O-N 3.17Å
384	M	53.9	Low	53.6	Low	177 Å²	177	154.1 Å²	154.1	87%	0.872	87%	0.866	S	S	*	*			trans	-70.4	136	159.1	-84	-150	-71	0	0	108.8	P382	P382-M384 PolarHBondContact O-N 3.19Å
385	V	55.6	Low	53.5	Low	215 Å²	215	157.1 Å²	157.1	100%	1.303	87%	0.873	S	S	*	*			trans	-37.6	0	178.3	-180	0	0	0	0	114.5

Retrieved 385 of 385 residues in 977 ms (Link to these results)

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