A0A096N3F3_PAPAN Loading...

C-terminal-binding protein 1

Corepressor targeting diverse transcription regulators such as GLIS2 or BCL6. Has dehydrogenase activity. Involved in controlling the equilibrium between tubular and stacked structures in the Golgi complex. Functions in brown adipose tissue (BAT) differentiation.

AlphaFold DB (A0A5F8AIY0), UniProt , Accession A0A096N3F3, Species PAPAN (Papio anubis, Olive baboon), Gene CTBP1, Length 429 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	46.9	Very low	245 Å²	245	102.3 Å²	102.3	100%	1.207	62%	0.621	S	S	*	*				0	119.3	0	-73.5	172.1	170.6	0	0	107.1	G3	M1-G3 PolarHBondContact O-N 2.62Å
2	S	39.4	Very low	46.8	Very low	116 Å²	116	105.3 Å²	105.3	81%	0.811	64%	0.644	S	S	*	*			trans	-73.5	104.8	-177.2	36.4	0	0	0	0	110.5	V4	S2-V4 VanDerWaalsContact C-N 3.33Å; S2-V4 PolarHBondContact O-N 2.75Å
3	G	38.2	Very low	47.5	Very low	80 Å²	80	101.7 Å²	101.7	83%	0.825	62%	0.618	S	S	*	*			trans	-73.8	82.1	177.5	0	0	0	0	0	111.6	M1 R5	M1-G3 PolarHBondContact O-N 2.62Å; G3-R5 PolarHBondContact O-N 3.23Å
4	V	44.9	Very low	48.1	Very low	105 Å²	105	105.8 Å²	105.8	64%	0.636	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-62.9	117	165.9	-179.7	0	0	0	0	107.4	S2	S2-V4 VanDerWaalsContact C-N 3.33Å; S2-V4 PolarHBondContact O-N 2.75Å
5	R	48.8	Very low	49.4	Very low	71 Å²	71	107.1 Å²	107.1	27%	0.268	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-61.9	133.9	178.9	-149	169.1	175.9	-143.4	-2.8	108.1	G3 F78 K79 L81 L102	G3-R5 PolarHBondContact O-N 3.23Å; R5-F78 PolarHBondContact NH2-O 3.22Å; R5-K79 PolarHBondContact NE-O 2.65Å; R5-K79 PolarHBondContact NH2-O 3.23Å; R5-L81 PolarHBondContact NH1-O 3.25Å; R5-L81 VanDerWaalsContact NH1-O 3.15Å; R5-L81 VanDerWaalsContact NH2-N 3.15Å; R5-L81 PolarHBondContact NH2-O 2.84Å; R5-L102 PolarHBondContact NH1-O 3.14Å
6	P	45	Very low	51.7	Low	94 Å²	94	109.9 Å²	109.9	61%	0.61	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-59.3	145.2	-179.2	23.2	-32.7	0	0	0	110.5
7	P	52.6	Low	54.3	Low	85 Å²	85	103.9 Å²	103.9	55%	0.552	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-57.9	150.8	-178.7	24.8	-34.5	0	0	0	111	M9	P7-M9 PolarHBondContact O-N 2.7Å
8	I	56.2	Low	56.7	Low	41 Å²	41	99.3 Å²	99.3	21%	0.21	57%	0.573	C	S	.	*			trans	-41.7	104.4	-174.9	-61.1	178.9	0	0	0	110.9	N10 I332	I8-N10 PolarHBondContact O-N 2.87Å; I8-N10 PolarHBondContact O-ND2 3.46Å; I8-I332 HydrophobicContact CD1-CG2 4.01Å
9	M	51.1	Low	58.9	Low	145 Å²	145	94.1 Å²	94.1	71%	0.714	54%	0.543	S	S	*	.			trans	-68.1	105.8	-176.7	-72.8	-173.4	72	0	0	110.1	P7 G11 R82	P7-M9 PolarHBondContact O-N 2.7Å; M9-G11 PolarHBondContact O-N 3.04Å; M9-R82 PolarHBondContact O-NH1 3.49Å
10	N	55.8	Low	60.9	Low	97 Å²	97	89.4 Å²	89.4	52%	0.519	52%	0.516	S	S	.	.			trans	-84.8	98	173	-64.6	-51.9	0	0	0	108.4	I8	I8-N10 PolarHBondContact O-N 2.87Å; I8-N10 PolarHBondContact O-ND2 3.46Å
11	G	48.7	Very low	62.7	Low	46 Å²	46	85.2 Å²	85.2	47%	0.474	49%	0.492	S	S	.	.	S	Bend	trans	-169.6	168.9	-178.7	0	0	0	0	0	110.6	M9 L13	M9-G11 PolarHBondContact O-N 3.04Å; G11-L13 PolarHBondContact O-N 3.39Å
12	P	46.3	Very low	65.8	Low	139 Å²	139	73.5 Å²	73.5	90%	0.903	43%	0.434	S	S	*	.			trans	-60.4	121.2	179.7	25.1	-33.2	0	0	0	110.3
13	L	55.5	Low	68.6	Low	58 Å²	58	68.6 Å²	68.6	30%	0.304	40%	0.399	S	S	.	.			trans	-64.3	161.4	174.9	-75.4	156.5	0	0	0	110.6	G11 P17 V60 I328	G11-L13 PolarHBondContact O-N 3.39Å; L13-P17 HydrophobicContact CB-CB 4.49Å; L13-P17 HydrophobicContact CB-CG 4.42Å; L13-P17 HydrophobicContact CD1-CG 4.23Å; L13-P17 HydrophobicContact CD2-CB 4.48Å; L13-V60 HydrophobicContact CD2-CG1 3.93Å; L13-V60 HydrophobicContact CD2-CG2 4.21Å; L13-I328 HydrophobicContact CD1-CG2 4.05Å
14	H	56.3	Low	71.4	Confident	159 Å²	159	65.2 Å²	65.2	74%	0.736	36%	0.364	S	S	*	.			trans	-45.6	142.5	165.5	-124.6	-98.4	0	0	0	109.5	R16 P17	H14-R16 CarbonylContact O-C 3.57Å; H14-R16 WeakPolarHBondContact O-CA 3.5Å; H14-R16 PolarHBondContact O-N 3.33Å; H14-P17 VanDerWaalsContact O-CD 3.29Å; H14-P17 WeakPolarHBondContact O-CD 3.47Å
15	P	66.8	Low	73.9	Confident	125 Å²	125	68.5 Å²	68.5	81%	0.812	37%	0.365	S	S	*	.	S	Bend	trans	-54.2	-19.9	-164.3	14.1	-30	0	0	0	116.2
16	R	87.4	Confident	76.2	Confident	153 Å²	153	68.3 Å²	68.3	58%	0.577	37%	0.37	S	S	*	.	S	Bend	trans	-141.2	104.9	155.6	-65.6	-171.7	179.8	161.2	0.8	110.3	H14 T39	H14-R16 CarbonylContact O-C 3.57Å; H14-R16 WeakPolarHBondContact O-CA 3.5Å; H14-R16 PolarHBondContact O-N 3.33Å; R16-T39 WeakPolarHBondContact CB-OG1 3.48Å
17	P	95.5	Very high	78.7	Confident	7 Å²	7	64.6 Å²	64.6	5%	0.045	35%	0.345	C	S	.	.			trans	-60.2	150.5	173.7	27.1	-37.6	0	0	0	111.8	L13 H14 V37 A38 T39 V60 I328	L13-P17 HydrophobicContact CB-CB 4.49Å; L13-P17 HydrophobicContact CB-CG 4.42Å; L13-P17 HydrophobicContact CD1-CG 4.23Å; L13-P17 HydrophobicContact CD2-CB 4.48Å; H14-P17 VanDerWaalsContact O-CD 3.29Å; H14-P17 WeakPolarHBondContact O-CD 3.47Å; P17-V37 VanDerWaalsContact CD-O 3.28Å; P17-V37 WeakPolarHBondContact CD-O 3.26Å; P17-V37 WeakPolarHBondContact CG-O 3.26Å; P17-A38 HydrophobicContact CG-CB 4.44Å; P17-A38 WeakPolarHBondContact O-CA 3.36Å; P17-T39 PolarHBondContact O-N 2.93Å; P17-V60 HydrophobicContact CB-CB 4.01Å; P17-V60 HydrophobicContact CB-CG1 4.47Å; P17-V60 HydrophobicContact CB-CG2 3.84Å; P17-I328 HydrophobicContact CG-CD1 4.06Å; P17-I328 HydrophobicContact CG-CG1 4.38Å; P17-I328 HydrophobicContact CG-CG2 4.08Å
18	L	97.9	Very high	80.9	Confident	22 Å²	22	65.2 Å²	65.2	12%	0.115	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.7	174.6	177.7	62.9	0	0	0	110.6	T39 A41 V55 E58 A59 V60 G61	L18-T39 WeakPolarHBondContact CA-O 3.43Å; L18-A41 HydrophobicContact CD1-CB 3.97Å; L18-V55 HydrophobicContact CD2-CG2 4.35Å; L18-E58 HydrophobicContact CD2-CB 4.12Å; L18-A59 HydrophobicContact CD2-CB 4.22Å; L18-A59 HydrophobicContact CG-CB 4.27Å; L18-V60 PolarHBondContact O-N 2.95Å; L18-G61 PolarHBondContact O-N 3.05Å
19	V	98.6	Very high	82.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128	168.8	175.8	0	0	0	0	108.1	L34 A38 T39 V40 A41 G61 L63 I324 I328	V19-L34 HydrophobicContact CG1-CD1 4.29Å; V19-A38 HydrophobicContact CG2-CB 3.78Å; V19-T39 PolarHBondContact N-O 2.8Å; V19-V40 CarbonylContact O-C 3.58Å; V19-V40 WeakPolarHBondContact O-CA 3.42Å; V19-A41 PolarHBondContact O-N 3.03Å; V19-G61 VanDerWaalsContact CA-O 3.3Å; V19-G61 WeakPolarHBondContact CA-O 3.43Å; V19-L63 HydrophobicContact CG1-CD1 4.09Å; V19-L63 HydrophobicContact CG1-CG 4.49Å; V19-I324 HydrophobicContact CG1-CG2 4.03Å; V19-I324 HydrophobicContact CG2-CG2 3.67Å; V19-I328 HydrophobicContact CG2-CD1 3.83Å
20	A	98.6	Very high	85.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.3	-178.5	0	0	0	0	0	111.9	L22 A41 V55 A59 G61 A62 L63	A20-L22 HydrophobicContact CB-CD2 4.05Å; A20-A41 WeakPolarHBondContact CA-O 3.28Å; A20-V55 HydrophobicContact CB-CG1 3.56Å; A20-V55 HydrophobicContact CB-CG2 4.44Å; A20-A59 HydrophobicContact CB-CB 4.48Å; A20-G61 PolarHBondContact N-O 2.78Å; A20-A62 CarbonylContact O-C 3.51Å; A20-A62 WeakPolarHBondContact O-CA 3.47Å; A20-L63 PolarHBondContact O-N 3.06Å
21	L	98.8	Very high	87.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.5	160.5	176.8	62.5	0	0	0	108.4	D26 A41 F42 C43 L63 Y65 I87	L21-D26 WeakPolarHBondContact CD2-O 3.46Å; L21-A41 PolarHBondContact N-O 3.4Å; L21-F42 HydrophobicContact CB-CB 4.18Å; L21-F42 CarbonylContact O-C 3.11Å; L21-F42 VanDerWaalsContact O-CA 3.29Å; L21-F42 WeakPolarHBondContact O-CA 3.26Å; L21-C43 PolarHBondContact O-N 3.36Å; L21-L63 CarbonylContact C-O 3.54Å; L21-L63 WeakPolarHBondContact CA-O 3.49Å; L21-L63 HydrophobicContact CD1-CB 3.93Å; L21-Y65 HydrophobicContact CD1-CD2 4.18Å; L21-Y65 HydrophobicContact CD1-CE2 3.81Å; L21-Y65 HydrophobicContact CD2-CE2 4.48Å; L21-I87 HydrophobicContact CD1-CD1 3.96Å
22	L	98.8	Very high	89.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-74.2	-55.9	-169.6	-56.1	-173.6	0	0	0	112.1	A20 C43 D44 A45 I51 V55 A62 L63 M64 I68 L70 F78	A20-L22 HydrophobicContact CB-CD2 4.05Å; L22-C43 WeakPolarHBondContact O-CB 3.35Å; L22-D44 PolarHBondContact O-N 2.96Å; L22-A45 PolarHBondContact O-N 2.97Å; L22-I51 HydrophobicContact CD1-CD1 4.43Å; L22-I51 HydrophobicContact CD2-CD1 4.26Å; L22-V55 HydrophobicContact CD2-CG1 4.43Å; L22-A62 HydrophobicContact CD1-CB 4.12Å; L22-A62 HydrophobicContact CD2-CB 4.27Å; L22-A62 HydrophobicContact CG-CB 4.17Å; L22-L63 PolarHBondContact N-O 3.17Å; L22-M64 HydrophobicContact CB-CB 4.27Å; L22-M64 HydrophobicContact CD1-CB 4.32Å; L22-M64 HydrophobicContact CD1-SD 4.13Å; L22-M64 HydrophobicContact CG-CB 4.41Å; L22-I68 HydrophobicContact CB-CD1 4.49Å; L22-I68 HydrophobicContact CB-CG2 4.31Å; L22-L70 HydrophobicContact CD1-CD1 4.17Å; L22-F78 HydrophobicContact CD1-CZ 4.32Å; L22-F78 HydrophobicContact CD2-CZ 4.47Å
23	D	98.3	Very high	92	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.064	27%	0.274	C	S	.	.	S	Bend	trans	-112.2	33	-166.4	61.8	-18.1	0	0	0	113	A45 M64 Y65 T67 I68	D23-A45 VanDerWaalsContact CA-O 3.31Å; D23-A45 WeakPolarHBondContact CA-O 3.33Å; D23-A45 WeakPolarHBondContact CB-O 3.17Å; D23-M64 WeakPolarHBondContact OD1-CA 3.38Å; D23-M64 WeakPolarHBondContact OD1-CB 3.42Å; D23-Y65 VanDerWaalsContact CG-N 3.27Å; D23-Y65 PolarHBondContact OD1-N 3.21Å; D23-Y65 VanDerWaalsContact OD2-CA 3.29Å; D23-Y65 WeakPolarHBondContact OD2-CA 3.37Å; D23-Y65 WeakPolarHBondContact OD2-CB 3.17Å; D23-Y65 PolarHBondContact OD2-N 2.94Å; D23-T67 WeakPolarHBondContact CB-OG1 3.44Å; D23-T67 PolarHBondContact OD2-N 3.07Å; D23-T67 PolarHBondContact OD2-OG1 2.71Å; D23-T67 VanDerWaalsContact OD2-OG1 3.1Å; D23-I68 HydrophobicContact CB-CB 3.84Å; D23-I68 HydrophobicContact CB-CG2 3.67Å; D23-I68 PolarHBondContact OD2-N 2.6Å
24	G	97.1	Very high	94	Very high	10 Å²	10	51 Å²	51	10%	0.103	26%	0.26	C	S	.	.			trans	-152.9	170	173	0	0	0	0	0	112.2	F42 D44	G24-F42 WeakPolarHBondContact O-CB 3.27Å; G24-D44 PolarHBondContact O-N 3.46Å
25	R	97	Very high	95.9	Very high	173 Å²	173	49.8 Å²	49.8	65%	0.653	25%	0.252	S	S	*	.	S	Bend	trans	-115.5	-21	-174	-167.1	173.8	59.9	112.6	4	114.3	F42 D44	R25-F42 HydrophobicContact CB-CD2 4.44Å; R25-F42 HydrophobicContact CG-CD2 4.14Å; R25-F42 HydrophobicContact CG-CE2 3.75Å; R25-F42 HydrophobicContact CG-CZ 4.08Å; R25-F42 WeakPolarHBondContact O-CD1 3.19Å; R25-D44 HydrophobicContact CB-CB 4.32Å; R25-D44 WeakPolarHBondContact CD-OD2 3.46Å
26	D	98	Very high	97.3	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	24%	0.237	S	C	.	.			trans	-99.4	114.5	-177	174.1	17.2	0	0	0	110.8	L21 T28 R317	L21-D26 WeakPolarHBondContact CD2-O 3.46Å; D26-T28 VanDerWaalsContact OD1-CB 3.24Å; D26-T28 WeakPolarHBondContact OD1-CB 3.5Å; D26-T28 VanDerWaalsContact OD1-CG2 3.23Å; D26-T28 WeakPolarHBondContact OD1-CG2 3.26Å; D26-T28 PolarHBondContact OD1-N 3.36Å; D26-T28 PolarHBondContact OD1-OG1 3.11Å; D26-T28 PolarHBondContact OD2-OG1 2.96Å; D26-R317 PolarHBondContact O-NH2 2.89Å; D26-R317 IonicContact OD1-NH2 2.71Å; D26-R317 PolarHBondContact OD1-NH2 3.17Å; D26-R317 IonicContact OD2-CZ 2.73Å; D26-R317 IonicContact OD2-NH1 3.41Å; D26-R317 PolarHBondContact OD2-NH1 2.84Å; D26-R317 IonicContact OD2-NH2 2.82Å; D26-R317 PolarHBondContact OD2-NH2 3.41Å; D26-R317 VanDerWaalsContact OD2-NH2 3.17Å
27	C	97.9	Very high	97.7	Very high	15 Å²	15	41.9 Å²	41.9	10%	0.101	22%	0.216	C	C	.	.			trans	-111	17.5	173.3	-64.4	0	0	0	0	113.3	V29 E30 M31 V40	C27-V29 VanDerWaalsContact C-N 3.33Å; C27-V29 PolarHBondContact O-N 2.85Å; C27-E30 WeakPolarHBondContact CA-OE2 3.42Å; C27-E30 PolarHBondContact O-N 2.91Å; C27-M31 HydrophobicContact CB-CG 4.03Å; C27-M31 WeakPolarHBondContact O-CB 3.11Å; C27-M31 WeakPolarHBondContact O-CG 3.32Å; C27-M31 PolarHBondContact O-N 2.98Å; C27-V40 HydrophobicContact CB-CG1 4.11Å
28	T	98.4	Very high	97.8	Very high	99 Å²	99	41.8 Å²	41.8	61%	0.607	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.7	-171.7	54.8	0	0	0	0	114.6	D26 P32	D26-T28 VanDerWaalsContact OD1-CB 3.24Å; D26-T28 WeakPolarHBondContact OD1-CB 3.5Å; D26-T28 VanDerWaalsContact OD1-CG2 3.23Å; D26-T28 WeakPolarHBondContact OD1-CG2 3.26Å; D26-T28 PolarHBondContact OD1-N 3.36Å; D26-T28 PolarHBondContact OD1-OG1 3.11Å; D26-T28 PolarHBondContact OD2-OG1 2.96Å; T28-P32 WeakPolarHBondContact O-CD 3.28Å; T28-P32 WeakPolarHBondContact O-CG 3.27Å
29	V	98.6	Very high	97.8	Very high	28 Å²	28	44 Å²	44	17%	0.17	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-39.4	176.2	177.2	0	0	0	0	111	C27 I33 R317 E318	C27-V29 VanDerWaalsContact C-N 3.33Å; C27-V29 PolarHBondContact O-N 2.85Å; V29-I33 WeakPolarHBondContact O-CD1 3.34Å; V29-R317 HydrophobicContact CB-CB 4.07Å; V29-R317 HydrophobicContact CG1-CB 3.79Å; V29-E318 HydrophobicContact CG1-CB 4.44Å; V29-E318 HydrophobicContact CG1-CG 3.64Å
30	E	98.7	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-78.3	-36.9	-174	-57.9	83.3	174.5	0	0	111.9	C27 I33 L34 L63 R317 A321	C27-E30 WeakPolarHBondContact CA-OE2 3.42Å; C27-E30 PolarHBondContact O-N 2.91Å; E30-I33 PolarHBondContact O-N 2.8Å; E30-I33 VanDerWaalsContact O-N 3.14Å; E30-L34 HydrophobicContact CB-CD1 4.48Å; E30-L34 WeakPolarHBondContact O-CB 3.26Å; E30-L34 PolarHBondContact O-N 3.11Å; E30-L63 HydrophobicContact CB-CD1 4.47Å; E30-L63 HydrophobicContact CG-CD1 4.09Å; E30-R317 WeakPolarHBondContact OE1-CB 3.29Å; E30-R317 WeakPolarHBondContact OE1-CG 3.43Å; E30-R317 IonicContact OE1-CZ 3.17Å; E30-R317 IonicContact OE1-NE 2.69Å; E30-R317 PolarHBondContact OE1-NE 2.87Å; E30-R317 IonicContact OE1-NH2 2.77Å; E30-R317 IonicContact OE2-CZ 2.77Å; E30-R317 IonicContact OE2-NE 3.34Å; E30-R317 PolarHBondContact OE2-NE 3.42Å; E30-R317 IonicContact OE2-NH2 3.54Å; E30-R317 PolarHBondContact OE2-NH2 2.83Å; E30-A321 HydrophobicContact CB-CB 4.08Å; E30-A321 HydrophobicContact CG-CB 4.09Å
31	M	97.5	Very high	97.7	Very high	91 Å²	91	46.6 Å²	46.6	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-55.4	-51.8	-179.4	-86.7	-82.5	-83.1	0	0	113.2	C27 I33 L34 K35 V40	C27-M31 HydrophobicContact CB-CG 4.03Å; C27-M31 WeakPolarHBondContact O-CB 3.11Å; C27-M31 WeakPolarHBondContact O-CG 3.32Å; C27-M31 PolarHBondContact O-N 2.98Å; M31-I33 PolarHBondContact O-N 3.19Å; M31-L34 PolarHBondContact O-N 3.03Å; M31-K35 VanDerWaalsContact O-CB 3.26Å; M31-K35 WeakPolarHBondContact O-CB 3.45Å; M31-K35 PolarHBondContact O-N 2.75Å; M31-V40 HydrophobicContact CG-CB 4.21Å; M31-V40 HydrophobicContact SD-CB 3.73Å; M31-V40 HydrophobicContact SD-CG2 4.17Å
32	P	98.3	Very high	97.7	Very high	74 Å²	74	51.8 Å²	51.8	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-57	-31	176.2	-27.5	35.5	0	0	0	114.8	T28 K35	T28-P32 WeakPolarHBondContact O-CD 3.28Å; T28-P32 WeakPolarHBondContact O-CG 3.27Å; P32-K35 WeakPolarHBondContact O-CE 3.2Å
33	I	98.6	Very high	97.6	Very high	34 Å²	34	53.2 Å²	53.2	17%	0.174	28%	0.282	C	S	.	.	H	α-helix	trans	-83	-26.7	-176.6	-61.7	170.9	0	0	0	112	V29 E30 M31 E318 A321 R322 R325	V29-I33 WeakPolarHBondContact O-CD1 3.34Å; E30-I33 PolarHBondContact O-N 2.8Å; E30-I33 VanDerWaalsContact O-N 3.14Å; M31-I33 PolarHBondContact O-N 3.19Å; I33-E318 HydrophobicContact CD1-CB 3.93Å; I33-E318 HydrophobicContact CD1-CG 3.94Å; I33-A321 HydrophobicContact CB-CB 4.01Å; I33-A321 HydrophobicContact CD1-CB 3.99Å; I33-A321 HydrophobicContact CG2-CB 3.8Å; I33-R322 HydrophobicContact CG2-CG 4.33Å; I33-R325 PolarHBondContact O-NH1 3.21Å
34	L	98.1	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-111.7	-15.9	-173	-67.8	177.2	0	0	0	115	V19 E30 M31 D36 V37 A38 V40 A321 I324 R325	V19-L34 HydrophobicContact CG1-CD1 4.29Å; E30-L34 HydrophobicContact CB-CD1 4.48Å; E30-L34 WeakPolarHBondContact O-CB 3.26Å; E30-L34 PolarHBondContact O-N 3.11Å; M31-L34 PolarHBondContact O-N 3.03Å; L34-D36 PolarHBondContact O-N 3.49Å; L34-V37 HydrophobicContact CD2-CG2 4.09Å; L34-V37 WeakPolarHBondContact O-CG2 3.33Å; L34-V37 PolarHBondContact O-N 2.92Å; L34-A38 HydrophobicContact CB-CB 4.39Å; L34-A38 PolarHBondContact O-N 2.92Å; L34-V40 HydrophobicContact CB-CG2 3.62Å; L34-V40 HydrophobicContact CD1-CG2 3.81Å; L34-V40 HydrophobicContact CG-CG2 4.37Å; L34-A321 HydrophobicContact CD1-CB 4.3Å; L34-A321 WeakPolarHBondContact CD2-O 3.28Å; L34-A321 HydrophobicContact CG-CB 4.31Å; L34-I324 HydrophobicContact CD1-CB 4.38Å; L34-I324 HydrophobicContact CD1-CG2 3.96Å; L34-I324 HydrophobicContact CD2-CB 4.23Å; L34-I324 HydrophobicContact CD2-CG2 3.8Å; L34-R325 HydrophobicContact CD2-CB 3.99Å
35	K	95.6	Very high	97.6	Very high	133 Å²	133	55.5 Å²	55.5	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.8	-172.3	61.6	-178.5	178.1	-176.7	0	117	M31 P32	M31-K35 VanDerWaalsContact O-CB 3.26Å; M31-K35 WeakPolarHBondContact O-CB 3.45Å; M31-K35 PolarHBondContact O-N 2.75Å; P32-K35 WeakPolarHBondContact O-CE 3.2Å
36	D	95.5	Very high	97.5	Very high	90 Å²	90	53 Å²	53	48%	0.481	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-18.2	-179.3	61.4	-46.7	0	0	0	113.1	L34 R325	L34-D36 PolarHBondContact O-N 3.49Å; D36-R325 IonicContact OD1-CZ 3.18Å; D36-R325 IonicContact OD1-NH1 3.54Å; D36-R325 PolarHBondContact OD1-NH1 2.91Å; D36-R325 IonicContact OD1-NH2 2.78Å; D36-R325 IonicContact OD2-CZ 3.17Å; D36-R325 IonicContact OD2-NH1 3.23Å; D36-R325 PolarHBondContact OD2-NH1 2.79Å; D36-R325 IonicContact OD2-NH2 3.57Å; D36-R325 PolarHBondContact OD2-NH2 3.42Å
37	V	96.3	Very high	97.4	Very high	23 Å²	23	51.3 Å²	51.3	14%	0.139	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-13.7	-176	-62.4	0	0	0	0	114.6	P17 L34 R325 I328 T329	P17-V37 VanDerWaalsContact CD-O 3.28Å; P17-V37 WeakPolarHBondContact CD-O 3.26Å; P17-V37 WeakPolarHBondContact CG-O 3.26Å; L34-V37 HydrophobicContact CD2-CG2 4.09Å; L34-V37 WeakPolarHBondContact O-CG2 3.33Å; L34-V37 PolarHBondContact O-N 2.92Å; V37-R325 HydrophobicContact CG2-CG 4.27Å; V37-I328 HydrophobicContact CB-CG2 4.26Å; V37-T329 HydrophobicContact CG1-CG2 4Å
38	A	97.5	Very high	97.3	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	28%	0.278	C	S	.	.			trans	-150.6	161	-175.5	0	0	0	0	0	113	P17 V19 L34 I328	P17-A38 HydrophobicContact CG-CB 4.44Å; P17-A38 WeakPolarHBondContact O-CA 3.36Å; V19-A38 HydrophobicContact CG2-CB 3.78Å; L34-A38 HydrophobicContact CB-CB 4.39Å; L34-A38 PolarHBondContact O-N 2.92Å; A38-I328 HydrophobicContact CB-CD1 3.92Å
39	T	97.7	Very high	97.2	Very high	69 Å²	69	53.1 Å²	53.1	42%	0.423	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.2	160.8	-55.3	0	0	0	0	107.3	R16 P17 L18 V19	R16-T39 WeakPolarHBondContact CB-OG1 3.48Å; P17-T39 PolarHBondContact O-N 2.93Å; L18-T39 WeakPolarHBondContact CA-O 3.43Å; V19-T39 PolarHBondContact N-O 2.8Å
40	V	97.8	Very high	97.1	Very high	20 Å²	20	56.2 Å²	56.2	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.3	176.5	-170.1	0	0	0	0	109.7	V19 C27 M31 L34	V19-V40 CarbonylContact O-C 3.58Å; V19-V40 WeakPolarHBondContact O-CA 3.42Å; C27-V40 HydrophobicContact CB-CG1 4.11Å; M31-V40 HydrophobicContact CG-CB 4.21Å; M31-V40 HydrophobicContact SD-CB 3.73Å; M31-V40 HydrophobicContact SD-CG2 4.17Å; L34-V40 HydrophobicContact CB-CG2 3.62Å; L34-V40 HydrophobicContact CD1-CG2 3.81Å; L34-V40 HydrophobicContact CG-CG2 4.37Å
41	A	97.6	Very high	97.1	Very high	35 Å²	35	56.6 Å²	56.6	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	170.3	171.7	0	0	0	0	0	110.1	L18 V19 A20 L21	L18-A41 HydrophobicContact CD1-CB 3.97Å; V19-A41 PolarHBondContact O-N 3.03Å; A20-A41 WeakPolarHBondContact CA-O 3.28Å; L21-A41 PolarHBondContact N-O 3.4Å
42	F	98	Very high	97.1	Very high	109 Å²	109	58.6 Å²	58.6	48%	0.478	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.9	170.7	68.3	-97.5	0	0	0	110.3	L21 G24 R25 D44	L21-F42 HydrophobicContact CB-CB 4.18Å; L21-F42 CarbonylContact O-C 3.11Å; L21-F42 VanDerWaalsContact O-CA 3.29Å; L21-F42 WeakPolarHBondContact O-CA 3.26Å; G24-F42 WeakPolarHBondContact O-CB 3.27Å; R25-F42 HydrophobicContact CB-CD2 4.44Å; R25-F42 HydrophobicContact CG-CD2 4.14Å; R25-F42 HydrophobicContact CG-CE2 3.75Å; R25-F42 HydrophobicContact CG-CZ 4.08Å; R25-F42 WeakPolarHBondContact O-CD1 3.19Å; F42-D44 HydrophobicContact CD2-CB 4.22Å
43	C	97.4	Very high	97	Very high	30 Å²	30	62 Å²	62	20%	0.203	31%	0.314	C	S	.	.			trans	-114.5	-27.1	176.7	-54.5	0	0	0	0	113.1	L21 L22 A45	L21-C43 PolarHBondContact O-N 3.36Å; L22-C43 WeakPolarHBondContact O-CB 3.35Å; C43-A45 HydrophobicContact CB-CB 4.06Å; C43-A45 PolarHBondContact O-N 3.49Å
44	D	97.4	Very high	96.9	Very high	70 Å²	70	65.6 Å²	65.6	37%	0.374	33%	0.328	S	S	.	.			trans	53.2	35.1	-174.3	-153.2	26.3	0	0	0	112.8	L22 G24 R25 F42 Q46	L22-D44 PolarHBondContact O-N 2.96Å; G24-D44 PolarHBondContact O-N 3.46Å; R25-D44 HydrophobicContact CB-CB 4.32Å; R25-D44 WeakPolarHBondContact CD-OD2 3.46Å; F42-D44 HydrophobicContact CD2-CB 4.22Å; D44-Q46 PolarHBondContact O-NE2 3.5Å
45	A	97.1	Very high	96.9	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.008	33%	0.332	C	S	.	.			trans	-95.9	134.1	-171.3	0	0	0	0	0	112.1	L22 D23 C43 E50 I51	L22-A45 PolarHBondContact O-N 2.97Å; D23-A45 VanDerWaalsContact CA-O 3.31Å; D23-A45 WeakPolarHBondContact CA-O 3.33Å; D23-A45 WeakPolarHBondContact CB-O 3.17Å; C43-A45 HydrophobicContact CB-CB 4.06Å; C43-A45 PolarHBondContact O-N 3.49Å; A45-E50 WeakPolarHBondContact CA-OE2 3.44Å; A45-E50 HydrophobicContact CB-CB 3.81Å; A45-I51 HydrophobicContact CB-CG1 4.01Å
46	Q	94.7	Very high	97	Very high	120 Å²	120	61 Å²	61	56%	0.561	31%	0.31	S	S	*	.	S	Bend	trans	-93.6	-19.5	173.4	-67.6	73.9	73.2	0	0	111.6	D44 E50	D44-Q46 PolarHBondContact O-NE2 3.5Å; Q46-E50 PolarHBondContact N-OE2 3.45Å
47	S	96.2	Very high	97.1	Very high	32 Å²	32	60.8 Å²	60.8	22%	0.224	31%	0.309	C	S	.	.	S	Bend	trans	-136.9	160.2	176.7	76	0	0	0	0	112	Q49 E50	S47-Q49 PolarHBondContact O-N 3.37Å; S47-Q49 PolarHBondContact OG-OE1 2.64Å; S47-E50 WeakPolarHBondContact CB-OE1 3.47Å; S47-E50 PolarHBondContact N-OE1 3.44Å; S47-E50 PolarHBondContact N-OE2 3.42Å; S47-E50 PolarHBondContact O-N 2.96Å; S47-E50 VanDerWaalsContact OG-CD 3.28Å; S47-E50 PolarHBondContact OG-OE1 3.11Å
48	T	95.5	Very high	97.1	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.037	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-70.9	-16.3	-179.6	65.8	0	0	0	0	113.5	E50 I51 I68 L70 D74 K77	T48-E50 VanDerWaalsContact C-N 3.26Å; T48-I51 HydrophobicContact CG2-CD1 4.27Å; T48-I51 PolarHBondContact O-N 3.08Å; T48-I68 HydrophobicContact CG2-CD1 4.24Å; T48-L70 HydrophobicContact CG2-CD2 3.56Å; T48-D74 WeakPolarHBondContact CB-OD1 3.21Å; T48-D74 HydrophobicContact CG2-CB 3.71Å; T48-D74 WeakPolarHBondContact CG2-OD1 3.17Å; T48-D74 PolarHBondContact OG1-OD1 2.71Å; T48-K77 PolarHBondContact OG1-NZ 2.97Å
49	Q	96.6	Very high	97.2	Very high	146 Å²	146	64.3 Å²	64.3	68%	0.682	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-69.5	-23.8	174.1	-67.9	75.5	5.7	0	0	112.2	S47	S47-Q49 PolarHBondContact O-N 3.37Å; S47-Q49 PolarHBondContact OG-OE1 2.64Å
50	E	97.4	Very high	97.2	Very high	94 Å²	94	61.9 Å²	61.9	44%	0.439	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-87.2	-12.4	177.2	-66.9	146.4	-133.4	0	0	112.7	A45 Q46 S47 T48 H52	A45-E50 WeakPolarHBondContact CA-OE2 3.44Å; A45-E50 HydrophobicContact CB-CB 3.81Å; Q46-E50 PolarHBondContact N-OE2 3.45Å; S47-E50 WeakPolarHBondContact CB-OE1 3.47Å; S47-E50 PolarHBondContact N-OE1 3.44Å; S47-E50 PolarHBondContact N-OE2 3.42Å; S47-E50 PolarHBondContact O-N 2.96Å; S47-E50 VanDerWaalsContact OG-CD 3.28Å; S47-E50 PolarHBondContact OG-OE1 3.11Å; T48-E50 VanDerWaalsContact C-N 3.26Å; E50-H52 PolarHBondContact O-N 2.87Å
51	I	97.8	Very high	97.2	Very high	7 Å²	7	61 Å²	61	4%	0.036	30%	0.302	C	S	.	.	S	Bend	trans	-72.1	112.8	179.8	-57.6	175.9	0	0	0	109.4	L22 A45 T48 E53 V55 L56 I68 F78	L22-I51 HydrophobicContact CD1-CD1 4.43Å; L22-I51 HydrophobicContact CD2-CD1 4.26Å; A45-I51 HydrophobicContact CB-CG1 4.01Å; T48-I51 HydrophobicContact CG2-CD1 4.27Å; T48-I51 PolarHBondContact O-N 3.08Å; I51-E53 PolarHBondContact O-N 3.36Å; I51-V55 HydrophobicContact CG2-CB 3.77Å; I51-V55 HydrophobicContact CG2-CG1 3.63Å; I51-L56 HydrophobicContact CB-CD2 4.07Å; I51-L56 HydrophobicContact CB-CG 4.34Å; I51-L56 HydrophobicContact CG2-CD2 3.7Å; I51-L56 HydrophobicContact CG2-CG 3.89Å; I51-I68 HydrophobicContact CD1-CD1 3.98Å; I51-I68 HydrophobicContact CG1-CD1 4.49Å; I51-F78 HydrophobicContact CD1-CZ 3.92Å
52	H	97.8	Very high	97.3	Very high	133 Å²	133	59.3 Å²	59.3	62%	0.616	29%	0.289	S	S	*	.			trans	-53.7	136.7	-179.7	-174.5	-85.1	0	0	0	112.5	E50 K54 V55 L56	E50-H52 PolarHBondContact O-N 2.87Å; H52-K54 VanDerWaalsContact ND1-CB 3.31Å; H52-K54 WeakPolarHBondContact ND1-CB 3.49Å; H52-K54 PolarHBondContact ND1-N 2.84Å; H52-K54 VanDerWaalsContact ND1-N 3.2Å; H52-K54 PolarHBondContact O-N 2.99Å; H52-V55 WeakPolarHBondContact O-CB 3.36Å; H52-V55 PolarHBondContact O-N 3.47Å; H52-L56 PolarHBondContact O-N 3.43Å
53	E	96.9	Very high	97.3	Very high	147 Å²	147	54.1 Å²	54.1	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-49.7	-38.3	-174.3	-64.3	-173.3	160.2	0	0	113.8	I51 V55 L56 N57	I51-E53 PolarHBondContact O-N 3.36Å; E53-V55 VanDerWaalsContact C-N 3.28Å; E53-V55 PolarHBondContact O-N 2.9Å; E53-L56 PolarHBondContact O-N 3.47Å; E53-N57 WeakPolarHBondContact O-CB 3.45Å; E53-N57 VanDerWaalsContact O-CG 3.32Å; E53-N57 PolarHBondContact O-N 2.76Å; E53-N57 PolarHBondContact O-ND2 3.04Å; E53-N57 VanDerWaalsContact O-ND2 3.16Å
54	K	96.6	Very high	97.4	Very high	109 Å²	109	52.7 Å²	52.7	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-55.1	-41	175.3	-168.7	176.3	-176.5	178.8	0	113	H52 N57 E58	H52-K54 VanDerWaalsContact ND1-CB 3.31Å; H52-K54 WeakPolarHBondContact ND1-CB 3.49Å; H52-K54 PolarHBondContact ND1-N 2.84Å; H52-K54 VanDerWaalsContact ND1-N 3.2Å; H52-K54 PolarHBondContact O-N 2.99Å; K54-N57 PolarHBondContact O-N 3.28Å; K54-E58 WeakPolarHBondContact CE-OE1 3.36Å; K54-E58 WeakPolarHBondContact CE-OE2 3.2Å; K54-E58 HydrophobicContact CG-CG 4.28Å; K54-E58 WeakPolarHBondContact CG-OE1 3.23Å; K54-E58 IonicContact NZ-OE2 3.77Å; K54-E58 VanDerWaalsContact O-CB 3.27Å; K54-E58 WeakPolarHBondContact O-CB 3.28Å; K54-E58 PolarHBondContact O-N 3.31Å
55	V	97.9	Very high	97.4	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-69.5	-45.5	178.1	173.7	0	0	0	0	110	L18 A20 L22 I51 H52 E53 N57 A59 F78	L18-V55 HydrophobicContact CD2-CG2 4.35Å; A20-V55 HydrophobicContact CB-CG1 3.56Å; A20-V55 HydrophobicContact CB-CG2 4.44Å; L22-V55 HydrophobicContact CD2-CG1 4.43Å; I51-V55 HydrophobicContact CG2-CB 3.77Å; I51-V55 HydrophobicContact CG2-CG1 3.63Å; H52-V55 WeakPolarHBondContact O-CB 3.36Å; H52-V55 PolarHBondContact O-N 3.47Å; E53-V55 VanDerWaalsContact C-N 3.28Å; E53-V55 PolarHBondContact O-N 2.9Å; V55-N57 VanDerWaalsContact C-N 3.27Å; V55-N57 PolarHBondContact O-N 3.5Å; V55-A59 HydrophobicContact CG1-CB 3.94Å; V55-A59 WeakPolarHBondContact O-CB 3.35Å; V55-A59 PolarHBondContact O-N 2.81Å; V55-F78 HydrophobicContact CG1-CE1 4.47Å
56	L	97.6	Very high	97.5	Very high	24 Å²	24	53.7 Å²	53.7	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-40.3	175.4	-61.1	175.9	0	0	0	111.7	I51 H52 E53 K77 F78 K79	I51-L56 HydrophobicContact CB-CD2 4.07Å; I51-L56 HydrophobicContact CB-CG 4.34Å; I51-L56 HydrophobicContact CG2-CD2 3.7Å; I51-L56 HydrophobicContact CG2-CG 3.89Å; H52-L56 PolarHBondContact O-N 3.43Å; E53-L56 PolarHBondContact O-N 3.47Å; L56-K77 HydrophobicContact CD1-CB 4.43Å; L56-K77 HydrophobicContact CD2-CB 4.13Å; L56-F78 HydrophobicContact CD2-CD1 4.07Å; L56-F78 HydrophobicContact CD2-CD2 4.28Å; L56-F78 HydrophobicContact CD2-CE1 3.84Å; L56-F78 HydrophobicContact CD2-CE2 4.05Å; L56-F78 HydrophobicContact CD2-CG 4.29Å; L56-F78 HydrophobicContact CD2-CZ 3.84Å; L56-F78 CarbonylContact O-C 3.41Å; L56-F78 VanDerWaalsContact O-CA 3.3Å; L56-F78 WeakPolarHBondContact O-CA 3.26Å; L56-K79 PolarHBondContact O-N 2.82Å
57	N	97.1	Very high	97.6	Very high	84 Å²	84	51.7 Å²	51.7	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-79.6	-42.5	-177.7	-70.2	-35.6	0	0	0	113.8	E53 K54 V55 A80	E53-N57 WeakPolarHBondContact O-CB 3.45Å; E53-N57 VanDerWaalsContact O-CG 3.32Å; E53-N57 PolarHBondContact O-N 2.76Å; E53-N57 PolarHBondContact O-ND2 3.04Å; E53-N57 VanDerWaalsContact O-ND2 3.16Å; K54-N57 PolarHBondContact O-N 3.28Å; V55-N57 VanDerWaalsContact C-N 3.27Å; V55-N57 PolarHBondContact O-N 3.5Å; N57-A80 VanDerWaalsContact O-CB 3.3Å; N57-A80 WeakPolarHBondContact O-CB 3.35Å; N57-A80 PolarHBondContact O-N 2.89Å
58	E	97.3	Very high	97.7	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-110.4	-16.6	-166.6	-59.7	177.6	-156.8	0	0	115.4	L18 K54 V60	L18-E58 HydrophobicContact CD2-CB 4.12Å; K54-E58 WeakPolarHBondContact CE-OE1 3.36Å; K54-E58 WeakPolarHBondContact CE-OE2 3.2Å; K54-E58 HydrophobicContact CG-CG 4.28Å; K54-E58 WeakPolarHBondContact CG-OE1 3.23Å; K54-E58 IonicContact NZ-OE2 3.77Å; K54-E58 VanDerWaalsContact O-CB 3.27Å; K54-E58 WeakPolarHBondContact O-CB 3.28Å; K54-E58 PolarHBondContact O-N 3.31Å; E58-V60 PolarHBondContact O-N 3.2Å
59	A	98	Very high	97.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126	-176	0	0	0	0	0	111.4	L18 A20 V55 A80 L81	L18-A59 HydrophobicContact CD2-CB 4.22Å; L18-A59 HydrophobicContact CG-CB 4.27Å; A20-A59 HydrophobicContact CB-CB 4.48Å; V55-A59 HydrophobicContact CG1-CB 3.94Å; V55-A59 WeakPolarHBondContact O-CB 3.35Å; V55-A59 PolarHBondContact O-N 2.81Å; A59-A80 CarbonylContact O-C 3.47Å; A59-L81 WeakPolarHBondContact O-CA 3.49Å; A59-L81 PolarHBondContact O-N 2.89Å
60	V	98.1	Very high	97.9	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.115	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-33.5	178.9	178.5	0	0	0	0	110.8	L13 P17 L18 E58 A80 R82 I83	L13-V60 HydrophobicContact CD2-CG1 3.93Å; L13-V60 HydrophobicContact CD2-CG2 4.21Å; P17-V60 HydrophobicContact CB-CB 4.01Å; P17-V60 HydrophobicContact CB-CG1 4.47Å; P17-V60 HydrophobicContact CB-CG2 3.84Å; L18-V60 PolarHBondContact O-N 2.95Å; E58-V60 PolarHBondContact O-N 3.2Å; V60-A80 HydrophobicContact CG2-CB 4.5Å; V60-R82 HydrophobicContact CG1-CB 4.38Å; V60-R82 HydrophobicContact CG1-CG 4.41Å; V60-R82 PolarHBondContact O-N 2.89Å; V60-I83 PolarHBondContact O-N 3.03Å
61	G	98.6	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146	173.6	0	0	0	0	0	111.8	L18 V19 A20 I83	L18-G61 PolarHBondContact O-N 3.05Å; V19-G61 VanDerWaalsContact CA-O 3.3Å; V19-G61 WeakPolarHBondContact CA-O 3.43Å; A20-G61 PolarHBondContact N-O 2.78Å; G61-I83 CarbonylContact C-O 3.57Å; G61-I83 WeakPolarHBondContact CA-O 3.36Å
62	A	98.8	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.7	171.7	0	0	0	0	0	110.7	A20 L22 L81 I83 I84 V85	A20-A62 CarbonylContact O-C 3.51Å; A20-A62 WeakPolarHBondContact O-CA 3.47Å; L22-A62 HydrophobicContact CD1-CB 4.12Å; L22-A62 HydrophobicContact CD2-CB 4.27Å; L22-A62 HydrophobicContact CG-CB 4.17Å; A62-L81 HydrophobicContact CB-CD1 3.79Å; A62-I83 PolarHBondContact N-O 2.95Å; A62-I84 HydrophobicContact CB-CG1 4.28Å; A62-I84 CarbonylContact O-C 3.14Å; A62-I84 WeakPolarHBondContact O-CA 3.37Å; A62-V85 PolarHBondContact O-N 3.27Å
63	L	98.9	Very high	98	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.1	167.5	-75.6	161	0	0	0	107.4	V19 A20 L21 L22 E30 V85 I87 A320 I324	V19-L63 HydrophobicContact CG1-CD1 4.09Å; V19-L63 HydrophobicContact CG1-CG 4.49Å; A20-L63 PolarHBondContact O-N 3.06Å; L21-L63 CarbonylContact C-O 3.54Å; L21-L63 WeakPolarHBondContact CA-O 3.49Å; L21-L63 HydrophobicContact CD1-CB 3.93Å; L22-L63 PolarHBondContact N-O 3.17Å; E30-L63 HydrophobicContact CB-CD1 4.47Å; E30-L63 HydrophobicContact CG-CD1 4.09Å; L63-V85 HydrophobicContact CD2-CB 4.03Å; L63-V85 HydrophobicContact CD2-CG1 4.39Å; L63-I87 HydrophobicContact CB-CD1 4.2Å; L63-I87 HydrophobicContact CD2-CD1 4.23Å; L63-I87 HydrophobicContact CD2-CG1 4.07Å; L63-A320 HydrophobicContact CD2-CB 3.59Å; L63-I324 HydrophobicContact CD1-CG1 4.37Å; L63-I324 HydrophobicContact CD2-CG1 3.9Å; L63-I324 HydrophobicContact CG-CD1 4.39Å; L63-I324 HydrophobicContact CG-CG1 3.97Å
64	M	98.8	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	149.7	176.9	55	-178.3	-77.5	0	0	113.3	L22 D23 I68 L70 I84 V85 R86 I87 N93 I94	L22-M64 HydrophobicContact CB-CB 4.27Å; L22-M64 HydrophobicContact CD1-CB 4.32Å; L22-M64 HydrophobicContact CD1-SD 4.13Å; L22-M64 HydrophobicContact CG-CB 4.41Å; D23-M64 WeakPolarHBondContact OD1-CA 3.38Å; D23-M64 WeakPolarHBondContact OD1-CB 3.42Å; M64-I68 HydrophobicContact CB-CG2 4.16Å; M64-I68 HydrophobicContact CE-CG2 3.64Å; M64-I68 VanDerWaalsContact CE-O 3.31Å; M64-I68 WeakPolarHBondContact CE-O 3.46Å; M64-I68 HydrophobicContact SD-CG2 4.36Å; M64-L70 HydrophobicContact CE-CD1 4.24Å; M64-L70 HydrophobicContact CE-CG 4.14Å; M64-L70 HydrophobicContact SD-CD1 3.46Å; M64-L70 WeakPolarHBondContact SD-CD1 3.46Å; M64-L70 HydrophobicContact SD-CG 4Å; M64-I84 HydrophobicContact CG-CG2 3.85Å; M64-I84 HydrophobicContact SD-CG2 3.62Å; M64-V85 PolarHBondContact N-O 2.94Å; M64-V85 VanDerWaalsContact N-O 3.17Å; M64-R86 WeakPolarHBondContact O-CA 3.45Å; M64-R86 PolarHBondContact O-NH1 3.1Å; M64-I87 PolarHBondContact O-N 2.84Å; M64-N93 WeakPolarHBondContact CE-ND2 3.49Å; M64-I94 HydrophobicContact CE-CD1 4.02Å; M64-I94 HydrophobicContact CE-CG1 3.74Å; M64-I94 HydrophobicContact SD-CD1 3.81Å; M64-I94 HydrophobicContact SD-CG1 4.03Å
65	Y	98.5	Very high	98.2	Very high	38 Å²	38	39.9 Å²	39.9	15%	0.149	20%	0.201	C	C	.	.			trans	-87.2	-148.6	171.6	-64.7	-81.9	0	0	0	110.1	L21 D23 R86 I87 N93 R317	L21-Y65 HydrophobicContact CD1-CD2 4.18Å; L21-Y65 HydrophobicContact CD1-CE2 3.81Å; L21-Y65 HydrophobicContact CD2-CE2 4.48Å; D23-Y65 VanDerWaalsContact CG-N 3.27Å; D23-Y65 PolarHBondContact OD1-N 3.21Å; D23-Y65 VanDerWaalsContact OD2-CA 3.29Å; D23-Y65 WeakPolarHBondContact OD2-CA 3.37Å; D23-Y65 WeakPolarHBondContact OD2-CB 3.17Å; D23-Y65 PolarHBondContact OD2-N 2.94Å; Y65-R86 VanDerWaalsContact C-CZ 3.45Å; Y65-R86 VanDerWaalsContact CA-NH1 3.27Å; Y65-R86 WeakPolarHBondContact O-CD 3.3Å; Y65-R86 PolarHBondContact O-NE 3.14Å; Y65-R86 VanDerWaalsContact O-NE 3.09Å; Y65-R86 PolarHBondContact O-NH1 3.34Å; Y65-I87 HydrophobicContact CD1-CB 3.84Å; Y65-I87 HydrophobicContact CD1-CG2 3.97Å; Y65-I87 HydrophobicContact CD2-CD1 4.42Å; Y65-I87 HydrophobicContact CE1-CB 3.73Å; Y65-I87 HydrophobicContact CE1-CD1 4.01Å; Y65-I87 HydrophobicContact CE1-CG1 4.48Å; Y65-I87 HydrophobicContact CE1-CG2 3.42Å; Y65-I87 VanDerWaalsContact CE1-CG2 3.42Å; Y65-I87 HydrophobicContact CE2-CD1 3.86Å; Y65-I87 HydrophobicContact CG-CB 4.49Å; Y65-N93 PolarHBondContact O-ND2 3.43Å; Y65-R317 WeakPolarHBondContact OH-CD 3.41Å; Y65-R317 WeakPolarHBondContact OH-CG 3.37Å
66	H	97.9	Very high	98.2	Very high	54 Å²	54	43.3 Å²	43.3	25%	0.25	22%	0.217	C	C	.	.	S	Bend	trans	-102.1	-3	-175.3	66.4	-97.6	0	0	0	113.3	E284 H304	H66-E284 IonicContact CD2-OE2 3.53Å; H66-H304 AromaticContact CD2-CE1 3.58Å; H66-H304 AromaticContact CD2-ND1 3.43Å; H66-H304 PolarHBondContact CD2-ND1 3.46Å; H66-H304 AromaticContact CE1-CG 3.93Å; H66-H304 AromaticContact CE1-ND1 3.78Å; H66-H304 AromaticContact CG-CE1 3.6Å; H66-H304 AromaticContact CG-ND1 3.9Å; H66-H304 AromaticContact ND1-CE1 3.87Å; H66-H304 AromaticContact NE2-CE1 3.88Å; H66-H304 AromaticContact NE2-CG 3.83Å; H66-H304 AromaticContact NE2-ND1 3.39Å; H66-H304 PolarHBondContact NE2-ND1 2.96Å
67	T	97.6	Very high	98.2	Very high	78 Å²	78	45.2 Å²	45.2	48%	0.479	22%	0.224	S	C	.	.	S	Bend	trans	-93	-17	-167.3	47.2	0	0	0	0	113.5	D23	D23-T67 WeakPolarHBondContact CB-OG1 3.44Å; D23-T67 PolarHBondContact OD2-N 3.07Å; D23-T67 PolarHBondContact OD2-OG1 2.71Å; D23-T67 VanDerWaalsContact OD2-OG1 3.1Å
68	I	98	Very high	98.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-106.3	143.6	167.2	-162.1	169.4	0	0	0	111.5	L22 D23 T48 I51 M64 N93	L22-I68 HydrophobicContact CB-CD1 4.49Å; L22-I68 HydrophobicContact CB-CG2 4.31Å; D23-I68 HydrophobicContact CB-CB 3.84Å; D23-I68 HydrophobicContact CB-CG2 3.67Å; D23-I68 PolarHBondContact OD2-N 2.6Å; T48-I68 HydrophobicContact CG2-CD1 4.24Å; I51-I68 HydrophobicContact CD1-CD1 3.98Å; I51-I68 HydrophobicContact CG1-CD1 4.49Å; M64-I68 HydrophobicContact CB-CG2 4.16Å; M64-I68 HydrophobicContact CE-CG2 3.64Å; M64-I68 VanDerWaalsContact CE-O 3.31Å; M64-I68 WeakPolarHBondContact CE-O 3.46Å; M64-I68 HydrophobicContact SD-CG2 4.36Å; I68-N93 PolarHBondContact O-ND2 3.2Å
69	T	98.3	Very high	98.3	Very high	81 Å²	81	42.4 Å²	42.4	50%	0.497	21%	0.206	S	C	.	.			trans	-109.5	137.6	174.5	-63.8	0	0	0	0	110.2	T71 N93	T69-T71 HydrophobicContact CG2-CG2 4.39Å; T69-N93 CarbonylContact C-O 3.53Å; T69-N93 WeakPolarHBondContact CA-O 3.25Å
70	L	98.6	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-116.6	96.3	176.1	-62.4	-176.6	0	0	0	110.5	L22 T48 M64 D74 L75 F78 I84 N93 I94 D95	L22-L70 HydrophobicContact CD1-CD1 4.17Å; T48-L70 HydrophobicContact CG2-CD2 3.56Å; M64-L70 HydrophobicContact CE-CD1 4.24Å; M64-L70 HydrophobicContact CE-CG 4.14Å; M64-L70 HydrophobicContact SD-CD1 3.46Å; M64-L70 WeakPolarHBondContact SD-CD1 3.46Å; M64-L70 HydrophobicContact SD-CG 4Å; L70-D74 HydrophobicContact CD2-CB 4.18Å; L70-L75 HydrophobicContact CB-CD2 4.09Å; L70-L75 HydrophobicContact CB-CG 4.23Å; L70-L75 HydrophobicContact CD1-CD2 4.12Å; L70-F78 HydrophobicContact CD2-CE2 4.27Å; L70-I84 HydrophobicContact CD1-CD1 3.81Å; L70-N93 PolarHBondContact N-O 2.94Å; L70-I94 HydrophobicContact CB-CG2 4.48Å; L70-D95 PolarHBondContact O-N 3.38Å
71	T	98.5	Very high	98.2	Very high	62 Å²	62	43.1 Å²	43.1	38%	0.38	21%	0.214	S	C	.	.			trans	-74.3	174.1	170.3	72	0	0	0	0	111.4	T69 E73 D74 L75	T69-T71 HydrophobicContact CG2-CG2 4.39Å; T71-E73 VanDerWaalsContact C-N 3.33Å; T71-E73 PolarHBondContact O-N 3.25Å; T71-E73 PolarHBondContact OG1-N 3.44Å; T71-D74 WeakPolarHBondContact CB-OD2 3.28Å; T71-D74 WeakPolarHBondContact CG2-OD2 3.4Å; T71-D74 PolarHBondContact N-OD2 2.92Å; T71-D74 WeakPolarHBondContact O-CB 3.33Å; T71-D74 PolarHBondContact O-N 2.72Å; T71-D74 VanDerWaalsContact O-N 3.14Å; T71-D74 VanDerWaalsContact OG1-CG 3.32Å; T71-D74 PolarHBondContact OG1-N 3.34Å; T71-D74 PolarHBondContact OG1-OD2 2.94Å; T71-L75 VanDerWaalsContact O-CG 3.29Å; T71-L75 WeakPolarHBondContact O-CG 3.27Å; T71-L75 PolarHBondContact O-N 2.74Å
72	R	98.1	Very high	98.2	Very high	115 Å²	115	44.8 Å²	44.8	43%	0.434	22%	0.22	S	C	.	.	H	α-helix	trans	-51.5	-49.1	169.5	-177.6	175.6	-175.6	126	6.6	113.2	D74 L75 E76 S98	R72-D74 PolarHBondContact O-N 3.05Å; R72-L75 PolarHBondContact O-N 2.87Å; R72-E76 HydrophobicContact CG-CG 4.47Å; R72-E76 WeakPolarHBondContact CG-OE1 3.39Å; R72-E76 IonicContact CZ-OE1 3.5Å; R72-E76 IonicContact NE-OE1 3.71Å; R72-E76 PolarHBondContact NE-OE1 2.89Å; R72-E76 IonicContact NH2-OE1 3.07Å; R72-E76 WeakPolarHBondContact O-CG 3.38Å; R72-E76 PolarHBondContact O-N 2.84Å; R72-S98 WeakPolarHBondContact CB-OG 3.19Å
73	E	98.3	Very high	98.2	Very high	150 Å²	150	44.9 Å²	44.9	70%	0.701	22%	0.221	S	C	*	.	H	α-helix	trans	-62.6	-29.8	-178.9	-63.3	-173.6	-179.2	0	0	111.9	T71 K77	T71-E73 VanDerWaalsContact C-N 3.33Å; T71-E73 PolarHBondContact O-N 3.25Å; T71-E73 PolarHBondContact OG1-N 3.44Å; E73-K77 WeakPolarHBondContact O-CE 3.19Å; E73-K77 WeakPolarHBondContact O-CG 3.45Å
74	D	98.5	Very high	98.2	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-73.8	-45.8	174.9	-62.5	-51.8	0	0	0	112.5	T48 L70 T71 R72 E76 K77 F78	T48-D74 WeakPolarHBondContact CB-OD1 3.21Å; T48-D74 HydrophobicContact CG2-CB 3.71Å; T48-D74 WeakPolarHBondContact CG2-OD1 3.17Å; T48-D74 PolarHBondContact OG1-OD1 2.71Å; L70-D74 HydrophobicContact CD2-CB 4.18Å; T71-D74 WeakPolarHBondContact CB-OD2 3.28Å; T71-D74 WeakPolarHBondContact CG2-OD2 3.4Å; T71-D74 PolarHBondContact N-OD2 2.92Å; T71-D74 WeakPolarHBondContact O-CB 3.33Å; T71-D74 PolarHBondContact O-N 2.72Å; T71-D74 VanDerWaalsContact O-N 3.14Å; T71-D74 VanDerWaalsContact OG1-CG 3.32Å; T71-D74 PolarHBondContact OG1-N 3.34Å; T71-D74 PolarHBondContact OG1-OD2 2.94Å; R72-D74 PolarHBondContact O-N 3.05Å; D74-E76 VanDerWaalsContact C-N 3.28Å; D74-E76 PolarHBondContact O-N 2.87Å; D74-K77 VanDerWaalsContact O-CB 3.29Å; D74-K77 WeakPolarHBondContact O-CB 3.47Å; D74-K77 PolarHBondContact O-N 2.74Å; D74-K77 VanDerWaalsContact O-N 3.09Å; D74-K77 IonicContact OD1-NZ 3.77Å; D74-K77 PolarHBondContact OD1-NZ 2.87Å; D74-F78 WeakPolarHBondContact O-CD2 3.48Å
75	L	98.6	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-36.4	178.4	-66.9	164.2	0	0	0	111.5	L70 T71 R72 K77 F78 I84 D95 A99 L102 I104	L70-L75 HydrophobicContact CB-CD2 4.09Å; L70-L75 HydrophobicContact CB-CG 4.23Å; L70-L75 HydrophobicContact CD1-CD2 4.12Å; T71-L75 VanDerWaalsContact O-CG 3.29Å; T71-L75 WeakPolarHBondContact O-CG 3.27Å; T71-L75 PolarHBondContact O-N 2.74Å; R72-L75 PolarHBondContact O-N 2.87Å; L75-K77 PolarHBondContact O-N 3.02Å; L75-F78 PolarHBondContact O-N 3.39Å; L75-I84 HydrophobicContact CD2-CD1 3.51Å; L75-D95 HydrophobicContact CD1-CB 4.25Å; L75-D95 WeakPolarHBondContact CD1-O 3.27Å; L75-A99 HydrophobicContact CD1-CB 3.93Å; L75-A99 HydrophobicContact CD2-CB 4.44Å; L75-L102 HydrophobicContact CB-CD1 3.56Å; L75-I104 HydrophobicContact CB-CD1 4.4Å; L75-I104 HydrophobicContact CD2-CD1 4.16Å
76	E	98.1	Very high	98.2	Very high	85 Å²	85	43.3 Å²	43.3	40%	0.397	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.5	175.8	-72	-179.9	-171.8	0	0	113.5	R72 D74 K79 L102	R72-E76 HydrophobicContact CG-CG 4.47Å; R72-E76 WeakPolarHBondContact CG-OE1 3.39Å; R72-E76 IonicContact CZ-OE1 3.5Å; R72-E76 IonicContact NE-OE1 3.71Å; R72-E76 PolarHBondContact NE-OE1 2.89Å; R72-E76 IonicContact NH2-OE1 3.07Å; R72-E76 WeakPolarHBondContact O-CG 3.38Å; R72-E76 PolarHBondContact O-N 2.84Å; D74-E76 VanDerWaalsContact C-N 3.28Å; D74-E76 PolarHBondContact O-N 2.87Å; E76-K79 PolarHBondContact O-NZ 3.02Å; E76-L102 HydrophobicContact CG-CD1 3.83Å; E76-L102 HydrophobicContact CG-CD2 3.96Å
77	K	98.3	Very high	98.2	Very high	64 Å²	64	40.9 Å²	40.9	28%	0.278	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.8	172.7	-63.4	163	-169.1	162.7	0	111.7	T48 L56 E73 D74 L75 K79	T48-K77 PolarHBondContact OG1-NZ 2.97Å; L56-K77 HydrophobicContact CD1-CB 4.43Å; L56-K77 HydrophobicContact CD2-CB 4.13Å; E73-K77 WeakPolarHBondContact O-CE 3.19Å; E73-K77 WeakPolarHBondContact O-CG 3.45Å; D74-K77 VanDerWaalsContact O-CB 3.29Å; D74-K77 WeakPolarHBondContact O-CB 3.47Å; D74-K77 PolarHBondContact O-N 2.74Å; D74-K77 VanDerWaalsContact O-N 3.09Å; D74-K77 IonicContact OD1-NZ 3.77Å; D74-K77 PolarHBondContact OD1-NZ 2.87Å; L75-K77 PolarHBondContact O-N 3.02Å; K77-K79 WeakPolarHBondContact O-CD 3.39Å; K77-K79 WeakPolarHBondContact O-CE 3.42Å; K77-K79 PolarHBondContact O-N 3.12Å; K77-K79 PolarHBondContact O-NZ 2.74Å
78	F	98.2	Very high	98.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	19%	0.186	C	C	.	.			trans	-74.4	125.2	-178.3	-68.5	-91.1	0	0	0	112.3	R5 L22 I51 V55 L56 L70 D74 L75 L81	R5-F78 PolarHBondContact NH2-O 3.22Å; L22-F78 HydrophobicContact CD1-CZ 4.32Å; L22-F78 HydrophobicContact CD2-CZ 4.47Å; I51-F78 HydrophobicContact CD1-CZ 3.92Å; V55-F78 HydrophobicContact CG1-CE1 4.47Å; L56-F78 HydrophobicContact CD2-CD1 4.07Å; L56-F78 HydrophobicContact CD2-CD2 4.28Å; L56-F78 HydrophobicContact CD2-CE1 3.84Å; L56-F78 HydrophobicContact CD2-CE2 4.05Å; L56-F78 HydrophobicContact CD2-CG 4.29Å; L56-F78 HydrophobicContact CD2-CZ 3.84Å; L56-F78 CarbonylContact O-C 3.41Å; L56-F78 VanDerWaalsContact O-CA 3.3Å; L56-F78 WeakPolarHBondContact O-CA 3.26Å; L70-F78 HydrophobicContact CD2-CE2 4.27Å; D74-F78 WeakPolarHBondContact O-CD2 3.48Å; L75-F78 PolarHBondContact O-N 3.39Å; F78-L81 HydrophobicContact CB-CB 3.61Å; F78-L81 HydrophobicContact CB-CD2 3.95Å; F78-L81 HydrophobicContact CB-CG 4.45Å; F78-L81 HydrophobicContact CD1-CB 4.12Å; F78-L81 HydrophobicContact CD1-CD2 3.79Å; F78-L81 HydrophobicContact CD1-CG 4.45Å; F78-L81 HydrophobicContact CD2-CD2 4.01Å; F78-L81 HydrophobicContact CE1-CD2 4.24Å; F78-L81 HydrophobicContact CE2-CD2 4.44Å; F78-L81 HydrophobicContact CG-CB 4.09Å; F78-L81 HydrophobicContact CG-CD2 3.65Å; F78-L81 HydrophobicContact CG-CG 4.5Å
79	K	96.9	Very high	98.1	Very high	123 Å²	123	40.3 Å²	40.3	54%	0.535	20%	0.204	S	C	.	.	S	Bend	trans	-97.2	-37.1	-174.5	-50.6	-51.1	176.1	-164.9	0	113.1	R5 L56 E76 K77	R5-K79 PolarHBondContact NE-O 2.65Å; R5-K79 PolarHBondContact NH2-O 3.23Å; L56-K79 PolarHBondContact O-N 2.82Å; E76-K79 PolarHBondContact O-NZ 3.02Å; K77-K79 WeakPolarHBondContact O-CD 3.39Å; K77-K79 WeakPolarHBondContact O-CE 3.42Å; K77-K79 PolarHBondContact O-N 3.12Å; K77-K79 PolarHBondContact O-NZ 2.74Å
80	A	96.6	Very high	98	Very high	34 Å²	34	37.1 Å²	37.1	28%	0.281	19%	0.188	S	C	.	.	S	Bend	trans	-102.1	-10.2	178.6	0	0	0	0	0	115.8	N57 A59 V60 R82	N57-A80 VanDerWaalsContact O-CB 3.3Å; N57-A80 WeakPolarHBondContact O-CB 3.35Å; N57-A80 PolarHBondContact O-N 2.89Å; A59-A80 CarbonylContact O-C 3.47Å; V60-A80 HydrophobicContact CG2-CB 4.5Å; A80-R82 PolarHBondContact O-N 3.45Å
81	L	98.3	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.202	C	C	.	.			trans	-62.9	130.8	-170.5	-171.3	66.1	0	0	0	112.5	R5 A59 A62 F78 I83 I84 I104	R5-L81 PolarHBondContact NH1-O 3.25Å; R5-L81 VanDerWaalsContact NH1-O 3.15Å; R5-L81 VanDerWaalsContact NH2-N 3.15Å; R5-L81 PolarHBondContact NH2-O 2.84Å; A59-L81 WeakPolarHBondContact O-CA 3.49Å; A59-L81 PolarHBondContact O-N 2.89Å; A62-L81 HydrophobicContact CB-CD1 3.79Å; F78-L81 HydrophobicContact CB-CB 3.61Å; F78-L81 HydrophobicContact CB-CD2 3.95Å; F78-L81 HydrophobicContact CB-CG 4.45Å; F78-L81 HydrophobicContact CD1-CB 4.12Å; F78-L81 HydrophobicContact CD1-CD2 3.79Å; F78-L81 HydrophobicContact CD1-CG 4.45Å; F78-L81 HydrophobicContact CD2-CD2 4.01Å; F78-L81 HydrophobicContact CE1-CD2 4.24Å; F78-L81 HydrophobicContact CE2-CD2 4.44Å; F78-L81 HydrophobicContact CG-CB 4.09Å; F78-L81 HydrophobicContact CG-CD2 3.65Å; F78-L81 HydrophobicContact CG-CG 4.5Å; L81-I83 VanDerWaalsContact CD1-O 3.32Å; L81-I83 WeakPolarHBondContact CD1-O 3.5Å; L81-I84 HydrophobicContact CD2-CD1 4.06Å; L81-I84 HydrophobicContact CD2-CG1 3.79Å; L81-I84 HydrophobicContact CG-CG1 4.42Å; L81-I104 HydrophobicContact CD2-CD1 4.28Å; L81-I104 HydrophobicContact CD2-CG2 4.32Å; L81-I104 HydrophobicContact CG-CG2 4.23Å
82	R	97.7	Very high	97.9	Very high	35 Å²	35	40.2 Å²	40.2	13%	0.132	20%	0.199	C	C	.	.			trans	-121.8	-24.6	-179.9	-71.2	175.9	59.7	165.7	2.5	113.7	M9 V60 A80 A105 I332	M9-R82 PolarHBondContact O-NH1 3.49Å; V60-R82 HydrophobicContact CG1-CB 4.38Å; V60-R82 HydrophobicContact CG1-CG 4.41Å; V60-R82 PolarHBondContact O-N 2.89Å; A80-R82 PolarHBondContact O-N 3.45Å; R82-A105 PolarHBondContact O-N 3.28Å; R82-I332 HydrophobicContact CB-CD1 4Å
83	I	98.7	Very high	97.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.7	178.3	-174.4	171	0	0	0	111.9	V60 G61 A62 L81 V85 A105 E323 I324 A327 I332 L336	V60-I83 PolarHBondContact O-N 3.03Å; G61-I83 CarbonylContact C-O 3.57Å; G61-I83 WeakPolarHBondContact CA-O 3.36Å; A62-I83 PolarHBondContact N-O 2.95Å; L81-I83 VanDerWaalsContact CD1-O 3.32Å; L81-I83 WeakPolarHBondContact CD1-O 3.5Å; I83-V85 HydrophobicContact CD1-CG2 3.67Å; I83-V85 HydrophobicContact CG1-CG2 3.86Å; I83-A105 CarbonylContact C-O 3.52Å; I83-A105 VanDerWaalsContact CA-O 3.27Å; I83-A105 WeakPolarHBondContact CA-O 3.31Å; I83-A105 HydrophobicContact CG1-CB 4.47Å; I83-E323 HydrophobicContact CD1-CG 4.47Å; I83-I324 HydrophobicContact CG2-CD1 3.92Å; I83-A327 HydrophobicContact CB-CB 4.3Å; I83-A327 HydrophobicContact CD1-CB 3.4Å; I83-A327 VanDerWaalsContact CD1-CB 3.4Å; I83-A327 HydrophobicContact CG1-CB 4.43Å; I83-A327 HydrophobicContact CG2-CB 3.89Å; I83-I332 HydrophobicContact CB-CD1 4.35Å; I83-L336 HydrophobicContact CD1-CD1 4.2Å; I83-L336 HydrophobicContact CD1-CD2 3.74Å
84	I	98.9	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.1	163.7	-58.8	159.4	0	0	0	107.7	A62 M64 L70 L75 L81 I94 I104 A105 V106 C107	A62-I84 HydrophobicContact CB-CG1 4.28Å; A62-I84 CarbonylContact O-C 3.14Å; A62-I84 WeakPolarHBondContact O-CA 3.37Å; M64-I84 HydrophobicContact CG-CG2 3.85Å; M64-I84 HydrophobicContact SD-CG2 3.62Å; L70-I84 HydrophobicContact CD1-CD1 3.81Å; L75-I84 HydrophobicContact CD2-CD1 3.51Å; L81-I84 HydrophobicContact CD2-CD1 4.06Å; L81-I84 HydrophobicContact CD2-CG1 3.79Å; L81-I84 HydrophobicContact CG-CG1 4.42Å; I84-I94 HydrophobicContact CD1-CG2 4.36Å; I84-I94 HydrophobicContact CG2-CD1 3.62Å; I84-I104 HydrophobicContact CD1-CG2 3.75Å; I84-I104 HydrophobicContact CG1-CG2 3.83Å; I84-A105 PolarHBondContact N-O 2.84Å; I84-V106 CarbonylContact O-C 3.57Å; I84-V106 WeakPolarHBondContact O-CA 3.3Å; I84-C107 PolarHBondContact O-N 2.93Å
85	V	98.9	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115.7	173.1	-174.8	0	0	0	0	109.2	A62 L63 M64 I83 I87 C107 A320 E323 I324	A62-V85 PolarHBondContact O-N 3.27Å; L63-V85 HydrophobicContact CD2-CB 4.03Å; L63-V85 HydrophobicContact CD2-CG1 4.39Å; M64-V85 PolarHBondContact N-O 2.94Å; M64-V85 VanDerWaalsContact N-O 3.17Å; I83-V85 HydrophobicContact CD1-CG2 3.67Å; I83-V85 HydrophobicContact CG1-CG2 3.86Å; V85-I87 PolarHBondContact O-N 3.28Å; V85-C107 HydrophobicContact CG1-CB 4.4Å; V85-C107 HydrophobicContact CG2-CB 4.24Å; V85-A320 HydrophobicContact CG1-CB 3.71Å; V85-E323 HydrophobicContact CG1-CB 4.17Å; V85-E323 HydrophobicContact CG1-CG 4.39Å; V85-E323 HydrophobicContact CG2-CB 4.15Å; V85-E323 HydrophobicContact CG2-CG 3.99Å; V85-I324 HydrophobicContact CB-CD1 4.25Å; V85-I324 HydrophobicContact CB-CG1 4.39Å; V85-I324 HydrophobicContact CG2-CD1 3.56Å; V85-I324 HydrophobicContact CG2-CG1 3.87Å
86	R	98.8	Very high	97.9	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.8	171.1	-81.8	-70.3	-65	91.9	9.3	109.8	M64 Y65 G88 G90 F91 N93 I94 C107 N108 V109	M64-R86 WeakPolarHBondContact O-CA 3.45Å; M64-R86 PolarHBondContact O-NH1 3.1Å; Y65-R86 VanDerWaalsContact C-CZ 3.45Å; Y65-R86 VanDerWaalsContact CA-NH1 3.27Å; Y65-R86 WeakPolarHBondContact O-CD 3.3Å; Y65-R86 PolarHBondContact O-NE 3.14Å; Y65-R86 VanDerWaalsContact O-NE 3.09Å; Y65-R86 PolarHBondContact O-NH1 3.34Å; R86-G88 PolarHBondContact O-N 3Å; R86-G88 VanDerWaalsContact O-N 3.09Å; R86-G90 PolarHBondContact NE-O 3Å; R86-G90 VanDerWaalsContact NE-O 3.15Å; R86-G90 PolarHBondContact NH2-O 3.12Å; R86-F91 HydrophobicContact CG-CB 4.22Å; R86-N93 WeakPolarHBondContact CD-OD1 3.47Å; R86-N93 PolarHBondContact NE-OD1 3.33Å; R86-I94 HydrophobicContact CG-CD1 3.52Å; R86-C107 PolarHBondContact N-O 2.81Å; R86-N108 HydrophobicContact CB-CB 4.34Å; R86-V109 PolarHBondContact O-N 2.85Å
87	I	98.8	Very high	97.8	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	-74.3	94.6	166.9	-51.7	175.2	0	0	0	106.9	L21 L63 M64 Y65 V85 M316 R317 A320	L21-I87 HydrophobicContact CD1-CD1 3.96Å; L63-I87 HydrophobicContact CB-CD1 4.2Å; L63-I87 HydrophobicContact CD2-CD1 4.23Å; L63-I87 HydrophobicContact CD2-CG1 4.07Å; M64-I87 PolarHBondContact O-N 2.84Å; Y65-I87 HydrophobicContact CD1-CB 3.84Å; Y65-I87 HydrophobicContact CD1-CG2 3.97Å; Y65-I87 HydrophobicContact CD2-CD1 4.42Å; Y65-I87 HydrophobicContact CE1-CB 3.73Å; Y65-I87 HydrophobicContact CE1-CD1 4.01Å; Y65-I87 HydrophobicContact CE1-CG1 4.48Å; Y65-I87 HydrophobicContact CE1-CG2 3.42Å; Y65-I87 VanDerWaalsContact CE1-CG2 3.42Å; Y65-I87 HydrophobicContact CE2-CD1 3.86Å; Y65-I87 HydrophobicContact CG-CB 4.49Å; V85-I87 PolarHBondContact O-N 3.28Å; I87-M316 HydrophobicContact CG2-CB 4.18Å; I87-M316 HydrophobicContact CG2-CG 3.57Å; I87-M316 HydrophobicContact CG2-SD 3.84Å; I87-R317 HydrophobicContact CG2-CG 4.06Å; I87-A320 HydrophobicContact CG1-CB 3.79Å
88	G	97.5	Very high	97.8	Very high	10 Å²	10	30.3 Å²	30.3	10%	0.103	16%	0.16	C	C	.	.	S	Bend	trans	126.5	177.8	-171.7	0	0	0	0	0	113.1	R86 V109	R86-G88 PolarHBondContact O-N 3Å; R86-G88 VanDerWaalsContact O-N 3.09Å; G88-V109 CarbonylContact C-O 3.53Å; G88-V109 VanDerWaalsContact C-O 3.3Å; G88-V109 PolarHBondContact O-N 2.88Å
89	S	96.8	Very high	97.8	Very high	57 Å²	57	30.2 Å²	30.2	40%	0.399	16%	0.159	S	C	.	.	S	Bend	trans	-88.1	-47.9	-168.4	56.6	0	0	0	0	114.7	N108 V109	S89-N108 PolarHBondContact O-ND2 3.07Å; S89-V109 PolarHBondContact N-O 3Å
90	G	95.6	Very high	97.8	Very high	14 Å²	14	24.3 Å²	24.3	14%	0.144	13%	0.134	C	C	.	.			trans	-82.4	139.6	-179.6	0	0	0	0	0	113.3	R86	R86-G90 PolarHBondContact NE-O 3Å; R86-G90 VanDerWaalsContact NE-O 3.15Å; R86-G90 PolarHBondContact NH2-O 3.12Å
91	F	97.8	Very high	97.8	Very high	68 Å²	68	26.6 Å²	26.6	30%	0.298	14%	0.141	S	C	.	.			trans	-125.8	14.8	-171.5	49.8	-99.7	0	0	0	112.8	R86 N93 I94 I96 N108 V340	R86-F91 HydrophobicContact CG-CB 4.22Å; F91-N93 PolarHBondContact O-N 3.27Å; F91-I94 PolarHBondContact O-N 3.15Å; F91-I96 HydrophobicContact CD2-CD1 4.08Å; F91-I96 HydrophobicContact CD2-CG2 3.94Å; F91-I96 HydrophobicContact CE2-CD1 3.82Å; F91-N108 HydrophobicContact CD1-CB 4.38Å; F91-V340 HydrophobicContact CD1-CB 4.32Å; F91-V340 HydrophobicContact CD1-CG1 3.98Å; F91-V340 HydrophobicContact CD1-CG2 4.14Å; F91-V340 HydrophobicContact CD2-CG2 4.35Å; F91-V340 HydrophobicContact CE1-CB 4.17Å; F91-V340 HydrophobicContact CE1-CG1 3.84Å; F91-V340 HydrophobicContact CE1-CG2 4.45Å; F91-V340 HydrophobicContact CG-CG2 4.09Å; F91-V340 HydrophobicContact CZ-CB 4.38Å; F91-V340 HydrophobicContact CZ-CG1 4.49Å
92	D	97.6	Very high	97.7	Very high	59 Å²	59	27.9 Å²	27.9	32%	0.316	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.8	177.9	47.8	-64.1	0	0	0	114	I94 L228 R255	D92-I94 PolarHBondContact O-N 3.07Å; D92-L228 HydrophobicContact CB-CB 4.02Å; D92-L228 HydrophobicContact CB-CD2 4.42Å; D92-L228 HydrophobicContact CB-CG 4.46Å; D92-R255 VanDerWaalsContact CG-NE 3.3Å; D92-R255 IonicContact OD1-CZ 2.99Å; D92-R255 IonicContact OD1-NE 2.68Å; D92-R255 PolarHBondContact OD1-NE 2.68Å; D92-R255 IonicContact OD1-NH2 3.32Å; D92-R255 WeakPolarHBondContact OD2-CD 3.48Å; D92-R255 IonicContact OD2-NE 3.25Å; D92-R255 PolarHBondContact OD2-NE 3.36Å
93	N	98.2	Very high	97.6	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.07	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	9.5	171.4	65.2	-43.4	0	0	0	114.2	M64 Y65 I68 T69 L70 R86 F91	M64-N93 WeakPolarHBondContact CE-ND2 3.49Å; Y65-N93 PolarHBondContact O-ND2 3.43Å; I68-N93 PolarHBondContact O-ND2 3.2Å; T69-N93 CarbonylContact C-O 3.53Å; T69-N93 WeakPolarHBondContact CA-O 3.25Å; L70-N93 PolarHBondContact N-O 2.94Å; R86-N93 WeakPolarHBondContact CD-OD1 3.47Å; R86-N93 PolarHBondContact NE-OD1 3.33Å; F91-N93 PolarHBondContact O-N 3.27Å
94	I	98.7	Very high	97.6	Very high	9 Å²	9	27 Å²	27	5%	0.046	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-131.3	131.5	175.6	-55.8	168.6	0	0	0	109	M64 L70 I84 R86 F91 D92 I96 V106	M64-I94 HydrophobicContact CE-CD1 4.02Å; M64-I94 HydrophobicContact CE-CG1 3.74Å; M64-I94 HydrophobicContact SD-CD1 3.81Å; M64-I94 HydrophobicContact SD-CG1 4.03Å; L70-I94 HydrophobicContact CB-CG2 4.48Å; I84-I94 HydrophobicContact CD1-CG2 4.36Å; I84-I94 HydrophobicContact CG2-CD1 3.62Å; R86-I94 HydrophobicContact CG-CD1 3.52Å; F91-I94 PolarHBondContact O-N 3.15Å; D92-I94 PolarHBondContact O-N 3.07Å; I94-I96 HydrophobicContact CB-CG2 4.19Å; I94-I96 HydrophobicContact CG2-CG2 4.22Å; I94-I96 WeakPolarHBondContact O-CG2 3.49Å; I94-I96 PolarHBondContact O-N 3.05Å; I94-V106 HydrophobicContact CD1-CG1 3.85Å; I94-V106 HydrophobicContact CG2-CG2 4.06Å
95	D	98.1	Very high	97.6	Very high	56 Å²	56	27 Å²	27	30%	0.299	15%	0.151	S	C	.	.			trans	-70.7	84.2	164.7	-177.2	-12.5	0	0	0	109.7	L70 L75 K97 S98 A99	L70-D95 PolarHBondContact O-N 3.38Å; L75-D95 HydrophobicContact CD1-CB 4.25Å; L75-D95 WeakPolarHBondContact CD1-O 3.27Å; D95-K97 PolarHBondContact O-N 3.06Å; D95-K97 PolarHBondContact OD1-N 2.95Å; D95-S98 VanDerWaalsContact CG-OG 3.22Å; D95-S98 PolarHBondContact O-N 3.39Å; D95-S98 PolarHBondContact OD1-N 3.45Å; D95-S98 PolarHBondContact OD1-OG 3.27Å; D95-S98 WeakPolarHBondContact OD2-CB 3.43Å; D95-S98 PolarHBondContact OD2-OG 3.29Å; D95-A99 WeakPolarHBondContact O-CB 3.4Å; D95-A99 PolarHBondContact O-N 3.29Å
96	I	97.9	Very high	97.5	Very high	33 Å²	33	27 Å²	27	17%	0.169	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-21.3	-175	67.3	168.1	0	0	0	113.4	F91 I94 G100 V106 V340 N341	F91-I96 HydrophobicContact CD2-CD1 4.08Å; F91-I96 HydrophobicContact CD2-CG2 3.94Å; F91-I96 HydrophobicContact CE2-CD1 3.82Å; I94-I96 HydrophobicContact CB-CG2 4.19Å; I94-I96 HydrophobicContact CG2-CG2 4.22Å; I94-I96 WeakPolarHBondContact O-CG2 3.49Å; I94-I96 PolarHBondContact O-N 3.05Å; I96-G100 PolarHBondContact O-N 3.26Å; I96-G100 VanDerWaalsContact O-N 3.13Å; I96-V106 HydrophobicContact CB-CG2 4.43Å; I96-V106 HydrophobicContact CG2-CB 4.16Å; I96-V106 HydrophobicContact CG2-CG1 3.96Å; I96-V106 HydrophobicContact CG2-CG2 4.18Å; I96-V340 HydrophobicContact CG2-CG2 4.45Å; I96-N341 HydrophobicContact CB-CB 4.05Å; I96-N341 WeakPolarHBondContact O-CB 3.31Å; I96-N341 PolarHBondContact O-ND2 3.38Å
97	K	96.6	Very high	97.5	Very high	104 Å²	104	26.8 Å²	26.8	45%	0.452	15%	0.15	S	C	.	.	H	α-helix	trans	-78.2	-53.3	178.1	177.7	178.8	176.7	-176.7	0	110	D95 A99 G100 D101	D95-K97 PolarHBondContact O-N 3.06Å; D95-K97 PolarHBondContact OD1-N 2.95Å; K97-A99 PolarHBondContact O-N 3.46Å; K97-G100 WeakPolarHBondContact O-CA 3.37Å; K97-G100 PolarHBondContact O-N 2.86Å; K97-D101 PolarHBondContact O-N 3.04Å
98	S	97.4	Very high	97.5	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.049	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-34.5	172.5	-65.2	0	0	0	0	111.8	R72 D95 G100 D101 L102	R72-S98 WeakPolarHBondContact CB-OG 3.19Å; D95-S98 VanDerWaalsContact CG-OG 3.22Å; D95-S98 PolarHBondContact O-N 3.39Å; D95-S98 PolarHBondContact OD1-N 3.45Å; D95-S98 PolarHBondContact OD1-OG 3.27Å; D95-S98 WeakPolarHBondContact OD2-CB 3.43Å; D95-S98 PolarHBondContact OD2-OG 3.29Å; S98-G100 VanDerWaalsContact C-N 3.33Å; S98-G100 PolarHBondContact O-N 3.21Å; S98-D101 PolarHBondContact O-N 3.1Å; S98-L102 WeakPolarHBondContact O-CB 3.42Å; S98-L102 WeakPolarHBondContact O-CD1 3.37Å; S98-L102 WeakPolarHBondContact O-CG 3.37Å; S98-L102 PolarHBondContact O-N 3.24Å
99	A	98.1	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-45.7	171.2	0	0	0	0	0	111.3	L75 D95 K97 L102 G103 I104 V106	L75-A99 HydrophobicContact CD1-CB 3.93Å; L75-A99 HydrophobicContact CD2-CB 4.44Å; D95-A99 WeakPolarHBondContact O-CB 3.4Å; D95-A99 PolarHBondContact O-N 3.29Å; K97-A99 PolarHBondContact O-N 3.46Å; A99-L102 CarbonylContact O-C 3.57Å; A99-L102 PolarHBondContact O-N 2.92Å; A99-G103 PolarHBondContact O-N 2.85Å; A99-I104 CarbonylContact C-O 3.59Å; A99-I104 VanDerWaalsContact C-O 3.31Å; A99-I104 HydrophobicContact CB-CB 4.15Å; A99-I104 HydrophobicContact CB-CG2 4.49Å; A99-I104 WeakPolarHBondContact O-CA 3.44Å; A99-I104 WeakPolarHBondContact O-CB 3.4Å; A99-I104 PolarHBondContact O-N 3.19Å; A99-V106 HydrophobicContact CB-CG2 3.67Å
100	G	97.3	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-46.6	176.2	0	0	0	0	0	113.2	I96 K97 S98 L102 G103 N341	I96-G100 PolarHBondContact O-N 3.26Å; I96-G100 VanDerWaalsContact O-N 3.13Å; K97-G100 WeakPolarHBondContact O-CA 3.37Å; K97-G100 PolarHBondContact O-N 2.86Å; S98-G100 VanDerWaalsContact C-N 3.33Å; S98-G100 PolarHBondContact O-N 3.21Å; G100-L102 PolarHBondContact O-N 3.3Å; G100-G103 PolarHBondContact O-N 3.31Å; G100-N341 PolarHBondContact N-ND2 2.81Å
101	D	95.5	Very high	97.4	Very high	81 Å²	81	27.3 Å²	27.3	43%	0.433	15%	0.152	S	C	.	.	H	α-helix	trans	-58.2	-33.2	175.1	-69.1	-13.5	0	0	0	112.2	K97 S98 G103	K97-D101 PolarHBondContact O-N 3.04Å; S98-D101 PolarHBondContact O-N 3.1Å; D101-G103 VanDerWaalsContact C-N 3.32Å
102	L	96.1	Very high	96.9	Very high	29 Å²	29	24.3 Å²	24.3	15%	0.152	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.4	177.6	-66.7	168.4	0	0	0	114.1	R5 L75 E76 S98 A99 G100 I104	R5-L102 PolarHBondContact NH1-O 3.14Å; L75-L102 HydrophobicContact CB-CD1 3.56Å; E76-L102 HydrophobicContact CG-CD1 3.83Å; E76-L102 HydrophobicContact CG-CD2 3.96Å; S98-L102 WeakPolarHBondContact O-CB 3.42Å; S98-L102 WeakPolarHBondContact O-CD1 3.37Å; S98-L102 WeakPolarHBondContact O-CG 3.37Å; S98-L102 PolarHBondContact O-N 3.24Å; A99-L102 CarbonylContact O-C 3.57Å; A99-L102 PolarHBondContact O-N 2.92Å; G100-L102 PolarHBondContact O-N 3.3Å; L102-I104 HydrophobicContact CB-CD1 3.99Å; L102-I104 HydrophobicContact CB-CG1 4.24Å
103	G	96.1	Very high	96.9	Very high	19 Å²	19	22 Å²	22	20%	0.196	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	20.8	-179.2	0	0	0	0	0	114.7	A99 G100 D101	A99-G103 PolarHBondContact O-N 2.85Å; G100-G103 PolarHBondContact O-N 3.31Å; D101-G103 VanDerWaalsContact C-N 3.32Å
104	I	98.4	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.133	C	C	.	.			trans	-101.9	114.7	-178.9	-54.2	166.2	0	0	0	109.1	L75 L81 I84 A99 L102 N341	L75-I104 HydrophobicContact CB-CD1 4.4Å; L75-I104 HydrophobicContact CD2-CD1 4.16Å; L81-I104 HydrophobicContact CD2-CD1 4.28Å; L81-I104 HydrophobicContact CD2-CG2 4.32Å; L81-I104 HydrophobicContact CG-CG2 4.23Å; I84-I104 HydrophobicContact CD1-CG2 3.75Å; I84-I104 HydrophobicContact CG1-CG2 3.83Å; A99-I104 CarbonylContact C-O 3.59Å; A99-I104 VanDerWaalsContact C-O 3.31Å; A99-I104 HydrophobicContact CB-CB 4.15Å; A99-I104 HydrophobicContact CB-CG2 4.49Å; A99-I104 WeakPolarHBondContact O-CA 3.44Å; A99-I104 WeakPolarHBondContact O-CB 3.4Å; A99-I104 PolarHBondContact O-N 3.19Å; L102-I104 HydrophobicContact CB-CD1 3.99Å; L102-I104 HydrophobicContact CB-CG1 4.24Å; I104-N341 PolarHBondContact O-ND2 3Å
105	A	98.6	Very high	97	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.7	172	0	0	0	0	0	110.7	R82 I83 I84 I332 L336 L345	R82-A105 PolarHBondContact O-N 3.28Å; I83-A105 CarbonylContact C-O 3.52Å; I83-A105 VanDerWaalsContact CA-O 3.27Å; I83-A105 WeakPolarHBondContact CA-O 3.31Å; I83-A105 HydrophobicContact CG1-CB 4.47Å; I84-A105 PolarHBondContact N-O 2.84Å; A105-I332 HydrophobicContact CB-CG2 3.67Å; A105-L336 HydrophobicContact CB-CD1 3.59Å; A105-L345 HydrophobicContact CB-CD1 3.74Å
106	V	98.8	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.1	172.4	-175	0	0	0	0	108.3	I84 I94 I96 A99 C339 V340 N341	I84-V106 CarbonylContact O-C 3.57Å; I84-V106 WeakPolarHBondContact O-CA 3.3Å; I94-V106 HydrophobicContact CD1-CG1 3.85Å; I94-V106 HydrophobicContact CG2-CG2 4.06Å; I96-V106 HydrophobicContact CB-CG2 4.43Å; I96-V106 HydrophobicContact CG2-CB 4.16Å; I96-V106 HydrophobicContact CG2-CG1 3.96Å; I96-V106 HydrophobicContact CG2-CG2 4.18Å; A99-V106 HydrophobicContact CB-CG2 3.67Å; V106-C339 CarbonylContact O-C 3.57Å; V106-C339 WeakPolarHBondContact O-CA 3.21Å; V106-V340 HydrophobicContact CB-CG2 4Å; V106-V340 HydrophobicContact CG1-CG2 3.84Å; V106-V340 WeakPolarHBondContact O-CG2 3.21Å; V106-V340 PolarHBondContact O-N 2.85Å; V106-N341 PolarHBondContact N-OD1 2.89Å
107	C	98.8	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.1	174.3	-53.4	0	0	0	0	111	I84 V85 R86 E323 N338	I84-C107 PolarHBondContact O-N 2.93Å; V85-C107 HydrophobicContact CG1-CB 4.4Å; V85-C107 HydrophobicContact CG2-CB 4.24Å; R86-C107 PolarHBondContact N-O 2.81Å; C107-E323 HydrophobicContact CB-CG 3.77Å; C107-N338 VanDerWaalsContact CA-O 3.22Å; C107-N338 WeakPolarHBondContact CA-O 3.43Å; C107-N338 WeakPolarHBondContact CB-O 3.43Å
108	N	98.6	Very high	97.2	Very high	15 Å²	15	21.6 Å²	21.6	8%	0.08	13%	0.127	C	C	.	.			trans	-130	175	174.4	71.1	-9.5	0	0	0	112.1	R86 S89 F91 P110 N338 V340	R86-N108 HydrophobicContact CB-CB 4.34Å; S89-N108 PolarHBondContact O-ND2 3.07Å; F91-N108 HydrophobicContact CD1-CB 4.38Å; N108-P110 WeakPolarHBondContact O-CD 3.42Å; N108-N338 PolarHBondContact N-O 2.85Å; N108-N338 WeakPolarHBondContact O-CB 3.47Å; N108-N338 PolarHBondContact O-ND2 3.33Å; N108-V340 HydrophobicContact CB-CG1 4.38Å
109	V	98.6	Very high	97.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.042	15%	0.146	C	C	.	.			trans	-114.9	91.6	169.4	-174	0	0	0	0	109	R86 G88 S89 A111 A112 M316 E319 A320	R86-V109 PolarHBondContact O-N 2.85Å; G88-V109 CarbonylContact C-O 3.53Å; G88-V109 VanDerWaalsContact C-O 3.3Å; G88-V109 PolarHBondContact O-N 2.88Å; S89-V109 PolarHBondContact N-O 3Å; V109-A111 PolarHBondContact O-N 3.19Å; V109-A112 HydrophobicContact CG1-CB 3.8Å; V109-M316 HydrophobicContact CB-CB 4.43Å; V109-M316 HydrophobicContact CG1-CB 4.11Å; V109-E319 HydrophobicContact CG1-CB 4.01Å; V109-E319 HydrophobicContact CG1-CG 4.09Å; V109-E319 HydrophobicContact CG2-CB 4.27Å; V109-E319 HydrophobicContact CG2-CG 4.35Å; V109-A320 HydrophobicContact CG2-CB 4.03Å
110	P	95.6	Very high	97.3	Very high	15 Å²	15	27 Å²	27	10%	0.097	16%	0.159	C	C	.	.			trans	-85.7	-3.6	-164.2	33.1	-37.1	0	0	0	115.3	N108 R173 N338	N108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-R173 WeakPolarHBondContact O-CD 3.47Å; P110-N338 WeakPolarHBondContact CD-ND2 3.39Å
111	A	93.8	Very high	97.3	Very high	59 Å²	59	27 Å²	27	49%	0.488	16%	0.159	S	C	.	.	S	Bend	trans	-116.3	-27.9	-169.1	0	0	0	0	0	115.2	V109 S113 V114	V109-A111 PolarHBondContact O-N 3.19Å; A111-S113 VanDerWaalsContact C-N 3.26Å; A111-S113 PolarHBondContact O-N 3.43Å; A111-V114 WeakPolarHBondContact O-CG2 3.5Å; A111-V114 PolarHBondContact O-N 3.44Å
112	A	87.1	Confident	97.5	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.041	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6	-159.8	0	0	0	0	0	116.9	V109 A312 E315 M316	V109-A112 HydrophobicContact CG1-CB 3.8Å; A112-A312 WeakPolarHBondContact O-CA 3.1Å; A112-A312 WeakPolarHBondContact O-CB 3.09Å; A112-E315 HydrophobicContact CB-CB 4.3Å; A112-E315 HydrophobicContact CB-CG 4.17Å; A112-M316 HydrophobicContact CB-CB 3.66Å
113	S	97.3	Very high	97.6	Very high	11 Å²	11	25.2 Å²	25.2	8%	0.077	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	24.2	178.2	61.4	0	0	0	0	113	A111 E115 E116 T117 W307	A111-S113 VanDerWaalsContact C-N 3.26Å; A111-S113 PolarHBondContact O-N 3.43Å; S113-E115 VanDerWaalsContact C-N 3.34Å; S113-E115 PolarHBondContact O-N 3.25Å; S113-E116 WeakPolarHBondContact CA-OE2 3.5Å; S113-T117 WeakPolarHBondContact O-CB 3.2Å; S113-T117 PolarHBondContact O-N 3Å; S113-T117 PolarHBondContact O-OG1 2.81Å; S113-W307 VanDerWaalsContact CB-O 3.31Å; S113-W307 WeakPolarHBondContact CB-O 3.39Å
114	V	98.8	Very high	97.8	Very high	29 Å²	29	24.8 Å²	24.8	18%	0.176	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-41	-176.6	168.6	0	0	0	0	111.6	A111 A118 R173 V174 A177	A111-V114 WeakPolarHBondContact O-CG2 3.5Å; A111-V114 PolarHBondContact O-N 3.44Å; V114-A118 WeakPolarHBondContact O-CB 3.26Å; V114-A118 PolarHBondContact O-N 3.25Å; V114-R173 HydrophobicContact CG1-CB 3.88Å; V114-R173 HydrophobicContact CG2-CB 3.76Å; V114-R173 HydrophobicContact CG2-CG 4.5Å; V114-V174 HydrophobicContact CG1-CG2 4.49Å; V114-A177 HydrophobicContact CG1-CB 4.27Å
115	E	98.8	Very high	97.8	Very high	110 Å²	110	24.8 Å²	24.8	51%	0.514	15%	0.146	S	C	.	.	H	α-helix	trans	-79.4	-43.2	-177.9	-61.9	-133.2	88.3	0	0	111.2	S113 T117 A118 D119 R181	S113-E115 VanDerWaalsContact C-N 3.34Å; S113-E115 PolarHBondContact O-N 3.25Å; E115-T117 VanDerWaalsContact C-N 3.31Å; E115-T117 PolarHBondContact O-N 3.07Å; E115-A118 CarbonylContact O-C 3.44Å; E115-A118 WeakPolarHBondContact O-CB 3.47Å; E115-A118 PolarHBondContact O-N 2.97Å; E115-D119 WeakPolarHBondContact O-CB 3.48Å; E115-D119 PolarHBondContact O-N 3.44Å; E115-R181 IonicContact OE1-CZ 3.36Å; E115-R181 IonicContact OE1-NH1 3.88Å; E115-R181 PolarHBondContact OE1-NH1 2.59Å; E115-R181 IonicContact OE1-NH2 2.76Å; E115-R181 PolarHBondContact OE1-NH2 2.87Å
116	E	98.9	Very high	97.8	Very high	51 Å²	51	26.8 Å²	26.8	24%	0.238	16%	0.157	C	C	.	.	H	α-helix	trans	-53.2	-46.8	172	-74.7	77.4	179.9	0	0	112	S113 A118 D119 S120 A306 S309 A312	S113-E116 WeakPolarHBondContact CA-OE2 3.5Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 2.82Å; E116-D119 PolarHBondContact O-N 3.21Å; E116-S120 VanDerWaalsContact O-CB 3.24Å; E116-S120 WeakPolarHBondContact O-CB 3.43Å; E116-S120 PolarHBondContact O-N 3.07Å; E116-S120 PolarHBondContact O-OG 3.34Å; E116-A306 CarbonylContact C-O 3.58Å; E116-A306 VanDerWaalsContact O-O 3.1Å; E116-S309 WeakPolarHBondContact OE1-CB 3.06Å; E116-S309 PolarHBondContact OE1-OG 3Å; E116-A312 HydrophobicContact CG-CB 4.29Å
117	T	98.9	Very high	97.8	Very high	15 Å²	15	28.1 Å²	28.1	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-36.4	179.7	-50	0	0	0	0	110.8	S113 E115 T121 V174 A306	S113-T117 WeakPolarHBondContact O-CB 3.2Å; S113-T117 PolarHBondContact O-N 3Å; S113-T117 PolarHBondContact O-OG1 2.81Å; E115-T117 VanDerWaalsContact C-N 3.31Å; E115-T117 PolarHBondContact O-N 3.07Å; T117-T121 WeakPolarHBondContact O-CB 3.41Å; T117-T121 PolarHBondContact O-N 3.03Å; T117-T121 PolarHBondContact O-OG1 2.94Å; T117-V174 HydrophobicContact CG2-CG1 3.87Å; T117-V174 HydrophobicContact CG2-CG2 4.18Å; T117-A306 VanDerWaalsContact CA-O 3.3Å; T117-A306 WeakPolarHBondContact CA-O 3.29Å; T117-A306 HydrophobicContact CG2-CB 4.24Å; T117-A306 PolarHBondContact N-O 2.87Å
118	A	98.9	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.8	-41.7	176.2	0	0	0	0	0	112.3	V114 E115 E116 T121 L122 V174 A177 V178	V114-A118 WeakPolarHBondContact O-CB 3.26Å; V114-A118 PolarHBondContact O-N 3.25Å; E115-A118 CarbonylContact O-C 3.44Å; E115-A118 WeakPolarHBondContact O-CB 3.47Å; E115-A118 PolarHBondContact O-N 2.97Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 2.82Å; A118-T121 WeakPolarHBondContact O-CB 3.44Å; A118-T121 PolarHBondContact O-N 2.91Å; A118-L122 WeakPolarHBondContact O-CD2 3.2Å; A118-L122 PolarHBondContact O-N 3.38Å; A118-V174 HydrophobicContact CB-CG1 4.49Å; A118-A177 HydrophobicContact CB-CB 3.6Å; A118-V178 HydrophobicContact CB-CG2 3.72Å
119	D	98.9	Very high	97.9	Very high	82 Å²	82	27.4 Å²	27.4	44%	0.439	16%	0.16	S	C	.	.	H	α-helix	trans	-66.5	-43.8	177.5	-73.2	-29.3	0	0	0	111.4	E115 E116 T121 L122 C123 R181	E115-D119 WeakPolarHBondContact O-CB 3.48Å; E115-D119 PolarHBondContact O-N 3.44Å; E116-D119 PolarHBondContact O-N 3.21Å; D119-T121 VanDerWaalsContact C-N 3.34Å; D119-T121 PolarHBondContact O-N 3.04Å; D119-L122 PolarHBondContact O-N 3.16Å; D119-C123 WeakPolarHBondContact O-CB 3.43Å; D119-C123 PolarHBondContact O-N 3.08Å; D119-R181 IonicContact OD1-CZ 2.75Å; D119-R181 IonicContact OD1-NE 2.78Å; D119-R181 PolarHBondContact OD1-NE 3.15Å; D119-R181 IonicContact OD1-NH2 3.22Å; D119-R181 PolarHBondContact OD1-NH2 3.42Å; D119-R181 IonicContact OD2-NH2 3.65Å; D119-R181 PolarHBondContact OD2-NH2 2.79Å
120	S	98.9	Very high	97.9	Very high	38 Å²	38	33.1 Å²	33.1	27%	0.266	18%	0.181	S	C	.	.	H	α-helix	trans	-60.4	-39.9	171.1	-68.4	0	0	0	0	112.3	E116 C123 H124 A306	E116-S120 VanDerWaalsContact O-CB 3.24Å; E116-S120 WeakPolarHBondContact O-CB 3.43Å; E116-S120 PolarHBondContact O-N 3.07Å; E116-S120 PolarHBondContact O-OG 3.34Å; S120-C123 WeakPolarHBondContact O-CB 3.23Å; S120-C123 PolarHBondContact O-N 3.33Å; S120-H124 PolarHBondContact O-CD2 3.1Å; S120-H124 PolarHBondContact O-N 3.38Å; S120-A306 WeakPolarHBondContact OG-CA 3.38Å; S120-A306 PolarHBondContact OG-O 3.37Å
121	T	98.9	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-46.7	173.8	-58.2	0	0	0	0	111.6	T117 A118 D119 C123 H124 I125 V178 S223 H225 V251 T253	T117-T121 WeakPolarHBondContact O-CB 3.41Å; T117-T121 PolarHBondContact O-N 3.03Å; T117-T121 PolarHBondContact O-OG1 2.94Å; A118-T121 WeakPolarHBondContact O-CB 3.44Å; A118-T121 PolarHBondContact O-N 2.91Å; D119-T121 VanDerWaalsContact C-N 3.34Å; D119-T121 PolarHBondContact O-N 3.04Å; T121-C123 VanDerWaalsContact C-N 3.3Å; T121-C123 PolarHBondContact O-N 3.08Å; T121-H124 WeakPolarHBondContact O-CB 3.43Å; T121-H124 PolarHBondContact O-N 2.98Å; T121-I125 HydrophobicContact CG2-CD1 3.98Å; T121-I125 HydrophobicContact CG2-CG1 4.48Å; T121-I125 WeakPolarHBondContact O-CG1 3.33Å; T121-I125 PolarHBondContact O-N 3.49Å; T121-V178 HydrophobicContact CG2-CG1 4.3Å; T121-V178 HydrophobicContact CG2-CG2 3.95Å; T121-S223 WeakPolarHBondContact CG2-OG 3.19Å; T121-H225 VanDerWaalsContact CG2-CE1 3.43Å; T121-H225 WeakPolarHBondContact CG2-CE1 3.44Å; T121-V251 HydrophobicContact CG2-CG1 4.12Å; T121-T253 WeakPolarHBondContact OG1-CG2 3.28Å; T121-T253 PolarHBondContact OG1-OG1 3Å
122	L	98.9	Very high	98.3	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-38.4	176.7	-94.9	-60.7	0	0	0	111.2	A118 D119 H124 I125 L126 V178 R181 A182 F185	A118-L122 WeakPolarHBondContact O-CD2 3.2Å; A118-L122 PolarHBondContact O-N 3.38Å; D119-L122 PolarHBondContact O-N 3.16Å; L122-H124 PolarHBondContact O-N 3.41Å; L122-I125 PolarHBondContact O-N 3.19Å; L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 WeakPolarHBondContact O-CG 3.36Å; L122-L126 PolarHBondContact O-N 3.26Å; L122-V178 HydrophobicContact CD2-CB 4.08Å; L122-V178 HydrophobicContact CD2-CG1 3.8Å; L122-V178 HydrophobicContact CD2-CG2 4Å; L122-R181 HydrophobicContact CD2-CB 3.84Å; L122-R181 HydrophobicContact CG-CB 3.9Å; L122-A182 HydrophobicContact CD1-CB 4.43Å; L122-F185 HydrophobicContact CD1-CD2 4.4Å; L122-F185 HydrophobicContact CD1-CE2 4.33Å
123	C	98.9	Very high	98.8	Very high	64 Å²	64	35.8 Å²	35.8	43%	0.432	19%	0.192	S	C	.	.	H	α-helix	trans	-57.5	-47.7	172.5	-171.5	0	0	0	0	111.1	D119 S120 T121 L126 N127	D119-C123 WeakPolarHBondContact O-CB 3.43Å; D119-C123 PolarHBondContact O-N 3.08Å; S120-C123 WeakPolarHBondContact O-CB 3.23Å; S120-C123 PolarHBondContact O-N 3.33Å; T121-C123 VanDerWaalsContact C-N 3.3Å; T121-C123 PolarHBondContact O-N 3.08Å; C123-L126 PolarHBondContact O-N 2.81Å; C123-N127 VanDerWaalsContact O-CB 3.32Å; C123-N127 WeakPolarHBondContact O-CB 3.39Å; C123-N127 VanDerWaalsContact O-CG 3.24Å; C123-N127 PolarHBondContact O-N 3.5Å; C123-N127 PolarHBondContact O-ND2 3.14Å; C123-N127 VanDerWaalsContact O-ND2 3.1Å; C123-N127 PolarHBondContact SG-ND2 2.81Å
124	H	98.9	Very high	98.9	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-47.4	175.5	-79.5	-36.6	0	0	0	113.3	S120 T121 L122 L126 N127 L128 V251 A277 T302	S120-H124 PolarHBondContact O-CD2 3.1Å; S120-H124 PolarHBondContact O-N 3.38Å; T121-H124 WeakPolarHBondContact O-CB 3.43Å; T121-H124 PolarHBondContact O-N 2.98Å; L122-H124 PolarHBondContact O-N 3.41Å; H124-L126 PolarHBondContact O-N 2.75Å; H124-N127 PolarHBondContact O-N 3.32Å; H124-L128 WeakPolarHBondContact O-CG 3.06Å; H124-L128 PolarHBondContact O-N 2.84Å; H124-V251 HydrophobicContact CB-CG1 3.96Å; H124-A277 HydrophobicContact CB-CB 3.72Å; H124-T302 PolarHBondContact CE1-OG1 2.91Å; H124-T302 PolarHBondContact NE2-OG1 3.39Å
125	I	98.9	Very high	98.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-49.7	174.8	-67	167.6	0	0	0	110.2	T121 L122 N127 L128 Y129 L166 F187 V251	T121-I125 HydrophobicContact CG2-CD1 3.98Å; T121-I125 HydrophobicContact CG2-CG1 4.48Å; T121-I125 WeakPolarHBondContact O-CG1 3.33Å; T121-I125 PolarHBondContact O-N 3.49Å; L122-I125 PolarHBondContact O-N 3.19Å; I125-N127 VanDerWaalsContact C-N 3.33Å; I125-N127 PolarHBondContact O-N 2.97Å; I125-L128 PolarHBondContact O-N 2.99Å; I125-Y129 HydrophobicContact CG2-CD2 3.84Å; I125-Y129 HydrophobicContact CG2-CE2 4.12Å; I125-Y129 WeakPolarHBondContact O-CD2 3.29Å; I125-Y129 PolarHBondContact O-N 3.45Å; I125-L166 HydrophobicContact CD1-CD1 3.87Å; I125-L166 HydrophobicContact CD1-CD2 4.06Å; I125-F187 HydrophobicContact CG2-CE2 3.88Å; I125-F187 HydrophobicContact CG2-CZ 3.61Å; I125-V251 HydrophobicContact CG1-CG2 3.83Å
126	L	98.9	Very high	98.9	Very high	43 Å²	43	37.5 Å²	37.5	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-35.8	179.8	-67.9	173.8	0	0	0	112.2	L122 C123 H124 Y129 R130 I161 F185	L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 WeakPolarHBondContact O-CG 3.36Å; L122-L126 PolarHBondContact O-N 3.26Å; C123-L126 PolarHBondContact O-N 2.81Å; H124-L126 PolarHBondContact O-N 2.75Å; L126-Y129 PolarHBondContact O-N 2.84Å; L126-R130 WeakPolarHBondContact O-CA 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.21Å; L126-R130 WeakPolarHBondContact O-CG 3.42Å; L126-R130 PolarHBondContact O-N 3.27Å; L126-I161 HydrophobicContact CD2-CD1 3.47Å; L126-I161 VanDerWaalsContact CD2-CD1 3.47Å; L126-F185 HydrophobicContact CD1-CE1 3.85Å; L126-F185 HydrophobicContact CD1-CZ 3.79Å; L126-F185 HydrophobicContact CD2-CD1 3.89Å; L126-F185 HydrophobicContact CD2-CE1 3.84Å; L126-F185 HydrophobicContact CD2-CZ 4.42Å; L126-F185 HydrophobicContact CG-CE1 4.48Å
127	N	98.9	Very high	98.9	Very high	27 Å²	27	39.5 Å²	39.5	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-38.9	175	-79.8	-36.7	0	0	0	112.2	C123 H124 I125 R131 T133 I300	C123-N127 VanDerWaalsContact O-CB 3.32Å; C123-N127 WeakPolarHBondContact O-CB 3.39Å; C123-N127 VanDerWaalsContact O-CG 3.24Å; C123-N127 PolarHBondContact O-N 3.5Å; C123-N127 PolarHBondContact O-ND2 3.14Å; C123-N127 VanDerWaalsContact O-ND2 3.1Å; C123-N127 PolarHBondContact SG-ND2 2.81Å; H124-N127 PolarHBondContact O-N 3.32Å; I125-N127 VanDerWaalsContact C-N 3.33Å; I125-N127 PolarHBondContact O-N 2.97Å; N127-R131 WeakPolarHBondContact O-CA 3.48Å; N127-R131 PolarHBondContact O-N 3.32Å; N127-T133 PolarHBondContact ND2-OG1 3.49Å; N127-T133 PolarHBondContact OD1-OG1 3.4Å; N127-I300 HydrophobicContact CB-CD1 3.78Å
128	L	98.9	Very high	98.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-50.7	173.2	-67.3	177.5	0	0	0	111.6	H124 I125 R130 W134 F249 V251 A277 I300	H124-L128 WeakPolarHBondContact O-CG 3.06Å; H124-L128 PolarHBondContact O-N 2.84Å; I125-L128 PolarHBondContact O-N 2.99Å; L128-R130 PolarHBondContact O-N 2.87Å; L128-W134 HydrophobicContact CD2-CH2 3.57Å; L128-W134 HydrophobicContact CD2-CZ2 4.08Å; L128-W134 HydrophobicContact CD2-CZ3 4.4Å; L128-F249 HydrophobicContact CB-CD1 3.77Å; L128-F249 HydrophobicContact CB-CD2 4.37Å; L128-F249 HydrophobicContact CB-CE1 3.78Å; L128-F249 HydrophobicContact CB-CE2 4.37Å; L128-F249 HydrophobicContact CB-CG 4.05Å; L128-F249 HydrophobicContact CB-CZ 4.07Å; L128-F249 HydrophobicContact CD1-CB 3.96Å; L128-F249 HydrophobicContact CD1-CD1 3.99Å; L128-F249 HydrophobicContact CD1-CG 4.15Å; L128-F249 HydrophobicContact CD2-CD1 4.27Å; L128-F249 HydrophobicContact CD2-CE1 4.42Å; L128-F249 HydrophobicContact CG-CD1 4.23Å; L128-F249 WeakPolarHBondContact O-CZ 3.45Å; L128-V251 HydrophobicContact CD1-CG2 3.74Å; L128-A277 HydrophobicContact CD1-CB 3.9Å; L128-A277 HydrophobicContact CD2-CB 4.29Å; L128-A277 HydrophobicContact CG-CB 4.08Å; L128-I300 HydrophobicContact CD2-CD1 4.09Å
129	Y	98.9	Very high	98.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-34.5	-178.2	-90.5	-83.7	0	0	0	114.2	I125 L126 A158 A159 I161 E164 F187 C221 F249	I125-Y129 HydrophobicContact CG2-CD2 3.84Å; I125-Y129 HydrophobicContact CG2-CE2 4.12Å; I125-Y129 WeakPolarHBondContact O-CD2 3.29Å; I125-Y129 PolarHBondContact O-N 3.45Å; L126-Y129 PolarHBondContact O-N 2.84Å; Y129-A158 CarbonylContact O-C 3.42Å; Y129-A158 WeakPolarHBondContact O-CA 3.33Å; Y129-A159 HydrophobicContact CD1-CB 3.81Å; Y129-A159 HydrophobicContact CE1-CB 4.12Å; Y129-A159 PolarHBondContact O-N 3.44Å; Y129-I161 HydrophobicContact CD1-CG1 3.71Å; Y129-I161 HydrophobicContact CD2-CG1 4.5Å; Y129-I161 HydrophobicContact CE1-CG1 4.44Å; Y129-I161 HydrophobicContact CG-CD1 4.44Å; Y129-I161 HydrophobicContact CG-CG1 3.77Å; Y129-E164 HydrophobicContact CE1-CB 4.35Å; Y129-E164 HydrophobicContact CE1-CG 3.71Å; Y129-E164 WeakPolarHBondContact CE1-OE2 3.46Å; Y129-E164 PolarHBondContact OH-OE2 3.28Å; Y129-F187 HydrophobicContact CD2-CZ 4Å; Y129-F187 AromaticContact CE2-CE1 3.8Å; Y129-F187 HydrophobicContact CE2-CE1 3.8Å; Y129-F187 AromaticContact CE2-CZ 3.65Å; Y129-F187 HydrophobicContact CE2-CZ 3.65Å; Y129-F187 AromaticContact CZ-CE1 3.85Å; Y129-C221 HydrophobicContact CE2-CB 3.87Å; Y129-F249 HydrophobicContact CD1-CE2 4.11Å; Y129-F249 AromaticContact CD2-CD2 3.99Å; Y129-F249 HydrophobicContact CD2-CD2 3.99Å; Y129-F249 HydrophobicContact CD2-CE2 4.02Å; Y129-F249 HydrophobicContact CE1-CD2 4.31Å; Y129-F249 HydrophobicContact CE1-CE2 4.06Å; Y129-F249 AromaticContact CE2-CD2 3.64Å; Y129-F249 HydrophobicContact CE2-CD2 3.64Å; Y129-F249 HydrophobicContact CE2-CE2 4.02Å; Y129-F249 HydrophobicContact CG-CD2 4.48Å; Y129-F249 HydrophobicContact CG-CE2 4.06Å; Y129-F249 AromaticContact CZ-CD2 3.8Å
130	R	98.9	Very high	98.8	Very high	128 Å²	128	50.3 Å²	50.3	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-108.4	-5.7	-174.1	-53.3	-52.9	-56.4	157.3	4.2	113.8	L126 L128 A132 A159	L126-R130 WeakPolarHBondContact O-CA 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.21Å; L126-R130 WeakPolarHBondContact O-CG 3.42Å; L126-R130 PolarHBondContact O-N 3.27Å; L128-R130 PolarHBondContact O-N 2.87Å; R130-A132 PolarHBondContact O-N 3.14Å; R130-A159 PolarHBondContact NH1-O 3.42Å
131	R	98.8	Very high	98.8	Very high	34 Å²	34	54.8 Å²	54.8	13%	0.128	27%	0.266	C	S	.	.			trans	58.7	20.3	179.5	-53.1	-173.5	70.1	82.6	-4.6	114.8	N127 T133 W134 L135 S156 A158 N298	N127-R131 WeakPolarHBondContact O-CA 3.48Å; N127-R131 PolarHBondContact O-N 3.32Å; R131-T133 PolarHBondContact O-N 2.87Å; R131-W134 HydrophobicContact CB-CE3 3.95Å; R131-W134 HydrophobicContact CG-CE3 3.92Å; R131-W134 HydrophobicContact CG-CZ3 4.18Å; R131-W134 VanDerWaalsContact CZ-CE3 3.46Å; R131-W134 VanDerWaalsContact NH1-CZ3 3.29Å; R131-W134 PolarHBondContact O-N 2.75Å; R131-W134 VanDerWaalsContact O-N 3.13Å; R131-L135 HydrophobicContact CB-CD1 4.38Å; R131-L135 HydrophobicContact CB-CG 4.33Å; R131-L135 WeakPolarHBondContact O-CG 3.34Å; R131-L135 PolarHBondContact O-N 3.14Å; R131-S156 WeakPolarHBondContact CD-O 3.34Å; R131-S156 PolarHBondContact NE-O 3.19Å; R131-S156 VanDerWaalsContact NE-O 3.08Å; R131-A158 HydrophobicContact CG-CB 4.02Å; R131-N298 PolarHBondContact NH2-ND2 3.25Å
132	A	98.9	Very high	98.7	Very high	50 Å²	50	57.2 Å²	57.2	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-44.9	-167.5	0	0	0	0	0	113.3	R130 W134 L135 H136	R130-A132 PolarHBondContact O-N 3.14Å; A132-W134 PolarHBondContact O-N 2.89Å; A132-L135 PolarHBondContact O-N 3.29Å; A132-H136 PolarHBondContact O-N 3.5Å
133	T	98.8	Very high	98.7	Very high	50 Å²	50	59.7 Å²	59.7	31%	0.307	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-46.1	174.4	-52.3	0	0	0	0	112.6	N127 R131 H136 Q137	N127-T133 PolarHBondContact ND2-OG1 3.49Å; N127-T133 PolarHBondContact OD1-OG1 3.4Å; R131-T133 PolarHBondContact O-N 2.87Å; T133-H136 PolarHBondContact O-N 3.48Å; T133-Q137 WeakPolarHBondContact O-CB 3.45Å; T133-Q137 PolarHBondContact O-N 2.85Å
134	W	98.8	Very high	98.6	Very high	35 Å²	35	66.7 Å²	66.7	13%	0.133	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-32.5	179.2	-60.4	-44	0	0	0	112.7	L128 R131 A132 Q137 A138 N298 L299 I300	L128-W134 HydrophobicContact CD2-CH2 3.57Å; L128-W134 HydrophobicContact CD2-CZ2 4.08Å; L128-W134 HydrophobicContact CD2-CZ3 4.4Å; R131-W134 HydrophobicContact CB-CE3 3.95Å; R131-W134 HydrophobicContact CG-CE3 3.92Å; R131-W134 HydrophobicContact CG-CZ3 4.18Å; R131-W134 VanDerWaalsContact CZ-CE3 3.46Å; R131-W134 VanDerWaalsContact NH1-CZ3 3.29Å; R131-W134 PolarHBondContact O-N 2.75Å; R131-W134 VanDerWaalsContact O-N 3.13Å; A132-W134 PolarHBondContact O-N 2.89Å; W134-Q137 PolarHBondContact O-N 3.23Å; W134-A138 WeakPolarHBondContact O-CB 3.18Å; W134-A138 PolarHBondContact O-N 3.28Å; W134-N298 HydrophobicContact CH2-CB 4.06Å; W134-N298 HydrophobicContact CZ2-CB 4.13Å; W134-N298 VanDerWaalsContact CZ2-O 3.29Å; W134-N298 WeakPolarHBondContact CZ2-O 3.48Å; W134-L299 PolarHBondContact NE1-O 2.82Å; W134-I300 HydrophobicContact CZ2-CD1 4.01Å; W134-I300 HydrophobicContact CZ2-CG1 3.71Å
135	L	98.8	Very high	98.4	Very high	49 Å²	49	68.6 Å²	68.6	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-67.2	-42.3	172.5	-71.4	170.5	0	0	0	111.6	R131 A132 Q137 A138 L139 V154 A155	R131-L135 HydrophobicContact CB-CD1 4.38Å; R131-L135 HydrophobicContact CB-CG 4.33Å; R131-L135 WeakPolarHBondContact O-CG 3.34Å; R131-L135 PolarHBondContact O-N 3.14Å; A132-L135 PolarHBondContact O-N 3.29Å; L135-Q137 VanDerWaalsContact C-N 3.35Å; L135-A138 PolarHBondContact O-N 2.86Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.38Å; L135-V154 HydrophobicContact CD2-CB 4.38Å; L135-V154 HydrophobicContact CD2-CG1 3.78Å; L135-V154 HydrophobicContact CD2-CG2 4.06Å; L135-A155 HydrophobicContact CD1-CB 4.35Å; L135-A155 HydrophobicContact CD2-CB 4.13Å
136	H	98.8	Very high	98.3	Very high	103 Å²	103	77 Å²	77	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-60.4	-45	171	165.2	-97.2	0	0	0	111.3	A132 T133 L139 R140	A132-H136 PolarHBondContact O-N 3.5Å; T133-H136 PolarHBondContact O-N 3.48Å; H136-L139 PolarHBondContact O-N 3.11Å; H136-R140 PolarHBondContact NE2-NE 3.25Å; H136-R140 WeakPolarHBondContact O-CG 3.33Å; H136-R140 PolarHBondContact O-N 2.96Å
137	Q	98.6	Very high	98.3	Very high	92 Å²	92	77 Å²	77	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-59.5	-49.4	176.8	178.7	177.9	-5.7	0	0	111.9	T133 W134 L135 L139 R140 E141	T133-Q137 WeakPolarHBondContact O-CB 3.45Å; T133-Q137 PolarHBondContact O-N 2.85Å; W134-Q137 PolarHBondContact O-N 3.23Å; L135-Q137 VanDerWaalsContact C-N 3.35Å; Q137-L139 VanDerWaalsContact C-N 3.26Å; Q137-L139 PolarHBondContact O-N 2.66Å; Q137-R140 CarbonylContact O-C 3.6Å; Q137-R140 WeakPolarHBondContact O-CA 3.49Å; Q137-R140 WeakPolarHBondContact O-CB 3.34Å; Q137-R140 PolarHBondContact O-N 2.91Å; Q137-E141 HydrophobicContact CG-CG 4.38Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.41Å; Q137-E141 PolarHBondContact NE2-OE1 3.45Å; Q137-E141 WeakPolarHBondContact O-CG 3.5Å; Q137-E141 PolarHBondContact O-N 3.2Å
138	A	98.5	Very high	98.2	Very high	14 Å²	14	79.5 Å²	79.5	12%	0.116	40%	0.395	C	S	.	.	H	α-helix	trans	-58.2	-37.7	179.3	0	0	0	0	0	112.4	W134 L135 E141 G142 T143 V154	W134-A138 WeakPolarHBondContact O-CB 3.18Å; W134-A138 PolarHBondContact O-N 3.28Å; L135-A138 PolarHBondContact O-N 2.86Å; A138-E141 PolarHBondContact O-N 3.4Å; A138-G142 PolarHBondContact O-N 3.21Å; A138-T143 WeakPolarHBondContact O-CB 3.43Å; A138-T143 PolarHBondContact O-N 3.37Å; A138-T143 PolarHBondContact O-OG1 2.77Å; A138-V154 HydrophobicContact CB-CG2 4.03Å
139	L	98.6	Very high	98.2	Very high	112 Å²	112	84.8 Å²	84.8	59%	0.586	42%	0.42	S	S	*	.	H	α-helix	trans	-69	-38.5	174.1	-69	174.1	0	0	0	112.5	L135 H136 Q137 E141 G142	L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.38Å; H136-L139 PolarHBondContact O-N 3.11Å; Q137-L139 VanDerWaalsContact C-N 3.26Å; Q137-L139 PolarHBondContact O-N 2.66Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 3.44Å; L139-G142 PolarHBondContact O-N 3.35Å; L139-G142 VanDerWaalsContact O-N 3.11Å
140	R	98.5	Very high	98.1	Very high	198 Å²	198	88.3 Å²	88.3	75%	0.747	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-34.9	173.4	-71.4	-68.8	-171.6	166.2	3.1	112.5	H136 Q137 G142	H136-R140 PolarHBondContact NE2-NE 3.25Å; H136-R140 WeakPolarHBondContact O-CG 3.33Å; H136-R140 PolarHBondContact O-N 2.96Å; Q137-R140 CarbonylContact O-C 3.6Å; Q137-R140 WeakPolarHBondContact O-CA 3.49Å; Q137-R140 WeakPolarHBondContact O-CB 3.34Å; Q137-R140 PolarHBondContact O-N 2.91Å; R140-G142 PolarHBondContact O-N 3.04Å
141	E	98.3	Very high	98.1	Very high	133 Å²	133	86.5 Å²	86.5	62%	0.621	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-2	174.3	-69.2	167.7	178	0	0	113	Q137 A138 L139	Q137-E141 HydrophobicContact CG-CG 4.38Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.41Å; Q137-E141 PolarHBondContact NE2-OE1 3.45Å; Q137-E141 WeakPolarHBondContact O-CG 3.5Å; Q137-E141 PolarHBondContact O-N 3.2Å; A138-E141 PolarHBondContact O-N 3.4Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 3.44Å
142	G	98.1	Very high	98.1	Very high	51 Å²	51	92.3 Å²	92.3	53%	0.526	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	8.8	173.4	0	0	0	0	0	115.5	A138 L139 R140 R144	A138-G142 PolarHBondContact O-N 3.21Å; L139-G142 PolarHBondContact O-N 3.35Å; L139-G142 VanDerWaalsContact O-N 3.11Å; R140-G142 PolarHBondContact O-N 3.04Å; G142-R144 PolarHBondContact O-N 3.25Å
143	T	97.8	Very high	98	Very high	60 Å²	60	97.1 Å²	97.1	37%	0.368	47%	0.471	S	S	.	.			trans	-57.3	128.1	174.7	-56.2	0	0	0	0	110.3	A138 V145 V154	A138-T143 WeakPolarHBondContact O-CB 3.43Å; A138-T143 PolarHBondContact O-N 3.37Å; A138-T143 PolarHBondContact O-OG1 2.77Å; T143-V145 HydrophobicContact CG2-CG2 4.12Å; T143-V154 HydrophobicContact CG2-CG2 4.34Å
144	R	96.6	Very high	98	Very high	211 Å²	211	96.9 Å²	96.9	80%	0.796	47%	0.47	S	S	*	.			trans	-104.9	125.7	178.3	-63.9	-174.9	-179.6	-169.5	-0.6	110.4	G142	G142-R144 PolarHBondContact O-N 3.25Å
145	V	96	Very high	98	Very high	50 Å²	50	96.4 Å²	96.4	30%	0.303	47%	0.473	S	S	.	.			trans	-123.1	115	-175.5	-173.6	0	0	0	0	108.2	T143 Q150 I151 V154	T143-V145 HydrophobicContact CG2-CG2 4.12Å; V145-Q150 HydrophobicContact CG1-CB 4Å; V145-I151 HydrophobicContact CG1-CB 4.27Å; V145-I151 HydrophobicContact CG1-CG1 3.41Å; V145-I151 VanDerWaalsContact CG1-CG1 3.41Å; V145-V154 HydrophobicContact CG1-CG1 4.4Å; V145-V154 HydrophobicContact CG2-CG1 4.02Å
146	Q	96.4	Very high	98	Very high	177 Å²	177	98 Å²	98	83%	0.827	49%	0.488	S	S	*	.			trans	-125.8	-45.1	-178.1	-67.5	-172.1	-15.5	0	0	112.7
147	S	97.9	Very high	97.9	Very high	43 Å²	43	94.4 Å²	94.4	30%	0.301	48%	0.48	S	S	.	.	S	Bend	trans	-88	160.3	179.9	75.6	0	0	0	0	112.6	E149 Q150 I151	S147-E149 PolarHBondContact O-N 2.81Å; S147-Q150 PolarHBondContact O-N 3.2Å; S147-Q150 WeakPolarHBondContact OG-CG 3.32Å; S147-Q150 PolarHBondContact OG-N 2.83Å; S147-I151 WeakPolarHBondContact O-CG1 3.35Å; S147-I151 PolarHBondContact O-N 3.25Å; S147-I151 VanDerWaalsContact O-N 3.09Å
148	V	97.8	Very high	97.9	Very high	80 Å²	80	91.8 Å²	91.8	49%	0.485	47%	0.474	S	S	.	.	H	α-helix	trans	-63.6	-30.9	175.7	-174.8	0	0	0	0	110.8	I151 R152	V148-I151 PolarHBondContact O-N 2.96Å; V148-R152 WeakPolarHBondContact O-CG 3.19Å; V148-R152 PolarHBondContact O-N 3.1Å
149	E	98.1	Very high	97.9	Very high	110 Å²	110	92.3 Å²	92.3	51%	0.514	48%	0.478	S	S	.	.	H	α-helix	trans	-65.3	-46.6	176.9	-66.6	56.9	-122.7	0	0	110.4	S147 I151 R152 E153	S147-E149 PolarHBondContact O-N 2.81Å; E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.37Å; E149-R152 PolarHBondContact O-N 3.42Å; E149-R152 VanDerWaalsContact O-N 3.16Å; E149-R152 IonicContact OE1-CZ 2.72Å; E149-R152 IonicContact OE1-NH1 3.73Å; E149-R152 PolarHBondContact OE1-NH1 3.34Å; E149-E153 WeakPolarHBondContact O-CB 3.46Å; E149-E153 PolarHBondContact O-N 3.35Å
150	Q	98.1	Very high	97.9	Very high	74 Å²	74	96.7 Å²	96.7	35%	0.346	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-36.5	174.5	-70.2	170.7	-31.7	0	0	112.1	V145 S147 E153 V154	V145-Q150 HydrophobicContact CG1-CB 4Å; S147-Q150 PolarHBondContact O-N 3.2Å; S147-Q150 WeakPolarHBondContact OG-CG 3.32Å; S147-Q150 PolarHBondContact OG-N 2.83Å; Q150-E153 PolarHBondContact O-N 3.27Å; Q150-V154 WeakPolarHBondContact O-CG1 3.49Å; Q150-V154 PolarHBondContact O-N 3.22Å
151	I	98.3	Very high	98	Very high	91 Å²	91	88.2 Å²	88.2	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-62	-45.4	173.6	-65.2	169.9	0	0	0	110.5	V145 S147 V148 E149 E153 A155	V145-I151 HydrophobicContact CG1-CB 4.27Å; V145-I151 HydrophobicContact CG1-CG1 3.41Å; V145-I151 VanDerWaalsContact CG1-CG1 3.41Å; S147-I151 WeakPolarHBondContact O-CG1 3.35Å; S147-I151 PolarHBondContact O-N 3.25Å; S147-I151 VanDerWaalsContact O-N 3.09Å; V148-I151 PolarHBondContact O-N 2.96Å; E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.37Å; I151-E153 VanDerWaalsContact C-N 3.33Å; I151-E153 PolarHBondContact O-N 3.27Å; I151-A155 WeakPolarHBondContact O-CB 3.43Å; I151-A155 PolarHBondContact O-N 3.35Å; I151-A155 VanDerWaalsContact O-N 3.08Å
152	R	98.1	Very high	98	Very high	156 Å²	156	90.5 Å²	90.5	59%	0.589	46%	0.459	S	S	*	.	H	α-helix	trans	-64.7	-37	177.8	-68.7	-178.9	-164.1	112.5	-1.2	112.2	V148 E149 S156	V148-R152 WeakPolarHBondContact O-CG 3.19Å; V148-R152 PolarHBondContact O-N 3.1Å; E149-R152 PolarHBondContact O-N 3.42Å; E149-R152 VanDerWaalsContact O-N 3.16Å; E149-R152 IonicContact OE1-CZ 2.72Å; E149-R152 IonicContact OE1-NH1 3.73Å; E149-R152 PolarHBondContact OE1-NH1 3.34Å; R152-S156 WeakPolarHBondContact O-CA 3.46Å; R152-S156 WeakPolarHBondContact O-CB 3.31Å; R152-S156 PolarHBondContact O-N 3.38Å; R152-S156 VanDerWaalsContact O-N 3.1Å
153	E	97.9	Very high	98	Very high	151 Å²	151	91 Å²	91	71%	0.706	46%	0.463	S	S	*	.	H	α-helix	trans	-67.9	-55.1	179.1	-174.6	174.6	-167.6	0	0	111.7	E149 Q150 I151 A155 S156	E149-E153 WeakPolarHBondContact O-CB 3.46Å; E149-E153 PolarHBondContact O-N 3.35Å; Q150-E153 PolarHBondContact O-N 3.27Å; I151-E153 VanDerWaalsContact C-N 3.33Å; I151-E153 PolarHBondContact O-N 3.27Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.13Å; E153-S156 WeakPolarHBondContact O-CB 3.08Å; E153-S156 PolarHBondContact O-N 3.34Å
154	V	98	Very high	98.1	Very high	44 Å²	44	90.7 Å²	90.7	27%	0.267	46%	0.458	S	S	.	.	H	α-helix	trans	-67.9	-31.1	-177.7	76.2	0	0	0	0	112.8	L135 A138 T143 V145 Q150 S156	L135-V154 HydrophobicContact CD2-CB 4.38Å; L135-V154 HydrophobicContact CD2-CG1 3.78Å; L135-V154 HydrophobicContact CD2-CG2 4.06Å; A138-V154 HydrophobicContact CB-CG2 4.03Å; T143-V154 HydrophobicContact CG2-CG2 4.34Å; V145-V154 HydrophobicContact CG1-CG1 4.4Å; V145-V154 HydrophobicContact CG2-CG1 4.02Å; Q150-V154 WeakPolarHBondContact O-CG1 3.49Å; Q150-V154 PolarHBondContact O-N 3.22Å; V154-S156 VanDerWaalsContact C-N 3.34Å
155	A	98.4	Very high	98.2	Very high	25 Å²	25	81.4 Å²	81.4	21%	0.207	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	9.8	174.4	0	0	0	0	0	113.5	L135 I151 E153 G157 A158	L135-A155 HydrophobicContact CD1-CB 4.35Å; L135-A155 HydrophobicContact CD2-CB 4.13Å; I151-A155 WeakPolarHBondContact O-CB 3.43Å; I151-A155 PolarHBondContact O-N 3.35Å; I151-A155 VanDerWaalsContact O-N 3.08Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.13Å; A155-G157 PolarHBondContact O-N 3.44Å; A155-A158 WeakPolarHBondContact O-CB 3.41Å; A155-A158 PolarHBondContact O-N 3.12Å
156	S	98.4	Very high	98.3	Very high	82 Å²	82	79 Å²	79	57%	0.573	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	137.5	-176.6	-174.5	0	0	0	0	111.8	R131 R152 E153 V154 A158	R131-S156 WeakPolarHBondContact CD-O 3.34Å; R131-S156 PolarHBondContact NE-O 3.19Å; R131-S156 VanDerWaalsContact NE-O 3.08Å; R152-S156 WeakPolarHBondContact O-CA 3.46Å; R152-S156 WeakPolarHBondContact O-CB 3.31Å; R152-S156 PolarHBondContact O-N 3.38Å; R152-S156 VanDerWaalsContact O-N 3.1Å; E153-S156 WeakPolarHBondContact O-CB 3.08Å; E153-S156 PolarHBondContact O-N 3.34Å; V154-S156 VanDerWaalsContact C-N 3.34Å; S156-A158 VanDerWaalsContact C-N 3.34Å
157	G	97.9	Very high	98.4	Very high	29 Å²	29	70.6 Å²	70.6	30%	0.299	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-3.4	-173.2	0	0	0	0	0	115.4	A155	A155-G157 PolarHBondContact O-N 3.44Å
158	A	98.7	Very high	98.5	Very high	37 Å²	37	68.6 Å²	68.6	31%	0.306	36%	0.357	S	S	.	.			trans	-66.3	134.3	167.9	0	0	0	0	0	110.5	Y129 R131 A155 S156	Y129-A158 CarbonylContact O-C 3.42Å; Y129-A158 WeakPolarHBondContact O-CA 3.33Å; R131-A158 HydrophobicContact CG-CB 4.02Å; A155-A158 WeakPolarHBondContact O-CB 3.41Å; A155-A158 PolarHBondContact O-N 3.12Å; S156-A158 VanDerWaalsContact C-N 3.34Å
159	A	98.6	Very high	98.5	Very high	24 Å²	24	65 Å²	65	20%	0.198	33%	0.334	C	S	.	.			trans	-118.2	162.2	-168.2	0	0	0	0	0	113.3	Y129 R130	Y129-A159 HydrophobicContact CD1-CB 3.81Å; Y129-A159 HydrophobicContact CE1-CB 4.12Å; Y129-A159 PolarHBondContact O-N 3.44Å; R130-A159 PolarHBondContact NH1-O 3.42Å
160	R	98.8	Very high	98.6	Very high	205 Å²	205	59.9 Å²	59.9	77%	0.774	31%	0.311	S	S	*	.			trans	-84.2	129.1	169.6	171.3	177.8	-70.7	-166.8	-1.1	108.1	E164	R160-E164 VanDerWaalsContact O-CG 3.27Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å
161	I	98.9	Very high	98.6	Very high	19 Å²	19	56.3 Å²	56.3	10%	0.097	30%	0.295	C	S	.	.			trans	-79.8	-38.3	-177.7	-67.1	160.8	0	0	0	112.7	L126 Y129 G163 E164 F185 F187	L126-I161 HydrophobicContact CD2-CD1 3.47Å; L126-I161 VanDerWaalsContact CD2-CD1 3.47Å; Y129-I161 HydrophobicContact CD1-CG1 3.71Å; Y129-I161 HydrophobicContact CD2-CG1 4.5Å; Y129-I161 HydrophobicContact CE1-CG1 4.44Å; Y129-I161 HydrophobicContact CG-CD1 4.44Å; Y129-I161 HydrophobicContact CG-CG1 3.77Å; I161-G163 PolarHBondContact O-N 3.05Å; I161-G163 VanDerWaalsContact O-N 3.11Å; I161-E164 VanDerWaalsContact O-CB 3.28Å; I161-E164 WeakPolarHBondContact O-CB 3.32Å; I161-E164 WeakPolarHBondContact O-CG 3.42Å; I161-E164 PolarHBondContact O-N 2.95Å; I161-F185 HydrophobicContact CG2-CB 3.85Å; I161-F187 HydrophobicContact CB-CZ 4.49Å; I161-F187 HydrophobicContact CG1-CZ 4.39Å; I161-F187 HydrophobicContact CG2-CD1 4.1Å; I161-F187 HydrophobicContact CG2-CD2 3.58Å; I161-F187 HydrophobicContact CG2-CE1 3.88Å; I161-F187 HydrophobicContact CG2-CE2 3.34Å; I161-F187 HydrophobicContact CG2-CG 3.96Å; I161-F187 HydrophobicContact CG2-CZ 3.5Å; I161-F187 VanDerWaalsContact CG2-CZ 3.5Å
162	R	98.8	Very high	98.6	Very high	182 Å²	182	53.4 Å²	53.4	69%	0.687	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	118.1	-176.2	179.2	178.5	-62.1	-73.3	-4.5	111.1	G186	R162-G186 WeakPolarHBondContact CA-O 3.3Å
163	G	98.5	Very high	98.6	Very high	60 Å²	60	53.2 Å²	53.2	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.5	-12.1	-179	0	0	0	0	0	114.6	I161 G186	I161-G163 PolarHBondContact O-N 3.05Å; I161-G163 VanDerWaalsContact O-N 3.11Å; G163-G186 PolarHBondContact N-O 2.87Å
164	E	98.9	Very high	98.6	Very high	55 Å²	55	47.4 Å²	47.4	26%	0.257	26%	0.261	S	S	.	.			trans	-71	153.4	173.8	-62	-84.4	120.8	0	0	111	Y129 R160 I161 F187 N188 D220	Y129-E164 HydrophobicContact CE1-CB 4.35Å; Y129-E164 HydrophobicContact CE1-CG 3.71Å; Y129-E164 WeakPolarHBondContact CE1-OE2 3.46Å; Y129-E164 PolarHBondContact OH-OE2 3.28Å; R160-E164 VanDerWaalsContact O-CG 3.27Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; I161-E164 VanDerWaalsContact O-CB 3.28Å; I161-E164 WeakPolarHBondContact O-CB 3.32Å; I161-E164 WeakPolarHBondContact O-CG 3.42Å; I161-E164 PolarHBondContact O-N 2.95Å; E164-F187 HydrophobicContact CB-CD1 3.88Å; E164-F187 HydrophobicContact CB-CE1 3.84Å; E164-F187 WeakPolarHBondContact O-CA 3.4Å; E164-N188 PolarHBondContact O-N 3.42Å; E164-D220 HydrophobicContact CB-CB 4.45Å; E164-D220 WeakPolarHBondContact OE2-CB 3.06Å
165	T	98.9	Very high	98.6	Very high	16 Å²	16	45.3 Å²	45.3	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.2	177.3	-58	0	0	0	0	111.8	N188 L190 H218 D220 C221	T165-N188 CarbonylContact C-O 3.5Å; T165-N188 WeakPolarHBondContact CA-O 3.5Å; T165-L190 HydrophobicContact CG2-CB 4.29Å; T165-L190 HydrophobicContact CG2-CD1 3.8Å; T165-L190 HydrophobicContact CG2-CD2 4.2Å; T165-L190 HydrophobicContact CG2-CG 4.31Å; T165-H218 VanDerWaalsContact CB-O 3.28Å; T165-H218 WeakPolarHBondContact CB-O 3.15Å; T165-H218 VanDerWaalsContact CG2-O 3.27Å; T165-H218 WeakPolarHBondContact CG2-O 3.4Å; T165-D220 PolarHBondContact N-OD2 2.86Å; T165-D220 PolarHBondContact O-N 2.91Å; T165-C221 PolarHBondContact O-N 3.35Å; T165-C221 VanDerWaalsContact O-N 3.12Å
166	L	98.9	Very high	98.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.4	170.9	178.6	64.6	0	0	0	109.6	I125 I168 V178 A182 F187 N188 L190 C221	I125-L166 HydrophobicContact CD1-CD1 3.87Å; I125-L166 HydrophobicContact CD1-CD2 4.06Å; L166-I168 HydrophobicContact CD2-CD1 4.45Å; L166-I168 HydrophobicContact CG-CG1 4.33Å; L166-V178 HydrophobicContact CD2-CG1 4.21Å; L166-A182 HydrophobicContact CD2-CB 3.54Å; L166-F187 HydrophobicContact CB-CB 4.26Å; L166-F187 HydrophobicContact CB-CD1 3.83Å; L166-F187 HydrophobicContact CB-CE1 4.32Å; L166-F187 HydrophobicContact CB-CG 4.06Å; L166-N188 PolarHBondContact N-O 3.34Å; L166-L190 PolarHBondContact O-N 2.68Å; L166-C221 WeakPolarHBondContact CA-O 3.38Å; L166-C221 HydrophobicContact CD1-CB 3.98Å
167	G	98.9	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.5	174.2	0	0	0	0	0	112	L190 S219 C221 V222 S223	G167-L190 WeakPolarHBondContact CA-O 3.41Å; G167-S219 WeakPolarHBondContact CA-OG 3.43Å; G167-S219 PolarHBondContact N-OG 3.38Å; G167-C221 PolarHBondContact N-O 2.95Å; G167-V222 CarbonylContact O-C 3.58Å; G167-V222 WeakPolarHBondContact O-CA 3.36Å; G167-S223 PolarHBondContact O-N 3.13Å
168	I	98.9	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	177.8	-69.4	171.3	0	0	0	110.4	L166 G170 L171 V178 A179 V189 L190 F191 Y192 L215	L166-I168 HydrophobicContact CD2-CD1 4.45Å; L166-I168 HydrophobicContact CG-CG1 4.33Å; I168-G170 VanDerWaalsContact CG2-O 3.25Å; I168-G170 WeakPolarHBondContact CG2-O 3.5Å; I168-L171 HydrophobicContact CG2-CD1 4.09Å; I168-V178 HydrophobicContact CD1-CB 4.49Å; I168-V178 HydrophobicContact CD1-CG1 4.03Å; I168-A179 HydrophobicContact CD1-CB 3.78Å; I168-V189 HydrophobicContact CD1-CG1 3.79Å; I168-L190 PolarHBondContact N-O 3.01Å; I168-F191 HydrophobicContact CB-CB 4.06Å; I168-F191 HydrophobicContact CG2-CB 4.38Å; I168-F191 CarbonylContact O-C 3.55Å; I168-F191 WeakPolarHBondContact O-CA 3.45Å; I168-F191 WeakPolarHBondContact O-CB 3.37Å; I168-Y192 PolarHBondContact O-N 3.48Å; I168-L215 VanDerWaalsContact O-CD1 3.26Å; I168-L215 WeakPolarHBondContact O-CD1 3.48Å
169	I	98.9	Very high	98.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	108.2	173.7	-64.3	173	0	0	0	108.3	L212 L215 L216 V222 S223 L224 H225 C226 L235 I236	I169-L212 HydrophobicContact CD1-CD1 3.46Å; I169-L212 VanDerWaalsContact CD1-CD1 3.46Å; I169-L212 HydrophobicContact CG1-CD1 4.1Å; I169-L215 HydrophobicContact CD1-CD2 4.02Å; I169-L215 HydrophobicContact CG1-CD1 3.98Å; I169-L215 HydrophobicContact CG1-CD2 3.76Å; I169-L215 HydrophobicContact CG1-CG 4.49Å; I169-L216 HydrophobicContact CD1-CD2 4.17Å; I169-V222 HydrophobicContact CD1-CG1 3.66Å; I169-V222 HydrophobicContact CG1-CG1 4.27Å; I169-S223 PolarHBondContact N-O 3.34Å; I169-L224 HydrophobicContact CB-CD2 3.91Å; I169-L224 HydrophobicContact CD1-CD2 3.62Å; I169-L224 HydrophobicContact CG1-CD2 4.25Å; I169-L224 HydrophobicContact CG2-CD2 4.29Å; I169-H225 CarbonylContact O-C 3.57Å; I169-H225 WeakPolarHBondContact O-CA 3.39Å; I169-H225 PolarHBondContact O-N 2.91Å; I169-C226 PolarHBondContact O-N 3.49Å; I169-L235 HydrophobicContact CG2-CD2 3.63Å; I169-I236 HydrophobicContact CD1-CD1 4.18Å
170	G	98.7	Very high	98.8	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.031	22%	0.217	C	C	.	.			trans	89.6	110.3	-170.9	0	0	0	0	0	112.2	I168 Y192 D193 H225	I168-G170 VanDerWaalsContact CG2-O 3.25Å; I168-G170 WeakPolarHBondContact CG2-O 3.5Å; G170-Y192 PolarHBondContact N-O 3.06Å; G170-D193 WeakPolarHBondContact CA-OD2 3.46Å; G170-H225 WeakPolarHBondContact O-CB 3.32Å
171	L	98.6	Very high	98.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.			trans	-104	43.9	180	-163	80.3	0	0	0	111.3	I168 Q176 A179 F191 D193 L196 V200 L204 L206	I168-L171 HydrophobicContact CG2-CD1 4.09Å; L171-Q176 HydrophobicContact CD1-CG 4.3Å; L171-Q176 HydrophobicContact CD2-CG 4.33Å; L171-Q176 HydrophobicContact CG-CG 3.81Å; L171-Q176 WeakPolarHBondContact O-CG 3.38Å; L171-Q176 PolarHBondContact O-NE2 2.87Å; L171-A179 HydrophobicContact CD1-CB 4.41Å; L171-F191 HydrophobicContact CB-CB 4.35Å; L171-F191 HydrophobicContact CB-CD2 3.48Å; L171-F191 VanDerWaalsContact CB-CD2 3.48Å; L171-F191 HydrophobicContact CB-CE2 3.9Å; L171-F191 HydrophobicContact CB-CG 3.99Å; L171-F191 HydrophobicContact CD1-CB 4.07Å; L171-F191 HydrophobicContact CD1-CD1 4.44Å; L171-F191 HydrophobicContact CD1-CD2 4.44Å; L171-F191 HydrophobicContact CD1-CG 4.08Å; L171-F191 HydrophobicContact CD2-CD1 3.86Å; L171-F191 HydrophobicContact CD2-CD2 3.77Å; L171-F191 HydrophobicContact CD2-CE1 3.75Å; L171-F191 HydrophobicContact CD2-CE2 3.66Å; L171-F191 HydrophobicContact CD2-CG 3.86Å; L171-F191 HydrophobicContact CD2-CZ 3.64Å; L171-F191 HydrophobicContact CG-CD2 4.07Å; L171-F191 HydrophobicContact CG-CE2 4.35Å; L171-F191 HydrophobicContact CG-CG 4.17Å; L171-D193 HydrophobicContact CB-CB 4.42Å; L171-D193 PolarHBondContact N-OD2 3.09Å; L171-L196 HydrophobicContact CB-CD1 3.78Å; L171-L196 WeakPolarHBondContact O-CD1 3.42Å; L171-V200 HydrophobicContact CD2-CG2 4.25Å; L171-L204 HydrophobicContact CD2-CD1 4.24Å; L171-L206 HydrophobicContact CD1-CD1 3.95Å; L171-L206 HydrophobicContact CD2-CD1 3.95Å
172	G	97.8	Very high	98.8	Very high	30 Å²	30	36.4 Å²	36.4	31%	0.309	19%	0.186	S	C	.	.	S	Bend	trans	-72.8	-165	167.6	0	0	0	0	0	112.6	V174 G175 Q176	G172-V174 PolarHBondContact O-N 3.24Å; G172-G175 PolarHBondContact O-N 3.41Å; G172-G175 VanDerWaalsContact O-N 3.14Å; G172-Q176 WeakPolarHBondContact O-CG 3.33Å; G172-Q176 PolarHBondContact O-N 2.99Å
173	R	98.5	Very high	98.7	Very high	151 Å²	151	31.8 Å²	31.8	57%	0.57	17%	0.171	S	C	*	.	H	α-helix	trans	-50.1	-52.2	-174.4	-62.9	178.3	-176.6	82.6	1.3	113.5	P110 V114 A177	P110-R173 WeakPolarHBondContact O-CD 3.47Å; V114-R173 HydrophobicContact CG1-CB 3.88Å; V114-R173 HydrophobicContact CG2-CB 3.76Å; V114-R173 HydrophobicContact CG2-CG 4.5Å; R173-A177 PolarHBondContact O-N 3.02Å; R173-A177 VanDerWaalsContact O-N 3.14Å
174	V	98.8	Very high	98.7	Very high	29 Å²	29	33 Å²	33	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-67.4	-45.4	179.2	179	0	0	0	0	111.1	V114 T117 A118 G172 Q176 A177 V178	V114-V174 HydrophobicContact CG1-CG2 4.49Å; T117-V174 HydrophobicContact CG2-CG1 3.87Å; T117-V174 HydrophobicContact CG2-CG2 4.18Å; A118-V174 HydrophobicContact CB-CG1 4.49Å; G172-V174 PolarHBondContact O-N 3.24Å; V174-Q176 VanDerWaalsContact C-N 3.29Å; V174-Q176 PolarHBondContact O-N 2.99Å; V174-A177 PolarHBondContact O-N 3.35Å; V174-A177 VanDerWaalsContact O-N 3.14Å; V174-V178 HydrophobicContact CG1-CG2 4.16Å; V174-V178 WeakPolarHBondContact O-CB 3.24Å; V174-V178 WeakPolarHBondContact O-CG2 3.36Å; V174-V178 PolarHBondContact O-N 2.95Å
175	G	98.8	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-38.9	178.4	0	0	0	0	0	113.2	G172 A179	G172-G175 PolarHBondContact O-N 3.41Å; G172-G175 VanDerWaalsContact O-N 3.14Å; G175-A179 VanDerWaalsContact O-CB 3.3Å; G175-A179 WeakPolarHBondContact O-CB 3.46Å; G175-A179 PolarHBondContact O-N 3.21Å
176	Q	98.8	Very high	98.7	Very high	65 Å²	65	34.5 Å²	34.5	30%	0.304	18%	0.184	S	C	.	.	H	α-helix	trans	-67.5	-45.2	174.2	-65.5	175.5	28.2	0	0	111.9	L171 G172 V174 V178 A179 L180 L204	L171-Q176 HydrophobicContact CD1-CG 4.3Å; L171-Q176 HydrophobicContact CD2-CG 4.33Å; L171-Q176 HydrophobicContact CG-CG 3.81Å; L171-Q176 WeakPolarHBondContact O-CG 3.38Å; L171-Q176 PolarHBondContact O-NE2 2.87Å; G172-Q176 WeakPolarHBondContact O-CG 3.33Å; G172-Q176 PolarHBondContact O-N 2.99Å; V174-Q176 VanDerWaalsContact C-N 3.29Å; V174-Q176 PolarHBondContact O-N 2.99Å; Q176-V178 VanDerWaalsContact C-N 3.34Å; Q176-V178 PolarHBondContact O-N 3.16Å; Q176-A179 PolarHBondContact O-N 3.41Å; Q176-L180 WeakPolarHBondContact O-CG 3.22Å; Q176-L180 PolarHBondContact O-N 3.27Å; Q176-L204 HydrophobicContact CB-CD1 4.2Å; Q176-L204 HydrophobicContact CG-CD1 3.71Å
177	A	98.9	Very high	98.7	Very high	10 Å²	10	35 Å²	35	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-41.3	177.2	0	0	0	0	0	112.2	V114 A118 R173 V174 R181	V114-A177 HydrophobicContact CG1-CB 4.27Å; A118-A177 HydrophobicContact CB-CB 3.6Å; R173-A177 PolarHBondContact O-N 3.02Å; R173-A177 VanDerWaalsContact O-N 3.14Å; V174-A177 PolarHBondContact O-N 3.35Å; V174-A177 VanDerWaalsContact O-N 3.14Å; A177-R181 WeakPolarHBondContact O-CD 3.37Å; A177-R181 VanDerWaalsContact O-CG 3.32Å; A177-R181 WeakPolarHBondContact O-CG 3.47Å; A177-R181 PolarHBondContact O-N 2.87Å
178	V	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-46.9	173.4	168.1	0	0	0	0	111.4	A118 T121 L122 L166 I168 V174 Q176 L180 R181 A182	A118-V178 HydrophobicContact CB-CG2 3.72Å; T121-V178 HydrophobicContact CG2-CG1 4.3Å; T121-V178 HydrophobicContact CG2-CG2 3.95Å; L122-V178 HydrophobicContact CD2-CB 4.08Å; L122-V178 HydrophobicContact CD2-CG1 3.8Å; L122-V178 HydrophobicContact CD2-CG2 4Å; L166-V178 HydrophobicContact CD2-CG1 4.21Å; I168-V178 HydrophobicContact CD1-CB 4.49Å; I168-V178 HydrophobicContact CD1-CG1 4.03Å; V174-V178 HydrophobicContact CG1-CG2 4.16Å; V174-V178 WeakPolarHBondContact O-CB 3.24Å; V174-V178 WeakPolarHBondContact O-CG2 3.36Å; V174-V178 PolarHBondContact O-N 2.95Å; Q176-V178 VanDerWaalsContact C-N 3.34Å; Q176-V178 PolarHBondContact O-N 3.16Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 2.84Å; V178-R181 PolarHBondContact O-N 2.86Å; V178-A182 VanDerWaalsContact O-CB 3.27Å; V178-A182 WeakPolarHBondContact O-CB 3.11Å; V178-A182 PolarHBondContact O-N 3.39Å
179	A	98.9	Very high	98.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-58.2	-44	179	0	0	0	0	0	112.7	I168 L171 G175 Q176 K183 V189 L206	I168-A179 HydrophobicContact CD1-CB 3.78Å; L171-A179 HydrophobicContact CD1-CB 4.41Å; G175-A179 VanDerWaalsContact O-CB 3.3Å; G175-A179 WeakPolarHBondContact O-CB 3.46Å; G175-A179 PolarHBondContact O-N 3.21Å; Q176-A179 PolarHBondContact O-N 3.41Å; A179-K183 PolarHBondContact O-N 2.94Å; A179-V189 HydrophobicContact CB-CG1 3.88Å; A179-L206 HydrophobicContact CB-CD1 3.77Å; A179-L206 HydrophobicContact CB-CD2 4.04Å
180	L	98.7	Very high	98.7	Very high	99 Å²	99	39.2 Å²	39.2	52%	0.518	21%	0.208	S	C	.	.	H	α-helix	trans	-64.2	-42.7	178.4	-69.7	172.9	0	0	0	112	Q176 V178 L204	Q176-L180 WeakPolarHBondContact O-CG 3.22Å; Q176-L180 PolarHBondContact O-N 3.27Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 2.84Å; L180-L204 HydrophobicContact CD2-CD2 4.32Å
181	R	98.9	Very high	98.7	Very high	59 Å²	59	39 Å²	39	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-45.4	176.9	-70.8	161.6	160.8	76.1	-5.5	112.1	E115 D119 L122 A177 V178 K183 A184 F185	E115-R181 IonicContact OE1-CZ 3.36Å; E115-R181 IonicContact OE1-NH1 3.88Å; E115-R181 PolarHBondContact OE1-NH1 2.59Å; E115-R181 IonicContact OE1-NH2 2.76Å; E115-R181 PolarHBondContact OE1-NH2 2.87Å; D119-R181 IonicContact OD1-CZ 2.75Å; D119-R181 IonicContact OD1-NE 2.78Å; D119-R181 PolarHBondContact OD1-NE 3.15Å; D119-R181 IonicContact OD1-NH2 3.22Å; D119-R181 PolarHBondContact OD1-NH2 3.42Å; D119-R181 IonicContact OD2-NH2 3.65Å; D119-R181 PolarHBondContact OD2-NH2 2.79Å; L122-R181 HydrophobicContact CD2-CB 3.84Å; L122-R181 HydrophobicContact CG-CB 3.9Å; A177-R181 WeakPolarHBondContact O-CD 3.37Å; A177-R181 VanDerWaalsContact O-CG 3.32Å; A177-R181 WeakPolarHBondContact O-CG 3.47Å; A177-R181 PolarHBondContact O-N 2.87Å; V178-R181 PolarHBondContact O-N 2.86Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 3.12Å; R181-A184 WeakPolarHBondContact O-CB 3.49Å; R181-A184 PolarHBondContact O-N 3.19Å; R181-F185 WeakPolarHBondContact O-CD2 3.42Å
182	A	98.8	Very high	98.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-35.5	-177.6	0	0	0	0	0	113.3	L122 L166 V178 A184 F185 F187 V189	L122-A182 HydrophobicContact CD1-CB 4.43Å; L166-A182 HydrophobicContact CD2-CB 3.54Å; V178-A182 VanDerWaalsContact O-CB 3.27Å; V178-A182 WeakPolarHBondContact O-CB 3.11Å; V178-A182 PolarHBondContact O-N 3.39Å; A182-A184 VanDerWaalsContact C-N 3.26Å; A182-A184 PolarHBondContact O-N 2.78Å; A182-F185 PolarHBondContact O-N 3.25Å; A182-F185 VanDerWaalsContact O-N 3.1Å; A182-F187 HydrophobicContact CB-CB 4.34Å; A182-F187 HydrophobicContact CB-CD2 3.95Å; A182-F187 HydrophobicContact CB-CG 4.49Å; A182-V189 HydrophobicContact CB-CG2 4.09Å
183	K	98.5	Very high	98.8	Very high	85 Å²	85	40.7 Å²	40.7	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-53.8	-38.5	175.7	-83.8	-178.8	160.6	-175.1	0	113.6	A179 R181 F185 G186 V189 L204 G205 L206	A179-K183 PolarHBondContact O-N 2.94Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 3.12Å; K183-F185 PolarHBondContact O-N 2.68Å; K183-G186 PolarHBondContact O-N 2.99Å; K183-V189 HydrophobicContact CG-CG2 4.33Å; K183-L204 PolarHBondContact NZ-O 3.24Å; K183-G205 WeakPolarHBondContact CE-O 3.5Å; K183-G205 PolarHBondContact NZ-O 3.47Å; K183-L206 HydrophobicContact CD-CD2 4.45Å
184	A	98.6	Very high	98.7	Very high	85 Å²	85	36.8 Å²	36.8	70%	0.702	20%	0.2	S	C	*	.	H	α-helix	trans	-63.9	-30.3	-179.1	0	0	0	0	0	112.9	R181 A182 G186	R181-A184 WeakPolarHBondContact O-CB 3.49Å; R181-A184 PolarHBondContact O-N 3.19Å; A182-A184 VanDerWaalsContact C-N 3.26Å; A182-A184 PolarHBondContact O-N 2.78Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3.32Å
185	F	98.8	Very high	98.7	Very high	89 Å²	89	43.1 Å²	43.1	39%	0.39	22%	0.221	S	C	.	.	H	α-helix	trans	-78.9	-8.9	175.9	-64.7	-89.8	0	0	0	113.3	L122 L126 I161 R181 A182 K183 F187	L122-F185 HydrophobicContact CD1-CD2 4.4Å; L122-F185 HydrophobicContact CD1-CE2 4.33Å; L126-F185 HydrophobicContact CD1-CE1 3.85Å; L126-F185 HydrophobicContact CD1-CZ 3.79Å; L126-F185 HydrophobicContact CD2-CD1 3.89Å; L126-F185 HydrophobicContact CD2-CE1 3.84Å; L126-F185 HydrophobicContact CD2-CZ 4.42Å; L126-F185 HydrophobicContact CG-CE1 4.48Å; I161-F185 HydrophobicContact CG2-CB 3.85Å; R181-F185 WeakPolarHBondContact O-CD2 3.42Å; A182-F185 PolarHBondContact O-N 3.25Å; A182-F185 VanDerWaalsContact O-N 3.1Å; K183-F185 PolarHBondContact O-N 2.68Å; F185-F187 HydrophobicContact CB-CD2 4.23Å; F185-F187 HydrophobicContact CB-CE2 4.5Å
186	G	98.7	Very high	98.5	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	22.4	-179.8	0	0	0	0	0	114.7	R162 G163 K183 A184	R162-G186 WeakPolarHBondContact CA-O 3.3Å; G163-G186 PolarHBondContact N-O 2.87Å; K183-G186 PolarHBondContact O-N 2.99Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3.32Å
187	F	98.9	Very high	98.4	Very high	11 Å²	11	46.7 Å²	46.7	5%	0.048	25%	0.25	C	C	.	.			trans	-65.8	142.8	164.7	-79.3	-72.2	0	0	0	110.8	I125 Y129 I161 E164 L166 A182 F185 V189	I125-F187 HydrophobicContact CG2-CE2 3.88Å; I125-F187 HydrophobicContact CG2-CZ 3.61Å; Y129-F187 HydrophobicContact CD2-CZ 4Å; Y129-F187 AromaticContact CE2-CE1 3.8Å; Y129-F187 HydrophobicContact CE2-CE1 3.8Å; Y129-F187 AromaticContact CE2-CZ 3.65Å; Y129-F187 HydrophobicContact CE2-CZ 3.65Å; Y129-F187 AromaticContact CZ-CE1 3.85Å; I161-F187 HydrophobicContact CB-CZ 4.49Å; I161-F187 HydrophobicContact CG1-CZ 4.39Å; I161-F187 HydrophobicContact CG2-CD1 4.1Å; I161-F187 HydrophobicContact CG2-CD2 3.58Å; I161-F187 HydrophobicContact CG2-CE1 3.88Å; I161-F187 HydrophobicContact CG2-CE2 3.34Å; I161-F187 HydrophobicContact CG2-CG 3.96Å; I161-F187 HydrophobicContact CG2-CZ 3.5Å; I161-F187 VanDerWaalsContact CG2-CZ 3.5Å; E164-F187 HydrophobicContact CB-CD1 3.88Å; E164-F187 HydrophobicContact CB-CE1 3.84Å; E164-F187 WeakPolarHBondContact O-CA 3.4Å; L166-F187 HydrophobicContact CB-CB 4.26Å; L166-F187 HydrophobicContact CB-CD1 3.83Å; L166-F187 HydrophobicContact CB-CE1 4.32Å; L166-F187 HydrophobicContact CB-CG 4.06Å; A182-F187 HydrophobicContact CB-CB 4.34Å; A182-F187 HydrophobicContact CB-CD2 3.95Å; A182-F187 HydrophobicContact CB-CG 4.49Å; F185-F187 HydrophobicContact CB-CD2 4.23Å; F185-F187 HydrophobicContact CB-CE2 4.5Å; F187-V189 HydrophobicContact CB-CG2 4.22Å
188	N	98.8	Very high	98.3	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.9	156.1	-166.5	22.5	0	0	0	108	E164 T165 L166	E164-N188 PolarHBondContact O-N 3.42Å; T165-N188 CarbonylContact C-O 3.5Å; T165-N188 WeakPolarHBondContact CA-O 3.5Å; L166-N188 PolarHBondContact N-O 3.34Å
189	V	98.8	Very high	98.2	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.4	-172	-177.3	0	0	0	0	110.5	I168 A179 A182 K183 F187 L206 Q207	I168-V189 HydrophobicContact CD1-CG1 3.79Å; A179-V189 HydrophobicContact CB-CG1 3.88Å; A182-V189 HydrophobicContact CB-CG2 4.09Å; K183-V189 HydrophobicContact CG-CG2 4.33Å; F187-V189 HydrophobicContact CB-CG2 4.22Å; V189-L206 HydrophobicContact CB-CD2 3.92Å; V189-L206 HydrophobicContact CG1-CD2 3.96Å; V189-Q207 PolarHBondContact O-N 3.45Å
190	L	98.3	Very high	98.1	Very high	4 Å²	4	55 Å²	55	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	151.1	173.9	-90.6	66	0	0	0	109.6	T165 L166 G167 I168 Q207 V209 H218	T165-L190 HydrophobicContact CG2-CB 4.29Å; T165-L190 HydrophobicContact CG2-CD1 3.8Å; T165-L190 HydrophobicContact CG2-CD2 4.2Å; T165-L190 HydrophobicContact CG2-CG 4.31Å; L166-L190 PolarHBondContact O-N 2.68Å; G167-L190 WeakPolarHBondContact CA-O 3.41Å; I168-L190 PolarHBondContact N-O 3.01Å; L190-Q207 CarbonylContact C-O 3.58Å; L190-Q207 VanDerWaalsContact CA-O 3.26Å; L190-Q207 WeakPolarHBondContact CA-O 3.36Å; L190-Q207 HydrophobicContact CD1-CB 3.85Å; L190-Q207 HydrophobicContact CD1-CG 4.18Å; L190-Q207 HydrophobicContact CG-CB 3.95Å; L190-Q207 HydrophobicContact CG-CG 4Å; L190-V209 HydrophobicContact CD2-CG1 4.1Å; L190-H218 HydrophobicContact CD2-CB 3.74Å
191	F	98.9	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.1	171.6	79.1	-82.8	0	0	0	114.1	I168 L171 D193 V200 E201 L206 Q207 R208 V209	I168-F191 HydrophobicContact CB-CB 4.06Å; I168-F191 HydrophobicContact CG2-CB 4.38Å; I168-F191 CarbonylContact O-C 3.55Å; I168-F191 WeakPolarHBondContact O-CA 3.45Å; I168-F191 WeakPolarHBondContact O-CB 3.37Å; L171-F191 HydrophobicContact CB-CB 4.35Å; L171-F191 HydrophobicContact CB-CD2 3.48Å; L171-F191 VanDerWaalsContact CB-CD2 3.48Å; L171-F191 HydrophobicContact CB-CE2 3.9Å; L171-F191 HydrophobicContact CB-CG 3.99Å; L171-F191 HydrophobicContact CD1-CB 4.07Å; L171-F191 HydrophobicContact CD1-CD1 4.44Å; L171-F191 HydrophobicContact CD1-CD2 4.44Å; L171-F191 HydrophobicContact CD1-CG 4.08Å; L171-F191 HydrophobicContact CD2-CD1 3.86Å; L171-F191 HydrophobicContact CD2-CD2 3.77Å; L171-F191 HydrophobicContact CD2-CE1 3.75Å; L171-F191 HydrophobicContact CD2-CE2 3.66Å; L171-F191 HydrophobicContact CD2-CG 3.86Å; L171-F191 HydrophobicContact CD2-CZ 3.64Å; L171-F191 HydrophobicContact CG-CD2 4.07Å; L171-F191 HydrophobicContact CG-CE2 4.35Å; L171-F191 HydrophobicContact CG-CG 4.17Å; F191-D193 HydrophobicContact CD2-CB 4.14Å; F191-D193 HydrophobicContact CE2-CB 4.27Å; F191-V200 HydrophobicContact CE2-CG2 4.35Å; F191-V200 HydrophobicContact CZ-CG2 3.9Å; F191-E201 HydrophobicContact CE1-CB 3.62Å; F191-E201 HydrophobicContact CZ-CB 3.86Å; F191-L206 HydrophobicContact CD1-CB 4.12Å; F191-L206 HydrophobicContact CD1-CD1 4.46Å; F191-L206 HydrophobicContact CE1-CB 4.17Å; F191-Q207 WeakPolarHBondContact CD1-O 3.34Å; F191-Q207 PolarHBondContact N-O 3.25Å; F191-R208 HydrophobicContact CD1-CB 4.31Å; F191-R208 HydrophobicContact CD2-CG 4.33Å; F191-R208 HydrophobicContact CE1-CB 3.6Å; F191-R208 HydrophobicContact CE1-CG 4Å; F191-R208 HydrophobicContact CE2-CB 4.23Å; F191-R208 HydrophobicContact CE2-CG 3.67Å; F191-R208 HydrophobicContact CZ-CB 3.56Å; F191-R208 HydrophobicContact CZ-CG 3.48Å; F191-R208 VanDerWaalsContact CZ-CG 3.48Å; F191-R208 WeakPolarHBondContact O-CA 3.42Å; F191-V209 PolarHBondContact O-N 2.72Å
192	Y	98.9	Very high	97.9	Very high	47 Å²	47	57.5 Å²	57.5	18%	0.184	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.8	170.3	170.1	-110	0	0	0	108.1	I168 G170 P194 S210 T211 L212 L215	I168-Y192 PolarHBondContact O-N 3.48Å; G170-Y192 PolarHBondContact N-O 3.06Å; Y192-P194 HydrophobicContact CE1-CG 4.31Å; Y192-P194 HydrophobicContact CE2-CB 4.28Å; Y192-S210 WeakPolarHBondContact CE2-O 3.36Å; Y192-T211 VanDerWaalsContact CD2-C 3.47Å; Y192-L212 HydrophobicContact CD1-CB 4.18Å; Y192-L212 HydrophobicContact CD1-CD1 4.27Å; Y192-L212 HydrophobicContact CE1-CB 3.98Å; Y192-L215 VanDerWaalsContact N-CD1 3.31Å
193	D	98.6	Very high	97.9	Very high	17 Å²	17	61.7 Å²	61.7	9%	0.091	34%	0.336	C	S	.	.			trans	-147.6	110.3	170.7	-165.2	-43.6	0	0	0	107.9	G170 L171 F191 Y195 L196 R208	G170-D193 WeakPolarHBondContact CA-OD2 3.46Å; L171-D193 HydrophobicContact CB-CB 4.42Å; L171-D193 PolarHBondContact N-OD2 3.09Å; F191-D193 HydrophobicContact CD2-CB 4.14Å; F191-D193 HydrophobicContact CE2-CB 4.27Å; D193-Y195 VanDerWaalsContact C-N 3.28Å; D193-Y195 PolarHBondContact O-N 3.22Å; D193-Y195 PolarHBondContact OD1-N 3.45Å; D193-L196 HydrophobicContact CB-CB 4.47Å; D193-L196 HydrophobicContact CB-CD1 3.85Å; D193-L196 HydrophobicContact CB-CG 4.11Å; D193-L196 PolarHBondContact OD1-N 3.34Å; D193-R208 PolarHBondContact O-NH2 3.43Å
194	P	97.9	Very high	97.8	Very high	70 Å²	70	59.5 Å²	59.5	46%	0.455	33%	0.329	S	S	.	.	S	Bend	trans	-80	-9.1	-176.4	32.9	-35.3	0	0	0	113.2	Y192	Y192-P194 HydrophobicContact CE1-CG 4.31Å; Y192-P194 HydrophobicContact CE2-CB 4.28Å
195	Y	97.3	Very high	97.8	Very high	161 Å²	161	57.9 Å²	57.9	63%	0.631	32%	0.32	S	S	*	.	S	Bend	trans	-103.5	-13.7	-173.5	-55.7	-59.7	0	0	0	113.7	D193	D193-Y195 VanDerWaalsContact C-N 3.28Å; D193-Y195 PolarHBondContact O-N 3.22Å; D193-Y195 PolarHBondContact OD1-N 3.45Å
196	L	96.3	Very high	97.8	Very high	49 Å²	49	54.5 Å²	54.5	26%	0.257	31%	0.306	S	S	.	.	S	Bend	trans	-78	144.5	175.5	-67.9	176.4	0	0	0	112.7	L171 D193 V200 R208	L171-L196 HydrophobicContact CB-CD1 3.78Å; L171-L196 WeakPolarHBondContact O-CD1 3.42Å; D193-L196 HydrophobicContact CB-CB 4.47Å; D193-L196 HydrophobicContact CB-CD1 3.85Å; D193-L196 HydrophobicContact CB-CG 4.11Å; D193-L196 PolarHBondContact OD1-N 3.34Å; L196-V200 HydrophobicContact CB-CG2 4.49Å; L196-V200 HydrophobicContact CD1-CG2 4.17Å; L196-R208 PolarHBondContact O-NH1 3.21Å; L196-R208 PolarHBondContact O-NH2 2.79Å
197	S	96.1	Very high	97.7	Very high	92 Å²	92	58.3 Å²	58.3	64%	0.643	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-71.8	157.3	167.4	48.6	0	0	0	0	112
198	D	96.4	Very high	97.7	Very high	131 Å²	131	60.6 Å²	60.6	70%	0.701	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	144.4	179.7	-62	-21	0	0	0	112.5	R208	D198-R208 IonicContact OD1-CZ 3.57Å; D198-R208 IonicContact OD1-NH1 3.54Å; D198-R208 PolarHBondContact OD1-NH1 2.87Å
199	G	96.2	Very high	97.7	Very high	19 Å²	19	57.2 Å²	57.2	20%	0.196	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	119.5	-23.9	175	0	0	0	0	0	114.1	E201 R202 A203	G199-E201 WeakPolarHBondContact CA-OE1 3.21Å; G199-E201 VanDerWaalsContact N-CD 3.33Å; G199-E201 PolarHBondContact N-OE1 3.4Å; G199-E201 PolarHBondContact N-OE2 3.32Å; G199-E201 PolarHBondContact O-N 3.47Å; G199-R202 PolarHBondContact O-N 2.86Å; G199-R202 VanDerWaalsContact O-N 3.11Å; G199-A203 PolarHBondContact O-N 2.83Å
200	V	96.9	Very high	97.7	Very high	34 Å²	34	62.3 Å²	62.3	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-35	178.8	-62.3	0	0	0	0	111.9	L171 F191 L196 A203 L204	L171-V200 HydrophobicContact CD2-CG2 4.25Å; F191-V200 HydrophobicContact CE2-CG2 4.35Å; F191-V200 HydrophobicContact CZ-CG2 3.9Å; L196-V200 HydrophobicContact CB-CG2 4.49Å; L196-V200 HydrophobicContact CD1-CG2 4.17Å; V200-A203 PolarHBondContact O-N 3.44Å; V200-L204 WeakPolarHBondContact O-CB 3.41Å; V200-L204 PolarHBondContact O-N 2.94Å
201	E	96.9	Very high	97.7	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.126	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-40.3	174.9	72	-60.1	138.3	0	0	112.1	F191 G199 G205 L206 R208	F191-E201 HydrophobicContact CE1-CB 3.62Å; F191-E201 HydrophobicContact CZ-CB 3.86Å; G199-E201 WeakPolarHBondContact CA-OE1 3.21Å; G199-E201 VanDerWaalsContact N-CD 3.33Å; G199-E201 PolarHBondContact N-OE1 3.4Å; G199-E201 PolarHBondContact N-OE2 3.32Å; G199-E201 PolarHBondContact O-N 3.47Å; E201-G205 CarbonylContact O-C 3.54Å; E201-G205 VanDerWaalsContact O-CA 3.32Å; E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.37Å; E201-L206 PolarHBondContact O-N 3.02Å; E201-R208 HydrophobicContact CB-CB 3.92Å; E201-R208 HydrophobicContact CG-CB 4.15Å
202	R	97.2	Very high	97.7	Very high	185 Å²	185	66 Å²	66	70%	0.698	37%	0.368	S	S	*	.	H	α-helix	trans	-73.3	-41.5	176.8	-72.6	176.1	-74	173.6	2.5	111.9	G199 L204 G205	G199-R202 PolarHBondContact O-N 2.86Å; G199-R202 VanDerWaalsContact O-N 3.11Å; R202-L204 VanDerWaalsContact C-N 3.35Å; R202-L204 PolarHBondContact O-N 3.33Å; R202-G205 PolarHBondContact O-N 2.78Å
203	A	97.9	Very high	97.7	Very high	87 Å²	87	69.2 Å²	69.2	72%	0.719	39%	0.385	S	S	*	.	H	α-helix	trans	-62.8	-39.2	179.2	0	0	0	0	0	112.8	G199 V200	G199-A203 PolarHBondContact O-N 2.83Å; V200-A203 PolarHBondContact O-N 3.44Å
204	L	97.6	Very high	97.7	Very high	40 Å²	40	71.3 Å²	71.3	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-94.7	-5.9	179.9	-61.8	173.8	0	0	0	113.4	L171 Q176 L180 K183 V200 R202 L206	L171-L204 HydrophobicContact CD2-CD1 4.24Å; Q176-L204 HydrophobicContact CB-CD1 4.2Å; Q176-L204 HydrophobicContact CG-CD1 3.71Å; L180-L204 HydrophobicContact CD2-CD2 4.32Å; K183-L204 PolarHBondContact NZ-O 3.24Å; V200-L204 WeakPolarHBondContact O-CB 3.41Å; V200-L204 PolarHBondContact O-N 2.94Å; R202-L204 VanDerWaalsContact C-N 3.35Å; R202-L204 PolarHBondContact O-N 3.33Å; L204-L206 HydrophobicContact CB-CD1 3.74Å; L204-L206 HydrophobicContact CB-CG 3.73Å; L204-L206 HydrophobicContact CD1-CD1 4.02Å
205	G	97.9	Very high	97.7	Very high	50 Å²	50	68 Å²	68	52%	0.515	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	48.4	-175.8	0	0	0	0	0	112.8	K183 E201 R202	K183-G205 WeakPolarHBondContact CE-O 3.5Å; K183-G205 PolarHBondContact NZ-O 3.47Å; E201-G205 CarbonylContact O-C 3.54Å; E201-G205 VanDerWaalsContact O-CA 3.32Å; E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.37Å; R202-G205 PolarHBondContact O-N 2.78Å
206	L	98.3	Very high	97.8	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	34%	0.344	C	S	.	.			trans	-114.2	162.1	-179.4	-53.4	176.4	0	0	0	109.9	L171 A179 K183 V189 F191 E201 L204	L171-L206 HydrophobicContact CD1-CD1 3.95Å; L171-L206 HydrophobicContact CD2-CD1 3.95Å; A179-L206 HydrophobicContact CB-CD1 3.77Å; A179-L206 HydrophobicContact CB-CD2 4.04Å; K183-L206 HydrophobicContact CD-CD2 4.45Å; V189-L206 HydrophobicContact CB-CD2 3.92Å; V189-L206 HydrophobicContact CG1-CD2 3.96Å; F191-L206 HydrophobicContact CD1-CB 4.12Å; F191-L206 HydrophobicContact CD1-CD1 4.46Å; F191-L206 HydrophobicContact CE1-CB 4.17Å; E201-L206 PolarHBondContact O-N 3.02Å; L204-L206 HydrophobicContact CB-CD1 3.74Å; L204-L206 HydrophobicContact CB-CG 3.73Å; L204-L206 HydrophobicContact CD1-CD1 4.02Å
207	Q	98.4	Very high	97.9	Very high	95 Å²	95	64.1 Å²	64.1	44%	0.444	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.8	172.4	-178.6	175.8	-26.2	0	0	110.3	V189 L190 F191	V189-Q207 PolarHBondContact O-N 3.45Å; L190-Q207 CarbonylContact C-O 3.58Å; L190-Q207 VanDerWaalsContact CA-O 3.26Å; L190-Q207 WeakPolarHBondContact CA-O 3.36Å; L190-Q207 HydrophobicContact CD1-CB 3.85Å; L190-Q207 HydrophobicContact CD1-CG 4.18Å; L190-Q207 HydrophobicContact CG-CB 3.95Å; L190-Q207 HydrophobicContact CG-CG 4Å; F191-Q207 WeakPolarHBondContact CD1-O 3.34Å; F191-Q207 PolarHBondContact N-O 3.25Å
208	R	98.8	Very high	98.1	Very high	58 Å²	58	63.1 Å²	63.1	22%	0.219	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	143.1	170.2	-166.8	172.5	-172.2	-171.7	-0	110.1	F191 D193 L196 D198 E201	F191-R208 HydrophobicContact CD1-CB 4.31Å; F191-R208 HydrophobicContact CD2-CG 4.33Å; F191-R208 HydrophobicContact CE1-CB 3.6Å; F191-R208 HydrophobicContact CE1-CG 4Å; F191-R208 HydrophobicContact CE2-CB 4.23Å; F191-R208 HydrophobicContact CE2-CG 3.67Å; F191-R208 HydrophobicContact CZ-CB 3.56Å; F191-R208 HydrophobicContact CZ-CG 3.48Å; F191-R208 VanDerWaalsContact CZ-CG 3.48Å; F191-R208 WeakPolarHBondContact O-CA 3.42Å; D193-R208 PolarHBondContact O-NH2 3.43Å; L196-R208 PolarHBondContact O-NH1 3.21Å; L196-R208 PolarHBondContact O-NH2 2.79Å; D198-R208 IonicContact OD1-CZ 3.57Å; D198-R208 IonicContact OD1-NH1 3.54Å; D198-R208 PolarHBondContact OD1-NH1 2.87Å; E201-R208 HydrophobicContact CB-CB 3.92Å; E201-R208 HydrophobicContact CG-CB 4.15Å
209	V	98.7	Very high	98.2	Very high	13 Å²	13	56.9 Å²	56.9	8%	0.079	31%	0.311	C	S	.	.			trans	-120.5	150.7	166.2	-61.7	0	0	0	0	110.6	L190 F191 D214 L215	L190-V209 HydrophobicContact CD2-CG1 4.1Å; F191-V209 PolarHBondContact O-N 2.72Å; V209-D214 HydrophobicContact CB-CB 3.85Å; V209-D214 HydrophobicContact CG1-CB 4.24Å; V209-D214 HydrophobicContact CG2-CB 4.13Å; V209-L215 HydrophobicContact CG2-CB 3.78Å
210	S	98	Very high	98.3	Very high	111 Å²	111	57.4 Å²	57.4	78%	0.776	31%	0.309	S	S	*	.	S	Bend	trans	-87.9	-15.5	-170.8	-56.5	0	0	0	0	114.2	Y192	Y192-S210 WeakPolarHBondContact CE2-O 3.36Å
211	T	98.8	Very high	98.4	Very high	58 Å²	58	55.8 Å²	55.8	36%	0.356	30%	0.299	S	S	.	.	S	Bend	trans	-130.6	155.3	179	78.9	0	0	0	0	111.8	Y192 Q213 D214 L215	Y192-T211 VanDerWaalsContact CD2-C 3.47Å; T211-Q213 VanDerWaalsContact C-N 3.3Å; T211-Q213 PolarHBondContact O-N 3.3Å; T211-Q213 PolarHBondContact OG1-N 3.33Å; T211-D214 WeakPolarHBondContact CB-OD2 3.32Å; T211-D214 PolarHBondContact O-N 3.1Å; T211-D214 PolarHBondContact OG1-N 3.46Å; T211-D214 PolarHBondContact OG1-OD2 2.79Å; T211-L215 PolarHBondContact O-N 2.92Å
212	L	98.8	Very high	98.5	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-42.2	170.5	176.9	63.6	0	0	0	111.3	I169 Y192 D214 L215 L216 L235 T240	I169-L212 HydrophobicContact CD1-CD1 3.46Å; I169-L212 VanDerWaalsContact CD1-CD1 3.46Å; I169-L212 HydrophobicContact CG1-CD1 4.1Å; Y192-L212 HydrophobicContact CD1-CB 4.18Å; Y192-L212 HydrophobicContact CD1-CD1 4.27Å; Y192-L212 HydrophobicContact CE1-CB 3.98Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 3.38Å; L212-L215 WeakPolarHBondContact O-CB 3.11Å; L212-L215 PolarHBondContact O-N 2.88Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L212-L216 HydrophobicContact CD1-CD1 4.06Å; L212-L216 HydrophobicContact CD1-CD2 4.25Å; L212-L216 HydrophobicContact CD1-CG 4.01Å; L212-L216 HydrophobicContact CD2-CD1 4.3Å; L212-L216 HydrophobicContact CG-CD1 3.81Å; L212-L216 HydrophobicContact CG-CG 4.16Å; L212-L216 WeakPolarHBondContact O-CG 3.11Å; L212-L216 PolarHBondContact O-N 3.07Å; L212-L235 HydrophobicContact CD2-CD1 3.74Å; L212-L235 HydrophobicContact CD2-CG 4.04Å; L212-T240 HydrophobicContact CD2-CG2 3.91Å
213	Q	98.8	Very high	98.6	Very high	114 Å²	114	45.7 Å²	45.7	53%	0.533	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-44.4	-179.7	179	179.8	-23.6	0	0	111.7	T211 L215 L216 F217	T211-Q213 VanDerWaalsContact C-N 3.3Å; T211-Q213 PolarHBondContact O-N 3.3Å; T211-Q213 PolarHBondContact OG1-N 3.33Å; Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 PolarHBondContact O-N 3.15Å; Q213-L216 PolarHBondContact O-N 2.85Å; Q213-F217 VanDerWaalsContact O-CB 3.28Å; Q213-F217 WeakPolarHBondContact O-CB 3.18Å; Q213-F217 PolarHBondContact O-N 2.97Å
214	D	98.7	Very high	98.6	Very high	61 Å²	61	41.6 Å²	41.6	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-38.6	176.9	-66.6	-50.8	0	0	0	111.6	V209 T211 L212 H218	V209-D214 HydrophobicContact CB-CB 3.85Å; V209-D214 HydrophobicContact CG1-CB 4.24Å; V209-D214 HydrophobicContact CG2-CB 4.13Å; T211-D214 WeakPolarHBondContact CB-OD2 3.32Å; T211-D214 PolarHBondContact O-N 3.1Å; T211-D214 PolarHBondContact OG1-N 3.46Å; T211-D214 PolarHBondContact OG1-OD2 2.79Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 3.38Å; D214-H218 WeakPolarHBondContact O-CB 3.43Å; D214-H218 PolarHBondContact O-N 2.97Å; D214-H218 PolarHBondContact O-ND1 3.07Å
215	L	98.9	Very high	98.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-51.8	176.7	-174.4	146	0	0	0	111	I168 I169 Y192 V209 T211 L212 Q213 F217 H218 S219 V222	I168-L215 VanDerWaalsContact O-CD1 3.26Å; I168-L215 WeakPolarHBondContact O-CD1 3.48Å; I169-L215 HydrophobicContact CD1-CD2 4.02Å; I169-L215 HydrophobicContact CG1-CD1 3.98Å; I169-L215 HydrophobicContact CG1-CD2 3.76Å; I169-L215 HydrophobicContact CG1-CG 4.49Å; Y192-L215 VanDerWaalsContact N-CD1 3.31Å; V209-L215 HydrophobicContact CG2-CB 3.78Å; T211-L215 PolarHBondContact O-N 2.92Å; L212-L215 WeakPolarHBondContact O-CB 3.11Å; L212-L215 PolarHBondContact O-N 2.88Å; L212-L215 VanDerWaalsContact O-N 3.08Å; Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 PolarHBondContact O-N 3.15Å; L215-F217 VanDerWaalsContact C-N 3.29Å; L215-F217 PolarHBondContact O-N 2.87Å; L215-H218 PolarHBondContact O-N 2.57Å; L215-S219 VanDerWaalsContact O-CB 3.26Å; L215-S219 WeakPolarHBondContact O-CB 3.2Å; L215-S219 PolarHBondContact O-N 2.98Å; L215-S219 VanDerWaalsContact O-N 3.11Å; L215-S219 PolarHBondContact O-OG 3.31Å; L215-V222 HydrophobicContact CD2-CG1 4.09Å; L215-V222 HydrophobicContact CD2-CG2 4.07Å
216	L	98.9	Very high	98.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-38	-176	-61.2	177.4	0	0	0	111.6	I169 L212 Q213 V222 I236 T240 Q243 M244 R245	I169-L216 HydrophobicContact CD1-CD2 4.17Å; L212-L216 HydrophobicContact CD1-CD1 4.06Å; L212-L216 HydrophobicContact CD1-CD2 4.25Å; L212-L216 HydrophobicContact CD1-CG 4.01Å; L212-L216 HydrophobicContact CD2-CD1 4.3Å; L212-L216 HydrophobicContact CG-CD1 3.81Å; L212-L216 HydrophobicContact CG-CG 4.16Å; L212-L216 WeakPolarHBondContact O-CG 3.11Å; L212-L216 PolarHBondContact O-N 3.07Å; Q213-L216 PolarHBondContact O-N 2.85Å; L216-V222 HydrophobicContact CD2-CG1 4.06Å; L216-V222 HydrophobicContact CD2-CG2 3.94Å; L216-I236 HydrophobicContact CD2-CD1 4.18Å; L216-T240 HydrophobicContact CD1-CG2 4.44Å; L216-T240 WeakPolarHBondContact CD1-O 3.27Å; L216-Q243 CarbonylContact C-O 3.4Å; L216-Q243 HydrophobicContact CB-CB 4.2Å; L216-Q243 HydrophobicContact CD1-CB 4.24Å; L216-M244 HydrophobicContact CB-CG 4.13Å; L216-M244 HydrophobicContact CD2-CG 3.94Å; L216-M244 HydrophobicContact CG-CG 4.41Å; L216-M244 WeakPolarHBondContact O-CA 3.19Å; L216-R245 PolarHBondContact O-N 3.26Å
217	F	98.6	Very high	98.7	Very high	129 Å²	129	40.9 Å²	40.9	57%	0.566	22%	0.223	S	C	*	.	H	α-helix	trans	-70.8	-32.4	178.9	-176.2	-98.8	0	0	0	113.6	Q213 L215 Q243 R245	Q213-F217 VanDerWaalsContact O-CB 3.28Å; Q213-F217 WeakPolarHBondContact O-CB 3.18Å; Q213-F217 PolarHBondContact O-N 2.97Å; L215-F217 VanDerWaalsContact C-N 3.29Å; L215-F217 PolarHBondContact O-N 2.87Å; F217-Q243 PolarHBondContact N-O 2.78Å; F217-R245 VanDerWaalsContact O-CG 3.26Å; F217-R245 WeakPolarHBondContact O-CG 3.22Å; F217-R245 PolarHBondContact O-NE 2.61Å
218	H	98.8	Very high	98.7	Very high	71 Å²	71	38.4 Å²	38.4	33%	0.329	21%	0.212	S	C	.	.	H	α-helix	trans	-93.9	-8.5	-177.4	-67.4	98.9	0	0	0	114.6	T165 L190 D214 L215 R245	T165-H218 VanDerWaalsContact CB-O 3.28Å; T165-H218 WeakPolarHBondContact CB-O 3.15Å; T165-H218 VanDerWaalsContact CG2-O 3.27Å; T165-H218 WeakPolarHBondContact CG2-O 3.4Å; L190-H218 HydrophobicContact CD2-CB 3.74Å; D214-H218 WeakPolarHBondContact O-CB 3.43Å; D214-H218 PolarHBondContact O-N 2.97Å; D214-H218 PolarHBondContact O-ND1 3.07Å; L215-H218 PolarHBondContact O-N 2.57Å; H218-R245 PolarHBondContact O-NH1 3.37Å; H218-R245 PolarHBondContact O-NH2 3.32Å
219	S	98.9	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.			trans	-102.9	133.8	-171.2	-54.5	0	0	0	0	113.5	G167 L215 R245	G167-S219 WeakPolarHBondContact CA-OG 3.43Å; G167-S219 PolarHBondContact N-OG 3.38Å; L215-S219 VanDerWaalsContact O-CB 3.26Å; L215-S219 WeakPolarHBondContact O-CB 3.2Å; L215-S219 PolarHBondContact O-N 2.98Å; L215-S219 VanDerWaalsContact O-N 3.11Å; L215-S219 PolarHBondContact O-OG 3.31Å; S219-R245 WeakPolarHBondContact O-CD 3.31Å
220	D	98.9	Very high	98.4	Very high	30 Å²	30	45.4 Å²	45.4	16%	0.16	25%	0.249	C	C	.	.	S	Bend	trans	-87.9	-26.1	173.9	-53.4	-59.8	0	0	0	111.2	E164 T165 R245 A248 F249	E164-D220 HydrophobicContact CB-CB 4.45Å; E164-D220 WeakPolarHBondContact OE2-CB 3.06Å; T165-D220 PolarHBondContact N-OD2 2.86Å; T165-D220 PolarHBondContact O-N 2.91Å; D220-R245 VanDerWaalsContact CG-NH1 3.3Å; D220-R245 VanDerWaalsContact OD1-CD 3.26Å; D220-R245 WeakPolarHBondContact OD1-CD 3.29Å; D220-R245 IonicContact OD1-CZ 3.66Å; D220-R245 IonicContact OD1-NE 3.87Å; D220-R245 IonicContact OD1-NH1 2.7Å; D220-R245 PolarHBondContact OD1-NH1 3.11Å; D220-R245 IonicContact OD2-NH1 3.23Å; D220-R245 PolarHBondContact OD2-NH1 3.04Å; D220-A248 CarbonylContact O-C 3.54Å; D220-A248 WeakPolarHBondContact O-CA 3.38Å; D220-A248 WeakPolarHBondContact O-CB 3.46Å; D220-F249 PolarHBondContact O-N 3.24Å
221	C	98.9	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.4	168.1	-176.3	0	0	0	0	109.5	Y129 T165 L166 G167 F249	Y129-C221 HydrophobicContact CE2-CB 3.87Å; T165-C221 PolarHBondContact O-N 3.35Å; T165-C221 VanDerWaalsContact O-N 3.12Å; L166-C221 WeakPolarHBondContact CA-O 3.38Å; L166-C221 HydrophobicContact CD1-CB 3.98Å; G167-C221 PolarHBondContact N-O 2.95Å; C221-F249 WeakPolarHBondContact CA-O 3.38Å; C221-F249 HydrophobicContact CB-CB 4.1Å
222	V	99	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.6	175.9	176.6	0	0	0	0	109.2	G167 I169 L215 L216 L224 M244 F249 L250 V251	G167-V222 CarbonylContact O-C 3.58Å; G167-V222 WeakPolarHBondContact O-CA 3.36Å; I169-V222 HydrophobicContact CD1-CG1 3.66Å; I169-V222 HydrophobicContact CG1-CG1 4.27Å; L215-V222 HydrophobicContact CD2-CG1 4.09Å; L215-V222 HydrophobicContact CD2-CG2 4.07Å; L216-V222 HydrophobicContact CD2-CG1 4.06Å; L216-V222 HydrophobicContact CD2-CG2 3.94Å; V222-L224 HydrophobicContact CG1-CD2 4.42Å; V222-M244 HydrophobicContact CB-CE 4.13Å; V222-M244 HydrophobicContact CG2-CE 3.94Å; V222-F249 PolarHBondContact N-O 3.04Å; V222-L250 HydrophobicContact CB-CD1 4.13Å; V222-L250 HydrophobicContact CG1-CD1 4.09Å; V222-L250 CarbonylContact O-C 3.54Å; V222-L250 WeakPolarHBondContact O-CA 3.46Å; V222-V251 PolarHBondContact O-N 2.82Å
223	S	98.9	Very high	98.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.8	177.8	-167	0	0	0	0	111.7	T121 G167 I169 H225 V251	T121-S223 WeakPolarHBondContact CG2-OG 3.19Å; G167-S223 PolarHBondContact O-N 3.13Å; I169-S223 PolarHBondContact N-O 3.34Å; S223-H225 PolarHBondContact OG-CE1 3.34Å; S223-H225 PolarHBondContact OG-NE2 3.2Å; S223-V251 WeakPolarHBondContact CA-O 3.43Å
224	L	98.9	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.8	-177.1	-55.1	-174.3	0	0	0	111.5	I169 V222 I236 V251 N252 A254 L258 V259	I169-L224 HydrophobicContact CB-CD2 3.91Å; I169-L224 HydrophobicContact CD1-CD2 3.62Å; I169-L224 HydrophobicContact CG1-CD2 4.25Å; I169-L224 HydrophobicContact CG2-CD2 4.29Å; V222-L224 HydrophobicContact CG1-CD2 4.42Å; L224-I236 HydrophobicContact CD1-CG1 4.06Å; L224-I236 HydrophobicContact CD2-CD1 4.36Å; L224-I236 HydrophobicContact CD2-CG1 4.08Å; L224-V251 PolarHBondContact N-O 3.5Å; L224-N252 HydrophobicContact CD1-CB 4.18Å; L224-A254 HydrophobicContact CB-CB 4.37Å; L224-A254 VanDerWaalsContact O-CB 3.31Å; L224-A254 WeakPolarHBondContact O-CB 3.48Å; L224-L258 HydrophobicContact CB-CD1 4.39Å; L224-L258 HydrophobicContact CD1-CB 3.94Å; L224-L258 HydrophobicContact CD1-CD1 4.39Å; L224-V259 HydrophobicContact CD1-CG2 3.54Å
225	H	98.9	Very high	98.4	Very high	22 Å²	22	44.6 Å²	44.6	10%	0.102	23%	0.227	C	C	.	.			trans	-136.5	13.5	179.8	-61.2	-43	0	0	0	113.5	T121 I169 G170 S223 T253	T121-H225 VanDerWaalsContact CG2-CE1 3.43Å; T121-H225 WeakPolarHBondContact CG2-CE1 3.44Å; I169-H225 CarbonylContact O-C 3.57Å; I169-H225 WeakPolarHBondContact O-CA 3.39Å; I169-H225 PolarHBondContact O-N 2.91Å; G170-H225 WeakPolarHBondContact O-CB 3.32Å; S223-H225 PolarHBondContact OG-CE1 3.34Å; S223-H225 PolarHBondContact OG-NE2 3.2Å; H225-T253 PolarHBondContact CE1-OG1 2.77Å
226	C	98.6	Very high	98.4	Very high	23 Å²	23	44.7 Å²	44.7	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	-85.8	151.3	171.1	59.9	0	0	0	0	111.4	I169 A254	I169-C226 PolarHBondContact O-N 3.49Å; C226-A254 WeakPolarHBondContact O-CB 3.42Å
227	G	97.7	Very high	98.4	Very high	50 Å²	50	46.9 Å²	46.9	52%	0.515	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-75	146	170.5	0	0	0	0	0	111.5	N229 N232	G227-N229 PolarHBondContact O-ND2 3.27Å; G227-N232 PolarHBondContact O-ND2 2.8Å
228	L	98.4	Very high	98.4	Very high	42 Å²	42	44.3 Å²	44.3	22%	0.22	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-67.9	136.3	171.3	-177.2	63.3	0	0	0	110.2	D92 N232 H233 R255 L258	D92-L228 HydrophobicContact CB-CB 4.02Å; D92-L228 HydrophobicContact CB-CD2 4.42Å; D92-L228 HydrophobicContact CB-CG 4.46Å; L228-N232 WeakPolarHBondContact CA-OD1 3.48Å; L228-H233 HydrophobicContact CD1-CB 4.39Å; L228-R255 HydrophobicContact CB-CB 3.88Å; L228-R255 HydrophobicContact CB-CG 3.84Å; L228-R255 HydrophobicContact CD2-CB 4.38Å; L228-L258 HydrophobicContact CB-CD2 4.35Å; L228-L258 HydrophobicContact CD1-CD2 3.87Å; L228-L258 HydrophobicContact CD1-CG 4.35Å
229	N	96.1	Very high	98.4	Very high	58 Å²	58	47.5 Å²	47.5	31%	0.31	24%	0.244	S	C	.	.			trans	-154.7	175.6	-179.8	59.9	76.3	0	0	0	110.5	G227 H231 N232	G227-N229 PolarHBondContact O-ND2 3.27Å; N229-H231 PolarHBondContact O-N 3.4Å; N229-H231 PolarHBondContact OD1-N 3Å; N229-N232 PolarHBondContact N-OD1 2.88Å; N229-N232 VanDerWaalsContact ND2-CG 3.29Å; N229-N232 PolarHBondContact ND2-ND2 3.24Å; N229-N232 PolarHBondContact ND2-OD1 3.23Å; N229-N232 PolarHBondContact O-N 3.47Å; N229-N232 PolarHBondContact O-OD1 2.86Å; N229-N232 PolarHBondContact OD1-OD1 3Å
230	E	95.2	Very high	98.4	Very high	161 Å²	161	48 Å²	48	75%	0.752	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.2	-176.9	-59.5	-177.6	178.7	0	0	114.9
231	H	97.7	Very high	98.4	Very high	145 Å²	145	46.8 Å²	46.8	67%	0.671	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-2.3	-173.2	-52.8	-30.7	0	0	0	114.4	N229	N229-H231 PolarHBondContact O-N 3.4Å; N229-H231 PolarHBondContact OD1-N 3Å
232	N	98.6	Very high	98.3	Very high	14 Å²	14	52.5 Å²	52.5	8%	0.075	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	16.6	-177.1	72.9	-5.8	0	0	0	115.1	G227 L228 N229 H234 L235 L258	G227-N232 PolarHBondContact O-ND2 2.8Å; L228-N232 WeakPolarHBondContact CA-OD1 3.48Å; N229-N232 PolarHBondContact N-OD1 2.88Å; N229-N232 VanDerWaalsContact ND2-CG 3.29Å; N229-N232 PolarHBondContact ND2-ND2 3.24Å; N229-N232 PolarHBondContact ND2-OD1 3.23Å; N229-N232 PolarHBondContact O-N 3.47Å; N229-N232 PolarHBondContact O-OD1 2.86Å; N229-N232 PolarHBondContact OD1-OD1 3Å; N232-H234 PolarHBondContact O-N 3.13Å; N232-L235 HydrophobicContact CB-CB 4.28Å; N232-L235 HydrophobicContact CB-CD1 4.16Å; N232-L235 HydrophobicContact CB-CD2 4.45Å; N232-L235 WeakPolarHBondContact O-CB 3.33Å; N232-L235 PolarHBondContact O-N 3.06Å; N232-L235 VanDerWaalsContact O-N 3.14Å; N232-L258 HydrophobicContact CB-CD2 4.34Å
233	H	98.6	Very high	98.3	Very high	115 Å²	115	54.3 Å²	54.3	53%	0.532	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130.4	164	-175.4	-80.4	0	0	0	110.2	L228 L235 G257	L228-H233 HydrophobicContact CD1-CB 4.39Å; H233-L235 VanDerWaalsContact C-N 3.27Å; H233-L235 PolarHBondContact O-N 2.88Å; H233-G257 CarbonylContact C-O 3.3Å; H233-G257 WeakPolarHBondContact CA-O 3.19Å
234	H	98.8	Very high	98.3	Very high	46 Å²	46	55 Å²	55	21%	0.213	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	44.2	-171.3	-64.5	171.8	0	0	0	113.2	N232 I236 N237 G257 L258 V259 D260 E282	N232-H234 PolarHBondContact O-N 3.13Å; H234-I236 PolarHBondContact O-N 2.76Å; H234-N237 HydrophobicContact CB-CB 4.39Å; H234-N237 WeakPolarHBondContact O-CB 3.41Å; H234-N237 PolarHBondContact O-ND2 3.17Å; H234-G257 PolarHBondContact N-O 2.9Å; H234-L258 CarbonylContact C-O 3.59Å; H234-V259 PolarHBondContact CD2-O 2.99Å; H234-D260 HydrophobicContact CB-CB 4.32Å; H234-E282 IonicContact CD2-OE2 2.75Å; H234-E282 IonicContact CE1-OE2 3.64Å; H234-E282 VanDerWaalsContact NE2-CD 3.31Å; H234-E282 IonicContact NE2-OE1 2.74Å; H234-E282 IonicContact NE2-OE2 3.85Å; H234-E282 PolarHBondContact NE2-OE2 3.36Å
235	L	98.9	Very high	98.3	Very high	31 Å²	31	59.3 Å²	59.3	16%	0.162	29%	0.294	C	S	.	.	S	Bend	trans	-52.6	-39.8	172.1	-171.5	67.6	0	0	0	112.3	I169 L212 N232 H233 T240 L258	I169-L235 HydrophobicContact CG2-CD2 3.63Å; L212-L235 HydrophobicContact CD2-CD1 3.74Å; L212-L235 HydrophobicContact CD2-CG 4.04Å; N232-L235 HydrophobicContact CB-CB 4.28Å; N232-L235 HydrophobicContact CB-CD1 4.16Å; N232-L235 HydrophobicContact CB-CD2 4.45Å; N232-L235 WeakPolarHBondContact O-CB 3.33Å; N232-L235 PolarHBondContact O-N 3.06Å; N232-L235 VanDerWaalsContact O-N 3.14Å; H233-L235 VanDerWaalsContact C-N 3.27Å; H233-L235 PolarHBondContact O-N 2.88Å; L235-T240 PolarHBondContact O-OG1 2.86Å; L235-L258 PolarHBondContact N-O 3.24Å
236	I	98.9	Very high	98.3	Very high	1 Å²	1	65 Å²	65	1%	0.005	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-96.9	105.9	169.3	-54.3	-56.2	0	0	0	108	I169 L216 L224 H234 T240 V241 L250 L258 V259 D260	I169-I236 HydrophobicContact CD1-CD1 4.18Å; L216-I236 HydrophobicContact CD2-CD1 4.18Å; L224-I236 HydrophobicContact CD1-CG1 4.06Å; L224-I236 HydrophobicContact CD2-CD1 4.36Å; L224-I236 HydrophobicContact CD2-CG1 4.08Å; H234-I236 PolarHBondContact O-N 2.76Å; I236-T240 WeakPolarHBondContact CA-OG1 3.4Å; I236-V241 HydrophobicContact CG2-CG2 3.44Å; I236-V241 VanDerWaalsContact CG2-CG2 3.44Å; I236-L250 HydrophobicContact CG2-CD2 4.1Å; I236-L258 PolarHBondContact N-O 2.85Å; I236-V259 HydrophobicContact CB-CB 4.45Å; I236-V259 HydrophobicContact CB-CG1 4.28Å; I236-V259 HydrophobicContact CB-CG2 4.14Å; I236-V259 HydrophobicContact CG1-CG2 4.41Å; I236-V259 HydrophobicContact CG2-CG1 4.24Å; I236-V259 CarbonylContact O-C 3.6Å; I236-V259 WeakPolarHBondContact O-CA 3.44Å; I236-D260 PolarHBondContact O-N 2.81Å
237	N	98.8	Very high	98.2	Very high	46 Å²	46	64.6 Å²	64.6	25%	0.246	32%	0.32	C	S	.	.			trans	-138.2	179.4	-175.2	59.5	57.5	0	0	0	110.9	H234 F239 T240 V241 D260	H234-N237 HydrophobicContact CB-CB 4.39Å; H234-N237 WeakPolarHBondContact O-CB 3.41Å; H234-N237 PolarHBondContact O-ND2 3.17Å; N237-F239 PolarHBondContact O-N 2.92Å; N237-F239 VanDerWaalsContact O-N 3.07Å; N237-F239 WeakPolarHBondContact OD1-CA 3.48Å; N237-F239 WeakPolarHBondContact OD1-CB 3.31Å; N237-F239 PolarHBondContact OD1-N 3.45Å; N237-T240 PolarHBondContact N-OG1 2.93Å; N237-T240 PolarHBondContact O-N 2.87Å; N237-T240 PolarHBondContact O-OG1 3.34Å; N237-T240 PolarHBondContact OD1-N 3.24Å; N237-T240 PolarHBondContact OD1-OG1 2.95Å; N237-V241 WeakPolarHBondContact O-CB 3.48Å; N237-V241 VanDerWaalsContact O-CG2 3.23Å; N237-V241 WeakPolarHBondContact O-CG2 3.11Å; N237-V241 PolarHBondContact O-N 3.14Å; N237-D260 HydrophobicContact CB-CB 4.36Å
238	D	98.4	Very high	98.3	Very high	75 Å²	75	62.3 Å²	62.3	40%	0.401	30%	0.297	S	S	.	.	H	α-helix	trans	-54.1	-31.5	-178.1	174.8	68.6	0	0	0	114	K242 A263	D238-K242 WeakPolarHBondContact O-CD 3.42Å; D238-K242 VanDerWaalsContact O-CE 3.28Å; D238-K242 WeakPolarHBondContact O-CE 3.43Å; D238-K242 VanDerWaalsContact O-CG 3.27Å; D238-K242 WeakPolarHBondContact O-CG 3.43Å; D238-K242 WeakPolarHBondContact OD1-CE 3.4Å; D238-K242 IonicContact OD1-NZ 2.97Å; D238-K242 PolarHBondContact OD1-NZ 3.39Å; D238-K242 IonicContact OD2-NZ 2.6Å; D238-K242 PolarHBondContact OD2-NZ 2.94Å; D238-A263 HydrophobicContact CB-CB 4.08Å; D238-A263 VanDerWaalsContact N-CB 3.33Å
239	F	98.8	Very high	98.3	Very high	138 Å²	138	60.5 Å²	60.5	61%	0.605	29%	0.287	S	S	*	.	H	α-helix	trans	-77.7	-50.2	175.6	177.6	-102.7	0	0	0	112.3	N237 K242	N237-F239 PolarHBondContact O-N 2.92Å; N237-F239 VanDerWaalsContact O-N 3.07Å; N237-F239 WeakPolarHBondContact OD1-CA 3.48Å; N237-F239 WeakPolarHBondContact OD1-CB 3.31Å; N237-F239 PolarHBondContact OD1-N 3.45Å; F239-K242 WeakPolarHBondContact O-CB 3.37Å; F239-K242 PolarHBondContact O-N 3.39Å
240	T	98.8	Very high	98.4	Very high	12 Å²	12	57.8 Å²	57.8	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-71.7	-31.2	-177.3	50.5	0	0	0	0	112.7	L212 L216 L235 I236 N237 K242 Q243 M244	L212-T240 HydrophobicContact CD2-CG2 3.91Å; L216-T240 HydrophobicContact CD1-CG2 4.44Å; L216-T240 WeakPolarHBondContact CD1-O 3.27Å; L235-T240 PolarHBondContact O-OG1 2.86Å; I236-T240 WeakPolarHBondContact CA-OG1 3.4Å; N237-T240 PolarHBondContact N-OG1 2.93Å; N237-T240 PolarHBondContact O-N 2.87Å; N237-T240 PolarHBondContact O-OG1 3.34Å; N237-T240 PolarHBondContact OD1-N 3.24Å; N237-T240 PolarHBondContact OD1-OG1 2.95Å; T240-K242 PolarHBondContact O-N 3.34Å; T240-Q243 WeakPolarHBondContact O-CB 3.37Å; T240-Q243 PolarHBondContact O-N 3.27Å; T240-M244 PolarHBondContact O-N 3.45Å
241	V	98.7	Very high	98.6	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-28.9	172.2	176.4	0	0	0	0	112	I236 N237 Q243 M244 A267 I273	I236-V241 HydrophobicContact CG2-CG2 3.44Å; I236-V241 VanDerWaalsContact CG2-CG2 3.44Å; N237-V241 WeakPolarHBondContact O-CB 3.48Å; N237-V241 VanDerWaalsContact O-CG2 3.23Å; N237-V241 WeakPolarHBondContact O-CG2 3.11Å; N237-V241 PolarHBondContact O-N 3.14Å; V241-Q243 PolarHBondContact O-N 3.29Å; V241-M244 HydrophobicContact CG1-SD 4.48Å; V241-M244 HydrophobicContact CG2-SD 4.43Å; V241-M244 WeakPolarHBondContact O-CB 3.46Å; V241-M244 PolarHBondContact O-N 2.88Å; V241-A267 HydrophobicContact CG1-CB 3.54Å; V241-I273 HydrophobicContact CG1-CD1 3.75Å; V241-I273 HydrophobicContact CG1-CG1 4.2Å; V241-I273 HydrophobicContact CG2-CD1 4.46Å
242	K	98.3	Very high	98.7	Very high	120 Å²	120	43.2 Å²	43.2	52%	0.522	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.2	173.5	-69.2	164.3	-172.6	164	0	113.5	D238 F239 T240	D238-K242 WeakPolarHBondContact O-CD 3.42Å; D238-K242 VanDerWaalsContact O-CE 3.28Å; D238-K242 WeakPolarHBondContact O-CE 3.43Å; D238-K242 VanDerWaalsContact O-CG 3.27Å; D238-K242 WeakPolarHBondContact O-CG 3.43Å; D238-K242 WeakPolarHBondContact OD1-CE 3.4Å; D238-K242 IonicContact OD1-NZ 2.97Å; D238-K242 PolarHBondContact OD1-NZ 3.39Å; D238-K242 IonicContact OD2-NZ 2.6Å; D238-K242 PolarHBondContact OD2-NZ 2.94Å; F239-K242 WeakPolarHBondContact O-CB 3.37Å; F239-K242 PolarHBondContact O-N 3.39Å; T240-K242 PolarHBondContact O-N 3.34Å
243	Q	98.6	Very high	98.7	Very high	37 Å²	37	43.1 Å²	43.1	17%	0.173	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.7	174.2	-54.8	-178.1	-16.8	0	0	112.8	L216 F217 T240 V241	L216-Q243 CarbonylContact C-O 3.4Å; L216-Q243 HydrophobicContact CB-CB 4.2Å; L216-Q243 HydrophobicContact CD1-CB 4.24Å; F217-Q243 PolarHBondContact N-O 2.78Å; T240-Q243 WeakPolarHBondContact O-CB 3.37Å; T240-Q243 PolarHBondContact O-N 3.27Å; V241-Q243 PolarHBondContact O-N 3.29Å
244	M	98.8	Very high	98.7	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.079	18%	0.184	C	C	.	.	S	Bend	trans	-69.2	151.4	174.8	-64.6	179.5	67.3	0	0	111.1	L216 V222 T240 V241 A248 L250 I273	L216-M244 HydrophobicContact CB-CG 4.13Å; L216-M244 HydrophobicContact CD2-CG 3.94Å; L216-M244 HydrophobicContact CG-CG 4.41Å; L216-M244 WeakPolarHBondContact O-CA 3.19Å; V222-M244 HydrophobicContact CB-CE 4.13Å; V222-M244 HydrophobicContact CG2-CE 3.94Å; T240-M244 PolarHBondContact O-N 3.45Å; V241-M244 HydrophobicContact CG1-SD 4.48Å; V241-M244 HydrophobicContact CG2-SD 4.43Å; V241-M244 WeakPolarHBondContact O-CB 3.46Å; V241-M244 PolarHBondContact O-N 2.88Å; M244-A248 HydrophobicContact CE-CB 4.17Å; M244-L250 HydrophobicContact CE-CB 4.39Å; M244-L250 HydrophobicContact CE-CD1 4.44Å; M244-I273 HydrophobicContact CE-CD1 4.21Å; M244-I273 HydrophobicContact CE-CG1 4.33Å; M244-I273 HydrophobicContact SD-CD1 3.99Å; M244-I273 HydrophobicContact SD-CG1 4.42Å
245	R	98.5	Very high	98.7	Very high	89 Å²	89	37.5 Å²	37.5	34%	0.336	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-58.5	142	171.8	-68.6	-173	170.3	178.8	-0.1	111.5	L216 F217 H218 S219 D220 G247 A248	L216-R245 PolarHBondContact O-N 3.26Å; F217-R245 VanDerWaalsContact O-CG 3.26Å; F217-R245 WeakPolarHBondContact O-CG 3.22Å; F217-R245 PolarHBondContact O-NE 2.61Å; H218-R245 PolarHBondContact O-NH1 3.37Å; H218-R245 PolarHBondContact O-NH2 3.32Å; S219-R245 WeakPolarHBondContact O-CD 3.31Å; D220-R245 VanDerWaalsContact CG-NH1 3.3Å; D220-R245 VanDerWaalsContact OD1-CD 3.26Å; D220-R245 WeakPolarHBondContact OD1-CD 3.29Å; D220-R245 IonicContact OD1-CZ 3.66Å; D220-R245 IonicContact OD1-NE 3.87Å; D220-R245 IonicContact OD1-NH1 2.7Å; D220-R245 PolarHBondContact OD1-NH1 3.11Å; D220-R245 IonicContact OD2-NH1 3.23Å; D220-R245 PolarHBondContact OD2-NH1 3.04Å; R245-G247 PolarHBondContact O-N 3.38Å; R245-A248 HydrophobicContact CB-CB 4.22Å; R245-A248 WeakPolarHBondContact O-CB 3.42Å; R245-A248 PolarHBondContact O-N 2.75Å
246	Q	98.5	Very high	98.7	Very high	143 Å²	143	36.3 Å²	36.3	67%	0.668	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	121	174.3	-178.1	65.9	31.1	0	0	110.5	G271	Q246-G271 PolarHBondContact NE2-O 3.43Å
247	G	97.9	Very high	98.7	Very high	14 Å²	14	36.9 Å²	36.9	14%	0.144	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	24.5	-178.3	0	0	0	0	0	114.1	R245 R272 R274	R245-G247 PolarHBondContact O-N 3.38Å; G247-R272 WeakPolarHBondContact CA-O 3.32Å; G247-R272 PolarHBondContact N-O 3.5Å; G247-R274 WeakPolarHBondContact O-CB 3.22Å; G247-R274 PolarHBondContact O-NE 2.94Å
248	A	98.8	Very high	98.7	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	164.3	169.1	0	0	0	0	0	112.5	D220 M244 R245 I273 R274	D220-A248 CarbonylContact O-C 3.54Å; D220-A248 WeakPolarHBondContact O-CA 3.38Å; D220-A248 WeakPolarHBondContact O-CB 3.46Å; M244-A248 HydrophobicContact CE-CB 4.17Å; R245-A248 HydrophobicContact CB-CB 4.22Å; R245-A248 WeakPolarHBondContact O-CB 3.42Å; R245-A248 PolarHBondContact O-N 2.75Å; A248-I273 CarbonylContact O-C 3.58Å; A248-I273 WeakPolarHBondContact O-CA 3.42Å; A248-R274 PolarHBondContact O-N 2.83Å
249	F	98.9	Very high	98.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.5	170.7	-70.3	-58.3	0	0	0	112	L128 Y129 D220 C221 V222 R274 G275	L128-F249 HydrophobicContact CB-CD1 3.77Å; L128-F249 HydrophobicContact CB-CD2 4.37Å; L128-F249 HydrophobicContact CB-CE1 3.78Å; L128-F249 HydrophobicContact CB-CE2 4.37Å; L128-F249 HydrophobicContact CB-CG 4.05Å; L128-F249 HydrophobicContact CB-CZ 4.07Å; L128-F249 HydrophobicContact CD1-CB 3.96Å; L128-F249 HydrophobicContact CD1-CD1 3.99Å; L128-F249 HydrophobicContact CD1-CG 4.15Å; L128-F249 HydrophobicContact CD2-CD1 4.27Å; L128-F249 HydrophobicContact CD2-CE1 4.42Å; L128-F249 HydrophobicContact CG-CD1 4.23Å; L128-F249 WeakPolarHBondContact O-CZ 3.45Å; Y129-F249 HydrophobicContact CD1-CE2 4.11Å; Y129-F249 AromaticContact CD2-CD2 3.99Å; Y129-F249 HydrophobicContact CD2-CD2 3.99Å; Y129-F249 HydrophobicContact CD2-CE2 4.02Å; Y129-F249 HydrophobicContact CE1-CD2 4.31Å; Y129-F249 HydrophobicContact CE1-CE2 4.06Å; Y129-F249 AromaticContact CE2-CD2 3.64Å; Y129-F249 HydrophobicContact CE2-CD2 3.64Å; Y129-F249 HydrophobicContact CE2-CE2 4.02Å; Y129-F249 HydrophobicContact CG-CD2 4.48Å; Y129-F249 HydrophobicContact CG-CE2 4.06Å; Y129-F249 AromaticContact CZ-CD2 3.8Å; D220-F249 PolarHBondContact O-N 3.24Å; C221-F249 WeakPolarHBondContact CA-O 3.38Å; C221-F249 HydrophobicContact CB-CB 4.1Å; V222-F249 PolarHBondContact N-O 3.04Å; F249-R274 HydrophobicContact CD1-CB 4.23Å; F249-R274 HydrophobicContact CD1-CG 4.43Å; F249-R274 HydrophobicContact CE1-CB 4.04Å; F249-R274 HydrophobicContact CE1-CG 3.74Å; F249-R274 HydrophobicContact CZ-CG 4.07Å; F249-G275 WeakPolarHBondContact CA-O 3.29Å
250	L	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.8	173	-177.5	65.3	0	0	0	111	V222 I236 M244 V259 L264 I273 G275 A276 A277	V222-L250 HydrophobicContact CB-CD1 4.13Å; V222-L250 HydrophobicContact CG1-CD1 4.09Å; V222-L250 CarbonylContact O-C 3.54Å; V222-L250 WeakPolarHBondContact O-CA 3.46Å; I236-L250 HydrophobicContact CG2-CD2 4.1Å; M244-L250 HydrophobicContact CE-CB 4.39Å; M244-L250 HydrophobicContact CE-CD1 4.44Å; L250-V259 HydrophobicContact CD2-CG1 4.43Å; L250-L264 HydrophobicContact CD2-CD1 3.87Å; L250-L264 HydrophobicContact CD2-CD2 4.2Å; L250-I273 HydrophobicContact CD2-CD1 4.48Å; L250-G275 PolarHBondContact N-O 3.26Å; L250-A276 HydrophobicContact CB-CB 4.34Å; L250-A276 CarbonylContact O-C 3.52Å; L250-A276 WeakPolarHBondContact O-CA 3.36Å; L250-A277 PolarHBondContact O-N 3.08Å
251	V	99	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.1	174.5	-177.5	0	0	0	0	110.2	T121 H124 I125 L128 V222 S223 L224 T253 A277	T121-V251 HydrophobicContact CG2-CG1 4.12Å; H124-V251 HydrophobicContact CB-CG1 3.96Å; I125-V251 HydrophobicContact CG1-CG2 3.83Å; L128-V251 HydrophobicContact CD1-CG2 3.74Å; V222-V251 PolarHBondContact O-N 2.82Å; S223-V251 WeakPolarHBondContact CA-O 3.43Å; L224-V251 PolarHBondContact N-O 3.5Å; V251-T253 HydrophobicContact CG1-CG2 4.34Å; V251-A277 VanDerWaalsContact CA-O 3.3Å; V251-A277 WeakPolarHBondContact CA-O 3.4Å; V251-A277 HydrophobicContact CG2-CB 4.35Å
252	N	98.9	Very high	98.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	110.6	174.3	-169.9	6.8	0	0	0	110.9	L224 A254 R255 A277 L278 D279 V280	L224-N252 HydrophobicContact CD1-CB 4.18Å; N252-A254 PolarHBondContact OD1-N 2.73Å; N252-R255 PolarHBondContact ND2-O 3.05Å; N252-R255 PolarHBondContact OD1-N 3.48Å; N252-A277 PolarHBondContact N-O 3.39Å; N252-L278 HydrophobicContact CB-CD2 3.71Å; N252-D279 PolarHBondContact O-N 3.02Å; N252-V280 HydrophobicContact CB-CG2 4.37Å
253	T	98.9	Very high	98.7	Very high	11 Å²	11	28 Å²	28	7%	0.067	14%	0.138	C	C	.	.			trans	-121.3	18.6	171.4	52.7	0	0	0	0	111.3	T121 H225 V251 D279 A306	T121-T253 WeakPolarHBondContact OG1-CG2 3.28Å; T121-T253 PolarHBondContact OG1-OG1 3Å; H225-T253 PolarHBondContact CE1-OG1 2.77Å; V251-T253 HydrophobicContact CG1-CG2 4.34Å; T253-D279 HydrophobicContact CG2-CB 4.01Å; T253-A306 HydrophobicContact CG2-CB 4.29Å
254	A	98.7	Very high	98.7	Very high	12 Å²	12	26.2 Å²	26.2	10%	0.099	13%	0.129	C	C	.	.	S	Bend	trans	-103.3	-81.6	-177.5	0	0	0	0	0	112	L224 C226 N252 L258	L224-A254 HydrophobicContact CB-CB 4.37Å; L224-A254 VanDerWaalsContact O-CB 3.31Å; L224-A254 WeakPolarHBondContact O-CB 3.48Å; C226-A254 WeakPolarHBondContact O-CB 3.42Å; N252-A254 PolarHBondContact OD1-N 2.73Å; A254-L258 HydrophobicContact CB-CD1 3.69Å
255	R	98.8	Very high	98.7	Very high	32 Å²	32	25.7 Å²	25.7	12%	0.121	13%	0.128	C	C	.	.			trans	-146.6	142.1	177.6	-69.9	-61.3	179.2	-116.2	21.1	111.6	D92 L228 N252 L258	D92-R255 VanDerWaalsContact CG-NE 3.3Å; D92-R255 IonicContact OD1-CZ 2.99Å; D92-R255 IonicContact OD1-NE 2.68Å; D92-R255 PolarHBondContact OD1-NE 2.68Å; D92-R255 IonicContact OD1-NH2 3.32Å; D92-R255 WeakPolarHBondContact OD2-CD 3.48Å; D92-R255 IonicContact OD2-NE 3.25Å; D92-R255 PolarHBondContact OD2-NE 3.36Å; L228-R255 HydrophobicContact CB-CB 3.88Å; L228-R255 HydrophobicContact CB-CG 3.84Å; L228-R255 HydrophobicContact CD2-CB 4.38Å; N252-R255 PolarHBondContact ND2-O 3.05Å; N252-R255 PolarHBondContact OD1-N 3.48Å; R255-L258 HydrophobicContact CB-CD1 4.14Å; R255-L258 HydrophobicContact CB-CG 4.13Å; R255-L258 WeakPolarHBondContact O-CB 3.37Å; R255-L258 PolarHBondContact O-N 3.39Å
256	G	98.5	Very high	98.7	Very high	6 Å²	6	25.7 Å²	25.7	6%	0.062	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-56.4	-53.2	-179.9	0	0	0	0	0	113.3	L258 V259 H281	G256-L258 PolarHBondContact O-N 2.89Å; G256-V259 PolarHBondContact O-N 2.83Å; G256-H281 VanDerWaalsContact CA-C 3.43Å; G256-H281 WeakPolarHBondContact CA-O 3.35Å
257	G	98.5	Very high	98.8	Very high	13 Å²	13	18.9 Å²	18.9	13%	0.134	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-61.1	1.8	-179.8	0	0	0	0	0	116.7	H233 H234 V259	H233-G257 CarbonylContact C-O 3.3Å; H233-G257 WeakPolarHBondContact CA-O 3.19Å; H234-G257 PolarHBondContact N-O 2.9Å; G257-V259 VanDerWaalsContact C-N 3.29Å
258	L	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-77.2	-15.5	166.8	-63.6	171.1	0	0	0	112.8	L224 L228 N232 H234 L235 I236 A254 R255 G256	L224-L258 HydrophobicContact CB-CD1 4.39Å; L224-L258 HydrophobicContact CD1-CB 3.94Å; L224-L258 HydrophobicContact CD1-CD1 4.39Å; L228-L258 HydrophobicContact CB-CD2 4.35Å; L228-L258 HydrophobicContact CD1-CD2 3.87Å; L228-L258 HydrophobicContact CD1-CG 4.35Å; N232-L258 HydrophobicContact CB-CD2 4.34Å; H234-L258 CarbonylContact C-O 3.59Å; L235-L258 PolarHBondContact N-O 3.24Å; I236-L258 PolarHBondContact N-O 2.85Å; A254-L258 HydrophobicContact CB-CD1 3.69Å; R255-L258 HydrophobicContact CB-CD1 4.14Å; R255-L258 HydrophobicContact CB-CG 4.13Å; R255-L258 WeakPolarHBondContact O-CB 3.37Å; R255-L258 PolarHBondContact O-N 3.39Å; G256-L258 PolarHBondContact O-N 2.89Å
259	V	98.9	Very high	98.8	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-125.1	131.5	-176	-174.4	0	0	0	0	109.5	L224 H234 I236 L250 G256 G257 E261 L264 E282	L224-V259 HydrophobicContact CD1-CG2 3.54Å; H234-V259 PolarHBondContact CD2-O 2.99Å; I236-V259 HydrophobicContact CB-CB 4.45Å; I236-V259 HydrophobicContact CB-CG1 4.28Å; I236-V259 HydrophobicContact CB-CG2 4.14Å; I236-V259 HydrophobicContact CG1-CG2 4.41Å; I236-V259 HydrophobicContact CG2-CG1 4.24Å; I236-V259 CarbonylContact O-C 3.6Å; I236-V259 WeakPolarHBondContact O-CA 3.44Å; L250-V259 HydrophobicContact CD2-CG1 4.43Å; G256-V259 PolarHBondContact O-N 2.83Å; G257-V259 VanDerWaalsContact C-N 3.29Å; V259-E261 PolarHBondContact O-N 3.45Å; V259-L264 HydrophobicContact CG1-CB 4.1Å; V259-L264 HydrophobicContact CG1-CD2 4.04Å; V259-E282 WeakPolarHBondContact O-CG 3.46Å
260	D	98.9	Very high	98.8	Very high	32 Å²	32	27.9 Å²	27.9	17%	0.171	14%	0.136	C	C	.	.			trans	-76.3	107.2	163.3	172.2	-8.1	0	0	0	108.4	H234 I236 N237 K262 A263 L264	H234-D260 HydrophobicContact CB-CB 4.32Å; I236-D260 PolarHBondContact O-N 2.81Å; N237-D260 HydrophobicContact CB-CB 4.36Å; D260-K262 PolarHBondContact O-N 3.09Å; D260-K262 WeakPolarHBondContact OD1-CA 3.48Å; D260-K262 VanDerWaalsContact OD1-CB 3.28Å; D260-K262 WeakPolarHBondContact OD1-CB 3.29Å; D260-K262 PolarHBondContact OD1-N 2.89Å; D260-A263 HydrophobicContact CB-CB 3.93Å; D260-A263 PolarHBondContact O-N 3Å; D260-A263 PolarHBondContact OD1-N 2.95Å; D260-L264 PolarHBondContact O-N 2.98Å
261	E	98.8	Very high	98.7	Very high	13 Å²	13	29.5 Å²	29.5	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-25.2	-178.1	-76.4	-174.3	-168.3	0	0	113.1	V259 A265 H281 E282 P292 L293	V259-E261 PolarHBondContact O-N 3.45Å; E261-A265 WeakPolarHBondContact O-CB 3.42Å; E261-A265 PolarHBondContact O-N 2.93Å; E261-H281 WeakPolarHBondContact OE1-CA 3.43Å; E261-H281 WeakPolarHBondContact OE1-CB 3.34Å; E261-E282 WeakPolarHBondContact CB-OE1 3.41Å; E261-E282 HydrophobicContact CG-CB 4.44Å; E261-E282 HydrophobicContact CG-CG 4.04Å; E261-E282 PolarHBondContact N-OE1 3.06Å; E261-E282 PolarHBondContact OE1-N 2.57Å; E261-P292 HydrophobicContact CB-CB 4.01Å; E261-P292 HydrophobicContact CB-CG 3.94Å; E261-L293 HydrophobicContact CB-CD1 4.34Å; E261-L293 HydrophobicContact CB-CG 4.12Å; E261-L293 HydrophobicContact CG-CD1 3.85Å; E261-L293 HydrophobicContact CG-CG 4.19Å
262	K	98.8	Very high	98.7	Very high	152 Å²	152	31.5 Å²	31.5	66%	0.661	16%	0.161	S	C	*	.	H	α-helix	trans	-73.6	-44	176.7	-59.8	165.9	-175.6	162.4	0	110.1	D260 L264 A265 Q266 P292	D260-K262 PolarHBondContact O-N 3.09Å; D260-K262 WeakPolarHBondContact OD1-CA 3.48Å; D260-K262 VanDerWaalsContact OD1-CB 3.28Å; D260-K262 WeakPolarHBondContact OD1-CB 3.29Å; D260-K262 PolarHBondContact OD1-N 2.89Å; K262-L264 VanDerWaalsContact C-N 3.33Å; K262-A265 PolarHBondContact O-N 2.86Å; K262-Q266 PolarHBondContact O-N 2.81Å; K262-P292 HydrophobicContact CG-CB 3.81Å; K262-P292 HydrophobicContact CG-CG 3.82Å
263	A	98.8	Very high	98.7	Very high	7 Å²	7	31.5 Å²	31.5	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-42.9	174	0	0	0	0	0	111.5	D238 D260 A267	D238-A263 HydrophobicContact CB-CB 4.08Å; D238-A263 VanDerWaalsContact N-CB 3.33Å; D260-A263 HydrophobicContact CB-CB 3.93Å; D260-A263 PolarHBondContact O-N 3Å; D260-A263 PolarHBondContact OD1-N 2.95Å; A263-A267 WeakPolarHBondContact O-CB 3.14Å; A263-A267 PolarHBondContact O-N 2.8Å
264	L	98.9	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-47.9	175.5	179	58	0	0	0	112.2	L250 V259 D260 K262 Q266 A267 L268 I273 A276 L278 L293	L250-L264 HydrophobicContact CD2-CD1 3.87Å; L250-L264 HydrophobicContact CD2-CD2 4.2Å; V259-L264 HydrophobicContact CG1-CB 4.1Å; V259-L264 HydrophobicContact CG1-CD2 4.04Å; D260-L264 PolarHBondContact O-N 2.98Å; K262-L264 VanDerWaalsContact C-N 3.33Å; L264-Q266 VanDerWaalsContact C-N 3.28Å; L264-Q266 PolarHBondContact O-N 3.09Å; L264-A267 PolarHBondContact O-N 3.08Å; L264-A267 VanDerWaalsContact O-N 3.15Å; L264-L268 HydrophobicContact CD1-CD1 4.06Å; L264-L268 HydrophobicContact CD1-CG 4.09Å; L264-L268 HydrophobicContact CG-CD1 3.98Å; L264-L268 HydrophobicContact CG-CG 4.48Å; L264-L268 WeakPolarHBondContact O-CG 3.2Å; L264-L268 PolarHBondContact O-N 3.34Å; L264-I273 HydrophobicContact CD1-CD1 3.59Å; L264-I273 HydrophobicContact CD1-CG2 4.46Å; L264-A276 HydrophobicContact CD1-CB 4.11Å; L264-A276 HydrophobicContact CD2-CB 4.16Å; L264-L278 HydrophobicContact CD2-CD1 3.91Å; L264-L278 HydrophobicContact CD2-CD2 4.15Å; L264-L293 HydrophobicContact CD2-CD2 4.27Å; L264-L293 HydrophobicContact CG-CD2 4.29Å
265	A	98.8	Very high	98.7	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-42.9	178.3	0	0	0	0	0	111.9	E261 K262 K269 P292 L293 A296	E261-A265 WeakPolarHBondContact O-CB 3.42Å; E261-A265 PolarHBondContact O-N 2.93Å; K262-A265 PolarHBondContact O-N 2.86Å; A265-K269 VanDerWaalsContact O-CG 3.29Å; A265-K269 WeakPolarHBondContact O-CG 3.41Å; A265-K269 PolarHBondContact O-N 3.01Å; A265-K269 VanDerWaalsContact O-N 3.12Å; A265-P292 WeakPolarHBondContact CB-O 3.28Å; A265-L293 HydrophobicContact CB-CD2 4.12Å; A265-A296 HydrophobicContact CB-CB 4.4Å
266	Q	98.8	Very high	98.7	Very high	90 Å²	90	34.1 Å²	34.1	42%	0.421	17%	0.167	S	C	.	.	H	α-helix	trans	-68.6	-41.4	177.3	-170.9	62	19.4	0	0	111.9	K262 L264 L268 K269 E270	K262-Q266 PolarHBondContact O-N 2.81Å; L264-Q266 VanDerWaalsContact C-N 3.28Å; L264-Q266 PolarHBondContact O-N 3.09Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 2.89Å; Q266-K269 PolarHBondContact O-N 2.83Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.35Å; Q266-E270 PolarHBondContact NE2-OE1 3.29Å; Q266-E270 WeakPolarHBondContact O-CB 3.29Å; Q266-E270 WeakPolarHBondContact O-CG 3.41Å; Q266-E270 PolarHBondContact O-N 3.28Å
267	A	98.8	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-32.8	178.4	0	0	0	0	0	113.6	V241 A263 L264 G271 R272 I273	V241-A267 HydrophobicContact CG1-CB 3.54Å; A263-A267 WeakPolarHBondContact O-CB 3.14Å; A263-A267 PolarHBondContact O-N 2.8Å; L264-A267 PolarHBondContact O-N 3.08Å; L264-A267 VanDerWaalsContact O-N 3.15Å; A267-G271 PolarHBondContact O-N 3Å; A267-R272 HydrophobicContact CB-CB 4.27Å; A267-R272 PolarHBondContact O-N 3.34Å; A267-I273 HydrophobicContact CB-CB 4.4Å; A267-I273 HydrophobicContact CB-CD1 4.05Å; A267-I273 HydrophobicContact CB-CG1 4.14Å; A267-I273 PolarHBondContact O-N 3.18Å; A267-I273 VanDerWaalsContact O-N 3.1Å
268	L	98.8	Very high	98.7	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-46.1	171.6	-71.3	166.6	0	0	0	111.2	L264 Q266 E270 G271 I273 A276 A296 P297 L299	L264-L268 HydrophobicContact CD1-CD1 4.06Å; L264-L268 HydrophobicContact CD1-CG 4.09Å; L264-L268 HydrophobicContact CG-CD1 3.98Å; L264-L268 HydrophobicContact CG-CG 4.48Å; L264-L268 WeakPolarHBondContact O-CG 3.2Å; L264-L268 PolarHBondContact O-N 3.34Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 2.89Å; L268-E270 VanDerWaalsContact C-N 3.3Å; L268-E270 PolarHBondContact O-N 3.15Å; L268-G271 PolarHBondContact O-N 3.39Å; L268-G271 VanDerWaalsContact O-N 3.07Å; L268-I273 HydrophobicContact CD2-CB 4.16Å; L268-I273 HydrophobicContact CD2-CG2 3.67Å; L268-I273 HydrophobicContact CG-CG2 4.44Å; L268-A276 HydrophobicContact CD1-CB 4.32Å; L268-A276 HydrophobicContact CD2-CB 4.3Å; L268-A296 HydrophobicContact CD1-CB 3.98Å; L268-P297 HydrophobicContact CB-CG 4.28Å; L268-P297 WeakPolarHBondContact O-CG 3.43Å; L268-L299 HydrophobicContact CD1-CD1 4.47Å
269	K	98.8	Very high	98.7	Very high	103 Å²	103	33.6 Å²	33.6	45%	0.448	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-34.7	177.5	-73.4	170.4	-179.3	177.2	0	113.1	A265 Q266 D295	A265-K269 VanDerWaalsContact O-CG 3.29Å; A265-K269 WeakPolarHBondContact O-CG 3.41Å; A265-K269 PolarHBondContact O-N 3.01Å; A265-K269 VanDerWaalsContact O-N 3.12Å; Q266-K269 PolarHBondContact O-N 2.83Å; K269-D295 WeakPolarHBondContact CE-O 3.42Å
270	E	98.4	Very high	98.7	Very high	100 Å²	100	33.5 Å²	33.5	47%	0.467	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.9	175.3	-70.4	174.2	-165.5	0	0	113.9	Q266 L268 R272	Q266-E270 WeakPolarHBondContact CG-OE1 3.35Å; Q266-E270 PolarHBondContact NE2-OE1 3.29Å; Q266-E270 WeakPolarHBondContact O-CB 3.29Å; Q266-E270 WeakPolarHBondContact O-CG 3.41Å; Q266-E270 PolarHBondContact O-N 3.28Å; L268-E270 VanDerWaalsContact C-N 3.3Å; L268-E270 PolarHBondContact O-N 3.15Å; E270-R272 PolarHBondContact O-N 3.11Å; E270-R272 IonicContact OE1-NH2 2.71Å; E270-R272 IonicContact OE2-CZ 3.93Å; E270-R272 IonicContact OE2-NE 2.8Å; E270-R272 PolarHBondContact OE2-NE 2.88Å; E270-R272 IonicContact OE2-NH2 3.14Å; E270-R272 PolarHBondContact OE2-NH2 2.99Å
271	G	97.8	Very high	98.7	Very high	35 Å²	35	32.3 Å²	32.3	36%	0.361	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	14.3	-175.7	0	0	0	0	0	114.9	Q246 A267 L268 I273	Q246-G271 PolarHBondContact NE2-O 3.43Å; A267-G271 PolarHBondContact O-N 3Å; L268-G271 PolarHBondContact O-N 3.39Å; L268-G271 VanDerWaalsContact O-N 3.07Å; G271-I273 VanDerWaalsContact C-N 3.34Å
272	R	98.4	Very high	98.7	Very high	41 Å²	41	35.3 Å²	35.3	16%	0.155	17%	0.167	C	C	.	.	S	Bend	trans	-63.3	-42	169.5	-85.1	-172.5	-74.3	123	-5.3	110.9	G247 A267 E270	G247-R272 WeakPolarHBondContact CA-O 3.32Å; G247-R272 PolarHBondContact N-O 3.5Å; A267-R272 HydrophobicContact CB-CB 4.27Å; A267-R272 PolarHBondContact O-N 3.34Å; E270-R272 PolarHBondContact O-N 3.11Å; E270-R272 IonicContact OE1-NH2 2.71Å; E270-R272 IonicContact OE2-CZ 3.93Å; E270-R272 IonicContact OE2-NE 2.8Å; E270-R272 PolarHBondContact OE2-NE 2.88Å; E270-R272 IonicContact OE2-NH2 3.14Å; E270-R272 PolarHBondContact OE2-NH2 2.99Å
273	I	98.8	Very high	98.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.1	165.5	-69.3	175.8	0	0	0	107.1	V241 M244 A248 L250 L264 A267 L268 G271 G275	V241-I273 HydrophobicContact CG1-CD1 3.75Å; V241-I273 HydrophobicContact CG1-CG1 4.2Å; V241-I273 HydrophobicContact CG2-CD1 4.46Å; M244-I273 HydrophobicContact CE-CD1 4.21Å; M244-I273 HydrophobicContact CE-CG1 4.33Å; M244-I273 HydrophobicContact SD-CD1 3.99Å; M244-I273 HydrophobicContact SD-CG1 4.42Å; A248-I273 CarbonylContact O-C 3.58Å; A248-I273 WeakPolarHBondContact O-CA 3.42Å; L250-I273 HydrophobicContact CD2-CD1 4.48Å; L264-I273 HydrophobicContact CD1-CD1 3.59Å; L264-I273 HydrophobicContact CD1-CG2 4.46Å; A267-I273 HydrophobicContact CB-CB 4.4Å; A267-I273 HydrophobicContact CB-CD1 4.05Å; A267-I273 HydrophobicContact CB-CG1 4.14Å; A267-I273 PolarHBondContact O-N 3.18Å; A267-I273 VanDerWaalsContact O-N 3.1Å; L268-I273 HydrophobicContact CD2-CB 4.16Å; L268-I273 HydrophobicContact CD2-CG2 3.67Å; L268-I273 HydrophobicContact CG-CG2 4.44Å; G271-I273 VanDerWaalsContact C-N 3.34Å; I273-G275 VanDerWaalsContact C-N 3.34Å; I273-G275 VanDerWaalsContact CG2-O 3.26Å; I273-G275 WeakPolarHBondContact CG2-O 3.35Å
274	R	98.7	Very high	98.5	Very high	109 Å²	109	35.5 Å²	35.5	41%	0.411	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-24.6	-178.5	178.5	-170	-60.9	-105.9	0.7	112.7	G247 A248 F249 N298	G247-R274 WeakPolarHBondContact O-CB 3.22Å; G247-R274 PolarHBondContact O-NE 2.94Å; A248-R274 PolarHBondContact O-N 2.83Å; F249-R274 HydrophobicContact CD1-CB 4.23Å; F249-R274 HydrophobicContact CD1-CG 4.43Å; F249-R274 HydrophobicContact CE1-CB 4.04Å; F249-R274 HydrophobicContact CE1-CG 3.74Å; F249-R274 HydrophobicContact CZ-CG 4.07Å; R274-N298 VanDerWaalsContact O-CB 3.26Å; R274-N298 WeakPolarHBondContact O-CB 3.46Å
275	G	98.9	Very high	98.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	160.1	174.2	0	0	0	0	0	111.6	F249 L250 I273 N298	F249-G275 WeakPolarHBondContact CA-O 3.29Å; L250-G275 PolarHBondContact N-O 3.26Å; I273-G275 VanDerWaalsContact C-N 3.34Å; I273-G275 VanDerWaalsContact CG2-O 3.26Å; I273-G275 WeakPolarHBondContact CG2-O 3.35Å; G275-N298 CarbonylContact C-O 3.54Å; G275-N298 WeakPolarHBondContact CA-O 3.29Å
276	A	98.9	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.1	178.1	0	0	0	0	0	111.5	L250 L264 L268 N298 L299 I300	L250-A276 HydrophobicContact CB-CB 4.34Å; L250-A276 CarbonylContact O-C 3.52Å; L250-A276 WeakPolarHBondContact O-CA 3.36Å; L264-A276 HydrophobicContact CD1-CB 4.11Å; L264-A276 HydrophobicContact CD2-CB 4.16Å; L268-A276 HydrophobicContact CD1-CB 4.32Å; L268-A276 HydrophobicContact CD2-CB 4.3Å; A276-N298 PolarHBondContact N-O 2.99Å; A276-L299 HydrophobicContact CB-CD1 4.02Å; A276-L299 CarbonylContact O-C 3.31Å; A276-L299 WeakPolarHBondContact O-CA 3.33Å; A276-I300 PolarHBondContact O-N 3.4Å
277	A	98.9	Very high	98.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	115.7	172.5	0	0	0	0	0	110.1	H124 L128 L250 V251 N252 I300	H124-A277 HydrophobicContact CB-CB 3.72Å; L128-A277 HydrophobicContact CD1-CB 3.9Å; L128-A277 HydrophobicContact CD2-CB 4.29Å; L128-A277 HydrophobicContact CG-CB 4.08Å; L250-A277 PolarHBondContact O-N 3.08Å; V251-A277 VanDerWaalsContact CA-O 3.3Å; V251-A277 WeakPolarHBondContact CA-O 3.4Å; V251-A277 HydrophobicContact CG2-CB 4.35Å; N252-A277 PolarHBondContact N-O 3.39Å; A277-I300 CarbonylContact C-O 3.51Å; A277-I300 VanDerWaalsContact CA-O 3.31Å; A277-I300 WeakPolarHBondContact CA-O 3.12Å; A277-I300 HydrophobicContact CB-CB 4.08Å; A277-I300 HydrophobicContact CB-CG2 4.48Å
278	L	98.9	Very high	98.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.2	-173.5	-52.3	179.6	0	0	0	109.6	N252 L264 H281 L293 L299 I300 C301 T302	N252-L278 HydrophobicContact CB-CD2 3.71Å; L264-L278 HydrophobicContact CD2-CD1 3.91Å; L264-L278 HydrophobicContact CD2-CD2 4.15Å; L278-H281 PolarHBondContact O-CE1 2.69Å; L278-L293 HydrophobicContact CD1-CD1 3.59Å; L278-L299 HydrophobicContact CD1-CD1 3.97Å; L278-L299 HydrophobicContact CG-CD1 4.1Å; L278-I300 PolarHBondContact N-O 3.18Å; L278-C301 CarbonylContact O-C 3.53Å; L278-C301 VanDerWaalsContact O-CA 3.22Å; L278-C301 WeakPolarHBondContact O-CA 3.47Å; L278-T302 PolarHBondContact O-N 3.48Å
279	D	98.9	Very high	98.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.269	C	S	.	.	S	Bend	trans	-86.4	-17.7	164.9	-170.4	60.7	0	0	0	111.7	N252 T253 T302 H304 A305 A306	N252-D279 PolarHBondContact O-N 3.02Å; T253-D279 HydrophobicContact CG2-CB 4.01Å; D279-T302 CarbonylContact C-O 3.59Å; D279-T302 WeakPolarHBondContact CA-OG1 3.39Å; D279-T302 WeakPolarHBondContact CB-OG1 3.34Å; D279-T302 WeakPolarHBondContact OD1-CB 3.45Å; D279-T302 PolarHBondContact OD1-OG1 3.5Å; D279-H304 WeakPolarHBondContact O-CA 3.16Å; D279-H304 PolarHBondContact O-N 3.28Å; D279-H304 WeakPolarHBondContact OD2-CA 3.4Å; D279-A305 PolarHBondContact OD1-N 3.21Å; D279-A305 PolarHBondContact OD2-N 3.24Å; D279-A306 HydrophobicContact CB-CB 4.2Å; D279-A306 PolarHBondContact OD1-N 3.09Å; D279-A306 WeakPolarHBondContact OD2-CB 3.43Å; D279-A306 PolarHBondContact OD2-N 2.73Å
280	V	98.9	Very high	98.1	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	28%	0.278	C	S	.	.			trans	-136.4	145.5	-171.2	-68	0	0	0	0	111.1	N252 E284 H304	N252-V280 HydrophobicContact CB-CG2 4.37Å; V280-E284 WeakPolarHBondContact CA-OE1 3.39Å; V280-E284 WeakPolarHBondContact CB-OE1 3.38Å; V280-H304 HydrophobicContact CG1-CB 4.46Å
281	H	98.8	Very high	98	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.032	28%	0.283	C	S	.	.			trans	-138.3	155.1	-164.5	-56.9	83.5	0	0	0	111	G256 E261 L278 S283 E284 F286 C301	G256-H281 VanDerWaalsContact CA-C 3.43Å; G256-H281 WeakPolarHBondContact CA-O 3.35Å; E261-H281 WeakPolarHBondContact OE1-CA 3.43Å; E261-H281 WeakPolarHBondContact OE1-CB 3.34Å; L278-H281 PolarHBondContact O-CE1 2.69Å; H281-S283 PolarHBondContact O-N 2.92Å; H281-E284 HydrophobicContact CB-CG 4.1Å; H281-E284 PolarHBondContact N-OE1 3.34Å; H281-F286 HydrophobicContact CB-CB 4.21Å; H281-F286 HydrophobicContact CB-CD2 4.09Å; H281-F286 HydrophobicContact CB-CG 4.49Å; H281-F286 AromaticContact CD2-CD2 3.19Å; H281-F286 WeakPolarHBondContact CD2-CD2 3.31Å; H281-F286 AromaticContact CD2-CE2 3.62Å; H281-F286 AromaticContact CD2-CG 3.57Å; H281-F286 AromaticContact CE1-CG 3.79Å; H281-F286 AromaticContact CG-CD2 3.54Å; H281-F286 AromaticContact CG-CG 3.71Å; H281-F286 AromaticContact ND1-CG 3.84Å; H281-F286 AromaticContact NE2-CD1 3.89Å; H281-F286 AromaticContact NE2-CD2 3.67Å; H281-F286 AromaticContact NE2-CE2 3.98Å; H281-F286 AromaticContact NE2-CG 3.61Å; H281-C301 PolarHBondContact NE2-SG 2.9Å
282	E	97.8	Very high	98	Very high	76 Å²	76	50.3 Å²	50.3	36%	0.355	28%	0.281	S	S	.	.	S	Bend	trans	-61.2	-30.7	-179.1	-76.3	-168.7	-104.3	0	0	112.4	H234 V259 E261	H234-E282 IonicContact CD2-OE2 2.75Å; H234-E282 IonicContact CE1-OE2 3.64Å; H234-E282 VanDerWaalsContact NE2-CD 3.31Å; H234-E282 IonicContact NE2-OE1 2.74Å; H234-E282 IonicContact NE2-OE2 3.85Å; H234-E282 PolarHBondContact NE2-OE2 3.36Å; V259-E282 WeakPolarHBondContact O-CG 3.46Å; E261-E282 WeakPolarHBondContact CB-OE1 3.41Å; E261-E282 HydrophobicContact CG-CB 4.44Å; E261-E282 HydrophobicContact CG-CG 4.04Å; E261-E282 PolarHBondContact N-OE1 3.06Å; E261-E282 PolarHBondContact OE1-N 2.57Å
283	S	97	Very high	98	Very high	93 Å²	93	48.4 Å²	48.4	65%	0.65	27%	0.274	S	S	*	.	S	Bend	trans	-129.1	119	174.8	-177.4	0	0	0	0	109.1	H281	H281-S283 PolarHBondContact O-N 2.92Å
284	E	96.9	Very high	97.9	Very high	70 Å²	70	53.6 Å²	53.6	33%	0.327	30%	0.296	S	S	.	.	S	Bend	trans	-115.8	143.4	177.8	-70.4	174.5	-170.3	0	0	110.2	H66 V280 H281 H304	H66-E284 IonicContact CD2-OE2 3.53Å; V280-E284 WeakPolarHBondContact CA-OE1 3.39Å; V280-E284 WeakPolarHBondContact CB-OE1 3.38Å; H281-E284 HydrophobicContact CB-CG 4.1Å; H281-E284 PolarHBondContact N-OE1 3.34Å; E284-H304 IonicContact OE1-ND1 2.72Å; E284-H304 IonicContact OE2-CE1 3.51Å; E284-H304 IonicContact OE2-CG 2.72Å; E284-H304 IonicContact OE2-ND1 3.47Å; E284-H304 PolarHBondContact OE2-ND1 2.78Å
285	P	97.3	Very high	97.8	Very high	128 Å²	128	53.7 Å²	53.7	83%	0.831	31%	0.305	S	S	*	.	S	Bend	cis	-72.2	138.3	3.7	30.5	-35.8	0	0	0	113.4
286	F	97.8	Very high	97.7	Very high	46 Å²	46	54.5 Å²	54.5	20%	0.202	31%	0.311	C	S	.	.			trans	-70.4	146.3	179.5	176.7	-101.7	0	0	0	112.6	H281 F288 L293 C301	H281-F286 HydrophobicContact CB-CB 4.21Å; H281-F286 HydrophobicContact CB-CD2 4.09Å; H281-F286 HydrophobicContact CB-CG 4.49Å; H281-F286 AromaticContact CD2-CD2 3.19Å; H281-F286 WeakPolarHBondContact CD2-CD2 3.31Å; H281-F286 AromaticContact CD2-CE2 3.62Å; H281-F286 AromaticContact CD2-CG 3.57Å; H281-F286 AromaticContact CE1-CG 3.79Å; H281-F286 AromaticContact CG-CD2 3.54Å; H281-F286 AromaticContact CG-CG 3.71Å; H281-F286 AromaticContact ND1-CG 3.84Å; H281-F286 AromaticContact NE2-CD1 3.89Å; H281-F286 AromaticContact NE2-CD2 3.67Å; H281-F286 AromaticContact NE2-CE2 3.98Å; H281-F286 AromaticContact NE2-CG 3.61Å; F286-F288 AromaticContact CE1-CD1 3.82Å; F286-F288 HydrophobicContact CE1-CD1 3.82Å; F286-F288 AromaticContact CE1-CD2 3.91Å; F286-F288 HydrophobicContact CE1-CD2 3.91Å; F286-F288 AromaticContact CE1-CE1 3.9Å; F286-F288 HydrophobicContact CE1-CE1 3.9Å; F286-F288 AromaticContact CE1-CE2 3.99Å; F286-F288 HydrophobicContact CE1-CE2 3.99Å; F286-F288 AromaticContact CE1-CG 3.83Å; F286-F288 HydrophobicContact CE1-CG 3.83Å; F286-F288 AromaticContact CE1-CZ 4Å; F286-F288 HydrophobicContact CE1-CZ 4Å; F286-F288 HydrophobicContact CZ-CD1 4.01Å; F286-F288 HydrophobicContact CZ-CE1 4.23Å; F286-F288 HydrophobicContact CZ-CG 4.32Å; F286-L293 HydrophobicContact CE2-CB 4.33Å; F286-L293 HydrophobicContact CE2-CD1 4.16Å; F286-C301 HydrophobicContact CD1-CB 3.82Å; F286-C301 HydrophobicContact CE1-CB 3.57Å; F286-C301 WeakPolarHBondContact CE1-SG 3.3Å; F286-C301 HydrophobicContact CZ-CB 4.35Å; F286-C301 VanDerWaalsContact CZ-SG 3.6Å
287	S	97.9	Very high	97.7	Very high	45 Å²	45	56.9 Å²	56.9	32%	0.315	33%	0.327	S	S	.	.			trans	-142.9	124.8	173.9	175.8	0	0	0	0	111.5	S289 Q290	S287-S289 PolarHBondContact O-N 3.18Å; S287-S289 PolarHBondContact OG-N 3.35Å; S287-S289 PolarHBondContact OG-OG 2.96Å; S287-Q290 PolarHBondContact O-N 2.93Å; S287-Q290 VanDerWaalsContact O-N 3.11Å; S287-Q290 VanDerWaalsContact O-O 3.12Å
288	F	97.6	Very high	97.7	Very high	114 Å²	114	60 Å²	60	50%	0.5	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.5	173.9	-75.3	-74.2	0	0	0	114.5	F286 K294 L299 C301	F286-F288 AromaticContact CE1-CD1 3.82Å; F286-F288 HydrophobicContact CE1-CD1 3.82Å; F286-F288 AromaticContact CE1-CD2 3.91Å; F286-F288 HydrophobicContact CE1-CD2 3.91Å; F286-F288 AromaticContact CE1-CE1 3.9Å; F286-F288 HydrophobicContact CE1-CE1 3.9Å; F286-F288 AromaticContact CE1-CE2 3.99Å; F286-F288 HydrophobicContact CE1-CE2 3.99Å; F286-F288 AromaticContact CE1-CG 3.83Å; F286-F288 HydrophobicContact CE1-CG 3.83Å; F286-F288 AromaticContact CE1-CZ 4Å; F286-F288 HydrophobicContact CE1-CZ 4Å; F286-F288 HydrophobicContact CZ-CD1 4.01Å; F286-F288 HydrophobicContact CZ-CE1 4.23Å; F286-F288 HydrophobicContact CZ-CG 4.32Å; F288-K294 WeakPolarHBondContact O-CG 3.1Å; F288-L299 HydrophobicContact CE1-CD2 4.31Å; F288-C301 HydrophobicContact CE1-CB 4.2Å; F288-C301 HydrophobicContact CE2-CB 4.13Å; F288-C301 HydrophobicContact CZ-CB 3.58Å
289	S	97.3	Very high	97.7	Very high	76 Å²	76	60.5 Å²	60.5	53%	0.531	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.9	178.9	63.4	0	0	0	0	114.1	S287 K294	S287-S289 PolarHBondContact O-N 3.18Å; S287-S289 PolarHBondContact OG-N 3.35Å; S287-S289 PolarHBondContact OG-OG 2.96Å; S289-K294 WeakPolarHBondContact O-CD 3.42Å
290	Q	95.4	Very high	97.7	Very high	137 Å²	137	60.9 Å²	60.9	64%	0.64	35%	0.348	S	S	*	.	S	Bend	trans	-137.1	171.4	-171.3	-63.3	-178.8	-2	0	0	111.5	S287	S287-Q290 PolarHBondContact O-N 2.93Å; S287-Q290 VanDerWaalsContact O-N 3.11Å; S287-Q290 VanDerWaalsContact O-O 3.12Å
291	G	96.7	Very high	97.7	Very high	55 Å²	55	61.8 Å²	61.8	57%	0.567	35%	0.354	S	S	*	.	S	Bend	trans	73.9	-179.4	175.9	0	0	0	0	0	115.7	L293	G291-L293 VanDerWaalsContact C-N 3.3Å; G291-L293 PolarHBondContact O-N 3.2Å
292	P	97.7	Very high	97.7	Very high	48 Å²	48	63.5 Å²	63.5	31%	0.312	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.4	-176.6	-22.4	34.7	0	0	0	114.2	E261 K262 A265	E261-P292 HydrophobicContact CB-CB 4.01Å; E261-P292 HydrophobicContact CB-CG 3.94Å; K262-P292 HydrophobicContact CG-CB 3.81Å; K262-P292 HydrophobicContact CG-CG 3.82Å; A265-P292 WeakPolarHBondContact CB-O 3.28Å
293	L	98.4	Very high	97.7	Very high	1 Å²	1	65 Å²	65	1%	0.005	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.7	-173.9	-66.3	172.3	0	0	0	114.4	E261 L264 A265 L278 F286 G291 D295 A296 L299	E261-L293 HydrophobicContact CB-CD1 4.34Å; E261-L293 HydrophobicContact CB-CG 4.12Å; E261-L293 HydrophobicContact CG-CD1 3.85Å; E261-L293 HydrophobicContact CG-CG 4.19Å; L264-L293 HydrophobicContact CD2-CD2 4.27Å; L264-L293 HydrophobicContact CG-CD2 4.29Å; A265-L293 HydrophobicContact CB-CD2 4.12Å; L278-L293 HydrophobicContact CD1-CD1 3.59Å; F286-L293 HydrophobicContact CE2-CB 4.33Å; F286-L293 HydrophobicContact CE2-CD1 4.16Å; G291-L293 VanDerWaalsContact C-N 3.3Å; G291-L293 PolarHBondContact O-N 3.2Å; L293-D295 VanDerWaalsContact C-N 3.3Å; L293-D295 PolarHBondContact O-N 2.94Å; L293-D295 VanDerWaalsContact O-N 3.12Å; L293-A296 HydrophobicContact CD2-CB 4.26Å; L293-A296 VanDerWaalsContact O-CB 3.23Å; L293-A296 WeakPolarHBondContact O-CB 3.38Å; L293-A296 PolarHBondContact O-N 3.5Å; L293-L299 HydrophobicContact CB-CD2 3.82Å; L293-L299 HydrophobicContact CD1-CD2 4.17Å; L293-L299 HydrophobicContact CD2-CD2 4.26Å; L293-L299 HydrophobicContact CG-CD2 4.31Å
294	K	96.7	Very high	97.8	Very high	110 Å²	110	61.7 Å²	61.7	48%	0.478	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-50.2	-175.1	-179.3	-169.5	173.7	-177.3	0	114.7	F288 S289	F288-K294 WeakPolarHBondContact O-CG 3.1Å; S289-K294 WeakPolarHBondContact O-CD 3.42Å
295	D	96.1	Very high	97.9	Very high	112 Å²	112	60.3 Å²	60.3	60%	0.599	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	25.1	-177	-47.3	-59.6	0	0	0	111.8	K269 L293	K269-D295 WeakPolarHBondContact CE-O 3.42Å; L293-D295 VanDerWaalsContact C-N 3.3Å; L293-D295 PolarHBondContact O-N 2.94Å; L293-D295 VanDerWaalsContact O-N 3.12Å
296	A	98.5	Very high	98	Very high	16 Å²	16	54.4 Å²	54.4	13%	0.132	32%	0.318	C	S	.	.			trans	-83.2	125.9	179.7	0	0	0	0	0	111.1	A265 L268 L293	A265-A296 HydrophobicContact CB-CB 4.4Å; L268-A296 HydrophobicContact CD1-CB 3.98Å; L293-A296 HydrophobicContact CD2-CB 4.26Å; L293-A296 VanDerWaalsContact O-CB 3.23Å; L293-A296 WeakPolarHBondContact O-CB 3.38Å; L293-A296 PolarHBondContact O-N 3.5Å
297	P	98.6	Very high	98	Very high	51 Å²	51	54.7 Å²	54.7	33%	0.331	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	162.4	176.9	33.2	-36.2	0	0	0	111.4	L268 L299	L268-P297 HydrophobicContact CB-CG 4.28Å; L268-P297 WeakPolarHBondContact O-CG 3.43Å; P297-L299 PolarHBondContact O-N 2.95Å; P297-L299 VanDerWaalsContact O-N 3.15Å
298	N	98.6	Very high	98.1	Very high	64 Å²	64	59.3 Å²	59.3	34%	0.342	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.8	172	-54.8	119.8	0	0	0	114.6	R131 W134 R274 G275 A276	R131-N298 PolarHBondContact NH2-ND2 3.25Å; W134-N298 HydrophobicContact CH2-CB 4.06Å; W134-N298 HydrophobicContact CZ2-CB 4.13Å; W134-N298 VanDerWaalsContact CZ2-O 3.29Å; W134-N298 WeakPolarHBondContact CZ2-O 3.48Å; R274-N298 VanDerWaalsContact O-CB 3.26Å; R274-N298 WeakPolarHBondContact O-CB 3.46Å; G275-N298 CarbonylContact C-O 3.54Å; G275-N298 WeakPolarHBondContact CA-O 3.29Å; A276-N298 PolarHBondContact N-O 2.99Å
299	L	98.9	Very high	98.1	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146	174.5	-172.8	61.9	0	0	0	111	W134 L268 A276 L278 F288 L293 P297 C301	W134-L299 PolarHBondContact NE1-O 2.82Å; L268-L299 HydrophobicContact CD1-CD1 4.47Å; A276-L299 HydrophobicContact CB-CD1 4.02Å; A276-L299 CarbonylContact O-C 3.31Å; A276-L299 WeakPolarHBondContact O-CA 3.33Å; L278-L299 HydrophobicContact CD1-CD1 3.97Å; L278-L299 HydrophobicContact CG-CD1 4.1Å; F288-L299 HydrophobicContact CE1-CD2 4.31Å; L293-L299 HydrophobicContact CB-CD2 3.82Å; L293-L299 HydrophobicContact CD1-CD2 4.17Å; L293-L299 HydrophobicContact CD2-CD2 4.26Å; L293-L299 HydrophobicContact CG-CD2 4.31Å; P297-L299 PolarHBondContact O-N 2.95Å; P297-L299 VanDerWaalsContact O-N 3.15Å; L299-C301 VanDerWaalsContact CG-SG 3.6Å
300	I	98.9	Very high	98.1	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.062	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.4	165.3	-63.4	176.7	0	0	0	106.1	N127 L128 W134 A276 A277 L278	N127-I300 HydrophobicContact CB-CD1 3.78Å; L128-I300 HydrophobicContact CD2-CD1 4.09Å; W134-I300 HydrophobicContact CZ2-CD1 4.01Å; W134-I300 HydrophobicContact CZ2-CG1 3.71Å; A276-I300 PolarHBondContact O-N 3.4Å; A277-I300 CarbonylContact C-O 3.51Å; A277-I300 VanDerWaalsContact CA-O 3.31Å; A277-I300 WeakPolarHBondContact CA-O 3.12Å; A277-I300 HydrophobicContact CB-CB 4.08Å; A277-I300 HydrophobicContact CB-CG2 4.48Å; L278-I300 PolarHBondContact N-O 3.18Å
301	C	98.9	Very high	98.3	Very high	22 Å²	22	57.4 Å²	57.4	15%	0.149	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.9	174.8	-62	0	0	0	0	110.6	L278 H281 F286 F288 L299	L278-C301 CarbonylContact O-C 3.53Å; L278-C301 VanDerWaalsContact O-CA 3.22Å; L278-C301 WeakPolarHBondContact O-CA 3.47Å; H281-C301 PolarHBondContact NE2-SG 2.9Å; F286-C301 HydrophobicContact CD1-CB 3.82Å; F286-C301 HydrophobicContact CE1-CB 3.57Å; F286-C301 WeakPolarHBondContact CE1-SG 3.3Å; F286-C301 HydrophobicContact CZ-CB 4.35Å; F286-C301 VanDerWaalsContact CZ-SG 3.6Å; F288-C301 HydrophobicContact CE1-CB 4.2Å; F288-C301 HydrophobicContact CE2-CB 4.13Å; F288-C301 HydrophobicContact CZ-CB 3.58Å; L299-C301 VanDerWaalsContact CG-SG 3.6Å
302	T	98.9	Very high	98.4	Very high	43 Å²	43	54.9 Å²	54.9	26%	0.264	29%	0.29	S	S	.	.			trans	-122.2	154	164.6	43.6	0	0	0	0	110	H124 L278 D279 H304	H124-T302 PolarHBondContact CE1-OG1 2.91Å; H124-T302 PolarHBondContact NE2-OG1 3.39Å; L278-T302 PolarHBondContact O-N 3.48Å; D279-T302 CarbonylContact C-O 3.59Å; D279-T302 WeakPolarHBondContact CA-OG1 3.39Å; D279-T302 WeakPolarHBondContact CB-OG1 3.34Å; D279-T302 WeakPolarHBondContact OD1-CB 3.45Å; D279-T302 PolarHBondContact OD1-OG1 3.5Å; T302-H304 PolarHBondContact O-N 3.2Å; T302-H304 VanDerWaalsContact O-N 3.17Å
303	P	98.6	Very high	98.4	Very high	108 Å²	108	53.6 Å²	53.6	70%	0.701	28%	0.282	S	S	*	.			trans	-91.9	67.2	-168.8	36.7	-36	0	0	0	112	A305	P303-A305 VanDerWaalsContact C-N 3.28Å; P303-A305 HydrophobicContact CG-CB 4.42Å; P303-A305 PolarHBondContact O-N 3.33Å
304	H	98.6	Very high	98.4	Very high	22 Å²	22	56.9 Å²	56.9	10%	0.102	30%	0.299	C	S	.	.	S	Bend	trans	50	47.6	-179	-157.8	154.2	0	0	0	112.4	H66 D279 V280 E284 T302 W307	H66-H304 AromaticContact CD2-CE1 3.58Å; H66-H304 AromaticContact CD2-ND1 3.43Å; H66-H304 PolarHBondContact CD2-ND1 3.46Å; H66-H304 AromaticContact CE1-CG 3.93Å; H66-H304 AromaticContact CE1-ND1 3.78Å; H66-H304 AromaticContact CG-CE1 3.6Å; H66-H304 AromaticContact CG-ND1 3.9Å; H66-H304 AromaticContact ND1-CE1 3.87Å; H66-H304 AromaticContact NE2-CE1 3.88Å; H66-H304 AromaticContact NE2-CG 3.83Å; H66-H304 AromaticContact NE2-ND1 3.39Å; H66-H304 PolarHBondContact NE2-ND1 2.96Å; D279-H304 WeakPolarHBondContact O-CA 3.16Å; D279-H304 PolarHBondContact O-N 3.28Å; D279-H304 WeakPolarHBondContact OD2-CA 3.4Å; V280-H304 HydrophobicContact CG1-CB 4.46Å; E284-H304 IonicContact OE1-ND1 2.72Å; E284-H304 IonicContact OE2-CE1 3.51Å; E284-H304 IonicContact OE2-CG 2.72Å; E284-H304 IonicContact OE2-ND1 3.47Å; E284-H304 PolarHBondContact OE2-ND1 2.78Å; T302-H304 PolarHBondContact O-N 3.2Å; T302-H304 VanDerWaalsContact O-N 3.17Å; H304-W307 AromaticContact CD2-CD1 3.95Å; H304-W307 PolarHBondContact O-NE1 3.28Å
305	A	98.7	Very high	98.5	Very high	42 Å²	42	56.4 Å²	56.4	35%	0.347	30%	0.298	S	S	.	.			trans	-112.5	-3.2	-169.3	0	0	0	0	0	113.5	D279 P303 W307 Y308	D279-A305 PolarHBondContact OD1-N 3.21Å; D279-A305 PolarHBondContact OD2-N 3.24Å; P303-A305 VanDerWaalsContact C-N 3.28Å; P303-A305 HydrophobicContact CG-CB 4.42Å; P303-A305 PolarHBondContact O-N 3.33Å; A305-W307 PolarHBondContact O-N 3.47Å; A305-Y308 PolarHBondContact O-N 2.97Å
306	A	98.7	Very high	98.7	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.025	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.2	-176.4	0	0	0	0	0	113.5	E116 T117 S120 T253 D279	E116-A306 CarbonylContact C-O 3.58Å; E116-A306 VanDerWaalsContact O-O 3.1Å; T117-A306 VanDerWaalsContact CA-O 3.3Å; T117-A306 WeakPolarHBondContact CA-O 3.29Å; T117-A306 HydrophobicContact CG2-CB 4.24Å; T117-A306 PolarHBondContact N-O 2.87Å; S120-A306 WeakPolarHBondContact OG-CA 3.38Å; S120-A306 PolarHBondContact OG-O 3.37Å; T253-A306 HydrophobicContact CG2-CB 4.29Å; D279-A306 HydrophobicContact CB-CB 4.2Å; D279-A306 PolarHBondContact OD1-N 3.09Å; D279-A306 WeakPolarHBondContact OD2-CB 3.43Å; D279-A306 PolarHBondContact OD2-N 2.73Å
307	W	98.6	Very high	98.7	Very high	52 Å²	52	51.3 Å²	51.3	20%	0.197	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.3	177.8	67.8	-89.8	0	0	0	114.7	S113 H304 A305 S309 M316	S113-W307 VanDerWaalsContact CB-O 3.31Å; S113-W307 WeakPolarHBondContact CB-O 3.39Å; H304-W307 AromaticContact CD2-CD1 3.95Å; H304-W307 PolarHBondContact O-NE1 3.28Å; A305-W307 PolarHBondContact O-N 3.47Å; W307-S309 PolarHBondContact O-N 2.95Å; W307-M316 HydrophobicContact CD2-CE 4.35Å; W307-M316 HydrophobicContact CE3-CE 3.35Å; W307-M316 HydrophobicContact CE3-SD 3.91Å; W307-M316 HydrophobicContact CZ3-CE 3.71Å; W307-M316 HydrophobicContact CZ3-SD 3.79Å
308	Y	98.8	Very high	98.7	Very high	142 Å²	142	52.2 Å²	52.2	56%	0.557	27%	0.267	S	S	*	.			trans	-87.9	113.5	-162.4	-178.3	-94.2	0	0	0	113.1	A305	A305-Y308 PolarHBondContact O-N 2.97Å
309	S	98.8	Very high	98.7	Very high	21 Å²	21	50.1 Å²	50.1	15%	0.147	26%	0.255	C	S	.	.			trans	-126.7	161.3	150.7	73.1	0	0	0	0	108.6	E116 W307 Q311 A312 S313	E116-S309 WeakPolarHBondContact OE1-CB 3.06Å; E116-S309 PolarHBondContact OE1-OG 3Å; W307-S309 PolarHBondContact O-N 2.95Å; S309-Q311 PolarHBondContact O-N 3.42Å; S309-A312 PolarHBondContact O-N 3.39Å; S309-A312 WeakPolarHBondContact OG-CB 3.39Å; S309-A312 PolarHBondContact OG-N 3Å; S309-S313 VanDerWaalsContact O-CB 3.29Å; S309-S313 WeakPolarHBondContact O-CB 3.37Å; S309-S313 PolarHBondContact O-N 3.23Å
310	E	98.1	Very high	98.7	Very high	135 Å²	135	49.4 Å²	49.4	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-58.2	-42.1	175.6	-177.6	175.9	-172.7	0	0	110.4	I314	E310-I314 HydrophobicContact CG-CD1 4.34Å; E310-I314 WeakPolarHBondContact O-CG1 3.04Å; E310-I314 PolarHBondContact O-N 3.43Å
311	Q	98.6	Very high	98.7	Very high	132 Å²	132	48.8 Å²	48.8	62%	0.617	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-50.4	177.9	-61.2	88.7	-27.1	0	0	112.3	S309 S313 I314 E315	S309-Q311 PolarHBondContact O-N 3.42Å; Q311-S313 VanDerWaalsContact C-N 3.31Å; Q311-S313 PolarHBondContact O-N 2.92Å; Q311-I314 PolarHBondContact O-N 2.87Å; Q311-E315 PolarHBondContact O-N 2.99Å
312	A	98.5	Very high	98.7	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-40.6	179.3	0	0	0	0	0	112.1	A112 E116 S309 E315 M316	A112-A312 WeakPolarHBondContact O-CA 3.1Å; A112-A312 WeakPolarHBondContact O-CB 3.09Å; E116-A312 HydrophobicContact CG-CB 4.29Å; S309-A312 PolarHBondContact O-N 3.39Å; S309-A312 WeakPolarHBondContact OG-CB 3.39Å; S309-A312 PolarHBondContact OG-N 3Å; A312-E315 PolarHBondContact O-N 2.99Å; A312-M316 HydrophobicContact CB-CE 4.34Å; A312-M316 WeakPolarHBondContact O-CE 3.47Å; A312-M316 VanDerWaalsContact O-CG 3.29Å; A312-M316 WeakPolarHBondContact O-CG 3.34Å; A312-M316 PolarHBondContact O-N 3.24Å
313	S	98.6	Very high	98.7	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-46.6	176.1	-176.3	0	0	0	0	111.7	S309 Q311 M316 R317	S309-S313 VanDerWaalsContact O-CB 3.29Å; S309-S313 WeakPolarHBondContact O-CB 3.37Å; S309-S313 PolarHBondContact O-N 3.23Å; Q311-S313 VanDerWaalsContact C-N 3.31Å; Q311-S313 PolarHBondContact O-N 2.92Å; S313-M316 WeakPolarHBondContact O-CG 3.43Å; S313-R317 WeakPolarHBondContact O-CB 3.3Å; S313-R317 WeakPolarHBondContact O-CD 3.3Å; S313-R317 WeakPolarHBondContact O-CG 3.33Å; S313-R317 PolarHBondContact O-N 3.34Å
314	I	98.6	Very high	98.7	Very high	70 Å²	70	44.5 Å²	44.5	36%	0.359	21%	0.211	S	C	.	.	H	α-helix	trans	-63.7	-51.9	175.1	-66.5	165.4	0	0	0	110.3	E310 Q311 M316 R317 E318	E310-I314 HydrophobicContact CG-CD1 4.34Å; E310-I314 WeakPolarHBondContact O-CG1 3.04Å; E310-I314 PolarHBondContact O-N 3.43Å; Q311-I314 PolarHBondContact O-N 2.87Å; I314-M316 VanDerWaalsContact C-N 3.32Å; I314-M316 PolarHBondContact O-N 2.81Å; I314-R317 PolarHBondContact O-N 3.38Å; I314-E318 HydrophobicContact CG2-CG 4.11Å; I314-E318 WeakPolarHBondContact O-CG 3.36Å; I314-E318 PolarHBondContact O-N 2.87Å
315	E	98.8	Very high	98.7	Very high	101 Å²	101	47.3 Å²	47.3	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-56.9	-43.7	-176.3	-172.9	-178	149.4	0	0	112	A112 Q311 A312 E319	A112-E315 HydrophobicContact CB-CB 4.3Å; A112-E315 HydrophobicContact CB-CG 4.17Å; Q311-E315 PolarHBondContact O-N 2.99Å; A312-E315 PolarHBondContact O-N 2.99Å; E315-E319 WeakPolarHBondContact O-CB 3.43Å; E315-E319 PolarHBondContact O-N 2.83Å
316	M	98.6	Very high	98.6	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-70.2	-37.6	-179.4	70.6	178.9	71.7	0	0	113.6	I87 V109 A112 W307 A312 S313 I314 E319 A320	I87-M316 HydrophobicContact CG2-CB 4.18Å; I87-M316 HydrophobicContact CG2-CG 3.57Å; I87-M316 HydrophobicContact CG2-SD 3.84Å; V109-M316 HydrophobicContact CB-CB 4.43Å; V109-M316 HydrophobicContact CG1-CB 4.11Å; A112-M316 HydrophobicContact CB-CB 3.66Å; W307-M316 HydrophobicContact CD2-CE 4.35Å; W307-M316 HydrophobicContact CE3-CE 3.35Å; W307-M316 HydrophobicContact CE3-SD 3.91Å; W307-M316 HydrophobicContact CZ3-CE 3.71Å; W307-M316 HydrophobicContact CZ3-SD 3.79Å; A312-M316 HydrophobicContact CB-CE 4.34Å; A312-M316 WeakPolarHBondContact O-CE 3.47Å; A312-M316 VanDerWaalsContact O-CG 3.29Å; A312-M316 WeakPolarHBondContact O-CG 3.34Å; A312-M316 PolarHBondContact O-N 3.24Å; S313-M316 WeakPolarHBondContact O-CG 3.43Å; I314-M316 VanDerWaalsContact C-N 3.32Å; I314-M316 PolarHBondContact O-N 2.81Å; M316-E319 PolarHBondContact O-N 3.3Å; M316-A320 VanDerWaalsContact O-CB 3.28Å; M316-A320 WeakPolarHBondContact O-CB 3.37Å; M316-A320 PolarHBondContact O-N 3.1Å
317	R	98.8	Very high	98.6	Very high	17 Å²	17	48.4 Å²	48.4	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-43.8	176	-73.1	174.8	66.7	-175.6	-0.2	111.2	D26 V29 E30 Y65 I87 S313 I314 A320 A321	D26-R317 PolarHBondContact O-NH2 2.89Å; D26-R317 IonicContact OD1-NH2 2.71Å; D26-R317 PolarHBondContact OD1-NH2 3.17Å; D26-R317 IonicContact OD2-CZ 2.73Å; D26-R317 IonicContact OD2-NH1 3.41Å; D26-R317 PolarHBondContact OD2-NH1 2.84Å; D26-R317 IonicContact OD2-NH2 2.82Å; D26-R317 PolarHBondContact OD2-NH2 3.41Å; D26-R317 VanDerWaalsContact OD2-NH2 3.17Å; V29-R317 HydrophobicContact CB-CB 4.07Å; V29-R317 HydrophobicContact CG1-CB 3.79Å; E30-R317 WeakPolarHBondContact OE1-CB 3.29Å; E30-R317 WeakPolarHBondContact OE1-CG 3.43Å; E30-R317 IonicContact OE1-CZ 3.17Å; E30-R317 IonicContact OE1-NE 2.69Å; E30-R317 PolarHBondContact OE1-NE 2.87Å; E30-R317 IonicContact OE1-NH2 2.77Å; E30-R317 IonicContact OE2-CZ 2.77Å; E30-R317 IonicContact OE2-NE 3.34Å; E30-R317 PolarHBondContact OE2-NE 3.42Å; E30-R317 IonicContact OE2-NH2 3.54Å; E30-R317 PolarHBondContact OE2-NH2 2.83Å; Y65-R317 WeakPolarHBondContact OH-CD 3.41Å; Y65-R317 WeakPolarHBondContact OH-CG 3.37Å; I87-R317 HydrophobicContact CG2-CG 4.06Å; S313-R317 WeakPolarHBondContact O-CB 3.3Å; S313-R317 WeakPolarHBondContact O-CD 3.3Å; S313-R317 WeakPolarHBondContact O-CG 3.33Å; S313-R317 PolarHBondContact O-N 3.34Å; I314-R317 PolarHBondContact O-N 3.38Å; R317-A320 PolarHBondContact O-N 3Å; R317-A321 WeakPolarHBondContact O-CB 3.43Å; R317-A321 PolarHBondContact O-N 3.36Å
318	E	98.8	Very high	98.5	Very high	70 Å²	70	47.2 Å²	47.2	33%	0.327	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-45.6	174.1	-68.6	-165.1	162.7	0	0	112.3	V29 I33 I314 A320 A321 R322	V29-E318 HydrophobicContact CG1-CB 4.44Å; V29-E318 HydrophobicContact CG1-CG 3.64Å; I33-E318 HydrophobicContact CD1-CB 3.93Å; I33-E318 HydrophobicContact CD1-CG 3.94Å; I314-E318 HydrophobicContact CG2-CG 4.11Å; I314-E318 WeakPolarHBondContact O-CG 3.36Å; I314-E318 PolarHBondContact O-N 2.87Å; E318-A320 VanDerWaalsContact C-N 3.34Å; E318-A320 PolarHBondContact O-N 2.75Å; E318-A321 PolarHBondContact O-N 2.93Å; E318-R322 WeakPolarHBondContact O-CB 3.5Å; E318-R322 WeakPolarHBondContact O-CG 3.29Å; E318-R322 PolarHBondContact O-N 2.79Å; E318-R322 IonicContact OE2-CZ 3.64Å; E318-R322 IonicContact OE2-NH1 2.75Å; E318-R322 PolarHBondContact OE2-NH1 3.38Å; E318-R322 IonicContact OE2-NH2 3.53Å
319	E	98.8	Very high	98.3	Very high	19 Å²	19	45 Å²	45	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-35.3	-178.4	-173.5	57.8	-164.2	0	0	112.1	V109 E315 M316 R322 E323 R326 K337	V109-E319 HydrophobicContact CG1-CB 4.01Å; V109-E319 HydrophobicContact CG1-CG 4.09Å; V109-E319 HydrophobicContact CG2-CB 4.27Å; V109-E319 HydrophobicContact CG2-CG 4.35Å; E315-E319 WeakPolarHBondContact O-CB 3.43Å; E315-E319 PolarHBondContact O-N 2.83Å; M316-E319 PolarHBondContact O-N 3.3Å; E319-R322 PolarHBondContact O-N 2.94Å; E319-R322 IonicContact OE2-CZ 3.96Å; E319-R322 IonicContact OE2-NE 3.68Å; E319-R322 PolarHBondContact OE2-NE 3.48Å; E319-R322 IonicContact OE2-NH2 2.71Å; E319-R322 PolarHBondContact OE2-NH2 2.89Å; E319-E323 PolarHBondContact O-N 3.34Å; E319-R326 IonicContact OE1-CZ 2.88Å; E319-R326 IonicContact OE1-NH1 2.76Å; E319-R326 PolarHBondContact OE1-NH1 2.9Å; E319-R326 IonicContact OE1-NH2 3.78Å; E319-R326 PolarHBondContact OE1-NH2 3.2Å; E319-K337 WeakPolarHBondContact OE1-CD 3.27Å; E319-K337 IonicContact OE1-NZ 3.58Å; E319-K337 PolarHBondContact OE1-NZ 2.89Å; E319-K337 IonicContact OE2-NZ 2.79Å
320	A	98.8	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-43	173.2	0	0	0	0	0	111.8	L63 V85 I87 V109 M316 R317 E318 R322 E323 I324	L63-A320 HydrophobicContact CD2-CB 3.59Å; V85-A320 HydrophobicContact CG1-CB 3.71Å; I87-A320 HydrophobicContact CG1-CB 3.79Å; V109-A320 HydrophobicContact CG2-CB 4.03Å; M316-A320 VanDerWaalsContact O-CB 3.28Å; M316-A320 WeakPolarHBondContact O-CB 3.37Å; M316-A320 PolarHBondContact O-N 3.1Å; R317-A320 PolarHBondContact O-N 3Å; E318-A320 VanDerWaalsContact C-N 3.34Å; E318-A320 PolarHBondContact O-N 2.75Å; A320-R322 PolarHBondContact O-N 3.49Å; A320-E323 PolarHBondContact O-N 3.25Å; A320-I324 PolarHBondContact O-N 2.71Å
321	A	98.8	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-38.8	172.7	0	0	0	0	0	112.3	E30 I33 L34 R317 E318 E323 I324 R325	E30-A321 HydrophobicContact CB-CB 4.08Å; E30-A321 HydrophobicContact CG-CB 4.09Å; I33-A321 HydrophobicContact CB-CB 4.01Å; I33-A321 HydrophobicContact CD1-CB 3.99Å; I33-A321 HydrophobicContact CG2-CB 3.8Å; L34-A321 HydrophobicContact CD1-CB 4.3Å; L34-A321 WeakPolarHBondContact CD2-O 3.28Å; L34-A321 HydrophobicContact CG-CB 4.31Å; R317-A321 WeakPolarHBondContact O-CB 3.43Å; R317-A321 PolarHBondContact O-N 3.36Å; E318-A321 PolarHBondContact O-N 2.93Å; A321-E323 VanDerWaalsContact C-N 3.33Å; A321-E323 PolarHBondContact O-N 3.18Å; A321-I324 PolarHBondContact O-N 3.43Å; A321-R325 WeakPolarHBondContact O-CB 3.21Å; A321-R325 PolarHBondContact O-N 2.97Å
322	R	98.8	Very high	97.6	Very high	79 Å²	79	40.2 Å²	40.2	30%	0.298	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-35.8	172.7	-74.1	-175.3	-70.5	-102	-1.6	112.2	I33 E318 E319 A320 R325 R326	I33-R322 HydrophobicContact CG2-CG 4.33Å; E318-R322 WeakPolarHBondContact O-CB 3.5Å; E318-R322 WeakPolarHBondContact O-CG 3.29Å; E318-R322 PolarHBondContact O-N 2.79Å; E318-R322 IonicContact OE2-CZ 3.64Å; E318-R322 IonicContact OE2-NH1 2.75Å; E318-R322 PolarHBondContact OE2-NH1 3.38Å; E318-R322 IonicContact OE2-NH2 3.53Å; E319-R322 PolarHBondContact O-N 2.94Å; E319-R322 IonicContact OE2-CZ 3.96Å; E319-R322 IonicContact OE2-NE 3.68Å; E319-R322 PolarHBondContact OE2-NE 3.48Å; E319-R322 IonicContact OE2-NH2 2.71Å; E319-R322 PolarHBondContact OE2-NH2 2.89Å; A320-R322 PolarHBondContact O-N 3.49Å; R322-R325 PolarHBondContact O-N 2.73Å; R322-R326 WeakPolarHBondContact O-CG 3.24Å; R322-R326 PolarHBondContact O-N 2.84Å
323	E	98.8	Very high	97.4	Very high	3 Å²	3	41 Å²	41	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-43.3	175.5	-167.2	76.7	125.2	0	0	112	I83 V85 C107 E319 A320 A321 R325 R326 A327 K337 N338	I83-E323 HydrophobicContact CD1-CG 4.47Å; V85-E323 HydrophobicContact CG1-CB 4.17Å; V85-E323 HydrophobicContact CG1-CG 4.39Å; V85-E323 HydrophobicContact CG2-CB 4.15Å; V85-E323 HydrophobicContact CG2-CG 3.99Å; C107-E323 HydrophobicContact CB-CG 3.77Å; E319-E323 PolarHBondContact O-N 3.34Å; A320-E323 PolarHBondContact O-N 3.25Å; A321-E323 VanDerWaalsContact C-N 3.33Å; A321-E323 PolarHBondContact O-N 3.18Å; E323-R325 VanDerWaalsContact C-N 3.3Å; E323-R325 PolarHBondContact O-N 2.58Å; E323-R326 PolarHBondContact O-N 3.49Å; E323-R326 IonicContact OE2-CZ 3.44Å; E323-R326 IonicContact OE2-NE 3.66Å; E323-R326 PolarHBondContact OE2-NE 3.4Å; E323-R326 IonicContact OE2-NH2 3.25Å; E323-R326 PolarHBondContact OE2-NH2 3.42Å; E323-A327 WeakPolarHBondContact O-CB 3.48Å; E323-A327 PolarHBondContact O-N 3.18Å; E323-K337 PolarHBondContact OE1-N 2.97Å; E323-K337 PolarHBondContact OE2-N 2.82Å; E323-N338 PolarHBondContact OE1-N 3.25Å
324	I	98.6	Very high	97.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-44.2	170.2	-67.7	-68.6	0	0	0	110.8	V19 L34 L63 I83 V85 A320 A321 R326 A327 I328	V19-I324 HydrophobicContact CG1-CG2 4.03Å; V19-I324 HydrophobicContact CG2-CG2 3.67Å; L34-I324 HydrophobicContact CD1-CB 4.38Å; L34-I324 HydrophobicContact CD1-CG2 3.96Å; L34-I324 HydrophobicContact CD2-CB 4.23Å; L34-I324 HydrophobicContact CD2-CG2 3.8Å; L63-I324 HydrophobicContact CD1-CG1 4.37Å; L63-I324 HydrophobicContact CD2-CG1 3.9Å; L63-I324 HydrophobicContact CG-CD1 4.39Å; L63-I324 HydrophobicContact CG-CG1 3.97Å; I83-I324 HydrophobicContact CG2-CD1 3.92Å; V85-I324 HydrophobicContact CB-CD1 4.25Å; V85-I324 HydrophobicContact CB-CG1 4.39Å; V85-I324 HydrophobicContact CG2-CD1 3.56Å; V85-I324 HydrophobicContact CG2-CG1 3.87Å; A320-I324 PolarHBondContact O-N 2.71Å; A321-I324 PolarHBondContact O-N 3.43Å; I324-R326 PolarHBondContact O-N 3.33Å; I324-A327 WeakPolarHBondContact O-CB 3.2Å; I324-A327 PolarHBondContact O-N 3.19Å; I324-I328 HydrophobicContact CG2-CD1 3.7Å; I324-I328 HydrophobicContact CG2-CG1 4.43Å; I324-I328 WeakPolarHBondContact O-CG1 3.2Å; I324-I328 PolarHBondContact O-N 2.99Å
325	R	98.4	Very high	97.1	Very high	81 Å²	81	43.7 Å²	43.7	31%	0.306	22%	0.215	S	C	.	.	H	α-helix	trans	-59.2	-48.5	176.8	-172.2	175.9	-175.8	101.6	9.9	111.3	I33 L34 D36 V37 A321 R322 E323 A327 I328 T329	I33-R325 PolarHBondContact O-NH1 3.21Å; L34-R325 HydrophobicContact CD2-CB 3.99Å; D36-R325 IonicContact OD1-CZ 3.18Å; D36-R325 IonicContact OD1-NH1 3.54Å; D36-R325 PolarHBondContact OD1-NH1 2.91Å; D36-R325 IonicContact OD1-NH2 2.78Å; D36-R325 IonicContact OD2-CZ 3.17Å; D36-R325 IonicContact OD2-NH1 3.23Å; D36-R325 PolarHBondContact OD2-NH1 2.79Å; D36-R325 IonicContact OD2-NH2 3.57Å; D36-R325 PolarHBondContact OD2-NH2 3.42Å; V37-R325 HydrophobicContact CG2-CG 4.27Å; A321-R325 WeakPolarHBondContact O-CB 3.21Å; A321-R325 PolarHBondContact O-N 2.97Å; R322-R325 PolarHBondContact O-N 2.73Å; E323-R325 VanDerWaalsContact C-N 3.3Å; E323-R325 PolarHBondContact O-N 2.58Å; R325-A327 VanDerWaalsContact C-N 3.27Å; R325-A327 PolarHBondContact O-N 3.32Å; R325-I328 PolarHBondContact O-N 2.94Å; R325-T329 HydrophobicContact CG-CG2 4.42Å; R325-T329 PolarHBondContact O-N 2.97Å; R325-T329 PolarHBondContact O-OG1 2.76Å
326	R	98.3	Very high	97.1	Very high	64 Å²	64	39.9 Å²	39.9	24%	0.242	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-37.4	175.7	-74.5	-177.2	-66.1	-109.5	7.4	112.4	E319 R322 E323 I324 G330	E319-R326 IonicContact OE1-CZ 2.88Å; E319-R326 IonicContact OE1-NH1 2.76Å; E319-R326 PolarHBondContact OE1-NH1 2.9Å; E319-R326 IonicContact OE1-NH2 3.78Å; E319-R326 PolarHBondContact OE1-NH2 3.2Å; R322-R326 WeakPolarHBondContact O-CG 3.24Å; R322-R326 PolarHBondContact O-N 2.84Å; E323-R326 PolarHBondContact O-N 3.49Å; E323-R326 IonicContact OE2-CZ 3.44Å; E323-R326 IonicContact OE2-NE 3.66Å; E323-R326 PolarHBondContact OE2-NE 3.4Å; E323-R326 IonicContact OE2-NH2 3.25Å; E323-R326 PolarHBondContact OE2-NH2 3.42Å; I324-R326 PolarHBondContact O-N 3.33Å; R326-G330 WeakPolarHBondContact O-CA 3.43Å; R326-G330 PolarHBondContact O-N 3.47Å
327	A	97.3	Very high	97	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-35.6	177.5	0	0	0	0	0	114	I83 E323 I324 R325 I332 L336	I83-A327 HydrophobicContact CB-CB 4.3Å; I83-A327 HydrophobicContact CD1-CB 3.4Å; I83-A327 VanDerWaalsContact CD1-CB 3.4Å; I83-A327 HydrophobicContact CG1-CB 4.43Å; I83-A327 HydrophobicContact CG2-CB 3.89Å; E323-A327 WeakPolarHBondContact O-CB 3.48Å; E323-A327 PolarHBondContact O-N 3.18Å; I324-A327 WeakPolarHBondContact O-CB 3.2Å; I324-A327 PolarHBondContact O-N 3.19Å; R325-A327 VanDerWaalsContact C-N 3.27Å; R325-A327 PolarHBondContact O-N 3.32Å; A327-I332 HydrophobicContact CB-CD1 4.12Å; A327-I332 HydrophobicContact CB-CG1 4.18Å; A327-L336 HydrophobicContact CB-CD2 3.61Å
328	I	96.1	Very high	97	Very high	28 Å²	28	46.8 Å²	46.8	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-78.1	-41.2	179.1	-70	170.9	0	0	0	111.5	L13 P17 V19 V37 A38 I324 R325	L13-I328 HydrophobicContact CD1-CG2 4.05Å; P17-I328 HydrophobicContact CG-CD1 4.06Å; P17-I328 HydrophobicContact CG-CG1 4.38Å; P17-I328 HydrophobicContact CG-CG2 4.08Å; V19-I328 HydrophobicContact CG2-CD1 3.83Å; V37-I328 HydrophobicContact CB-CG2 4.26Å; A38-I328 HydrophobicContact CB-CD1 3.92Å; I324-I328 HydrophobicContact CG2-CD1 3.7Å; I324-I328 HydrophobicContact CG2-CG1 4.43Å; I324-I328 WeakPolarHBondContact O-CG1 3.2Å; I324-I328 PolarHBondContact O-N 2.99Å; R325-I328 PolarHBondContact O-N 2.94Å
329	T	95.8	Very high	96.9	Very high	94 Å²	94	44.8 Å²	44.8	58%	0.577	22%	0.223	S	C	*	.	H	α-helix	trans	-90.2	-15.7	-175.9	62.5	0	0	0	0	114	V37 R325	V37-T329 HydrophobicContact CG1-CG2 4Å; R325-T329 HydrophobicContact CG-CG2 4.42Å; R325-T329 PolarHBondContact O-N 2.97Å; R325-T329 PolarHBondContact O-OG1 2.76Å
330	G	93.9	Very high	96.9	Very high	33 Å²	33	46 Å²	46	34%	0.34	23%	0.231	S	C	.	.	S	Bend	trans	-114.4	-161.3	-177.4	0	0	0	0	0	113.8	R326	R326-G330 WeakPolarHBondContact O-CA 3.43Å; R326-G330 PolarHBondContact O-N 3.47Å
331	R	93.1	Very high	96.8	Very high	149 Å²	149	46 Å²	46	56%	0.562	23%	0.232	S	C	*	.			trans	-106.8	126	176.3	-174.5	179.5	-179.4	174.9	-1.8	110.1	P333 D334 S335	R331-P333 CarbonylContact O-C 3.56Å; R331-D334 PolarHBondContact O-N 3.41Å; R331-S335 PolarHBondContact N-OG 3.44Å; R331-S335 WeakPolarHBondContact O-CB 3.48Å; R331-S335 PolarHBondContact O-N 2.88Å; R331-S335 PolarHBondContact O-OG 2.72Å
332	I	94.2	Very high	96.6	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.036	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	135.9	172.7	-66.1	169.8	0	0	0	109.1	I8 R82 I83 A105 A327 L336	I8-I332 HydrophobicContact CD1-CG2 4.01Å; R82-I332 HydrophobicContact CB-CD1 4Å; I83-I332 HydrophobicContact CB-CD1 4.35Å; A105-I332 HydrophobicContact CB-CG2 3.67Å; A327-I332 HydrophobicContact CB-CD1 4.12Å; A327-I332 HydrophobicContact CB-CG1 4.18Å; I332-L336 HydrophobicContact CG1-CD1 4.41Å; I332-L336 HydrophobicContact CG1-CD2 4.41Å; I332-L336 HydrophobicContact CG2-CD1 4.12Å
333	P	94.4	Very high	96.2	Very high	18 Å²	18	52.6 Å²	52.6	12%	0.117	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90	-3	-5	35	-34	0	0	0	114.8	R331 S335 L336 K342 L345	R331-P333 CarbonylContact O-C 3.56Å; P333-S335 VanDerWaalsContact C-N 3.31Å; P333-S335 PolarHBondContact O-N 3.06Å; P333-L336 HydrophobicContact CB-CD1 4.18Å; P333-L336 WeakPolarHBondContact O-CB 2.86Å; P333-L336 WeakPolarHBondContact O-CG 3.36Å; P333-L336 PolarHBondContact O-N 3.31Å; P333-L336 VanDerWaalsContact O-N 3.08Å; P333-K342 HydrophobicContact CB-CG 4.44Å; P333-K342 HydrophobicContact CG-CD 4.39Å; P333-K342 HydrophobicContact CG-CG 4.11Å; P333-L345 HydrophobicContact CB-CD1 3.75Å; P333-L345 HydrophobicContact CG-CD1 4.08Å
334	D	94.1	Very high	95.7	Very high	98 Å²	98	55.5 Å²	55.5	52%	0.524	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.4	-167	-59.6	-42.2	0	0	0	115.7	R331 K342	R331-D334 PolarHBondContact O-N 3.41Å; D334-K342 IonicContact OD1-NZ 3.39Å; D334-K342 PolarHBondContact OD1-NZ 3.16Å
335	S	96.4	Very high	95.1	Very high	49 Å²	49	56 Å²	56	34%	0.343	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.8	175.8	-55.4	0	0	0	0	113.9	R331 P333	R331-S335 PolarHBondContact N-OG 3.44Å; R331-S335 WeakPolarHBondContact O-CB 3.48Å; R331-S335 PolarHBondContact O-N 2.88Å; R331-S335 PolarHBondContact O-OG 2.72Å; P333-S335 VanDerWaalsContact C-N 3.31Å; P333-S335 PolarHBondContact O-N 3.06Å
336	L	97.5	Very high	93.9	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.105	29%	0.289	C	S	.	.			trans	-84.6	140.3	-178.1	-53.2	179.9	0	0	0	110.4	I83 A105 A327 I332 P333 C339	I83-L336 HydrophobicContact CD1-CD1 4.2Å; I83-L336 HydrophobicContact CD1-CD2 3.74Å; A105-L336 HydrophobicContact CB-CD1 3.59Å; A327-L336 HydrophobicContact CB-CD2 3.61Å; I332-L336 HydrophobicContact CG1-CD1 4.41Å; I332-L336 HydrophobicContact CG1-CD2 4.41Å; I332-L336 HydrophobicContact CG2-CD1 4.12Å; P333-L336 HydrophobicContact CB-CD1 4.18Å; P333-L336 WeakPolarHBondContact O-CB 2.86Å; P333-L336 WeakPolarHBondContact O-CG 3.36Å; P333-L336 PolarHBondContact O-N 3.31Å; P333-L336 VanDerWaalsContact O-N 3.08Å; L336-C339 HydrophobicContact CB-CB 3.95Å; L336-C339 HydrophobicContact CD1-CB 4.04Å
337	K	97.8	Very high	92.1	Very high	127 Å²	127	55 Å²	55	55%	0.552	30%	0.301	S	S	*	.	S	Bend	trans	-85.6	-40.6	-175.1	-176.1	-176.2	169.9	-172.3	0	112.4	E319 E323	E319-K337 WeakPolarHBondContact OE1-CD 3.27Å; E319-K337 IonicContact OE1-NZ 3.58Å; E319-K337 PolarHBondContact OE1-NZ 2.89Å; E319-K337 IonicContact OE2-NZ 2.79Å; E323-K337 PolarHBondContact OE1-N 2.97Å; E323-K337 PolarHBondContact OE2-N 2.82Å
338	N	97.6	Very high	90.1	Very high	40 Å²	40	56.2 Å²	56.2	21%	0.214	31%	0.311	C	S	.	.	S	Bend	trans	-130.9	46.3	-174.1	-59.9	-54.2	0	0	0	111.7	C107 N108 P110 E323 V340	C107-N338 VanDerWaalsContact CA-O 3.22Å; C107-N338 WeakPolarHBondContact CA-O 3.43Å; C107-N338 WeakPolarHBondContact CB-O 3.43Å; N108-N338 PolarHBondContact N-O 2.85Å; N108-N338 WeakPolarHBondContact O-CB 3.47Å; N108-N338 PolarHBondContact O-ND2 3.33Å; P110-N338 WeakPolarHBondContact CD-ND2 3.39Å; E323-N338 PolarHBondContact OE1-N 3.25Å; N338-V340 PolarHBondContact O-N 3.21Å
339	C	98.4	Very high	87.9	Confident	28 Å²	28	58 Å²	58	19%	0.189	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-70	118.4	174.5	-178.3	0	0	0	0	110.6	V106 L336 N341	V106-C339 CarbonylContact O-C 3.57Å; V106-C339 WeakPolarHBondContact O-CA 3.21Å; L336-C339 HydrophobicContact CB-CB 3.95Å; L336-C339 HydrophobicContact CD1-CB 4.04Å; C339-N341 PolarHBondContact SG-OD1 3.49Å; C339-N341 VanDerWaalsContact SG-OD1 3.4Å
340	V	97.6	Very high	85.1	Confident	43 Å²	43	60.8 Å²	60.8	26%	0.261	33%	0.33	S	S	.	.	S	Bend	trans	-93	-6.8	-174.6	-63.2	0	0	0	0	113.9	F91 I96 V106 N108 N338	F91-V340 HydrophobicContact CD1-CB 4.32Å; F91-V340 HydrophobicContact CD1-CG1 3.98Å; F91-V340 HydrophobicContact CD1-CG2 4.14Å; F91-V340 HydrophobicContact CD2-CG2 4.35Å; F91-V340 HydrophobicContact CE1-CB 4.17Å; F91-V340 HydrophobicContact CE1-CG1 3.84Å; F91-V340 HydrophobicContact CE1-CG2 4.45Å; F91-V340 HydrophobicContact CG-CG2 4.09Å; F91-V340 HydrophobicContact CZ-CB 4.38Å; F91-V340 HydrophobicContact CZ-CG1 4.49Å; I96-V340 HydrophobicContact CG2-CG2 4.45Å; V106-V340 HydrophobicContact CB-CG2 4Å; V106-V340 HydrophobicContact CG1-CG2 3.84Å; V106-V340 WeakPolarHBondContact O-CG2 3.21Å; V106-V340 PolarHBondContact O-N 2.85Å; N108-V340 HydrophobicContact CB-CG1 4.38Å; N338-V340 PolarHBondContact O-N 3.21Å
341	N	97.4	Very high	82.2	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.011	35%	0.347	C	S	.	.			trans	-124.7	25.7	-177.4	77.8	-27.3	0	0	0	114	I96 G100 I104 V106 C339 D343 H344 L345	I96-N341 HydrophobicContact CB-CB 4.05Å; I96-N341 WeakPolarHBondContact O-CB 3.31Å; I96-N341 PolarHBondContact O-ND2 3.38Å; G100-N341 PolarHBondContact N-ND2 2.81Å; I104-N341 PolarHBondContact O-ND2 3Å; V106-N341 PolarHBondContact N-OD1 2.89Å; C339-N341 PolarHBondContact SG-OD1 3.49Å; C339-N341 VanDerWaalsContact SG-OD1 3.4Å; N341-D343 VanDerWaalsContact C-N 3.26Å; N341-D343 PolarHBondContact O-N 3.18Å; N341-H344 PolarHBondContact O-N 3.49Å; N341-H344 VanDerWaalsContact O-N 3.12Å; N341-L345 PolarHBondContact O-N 2.72Å
342	K	93.9	Very high	79.6	Confident	85 Å²	85	63.7 Å²	63.7	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-54.5	-40	-174.5	-172.3	165.7	-176.4	160.1	0	113	P333 D334 H344 L345 T346	P333-K342 HydrophobicContact CB-CG 4.44Å; P333-K342 HydrophobicContact CG-CD 4.39Å; P333-K342 HydrophobicContact CG-CG 4.11Å; D334-K342 IonicContact OD1-NZ 3.39Å; D334-K342 PolarHBondContact OD1-NZ 3.16Å; K342-H344 VanDerWaalsContact C-N 3.32Å; K342-H344 PolarHBondContact O-N 3.21Å; K342-L345 PolarHBondContact O-N 3.29Å; K342-T346 PolarHBondContact O-N 2.81Å; K342-T346 PolarHBondContact O-OG1 2.78Å; K342-T346 VanDerWaalsContact O-OG1 3.11Å
343	D	90.3	Very high	76.8	Confident	132 Å²	132	67.9 Å²	67.9	71%	0.706	37%	0.372	S	S	*	.	H	α-helix	trans	-65	-35.4	-177.5	-57.4	-22.6	0	0	0	112.4	N341 T346 A347	N341-D343 VanDerWaalsContact C-N 3.26Å; N341-D343 PolarHBondContact O-N 3.18Å; D343-T346 WeakPolarHBondContact CA-OG1 3Å; D343-T346 PolarHBondContact O-OG1 3.25Å; D343-A347 PolarHBondContact O-N 3.04Å
344	H	89.6	Confident	73.9	Confident	63 Å²	63	74.1 Å²	74.1	29%	0.292	40%	0.401	S	S	.	.	H	α-helix	trans	-70.7	-38.4	176.4	-59.1	-60.9	0	0	0	112.1	N341 K342 T346 A347 A348	N341-H344 PolarHBondContact O-N 3.49Å; N341-H344 VanDerWaalsContact O-N 3.12Å; K342-H344 VanDerWaalsContact C-N 3.32Å; K342-H344 PolarHBondContact O-N 3.21Å; H344-T346 VanDerWaalsContact C-N 3.34Å; H344-T346 PolarHBondContact O-N 2.94Å; H344-A347 PolarHBondContact O-N 3.21Å; H344-A348 PolarHBondContact O-N 2.86Å
345	L	86.1	Confident	71	Confident	11 Å²	11	74.5 Å²	74.5	6%	0.058	40%	0.404	C	S	.	.	H	α-helix	trans	-63.7	-37.4	176.9	-64.6	169.1	0	0	0	112.7	A105 P333 N341 K342 T349	A105-L345 HydrophobicContact CB-CD1 3.74Å; P333-L345 HydrophobicContact CB-CD1 3.75Å; P333-L345 HydrophobicContact CG-CD1 4.08Å; N341-L345 PolarHBondContact O-N 2.72Å; K342-L345 PolarHBondContact O-N 3.29Å; L345-T349 PolarHBondContact O-N 2.91Å; L345-T349 PolarHBondContact O-OG1 2.77Å
346	T	71.4	Confident	68.4	Low	64 Å²	64	78 Å²	78	39%	0.393	43%	0.425	S	S	.	.	H	α-helix	trans	-73.7	-34	176.9	37.1	0	0	0	0	113	K342 D343 H344 T349 H350	K342-T346 PolarHBondContact O-N 2.81Å; K342-T346 PolarHBondContact O-OG1 2.78Å; K342-T346 VanDerWaalsContact O-OG1 3.11Å; D343-T346 WeakPolarHBondContact CA-OG1 3Å; D343-T346 PolarHBondContact O-OG1 3.25Å; H344-T346 VanDerWaalsContact C-N 3.34Å; H344-T346 PolarHBondContact O-N 2.94Å; T346-T349 WeakPolarHBondContact CA-OG1 3.45Å; T346-T349 PolarHBondContact O-N 3.25Å; T346-T349 PolarHBondContact O-OG1 2.71Å; T346-T349 VanDerWaalsContact O-OG1 3.13Å; T346-H350 PolarHBondContact O-CD2 3.37Å; T346-H350 PolarHBondContact O-N 3.01Å
347	A	61	Low	65.6	Low	60 Å²	60	80.8 Å²	80.8	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-63.2	-44.2	175.1	0	0	0	0	0	111.8	D343 H344 T349 H350 W351	D343-A347 PolarHBondContact O-N 3.04Å; H344-A347 PolarHBondContact O-N 3.21Å; A347-T349 VanDerWaalsContact C-N 3.3Å; A347-T349 PolarHBondContact O-N 3.14Å; A347-H350 PolarHBondContact O-N 3.17Å; A347-W351 PolarHBondContact O-N 3.36Å
348	A	56.5	Low	62.9	Low	29 Å²	29	80.5 Å²	80.5	24%	0.24	46%	0.459	C	S	.	.	H	α-helix	trans	-61.9	-34.6	177.8	0	0	0	0	0	113.2	H344 A352	H344-A348 PolarHBondContact O-N 2.86Å; A348-A352 WeakPolarHBondContact O-CB 3.41Å; A348-A352 PolarHBondContact O-N 2.8Å; A348-A352 VanDerWaalsContact O-N 3.16Å
349	T	48.9	Very low	60.1	Low	67 Å²	67	84.4 Å²	84.4	41%	0.411	48%	0.484	S	S	.	.	H	α-helix	trans	-74.5	-29.8	178.5	21.1	0	0	0	0	113.3	L345 T346 A347 S353	L345-T349 PolarHBondContact O-N 2.91Å; L345-T349 PolarHBondContact O-OG1 2.77Å; T346-T349 WeakPolarHBondContact CA-OG1 3.45Å; T346-T349 PolarHBondContact O-N 3.25Å; T346-T349 PolarHBondContact O-OG1 2.71Å; T346-T349 VanDerWaalsContact O-OG1 3.13Å; A347-T349 VanDerWaalsContact C-N 3.3Å; A347-T349 PolarHBondContact O-N 3.14Å; T349-S353 WeakPolarHBondContact O-CB 3.26Å; T349-S353 PolarHBondContact O-N 3.39Å; T349-S353 PolarHBondContact O-OG 2.84Å
350	H	37.4	Very low	57	Low	152 Å²	152	91.5 Å²	91.5	70%	0.704	52%	0.515	S	S	*	.	H	α-helix	trans	-67.2	-41.7	172.8	-91.1	-77.5	0	0	0	112.5	T346 A347 S353	T346-H350 PolarHBondContact O-CD2 3.37Å; T346-H350 PolarHBondContact O-N 3.01Å; A347-H350 PolarHBondContact O-N 3.17Å; H350-S353 PolarHBondContact O-N 3.23Å
351	W	32.3	Very low	54.1	Low	188 Å²	188	95.1 Å²	95.1	71%	0.712	54%	0.539	S	S	*	.	H	α-helix	trans	-64.2	-45.6	174.7	172.3	-97.4	0	0	0	112.2	A347 S353 M354	A347-W351 PolarHBondContact O-N 3.36Å; W351-S353 PolarHBondContact O-N 2.62Å; W351-S353 VanDerWaalsContact O-N 3.1Å; W351-M354 PolarHBondContact O-N 2.88Å
352	A	39.1	Very low	51.1	Low	55 Å²	55	103.7 Å²	103.7	46%	0.455	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-9.3	179.1	0	0	0	0	0	114.5	A348	A348-A352 WeakPolarHBondContact O-CB 3.41Å; A348-A352 PolarHBondContact O-N 2.8Å; A348-A352 VanDerWaalsContact O-N 3.16Å
353	S	35.1	Very low	48.5	Very low	95 Å²	95	107.6 Å²	107.6	66%	0.664	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	2.8	179.5	-55.8	0	0	0	0	113.8	T349 H350 W351 D355	T349-S353 WeakPolarHBondContact O-CB 3.26Å; T349-S353 PolarHBondContact O-N 3.39Å; T349-S353 PolarHBondContact O-OG 2.84Å; H350-S353 PolarHBondContact O-N 3.23Å; W351-S353 PolarHBondContact O-N 2.62Å; W351-S353 VanDerWaalsContact O-N 3.1Å; S353-D355 PolarHBondContact O-N 2.79Å
354	M	33.5	Very low	45.8	Very low	148 Å²	148	109.6 Å²	109.6	73%	0.729	61%	0.613	S	S	*	*			trans	-82.9	107.7	170.5	-66.3	-168	97.5	0	0	110.2	W351	W351-M354 PolarHBondContact O-N 2.88Å
355	D	34.2	Very low	43	Very low	107 Å²	107	110.2 Å²	110.2	57%	0.572	64%	0.637	S	S	*	*			trans	-62.6	125.5	172.4	-171.3	-16.7	0	0	0	110.3	S353 A357 V358	S353-D355 PolarHBondContact O-N 2.79Å; D355-A357 PolarHBondContact O-N 2.86Å; D355-A357 VanDerWaalsContact OD1-CB 3.32Å; D355-A357 WeakPolarHBondContact OD1-CB 3.23Å; D355-A357 PolarHBondContact OD1-N 3.32Å; D355-V358 PolarHBondContact O-N 3.2Å
356	P	40.2	Very low	40.3	Very low	123 Å²	123	114.6 Å²	114.6	80%	0.799	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-14.4	174.8	-24.7	34.7	0	0	0	114.5	V358	P356-V358 VanDerWaalsContact C-N 3.29Å; P356-V358 PolarHBondContact O-N 2.99Å
357	A	39	Very low	38.3	Very low	78 Å²	78	115.5 Å²	115.5	65%	0.645	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-9.4	178.3	0	0	0	0	0	115.3	D355	D355-A357 PolarHBondContact O-N 2.86Å; D355-A357 VanDerWaalsContact OD1-CB 3.32Å; D355-A357 WeakPolarHBondContact OD1-CB 3.23Å; D355-A357 PolarHBondContact OD1-N 3.32Å
358	V	41.4	Very low	36.8	Very low	120 Å²	120	122.9 Å²	122.9	73%	0.727	71%	0.705	S	S	*	*			trans	-109.2	54.2	-179.3	-161.5	0	0	0	0	112.4	D355 P356	D355-V358 PolarHBondContact O-N 3.2Å; P356-V358 VanDerWaalsContact C-N 3.29Å; P356-V358 PolarHBondContact O-N 2.99Å
359	V	38.4	Very low	35.4	Very low	122 Å²	122	132 Å²	132	74%	0.739	73%	0.733	S	S	*	*	S	Bend	trans	-111.8	118.1	154.9	-179.7	0	0	0	0	107.3	P361	V359-P361 WeakPolarHBondContact O-CD 3.37Å
360	H	34.1	Very low	34.6	Very low	178 Å²	178	139.3 Å²	139.3	82%	0.824	76%	0.755	S	S	*	*			trans	-48.1	121.9	-173.9	-93.7	-90.9	0	0	0	113.5	E362	H360-E362 PolarHBondContact O-N 2.91Å
361	P	36.4	Very low	34.5	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	76%	0.756	S	S	*	*			trans	-89.6	86	170.1	34.5	-30.8	0	0	0	110.2	V359	V359-P361 WeakPolarHBondContact O-CD 3.37Å
362	E	33.5	Very low	34.8	Very low	182 Å²	182	134.2 Å²	134.2	85%	0.85	76%	0.76	S	S	*	*			trans	-161.4	63.4	165.9	-121.4	169	-126.9	0	0	114.4	H360	H360-E362 PolarHBondContact O-N 2.91Å
363	L	40.3	Very low	34.4	Very low	167 Å²	167	135.3 Å²	135.3	87%	0.874	78%	0.776	S	S	*	*			trans	-140.9	78.3	162.4	-92.2	177.6	0	0	0	111.3
364	N	33.3	Very low	34.2	Very low	173 Å²	173	137.1 Å²	137.1	93%	0.925	78%	0.783	S	S	*	*			trans	-170.8	116.9	147.9	-103.6	-25.7	0	0	0	113
365	G	31	Very low	34	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	79%	0.789	S	S	*	*			trans	100.7	96.3	141.6	0	0	0	0	0	120.5
366	A	29.5	Very low	33.8	Very low	103 Å²	103	134.8 Å²	134.8	85%	0.851	79%	0.793	S	S	*	*			trans	67.9	115.6	139.1	0	0	0	0	0	121.8
367	A	30.2	Very low	33.2	Very low	83 Å²	83	135.9 Å²	135.9	69%	0.686	80%	0.797	S	S	*	*				150.7	131	96.7	0	0	0	0	0	114.6
368	Y	27.8	Very low	32.9	Very low	215 Å²	215	136.1 Å²	136.1	84%	0.843	80%	0.8	S	S	*	*			trans	61.5	152.8	170.3	-63.8	-75.3	0	0	0	116.5
369	R	28.4	Very low	33.3	Very low	221 Å²	221	135.6 Å²	135.6	83%	0.834	80%	0.798	S	S	*	*			cis	-152.8	147.9	4.1	-139.8	172.2	-138.4	-178.1	3.8	108.9
370	Y	31.1	Very low	32.9	Very low	220 Å²	220	136.5 Å²	136.5	86%	0.863	81%	0.805	S	S	*	*			trans	-68.7	155.3	170.6	-98.6	-89.6	0	0	0	112.7
371	P	35.4	Very low	32.6	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	80%	0.802	S	S	*	*				-123.9	160.3	129.1	36.4	-29.8	0	0	0	112.9
372	P	39.2	Very low	32.5	Very low	121 Å²	121	134 Å²	134	79%	0.786	81%	0.806	S	S	*	*			trans	-110.4	150.4	-167.2	39.1	-31.6	0	0	0	116.2
373	G	30.6	Very low	33.1	Very low	77 Å²	77	130.8 Å²	130.8	79%	0.794	80%	0.801	S	S	*	*			trans	75.7	164.5	160.9	0	0	0	0	0	116.4
374	V	30.7	Very low	32.6	Very low	134 Å²	134	127.2 Å²	127.2	81%	0.812	80%	0.796	S	S	*	*			cis	-150.3	139.1	3.9	168.5	0	0	0	0	110
375	V	30.3	Very low	32.5	Very low	141 Å²	141	123.6 Å²	123.6	86%	0.855	79%	0.79	S	S	*	*			trans	16.1	134.2	152.9	-175.6	0	0	0	0	120.8
376	G	28.1	Very low	32.5	Very low	64 Å²	64	126.5 Å²	126.5	66%	0.66	79%	0.792	S	S	*	*			trans	167.7	92.4	146.4	0	0	0	0	0	121.4
377	V	29.4	Very low	32.4	Very low	146 Å²	146	130.4 Å²	130.4	89%	0.885	79%	0.793	S	S	*	*			trans	61.1	125.2	134.8	-172.1	0	0	0	0	121.5
378	A	31.8	Very low	32.2	Very low	84 Å²	84	129.6 Å²	129.6	69%	0.694	79%	0.793	S	S	*	*			trans	-106.1	179.3	156.4	0	0	0	0	0	109.1
379	P	50.2	Low	32.3	Very low	108 Å²	108	127.4 Å²	127.4	70%	0.701	79%	0.794	S	S	*	*			cis	-148.8	-152.3	18.1	35.8	-8.2	0	0	0	115.2
380	T	30.3	Very low	32.4	Very low	142 Å²	142	123.6 Å²	123.6	87%	0.871	80%	0.795	S	S	*	*			trans	80.3	145.7	165.1	73.5	0	0	0	0	118.8
381	G	27.9	Very low	32.7	Very low	74 Å²	74	118.3 Å²	118.3	76%	0.763	79%	0.788	S	S	*	*			cis	-168.8	-177.5	-1.8	0	0	0	0	0	113.9
382	I	33	Very low	32.4	Very low	169 Å²	169	119 Å²	119	87%	0.867	80%	0.795	S	S	*	*			trans	-123.4	157.7	176.4	-30.9	169.7	0	0	0	105.2
383	P	46.9	Very low	32	Very low	115 Å²	115	117.9 Å²	117.9	75%	0.747	80%	0.796	S	S	*	*			cis	-157.5	-168.3	39.7	45.8	-22.1	0	0	0	120.1
384	A	29.4	Very low	32	Very low	93 Å²	93	123.5 Å²	123.5	77%	0.769	80%	0.804	S	S	*	*			trans	69.8	137.1	157.2	0	0	0	0	0	119
385	A	31.5	Very low	31.9	Very low	96 Å²	96	122.7 Å²	122.7	79%	0.793	80%	0.804	S	S	*	*			cis	95.5	107.2	24.4	0	0	0	0	0	116.1
386	V	30	Very low	32	Very low	137 Å²	137	123.3 Å²	123.3	83%	0.83	80%	0.802	S	S	*	*			trans	-162.8	122.2	159.1	-176.2	0	0	0	0	104.6
387	E	28.2	Very low	32	Very low	186 Å²	186	125.7 Å²	125.7	87%	0.869	81%	0.808	S	S	*	*				87.8	119.3	50.9	-157.5	179.5	-128.8	0	0	115.2
388	G	26.8	Very low	32.3	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	81%	0.805	S	S	*	*			trans	81.1	122.1	149.7	0	0	0	0	0	121.2
389	I	29.1	Very low	32.2	Very low	169 Å²	169	126.8 Å²	126.8	87%	0.867	81%	0.81	S	S	*	*				164	129.9	115.2	-81.7	159.1	0	0	0	111.3
390	V	29.8	Very low	31.4	Very low	140 Å²	140	129.9 Å²	129.9	85%	0.848	82%	0.819	S	S	*	*			trans	-139.6	129.1	168.4	172.9	0	0	0	0	103.5
391	P	38.3	Very low	31.8	Very low	110 Å²	110	128.6 Å²	128.6	71%	0.714	81%	0.813	S	S	*	*				-156.3	164.5	79	40.6	-20.5	0	0	0	118.1
392	S	28.9	Very low	32.5	Very low	127 Å²	127	130.8 Å²	130.8	89%	0.888	81%	0.814	S	S	*	*			trans	-161.6	137.8	135.1	-86.2	0	0	0	0	111
393	A	29.8	Very low	32.5	Very low	98 Å²	98	128.6 Å²	128.6	81%	0.81	81%	0.808	S	S	*	*			trans	-91.2	151.1	178.7	0	0	0	0	0	111.3
394	M	31.4	Very low	31.9	Very low	195 Å²	195	127.9 Å²	127.9	96%	0.961	81%	0.812	S	S	*	*			trans	-131.8	133.2	153.6	-77.9	-153.9	161.2	0	0	110.3
395	S	28.8	Very low	32.3	Very low	116 Å²	116	131.8 Å²	131.8	81%	0.811	81%	0.814	S	S	*	*			trans	-95.5	133.5	179.2	-170.3	0	0	0	0	109.1
396	L	31.9	Very low	32.8	Very low	155 Å²	155	132.8 Å²	132.8	81%	0.812	81%	0.813	S	S	*	*			trans	-125.2	101.2	172.1	-77.1	173.7	0	0	0	109.7
397	S	29.4	Very low	33.4	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	81%	0.811	S	S	*	*			trans	-83.2	118.5	170.1	53.4	0	0	0	0	110.3
398	H	34.1	Very low	33.8	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.815	81%	0.813	S	S	*	*			trans	-105.8	121.4	164.9	-82.2	-71.2	0	0	0	110.3
399	G	29.4	Very low	34.1	Very low	77 Å²	77	133.9 Å²	133.9	79%	0.794	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.9	149	176.7	0	0	0	0	0	112.8
400	L	33.3	Very low	34.6	Very low	172 Å²	172	131.7 Å²	131.7	90%	0.901	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-90.4	139.4	174.8	-69.8	162.3	0	0	0	111.3
401	P	39.8	Very low	34.7	Very low	115 Å²	115	130.8 Å²	130.8	75%	0.747	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-92	155.2	158.3	34.8	-29.8	0	0	0	111.7
402	P	41.8	Very low	34.7	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-94.5	140.3	-169.3	35.1	-35	0	0	0	116.4
403	V	34.8	Very low	34.9	Very low	123 Å²	123	129.1 Å²	129.1	75%	0.745	81%	0.812	S	S	*	*			trans	34.2	128.5	140.7	-168.2	0	0	0	0	121.1
404	A	33.1	Very low	34.9	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	82%	0.816	S	S	*	*			trans	-145.7	130.8	141.9	0	0	0	0	0	111.1
405	H	37.4	Very low	35	Very low	175 Å²	175	130.3 Å²	130.3	81%	0.81	81%	0.808	S	S	*	*			trans	-105.1	138.4	173.8	-79.4	-79.9	0	0	0	111.2
406	P	42.1	Very low	35.1	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.2	160.8	157.6	-0.8	20.8	0	0	0	111.8
407	P	42.6	Very low	35.3	Very low	124 Å²	124	133.4 Å²	133.4	81%	0.805	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-91.1	164.1	-160.5	35.4	-36.5	0	0	0	115.7
408	H	36.5	Very low	35.7	Very low	196 Å²	196	132.8 Å²	132.8	91%	0.907	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-56.1	136.8	174.3	-70.9	-91	0	0	0	113.7
409	A	34.4	Very low	35.5	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.1	139.2	158.9	0	0	0	0	0	110
410	P	40.1	Very low	35.8	Very low	123 Å²	123	133.5 Å²	133.5	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.6	146.8	-175.7	33.1	-34.8	0	0	0	113.5
411	S	31.9	Very low	35.7	Very low	120 Å²	120	131.7 Å²	131.7	84%	0.839	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-74.5	134.6	172.8	-50.5	0	0	0	0	112.1
412	P	37.8	Very low	35.4	Very low	134 Å²	134	136 Å²	136	87%	0.87	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-94.2	117.6	170.5	32.9	-28.1	0	0	0	111.2
413	G	31.7	Very low	35	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	79%	0.79	S	S	*	*			trans	-168.5	86	172.9	0	0	0	0	0	113.2
414	Q	30.5	Very low	35	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	79%	0.794	S	S	*	*			trans	-171.2	130	134.7	-106.1	170	6.1	0	0	113.3
415	T	32.8	Very low	35.1	Very low	130 Å²	130	138.2 Å²	138.2	80%	0.798	79%	0.789	S	S	*	*			trans	-16.9	135	155.3	48.3	0	0	0	0	119
416	V	31.5	Very low	35.2	Very low	137 Å²	137	135.1 Å²	135.1	83%	0.83	79%	0.787	S	S	*	*			trans	-135.7	125.5	149.8	-176.9	0	0	0	0	110.3
417	K	35.3	Very low	35.2	Very low	200 Å²	200	135.9 Å²	135.9	87%	0.87	79%	0.785	S	S	*	*			trans	-126.7	135.4	153.6	-102.7	-171.5	173.5	-174.3	0	104.7
418	P	39.2	Very low	35.3	Very low	100 Å²	100	137.4 Å²	137.4	65%	0.649	78%	0.781	S	S	*	*				-127.7	-171.5	84.9	5.1	19.3	0	0	0	111.5
419	E	30.6	Very low	35.7	Very low	178 Å²	178	139.3 Å²	139.3	83%	0.832	80%	0.797	S	S	*	*			cis	-157.2	142.7	-19.8	-110.7	152.7	174.8	0	0	107.2
420	A	34.2	Very low	35.7	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	80%	0.798	S	S	*	*				66.2	96.1	90.2	0	0	0	0	0	117.2
421	D	31.6	Very low	35.5	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	80%	0.798	S	S	*	*				-166.1	130	128.9	-113.4	-14.5	0	0	0	107.9
422	R	33.7	Very low	35.7	Very low	206 Å²	206	143.8 Å²	143.8	78%	0.777	80%	0.796	S	S	*	*				59.4	139.4	101.2	-72.4	-173.6	171.6	156.4	-3.8	115.2
423	D	33.2	Very low	35.6	Very low	121 Å²	121	144.4 Å²	144.4	65%	0.647	79%	0.791	S	S	*	*			cis	-163.5	-177	-0.2	-110.5	-31.9	0	0	0	108.5
424	H	35.7	Very low	35.8	Very low	180 Å²	180	149.2 Å²	149.2	83%	0.833	80%	0.797	S	S	*	*			trans	76.9	146.4	172.3	-62	55.8	0	0	0	117.2
425	A	35	Very low	36.2	Very low	88 Å²	88	146.6 Å²	146.6	73%	0.727	79%	0.791	S	S	*	*			cis	-159.8	155.6	-25.3	0	0	0	0	0	108.5
426	S	38.8	Very low	36.4	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	79%	0.791	S	S	*	*			trans	-67	142.1	172.9	48.7	0	0	0	0	113.2
427	D	42.6	Very low	36.8	Very low	132 Å²	132	148.6 Å²	148.6	71%	0.706	79%	0.788	S	S	*	*				-162.3	141	124.6	-113.2	-25.7	0	0	0	113.5
428	Q	44.4	Very low	36.9	Very low	157 Å²	157	144.3 Å²	144.3	73%	0.734	78%	0.781	S	S	*	*			trans	35.1	131.9	145.3	-65.1	164.1	60.2	0	0	119.4
429	L	44.1	Very low	36.7	Very low	235 Å²	235	148.4 Å²	148.4	100%	1.23	79%	0.793	S	S	*	*			cis	-156.9	0	38	-129.1	160.2	0	0	0	111.5

Retrieved 429 of 429 residues in 285.8 ms (Link to these results)

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