A0A077ZIJ0_TRITR Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077ZIJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 748 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.3	Low	76	Confident	213 Å²	213	117.8 Å²	117.8	100%	1.049	62%	0.621	S	S	*	*				0	-45.5	0	-74.2	-172.3	-152.4	0	0	112.4	A3 K4 A5	M1-A3 PolarHBondContact O-N 3.14Å; M1-K4 PolarHBondContact O-N 3.43Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-A5 PolarHBondContact O-N 3.43Å; M1-A5 VanDerWaalsContact O-N 3.09Å
2	L	63.3	Low	77	Confident	155 Å²	155	113.5 Å²	113.5	81%	0.812	61%	0.608	S	S	*	*	H	α-helix	trans	-52.4	-48.5	-179.7	-71.8	162.6	0	0	0	114.2	K4 A5 E6	L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 3.26Å; L2-A5 WeakPolarHBondContact O-CB 3.33Å; L2-A5 PolarHBondContact O-N 3.19Å; L2-E6 PolarHBondContact O-N 3.38Å
3	A	68.6	Low	78	Confident	68 Å²	68	113.1 Å²	113.1	56%	0.562	61%	0.605	S	S	*	*	H	α-helix	trans	-59.9	-33.9	177.9	0	0	0	0	0	113.9	M1 T7	M1-A3 PolarHBondContact O-N 3.14Å; A3-T7 WeakPolarHBondContact O-CB 3.46Å; A3-T7 PolarHBondContact O-N 3.39Å; A3-T7 VanDerWaalsContact O-N 3.13Å; A3-T7 PolarHBondContact O-OG1 3.29Å
4	K	71.5	Confident	79	Confident	165 Å²	165	114.1 Å²	114.1	72%	0.717	60%	0.604	S	S	*	*	H	α-helix	trans	-70.4	-42.6	174.6	-75.1	-172	177.7	-177.8	0	111.1	M1 L2 T7 I8	M1-K4 PolarHBondContact O-N 3.43Å; M1-K4 VanDerWaalsContact O-N 3.08Å; L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 3.26Å; K4-T7 PolarHBondContact O-N 3.2Å; K4-I8 WeakPolarHBondContact O-CD1 3.48Å; K4-I8 VanDerWaalsContact O-CG1 3.25Å; K4-I8 WeakPolarHBondContact O-CG1 3.43Å; K4-I8 PolarHBondContact O-N 3.37Å; K4-I8 VanDerWaalsContact O-N 3.1Å
5	A	72.6	Confident	79.9	Confident	50 Å²	50	114.7 Å²	114.7	41%	0.413	60%	0.596	S	S	.	*	H	α-helix	trans	-62.9	-45.2	177.3	0	0	0	0	0	111.5	M1 L2 T7 I8 C9	M1-A5 PolarHBondContact O-N 3.43Å; M1-A5 VanDerWaalsContact O-N 3.09Å; L2-A5 WeakPolarHBondContact O-CB 3.33Å; L2-A5 PolarHBondContact O-N 3.19Å; A5-T7 PolarHBondContact O-N 2.97Å; A5-I8 PolarHBondContact O-N 3.27Å; A5-I8 VanDerWaalsContact O-N 3.16Å; A5-C9 PolarHBondContact O-N 3.03Å; A5-C9 PolarHBondContact O-SG 2.68Å; A5-C9 VanDerWaalsContact O-SG 3.4Å
6	E	74.3	Confident	80.6	Confident	133 Å²	133	110.8 Å²	110.8	62%	0.621	57%	0.573	S	S	*	*	H	α-helix	trans	-58.7	-46.9	176.4	-171.4	178.3	-178.5	0	0	111.7	L2 I8 C9 V10	L2-E6 PolarHBondContact O-N 3.38Å; E6-I8 VanDerWaalsContact C-N 3.28Å; E6-I8 PolarHBondContact O-N 3.3Å; E6-C9 PolarHBondContact O-N 2.69Å; E6-V10 VanDerWaalsContact O-CG2 3.31Å; E6-V10 WeakPolarHBondContact O-CG2 3.28Å; E6-V10 PolarHBondContact O-N 2.98Å
7	T	82	Confident	81.4	Confident	69 Å²	69	111.1 Å²	111.1	42%	0.423	58%	0.575	S	S	.	*	H	α-helix	trans	-59.6	-39	176.9	-54.6	0	0	0	0	112	A3 K4 A5 R11	A3-T7 WeakPolarHBondContact O-CB 3.46Å; A3-T7 PolarHBondContact O-N 3.39Å; A3-T7 VanDerWaalsContact O-N 3.13Å; A3-T7 PolarHBondContact O-OG1 3.29Å; K4-T7 PolarHBondContact O-N 3.2Å; A5-T7 PolarHBondContact O-N 2.97Å; T7-R11 WeakPolarHBondContact O-CB 3.41Å; T7-R11 WeakPolarHBondContact O-CG 3.44Å; T7-R11 PolarHBondContact O-N 3.23Å
8	I	83.7	Confident	82	Confident	108 Å²	108	109.8 Å²	109.8	55%	0.554	58%	0.577	S	S	*	*	H	α-helix	trans	-67.6	-45.6	178	-68.3	163.2	0	0	0	110.6	K4 A5 E6 R11 S12	K4-I8 WeakPolarHBondContact O-CD1 3.48Å; K4-I8 VanDerWaalsContact O-CG1 3.25Å; K4-I8 WeakPolarHBondContact O-CG1 3.43Å; K4-I8 PolarHBondContact O-N 3.37Å; K4-I8 VanDerWaalsContact O-N 3.1Å; A5-I8 PolarHBondContact O-N 3.27Å; A5-I8 VanDerWaalsContact O-N 3.16Å; E6-I8 VanDerWaalsContact C-N 3.28Å; E6-I8 PolarHBondContact O-N 3.3Å; I8-R11 PolarHBondContact O-N 2.94Å; I8-S12 VanDerWaalsContact O-CB 3.31Å; I8-S12 WeakPolarHBondContact O-CB 3.29Å; I8-S12 PolarHBondContact O-N 2.81Å; I8-S12 PolarHBondContact O-OG 3.13Å
9	C	85.1	Confident	82.6	Confident	76 Å²	76	106.9 Å²	106.9	51%	0.514	57%	0.565	S	S	.	*	H	α-helix	trans	-60.9	-47.3	177.9	-70.1	0	0	0	0	111.4	A5 E6 S12 L13	A5-C9 PolarHBondContact O-N 3.03Å; A5-C9 PolarHBondContact O-SG 2.68Å; A5-C9 VanDerWaalsContact O-SG 3.4Å; E6-C9 PolarHBondContact O-N 2.69Å; C9-S12 PolarHBondContact O-N 3.42Å; C9-L13 WeakPolarHBondContact O-CG 3.48Å; C9-L13 PolarHBondContact O-N 3.38Å
10	V	88.2	Confident	83	Confident	84 Å²	84	101.6 Å²	101.6	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-60.9	-49	179.1	172.9	0	0	0	0	111.1	E6 S12 L13 E14	E6-V10 VanDerWaalsContact O-CG2 3.31Å; E6-V10 WeakPolarHBondContact O-CG2 3.28Å; E6-V10 PolarHBondContact O-N 2.98Å; V10-S12 VanDerWaalsContact C-N 3.29Å; V10-S12 PolarHBondContact O-N 2.8Å; V10-L13 PolarHBondContact O-N 2.75Å; V10-E14 WeakPolarHBondContact O-CB 3.19Å; V10-E14 PolarHBondContact O-N 3.02Å
11	R	87.5	Confident	83.4	Confident	175 Å²	175	99.1 Å²	99.1	66%	0.66	52%	0.524	S	S	*	.	H	α-helix	trans	-62.4	-36.2	177.7	-76	-178.9	177	-176.1	0.2	112.7	T7 I8 E14 Y15	T7-R11 WeakPolarHBondContact O-CB 3.41Å; T7-R11 WeakPolarHBondContact O-CG 3.44Å; T7-R11 PolarHBondContact O-N 3.23Å; I8-R11 PolarHBondContact O-N 2.94Å; R11-E14 PolarHBondContact O-N 3.41Å; R11-Y15 WeakPolarHBondContact O-CB 3.49Å; R11-Y15 PolarHBondContact O-N 3.05Å
12	S	88.5	Confident	84.7	Confident	66 Å²	66	90.3 Å²	90.3	46%	0.462	48%	0.481	S	S	.	.	H	α-helix	trans	-68.4	-40.5	178.3	-58.1	0	0	0	0	111.5	I8 C9 V10 Y15 F16	I8-S12 VanDerWaalsContact O-CB 3.31Å; I8-S12 WeakPolarHBondContact O-CB 3.29Å; I8-S12 PolarHBondContact O-N 2.81Å; I8-S12 PolarHBondContact O-OG 3.13Å; C9-S12 PolarHBondContact O-N 3.42Å; V10-S12 VanDerWaalsContact C-N 3.29Å; V10-S12 PolarHBondContact O-N 2.8Å; S12-Y15 PolarHBondContact O-N 3.27Å; S12-F16 PolarHBondContact O-N 3.17Å
13	L	90.2	Very high	85.7	Confident	108 Å²	108	86 Å²	86	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-66.7	-41.9	173.7	-75.4	167.5	0	0	0	111.9	C9 V10 Y15 F16 L17	C9-L13 WeakPolarHBondContact O-CG 3.48Å; C9-L13 PolarHBondContact O-N 3.38Å; V10-L13 PolarHBondContact O-N 2.75Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.32Å; L13-F16 PolarHBondContact O-N 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.8Å
14	E	91.6	Very high	86.1	Confident	128 Å²	128	89.3 Å²	89.3	60%	0.598	47%	0.47	S	S	*	.	H	α-helix	trans	-61.5	-42	175.2	-171.6	-179.6	-175.6	0	0	111.2	V10 R11 L17 S18	V10-E14 WeakPolarHBondContact O-CB 3.19Å; V10-E14 PolarHBondContact O-N 3.02Å; R11-E14 PolarHBondContact O-N 3.41Å; E14-L17 PolarHBondContact O-N 3.32Å; E14-S18 WeakPolarHBondContact O-CB 3.39Å; E14-S18 PolarHBondContact O-N 3.47Å; E14-S18 PolarHBondContact O-OG 2.99Å
15	Y	91.8	Very high	86.4	Confident	122 Å²	122	86.6 Å²	86.6	48%	0.478	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-46.8	173.2	176	-96	0	0	0	111.9	R11 S12 L13 S18 T19 N21	R11-Y15 WeakPolarHBondContact O-CB 3.49Å; R11-Y15 PolarHBondContact O-N 3.05Å; S12-Y15 PolarHBondContact O-N 3.27Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.32Å; Y15-S18 WeakPolarHBondContact CA-OG 3.39Å; Y15-S18 PolarHBondContact O-N 2.93Å; Y15-S18 PolarHBondContact O-OG 3.09Å; Y15-S18 VanDerWaalsContact O-OG 3.07Å; Y15-T19 HydrophobicContact CD2-CG2 4.01Å; Y15-T19 HydrophobicContact CE2-CG2 3.75Å; Y15-T19 WeakPolarHBondContact O-CB 3.44Å; Y15-T19 PolarHBondContact O-N 2.88Å; Y15-T19 PolarHBondContact O-OG1 2.77Å; Y15-N21 HydrophobicContact CE1-CB 4.38Å
16	F	92.2	Very high	86.4	Confident	52 Å²	52	86.7 Å²	86.7	23%	0.228	47%	0.467	C	S	.	.	H	α-helix	trans	-60.6	-48.2	177.6	170.7	-110	0	0	0	111.7	S12 L13 S18 G20 L22 Y36	S12-F16 PolarHBondContact O-N 3.17Å; L13-F16 PolarHBondContact O-N 3.23Å; F16-S18 PolarHBondContact O-N 3.46Å; F16-G20 WeakPolarHBondContact O-CA 3.3Å; F16-G20 PolarHBondContact O-N 3.13Å; F16-L22 HydrophobicContact CD2-CD2 3.76Å; F16-L22 HydrophobicContact CD2-CG 4.04Å; F16-L22 HydrophobicContact CE2-CD2 3.77Å; F16-L22 HydrophobicContact CE2-CG 3.82Å; F16-Y36 HydrophobicContact CE2-CD2 4.29Å; F16-Y36 HydrophobicContact CE2-CG 4.11Å; F16-Y36 HydrophobicContact CZ-CG 4.36Å
17	L	93.9	Very high	86.2	Confident	117 Å²	117	89 Å²	89	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-68.7	-34.9	-179.2	-69.3	175.5	0	0	0	113	L13 E14	L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.8Å; E14-L17 PolarHBondContact O-N 3.32Å
18	S	92.3	Very high	86	Confident	88 Å²	88	90 Å²	90	62%	0.615	48%	0.481	S	S	*	.	H	α-helix	trans	-76.2	-33.3	-179.6	58.9	0	0	0	0	113.3	E14 Y15 F16	E14-S18 WeakPolarHBondContact O-CB 3.39Å; E14-S18 PolarHBondContact O-N 3.47Å; E14-S18 PolarHBondContact O-OG 2.99Å; Y15-S18 WeakPolarHBondContact CA-OG 3.39Å; Y15-S18 PolarHBondContact O-N 2.93Å; Y15-S18 PolarHBondContact O-OG 3.09Å; Y15-S18 VanDerWaalsContact O-OG 3.07Å; F16-S18 PolarHBondContact O-N 3.46Å
19	T	92.6	Very high	85.9	Confident	55 Å²	55	95.5 Å²	95.5	34%	0.337	50%	0.501	S	S	.	.	H	α-helix	trans	-107.1	-23.5	-175.5	66	0	0	0	0	114.1	Y15 N21	Y15-T19 HydrophobicContact CD2-CG2 4.01Å; Y15-T19 HydrophobicContact CE2-CG2 3.75Å; Y15-T19 WeakPolarHBondContact O-CB 3.44Å; Y15-T19 PolarHBondContact O-N 2.88Å; Y15-T19 PolarHBondContact O-OG1 2.77Å; T19-N21 PolarHBondContact O-N 2.71Å; T19-N21 PolarHBondContact OG1-N 3.12Å
20	G	91.9	Very high	85.9	Confident	0 Å²	0	96.5 Å²	96.5	0%	0	50%	0.501	C	S	.	.			trans	70.9	15.9	-170.6	0	0	0	0	0	114.1	F16 T34 G35 Y36	F16-G20 WeakPolarHBondContact O-CA 3.3Å; F16-G20 PolarHBondContact O-N 3.13Å; G20-T34 CarbonylContact O-C 3.55Å; G20-G35 PolarHBondContact O-N 3.15Å; G20-G35 VanDerWaalsContact O-N 3.09Å; G20-Y36 PolarHBondContact O-N 3.02Å
21	N	90.9	Very high	85.8	Confident	49 Å²	49	96.2 Å²	96.2	26%	0.262	50%	0.503	S	S	.	.			trans	-109.4	132.7	-174.7	-62	-28.9	0	0	0	111.8	Y15 T19 N33 T34	Y15-N21 HydrophobicContact CE1-CB 4.38Å; T19-N21 PolarHBondContact O-N 2.71Å; T19-N21 PolarHBondContact OG1-N 3.12Å; N21-N33 WeakPolarHBondContact CA-O 3.41Å; N21-T34 WeakPolarHBondContact OD1-CA 3.1Å; N21-T34 VanDerWaalsContact OD1-CB 3.24Å; N21-T34 WeakPolarHBondContact OD1-CB 3.34Å; N21-T34 VanDerWaalsContact OD1-CG2 3.25Å; N21-T34 WeakPolarHBondContact OD1-CG2 3.49Å
22	L	86.9	Confident	85.8	Confident	28 Å²	28	89.9 Å²	89.9	15%	0.147	48%	0.48	C	S	.	.			trans	-90.6	144.5	171.1	-73.4	166.1	0	0	0	110.8	F16 L28 N33 Y36	F16-L22 HydrophobicContact CD2-CD2 3.76Å; F16-L22 HydrophobicContact CD2-CG 4.04Å; F16-L22 HydrophobicContact CE2-CD2 3.77Å; F16-L22 HydrophobicContact CE2-CG 3.82Å; L22-L28 HydrophobicContact CD1-CD1 3.66Å; L22-L28 HydrophobicContact CD2-CD1 4.42Å; L22-N33 PolarHBondContact N-O 3.38Å; L22-Y36 HydrophobicContact CD1-CD2 3.97Å; L22-Y36 HydrophobicContact CD1-CE2 3.52Å; L22-Y36 HydrophobicContact CG-CD2 4.25Å; L22-Y36 HydrophobicContact CG-CE2 4.22Å
23	P	83.2	Confident	85.7	Confident	65 Å²	65	89.4 Å²	89.4	42%	0.422	47%	0.473	S	S	.	.			trans	-63.3	139.6	171.6	-14.3	26.1	0	0	0	110.9	S25 T26	P23-S25 PolarHBondContact O-N 2.89Å; P23-S25 VanDerWaalsContact O-N 3.07Å; P23-T26 WeakPolarHBondContact CD-OG1 3.35Å; P23-T26 VanDerWaalsContact O-CB 3.28Å; P23-T26 WeakPolarHBondContact O-CB 3.48Å; P23-T26 PolarHBondContact O-N 3.33Å; P23-T26 PolarHBondContact O-OG1 2.98Å
24	N	77.6	Confident	85.7	Confident	138 Å²	138	87.9 Å²	87.9	74%	0.738	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.2	179.1	-71.5	-17.6	0	0	0	114.4	T26 N33	N24-T26 PolarHBondContact O-N 2.92Å; N24-N33 PolarHBondContact OD1-ND2 2.92Å
25	S	77.1	Confident	85.5	Confident	107 Å²	107	84.3 Å²	84.3	75%	0.748	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.5	173.5	52	0	0	0	0	113.3	P23 Q27	P23-S25 PolarHBondContact O-N 2.89Å; P23-S25 VanDerWaalsContact O-N 3.07Å; S25-Q27 PolarHBondContact O-N 3.48Å
26	T	72.4	Confident	85.5	Confident	52 Å²	52	81.7 Å²	81.7	32%	0.319	46%	0.455	S	S	.	.			trans	-91.4	95.6	-176.3	-34.4	0	0	0	0	108.8	P23 N24 L28	P23-T26 WeakPolarHBondContact CD-OG1 3.35Å; P23-T26 VanDerWaalsContact O-CB 3.28Å; P23-T26 WeakPolarHBondContact O-CB 3.48Å; P23-T26 PolarHBondContact O-N 3.33Å; P23-T26 PolarHBondContact O-OG1 2.98Å; N24-T26 PolarHBondContact O-N 2.92Å; T26-L28 VanDerWaalsContact C-N 3.31Å; T26-L28 HydrophobicContact CG2-CG 4.24Å; T26-L28 PolarHBondContact O-N 3.28Å; T26-L28 VanDerWaalsContact O-N 3.08Å
27	Q	71	Confident	85.5	Confident	181 Å²	181	81 Å²	81	85%	0.846	46%	0.457	S	S	*	.			trans	-82.8	78.7	174.2	-68.6	-173.6	-11.3	0	0	110.1	S25	S25-Q27 PolarHBondContact O-N 3.48Å
28	L	77	Confident	85.4	Confident	92 Å²	92	81.3 Å²	81.3	48%	0.482	46%	0.457	S	S	.	.			trans	-76.3	143.3	159.8	-67	170.6	0	0	0	107.3	L22 T26 L30	L22-L28 HydrophobicContact CD1-CD1 3.66Å; L22-L28 HydrophobicContact CD2-CD1 4.42Å; T26-L28 VanDerWaalsContact C-N 3.31Å; T26-L28 HydrophobicContact CG2-CG 4.24Å; T26-L28 PolarHBondContact O-N 3.28Å; T26-L28 VanDerWaalsContact O-N 3.08Å; L28-L30 HydrophobicContact CB-CD1 4.21Å; L28-L30 HydrophobicContact CB-CG 4.24Å; L28-L30 HydrophobicContact CD1-CD1 4.48Å; L28-L30 PolarHBondContact O-N 3.43Å
29	F	82.7	Confident	85.4	Confident	222 Å²	222	82.7 Å²	82.7	97%	0.974	46%	0.462	S	S	*	.	S	Bend	trans	-68.5	38.4	177.7	-61.9	-83.8	0	0	0	112.9
30	L	85.7	Confident	85.5	Confident	98 Å²	98	82.3 Å²	82.3	51%	0.513	46%	0.464	S	S	.	.	S	Bend	trans	-114.4	147.2	-177.9	-60.5	174.9	0	0	0	109.2	L28 Q32 Y36	L28-L30 HydrophobicContact CB-CD1 4.21Å; L28-L30 HydrophobicContact CB-CG 4.24Å; L28-L30 HydrophobicContact CD1-CD1 4.48Å; L28-L30 PolarHBondContact O-N 3.43Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.97Å; L30-Y36 WeakPolarHBondContact CB-OH 3.35Å; L30-Y36 HydrophobicContact CD1-CE1 3.93Å; L30-Y36 VanDerWaalsContact CD1-OH 3.29Å; L30-Y36 WeakPolarHBondContact CD1-OH 3.41Å
31	S	85.5	Confident	85.5	Confident	78 Å²	78	85.5 Å²	85.5	55%	0.545	48%	0.479	S	S	.	.	S	Bend	trans	-83.6	5.3	-174.8	54.7	0	0	0	0	115
32	Q	87.3	Confident	85.5	Confident	41 Å²	41	86 Å²	86	19%	0.192	48%	0.477	C	S	.	.			trans	-141.8	150.3	-177.2	69.4	-176.8	0.3	0	0	111.6	L30 Y36 A59	L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.97Å; Q32-Y36 HydrophobicContact CG-CE1 4.4Å; Q32-Y36 HydrophobicContact CG-CE2 4.01Å; Q32-Y36 WeakPolarHBondContact CG-OH 3.38Å; Q32-Y36 WeakPolarHBondContact O-CE2 3.4Å; Q32-Y36 PolarHBondContact O-OH 3.35Å; Q32-A59 VanDerWaalsContact OE1-CB 3.3Å
33	N	86.6	Confident	85.8	Confident	57 Å²	57	85.3 Å²	85.3	31%	0.305	47%	0.473	S	S	.	.	S	Bend	trans	-115.3	-0.2	177.4	-68.4	-4.2	0	0	0	113.3	N21 L22 N24	N21-N33 WeakPolarHBondContact CA-O 3.41Å; L22-N33 PolarHBondContact N-O 3.38Å; N24-N33 PolarHBondContact OD1-ND2 2.92Å
34	T	89.4	Confident	86.3	Confident	75 Å²	75	82.2 Å²	82.2	46%	0.46	45%	0.453	S	S	.	.	S	Bend	trans	-134.3	161.1	-173.5	62.3	0	0	0	0	111.2	G20 N21	G20-T34 CarbonylContact O-C 3.55Å; N21-T34 WeakPolarHBondContact OD1-CA 3.1Å; N21-T34 VanDerWaalsContact OD1-CB 3.24Å; N21-T34 WeakPolarHBondContact OD1-CB 3.34Å; N21-T34 VanDerWaalsContact OD1-CG2 3.25Å; N21-T34 WeakPolarHBondContact OD1-CG2 3.49Å
35	G	87.2	Confident	87.2	Confident	53 Å²	53	78 Å²	78	55%	0.546	43%	0.428	S	S	.	.			trans	78.3	20.4	174.2	0	0	0	0	0	115.2	G20	G20-G35 PolarHBondContact O-N 3.15Å; G20-G35 VanDerWaalsContact O-N 3.09Å
36	Y	91.3	Very high	88	Confident	68 Å²	68	73.1 Å²	73.1	27%	0.267	39%	0.393	S	S	.	.			trans	-74.9	-29.3	178.6	-74.7	-80	0	0	0	113.9	F16 G20 L22 L30 Q32	F16-Y36 HydrophobicContact CE2-CD2 4.29Å; F16-Y36 HydrophobicContact CE2-CG 4.11Å; F16-Y36 HydrophobicContact CZ-CG 4.36Å; G20-Y36 PolarHBondContact O-N 3.02Å; L22-Y36 HydrophobicContact CD1-CD2 3.97Å; L22-Y36 HydrophobicContact CD1-CE2 3.52Å; L22-Y36 HydrophobicContact CG-CD2 4.25Å; L22-Y36 HydrophobicContact CG-CE2 4.22Å; L30-Y36 WeakPolarHBondContact CB-OH 3.35Å; L30-Y36 HydrophobicContact CD1-CE1 3.93Å; L30-Y36 VanDerWaalsContact CD1-OH 3.29Å; L30-Y36 WeakPolarHBondContact CD1-OH 3.41Å; Q32-Y36 HydrophobicContact CG-CE1 4.4Å; Q32-Y36 HydrophobicContact CG-CE2 4.01Å; Q32-Y36 WeakPolarHBondContact CG-OH 3.38Å; Q32-Y36 WeakPolarHBondContact O-CE2 3.4Å; Q32-Y36 PolarHBondContact O-OH 3.35Å
37	C	93.2	Very high	89.1	Confident	38 Å²	38	73.5 Å²	73.5	26%	0.257	39%	0.389	S	S	.	.			trans	-116.8	138.8	179.6	-58.6	0	0	0	0	110.1
38	I	92.3	Very high	90.3	Very high	122 Å²	122	66.7 Å²	66.7	63%	0.626	36%	0.356	S	S	*	.			trans	-127.8	153.6	176	62.7	173.4	0	0	0	110	A40 H51	I38-A40 PolarHBondContact O-N 3.34Å; I38-H51 VanDerWaalsContact CD1-ND1 3.33Å; I38-H51 WeakPolarHBondContact CD1-ND1 3.48Å
39	V	92.8	Very high	91.2	Very high	117 Å²	117	63.4 Å²	63.4	71%	0.709	34%	0.34	S	S	*	.			trans	-69.3	123.4	172.4	-179.2	0	0	0	0	109	E41	V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 HydrophobicContact CG1-CG 4.48Å; V39-E41 PolarHBondContact O-N 3Å
40	A	93.5	Very high	91.8	Very high	47 Å²	47	53 Å²	53	39%	0.388	30%	0.295	S	S	.	.			trans	-73.3	87.5	171.6	0	0	0	0	0	109.9	I38 R42 F48	I38-A40 PolarHBondContact O-N 3.34Å; A40-R42 PolarHBondContact O-N 3.29Å; A40-F48 HydrophobicContact CB-CD2 4.25Å; A40-F48 HydrophobicContact CB-CE2 4Å
41	E	91.6	Very high	92.3	Very high	67 Å²	67	50 Å²	50	31%	0.313	28%	0.278	S	S	.	.			trans	-68.4	124.9	-174.6	-63.4	-177.3	142.4	0	0	111.6	V39 L43 R47 H51	V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 HydrophobicContact CG1-CG 4.48Å; V39-E41 PolarHBondContact O-N 3Å; E41-L43 HydrophobicContact CB-CG 4.33Å; E41-L43 PolarHBondContact O-N 3.08Å; E41-R47 HydrophobicContact CB-CG 4.1Å; E41-R47 WeakPolarHBondContact O-CG 3.43Å; E41-R47 IonicContact OE2-CZ 3.26Å; E41-R47 VanDerWaalsContact OE2-CZ 3.27Å; E41-R47 IonicContact OE2-NE 3.13Å; E41-R47 PolarHBondContact OE2-NE 3.24Å; E41-R47 IonicContact OE2-NH2 2.82Å; E41-R47 PolarHBondContact OE2-NH2 3.03Å; E41-H51 PolarHBondContact N-NE2 3.44Å
42	R	91.8	Very high	92.8	Very high	61 Å²	61	52.7 Å²	52.7	23%	0.23	28%	0.28	C	S	.	.			trans	-99.8	58.6	173.1	-77.8	-177.5	170.9	-111.1	10.3	112.1	A40 F48 P305 L317	A40-R42 PolarHBondContact O-N 3.29Å; R42-F48 HydrophobicContact CG-CB 4.1Å; R42-F48 HydrophobicContact CG-CD2 3.43Å; R42-F48 VanDerWaalsContact CG-CD2 3.43Å; R42-F48 HydrophobicContact CG-CE2 4.06Å; R42-F48 HydrophobicContact CG-CG 3.88Å; R42-F48 VanDerWaalsContact NH2-CE1 3.32Å; R42-F48 VanDerWaalsContact NH2-CZ 3.25Å; R42-P305 PolarHBondContact NH1-O 3.4Å; R42-P305 WeakPolarHBondContact O-CB 3.42Å; R42-L317 HydrophobicContact CB-CD2 4.22Å; R42-L317 WeakPolarHBondContact O-CD2 3.25Å
43	L	92.6	Very high	93.3	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.063	28%	0.282	C	S	.	.	S	Bend	trans	-67.4	-48.1	170.8	-61	168	0	0	0	110.8	E41 R47 Y318	E41-L43 HydrophobicContact CB-CG 4.33Å; E41-L43 PolarHBondContact O-N 3.08Å; L43-R47 HydrophobicContact CB-CB 4.36Å; L43-R47 HydrophobicContact CB-CG 4.42Å; L43-R47 HydrophobicContact CD1-CG 3.94Å; L43-R47 HydrophobicContact CG-CG 4.36Å; L43-Y318 HydrophobicContact CD2-CD2 3.77Å; L43-Y318 HydrophobicContact CD2-CE2 3.53Å
44	N	94.9	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-150.6	172.9	172	64.6	40.6	0	0	0	107.7	L46 R47 F48 A298 T301 L343	N44-L46 PolarHBondContact O-N 2.9Å; N44-L46 PolarHBondContact OD1-N 3Å; N44-L46 VanDerWaalsContact OD1-N 3.09Å; N44-R47 PolarHBondContact O-N 3.47Å; N44-R47 PolarHBondContact OD1-N 2.91Å; N44-F48 PolarHBondContact O-N 3.16Å; N44-A298 PolarHBondContact ND2-O 2.94Å; N44-T301 PolarHBondContact ND2-N 3.15Å; N44-T301 PolarHBondContact ND2-O 3.4Å; N44-T301 PolarHBondContact ND2-OG1 2.91Å; N44-L343 HydrophobicContact CB-CD2 3.93Å
45	Y	94.8	Very high	94	Very high	51 Å²	51	51.2 Å²	51.2	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-39	-177.9	-177	-110.1	0	0	0	113.4	R47 F48 V49 Y275 Y341	Y45-R47 PolarHBondContact O-N 2.98Å; Y45-F48 WeakPolarHBondContact O-CB 3.34Å; Y45-F48 PolarHBondContact O-N 3.12Å; Y45-V49 HydrophobicContact CD1-CG2 4.19Å; Y45-V49 HydrophobicContact CD2-CG2 4.27Å; Y45-V49 HydrophobicContact CE1-CG2 3.76Å; Y45-V49 HydrophobicContact CE2-CG2 3.85Å; Y45-V49 HydrophobicContact CG-CG2 4.42Å; Y45-V49 WeakPolarHBondContact O-CG2 3.48Å; Y45-V49 PolarHBondContact O-N 3.16Å; Y45-Y275 WeakPolarHBondContact CE1-OH 3.48Å; Y45-Y341 VanDerWaalsContact CB-CB 3.42Å; Y45-Y341 AromaticContact CD1-CD2 3.7Å; Y45-Y341 HydrophobicContact CD1-CD2 3.7Å; Y45-Y341 HydrophobicContact CD1-CE2 4.48Å; Y45-Y341 HydrophobicContact CD1-CG 4.01Å; Y45-Y341 HydrophobicContact CD2-CD1 4.06Å; Y45-Y341 AromaticContact CD2-CD2 3.6Å; Y45-Y341 HydrophobicContact CD2-CD2 3.6Å; Y45-Y341 HydrophobicContact CD2-CE1 4.18Å; Y45-Y341 AromaticContact CD2-CE2 3.76Å; Y45-Y341 HydrophobicContact CD2-CE2 3.76Å; Y45-Y341 AromaticContact CD2-CG 3.76Å; Y45-Y341 HydrophobicContact CD2-CG 3.76Å; Y45-Y341 AromaticContact CE1-CD2 3.88Å; Y45-Y341 HydrophobicContact CE1-CD2 3.88Å; Y45-Y341 HydrophobicContact CE1-CE2 4.34Å; Y45-Y341 AromaticContact CE2-CD2 3.8Å; Y45-Y341 HydrophobicContact CE2-CD2 3.8Å; Y45-Y341 AromaticContact CE2-CE2 3.62Å; Y45-Y341 HydrophobicContact CE2-CE2 3.62Å; Y45-Y341 HydrophobicContact CE2-CG 4.42Å; Y45-Y341 HydrophobicContact CG-CD1 4.16Å; Y45-Y341 AromaticContact CG-CD2 3.55Å; Y45-Y341 HydrophobicContact CG-CD2 3.55Å; Y45-Y341 HydrophobicContact CG-CE2 4.21Å; Y45-Y341 AromaticContact CG-CG 3.53Å; Y45-Y341 HydrophobicContact CG-CG 3.53Å; Y45-Y341 AromaticContact CZ-CD2 3.94Å; Y45-Y341 AromaticContact CZ-CE2 3.93Å
46	L	95.1	Very high	94.3	Very high	4 Å²	4	53 Å²	53	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-36.8	180	-61.5	-169	0	0	0	113.3	N44 S50 Y275 L279 A298 L343	N44-L46 PolarHBondContact O-N 2.9Å; N44-L46 PolarHBondContact OD1-N 3Å; N44-L46 VanDerWaalsContact OD1-N 3.09Å; L46-S50 VanDerWaalsContact O-CB 3.24Å; L46-S50 WeakPolarHBondContact O-CB 3.44Å; L46-S50 PolarHBondContact O-N 3.17Å; L46-S50 PolarHBondContact O-OG 3.42Å; L46-Y275 HydrophobicContact CD2-CD1 4.28Å; L46-Y275 HydrophobicContact CD2-CE1 3.67Å; L46-L279 HydrophobicContact CD1-CD1 4Å; L46-L279 HydrophobicContact CD2-CD1 3.59Å; L46-L279 HydrophobicContact CG-CD1 4.47Å; L46-A298 HydrophobicContact CD1-CB 4Å; L46-L343 HydrophobicContact CD1-CD1 3.27Å; L46-L343 HydrophobicContact CD2-CD1 4.41Å; L46-L343 HydrophobicContact CG-CD1 3.62Å; L46-L343 HydrophobicContact CG-CD2 4.29Å
47	R	96	Very high	94.4	Very high	60 Å²	60	55.1 Å²	55.1	23%	0.226	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-48.1	171.9	178.7	66.8	169.8	167.2	-4.4	110.1	E41 L43 N44 Y45 S50 H51 K299	E41-R47 HydrophobicContact CB-CG 4.1Å; E41-R47 WeakPolarHBondContact O-CG 3.43Å; E41-R47 IonicContact OE2-CZ 3.26Å; E41-R47 VanDerWaalsContact OE2-CZ 3.27Å; E41-R47 IonicContact OE2-NE 3.13Å; E41-R47 PolarHBondContact OE2-NE 3.24Å; E41-R47 IonicContact OE2-NH2 2.82Å; E41-R47 PolarHBondContact OE2-NH2 3.03Å; L43-R47 HydrophobicContact CB-CB 4.36Å; L43-R47 HydrophobicContact CB-CG 4.42Å; L43-R47 HydrophobicContact CD1-CG 3.94Å; L43-R47 HydrophobicContact CG-CG 4.36Å; N44-R47 PolarHBondContact O-N 3.47Å; N44-R47 PolarHBondContact OD1-N 2.91Å; Y45-R47 PolarHBondContact O-N 2.98Å; R47-S50 PolarHBondContact O-N 2.95Å; R47-S50 PolarHBondContact O-OG 3.24Å; R47-H51 PolarHBondContact NE-NE2 3.33Å; R47-H51 PolarHBondContact O-CD2 3.04Å; R47-H51 PolarHBondContact O-N 3.02Å; R47-K299 HydrophobicContact CB-CB 4.42Å
48	F	95.9	Very high	94.2	Very high	38 Å²	38	53.5 Å²	53.5	17%	0.167	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-52	-178.8	-178.9	-107.5	0	0	0	111.4	A40 R42 N44 Y45 S50 H51 F52	A40-F48 HydrophobicContact CB-CD2 4.25Å; A40-F48 HydrophobicContact CB-CE2 4Å; R42-F48 HydrophobicContact CG-CB 4.1Å; R42-F48 HydrophobicContact CG-CD2 3.43Å; R42-F48 VanDerWaalsContact CG-CD2 3.43Å; R42-F48 HydrophobicContact CG-CE2 4.06Å; R42-F48 HydrophobicContact CG-CG 3.88Å; R42-F48 VanDerWaalsContact NH2-CE1 3.32Å; R42-F48 VanDerWaalsContact NH2-CZ 3.25Å; N44-F48 PolarHBondContact O-N 3.16Å; Y45-F48 WeakPolarHBondContact O-CB 3.34Å; Y45-F48 PolarHBondContact O-N 3.12Å; F48-S50 VanDerWaalsContact C-N 3.3Å; F48-S50 PolarHBondContact O-N 2.84Å; F48-H51 PolarHBondContact O-N 3.16Å; F48-F52 HydrophobicContact CD1-CE2 4.01Å; F48-F52 HydrophobicContact CD2-CE2 4.02Å; F48-F52 AromaticContact CE1-CE2 3.6Å; F48-F52 HydrophobicContact CE1-CE2 3.6Å; F48-F52 HydrophobicContact CE1-CZ 4.23Å; F48-F52 AromaticContact CE2-CE2 3.63Å; F48-F52 HydrophobicContact CE2-CE2 3.63Å; F48-F52 AromaticContact CE2-CZ 3.85Å; F48-F52 HydrophobicContact CE2-CZ 3.85Å; F48-F52 HydrophobicContact CG-CE2 4.21Å; F48-F52 AromaticContact CZ-CE2 3.39Å; F48-F52 HydrophobicContact CZ-CE2 3.39Å; F48-F52 AromaticContact CZ-CZ 3.62Å; F48-F52 HydrophobicContact CZ-CZ 3.62Å; F48-F52 WeakPolarHBondContact O-CD2 3.24Å; F48-F52 WeakPolarHBondContact O-CE2 3.48Å
49	V	94.8	Very high	94	Very high	23 Å²	23	49.5 Å²	49.5	14%	0.139	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-37.9	178.1	176.5	0	0	0	0	111.6	Y45 H51 F52 R53 Y275	Y45-V49 HydrophobicContact CD1-CG2 4.19Å; Y45-V49 HydrophobicContact CD2-CG2 4.27Å; Y45-V49 HydrophobicContact CE1-CG2 3.76Å; Y45-V49 HydrophobicContact CE2-CG2 3.85Å; Y45-V49 HydrophobicContact CG-CG2 4.42Å; Y45-V49 WeakPolarHBondContact O-CG2 3.48Å; Y45-V49 PolarHBondContact O-N 3.16Å; V49-H51 PolarHBondContact O-N 2.94Å; V49-F52 PolarHBondContact O-N 2.99Å; V49-F52 VanDerWaalsContact O-N 3.12Å; V49-R53 PolarHBondContact O-N 2.94Å; V49-Y275 HydrophobicContact CG1-CD1 4Å; V49-Y275 HydrophobicContact CG1-CD2 4.27Å; V49-Y275 HydrophobicContact CG1-CE1 4.17Å; V49-Y275 HydrophobicContact CG1-CE2 4.41Å; V49-Y275 HydrophobicContact CG1-CG 4.06Å
50	S	95.9	Very high	93.7	Very high	3 Å²	3	49 Å²	49	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-29.8	179.9	72.3	0	0	0	0	113.7	L46 R47 F48 F52 R53 G54 H96 K299	L46-S50 VanDerWaalsContact O-CB 3.24Å; L46-S50 WeakPolarHBondContact O-CB 3.44Å; L46-S50 PolarHBondContact O-N 3.17Å; L46-S50 PolarHBondContact O-OG 3.42Å; R47-S50 PolarHBondContact O-N 2.95Å; R47-S50 PolarHBondContact O-OG 3.24Å; F48-S50 VanDerWaalsContact C-N 3.3Å; F48-S50 PolarHBondContact O-N 2.84Å; S50-F52 VanDerWaalsContact C-N 3.31Å; S50-F52 PolarHBondContact O-N 3.49Å; S50-R53 PolarHBondContact O-N 2.9Å; S50-G54 PolarHBondContact O-N 3.06Å; S50-H96 PolarHBondContact O-CD2 3.06Å; S50-H96 VanDerWaalsContact O-CD2 3.27Å; S50-K299 VanDerWaalsContact OG-CD 3.24Å; S50-K299 WeakPolarHBondContact OG-CD 3.31Å
51	H	96.4	Very high	93.6	Very high	34 Å²	34	49.5 Å²	49.5	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-37.8	176.7	-74	-66.9	0	0	0	112.4	I38 E41 R47 F48 V49 R53 G54	I38-H51 VanDerWaalsContact CD1-ND1 3.33Å; I38-H51 WeakPolarHBondContact CD1-ND1 3.48Å; E41-H51 PolarHBondContact N-NE2 3.44Å; R47-H51 PolarHBondContact NE-NE2 3.33Å; R47-H51 PolarHBondContact O-CD2 3.04Å; R47-H51 PolarHBondContact O-N 3.02Å; F48-H51 PolarHBondContact O-N 3.16Å; V49-H51 PolarHBondContact O-N 2.94Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.05Å; H51-G54 PolarHBondContact O-N 3.45Å
52	F	96.2	Very high	93.3	Very high	135 Å²	135	49.2 Å²	49.2	59%	0.592	23%	0.234	S	C	*	.	H	α-helix	trans	-79.4	-13	-179.1	-58.5	-80.3	0	0	0	113.7	F48 V49 S50	F48-F52 HydrophobicContact CD1-CE2 4.01Å; F48-F52 HydrophobicContact CD2-CE2 4.02Å; F48-F52 AromaticContact CE1-CE2 3.6Å; F48-F52 HydrophobicContact CE1-CE2 3.6Å; F48-F52 HydrophobicContact CE1-CZ 4.23Å; F48-F52 AromaticContact CE2-CE2 3.63Å; F48-F52 HydrophobicContact CE2-CE2 3.63Å; F48-F52 AromaticContact CE2-CZ 3.85Å; F48-F52 HydrophobicContact CE2-CZ 3.85Å; F48-F52 HydrophobicContact CG-CE2 4.21Å; F48-F52 AromaticContact CZ-CE2 3.39Å; F48-F52 HydrophobicContact CZ-CE2 3.39Å; F48-F52 AromaticContact CZ-CZ 3.62Å; F48-F52 HydrophobicContact CZ-CZ 3.62Å; F48-F52 WeakPolarHBondContact O-CD2 3.24Å; F48-F52 WeakPolarHBondContact O-CE2 3.48Å; V49-F52 PolarHBondContact O-N 2.99Å; V49-F52 VanDerWaalsContact O-N 3.12Å; S50-F52 VanDerWaalsContact C-N 3.31Å; S50-F52 PolarHBondContact O-N 3.49Å
53	R	96.5	Very high	93.1	Very high	62 Å²	62	54.4 Å²	54.4	23%	0.234	26%	0.261	C	S	.	.	H	α-helix	trans	-105.8	-3.1	175.1	-58.7	-58.8	-64.9	177.4	-2.9	112.6	V49 S50 H51 H96 L97 T98 C101	V49-R53 PolarHBondContact O-N 2.94Å; S50-R53 PolarHBondContact O-N 2.9Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.05Å; R53-H96 CarbonylContact O-C 3.56Å; R53-H96 VanDerWaalsContact O-CA 3.22Å; R53-H96 WeakPolarHBondContact O-CA 3.39Å; R53-L97 VanDerWaalsContact NH2-CB 3.31Å; R53-L97 PolarHBondContact O-N 3.17Å; R53-T98 PolarHBondContact NH2-O 2.99Å; R53-C101 PolarHBondContact NH1-O 3.47Å; R53-C101 PolarHBondContact NH2-O 3.28Å
54	G	95.9	Very high	92.8	Very high	29 Å²	29	58 Å²	58	30%	0.299	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.9	-179.1	0	0	0	0	0	111.2	S50 H51 N95	S50-G54 PolarHBondContact O-N 3.06Å; H51-G54 PolarHBondContact O-N 3.45Å; G54-N95 WeakPolarHBondContact CA-O 3.19Å
55	I	95.5	Very high	92.4	Very high	51 Å²	51	70 Å²	70	26%	0.262	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.3	173.1	55.3	164.5	0	0	0	109	I80 N95 L97	I55-I80 HydrophobicContact CD1-CD1 3.65Å; I55-I80 HydrophobicContact CD1-CG1 3.74Å; I55-I80 HydrophobicContact CD1-CG2 4.29Å; I55-N95 HydrophobicContact CD1-CB 4.45Å; I55-N95 HydrophobicContact CG1-CB 4.17Å; I55-N95 WeakPolarHBondContact CG1-O 3.28Å; I55-N95 PolarHBondContact N-O 3.32Å; I55-N95 PolarHBondContact O-N 3Å; I55-N95 VanDerWaalsContact O-O 3.13Å; I55-L97 HydrophobicContact CD1-CD2 3.93Å; I55-L97 HydrophobicContact CG2-CD1 4.27Å; I55-L97 HydrophobicContact CG2-CD2 4.03Å; I55-L97 HydrophobicContact CG2-CG 3.91Å
56	H	94.4	Very high	92.2	Very high	92 Å²	92	69.7 Å²	69.7	43%	0.426	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.1	-178	-169.8	-101.7	0	0	0	110	G58 L93 L94	H56-G58 VanDerWaalsContact C-N 3.29Å; H56-G58 PolarHBondContact CE1-N 3.47Å; H56-G58 PolarHBondContact CE1-O 3.02Å; H56-G58 WeakPolarHBondContact ND1-CA 3.31Å; H56-G58 PolarHBondContact ND1-N 3.47Å; H56-G58 PolarHBondContact O-N 2.99Å; H56-L93 WeakPolarHBondContact CA-O 3.18Å; H56-L94 HydrophobicContact CB-CD1 4.4Å
57	R	91.9	Very high	92	Very high	112 Å²	112	72.5 Å²	72.5	42%	0.423	35%	0.349	S	S	.	.			trans	-66.6	-29.4	178.7	-74	-166.1	176.6	-150.4	7.9	113.7	F61 V69 L93	R57-F61 HydrophobicContact CB-CD2 3.88Å; R57-F61 HydrophobicContact CB-CE2 4.47Å; R57-F61 HydrophobicContact CB-CG 4.42Å; R57-F61 VanDerWaalsContact O-CD2 3.3Å; R57-F61 WeakPolarHBondContact O-CD2 3.37Å; R57-F61 VanDerWaalsContact O-CE2 3.28Å; R57-F61 WeakPolarHBondContact O-CE2 3.31Å; R57-V69 WeakPolarHBondContact CD-O 3.35Å; R57-V69 PolarHBondContact NE-O 2.83Å; R57-V69 VanDerWaalsContact NH1-CA 3.28Å; R57-V69 PolarHBondContact NH1-O 2.85Å; R57-V69 VanDerWaalsContact NH1-O 3.11Å; R57-V69 PolarHBondContact NH2-O 3Å; R57-L93 HydrophobicContact CB-CD2 4.42Å; R57-L93 PolarHBondContact N-O 2.88Å; R57-L93 VanDerWaalsContact N-O 3.16Å
58	G	90.5	Very high	91.9	Very high	3 Å²	3	73.9 Å²	73.9	3%	0.031	36%	0.36	C	S	.	.			trans	129.3	146.4	-177	0	0	0	0	0	112.1	H56 F60 F61	H56-G58 VanDerWaalsContact C-N 3.29Å; H56-G58 PolarHBondContact CE1-N 3.47Å; H56-G58 PolarHBondContact CE1-O 3.02Å; H56-G58 WeakPolarHBondContact ND1-CA 3.31Å; H56-G58 PolarHBondContact ND1-N 3.47Å; H56-G58 PolarHBondContact O-N 2.99Å; G58-F60 PolarHBondContact O-N 3.38Å; G58-F61 PolarHBondContact O-N 3.15Å; G58-F61 VanDerWaalsContact O-N 3.16Å
59	A	87	Confident	91.7	Very high	39 Å²	39	73.1 Å²	73.1	32%	0.322	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.8	179.4	0	0	0	0	0	111.7	Q32 F61 T62	Q32-A59 VanDerWaalsContact OE1-CB 3.3Å; A59-F61 PolarHBondContact O-N 3.28Å; A59-T62 WeakPolarHBondContact O-CB 3.29Å; A59-T62 PolarHBondContact O-N 3.43Å; A59-T62 PolarHBondContact O-OG1 3.2Å
60	F	87.4	Confident	91.7	Very high	107 Å²	107	75.3 Å²	75.3	47%	0.469	36%	0.364	S	S	.	.	H	α-helix	trans	-49.1	-41.9	173.3	-179.7	-98.7	0	0	0	113	G58 T62	G58-F60 PolarHBondContact O-N 3.38Å; F60-T62 VanDerWaalsContact C-N 3.27Å; F60-T62 PolarHBondContact O-N 2.96Å
61	F	89.7	Confident	91.7	Very high	57 Å²	57	80.3 Å²	80.3	25%	0.25	39%	0.386	C	S	.	.	H	α-helix	trans	-77.9	-11	-179.4	-60	-74.8	0	0	0	113.8	R57 G58 A59 M64 V69 L93	R57-F61 HydrophobicContact CB-CD2 3.88Å; R57-F61 HydrophobicContact CB-CE2 4.47Å; R57-F61 HydrophobicContact CB-CG 4.42Å; R57-F61 VanDerWaalsContact O-CD2 3.3Å; R57-F61 WeakPolarHBondContact O-CD2 3.37Å; R57-F61 VanDerWaalsContact O-CE2 3.28Å; R57-F61 WeakPolarHBondContact O-CE2 3.31Å; G58-F61 PolarHBondContact O-N 3.15Å; G58-F61 VanDerWaalsContact O-N 3.16Å; A59-F61 PolarHBondContact O-N 3.28Å; F61-M64 HydrophobicContact CD1-SD 4.34Å; F61-V69 HydrophobicContact CB-CG2 4.42Å; F61-V69 HydrophobicContact CD1-CG1 4.05Å; F61-V69 HydrophobicContact CE1-CG1 4.48Å; F61-L93 HydrophobicContact CB-CD2 4Å
62	T	87.2	Confident	91.6	Very high	61 Å²	61	83.8 Å²	83.8	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-73.5	-33.5	177.5	-53.6	0	0	0	0	111.3	A59 F60 M64 L93	A59-T62 WeakPolarHBondContact O-CB 3.29Å; A59-T62 PolarHBondContact O-N 3.43Å; A59-T62 PolarHBondContact O-OG1 3.2Å; F60-T62 VanDerWaalsContact C-N 3.27Å; F60-T62 PolarHBondContact O-N 2.96Å; T62-M64 VanDerWaalsContact C-N 3.32Å; T62-L93 HydrophobicContact CG2-CD1 4.41Å
63	E	85.8	Confident	91.5	Very high	170 Å²	170	81.7 Å²	81.7	79%	0.794	40%	0.397	S	S	*	.	H	α-helix	trans	-80.5	-18	178.3	-60.8	179.8	-179.9	0	0	112.4	R65	E63-R65 PolarHBondContact O-N 3.49Å
64	M	87	Confident	91.3	Very high	86 Å²	86	84.3 Å²	84.3	42%	0.424	42%	0.42	S	S	.	.			trans	-68.4	129.5	179.7	-150.8	-177.8	-133.5	0	0	110.7	F61 T62 S66 V69	F61-M64 HydrophobicContact CD1-SD 4.34Å; T62-M64 VanDerWaalsContact C-N 3.32Å; M64-S66 VanDerWaalsContact C-N 3.35Å; M64-V69 HydrophobicContact SD-CG1 4.3Å
65	R	86.5	Confident	91.2	Very high	253 Å²	253	87.4 Å²	87.4	96%	0.955	43%	0.427	S	S	*	.			trans	-77.2	-18.2	-179.6	-65.3	-175.9	-179.2	-176.4	0.2	113.8	E63	E63-R65 PolarHBondContact O-N 3.49Å
66	S	90.5	Very high	91.2	Very high	44 Å²	44	85.7 Å²	85.7	31%	0.308	42%	0.421	S	S	.	.			trans	-70	140.6	178.9	178.4	0	0	0	0	111.4	M64 D68	M64-S66 VanDerWaalsContact C-N 3.35Å; S66-D68 PolarHBondContact OG-N 3.01Å; S66-D68 VanDerWaalsContact OG-N 3.14Å; S66-D68 PolarHBondContact OG-OD2 3.39Å; S66-D68 VanDerWaalsContact OG-OD2 3.05Å
67	S	91.4	Very high	91.3	Very high	64 Å²	64	86.1 Å²	86.1	45%	0.448	42%	0.419	S	S	.	.	S	Bend	trans	-85.6	-11	174.1	64.8	0	0	0	0	113.3	V69 R70 K71	S67-V69 PolarHBondContact O-N 3.47Å; S67-R70 WeakPolarHBondContact O-CA 3.47Å; S67-R70 WeakPolarHBondContact O-CB 3.41Å; S67-R70 PolarHBondContact O-N 3.3Å; S67-K71 PolarHBondContact O-N 2.99Å
68	D	92.6	Very high	91.6	Very high	89 Å²	89	80.8 Å²	80.8	48%	0.476	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-63.1	-34.3	-172.6	-62.2	-38.4	0	0	0	112.2	S66 R70 K71	S66-D68 PolarHBondContact OG-N 3.01Å; S66-D68 VanDerWaalsContact OG-N 3.14Å; S66-D68 PolarHBondContact OG-OD2 3.39Å; S66-D68 VanDerWaalsContact OG-OD2 3.05Å; D68-R70 PolarHBondContact O-N 3.21Å; D68-K71 PolarHBondContact O-N 2.85Å; D68-K71 IonicContact OD1-NZ 2.87Å; D68-K71 PolarHBondContact OD1-NZ 2.84Å
69	V	92.7	Very high	91.9	Very high	22 Å²	22	80.7 Å²	80.7	13%	0.133	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-71.7	-10.2	174.9	-59.8	0	0	0	0	113.7	R57 F61 M64 S67 L93	R57-V69 WeakPolarHBondContact CD-O 3.35Å; R57-V69 PolarHBondContact NE-O 2.83Å; R57-V69 VanDerWaalsContact NH1-CA 3.28Å; R57-V69 PolarHBondContact NH1-O 2.85Å; R57-V69 VanDerWaalsContact NH1-O 3.11Å; R57-V69 PolarHBondContact NH2-O 3Å; F61-V69 HydrophobicContact CB-CG2 4.42Å; F61-V69 HydrophobicContact CD1-CG1 4.05Å; F61-V69 HydrophobicContact CE1-CG1 4.48Å; M64-V69 HydrophobicContact SD-CG1 4.3Å; S67-V69 PolarHBondContact O-N 3.47Å; V69-L93 HydrophobicContact CG2-CD2 4.05Å
70	R	94.2	Very high	92.4	Very high	68 Å²	68	80.5 Å²	80.5	26%	0.257	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-104.1	-14.8	-179.4	-57.8	174	174.4	-92.3	5.3	112.4	S67 D68 A89 C91 G92 L93	S67-R70 WeakPolarHBondContact O-CA 3.47Å; S67-R70 WeakPolarHBondContact O-CB 3.41Å; S67-R70 PolarHBondContact O-N 3.3Å; D68-R70 PolarHBondContact O-N 3.21Å; R70-A89 PolarHBondContact NH1-O 2.84Å; R70-A89 PolarHBondContact NH2-O 2.87Å; R70-C91 PolarHBondContact NH1-O 2.84Å; R70-G92 WeakPolarHBondContact O-CA 3.44Å; R70-L93 HydrophobicContact CG-CD2 4Å; R70-L93 HydrophobicContact CG-CG 4.15Å
71	K	95.5	Very high	92.9	Very high	108 Å²	108	75.5 Å²	75.5	47%	0.47	37%	0.368	S	S	.	.	S	Bend	trans	-68.4	136.3	180	-72.1	174.9	-175.6	162.7	0	110.3	S67 D68	S67-K71 PolarHBondContact O-N 2.99Å; D68-K71 PolarHBondContact O-N 2.85Å; D68-K71 IonicContact OD1-NZ 2.87Å; D68-K71 PolarHBondContact OD1-NZ 2.84Å
72	L	94.6	Very high	93.2	Very high	108 Å²	108	75 Å²	75	57%	0.565	37%	0.371	S	S	*	.			trans	-68.5	129.9	165.1	177.4	68.5	0	0	0	108	A76 P82	L72-A76 HydrophobicContact CD1-CB 4.07Å; L72-P82 HydrophobicContact CD1-CB 4.16Å; L72-P82 HydrophobicContact CD2-CB 3.41Å; L72-P82 VanDerWaalsContact CD2-CB 3.41Å; L72-P82 HydrophobicContact CG-CB 4.43Å
73	Q	94.3	Very high	93.7	Very high	91 Å²	91	73.1 Å²	73.1	43%	0.425	36%	0.359	S	S	.	.			trans	-111.4	160.1	179.2	-55.1	-70.8	-15.3	0	0	110	E75 A76	Q73-E75 VanDerWaalsContact C-N 3.34Å; Q73-E75 WeakPolarHBondContact CB-OE2 3.36Å; Q73-E75 PolarHBondContact O-N 3.26Å; Q73-A76 VanDerWaalsContact O-CB 3.25Å; Q73-A76 WeakPolarHBondContact O-CB 3.15Å; Q73-A76 PolarHBondContact O-N 3.17Å
74	T	93	Very high	94.3	Very high	116 Å²	116	65.1 Å²	65.1	71%	0.712	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-69.4	-30.9	-176.5	39.1	0	0	0	0	113	A76 W77	T74-A76 PolarHBondContact O-N 3.15Å; T74-A76 VanDerWaalsContact O-N 3.17Å; T74-W77 VanDerWaalsContact O-CB 3.32Å; T74-W77 WeakPolarHBondContact O-CB 3.36Å; T74-W77 PolarHBondContact O-N 2.74Å; T74-W77 VanDerWaalsContact O-N 3.13Å
75	E	93.2	Very high	94.8	Very high	94 Å²	94	61.8 Å²	61.8	44%	0.439	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-68	-16.8	178.7	-46.8	75	-160.5	0	0	111.7	Q73 W77 Q245	Q73-E75 VanDerWaalsContact C-N 3.34Å; Q73-E75 WeakPolarHBondContact CB-OE2 3.36Å; Q73-E75 PolarHBondContact O-N 3.26Å; E75-W77 PolarHBondContact O-N 2.84Å; E75-Q245 PolarHBondContact O-NE2 2.96Å
76	A	95.4	Very high	95.2	Very high	16 Å²	16	50.5 Å²	50.5	13%	0.132	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-72.7	-13.3	176.2	0	0	0	0	0	113.3	L72 Q73 T74 G78 F79 I80	L72-A76 HydrophobicContact CD1-CB 4.07Å; Q73-A76 VanDerWaalsContact O-CB 3.25Å; Q73-A76 WeakPolarHBondContact O-CB 3.15Å; Q73-A76 PolarHBondContact O-N 3.17Å; T74-A76 PolarHBondContact O-N 3.15Å; T74-A76 VanDerWaalsContact O-N 3.17Å; A76-G78 PolarHBondContact O-N 2.72Å; A76-F79 PolarHBondContact O-N 3.22Å; A76-I80 HydrophobicContact CB-CB 4.19Å; A76-I80 PolarHBondContact O-N 3.24Å
77	W	97.4	Very high	95.2	Very high	101 Å²	101	51.7 Å²	51.7	38%	0.383	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	129.6	-178.9	179.1	-86.7	0	0	0	111.4	T74 E75 F79 Q245 V252 E266 F272	T74-W77 VanDerWaalsContact O-CB 3.32Å; T74-W77 WeakPolarHBondContact O-CB 3.36Å; T74-W77 PolarHBondContact O-N 2.74Å; T74-W77 VanDerWaalsContact O-N 3.13Å; E75-W77 PolarHBondContact O-N 2.84Å; W77-F79 WeakPolarHBondContact O-CD2 3.46Å; W77-F79 PolarHBondContact O-N 2.66Å; W77-F79 VanDerWaalsContact O-N 3.11Å; W77-Q245 PolarHBondContact O-NE2 3.38Å; W77-Q245 PolarHBondContact O-OE1 3.2Å; W77-V252 HydrophobicContact CZ2-CG2 3.93Å; W77-E266 PolarHBondContact NE1-OE1 2.79Å; W77-F272 HydrophobicContact CD2-CB 4.22Å; W77-F272 HydrophobicContact CE3-CB 4.41Å; W77-F272 HydrophobicContact CH2-CB 4.39Å; W77-F272 AromaticContact CH2-CD1 3.59Å; W77-F272 HydrophobicContact CH2-CD1 3.59Å; W77-F272 AromaticContact CH2-CE1 3.97Å; W77-F272 HydrophobicContact CH2-CE1 3.97Å; W77-F272 AromaticContact CH2-CG 3.99Å; W77-F272 HydrophobicContact CH2-CG 3.99Å; W77-F272 HydrophobicContact CZ2-CB 4.19Å; W77-F272 AromaticContact CZ2-CD1 3.78Å; W77-F272 HydrophobicContact CZ2-CD1 3.78Å; W77-F272 HydrophobicContact CZ2-CG 4.19Å; W77-F272 HydrophobicContact CZ3-CB 4.5Å; W77-F272 HydrophobicContact CZ3-CD1 4.2Å; W77-F272 HydrophobicContact CZ3-CG 4.17Å
78	G	96.8	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-12.5	-179.6	0	0	0	0	0	115.6	A76 T98 R224	A76-G78 PolarHBondContact O-N 2.72Å; G78-T98 VanDerWaalsContact C-CG2 3.4Å; G78-T98 WeakPolarHBondContact O-CB 3.36Å; G78-T98 WeakPolarHBondContact O-CG2 3.38Å; G78-T98 PolarHBondContact O-OG1 3.45Å; G78-R224 WeakPolarHBondContact O-CD 3.41Å
79	F	97.7	Very high	95.1	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-50.7	179.3	-60.9	-77.4	0	0	0	112.8	A76 W77 L97 T98 M222 R224 G241 T242 Q245	A76-F79 PolarHBondContact O-N 3.22Å; W77-F79 WeakPolarHBondContact O-CD2 3.46Å; W77-F79 PolarHBondContact O-N 2.66Å; W77-F79 VanDerWaalsContact O-N 3.11Å; F79-L97 CarbonylContact O-C 3.55Å; F79-L97 VanDerWaalsContact O-CA 3.3Å; F79-L97 WeakPolarHBondContact O-CA 3.19Å; F79-T98 PolarHBondContact O-N 3.46Å; F79-M222 HydrophobicContact CD1-CB 3.95Å; F79-M222 HydrophobicContact CE1-CB 4.48Å; F79-M222 WeakPolarHBondContact CE1-O 3.44Å; F79-R224 HydrophobicContact CD1-CB 4.26Å; F79-R224 HydrophobicContact CD1-CG 4.34Å; F79-R224 HydrophobicContact CE1-CB 3.92Å; F79-R224 HydrophobicContact CE1-CG 3.7Å; F79-R224 HydrophobicContact CE2-CG 4.49Å; F79-R224 HydrophobicContact CZ-CB 4.5Å; F79-R224 HydrophobicContact CZ-CG 3.78Å; F79-G241 VanDerWaalsContact CZ-C 3.41Å; F79-G241 WeakPolarHBondContact CZ-O 3.25Å; F79-T242 HydrophobicContact CB-CG2 4.37Å; F79-T242 HydrophobicContact CD1-CG2 3.83Å; F79-T242 HydrophobicContact CD2-CG2 3.59Å; F79-T242 HydrophobicContact CE1-CG2 3.92Å; F79-T242 HydrophobicContact CE2-CG2 3.69Å; F79-T242 HydrophobicContact CG-CG2 3.66Å; F79-T242 HydrophobicContact CZ-CG2 3.87Å; F79-Q245 HydrophobicContact CE2-CB 4.1Å; F79-Q245 HydrophobicContact CE2-CG 4.46Å; F79-Q245 VanDerWaalsContact CE2-OE1 3.31Å; F79-Q245 HydrophobicContact CZ-CB 4.5Å
80	I	97.4	Very high	95.1	Very high	34 Å²	34	51.7 Å²	51.7	17%	0.174	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-115.3	129.3	179.6	-52.2	177.4	0	0	0	108.4	I55 A76 N95	I55-I80 HydrophobicContact CD1-CD1 3.65Å; I55-I80 HydrophobicContact CD1-CG1 3.74Å; I55-I80 HydrophobicContact CD1-CG2 4.29Å; A76-I80 HydrophobicContact CB-CB 4.19Å; A76-I80 PolarHBondContact O-N 3.24Å; I80-N95 HydrophobicContact CG2-CB 3.42Å; I80-N95 VanDerWaalsContact CG2-CB 3.42Å
81	C	97.7	Very high	95.1	Very high	2 Å²	2	51 Å²	51	1%	0.014	29%	0.294	C	S	.	.			trans	-68.3	128.6	-179.3	179.1	0	0	0	0	111.2	V83 H84 H96 S274	C81-V83 PolarHBondContact O-N 2.8Å; C81-V83 PolarHBondContact SG-N 3.07Å; C81-H84 HydrophobicContact CB-CB 4.07Å; C81-H84 PolarHBondContact SG-N 3.3Å; C81-H84 VanDerWaalsContact SG-N 3.43Å; C81-H96 WeakPolarHBondContact CB-O 3.42Å; C81-H96 PolarHBondContact N-O 2.84Å; C81-S274 PolarHBondContact SG-N 3.04Å
82	P	96.9	Very high	95.1	Very high	48 Å²	48	46.2 Å²	46.2	31%	0.312	28%	0.275	S	S	.	.	S	Bend	trans	-73.4	-14.9	-179.4	30.2	-36.3	0	0	0	113.4	L72 F272	L72-P82 HydrophobicContact CD1-CB 4.16Å; L72-P82 HydrophobicContact CD2-CB 3.41Å; L72-P82 VanDerWaalsContact CD2-CB 3.41Å; L72-P82 HydrophobicContact CG-CB 4.43Å; P82-F272 WeakPolarHBondContact CD-O 3.37Å; P82-F272 HydrophobicContact CG-CD2 3.68Å; P82-F272 HydrophobicContact CG-CE2 3.89Å
83	V	97.1	Very high	95.1	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.121	25%	0.249	C	C	.	.	S	Bend	trans	-100	-36.1	-176.3	177.6	0	0	0	0	111.8	C81 T85 L273 A277 N291 V292	C81-V83 PolarHBondContact O-N 2.8Å; C81-V83 PolarHBondContact SG-N 3.07Å; V83-T85 PolarHBondContact O-N 2.97Å; V83-L273 HydrophobicContact CG2-CD2 4.03Å; V83-A277 HydrophobicContact CB-CB 4.17Å; V83-A277 HydrophobicContact CG1-CB 4.25Å; V83-N291 HydrophobicContact CG1-CB 3.47Å; V83-N291 VanDerWaalsContact CG1-CB 3.47Å; V83-N291 WeakPolarHBondContact CG1-O 3.45Å; V83-N291 HydrophobicContact CG2-CB 4.38Å; V83-V292 HydrophobicContact CG1-CG2 4.43Å; V83-V292 WeakPolarHBondContact O-CA 3.28Å; V83-V292 WeakPolarHBondContact O-CG2 3.3Å
84	H	97.8	Very high	95.2	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.014	24%	0.242	C	C	.	.			trans	-90.9	72.6	-166.4	-165.2	-176.9	0	0	0	112.1	C81 H96 S274 N276 C295 K299	C81-H84 HydrophobicContact CB-CB 4.07Å; C81-H84 PolarHBondContact SG-N 3.3Å; C81-H84 VanDerWaalsContact SG-N 3.43Å; H84-H96 HydrophobicContact CB-CB 4.17Å; H84-H96 AromaticContact CD2-CE1 3.66Å; H84-H96 AromaticContact CD2-CG 3.92Å; H84-H96 AromaticContact CD2-ND1 3.46Å; H84-H96 PolarHBondContact CD2-ND1 3.4Å; H84-H96 AromaticContact CE1-CD2 3.44Å; H84-H96 PolarHBondContact CE1-CD2 2.59Å; H84-H96 VanDerWaalsContact CE1-CD2 3.44Å; H84-H96 AromaticContact CE1-CE1 3.95Å; H84-H96 AromaticContact CE1-CG 3.54Å; H84-H96 AromaticContact CE1-ND1 3.83Å; H84-H96 AromaticContact CE1-NE2 3.68Å; H84-H96 AromaticContact CG-CG 3.64Å; H84-H96 AromaticContact CG-ND1 3.52Å; H84-H96 AromaticContact ND1-CD2 3.77Å; H84-H96 AromaticContact ND1-CG 3.41Å; H84-H96 AromaticContact ND1-ND1 3.76Å; H84-H96 AromaticContact NE2-CD2 3.81Å; H84-H96 AromaticContact NE2-CE1 3.56Å; H84-H96 AromaticContact NE2-CG 3.89Å; H84-H96 AromaticContact NE2-ND1 3.7Å; H84-H96 AromaticContact NE2-NE2 3.56Å; H84-H96 PolarHBondContact O-N 2.77Å; H84-H96 PolarHBondContact O-ND1 2.78Å; H84-S274 WeakPolarHBondContact CB-OG 3.22Å; H84-S274 PolarHBondContact ND1-OG 3.34Å; H84-N276 PolarHBondContact CE1-ND2 3.44Å; H84-C295 HydrophobicContact CB-CB 4.48Å; H84-K299 WeakPolarHBondContact NE2-CE 3.5Å; H84-K299 PolarHBondContact NE2-NZ 2.91Å
85	T	97.2	Very high	95.4	Very high	15 Å²	15	34.9 Å²	34.9	9%	0.092	21%	0.213	C	C	.	.			trans	-128.2	144.9	171.2	-167	0	0	0	0	108.6	V83 G92 L94 N95 V292	V83-T85 PolarHBondContact O-N 2.97Å; T85-G92 PolarHBondContact OG1-N 2.96Å; T85-L94 PolarHBondContact OG1-O 3.31Å; T85-N95 WeakPolarHBondContact CB-OD1 3.1Å; T85-N95 PolarHBondContact OG1-OD1 3.31Å; T85-N95 VanDerWaalsContact OG1-OD1 3.14Å; T85-V292 HydrophobicContact CG2-CG1 4.08Å; T85-V292 VanDerWaalsContact O-CG1 3.24Å; T85-V292 WeakPolarHBondContact O-CG1 3.24Å
86	P	95.2	Very high	95.6	Very high	17 Å²	17	30.7 Å²	30.7	11%	0.11	19%	0.194	C	C	.	.			trans	-69.3	158.1	172.1	33.5	-37.5	0	0	0	111.2	P90 C91 L94	P86-P90 HydrophobicContact CB-CG 4.1Å; P86-P90 HydrophobicContact CG-CB 3.84Å; P86-P90 HydrophobicContact CG-CG 3.57Å; P86-C91 VanDerWaalsContact O-CA 3.26Å; P86-C91 WeakPolarHBondContact O-CA 3.46Å; P86-C91 WeakPolarHBondContact O-CB 3.3Å; P86-L94 WeakPolarHBondContact CD-O 3.49Å; P86-L94 HydrophobicContact CG-CB 4.03Å; P86-L94 HydrophobicContact CG-CD2 4.08Å; P86-L94 HydrophobicContact CG-CG 4.38Å
87	D	92.1	Very high	95.7	Very high	69 Å²	69	30.8 Å²	30.8	37%	0.369	19%	0.192	S	C	.	.	S	Bend	trans	-76.9	172.3	165.5	68.9	-16.6	0	0	0	112.2	Y293 Q296	D87-Y293 HydrophobicContact CB-CE1 4.22Å; D87-Q296 PolarHBondContact OD1-NE2 2.88Å; D87-Q296 PolarHBondContact OD1-OE1 2.69Å
88	G	90.5	Very high	95.8	Very high	57 Å²	57	26 Å²	26	59%	0.588	17%	0.174	S	C	*	.	S	Bend	trans	77	-149.8	176	0	0	0	0	0	114.1	P90 C91	G88-P90 VanDerWaalsContact C-CD 3.45Å; G88-C91 WeakPolarHBondContact O-CB 3.39Å; G88-C91 PolarHBondContact O-N 3.46Å; G88-C91 VanDerWaalsContact O-N 3.1Å
89	A	89.9	Confident	95.7	Very high	72 Å²	72	27.8 Å²	27.8	60%	0.595	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.9	-174.4	0	0	0	0	0	115.8	R70 C91	R70-A89 PolarHBondContact NH1-O 2.84Å; R70-A89 PolarHBondContact NH2-O 2.87Å; A89-C91 VanDerWaalsContact C-N 3.33Å
90	P	93.2	Very high	95.6	Very high	46 Å²	46	29 Å²	29	30%	0.299	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	3.2	178.1	29.9	-31.6	0	0	0	114.9	P86 G88 G92 L93 L94	P86-P90 HydrophobicContact CB-CG 4.1Å; P86-P90 HydrophobicContact CG-CB 3.84Å; P86-P90 HydrophobicContact CG-CG 3.57Å; G88-P90 VanDerWaalsContact C-CD 3.45Å; P90-G92 PolarHBondContact O-N 3Å; P90-L93 PolarHBondContact O-N 3.48Å; P90-L94 HydrophobicContact CB-CB 4.2Å; P90-L94 PolarHBondContact O-N 3.01Å
91	C	95.1	Very high	95.6	Very high	54 Å²	54	27.4 Å²	27.4	37%	0.365	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	126.8	-179.3	-176.8	0	0	0	0	111.7	R70 P86 G88 A89 L93	R70-C91 PolarHBondContact NH1-O 2.84Å; P86-C91 VanDerWaalsContact O-CA 3.26Å; P86-C91 WeakPolarHBondContact O-CA 3.46Å; P86-C91 WeakPolarHBondContact O-CB 3.3Å; G88-C91 WeakPolarHBondContact O-CB 3.39Å; G88-C91 PolarHBondContact O-N 3.46Å; G88-C91 VanDerWaalsContact O-N 3.1Å; A89-C91 VanDerWaalsContact C-N 3.33Å; C91-L93 PolarHBondContact O-N 3.32Å
92	G	94.4	Very high	95.5	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-13	-177.1	0	0	0	0	0	115.4	R70 T85 P90 N95	R70-G92 WeakPolarHBondContact O-CA 3.44Å; T85-G92 PolarHBondContact OG1-N 2.96Å; P90-G92 PolarHBondContact O-N 3Å; G92-N95 PolarHBondContact O-ND2 3.44Å
93	L	95.4	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-41.7	177.4	-62.7	-179.7	0	0	0	112.4	H56 R57 F61 T62 V69 R70 P90 C91	H56-L93 WeakPolarHBondContact CA-O 3.18Å; R57-L93 HydrophobicContact CB-CD2 4.42Å; R57-L93 PolarHBondContact N-O 2.88Å; R57-L93 VanDerWaalsContact N-O 3.16Å; F61-L93 HydrophobicContact CB-CD2 4Å; T62-L93 HydrophobicContact CG2-CD1 4.41Å; V69-L93 HydrophobicContact CG2-CD2 4.05Å; R70-L93 HydrophobicContact CG-CD2 4Å; R70-L93 HydrophobicContact CG-CG 4.15Å; P90-L93 PolarHBondContact O-N 3.48Å; C91-L93 PolarHBondContact O-N 3.32Å
94	L	95.9	Very high	95.1	Very high	53 Å²	53	31 Å²	31	28%	0.277	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	108.7	170.3	-179.9	61.8	0	0	0	108.7	H56 T85 P86 P90	H56-L94 HydrophobicContact CB-CD1 4.4Å; T85-L94 PolarHBondContact OG1-O 3.31Å; P86-L94 WeakPolarHBondContact CD-O 3.49Å; P86-L94 HydrophobicContact CG-CB 4.03Å; P86-L94 HydrophobicContact CG-CD2 4.08Å; P86-L94 HydrophobicContact CG-CG 4.38Å; P90-L94 HydrophobicContact CB-CB 4.2Å; P90-L94 PolarHBondContact O-N 3.01Å
95	N	97	Very high	94.8	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.123	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	175.4	177.1	-58	-56.3	0	0	0	110	G54 I55 I80 T85 G92	G54-N95 WeakPolarHBondContact CA-O 3.19Å; I55-N95 HydrophobicContact CD1-CB 4.45Å; I55-N95 HydrophobicContact CG1-CB 4.17Å; I55-N95 WeakPolarHBondContact CG1-O 3.28Å; I55-N95 PolarHBondContact N-O 3.32Å; I55-N95 PolarHBondContact O-N 3Å; I55-N95 VanDerWaalsContact O-O 3.13Å; I80-N95 HydrophobicContact CG2-CB 3.42Å; I80-N95 VanDerWaalsContact CG2-CB 3.42Å; T85-N95 WeakPolarHBondContact CB-OD1 3.1Å; T85-N95 PolarHBondContact OG1-OD1 3.31Å; T85-N95 VanDerWaalsContact OG1-OD1 3.14Å; G92-N95 PolarHBondContact O-ND2 3.44Å
96	H	98	Very high	94.2	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.032	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.5	176.5	-57.9	68	0	0	0	109.4	S50 R53 C81 H84 K299	S50-H96 PolarHBondContact O-CD2 3.06Å; S50-H96 VanDerWaalsContact O-CD2 3.27Å; R53-H96 CarbonylContact O-C 3.56Å; R53-H96 VanDerWaalsContact O-CA 3.22Å; R53-H96 WeakPolarHBondContact O-CA 3.39Å; C81-H96 WeakPolarHBondContact CB-O 3.42Å; C81-H96 PolarHBondContact N-O 2.84Å; H84-H96 HydrophobicContact CB-CB 4.17Å; H84-H96 AromaticContact CD2-CE1 3.66Å; H84-H96 AromaticContact CD2-CG 3.92Å; H84-H96 AromaticContact CD2-ND1 3.46Å; H84-H96 PolarHBondContact CD2-ND1 3.4Å; H84-H96 AromaticContact CE1-CD2 3.44Å; H84-H96 PolarHBondContact CE1-CD2 2.59Å; H84-H96 VanDerWaalsContact CE1-CD2 3.44Å; H84-H96 AromaticContact CE1-CE1 3.95Å; H84-H96 AromaticContact CE1-CG 3.54Å; H84-H96 AromaticContact CE1-ND1 3.83Å; H84-H96 AromaticContact CE1-NE2 3.68Å; H84-H96 AromaticContact CG-CG 3.64Å; H84-H96 AromaticContact CG-ND1 3.52Å; H84-H96 AromaticContact ND1-CD2 3.77Å; H84-H96 AromaticContact ND1-CG 3.41Å; H84-H96 AromaticContact ND1-ND1 3.76Å; H84-H96 AromaticContact NE2-CD2 3.81Å; H84-H96 AromaticContact NE2-CE1 3.56Å; H84-H96 AromaticContact NE2-CG 3.89Å; H84-H96 AromaticContact NE2-ND1 3.7Å; H84-H96 AromaticContact NE2-NE2 3.56Å; H84-H96 PolarHBondContact O-N 2.77Å; H84-H96 PolarHBondContact O-ND1 2.78Å; H96-K299 PolarHBondContact CE1-NZ 3.24Å
97	L	97.8	Very high	93.5	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-60.8	149	174	-62	175.8	0	0	0	110.6	R53 I55 F79 C101 M222 S274	R53-L97 VanDerWaalsContact NH2-CB 3.31Å; R53-L97 PolarHBondContact O-N 3.17Å; I55-L97 HydrophobicContact CD1-CD2 3.93Å; I55-L97 HydrophobicContact CG2-CD1 4.27Å; I55-L97 HydrophobicContact CG2-CD2 4.03Å; I55-L97 HydrophobicContact CG2-CG 3.91Å; F79-L97 CarbonylContact O-C 3.55Å; F79-L97 VanDerWaalsContact O-CA 3.3Å; F79-L97 WeakPolarHBondContact O-CA 3.19Å; L97-C101 HydrophobicContact CB-CB 4.4Å; L97-M222 HydrophobicContact CD2-SD 3.69Å; L97-S274 WeakPolarHBondContact O-CB 3.46Å
98	T	97.8	Very high	93.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-59.5	164.7	169.3	61.8	0	0	0	0	110.7	R53 G78 F79 S100 C101 S271 F272 L273	R53-T98 PolarHBondContact NH2-O 2.99Å; G78-T98 VanDerWaalsContact C-CG2 3.4Å; G78-T98 WeakPolarHBondContact O-CB 3.36Å; G78-T98 WeakPolarHBondContact O-CG2 3.38Å; G78-T98 PolarHBondContact O-OG1 3.45Å; F79-T98 PolarHBondContact O-N 3.46Å; T98-S100 VanDerWaalsContact C-N 3.28Å; T98-S100 PolarHBondContact O-N 3.05Å; T98-C101 WeakPolarHBondContact OG1-CB 3.43Å; T98-C101 PolarHBondContact OG1-N 2.88Å; T98-S271 WeakPolarHBondContact CB-O 3.46Å; T98-F272 VanDerWaalsContact CG2-C 3.49Å; T98-F272 WeakPolarHBondContact CG2-O 3.39Å; T98-L273 WeakPolarHBondContact CA-O 3.4Å
99	A	96.4	Very high	93.2	Very high	38 Å²	38	45.9 Å²	45.9	31%	0.314	28%	0.28	S	S	.	.	S	Bend	trans	-67.5	-28.9	-178.4	0	0	0	0	0	113.8	L273 Y336	A99-L273 PolarHBondContact N-O 3.4Å; A99-Y336 WeakPolarHBondContact CB-OH 3.19Å
100	S	95.1	Very high	93.3	Very high	25 Å²	25	44.1 Å²	44.1	18%	0.175	26%	0.262	C	S	.	.	S	Bend	trans	-93.4	-14.7	-176.7	53.6	0	0	0	0	114.3	T98 P225 S271	T98-S100 VanDerWaalsContact C-N 3.28Å; T98-S100 PolarHBondContact O-N 3.05Å; S100-P225 WeakPolarHBondContact O-CD 3.07Å; S100-S271 PolarHBondContact OG-O 3.19Å
101	C	96.8	Very high	93.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	28%	0.28	C	S	.	.			trans	-67.7	134.7	178.3	176.4	0	0	0	0	111.8	R53 L97 T98 M223	R53-C101 PolarHBondContact NH1-O 3.47Å; R53-C101 PolarHBondContact NH2-O 3.28Å; L97-C101 HydrophobicContact CB-CB 4.4Å; T98-C101 WeakPolarHBondContact OG1-CB 3.43Å; T98-C101 PolarHBondContact OG1-N 2.88Å; C101-M223 CarbonylContact C-O 3.59Å; C101-M223 WeakPolarHBondContact CA-O 3.32Å
102	E	95.1	Very high	93.3	Very high	81 Å²	81	48.7 Å²	48.7	38%	0.379	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.2	176.4	-65.2	179.6	-167	0	0	110.1	M223 M239	E102-M223 PolarHBondContact N-O 3.27Å; E102-M223 PolarHBondContact O-N 3.01Å; E102-M239 HydrophobicContact CB-CE 4.28Å; E102-M239 HydrophobicContact CG-CE 4.45Å
103	A	93.4	Very high	93.4	Very high	60 Å²	60	48.3 Å²	48.3	50%	0.496	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.5	171.1	0	0	0	0	0	108.9	T105 R221	A103-T105 PolarHBondContact O-N 3.31Å; A103-R221 WeakPolarHBondContact CA-O 3.09Å
104	T	93.7	Very high	93.4	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.037	29%	0.286	C	S	.	.			trans	-67.9	129.9	-177.1	57.9	0	0	0	0	111.4	F195 D218 T219 G220 R221 M223	T104-F195 HydrophobicContact CG2-CB 3.82Å; T104-F195 HydrophobicContact CG2-CD1 3.81Å; T104-F195 HydrophobicContact CG2-CG 3.93Å; T104-D218 PolarHBondContact OG1-O 3.18Å; T104-D218 VanDerWaalsContact OG1-O 3.12Å; T104-T219 WeakPolarHBondContact OG1-CA 3.19Å; T104-G220 PolarHBondContact O-N 2.99Å; T104-G220 PolarHBondContact OG1-N 3.04Å; T104-G220 VanDerWaalsContact OG1-N 3.09Å; T104-R221 HydrophobicContact CG2-CB 4.27Å; T104-R221 PolarHBondContact N-O 3.44Å; T104-R221 PolarHBondContact OG1-N 3.16Å; T104-M223 HydrophobicContact CG2-CB 4.44Å; T104-M223 HydrophobicContact CG2-CG 3.4Å; T104-M223 VanDerWaalsContact CG2-CG 3.4Å
105	T	91.7	Very high	93.3	Very high	122 Å²	122	51.2 Å²	51.2	75%	0.748	29%	0.291	S	S	*	.			trans	-130.7	-6.5	177.8	52.5	0	0	0	0	113.1	A103	A103-T105 PolarHBondContact O-N 3.31Å
106	E	84.5	Confident	93.3	Very high	82 Å²	82	51.9 Å²	51.9	38%	0.383	29%	0.292	S	S	.	.	S	Bend	trans	-69.5	149.1	179.3	-68.9	-171.7	-178.2	0	0	111.6	F195 T219	E106-F195 HydrophobicContact CB-CD2 4.42Å; E106-F195 VanDerWaalsContact CD-CE2 3.5Å; E106-F195 HydrophobicContact CG-CD2 4.09Å; E106-F195 HydrophobicContact CG-CE2 4.05Å; E106-F195 WeakPolarHBondContact OE1-CE2 3.35Å; E106-F195 WeakPolarHBondContact OE2-CD2 3.45Å; E106-T219 WeakPolarHBondContact O-CG2 3.49Å
107	P	79.8	Confident	93.2	Very high	120 Å²	120	51.5 Å²	51.5	78%	0.779	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-61.3	148.7	178.3	25.4	-33.5	0	0	0	111.4	C109	P107-C109 PolarHBondContact O-N 3.16Å
108	K	84.1	Confident	93	Very high	122 Å²	122	53.7 Å²	53.7	53%	0.53	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-58.8	133.1	-179.1	-57.5	-168.3	-170.8	-163	0	111.1	D218	K108-D218 WeakPolarHBondContact CD-OD1 3.35Å; K108-D218 WeakPolarHBondContact CE-OD1 2.96Å; K108-D218 IonicContact NZ-OD1 2.84Å; K108-D218 PolarHBondContact NZ-OD1 3.25Å; K108-D218 IonicContact NZ-OD2 2.68Å
109	C	91.2	Very high	92.9	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.176	34%	0.338	C	S	.	.			trans	-104.3	20.3	173.6	58.3	0	0	0	0	112.8	P107 K111 A112 V113 T192 V196	P107-C109 PolarHBondContact O-N 3.16Å; C109-K111 VanDerWaalsContact C-N 3.32Å; C109-K111 PolarHBondContact O-N 3.42Å; C109-K111 VanDerWaalsContact O-N 3.16Å; C109-A112 PolarHBondContact O-N 2.79Å; C109-V113 PolarHBondContact O-N 3.05Å; C109-T192 HydrophobicContact CB-CG2 4.27Å; C109-T192 PolarHBondContact SG-O 3.22Å; C109-V196 VanDerWaalsContact SG-CG2 3.53Å
110	T	93.5	Very high	92.8	Very high	35 Å²	35	60.6 Å²	60.6	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-44.4	-49.8	-176.7	-42.8	0	0	0	0	113.4	A112 V113 I114 V162 D163 T217	T110-A112 PolarHBondContact O-N 2.6Å; T110-V113 WeakPolarHBondContact O-CB 3.43Å; T110-V113 PolarHBondContact O-N 3.29Å; T110-I114 HydrophobicContact CG2-CD1 4.01Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 2.53Å; T110-V162 HydrophobicContact CG2-CG1 3.72Å; T110-D163 PolarHBondContact OG1-OD2 3.02Å; T110-T217 PolarHBondContact OG1-OG1 2.93Å
111	K	93.7	Very high	92.4	Very high	155 Å²	155	60.9 Å²	60.9	67%	0.674	34%	0.34	S	S	*	.	H	α-helix	trans	-61.4	-47.9	-178.9	-177	176.9	178.7	177	0	111.9	C109 V113 I114 D115	C109-K111 VanDerWaalsContact C-N 3.32Å; C109-K111 PolarHBondContact O-N 3.42Å; C109-K111 VanDerWaalsContact O-N 3.16Å; K111-V113 PolarHBondContact O-N 2.77Å; K111-I114 PolarHBondContact O-N 2.75Å; K111-D115 VanDerWaalsContact O-CG 3.23Å; K111-D115 PolarHBondContact O-N 2.89Å
112	A	94.8	Very high	92.1	Very high	41 Å²	41	61.2 Å²	61.2	34%	0.339	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-34.5	179.5	0	0	0	0	0	111.8	C109 T110 F116 F193	C109-A112 PolarHBondContact O-N 2.79Å; T110-A112 PolarHBondContact O-N 2.6Å; A112-F116 VanDerWaalsContact O-CB 3.3Å; A112-F116 WeakPolarHBondContact O-CB 3.5Å; A112-F116 PolarHBondContact O-N 3.13Å; A112-F193 HydrophobicContact CB-CE1 3.95Å; A112-F193 HydrophobicContact CB-CZ 4.47Å; A112-F193 WeakPolarHBondContact O-CZ 3.07Å
113	V	95.7	Very high	91.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-46.7	173.8	171.3	0	0	0	0	111.2	C109 T110 K111 F116 L117 V162 F193 V196 I215 T217	C109-V113 PolarHBondContact O-N 3.05Å; T110-V113 WeakPolarHBondContact O-CB 3.43Å; T110-V113 PolarHBondContact O-N 3.29Å; K111-V113 PolarHBondContact O-N 2.77Å; V113-F116 PolarHBondContact O-N 2.94Å; V113-L117 HydrophobicContact CG1-CD1 3.98Å; V113-L117 HydrophobicContact CG1-CG 4.47Å; V113-L117 VanDerWaalsContact O-CG 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.47Å; V113-L117 PolarHBondContact O-N 2.99Å; V113-V162 HydrophobicContact CG1-CG1 4.4Å; V113-V162 HydrophobicContact CG1-CG2 4.48Å; V113-F193 HydrophobicContact CB-CZ 4.36Å; V113-F193 HydrophobicContact CG2-CD2 4.31Å; V113-F193 HydrophobicContact CG2-CE1 4.12Å; V113-F193 HydrophobicContact CG2-CE2 3.9Å; V113-F193 HydrophobicContact CG2-CZ 3.81Å; V113-V196 HydrophobicContact CG2-CG1 4.37Å; V113-V196 HydrophobicContact CG2-CG2 3.85Å; V113-I215 HydrophobicContact CG1-CD1 4.36Å; V113-I215 HydrophobicContact CG1-CG2 3.83Å; V113-T217 HydrophobicContact CB-CG2 4.45Å; V113-T217 HydrophobicContact CG2-CG2 3.89Å
114	I	95	Very high	91.5	Very high	44 Å²	44	58.7 Å²	58.7	23%	0.226	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-47.1	178.2	-67.3	168.2	0	0	0	110.8	T110 K111 F116 L117 L118 V162 V167	T110-I114 HydrophobicContact CG2-CD1 4.01Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 2.53Å; K111-I114 PolarHBondContact O-N 2.75Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 3.17Å; I114-L117 WeakPolarHBondContact O-CB 3.27Å; I114-L117 PolarHBondContact O-N 3.03Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I114-L118 HydrophobicContact CG2-CD1 4.08Å; I114-L118 HydrophobicContact CG2-CG 4.44Å; I114-L118 WeakPolarHBondContact O-CG 3.31Å; I114-L118 PolarHBondContact O-N 3.33Å; I114-V162 HydrophobicContact CG1-CB 4.48Å; I114-V162 HydrophobicContact CG1-CG1 4.48Å; I114-V162 HydrophobicContact CG1-CG2 4.22Å; I114-V167 HydrophobicContact CD1-CG1 3.92Å; I114-V167 HydrophobicContact CG1-CG1 4.19Å
115	D	95.4	Very high	91.1	Very high	70 Å²	70	58.7 Å²	58.7	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-57.5	-45.4	177.4	-65.4	-19.9	0	0	0	110.1	K111 L117 L118 D119	K111-D115 VanDerWaalsContact O-CG 3.23Å; K111-D115 PolarHBondContact O-N 2.89Å; D115-L117 PolarHBondContact O-N 3.17Å; D115-L118 PolarHBondContact O-N 2.82Å; D115-D119 VanDerWaalsContact O-CG 3.28Å; D115-D119 PolarHBondContact O-N 3.29Å
116	F	96	Very high	90.5	Very high	36 Å²	36	60.2 Å²	60.2	16%	0.158	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-39.4	176.1	-177.5	-90	0	0	0	113.3	A112 V113 I114 N120 K181 L182 R185 F193	A112-F116 VanDerWaalsContact O-CB 3.3Å; A112-F116 WeakPolarHBondContact O-CB 3.5Å; A112-F116 PolarHBondContact O-N 3.13Å; V113-F116 PolarHBondContact O-N 2.94Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 3.17Å; F116-N120 WeakPolarHBondContact CZ-ND2 3.34Å; F116-N120 WeakPolarHBondContact O-CB 3.33Å; F116-N120 PolarHBondContact O-N 3.04Å; F116-N120 VanDerWaalsContact O-N 3.13Å; F116-N120 PolarHBondContact O-ND2 3.18Å; F116-K181 HydrophobicContact CE1-CB 4.34Å; F116-K181 HydrophobicContact CZ-CB 4.14Å; F116-L182 HydrophobicContact CD1-CD2 3.52Å; F116-L182 HydrophobicContact CD1-CG 4.27Å; F116-L182 HydrophobicContact CE1-CD2 3.64Å; F116-L182 HydrophobicContact CE1-CG 3.95Å; F116-R185 HydrophobicContact CD2-CG 4.36Å; F116-R185 HydrophobicContact CE2-CB 4.26Å; F116-R185 HydrophobicContact CE2-CG 4.05Å; F116-R185 HydrophobicContact CZ-CB 4.11Å; F116-R185 HydrophobicContact CZ-CG 4.38Å; F116-F193 HydrophobicContact CB-CE2 4.09Å; F116-F193 HydrophobicContact CB-CZ 3.87Å; F116-F193 HydrophobicContact CD1-CE2 4.2Å; F116-F193 HydrophobicContact CG-CE2 4.03Å; F116-F193 HydrophobicContact CG-CZ 4.22Å
117	L	95.7	Very high	90.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-43.8	177.8	-71.5	164.4	0	0	0	111.4	V113 I114 D115 N120 G121 M122 V160 V162 M178 L182 L213 I215	V113-L117 HydrophobicContact CG1-CD1 3.98Å; V113-L117 HydrophobicContact CG1-CG 4.47Å; V113-L117 VanDerWaalsContact O-CG 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.47Å; V113-L117 PolarHBondContact O-N 2.99Å; I114-L117 WeakPolarHBondContact O-CB 3.27Å; I114-L117 PolarHBondContact O-N 3.03Å; I114-L117 VanDerWaalsContact O-N 3.12Å; D115-L117 PolarHBondContact O-N 3.17Å; L117-N120 CarbonylContact O-C 3.5Å; L117-N120 PolarHBondContact O-N 2.93Å; L117-G121 PolarHBondContact O-N 3.32Å; L117-M122 HydrophobicContact CB-CB 3.98Å; L117-M122 HydrophobicContact CB-CE 3.78Å; L117-M122 HydrophobicContact CB-CG 4.49Å; L117-M122 HydrophobicContact CB-SD 3.73Å; L117-M122 HydrophobicContact CD1-SD 4.04Å; L117-M122 HydrophobicContact CG-SD 4.4Å; L117-M122 WeakPolarHBondContact O-CB 3.1Å; L117-M122 PolarHBondContact O-N 3.4Å; L117-V160 HydrophobicContact CD1-CG1 4.05Å; L117-V162 HydrophobicContact CD1-CG2 3.85Å; L117-M178 HydrophobicContact CD2-CG 4.14Å; L117-M178 HydrophobicContact CD2-SD 3.72Å; L117-L182 HydrophobicContact CD2-CD1 3.89Å; L117-L182 HydrophobicContact CD2-CD2 4.23Å; L117-L182 HydrophobicContact CD2-CG 4.42Å; L117-L213 HydrophobicContact CD2-CD2 4.46Å; L117-I215 HydrophobicContact CD1-CD1 3.71Å; L117-I215 HydrophobicContact CD2-CD1 3.85Å; L117-I215 HydrophobicContact CG-CD1 4.3Å
118	L	94.6	Very high	89.6	Confident	64 Å²	64	56 Å²	56	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-47.4	177	-68	171.9	0	0	0	110.9	I114 D115 N120 G121 M122 D124	I114-L118 HydrophobicContact CG2-CD1 4.08Å; I114-L118 HydrophobicContact CG2-CG 4.44Å; I114-L118 WeakPolarHBondContact O-CG 3.31Å; I114-L118 PolarHBondContact O-N 3.33Å; D115-L118 PolarHBondContact O-N 2.82Å; L118-N120 PolarHBondContact O-N 3.16Å; L118-N120 VanDerWaalsContact O-N 3.17Å; L118-G121 PolarHBondContact O-N 3.11Å; L118-M122 HydrophobicContact CD2-CE 3.52Å; L118-M122 HydrophobicContact CG-CE 3.79Å; L118-D124 HydrophobicContact CD2-CB 3.77Å
119	D	94.6	Very high	88.9	Confident	139 Å²	139	57.7 Å²	57.7	74%	0.743	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-26.6	178.1	-71.6	-15.6	0	0	0	112.6	D115	D115-D119 VanDerWaalsContact O-CG 3.28Å; D115-D119 PolarHBondContact O-N 3.29Å
120	N	93.9	Very high	87.5	Confident	44 Å²	44	63.1 Å²	63.1	24%	0.235	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	16.3	178.9	-72.7	-81.7	0	0	0	113.9	F116 L117 L118 M178 K181	F116-N120 WeakPolarHBondContact CZ-ND2 3.34Å; F116-N120 WeakPolarHBondContact O-CB 3.33Å; F116-N120 PolarHBondContact O-N 3.04Å; F116-N120 VanDerWaalsContact O-N 3.13Å; F116-N120 PolarHBondContact O-ND2 3.18Å; L117-N120 CarbonylContact O-C 3.5Å; L117-N120 PolarHBondContact O-N 2.93Å; L118-N120 PolarHBondContact O-N 3.16Å; L118-N120 VanDerWaalsContact O-N 3.17Å; N120-M178 WeakPolarHBondContact O-CE 3.38Å; N120-K181 WeakPolarHBondContact OD1-CD 3.22Å
121	G	87.8	Confident	86	Confident	30 Å²	30	66.3 Å²	66.3	31%	0.309	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	20.6	167.6	0	0	0	0	0	115.6	L117 L118	L117-G121 PolarHBondContact O-N 3.32Å; L118-G121 PolarHBondContact O-N 3.11Å
122	M	91.1	Very high	84.2	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.044	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-69.5	133	161.9	-176.6	-174.6	71.6	0	0	109.5	L117 L118 V160 V167 M178	L117-M122 HydrophobicContact CB-CB 3.98Å; L117-M122 HydrophobicContact CB-CE 3.78Å; L117-M122 HydrophobicContact CB-CG 4.49Å; L117-M122 HydrophobicContact CB-SD 3.73Å; L117-M122 HydrophobicContact CD1-SD 4.04Å; L117-M122 HydrophobicContact CG-SD 4.4Å; L117-M122 WeakPolarHBondContact O-CB 3.1Å; L117-M122 PolarHBondContact O-N 3.4Å; L118-M122 HydrophobicContact CD2-CE 3.52Å; L118-M122 HydrophobicContact CG-CE 3.79Å; M122-V160 HydrophobicContact CG-CB 4.48Å; M122-V160 HydrophobicContact CG-CG2 4.13Å; M122-V160 HydrophobicContact SD-CB 3.8Å; M122-V160 HydrophobicContact SD-CG1 3.7Å; M122-V160 HydrophobicContact SD-CG2 4.06Å; M122-V167 HydrophobicContact CE-CB 4.39Å; M122-V167 HydrophobicContact CE-CG2 4.08Å; M122-V167 HydrophobicContact SD-CG2 3.74Å; M122-M178 HydrophobicContact CB-CE 4.21Å
123	T	89.4	Confident	82.1	Confident	47 Å²	47	67.7 Å²	67.7	29%	0.288	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.8	172.5	-44.1	0	0	0	0	109.6	I125 C128 I135 G168 Y169	T123-I125 PolarHBondContact O-N 3.41Å; T123-C128 VanDerWaalsContact CG2-SG 3.59Å; T123-I135 HydrophobicContact CG2-CD1 3.94Å; T123-G168 CarbonylContact O-C 3.5Å; T123-G168 WeakPolarHBondContact O-CA 3.39Å; T123-Y169 PolarHBondContact N-O 3.04Å; T123-Y169 PolarHBondContact O-N 3.32Å
124	D	86.7	Confident	80	Confident	40 Å²	40	71.4 Å²	71.4	21%	0.214	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	128.9	178.8	177.1	17.4	0	0	0	112.1	L118 Y126 Q127 C128	L118-D124 HydrophobicContact CD2-CB 3.77Å; D124-Y126 PolarHBondContact O-N 3.05Å; D124-Y126 PolarHBondContact OD1-N 3.24Å; D124-Q127 HydrophobicContact CB-CB 4.31Å; D124-Q127 HydrophobicContact CB-CG 4.18Å; D124-Q127 PolarHBondContact O-N 3.24Å; D124-Q127 VanDerWaalsContact O-N 3.16Å; D124-C128 PolarHBondContact O-N 3.41Å; D124-C128 PolarHBondContact O-SG 3.35Å
125	I	84.8	Confident	77.8	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.036	36%	0.364	C	S	.	.	H	α-helix	trans	-55.9	-36.7	177	-166.7	177.1	0	0	0	112.8	T123 C128 R129 H166 V167	T123-I125 PolarHBondContact O-N 3.41Å; I125-C128 PolarHBondContact O-N 2.89Å; I125-R129 WeakPolarHBondContact O-CG 3.17Å; I125-R129 PolarHBondContact O-N 2.94Å; I125-H166 HydrophobicContact CD1-CB 4.32Å; I125-H166 WeakPolarHBondContact CD1-ND1 3.49Å; I125-H166 VanDerWaalsContact CD1-O 3.32Å; I125-H166 WeakPolarHBondContact CD1-O 3.41Å; I125-V167 WeakPolarHBondContact CB-O 3.41Å; I125-V167 WeakPolarHBondContact CG2-O 3.26Å; I125-V167 PolarHBondContact N-O 2.95Å
126	Y	78.8	Confident	75.4	Confident	154 Å²	154	68.3 Å²	68.3	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-68	-41.6	-179.1	-71.8	-82.4	0	0	0	110.7	D124 C128 R129 L130	D124-Y126 PolarHBondContact O-N 3.05Å; D124-Y126 PolarHBondContact OD1-N 3.24Å; Y126-C128 VanDerWaalsContact C-N 3.33Å; Y126-C128 PolarHBondContact O-N 3.48Å; Y126-R129 PolarHBondContact O-N 3.05Å; Y126-L130 WeakPolarHBondContact O-CB 3.44Å; Y126-L130 WeakPolarHBondContact O-CD1 3.49Å; Y126-L130 WeakPolarHBondContact O-CG 3.31Å; Y126-L130 PolarHBondContact O-N 3.3Å
127	Q	74.8	Confident	72.8	Confident	114 Å²	114	72.6 Å²	72.6	53%	0.533	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-39.3	173.6	-69.6	-162.4	6.1	0	0	112.2	D124 R129 L130 N131	D124-Q127 HydrophobicContact CB-CB 4.31Å; D124-Q127 HydrophobicContact CB-CG 4.18Å; D124-Q127 PolarHBondContact O-N 3.24Å; D124-Q127 VanDerWaalsContact O-N 3.16Å; Q127-R129 VanDerWaalsContact C-N 3.34Å; Q127-R129 PolarHBondContact O-N 3.02Å; Q127-L130 PolarHBondContact O-N 3.01Å; Q127-N131 VanDerWaalsContact O-CB 3.31Å; Q127-N131 WeakPolarHBondContact O-CB 3.14Å; Q127-N131 PolarHBondContact O-N 2.97Å; Q127-N131 PolarHBondContact O-ND2 2.85Å
128	C	69.8	Low	70.3	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-60.7	-44.9	175.7	-52.9	0	0	0	0	111.8	T123 D124 I125 Y126 N132 I133 I135 I139 Y169	T123-C128 VanDerWaalsContact CG2-SG 3.59Å; D124-C128 PolarHBondContact O-N 3.41Å; D124-C128 PolarHBondContact O-SG 3.35Å; I125-C128 PolarHBondContact O-N 2.89Å; Y126-C128 VanDerWaalsContact C-N 3.33Å; Y126-C128 PolarHBondContact O-N 3.48Å; C128-N132 PolarHBondContact O-N 3.21Å; C128-I133 PolarHBondContact O-N 2.76Å; C128-I133 VanDerWaalsContact O-N 3.17Å; C128-I135 HydrophobicContact CB-CD1 4.15Å; C128-I135 WeakPolarHBondContact SG-CD1 3.38Å; C128-I139 HydrophobicContact CB-CD1 3.88Å; C128-Y169 HydrophobicContact CB-CE2 4.41Å
129	R	69.3	Low	67.7	Low	156 Å²	156	74.6 Å²	74.6	59%	0.589	41%	0.406	S	S	*	.	H	α-helix	trans	-67.9	-42.6	179.2	-74.1	179.2	176.4	175.3	1.2	112.5	I125 Y126 Q127	I125-R129 WeakPolarHBondContact O-CG 3.17Å; I125-R129 PolarHBondContact O-N 2.94Å; Y126-R129 PolarHBondContact O-N 3.05Å; Q127-R129 VanDerWaalsContact C-N 3.34Å; Q127-R129 PolarHBondContact O-N 3.02Å
130	L	62.5	Low	64.8	Low	141 Å²	141	72.4 Å²	72.4	74%	0.738	40%	0.401	S	S	*	.	H	α-helix	trans	-67.7	-42.2	-179.1	-80	162.6	0	0	0	112.3	Y126 Q127 N132	Y126-L130 WeakPolarHBondContact O-CB 3.44Å; Y126-L130 WeakPolarHBondContact O-CD1 3.49Å; Y126-L130 WeakPolarHBondContact O-CG 3.31Å; Y126-L130 PolarHBondContact O-N 3.3Å; Q127-L130 PolarHBondContact O-N 3.01Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.07Å
131	N	61.9	Low	62	Low	101 Å²	101	76.5 Å²	76.5	54%	0.54	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.7	-175.1	-65.2	-25	0	0	0	113.3	Q127 I133	Q127-N131 VanDerWaalsContact O-CB 3.31Å; Q127-N131 WeakPolarHBondContact O-CB 3.14Å; Q127-N131 PolarHBondContact O-N 2.97Å; Q127-N131 PolarHBondContact O-ND2 2.85Å; N131-I133 HydrophobicContact CB-CD1 3.49Å; N131-I133 VanDerWaalsContact CB-CD1 3.49Å; N131-I133 HydrophobicContact CB-CG1 3.52Å; N131-I133 PolarHBondContact O-N 2.89Å
132	N	55.4	Low	59.2	Low	143 Å²	143	81.2 Å²	81.2	77%	0.765	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	30.6	-173.8	-119.4	3.5	0	0	0	112.4	C128 L130 A134	C128-N132 PolarHBondContact O-N 3.21Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.07Å; N132-A134 PolarHBondContact O-N 3.43Å
133	I	51.8	Low	56.2	Low	83 Å²	83	85.3 Å²	85.3	43%	0.426	47%	0.471	S	S	.	.			trans	-73.3	105.1	-178.2	-64.5	167.2	0	0	0	105.9	C128 N131 I135	C128-I133 PolarHBondContact O-N 2.76Å; C128-I133 VanDerWaalsContact O-N 3.17Å; N131-I133 HydrophobicContact CB-CD1 3.49Å; N131-I133 VanDerWaalsContact CB-CD1 3.49Å; N131-I133 HydrophobicContact CB-CG1 3.52Å; N131-I133 PolarHBondContact O-N 2.89Å; I133-I135 HydrophobicContact CB-CG1 4.49Å; I133-I135 HydrophobicContact CG2-CD1 4.49Å; I133-I135 HydrophobicContact CG2-CG1 3.72Å; I133-I135 PolarHBondContact O-N 3.25Å
134	A	51.1	Low	53.3	Low	78 Å²	78	88.5 Å²	88.5	65%	0.645	49%	0.49	S	S	*	.			trans	-66.4	85.1	169.3	0	0	0	0	0	108.5	N132 G136	N132-A134 PolarHBondContact O-N 3.43Å; A134-G136 CarbonylContact C-O 3.53Å; A134-G136 PolarHBondContact O-N 2.79Å
135	I	49.4	Very low	50.7	Low	12 Å²	12	91.1 Å²	91.1	6%	0.062	52%	0.518	C	S	.	.	S	Bend	trans	-73.1	76.3	167.5	-57.6	-168.8	0	0	0	106.7	T123 C128 I133 Y157 Y169	T123-I135 HydrophobicContact CG2-CD1 3.94Å; C128-I135 HydrophobicContact CB-CD1 4.15Å; C128-I135 WeakPolarHBondContact SG-CD1 3.38Å; I133-I135 HydrophobicContact CB-CG1 4.49Å; I133-I135 HydrophobicContact CG2-CD1 4.49Å; I133-I135 HydrophobicContact CG2-CG1 3.72Å; I133-I135 PolarHBondContact O-N 3.25Å; I135-Y157 HydrophobicContact CG2-CD1 3.48Å; I135-Y157 VanDerWaalsContact CG2-CD1 3.48Å; I135-Y157 HydrophobicContact CG2-CD2 3.35Å; I135-Y157 HydrophobicContact CG2-CE1 3.62Å; I135-Y157 HydrophobicContact CG2-CE2 3.55Å; I135-Y157 HydrophobicContact CG2-CG 3.35Å; I135-Y169 HydrophobicContact CD1-CD2 3.97Å; I135-Y169 HydrophobicContact CD1-CG 4.39Å; I135-Y169 HydrophobicContact CG2-CG 4.31Å
136	G	45	Very low	48.2	Very low	37 Å²	37	97 Å²	97	38%	0.381	55%	0.554	S	S	.	*	S	Bend	trans	61	178	-164.5	0	0	0	0	0	112.2	A134 A138	A134-G136 CarbonylContact C-O 3.53Å; A134-G136 PolarHBondContact O-N 2.79Å; G136-A138 PolarHBondContact O-N 3.3Å
137	N	41.2	Very low	46	Very low	126 Å²	126	92.3 Å²	92.3	67%	0.674	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	37	-176.6	-81.7	-19.4	0	0	0	115.2	F151	N137-F151 HydrophobicContact CB-CD1 3.88Å; N137-F151 HydrophobicContact CB-CE1 3.62Å; N137-F151 WeakPolarHBondContact ND2-CE1 3.33Å
138	A	42.5	Very low	44.2	Very low	49 Å²	49	92.9 Å²	92.9	41%	0.405	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.7	-10.9	-172.6	0	0	0	0	0	115	G136	G136-A138 PolarHBondContact O-N 3.3Å
139	I	40.1	Very low	42.3	Very low	56 Å²	56	103.4 Å²	103.4	29%	0.287	60%	0.599	S	S	.	*	S	Bend	trans	-118.8	-4.3	-173.3	-54.4	-179.1	0	0	0	114.2	C128 Y169	C128-I139 HydrophobicContact CB-CD1 3.88Å; I139-Y169 HydrophobicContact CD1-CE2 4.16Å
140	S	33.4	Very low	40.5	Very low	93 Å²	93	99 Å²	99	65%	0.65	60%	0.602	S	S	*	*			trans	-102.9	97	168.6	-175.6	0	0	0	0	109.6
141	H	34.5	Very low	39.1	Very low	130 Å²	130	97.3 Å²	97.3	60%	0.602	59%	0.589	S	S	*	*			trans	169	81.6	139.7	-89.2	-66.9	0	0	0	111	V143	H141-V143 VanDerWaalsContact C-N 3.31Å; H141-V143 PolarHBondContact O-N 3.45Å
142	C	30.4	Very low	38.3	Very low	130 Å²	130	99.3 Å²	99.3	88%	0.878	59%	0.59	S	S	*	*				-65.6	105.3	124.2	-172.5	0	0	0	0	104.5
143	V	28	Very low	37.4	Very low	95 Å²	95	98 Å²	98	58%	0.576	59%	0.592	S	S	*	*	S	Bend	trans	157.5	105.5	162.4	162.4	0	0	0	0	109.6	H141	H141-V143 VanDerWaalsContact C-N 3.31Å; H141-V143 PolarHBondContact O-N 3.45Å
144	T	29	Very low	37.2	Very low	113 Å²	113	97 Å²	97	69%	0.693	60%	0.603	S	S	*	*			trans	59.2	130.7	154.3	57.2	0	0	0	0	121.3	T146	T144-T146 PolarHBondContact O-N 3.35Å
145	A	31.1	Very low	37.4	Very low	96 Å²	96	95.3 Å²	95.3	79%	0.793	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	27.6	-175.1	0	0	0	0	0	116.8
146	T	32.3	Very low	38.6	Very low	129 Å²	129	100.1 Å²	100.1	79%	0.791	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	2.7	-170.2	-18.2	0	0	0	0	114.5	T144	T144-T146 PolarHBondContact O-N 3.35Å
147	A	32.3	Very low	40.5	Very low	57 Å²	57	101 Å²	101	47%	0.471	60%	0.602	S	S	.	*			trans	-109.4	17.8	-179.7	0	0	0	0	0	114.8	K149	A147-K149 VanDerWaalsContact C-N 3.28Å; A147-K149 PolarHBondContact O-N 2.88Å
148	L	36.6	Very low	42.8	Very low	125 Å²	125	95.5 Å²	95.5	65%	0.654	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	5.2	-175	-100.7	155.5	0	0	0	115.6	Y152	L148-Y152 HydrophobicContact CD2-CE2 4.16Å
149	K	30.3	Very low	45.2	Very low	222 Å²	222	95.5 Å²	95.5	97%	0.965	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	5.2	-173.5	-78.5	-172.9	175.3	-179.1	0	116.3	A147	A147-K149 VanDerWaalsContact C-N 3.28Å; A147-K149 PolarHBondContact O-N 2.88Å
150	G	31.1	Very low	47.8	Very low	63 Å²	63	92.8 Å²	92.8	65%	0.649	55%	0.55	S	S	*	.	S	Bend	trans	-145.8	12.4	-178.6	0	0	0	0	0	117.8
151	F	34.2	Very low	50.7	Low	105 Å²	105	90.1 Å²	90.1	46%	0.461	53%	0.528	S	S	.	.			trans	-116.5	20.1	-157.6	-100	-100.9	0	0	0	117.3	N137	N137-F151 HydrophobicContact CB-CD1 3.88Å; N137-F151 HydrophobicContact CB-CE1 3.62Å; N137-F151 WeakPolarHBondContact ND2-CE1 3.33Å
152	Y	44	Very low	53.6	Low	144 Å²	144	84 Å²	84	57%	0.565	50%	0.499	S	S	*	.			trans	-135.7	36.6	-175.3	-73	-66.6	0	0	0	114.7	L148 R206	L148-Y152 HydrophobicContact CD2-CE2 4.16Å; Y152-R206 PolarHBondContact O-NH2 2.88Å
153	S	37.5	Very low	56.7	Low	116 Å²	116	79.1 Å²	79.1	81%	0.811	47%	0.465	S	S	*	.	S	Bend	trans	-106	109.1	166.1	63.4	0	0	0	0	110.2
154	G	47.4	Very low	59.7	Low	62 Å²	62	77.2 Å²	77.2	64%	0.639	46%	0.464	S	S	*	.			trans	79	60.6	165.7	0	0	0	0	0	116.3
155	T	54.8	Low	62.8	Low	42 Å²	42	77.4 Å²	77.4	26%	0.258	46%	0.461	S	S	.	.			trans	-84.5	111.6	162.2	49.1	0	0	0	0	108.1	Y157	T155-Y157 PolarHBondContact O-N 2.83Å
156	D	75.4	Confident	65.7	Low	112 Å²	112	75.5 Å²	75.5	60%	0.599	44%	0.435	S	S	*	.	S	Bend	trans	-61.3	12.4	177.3	-66.6	-33.1	0	0	0	114.2	Q171 E172	D156-Q171 CarbonylContact O-C 3.5Å; D156-Q171 VanDerWaalsContact O-CA 3.28Å; D156-Q171 WeakPolarHBondContact O-CA 3.33Å; D156-E172 PolarHBondContact O-N 3.03Å
157	Y	84.3	Confident	68.6	Low	56 Å²	56	70.1 Å²	70.1	22%	0.22	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.7	-171.7	-64	-97.7	0	0	0	110.9	I135 T155 V170 Q171	I135-Y157 HydrophobicContact CG2-CD1 3.48Å; I135-Y157 VanDerWaalsContact CG2-CD1 3.48Å; I135-Y157 HydrophobicContact CG2-CD2 3.35Å; I135-Y157 HydrophobicContact CG2-CE1 3.62Å; I135-Y157 HydrophobicContact CG2-CE2 3.55Å; I135-Y157 HydrophobicContact CG2-CG 3.35Å; T155-Y157 PolarHBondContact O-N 2.83Å; Y157-V170 CarbonylContact C-O 3.56Å; Y157-V170 WeakPolarHBondContact CA-O 3.48Å; Y157-Q171 HydrophobicContact CD1-CB 4.44Å; Y157-Q171 HydrophobicContact CD1-CG 3.74Å; Y157-Q171 HydrophobicContact CE1-CB 4.32Å; Y157-Q171 HydrophobicContact CE1-CG 3.19Å; Y157-Q171 HydrophobicContact CE2-CG 4.45Å; Y157-Q171 PolarHBondContact OH-NE2 2.99Å
158	Y	90.1	Very high	71.4	Confident	10 Å²	10	67.4 Å²	67.4	4%	0.039	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.9	164.9	-67.9	-77.7	0	0	0	109.8	Y169 V170 E172 A175 F200 N203 P211	Y158-Y169 WeakPolarHBondContact O-CA 3.5Å; Y158-V170 PolarHBondContact N-O 2.75Å; Y158-V170 PolarHBondContact O-N 3.02Å; Y158-E172 HydrophobicContact CD2-CB 4.24Å; Y158-E172 HydrophobicContact CE2-CB 3.81Å; Y158-E172 HydrophobicContact CE2-CG 3.71Å; Y158-E172 PolarHBondContact OH-OE1 2.93Å; Y158-A175 HydrophobicContact CD2-CB 3.63Å; Y158-A175 HydrophobicContact CE2-CB 3.97Å; Y158-F200 HydrophobicContact CD1-CE2 4.32Å; Y158-F200 AromaticContact CD2-CE2 3.88Å; Y158-F200 HydrophobicContact CD2-CE2 3.88Å; Y158-F200 HydrophobicContact CD2-CZ 4.24Å; Y158-F200 HydrophobicContact CE1-CE2 4.36Å; Y158-F200 AromaticContact CE2-CE2 3.92Å; Y158-F200 HydrophobicContact CE2-CE2 3.92Å; Y158-F200 AromaticContact CE2-CZ 3.83Å; Y158-F200 HydrophobicContact CE2-CZ 3.83Å; Y158-F200 HydrophobicContact CG-CE2 4.09Å; Y158-N203 HydrophobicContact CE1-CB 4.5Å; Y158-N203 WeakPolarHBondContact OH-CB 3.33Å; Y158-N203 PolarHBondContact OH-N 3.05Å; Y158-N203 PolarHBondContact OH-ND2 2.99Å; Y158-N203 VanDerWaalsContact OH-ND2 3.15Å; Y158-P211 HydrophobicContact CD1-CB 4.04Å; Y158-P211 HydrophobicContact CE1-CB 3.78Å
159	H	91.7	Very high	74	Confident	49 Å²	49	62 Å²	62	23%	0.227	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.2	167.6	-67.3	-88.4	0	0	0	109.7	L161 H166 Y169 A212 L213	H159-L161 HydrophobicContact CB-CD1 3.99Å; H159-H166 AromaticContact CG-NE2 3.69Å; H159-H166 AromaticContact ND1-CD2 3.85Å; H159-H166 AromaticContact ND1-CE1 3.4Å; H159-H166 PolarHBondContact ND1-CE1 3.13Å; H159-H166 AromaticContact ND1-NE2 2.93Å; H159-H166 PolarHBondContact ND1-NE2 3.15Å; H159-Y169 AromaticContact CE1-CE1 3.44Å; H159-Y169 VanDerWaalsContact CE1-CE1 3.44Å; H159-Y169 WeakPolarHBondContact CE1-CE1 3.19Å; H159-Y169 AromaticContact ND1-CE1 3.41Å; H159-Y169 WeakPolarHBondContact ND1-CE1 3.45Å; H159-A212 HydrophobicContact CB-CB 4.09Å; H159-A212 WeakPolarHBondContact O-CA 3.39Å; H159-A212 WeakPolarHBondContact O-CB 3.47Å; H159-L213 PolarHBondContact O-N 3.34Å
160	V	94.8	Very high	76.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.6	174.3	-172.5	0	0	0	0	108.8	L117 M122 H166 V167 G168 V170 L213 I215	L117-V160 HydrophobicContact CD1-CG1 4.05Å; M122-V160 HydrophobicContact CG-CB 4.48Å; M122-V160 HydrophobicContact CG-CG2 4.13Å; M122-V160 HydrophobicContact SD-CB 3.8Å; M122-V160 HydrophobicContact SD-CG1 3.7Å; M122-V160 HydrophobicContact SD-CG2 4.06Å; V160-H166 PolarHBondContact O-CD2 2.82Å; V160-V167 HydrophobicContact CB-CG2 4.11Å; V160-V167 HydrophobicContact CG1-CG2 3.84Å; V160-V167 WeakPolarHBondContact O-CG2 3.29Å; V160-V167 PolarHBondContact O-N 2.85Å; V160-G168 PolarHBondContact N-O 2.93Å; V160-V170 HydrophobicContact CG2-CB 4.04Å; V160-V170 HydrophobicContact CG2-CG1 3.84Å; V160-L213 WeakPolarHBondContact CA-O 3.49Å; V160-L213 HydrophobicContact CG1-CB 4.48Å; V160-L213 HydrophobicContact CG1-CD2 4.18Å; V160-L213 HydrophobicContact CG1-CG 4.36Å; V160-L213 HydrophobicContact CG2-CB 4.33Å; V160-L213 HydrophobicContact CG2-CD2 4.34Å; V160-I215 HydrophobicContact CG1-CD1 4.45Å
161	L	95.7	Very high	79.6	Confident	36 Å²	36	51.8 Å²	51.8	19%	0.188	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.3	177.7	-65.5	90.1	0	0	0	109.7	H159 D165 H166 A212 L213 Y214 I215	H159-L161 HydrophobicContact CB-CD1 3.99Å; L161-D165 CarbonylContact C-O 3.11Å; L161-D165 VanDerWaalsContact CA-O 3.22Å; L161-D165 WeakPolarHBondContact CA-O 3.2Å; L161-H166 HydrophobicContact CG-CB 4.42Å; L161-A212 HydrophobicContact CD1-CB 3.9Å; L161-L213 PolarHBondContact N-O 2.85Å; L161-Y214 HydrophobicContact CB-CD1 4.09Å; L161-Y214 HydrophobicContact CD1-CD1 4.1Å; L161-Y214 HydrophobicContact CD1-CE1 3.91Å; L161-Y214 HydrophobicContact CD2-CD1 4.4Å; L161-Y214 HydrophobicContact CD2-CE1 4.21Å; L161-Y214 HydrophobicContact CG-CD1 4.43Å; L161-Y214 HydrophobicContact CG-CE1 4.48Å; L161-I215 PolarHBondContact O-N 3.39Å
162	V	95.6	Very high	82.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.9	175.2	-175.9	0	0	0	0	108.3	T110 V113 I114 L117 G164 D165 V167 I215 T217	T110-V162 HydrophobicContact CG2-CG1 3.72Å; V113-V162 HydrophobicContact CG1-CG1 4.4Å; V113-V162 HydrophobicContact CG1-CG2 4.48Å; I114-V162 HydrophobicContact CG1-CB 4.48Å; I114-V162 HydrophobicContact CG1-CG1 4.48Å; I114-V162 HydrophobicContact CG1-CG2 4.22Å; L117-V162 HydrophobicContact CD1-CG2 3.85Å; V162-G164 PolarHBondContact O-N 3.09Å; V162-G164 VanDerWaalsContact O-N 3.11Å; V162-D165 PolarHBondContact N-O 3.44Å; V162-D165 WeakPolarHBondContact O-CB 3.3Å; V162-D165 PolarHBondContact O-N 3.12Å; V162-V167 HydrophobicContact CB-CG1 4.16Å; V162-V167 HydrophobicContact CB-CG2 4.42Å; V162-V167 HydrophobicContact CG2-CG1 4.2Å; V162-V167 HydrophobicContact CG2-CG2 3.65Å; V162-I215 CarbonylContact C-O 3.57Å; V162-I215 VanDerWaalsContact CA-O 3.31Å; V162-I215 WeakPolarHBondContact CA-O 3.39Å; V162-I215 HydrophobicContact CG2-CB 4.25Å; V162-I215 HydrophobicContact CG2-CD1 4.45Å; V162-T217 HydrophobicContact CG1-CG2 4.47Å
163	D	94.1	Very high	84.2	Confident	29 Å²	29	48.3 Å²	48.3	16%	0.155	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	31.3	-178	-63.6	-45.8	0	0	0	114	T110 D165 I215 F216 T217 D218	T110-D163 PolarHBondContact OG1-OD2 3.02Å; D163-D165 VanDerWaalsContact C-N 3.33Å; D163-I215 PolarHBondContact N-O 2.77Å; D163-F216 WeakPolarHBondContact OD1-CA 3.36Å; D163-T217 PolarHBondContact OD1-N 3.11Å; D163-T217 PolarHBondContact OD2-OG1 3.36Å; D163-D218 PolarHBondContact OD1-N 3.26Å; D163-D218 VanDerWaalsContact OD1-N 3.15Å
164	G	91.9	Very high	86.7	Confident	54 Å²	54	49.1 Å²	49.1	56%	0.557	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-12.8	-177.7	0	0	0	0	0	114.8	V162	V162-G164 PolarHBondContact O-N 3.09Å; V162-G164 VanDerWaalsContact O-N 3.11Å
165	D	93.8	Very high	88.9	Confident	117 Å²	117	46.1 Å²	46.1	63%	0.626	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	129.3	175.2	-72.7	-29.4	0	0	0	110.7	L161 V162 D163 V167	L161-D165 CarbonylContact C-O 3.11Å; L161-D165 VanDerWaalsContact CA-O 3.22Å; L161-D165 WeakPolarHBondContact CA-O 3.2Å; V162-D165 PolarHBondContact N-O 3.44Å; V162-D165 WeakPolarHBondContact O-CB 3.3Å; V162-D165 PolarHBondContact O-N 3.12Å; D163-D165 VanDerWaalsContact C-N 3.33Å; D165-V167 PolarHBondContact O-N 2.87Å
166	H	92.5	Very high	90.6	Very high	57 Å²	57	50.8 Å²	50.8	26%	0.264	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108.2	175	-177.7	-131.5	0	0	0	109.7	I125 H159 V160 L161 G168 Y169	I125-H166 HydrophobicContact CD1-CB 4.32Å; I125-H166 WeakPolarHBondContact CD1-ND1 3.49Å; I125-H166 VanDerWaalsContact CD1-O 3.32Å; I125-H166 WeakPolarHBondContact CD1-O 3.41Å; H159-H166 AromaticContact CG-NE2 3.69Å; H159-H166 AromaticContact ND1-CD2 3.85Å; H159-H166 AromaticContact ND1-CE1 3.4Å; H159-H166 PolarHBondContact ND1-CE1 3.13Å; H159-H166 AromaticContact ND1-NE2 2.93Å; H159-H166 PolarHBondContact ND1-NE2 3.15Å; V160-H166 PolarHBondContact O-CD2 2.82Å; L161-H166 HydrophobicContact CG-CB 4.42Å; H166-G168 PolarHBondContact NE2-O 3.44Å; H166-Y169 AromaticContact CE1-CZ 3.61Å
167	V	92.7	Very high	91.4	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.097	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-20.4	-170.2	-66.3	0	0	0	0	113.7	I114 M122 I125 V160 V162 D165	I114-V167 HydrophobicContact CD1-CG1 3.92Å; I114-V167 HydrophobicContact CG1-CG1 4.19Å; M122-V167 HydrophobicContact CE-CB 4.39Å; M122-V167 HydrophobicContact CE-CG2 4.08Å; M122-V167 HydrophobicContact SD-CG2 3.74Å; I125-V167 WeakPolarHBondContact CB-O 3.41Å; I125-V167 WeakPolarHBondContact CG2-O 3.26Å; I125-V167 PolarHBondContact N-O 2.95Å; V160-V167 HydrophobicContact CB-CG2 4.11Å; V160-V167 HydrophobicContact CG1-CG2 3.84Å; V160-V167 WeakPolarHBondContact O-CG2 3.29Å; V160-V167 PolarHBondContact O-N 2.85Å; V162-V167 HydrophobicContact CB-CG1 4.16Å; V162-V167 HydrophobicContact CB-CG2 4.42Å; V162-V167 HydrophobicContact CG2-CG1 4.2Å; V162-V167 HydrophobicContact CG2-CG2 3.65Å; D165-V167 PolarHBondContact O-N 2.87Å
168	G	91.7	Very high	91.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-166.1	-176.5	0	0	0	0	0	114.8	T123 V160 H166	T123-G168 CarbonylContact O-C 3.5Å; T123-G168 WeakPolarHBondContact O-CA 3.39Å; V160-G168 PolarHBondContact N-O 2.93Å; H166-G168 PolarHBondContact NE2-O 3.44Å
169	Y	90.4	Very high	92.2	Very high	11 Å²	11	46.8 Å²	46.8	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.5	-179.7	-59.2	-90.3	0	0	0	110.4	T123 C128 I135 I139 Y158 H159 H166	T123-Y169 PolarHBondContact N-O 3.04Å; T123-Y169 PolarHBondContact O-N 3.32Å; C128-Y169 HydrophobicContact CB-CE2 4.41Å; I135-Y169 HydrophobicContact CD1-CD2 3.97Å; I135-Y169 HydrophobicContact CD1-CG 4.39Å; I135-Y169 HydrophobicContact CG2-CG 4.31Å; I139-Y169 HydrophobicContact CD1-CE2 4.16Å; Y158-Y169 WeakPolarHBondContact O-CA 3.5Å; H159-Y169 AromaticContact CE1-CE1 3.44Å; H159-Y169 VanDerWaalsContact CE1-CE1 3.44Å; H159-Y169 WeakPolarHBondContact CE1-CE1 3.19Å; H159-Y169 AromaticContact ND1-CE1 3.41Å; H159-Y169 WeakPolarHBondContact ND1-CE1 3.45Å; H166-Y169 AromaticContact CE1-CZ 3.61Å
170	V	91.1	Very high	92.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.6	168.9	63.4	0	0	0	0	109.2	Y157 Y158 V160 R174 A175 M178	Y157-V170 CarbonylContact C-O 3.56Å; Y157-V170 WeakPolarHBondContact CA-O 3.48Å; Y158-V170 PolarHBondContact N-O 2.75Å; Y158-V170 PolarHBondContact O-N 3.02Å; V160-V170 HydrophobicContact CG2-CB 4.04Å; V160-V170 HydrophobicContact CG2-CG1 3.84Å; V170-R174 HydrophobicContact CG2-CB 4.27Å; V170-A175 HydrophobicContact CG1-CB 4.11Å; V170-A175 HydrophobicContact CG2-CB 4.5Å; V170-M178 HydrophobicContact CB-CE 4.05Å; V170-M178 HydrophobicContact CB-SD 4.07Å; V170-M178 HydrophobicContact CG2-CE 3.33Å; V170-M178 HydrophobicContact CG2-SD 3.73Å
171	Q	87.9	Confident	92.2	Very high	71 Å²	71	51 Å²	51	33%	0.332	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140	174.2	-75.8	179	-10.6	0	0	110.7	D156 Y157 A173 R174 A175	D156-Q171 CarbonylContact O-C 3.5Å; D156-Q171 VanDerWaalsContact O-CA 3.28Å; D156-Q171 WeakPolarHBondContact O-CA 3.33Å; Y157-Q171 HydrophobicContact CD1-CB 4.44Å; Y157-Q171 HydrophobicContact CD1-CG 3.74Å; Y157-Q171 HydrophobicContact CE1-CB 4.32Å; Y157-Q171 HydrophobicContact CE1-CG 3.19Å; Y157-Q171 HydrophobicContact CE2-CG 4.45Å; Y157-Q171 PolarHBondContact OH-NE2 2.99Å; Q171-A173 PolarHBondContact O-N 2.8Å; Q171-R174 HydrophobicContact CB-CB 4.5Å; Q171-R174 HydrophobicContact CB-CG 4.49Å; Q171-R174 PolarHBondContact O-N 2.88Å; Q171-A175 PolarHBondContact O-N 2.69Å; Q171-A175 VanDerWaalsContact O-N 3.08Å
172	E	87.3	Confident	92.2	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-53.8	-42.9	179.6	171.9	154.1	-136.3	0	0	111.5	D156 Y158 R174 A175 N203	D156-E172 PolarHBondContact O-N 3.03Å; Y158-E172 HydrophobicContact CD2-CB 4.24Å; Y158-E172 HydrophobicContact CE2-CB 3.81Å; Y158-E172 HydrophobicContact CE2-CG 3.71Å; Y158-E172 PolarHBondContact OH-OE1 2.93Å; E172-R174 PolarHBondContact O-N 2.84Å; E172-R174 VanDerWaalsContact O-N 3.15Å; E172-A175 PolarHBondContact O-N 2.84Å; E172-N203 PolarHBondContact OE1-ND2 2.87Å
173	A	88.1	Confident	92.1	Very high	101 Å²	101	50.1 Å²	50.1	84%	0.835	27%	0.269	S	S	*	.	H	α-helix	trans	-64.6	-16.6	177.5	0	0	0	0	0	114.9	Q171	Q171-A173 PolarHBondContact O-N 2.8Å
174	R	90.3	Very high	92.1	Very high	132 Å²	132	51.3 Å²	51.3	50%	0.498	28%	0.283	S	S	.	.	H	α-helix	trans	-110.9	-6.7	-179.2	-65.3	-174.9	178.5	-176.7	-0.7	113.3	V170 Q171 E172 E176 D177 M178	V170-R174 HydrophobicContact CG2-CB 4.27Å; Q171-R174 HydrophobicContact CB-CB 4.5Å; Q171-R174 HydrophobicContact CB-CG 4.49Å; Q171-R174 PolarHBondContact O-N 2.88Å; E172-R174 PolarHBondContact O-N 2.84Å; E172-R174 VanDerWaalsContact O-N 3.15Å; R174-E176 PolarHBondContact O-N 3.15Å; R174-D177 PolarHBondContact O-N 3.02Å; R174-M178 WeakPolarHBondContact O-CB 3.44Å; R174-M178 PolarHBondContact O-N 2.85Å
175	A	91.6	Very high	92.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-43.3	-171.7	0	0	0	0	0	112.1	Y158 V170 Q171 E172 M178 V179 F200	Y158-A175 HydrophobicContact CD2-CB 3.63Å; Y158-A175 HydrophobicContact CE2-CB 3.97Å; V170-A175 HydrophobicContact CG1-CB 4.11Å; V170-A175 HydrophobicContact CG2-CB 4.5Å; Q171-A175 PolarHBondContact O-N 2.69Å; Q171-A175 VanDerWaalsContact O-N 3.08Å; E172-A175 PolarHBondContact O-N 2.84Å; A175-M178 PolarHBondContact O-N 2.96Å; A175-V179 VanDerWaalsContact O-CG2 3.3Å; A175-V179 WeakPolarHBondContact O-CG2 3.32Å; A175-V179 PolarHBondContact O-N 2.93Å; A175-F200 HydrophobicContact CB-CE2 3.64Å; A175-F200 HydrophobicContact CB-CZ 3.63Å
176	E	91.1	Very high	92.2	Very high	139 Å²	139	46.5 Å²	46.5	65%	0.65	24%	0.24	S	C	*	.	H	α-helix	trans	-64.9	-45.4	178.1	-68.1	-172.3	175.3	0	0	112.4	R174 M178 V179 D180 F200	R174-E176 PolarHBondContact O-N 3.15Å; E176-M178 VanDerWaalsContact C-N 3.28Å; E176-M178 PolarHBondContact O-N 3.37Å; E176-V179 WeakPolarHBondContact O-CB 3.4Å; E176-V179 PolarHBondContact O-N 3.4Å; E176-V179 VanDerWaalsContact O-N 3.15Å; E176-D180 PolarHBondContact O-N 2.6Å; E176-F200 HydrophobicContact CG-CE1 3.99Å
177	D	93.4	Very high	92.2	Very high	81 Å²	81	44.8 Å²	44.8	43%	0.433	23%	0.232	S	C	.	.	H	α-helix	trans	-59.5	-39.6	175.6	175.2	64.1	0	0	0	111.7	R174 D180 K181	R174-D177 PolarHBondContact O-N 3.02Å; D177-D180 PolarHBondContact O-N 3.29Å; D177-K181 WeakPolarHBondContact O-CB 3.41Å; D177-K181 VanDerWaalsContact O-CG 3.29Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 2.93Å; D177-K181 WeakPolarHBondContact OD1-CE 3.44Å; D177-K181 IonicContact OD1-NZ 3.75Å; D177-K181 WeakPolarHBondContact OD2-CE 3.41Å; D177-K181 IonicContact OD2-NZ 3.57Å; D177-K181 PolarHBondContact OD2-NZ 3Å
178	M	94.4	Very high	92.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-42.5	175.5	-172.3	171.6	-65.2	0	0	112.3	L117 N120 M122 V170 R174 A175 E176 K181 L182 L213	L117-M178 HydrophobicContact CD2-CG 4.14Å; L117-M178 HydrophobicContact CD2-SD 3.72Å; N120-M178 WeakPolarHBondContact O-CE 3.38Å; M122-M178 HydrophobicContact CB-CE 4.21Å; V170-M178 HydrophobicContact CB-CE 4.05Å; V170-M178 HydrophobicContact CB-SD 4.07Å; V170-M178 HydrophobicContact CG2-CE 3.33Å; V170-M178 HydrophobicContact CG2-SD 3.73Å; R174-M178 WeakPolarHBondContact O-CB 3.44Å; R174-M178 PolarHBondContact O-N 2.85Å; A175-M178 PolarHBondContact O-N 2.96Å; E176-M178 VanDerWaalsContact C-N 3.28Å; E176-M178 PolarHBondContact O-N 3.37Å; M178-K181 PolarHBondContact O-N 2.73Å; M178-L182 HydrophobicContact CG-CD1 4.44Å; M178-L182 WeakPolarHBondContact O-CG 3.44Å; M178-L182 PolarHBondContact O-N 3.46Å; M178-L213 HydrophobicContact SD-CD2 4.18Å
179	V	95.2	Very high	91.8	Very high	11 Å²	11	55.1 Å²	55.1	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-44.1	175.9	170.6	0	0	0	0	110.8	A175 E176 K181 L182 R183 I198 F200 L213	A175-V179 VanDerWaalsContact O-CG2 3.3Å; A175-V179 WeakPolarHBondContact O-CG2 3.32Å; A175-V179 PolarHBondContact O-N 2.93Å; E176-V179 WeakPolarHBondContact O-CB 3.4Å; E176-V179 PolarHBondContact O-N 3.4Å; E176-V179 VanDerWaalsContact O-N 3.15Å; V179-K181 PolarHBondContact O-N 2.99Å; V179-L182 PolarHBondContact O-N 2.79Å; V179-R183 WeakPolarHBondContact O-CG 2.91Å; V179-R183 PolarHBondContact O-N 3.3Å; V179-I198 HydrophobicContact CG1-CG2 4.12Å; V179-I198 HydrophobicContact CG2-CG2 4.44Å; V179-F200 HydrophobicContact CG2-CB 3.62Å; V179-F200 HydrophobicContact CG2-CD1 4.2Å; V179-F200 HydrophobicContact CG2-CD2 4.25Å; V179-F200 HydrophobicContact CG2-CG 3.77Å; V179-L213 HydrophobicContact CG2-CD1 3.87Å
180	D	93	Very high	91.7	Very high	62 Å²	62	58.3 Å²	58.3	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-41.2	178.6	-80.3	-26.4	0	0	0	112.3	E176 D177 R183 A184 R230	E176-D180 PolarHBondContact O-N 2.6Å; D177-D180 PolarHBondContact O-N 3.29Å; D180-R183 PolarHBondContact O-N 2.92Å; D180-A184 WeakPolarHBondContact O-CB 3.35Å; D180-A184 PolarHBondContact O-N 3.34Å; D180-R230 IonicContact OD1-CZ 2.69Å; D180-R230 IonicContact OD1-NH1 3.72Å; D180-R230 PolarHBondContact OD1-NH1 3.11Å; D180-R230 IonicContact OD2-NH1 2.68Å; D180-R230 PolarHBondContact OD2-NH1 3.04Å
181	K	94.5	Very high	91.5	Very high	75 Å²	75	63.9 Å²	63.9	33%	0.326	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-41.7	174.4	-73.9	167.9	174.3	170.9	0	112.5	F116 N120 D177 M178 V179 A184 R185	F116-K181 HydrophobicContact CE1-CB 4.34Å; F116-K181 HydrophobicContact CZ-CB 4.14Å; N120-K181 WeakPolarHBondContact OD1-CD 3.22Å; D177-K181 WeakPolarHBondContact O-CB 3.41Å; D177-K181 VanDerWaalsContact O-CG 3.29Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 2.93Å; D177-K181 WeakPolarHBondContact OD1-CE 3.44Å; D177-K181 IonicContact OD1-NZ 3.75Å; D177-K181 WeakPolarHBondContact OD2-CE 3.41Å; D177-K181 IonicContact OD2-NZ 3.57Å; D177-K181 PolarHBondContact OD2-NZ 3Å; M178-K181 PolarHBondContact O-N 2.73Å; V179-K181 PolarHBondContact O-N 2.99Å; K181-A184 PolarHBondContact O-N 3.23Å; K181-R185 WeakPolarHBondContact O-CB 3.49Å; K181-R185 PolarHBondContact O-N 3.46Å
182	L	95.4	Very high	91.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.8	174.3	-75.2	165.1	0	0	0	111.2	F116 L117 M178 V179 R185 K186 F193 I198 L213 I215	F116-L182 HydrophobicContact CD1-CD2 3.52Å; F116-L182 HydrophobicContact CD1-CG 4.27Å; F116-L182 HydrophobicContact CE1-CD2 3.64Å; F116-L182 HydrophobicContact CE1-CG 3.95Å; L117-L182 HydrophobicContact CD2-CD1 3.89Å; L117-L182 HydrophobicContact CD2-CD2 4.23Å; L117-L182 HydrophobicContact CD2-CG 4.42Å; M178-L182 HydrophobicContact CG-CD1 4.44Å; M178-L182 WeakPolarHBondContact O-CG 3.44Å; M178-L182 PolarHBondContact O-N 3.46Å; V179-L182 PolarHBondContact O-N 2.79Å; L182-R185 WeakPolarHBondContact O-CB 3.32Å; L182-R185 PolarHBondContact O-N 3.33Å; L182-K186 WeakPolarHBondContact O-CG 3.49Å; L182-K186 PolarHBondContact O-N 2.91Å; L182-K186 VanDerWaalsContact O-N 3.13Å; L182-F193 HydrophobicContact CD2-CE2 4.21Å; L182-I198 HydrophobicContact CB-CD1 3.51Å; L182-I198 HydrophobicContact CB-CG1 4.27Å; L182-I198 HydrophobicContact CD1-CG2 4.31Å; L182-L213 HydrophobicContact CD1-CD2 4.42Å; L182-I215 HydrophobicContact CD1-CD1 3.87Å
183	R	94.5	Very high	92	Very high	19 Å²	19	59.9 Å²	59.9	7%	0.072	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-43.8	176.8	-72.7	-175.4	-177.8	-70.1	-14.5	112	V179 D180 R185 K186 I198 E238 E244	V179-R183 WeakPolarHBondContact O-CG 2.91Å; V179-R183 PolarHBondContact O-N 3.3Å; D180-R183 PolarHBondContact O-N 2.92Å; R183-R185 VanDerWaalsContact C-N 3.29Å; R183-R185 PolarHBondContact O-N 3.11Å; R183-K186 WeakPolarHBondContact O-CB 3.12Å; R183-K186 PolarHBondContact O-N 3.41Å; R183-K186 VanDerWaalsContact O-N 3.12Å; R183-I198 HydrophobicContact CG-CD1 3.77Å; R183-I198 PolarHBondContact NH2-O 2.95Å; R183-E238 IonicContact CZ-OE1 3.27Å; R183-E238 IonicContact NH1-OE1 2.73Å; R183-E238 PolarHBondContact NH1-OE1 3.27Å; R183-E238 IonicContact NH1-OE2 3.57Å; R183-E244 IonicContact CZ-OE1 3.88Å; R183-E244 IonicContact NH1-OE1 3.43Å; R183-E244 PolarHBondContact NH1-OE1 3.32Å; R183-E244 IonicContact NH2-OE1 2.94Å; R183-E244 PolarHBondContact NH2-OE1 2.99Å
184	A	92.9	Very high	92.2	Very high	55 Å²	55	58.7 Å²	58.7	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-42.6	174.1	0	0	0	0	0	111.4	D180 K181 K186 L187	D180-A184 WeakPolarHBondContact O-CB 3.35Å; D180-A184 PolarHBondContact O-N 3.34Å; K181-A184 PolarHBondContact O-N 3.23Å; A184-K186 VanDerWaalsContact C-N 3.26Å; A184-K186 PolarHBondContact O-N 2.88Å; A184-L187 WeakPolarHBondContact O-CB 3.46Å; A184-L187 PolarHBondContact O-N 3.45Å
185	R	93.9	Very high	92.4	Very high	61 Å²	61	53.4 Å²	53.4	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-30.1	176.9	-165.6	70.7	-177.8	96.7	9.9	113	F116 K181 L182 R183 L187 D188 D190 F193	F116-R185 HydrophobicContact CD2-CG 4.36Å; F116-R185 HydrophobicContact CE2-CB 4.26Å; F116-R185 HydrophobicContact CE2-CG 4.05Å; F116-R185 HydrophobicContact CZ-CB 4.11Å; F116-R185 HydrophobicContact CZ-CG 4.38Å; K181-R185 WeakPolarHBondContact O-CB 3.49Å; K181-R185 PolarHBondContact O-N 3.46Å; L182-R185 WeakPolarHBondContact O-CB 3.32Å; L182-R185 PolarHBondContact O-N 3.33Å; R183-R185 VanDerWaalsContact C-N 3.29Å; R183-R185 PolarHBondContact O-N 3.11Å; R185-L187 PolarHBondContact O-N 3.4Å; R185-D188 VanDerWaalsContact CD-OD2 3.28Å; R185-D188 WeakPolarHBondContact CD-OD2 3.44Å; R185-D188 IonicContact CZ-OD2 2.7Å; R185-D188 IonicContact NE-OD2 3.44Å; R185-D188 VanDerWaalsContact NH1-CB 3.32Å; R185-D188 IonicContact NH1-OD2 2.88Å; R185-D188 PolarHBondContact NH1-OD2 3.31Å; R185-D188 PolarHBondContact O-N 2.79Å; R185-D190 IonicContact CZ-OD1 2.93Å; R185-D190 IonicContact CZ-OD2 3.07Å; R185-D190 IonicContact NH1-OD1 3.84Å; R185-D190 PolarHBondContact NH1-OD1 3.49Å; R185-D190 IonicContact NH1-OD2 3.62Å; R185-D190 PolarHBondContact NH1-OD2 3.29Å; R185-D190 IonicContact NH2-OD1 3.14Å; R185-D190 IonicContact NH2-OD2 2.69Å; R185-D190 PolarHBondContact NH2-OD2 3.01Å; R185-F193 HydrophobicContact CB-CD2 3.96Å; R185-F193 HydrophobicContact CB-CE2 4.43Å; R185-F193 HydrophobicContact CB-CG 4.48Å; R185-F193 HydrophobicContact CG-CB 4.3Å; R185-F193 HydrophobicContact CG-CD1 4.33Å; R185-F193 HydrophobicContact CG-CD2 3.52Å; R185-F193 HydrophobicContact CG-CE2 3.8Å; R185-F193 HydrophobicContact CG-CG 3.81Å; R185-F193 HydrophobicContact CG-CZ 4.31Å
186	K	93.5	Very high	92.5	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-26.3	174.5	-64.5	174.3	60.8	-176.7	0	112.8	L182 R183 A184 F193 V196 I198 E238 M239 E244	L182-K186 WeakPolarHBondContact O-CG 3.49Å; L182-K186 PolarHBondContact O-N 2.91Å; L182-K186 VanDerWaalsContact O-N 3.13Å; R183-K186 WeakPolarHBondContact O-CB 3.12Å; R183-K186 PolarHBondContact O-N 3.41Å; R183-K186 VanDerWaalsContact O-N 3.12Å; A184-K186 VanDerWaalsContact C-N 3.26Å; A184-K186 PolarHBondContact O-N 2.88Å; K186-F193 HydrophobicContact CG-CB 4.23Å; K186-F193 WeakPolarHBondContact CG-O 3.47Å; K186-V196 WeakPolarHBondContact CD-O 3.46Å; K186-V196 WeakPolarHBondContact CE-O 3.28Å; K186-V196 PolarHBondContact NZ-O 3.39Å; K186-I198 HydrophobicContact CD-CD1 3.45Å; K186-I198 VanDerWaalsContact CD-CD1 3.45Å; K186-I198 HydrophobicContact CD-CG1 4.23Å; K186-I198 HydrophobicContact CG-CD1 4.24Å; K186-E238 HydrophobicContact CD-CG 4.44Å; K186-E238 WeakPolarHBondContact CE-OE1 3.43Å; K186-E238 IonicContact NZ-OE1 3.64Å; K186-E238 PolarHBondContact NZ-OE1 3.35Å; K186-M239 VanDerWaalsContact CE-O 3.25Å; K186-M239 WeakPolarHBondContact CE-O 3.49Å; K186-M239 PolarHBondContact NZ-O 3.3Å; K186-E244 IonicContact NZ-OE1 2.77Å; K186-E244 IonicContact NZ-OE2 3.82Å
187	L	93.3	Very high	92.8	Very high	21 Å²	21	47.1 Å²	47.1	11%	0.11	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.1	-174.8	-59.2	175.4	0	0	0	113.2	A184 R185 N228 A231 L237 E238	A184-L187 WeakPolarHBondContact O-CB 3.46Å; A184-L187 PolarHBondContact O-N 3.45Å; R185-L187 PolarHBondContact O-N 3.4Å; L187-N228 HydrophobicContact CD1-CB 4.35Å; L187-A231 HydrophobicContact CD1-CB 3.38Å; L187-L237 WeakPolarHBondContact CD2-O 3.18Å; L187-E238 HydrophobicContact CD2-CB 4.05Å
188	D	90.4	Very high	92.9	Very high	71 Å²	71	43.4 Å²	43.4	38%	0.38	21%	0.212	S	C	.	.	S	Bend	trans	-67.7	157.6	179.9	-80.5	-21.1	0	0	0	113.4	R185 D190 K191	R185-D188 VanDerWaalsContact CD-OD2 3.28Å; R185-D188 WeakPolarHBondContact CD-OD2 3.44Å; R185-D188 IonicContact CZ-OD2 2.7Å; R185-D188 IonicContact NE-OD2 3.44Å; R185-D188 VanDerWaalsContact NH1-CB 3.32Å; R185-D188 IonicContact NH1-OD2 2.88Å; R185-D188 PolarHBondContact NH1-OD2 3.31Å; R185-D188 PolarHBondContact O-N 2.79Å; D188-D190 VanDerWaalsContact C-N 3.27Å; D188-D190 WeakPolarHBondContact CB-OD1 3.47Å; D188-D190 PolarHBondContact O-N 2.98Å; D188-K191 PolarHBondContact O-N 3.17Å
189	K	85.7	Confident	93	Very high	161 Å²	161	43.3 Å²	43.3	70%	0.7	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.7	-176.2	-67.7	-173.9	-176.8	-177.8	0	113.8	K191 Y235	K189-K191 PolarHBondContact O-N 3.05Å; K189-Y235 WeakPolarHBondContact CE-OH 3.16Å; K189-Y235 HydrophobicContact CG-CE1 3.95Å
190	D	88.1	Confident	93	Very high	78 Å²	78	44.4 Å²	44.4	42%	0.417	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.8	-179.2	70.7	-23.7	0	0	0	112.6	R185 D188 T192	R185-D190 IonicContact CZ-OD1 2.93Å; R185-D190 IonicContact CZ-OD2 3.07Å; R185-D190 IonicContact NH1-OD1 3.84Å; R185-D190 PolarHBondContact NH1-OD1 3.49Å; R185-D190 IonicContact NH1-OD2 3.62Å; R185-D190 PolarHBondContact NH1-OD2 3.29Å; R185-D190 IonicContact NH2-OD1 3.14Å; R185-D190 IonicContact NH2-OD2 2.69Å; R185-D190 PolarHBondContact NH2-OD2 3.01Å; D188-D190 VanDerWaalsContact C-N 3.27Å; D188-D190 WeakPolarHBondContact CB-OD1 3.47Å; D188-D190 PolarHBondContact O-N 2.98Å; D190-T192 PolarHBondContact O-N 3.26Å; D190-T192 PolarHBondContact OD2-OG1 2.81Å
191	K	87.4	Confident	93	Very high	118 Å²	118	41.4 Å²	41.4	51%	0.513	20%	0.199	S	C	.	.			trans	56.9	11.7	177.4	-62.7	-179.2	179.5	-179.3	0	114.7	D188 K189 F193 R194	D188-K191 PolarHBondContact O-N 3.17Å; K189-K191 PolarHBondContact O-N 3.05Å; K191-F193 PolarHBondContact O-N 3.18Å; K191-F193 VanDerWaalsContact O-N 3.16Å; K191-R194 HydrophobicContact CB-CB 4.16Å; K191-R194 WeakPolarHBondContact O-CB 3.33Å; K191-R194 PolarHBondContact O-N 3.42Å
192	T	91	Very high	92.8	Very high	58 Å²	58	38.7 Å²	38.7	36%	0.356	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.5	-178.2	-49.9	0	0	0	0	111.7	C109 D190	C109-T192 HydrophobicContact CB-CG2 4.27Å; C109-T192 PolarHBondContact SG-O 3.22Å; D190-T192 PolarHBondContact O-N 3.26Å; D190-T192 PolarHBondContact OD2-OG1 2.81Å
193	F	93.5	Very high	92.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.5	-177.4	-77.8	36	0	0	0	112.2	A112 V113 F116 L182 R185 K186 K191 F195 V196	A112-F193 HydrophobicContact CB-CE1 3.95Å; A112-F193 HydrophobicContact CB-CZ 4.47Å; A112-F193 WeakPolarHBondContact O-CZ 3.07Å; V113-F193 HydrophobicContact CB-CZ 4.36Å; V113-F193 HydrophobicContact CG2-CD2 4.31Å; V113-F193 HydrophobicContact CG2-CE1 4.12Å; V113-F193 HydrophobicContact CG2-CE2 3.9Å; V113-F193 HydrophobicContact CG2-CZ 3.81Å; F116-F193 HydrophobicContact CB-CE2 4.09Å; F116-F193 HydrophobicContact CB-CZ 3.87Å; F116-F193 HydrophobicContact CD1-CE2 4.2Å; F116-F193 HydrophobicContact CG-CE2 4.03Å; F116-F193 HydrophobicContact CG-CZ 4.22Å; L182-F193 HydrophobicContact CD2-CE2 4.21Å; R185-F193 HydrophobicContact CB-CD2 3.96Å; R185-F193 HydrophobicContact CB-CE2 4.43Å; R185-F193 HydrophobicContact CB-CG 4.48Å; R185-F193 HydrophobicContact CG-CB 4.3Å; R185-F193 HydrophobicContact CG-CD1 4.33Å; R185-F193 HydrophobicContact CG-CD2 3.52Å; R185-F193 HydrophobicContact CG-CE2 3.8Å; R185-F193 HydrophobicContact CG-CG 3.81Å; R185-F193 HydrophobicContact CG-CZ 4.31Å; K186-F193 HydrophobicContact CG-CB 4.23Å; K186-F193 WeakPolarHBondContact CG-O 3.47Å; K191-F193 PolarHBondContact O-N 3.18Å; K191-F193 VanDerWaalsContact O-N 3.16Å; F193-F195 PolarHBondContact O-N 3.26Å; F193-V196 HydrophobicContact CB-CB 4.46Å; F193-V196 HydrophobicContact CB-CG2 3.97Å; F193-V196 HydrophobicContact CD2-CG2 4.39Å; F193-V196 HydrophobicContact CG-CG2 4.1Å; F193-V196 WeakPolarHBondContact O-CB 3.25Å; F193-V196 WeakPolarHBondContact O-CG2 3.38Å; F193-V196 PolarHBondContact O-N 3.1Å
194	R	92.6	Very high	91.6	Very high	76 Å²	76	46.9 Å²	46.9	29%	0.287	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-40.1	-169.5	179	178.7	-179.2	-160.7	-6.6	113.5	K191 M239	K191-R194 HydrophobicContact CB-CB 4.16Å; K191-R194 WeakPolarHBondContact O-CB 3.33Å; K191-R194 PolarHBondContact O-N 3.42Å; R194-M239 HydrophobicContact CG-CG 4.11Å; R194-M239 WeakPolarHBondContact O-CB 3.41Å
195	F	94.3	Very high	90.9	Very high	21 Å²	21	48.6 Å²	48.6	9%	0.092	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	12.5	-178	-66.3	-66.7	0	0	0	114.3	T104 E106 F193 E197 R221 M223 M239	T104-F195 HydrophobicContact CG2-CB 3.82Å; T104-F195 HydrophobicContact CG2-CD1 3.81Å; T104-F195 HydrophobicContact CG2-CG 3.93Å; E106-F195 HydrophobicContact CB-CD2 4.42Å; E106-F195 VanDerWaalsContact CD-CE2 3.5Å; E106-F195 HydrophobicContact CG-CD2 4.09Å; E106-F195 HydrophobicContact CG-CE2 4.05Å; E106-F195 WeakPolarHBondContact OE1-CE2 3.35Å; E106-F195 WeakPolarHBondContact OE2-CD2 3.45Å; F193-F195 PolarHBondContact O-N 3.26Å; F195-E197 PolarHBondContact O-N 3.01Å; F195-R221 PolarHBondContact O-NH1 2.84Å; F195-R221 VanDerWaalsContact O-NH1 3.07Å; F195-R221 PolarHBondContact O-NH2 3.48Å; F195-M223 HydrophobicContact CD1-CB 4.16Å; F195-M223 HydrophobicContact CD1-CG 4.06Å; F195-M223 HydrophobicContact CE1-CB 4.46Å; F195-M239 HydrophobicContact CD1-CB 4.32Å; F195-M239 HydrophobicContact CD1-CE 4.44Å; F195-M239 HydrophobicContact CD1-CG 4.22Å; F195-M239 HydrophobicContact CE1-CE 3.75Å; F195-M239 HydrophobicContact CE1-CG 4.06Å
196	V	95.5	Very high	89.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.233	C	C	.	.			trans	-69.9	119.3	172.5	178.8	0	0	0	0	108.1	C109 V113 K186 F193 I198 I215 F216 T217	C109-V196 VanDerWaalsContact SG-CG2 3.53Å; V113-V196 HydrophobicContact CG2-CG1 4.37Å; V113-V196 HydrophobicContact CG2-CG2 3.85Å; K186-V196 WeakPolarHBondContact CD-O 3.46Å; K186-V196 WeakPolarHBondContact CE-O 3.28Å; K186-V196 PolarHBondContact NZ-O 3.39Å; F193-V196 HydrophobicContact CB-CB 4.46Å; F193-V196 HydrophobicContact CB-CG2 3.97Å; F193-V196 HydrophobicContact CD2-CG2 4.39Å; F193-V196 HydrophobicContact CG-CG2 4.1Å; F193-V196 WeakPolarHBondContact O-CB 3.25Å; F193-V196 WeakPolarHBondContact O-CG2 3.38Å; F193-V196 PolarHBondContact O-N 3.1Å; V196-I198 HydrophobicContact CG1-CG1 4.2Å; V196-I215 HydrophobicContact CG1-CG2 3.48Å; V196-I215 VanDerWaalsContact CG1-CG2 3.48Å; V196-F216 WeakPolarHBondContact CA-O 3.09Å; V196-T217 HydrophobicContact CG2-CG2 4.26Å
197	E	96.2	Very high	89.1	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.033	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.3	175.9	179.5	179.8	-164.3	0	0	108.3	F195 I215 F216 R221 M223 G241 T242 F243 E244	F195-E197 PolarHBondContact O-N 3.01Å; E197-I215 WeakPolarHBondContact O-CA 3.34Å; E197-F216 HydrophobicContact CB-CB 4.29Å; E197-F216 HydrophobicContact CB-CD2 4.46Å; E197-F216 HydrophobicContact CG-CD2 4.34Å; E197-F216 PolarHBondContact N-O 3.33Å; E197-F216 PolarHBondContact O-N 3.2Å; E197-R221 IonicContact OE2-NH1 3.86Å; E197-M223 HydrophobicContact CB-CE 4.22Å; E197-M223 HydrophobicContact CB-SD 4.29Å; E197-G241 VanDerWaalsContact OE1-C 3.24Å; E197-G241 VanDerWaalsContact OE1-CA 3.26Å; E197-G241 WeakPolarHBondContact OE1-CA 3.33Å; E197-T242 PolarHBondContact OE1-N 3.02Å; E197-F243 PolarHBondContact OE1-N 2.99Å; E197-E244 HydrophobicContact CG-CB 3.74Å; E197-E244 PolarHBondContact OE1-N 3.37Å
198	I	96.8	Very high	88.6	Confident	2 Å²	2	65 Å²	65	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.2	-173.2	-54.5	161.8	0	0	0	108.4	V179 L182 R183 K186 V196 L213 E244	V179-I198 HydrophobicContact CG1-CG2 4.12Å; V179-I198 HydrophobicContact CG2-CG2 4.44Å; L182-I198 HydrophobicContact CB-CD1 3.51Å; L182-I198 HydrophobicContact CB-CG1 4.27Å; L182-I198 HydrophobicContact CD1-CG2 4.31Å; R183-I198 HydrophobicContact CG-CD1 3.77Å; R183-I198 PolarHBondContact NH2-O 2.95Å; K186-I198 HydrophobicContact CD-CD1 3.45Å; K186-I198 VanDerWaalsContact CD-CD1 3.45Å; K186-I198 HydrophobicContact CD-CG1 4.23Å; K186-I198 HydrophobicContact CG-CD1 4.24Å; V196-I198 HydrophobicContact CG1-CG1 4.2Å; I198-L213 HydrophobicContact CG2-CD1 4.08Å; I198-E244 PolarHBondContact N-OE2 3.49Å; I198-E244 VanDerWaalsContact O-CG 3.29Å; I198-E244 WeakPolarHBondContact O-CG 3.48Å
199	C	95.7	Very high	88.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	94.6	-175.3	-54.4	0	0	0	0	109.9	Y214 F243 E244 L247	C199-Y214 WeakPolarHBondContact CB-O 3.26Å; C199-Y214 PolarHBondContact N-O 3.17Å; C199-Y214 PolarHBondContact O-N 3.1Å; C199-F243 HydrophobicContact CB-CD1 3.38Å; C199-F243 HydrophobicContact CB-CE1 3.68Å; C199-F243 HydrophobicContact CB-CG 4.49Å; C199-F243 WeakPolarHBondContact SG-CD1 3.3Å; C199-E244 PolarHBondContact SG-N 3.11Å; C199-E244 VanDerWaalsContact SG-N 3.35Å; C199-L247 HydrophobicContact CB-CD1 4.09Å
200	F	95	Very high	88.6	Confident	34 Å²	34	62.1 Å²	62.1	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.3	177.7	178.6	-126.7	0	0	0	110.8	Y158 A175 E176 V179 L213	Y158-F200 HydrophobicContact CD1-CE2 4.32Å; Y158-F200 AromaticContact CD2-CE2 3.88Å; Y158-F200 HydrophobicContact CD2-CE2 3.88Å; Y158-F200 HydrophobicContact CD2-CZ 4.24Å; Y158-F200 HydrophobicContact CE1-CE2 4.36Å; Y158-F200 AromaticContact CE2-CE2 3.92Å; Y158-F200 HydrophobicContact CE2-CE2 3.92Å; Y158-F200 AromaticContact CE2-CZ 3.83Å; Y158-F200 HydrophobicContact CE2-CZ 3.83Å; Y158-F200 HydrophobicContact CG-CE2 4.09Å; A175-F200 HydrophobicContact CB-CE2 3.64Å; A175-F200 HydrophobicContact CB-CZ 3.63Å; E176-F200 HydrophobicContact CG-CE1 3.99Å; V179-F200 HydrophobicContact CG2-CB 3.62Å; V179-F200 HydrophobicContact CG2-CD1 4.2Å; V179-F200 HydrophobicContact CG2-CD2 4.25Å; V179-F200 HydrophobicContact CG2-CG 3.77Å; F200-L213 HydrophobicContact CB-CD1 4.09Å; F200-L213 HydrophobicContact CD2-CB 4.47Å; F200-L213 HydrophobicContact CD2-CD1 4.4Å
201	V	93.3	Very high	88.7	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	99.5	175.1	-175.9	0	0	0	0	108.1	L209 P211 A212 Y214 F243 L247	V201-L209 HydrophobicContact CG1-CB 3.67Å; V201-L209 HydrophobicContact CG2-CD1 4.45Å; V201-P211 CarbonylContact O-C 3.46Å; V201-P211 WeakPolarHBondContact O-CA 3.29Å; V201-P211 WeakPolarHBondContact O-CB 3.47Å; V201-A212 PolarHBondContact N-O 2.72Å; V201-A212 PolarHBondContact O-N 2.96Å; V201-A212 VanDerWaalsContact O-N 3.13Å; V201-Y214 HydrophobicContact CB-CE2 4.38Å; V201-Y214 HydrophobicContact CG2-CD2 4.05Å; V201-Y214 HydrophobicContact CG2-CE2 3.9Å; V201-F243 HydrophobicContact CG2-CE1 4.31Å; V201-F243 HydrophobicContact CG2-CZ 4.25Å; V201-L247 HydrophobicContact CG2-CD1 3.88Å; V201-L247 HydrophobicContact CG2-CD2 4.4Å
202	S	89.3	Confident	89	Confident	17 Å²	17	53.4 Å²	53.4	12%	0.119	25%	0.249	C	C	.	.			trans	-71.8	165.3	178.1	75.7	0	0	0	0	112.2	I204 Y205	S202-I204 PolarHBondContact O-N 2.77Å; S202-I204 PolarHBondContact OG-N 3.47Å; S202-Y205 PolarHBondContact O-N 3.38Å
203	N	84.9	Confident	89.2	Confident	43 Å²	43	50.6 Å²	50.6	23%	0.23	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.3	-16.9	175.9	-85.8	-45.2	0	0	0	113.9	Y158 E172 Y205 R206	Y158-N203 HydrophobicContact CE1-CB 4.5Å; Y158-N203 WeakPolarHBondContact OH-CB 3.33Å; Y158-N203 PolarHBondContact OH-N 3.05Å; Y158-N203 PolarHBondContact OH-ND2 2.99Å; Y158-N203 VanDerWaalsContact OH-ND2 3.15Å; E172-N203 PolarHBondContact OE1-ND2 2.87Å; N203-Y205 VanDerWaalsContact C-N 3.26Å; N203-Y205 PolarHBondContact O-N 3.18Å; N203-R206 WeakPolarHBondContact O-CB 3.28Å; N203-R206 PolarHBondContact O-N 3.31Å; N203-R206 PolarHBondContact OD1-NH1 3.43Å
204	I	80.9	Confident	89.3	Confident	149 Å²	149	52.6 Å²	52.6	76%	0.764	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-62.1	-36.8	175.1	-59.1	172.5	0	0	0	110.7	S202 R206	S202-I204 PolarHBondContact O-N 2.77Å; S202-I204 PolarHBondContact OG-N 3.47Å; I204-R206 VanDerWaalsContact C-N 3.32Å; I204-R206 PolarHBondContact O-N 3.4Å
205	Y	78.5	Confident	89.5	Confident	90 Å²	90	49 Å²	49	35%	0.353	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-87.2	3.5	-177.9	-61.9	-76.6	0	0	0	114	S202 N203 R207 S208 L209 L247	S202-Y205 PolarHBondContact O-N 3.38Å; N203-Y205 VanDerWaalsContact C-N 3.26Å; N203-Y205 PolarHBondContact O-N 3.18Å; Y205-R207 PolarHBondContact O-N 3.43Å; Y205-S208 PolarHBondContact O-N 3.09Å; Y205-S208 PolarHBondContact O-OG 3.06Å; Y205-L209 PolarHBondContact O-N 2.94Å; Y205-L247 HydrophobicContact CD2-CD2 4.4Å; Y205-L247 HydrophobicContact CE2-CD2 4.3Å
206	R	71.9	Confident	89.6	Confident	85 Å²	85	50.5 Å²	50.5	32%	0.321	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.2	-170.2	-171.5	171.2	-167.2	140.5	1.1	115.4	Y152 N203 I204 S208 L209 P211	Y152-R206 PolarHBondContact O-NH2 2.88Å; N203-R206 WeakPolarHBondContact O-CB 3.28Å; N203-R206 PolarHBondContact O-N 3.31Å; N203-R206 PolarHBondContact OD1-NH1 3.43Å; I204-R206 VanDerWaalsContact C-N 3.32Å; I204-R206 PolarHBondContact O-N 3.4Å; R206-S208 VanDerWaalsContact C-N 3.31Å; R206-L209 WeakPolarHBondContact CA-O 3.36Å; R206-P211 HydrophobicContact CB-CG 3.66Å; R206-P211 HydrophobicContact CG-CG 3.65Å
207	R	77.5	Confident	89.6	Confident	260 Å²	260	50.9 Å²	50.9	98%	0.981	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.9	175.7	-69.1	-174.6	176.3	176.7	0.2	113.7	Y205	Y205-R207 PolarHBondContact O-N 3.43Å
208	S	82.7	Confident	89.4	Confident	90 Å²	90	53.1 Å²	53.1	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-45.3	-173.6	59.4	0	0	0	0	112.6	Y205 R206	Y205-S208 PolarHBondContact O-N 3.09Å; Y205-S208 PolarHBondContact O-OG 3.06Å; R206-S208 VanDerWaalsContact C-N 3.31Å
209	L	86.8	Confident	89.2	Confident	66 Å²	66	56.9 Å²	56.9	35%	0.346	27%	0.27	S	S	.	.	S	Bend	trans	-128.4	149.4	-177.6	-65.5	173.7	0	0	0	109.3	V201 Y205 R206 P211 F243 L247	V201-L209 HydrophobicContact CG1-CB 3.67Å; V201-L209 HydrophobicContact CG2-CD1 4.45Å; Y205-L209 PolarHBondContact O-N 2.94Å; R206-L209 WeakPolarHBondContact CA-O 3.36Å; L209-P211 WeakPolarHBondContact O-CD 3.4Å; L209-F243 HydrophobicContact CD1-CE2 4.37Å; L209-F243 HydrophobicContact CD1-CZ 4.35Å; L209-L247 HydrophobicContact CD1-CD2 4.49Å
210	F	89.8	Confident	89	Confident	107 Å²	107	59.9 Å²	59.9	47%	0.469	30%	0.301	S	S	.	.			trans	-70.8	125.9	176.4	-173	-90.6	0	0	0	109.8	A212 Y214	F210-A212 HydrophobicContact CD1-CB 4.36Å; F210-A212 PolarHBondContact O-N 3.08Å; F210-Y214 PolarHBondContact O-OH 2.91Å
211	P	90.2	Very high	89	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.078	30%	0.3	C	S	.	.			trans	-71	121.5	-177.5	-17.4	30.7	0	0	0	112.5	Y158 V201 R206 L209	Y158-P211 HydrophobicContact CD1-CB 4.04Å; Y158-P211 HydrophobicContact CE1-CB 3.78Å; V201-P211 CarbonylContact O-C 3.46Å; V201-P211 WeakPolarHBondContact O-CA 3.29Å; V201-P211 WeakPolarHBondContact O-CB 3.47Å; R206-P211 HydrophobicContact CB-CG 3.66Å; R206-P211 HydrophobicContact CG-CG 3.65Å; L209-P211 WeakPolarHBondContact O-CD 3.4Å
212	A	92.7	Very high	89.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	165.4	177.7	0	0	0	0	0	110.4	H159 L161 V201 F210 Y214	H159-A212 HydrophobicContact CB-CB 4.09Å; H159-A212 WeakPolarHBondContact O-CA 3.39Å; H159-A212 WeakPolarHBondContact O-CB 3.47Å; L161-A212 HydrophobicContact CD1-CB 3.9Å; V201-A212 PolarHBondContact N-O 2.72Å; V201-A212 PolarHBondContact O-N 2.96Å; V201-A212 VanDerWaalsContact O-N 3.13Å; F210-A212 HydrophobicContact CD1-CB 4.36Å; F210-A212 PolarHBondContact O-N 3.08Å; A212-Y214 HydrophobicContact CB-CD2 4.19Å; A212-Y214 HydrophobicContact CB-CE1 4.2Å; A212-Y214 HydrophobicContact CB-CE2 3.65Å
213	L	95	Very high	89.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.9	166.3	178.2	59	0	0	0	108.7	L117 H159 V160 L161 M178 V179 L182 I198 F200 I215	L117-L213 HydrophobicContact CD2-CD2 4.46Å; H159-L213 PolarHBondContact O-N 3.34Å; V160-L213 WeakPolarHBondContact CA-O 3.49Å; V160-L213 HydrophobicContact CG1-CB 4.48Å; V160-L213 HydrophobicContact CG1-CD2 4.18Å; V160-L213 HydrophobicContact CG1-CG 4.36Å; V160-L213 HydrophobicContact CG2-CB 4.33Å; V160-L213 HydrophobicContact CG2-CD2 4.34Å; L161-L213 PolarHBondContact N-O 2.85Å; M178-L213 HydrophobicContact SD-CD2 4.18Å; V179-L213 HydrophobicContact CG2-CD1 3.87Å; L182-L213 HydrophobicContact CD1-CD2 4.42Å; I198-L213 HydrophobicContact CG2-CD1 4.08Å; F200-L213 HydrophobicContact CB-CD1 4.09Å; F200-L213 HydrophobicContact CD2-CB 4.47Å; F200-L213 HydrophobicContact CD2-CD1 4.4Å; L213-I215 HydrophobicContact CD1-CG1 4.31Å; L213-I215 HydrophobicContact CD2-CD1 4.15Å; L213-I215 HydrophobicContact CG-CD1 4.1Å; L213-I215 HydrophobicContact CG-CG1 4.16Å
214	Y	96.5	Very high	90	Very high	45 Å²	45	60 Å²	60	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.2	175.2	-54.5	-88.8	0	0	0	109.9	L161 C199 V201 F210 A212 F243	L161-Y214 HydrophobicContact CB-CD1 4.09Å; L161-Y214 HydrophobicContact CD1-CD1 4.1Å; L161-Y214 HydrophobicContact CD1-CE1 3.91Å; L161-Y214 HydrophobicContact CD2-CD1 4.4Å; L161-Y214 HydrophobicContact CD2-CE1 4.21Å; L161-Y214 HydrophobicContact CG-CD1 4.43Å; L161-Y214 HydrophobicContact CG-CE1 4.48Å; C199-Y214 WeakPolarHBondContact CB-O 3.26Å; C199-Y214 PolarHBondContact N-O 3.17Å; C199-Y214 PolarHBondContact O-N 3.1Å; V201-Y214 HydrophobicContact CB-CE2 4.38Å; V201-Y214 HydrophobicContact CG2-CD2 4.05Å; V201-Y214 HydrophobicContact CG2-CE2 3.9Å; F210-Y214 PolarHBondContact O-OH 2.91Å; A212-Y214 HydrophobicContact CB-CD2 4.19Å; A212-Y214 HydrophobicContact CB-CE1 4.2Å; A212-Y214 HydrophobicContact CB-CE2 3.65Å; Y214-F243 HydrophobicContact CD2-CE1 4.09Å
215	I	96.8	Very high	90.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.1	178.9	-60.7	167.1	0	0	0	108.9	V113 L117 V160 L161 V162 D163 L182 V196 E197 L213	V113-I215 HydrophobicContact CG1-CD1 4.36Å; V113-I215 HydrophobicContact CG1-CG2 3.83Å; L117-I215 HydrophobicContact CD1-CD1 3.71Å; L117-I215 HydrophobicContact CD2-CD1 3.85Å; L117-I215 HydrophobicContact CG-CD1 4.3Å; V160-I215 HydrophobicContact CG1-CD1 4.45Å; L161-I215 PolarHBondContact O-N 3.39Å; V162-I215 CarbonylContact C-O 3.57Å; V162-I215 VanDerWaalsContact CA-O 3.31Å; V162-I215 WeakPolarHBondContact CA-O 3.39Å; V162-I215 HydrophobicContact CG2-CB 4.25Å; V162-I215 HydrophobicContact CG2-CD1 4.45Å; D163-I215 PolarHBondContact N-O 2.77Å; L182-I215 HydrophobicContact CD1-CD1 3.87Å; V196-I215 HydrophobicContact CG1-CG2 3.48Å; V196-I215 VanDerWaalsContact CG1-CG2 3.48Å; E197-I215 WeakPolarHBondContact O-CA 3.34Å; L213-I215 HydrophobicContact CD1-CG1 4.31Å; L213-I215 HydrophobicContact CD2-CD1 4.15Å; L213-I215 HydrophobicContact CG-CD1 4.1Å; L213-I215 HydrophobicContact CG-CG1 4.16Å
216	F	96.3	Very high	91.7	Very high	54 Å²	54	49.4 Å²	49.4	24%	0.237	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.1	178.3	-53.2	-77	0	0	0	110.9	D163 V196 E197 R221 F243	D163-F216 WeakPolarHBondContact OD1-CA 3.36Å; V196-F216 WeakPolarHBondContact CA-O 3.09Å; E197-F216 HydrophobicContact CB-CB 4.29Å; E197-F216 HydrophobicContact CB-CD2 4.46Å; E197-F216 HydrophobicContact CG-CD2 4.34Å; E197-F216 PolarHBondContact N-O 3.33Å; E197-F216 PolarHBondContact O-N 3.2Å; F216-R221 VanDerWaalsContact O-CZ 3.28Å; F216-R221 PolarHBondContact O-NH1 3.27Å; F216-R221 PolarHBondContact O-NH2 3.26Å; F216-F243 HydrophobicContact CE2-CD1 4.2Å
217	T	95.2	Very high	92.9	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.043	24%	0.242	C	C	.	.			trans	-120.6	-5.4	175.7	83.8	0	0	0	0	112.7	T110 V113 V162 D163 V196 R221	T110-T217 PolarHBondContact OG1-OG1 2.93Å; V113-T217 HydrophobicContact CB-CG2 4.45Å; V113-T217 HydrophobicContact CG2-CG2 3.89Å; V162-T217 HydrophobicContact CG1-CG2 4.47Å; D163-T217 PolarHBondContact OD1-N 3.11Å; D163-T217 PolarHBondContact OD2-OG1 3.36Å; V196-T217 HydrophobicContact CG2-CG2 4.26Å; T217-R221 VanDerWaalsContact C-NH2 3.26Å; T217-R221 PolarHBondContact O-NH2 2.64Å
218	D	91.5	Very high	93.7	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.294	20%	0.198	S	C	.	.			trans	-57.6	160.9	179.1	-82.3	-4	0	0	0	115.9	T104 K108 D163 R221	T104-D218 PolarHBondContact OG1-O 3.18Å; T104-D218 VanDerWaalsContact OG1-O 3.12Å; K108-D218 WeakPolarHBondContact CD-OD1 3.35Å; K108-D218 WeakPolarHBondContact CE-OD1 2.96Å; K108-D218 IonicContact NZ-OD1 2.84Å; K108-D218 PolarHBondContact NZ-OD1 3.25Å; K108-D218 IonicContact NZ-OD2 2.68Å; D163-D218 PolarHBondContact OD1-N 3.26Å; D163-D218 VanDerWaalsContact OD1-N 3.15Å; D218-R221 VanDerWaalsContact O-CZ 3.26Å; D218-R221 PolarHBondContact O-NE 2.7Å; D218-R221 PolarHBondContact O-NH2 2.63Å
219	T	92.8	Very high	94.2	Very high	80 Å²	80	33.2 Å²	33.2	49%	0.491	18%	0.183	S	C	.	.	S	Bend	trans	-86.9	163.1	175	57	0	0	0	0	112	T104 E106 R221	T104-T219 WeakPolarHBondContact OG1-CA 3.19Å; E106-T219 WeakPolarHBondContact O-CG2 3.49Å; T219-R221 VanDerWaalsContact C-N 3.34Å; T219-R221 PolarHBondContact O-N 2.95Å
220	G	91.4	Very high	94.4	Very high	63 Å²	63	37.8 Å²	37.8	65%	0.649	20%	0.196	S	C	*	.	S	Bend	trans	80.4	8.3	178.4	0	0	0	0	0	115.3	T104	T104-G220 PolarHBondContact O-N 2.99Å; T104-G220 PolarHBondContact OG1-N 3.04Å; T104-G220 VanDerWaalsContact OG1-N 3.09Å
221	R	94.9	Very high	94.4	Very high	33 Å²	33	34 Å²	34	13%	0.125	18%	0.184	C	C	.	.			trans	-82.4	144.4	175.8	-66.9	178.5	-69.8	126.4	4.4	110.7	A103 T104 F195 E197 F216 T217 D218 T219	A103-R221 WeakPolarHBondContact CA-O 3.09Å; T104-R221 HydrophobicContact CG2-CB 4.27Å; T104-R221 PolarHBondContact N-O 3.44Å; T104-R221 PolarHBondContact OG1-N 3.16Å; F195-R221 PolarHBondContact O-NH1 2.84Å; F195-R221 VanDerWaalsContact O-NH1 3.07Å; F195-R221 PolarHBondContact O-NH2 3.48Å; E197-R221 IonicContact OE2-NH1 3.86Å; F216-R221 VanDerWaalsContact O-CZ 3.28Å; F216-R221 PolarHBondContact O-NH1 3.27Å; F216-R221 PolarHBondContact O-NH2 3.26Å; T217-R221 VanDerWaalsContact C-NH2 3.26Å; T217-R221 PolarHBondContact O-NH2 2.64Å; D218-R221 VanDerWaalsContact O-CZ 3.26Å; D218-R221 PolarHBondContact O-NE 2.7Å; D218-R221 PolarHBondContact O-NH2 2.63Å; T219-R221 VanDerWaalsContact C-N 3.34Å; T219-R221 PolarHBondContact O-N 2.95Å
222	M	96	Very high	94.1	Very high	61 Å²	61	42.3 Å²	42.3	30%	0.3	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.2	171.7	-70.2	-176.5	-71.9	0	0	109.2	F79 L97 T242	F79-M222 HydrophobicContact CD1-CB 3.95Å; F79-M222 HydrophobicContact CE1-CB 4.48Å; F79-M222 WeakPolarHBondContact CE1-O 3.44Å; L97-M222 HydrophobicContact CD2-SD 3.69Å; M222-T242 HydrophobicContact CB-CG2 4.29Å; M222-T242 HydrophobicContact CE-CG2 4.09Å
223	M	96	Very high	93.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.7	178.3	-59.2	-67	-73.6	0	0	109.4	C101 E102 T104 F195 E197 M239 I240 G241	C101-M223 CarbonylContact C-O 3.59Å; C101-M223 WeakPolarHBondContact CA-O 3.32Å; E102-M223 PolarHBondContact N-O 3.27Å; E102-M223 PolarHBondContact O-N 3.01Å; T104-M223 HydrophobicContact CG2-CB 4.44Å; T104-M223 HydrophobicContact CG2-CG 3.4Å; T104-M223 VanDerWaalsContact CG2-CG 3.4Å; F195-M223 HydrophobicContact CD1-CB 4.16Å; F195-M223 HydrophobicContact CD1-CG 4.06Å; F195-M223 HydrophobicContact CE1-CB 4.46Å; E197-M223 HydrophobicContact CB-CE 4.22Å; E197-M223 HydrophobicContact CB-SD 4.29Å; M223-M239 HydrophobicContact CB-CB 4.46Å; M223-M239 HydrophobicContact CB-CE 3.89Å; M223-M239 HydrophobicContact CE-CB 4.09Å; M223-M239 WeakPolarHBondContact CE-O 3.46Å; M223-I240 CarbonylContact C-O 3.58Å; M223-I240 VanDerWaalsContact CA-O 3.3Å; M223-I240 WeakPolarHBondContact CA-O 3.49Å; M223-G241 WeakPolarHBondContact SD-CA 3.46Å
224	R	97.1	Very high	93.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.1	174.9	73.4	-179.6	-168.9	96.7	-11.6	111.5	G78 F79 M239 I240 E266	G78-R224 WeakPolarHBondContact O-CD 3.41Å; F79-R224 HydrophobicContact CD1-CB 4.26Å; F79-R224 HydrophobicContact CD1-CG 4.34Å; F79-R224 HydrophobicContact CE1-CB 3.92Å; F79-R224 HydrophobicContact CE1-CG 3.7Å; F79-R224 HydrophobicContact CE2-CG 4.49Å; F79-R224 HydrophobicContact CZ-CB 4.5Å; F79-R224 HydrophobicContact CZ-CG 3.78Å; R224-M239 CarbonylContact O-C 3.45Å; R224-M239 WeakPolarHBondContact O-CA 3.47Å; R224-I240 HydrophobicContact CG-CD1 4.42Å; R224-I240 HydrophobicContact CG-CG1 3.84Å; R224-I240 PolarHBondContact N-O 3.11Å; R224-I240 PolarHBondContact O-N 3.11Å; R224-E266 IonicContact CZ-OE1 3.98Å; R224-E266 VanDerWaalsContact CZ-OE1 3.25Å; R224-E266 IonicContact CZ-OE2 3.6Å; R224-E266 IonicContact NH1-OE1 3.15Å; R224-E266 PolarHBondContact NH1-OE1 3.02Å; R224-E266 IonicContact NH1-OE2 3.87Å; R224-E266 PolarHBondContact NH1-OE2 3.28Å; R224-E266 IonicContact NH2-OE1 2.85Å; R224-E266 PolarHBondContact NH2-OE1 2.94Å; R224-E266 IonicContact NH2-OE2 2.9Å
225	P	96.8	Very high	92.6	Very high	17 Å²	17	57 Å²	57	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.2	176	30.6	-33.9	0	0	0	112.3	S100 L237 E238 M239 L267	S100-P225 WeakPolarHBondContact O-CD 3.07Å; P225-L237 HydrophobicContact CB-CD2 3.71Å; P225-E238 CarbonylContact C-O 3.57Å; P225-E238 WeakPolarHBondContact CA-O 3.37Å; P225-M239 HydrophobicContact CB-SD 3.73Å; P225-M239 HydrophobicContact CG-SD 4.36Å; P225-L267 HydrophobicContact CB-CD1 3.92Å; P225-L267 HydrophobicContact CG-CD1 3.61Å
226	V	97.1	Very high	92.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161	168.1	-69	0	0	0	0	110	E238 I240 I250 H264	V226-E238 HydrophobicContact CG2-CB 4.46Å; V226-E238 PolarHBondContact N-O 3.4Å; V226-E238 PolarHBondContact O-N 3.06Å; V226-I240 HydrophobicContact CB-CD1 4.49Å; V226-I240 HydrophobicContact CG1-CD1 3.77Å; V226-I240 HydrophobicContact CG1-CG1 4.22Å; V226-I240 HydrophobicContact CG2-CB 4.48Å; V226-I240 HydrophobicContact CG2-CD1 3.88Å; V226-I240 HydrophobicContact CG2-CG1 3.99Å; V226-I240 HydrophobicContact CG2-CG2 3.73Å; V226-I250 HydrophobicContact CG1-CD1 4.36Å; V226-I250 HydrophobicContact CG1-CG2 4.37Å; V226-H264 HydrophobicContact CB-CB 4.43Å; V226-H264 HydrophobicContact CG2-CB 4.24Å
227	V	96.5	Very high	92.4	Very high	25 Å²	25	60.1 Å²	60.1	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.9	173.8	-174.3	0	0	0	0	108.9	N236 H264 Q265 L267	V227-N236 CarbonylContact C-O 3.49Å; V227-N236 WeakPolarHBondContact CA-O 3.44Å; V227-N236 HydrophobicContact CG1-CB 4.46Å; V227-N236 WeakPolarHBondContact CG1-ND2 3.48Å; V227-H264 CarbonylContact O-C 3.52Å; V227-H264 WeakPolarHBondContact O-CA 3.04Å; V227-H264 WeakPolarHBondContact O-CB 3.45Å; V227-Q265 HydrophobicContact CB-CB 4.31Å; V227-Q265 PolarHBondContact N-O 3.43Å; V227-Q265 PolarHBondContact O-N 3.17Å; V227-L267 HydrophobicContact CG2-CD2 3.71Å
228	N	95.4	Very high	92.4	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.3	168.7	-176.1	-38.8	0	0	0	109	L187 R230 A231 N236 E238	L187-N228 HydrophobicContact CD1-CB 4.35Å; N228-R230 VanDerWaalsContact C-N 3.31Å; N228-R230 PolarHBondContact O-N 3.03Å; N228-R230 WeakPolarHBondContact OD1-CB 3.17Å; N228-R230 PolarHBondContact OD1-N 3.28Å; N228-A231 HydrophobicContact CB-CB 4.36Å; N228-A231 PolarHBondContact O-N 2.85Å; N228-A231 PolarHBondContact OD1-N 3.28Å; N228-N236 PolarHBondContact N-O 2.93Å; N228-E238 HydrophobicContact CB-CB 4.24Å; N228-E238 PolarHBondContact ND2-OE2 3.4Å
229	L	94	Very high	92.6	Very high	62 Å²	62	57.7 Å²	57.7	33%	0.325	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19	-174.4	-64.6	175.8	0	0	0	113.3	A231 Y257 T262 T263 Q265	L229-A231 VanDerWaalsContact C-N 3.32Å; L229-Y257 HydrophobicContact CD1-CD2 3.59Å; L229-Y257 HydrophobicContact CD1-CE2 3.71Å; L229-T262 HydrophobicContact CD1-CG2 3.9Å; L229-T263 WeakPolarHBondContact CB-O 3.33Å; L229-T263 PolarHBondContact N-O 3.45Å; L229-T263 VanDerWaalsContact N-O 3.09Å; L229-Q265 HydrophobicContact CD1-CB 4.42Å; L229-Q265 HydrophobicContact CD2-CB 3.94Å; L229-Q265 HydrophobicContact CG-CB 4.29Å
230	R	89.7	Confident	92.8	Very high	162 Å²	162	53.9 Å²	53.9	61%	0.611	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.6	175.7	-59.2	-179.6	177.4	-170	-6.1	111.7	D180 N228	D180-R230 IonicContact OD1-CZ 2.69Å; D180-R230 IonicContact OD1-NH1 3.72Å; D180-R230 PolarHBondContact OD1-NH1 3.11Å; D180-R230 IonicContact OD2-NH1 2.68Å; D180-R230 PolarHBondContact OD2-NH1 3.04Å; N228-R230 VanDerWaalsContact C-N 3.31Å; N228-R230 PolarHBondContact O-N 3.03Å; N228-R230 WeakPolarHBondContact OD1-CB 3.17Å; N228-R230 PolarHBondContact OD1-N 3.28Å
231	A	89.8	Confident	93	Very high	26 Å²	26	50.9 Å²	50.9	22%	0.215	24%	0.242	C	C	.	.	S	Bend	trans	-94.7	148.7	-179.6	0	0	0	0	0	112.6	L187 N228 L229 N236	L187-A231 HydrophobicContact CD1-CB 3.38Å; N228-A231 HydrophobicContact CB-CB 4.36Å; N228-A231 PolarHBondContact O-N 2.85Å; N228-A231 PolarHBondContact OD1-N 3.28Å; L229-A231 VanDerWaalsContact C-N 3.32Å; A231-N236 HydrophobicContact CB-CB 3.83Å; A231-N236 WeakPolarHBondContact O-CB 3.43Å
232	K	84.7	Confident	93.1	Very high	187 Å²	187	51.7 Å²	51.7	81%	0.813	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-87.6	138.5	178.4	-68.2	-174.7	179.3	179.9	0	111.6	Y235	K232-Y235 CarbonylContact O-C 3.48Å; K232-Y235 PolarHBondContact O-N 2.99Å; K232-Y235 VanDerWaalsContact O-N 3.14Å
233	H	83.2	Confident	93	Very high	155 Å²	155	52.1 Å²	52.1	72%	0.718	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	140.6	169.3	-174.6	-79.9	0	0	0	110.6
234	P	83.1	Confident	92.9	Very high	76 Å²	76	52.2 Å²	52.2	49%	0.494	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.8	-3	7.7	35.2	-35.6	0	0	0	115.7	N236	P234-N236 VanDerWaalsContact C-N 3.3Å; P234-N236 PolarHBondContact O-N 3.28Å
235	Y	86.7	Confident	92.8	Very high	124 Å²	124	53 Å²	53	49%	0.486	26%	0.255	S	S	.	.	S	Bend	trans	-95.5	53.3	-176.3	-58.9	-74.6	0	0	0	111.1	K189 K232	K189-Y235 WeakPolarHBondContact CE-OH 3.16Å; K189-Y235 HydrophobicContact CG-CE1 3.95Å; K232-Y235 CarbonylContact O-C 3.48Å; K232-Y235 PolarHBondContact O-N 2.99Å; K232-Y235 VanDerWaalsContact O-N 3.14Å
236	N	93.4	Very high	92.6	Very high	21 Å²	21	55.3 Å²	55.3	11%	0.112	28%	0.275	C	S	.	.			trans	-128.5	8.3	-178.1	66.4	-21.2	0	0	0	113.5	V227 N228 A231 P234 E238	V227-N236 CarbonylContact C-O 3.49Å; V227-N236 WeakPolarHBondContact CA-O 3.44Å; V227-N236 HydrophobicContact CG1-CB 4.46Å; V227-N236 WeakPolarHBondContact CG1-ND2 3.48Å; N228-N236 PolarHBondContact N-O 2.93Å; A231-N236 HydrophobicContact CB-CB 3.83Å; A231-N236 WeakPolarHBondContact O-CB 3.43Å; P234-N236 VanDerWaalsContact C-N 3.3Å; P234-N236 PolarHBondContact O-N 3.28Å; N236-E238 PolarHBondContact O-N 3.49Å
237	L	94.6	Very high	92.3	Very high	98 Å²	98	56.8 Å²	56.8	51%	0.513	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	103.7	176.2	-101.1	158.4	0	0	0	109.9	L187 P225 L267	L187-L237 WeakPolarHBondContact CD2-O 3.18Å; P225-L237 HydrophobicContact CB-CD2 3.71Å; L237-L267 HydrophobicContact CD2-CD1 4.33Å; L237-L267 HydrophobicContact CD2-CD2 3.45Å; L237-L267 VanDerWaalsContact CD2-CD2 3.45Å; L237-L267 HydrophobicContact CD2-CG 4.47Å; L237-L267 HydrophobicContact CG-CD2 4.38Å
238	E	95.4	Very high	92.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.3	-178.9	-169.7	170.9	166.6	0	0	111.1	R183 K186 L187 P225 V226 N228 N236 I240 H264	R183-E238 IonicContact CZ-OE1 3.27Å; R183-E238 IonicContact NH1-OE1 2.73Å; R183-E238 PolarHBondContact NH1-OE1 3.27Å; R183-E238 IonicContact NH1-OE2 3.57Å; K186-E238 HydrophobicContact CD-CG 4.44Å; K186-E238 WeakPolarHBondContact CE-OE1 3.43Å; K186-E238 IonicContact NZ-OE1 3.64Å; K186-E238 PolarHBondContact NZ-OE1 3.35Å; L187-E238 HydrophobicContact CD2-CB 4.05Å; P225-E238 CarbonylContact C-O 3.57Å; P225-E238 WeakPolarHBondContact CA-O 3.37Å; V226-E238 HydrophobicContact CG2-CB 4.46Å; V226-E238 PolarHBondContact N-O 3.4Å; V226-E238 PolarHBondContact O-N 3.06Å; N228-E238 HydrophobicContact CB-CB 4.24Å; N228-E238 PolarHBondContact ND2-OE2 3.4Å; N236-E238 PolarHBondContact O-N 3.49Å; E238-I240 HydrophobicContact CG-CG2 4.33Å; E238-H264 IonicContact OE2-CD2 2.75Å; E238-H264 IonicContact OE2-NE2 3.23Å; E238-H264 PolarHBondContact OE2-NE2 3.38Å; E238-H264 VanDerWaalsContact OE2-NE2 3.15Å
239	M	96.2	Very high	92.2	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.044	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.3	170.8	-61.1	-61.4	-73.2	0	0	109.5	E102 K186 R194 F195 M223 R224 P225	E102-M239 HydrophobicContact CB-CE 4.28Å; E102-M239 HydrophobicContact CG-CE 4.45Å; K186-M239 VanDerWaalsContact CE-O 3.25Å; K186-M239 WeakPolarHBondContact CE-O 3.49Å; K186-M239 PolarHBondContact NZ-O 3.3Å; R194-M239 HydrophobicContact CG-CG 4.11Å; R194-M239 WeakPolarHBondContact O-CB 3.41Å; F195-M239 HydrophobicContact CD1-CB 4.32Å; F195-M239 HydrophobicContact CD1-CE 4.44Å; F195-M239 HydrophobicContact CD1-CG 4.22Å; F195-M239 HydrophobicContact CE1-CE 3.75Å; F195-M239 HydrophobicContact CE1-CG 4.06Å; M223-M239 HydrophobicContact CB-CB 4.46Å; M223-M239 HydrophobicContact CB-CE 3.89Å; M223-M239 HydrophobicContact CE-CB 4.09Å; M223-M239 WeakPolarHBondContact CE-O 3.46Å; R224-M239 CarbonylContact O-C 3.45Å; R224-M239 WeakPolarHBondContact O-CA 3.47Å; P225-M239 HydrophobicContact CB-SD 3.73Å; P225-M239 HydrophobicContact CG-SD 4.36Å
240	I	97	Very high	92.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.3	177.1	62.3	169.8	0	0	0	110.9	M223 R224 V226 E238 E244 Q245 L248 I250	M223-I240 CarbonylContact C-O 3.58Å; M223-I240 VanDerWaalsContact CA-O 3.3Å; M223-I240 WeakPolarHBondContact CA-O 3.49Å; R224-I240 HydrophobicContact CG-CD1 4.42Å; R224-I240 HydrophobicContact CG-CG1 3.84Å; R224-I240 PolarHBondContact N-O 3.11Å; R224-I240 PolarHBondContact O-N 3.11Å; V226-I240 HydrophobicContact CB-CD1 4.49Å; V226-I240 HydrophobicContact CG1-CD1 3.77Å; V226-I240 HydrophobicContact CG1-CG1 4.22Å; V226-I240 HydrophobicContact CG2-CB 4.48Å; V226-I240 HydrophobicContact CG2-CD1 3.88Å; V226-I240 HydrophobicContact CG2-CG1 3.99Å; V226-I240 HydrophobicContact CG2-CG2 3.73Å; E238-I240 HydrophobicContact CG-CG2 4.33Å; I240-E244 WeakPolarHBondContact CA-OE2 3.17Å; I240-E244 HydrophobicContact CB-CG 4.23Å; I240-E244 HydrophobicContact CG2-CG 4.35Å; I240-Q245 HydrophobicContact CD1-CB 4.28Å; I240-L248 HydrophobicContact CD1-CD1 4.42Å; I240-L248 HydrophobicContact CG2-CD1 3.89Å; I240-I250 HydrophobicContact CD1-CD1 3.42Å; I240-I250 VanDerWaalsContact CD1-CD1 3.42Å
241	G	96.3	Very high	92.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	175.8	175.4	0	0	0	0	0	113.5	F79 E197 M223 E244 Q245	F79-G241 VanDerWaalsContact CZ-C 3.41Å; F79-G241 WeakPolarHBondContact CZ-O 3.25Å; E197-G241 VanDerWaalsContact OE1-C 3.24Å; E197-G241 VanDerWaalsContact OE1-CA 3.26Å; E197-G241 WeakPolarHBondContact OE1-CA 3.33Å; M223-G241 WeakPolarHBondContact SD-CA 3.46Å; G241-E244 PolarHBondContact N-OE2 3.27Å; G241-Q245 WeakPolarHBondContact O-CB 3.04Å; G241-Q245 PolarHBondContact O-N 2.58Å
242	T	95	Very high	92.9	Very high	50 Å²	50	52.5 Å²	52.5	31%	0.307	27%	0.269	S	S	.	.	H	α-helix	trans	-68	-36.9	-176.7	45.1	0	0	0	0	113.4	F79 E197 M222	F79-T242 HydrophobicContact CB-CG2 4.37Å; F79-T242 HydrophobicContact CD1-CG2 3.83Å; F79-T242 HydrophobicContact CD2-CG2 3.59Å; F79-T242 HydrophobicContact CE1-CG2 3.92Å; F79-T242 HydrophobicContact CE2-CG2 3.69Å; F79-T242 HydrophobicContact CG-CG2 3.66Å; F79-T242 HydrophobicContact CZ-CG2 3.87Å; E197-T242 PolarHBondContact OE1-N 3.02Å; M222-T242 HydrophobicContact CB-CG2 4.29Å; M222-T242 HydrophobicContact CE-CG2 4.09Å
243	F	94.3	Very high	93.4	Very high	71 Å²	71	46 Å²	46	31%	0.311	24%	0.241	S	C	.	.	H	α-helix	trans	-77.1	-41.1	-179.2	-170.8	-120.2	0	0	0	109.9	E197 C199 V201 L209 Y214 F216 Q245 A246	E197-F243 PolarHBondContact OE1-N 2.99Å; C199-F243 HydrophobicContact CB-CD1 3.38Å; C199-F243 HydrophobicContact CB-CE1 3.68Å; C199-F243 HydrophobicContact CB-CG 4.49Å; C199-F243 WeakPolarHBondContact SG-CD1 3.3Å; V201-F243 HydrophobicContact CG2-CE1 4.31Å; V201-F243 HydrophobicContact CG2-CZ 4.25Å; L209-F243 HydrophobicContact CD1-CE2 4.37Å; L209-F243 HydrophobicContact CD1-CZ 4.35Å; Y214-F243 HydrophobicContact CD2-CE1 4.09Å; F216-F243 HydrophobicContact CE2-CD1 4.2Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 3.24Å; F243-A246 PolarHBondContact O-N 3.34Å
244	E	94.8	Very high	93.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-42.2	174	173.8	170.1	-155.5	0	0	112.5	R183 K186 E197 I198 C199 I240 G241 A246 L247 L248	R183-E244 IonicContact CZ-OE1 3.88Å; R183-E244 IonicContact NH1-OE1 3.43Å; R183-E244 PolarHBondContact NH1-OE1 3.32Å; R183-E244 IonicContact NH2-OE1 2.94Å; R183-E244 PolarHBondContact NH2-OE1 2.99Å; K186-E244 IonicContact NZ-OE1 2.77Å; K186-E244 IonicContact NZ-OE2 3.82Å; E197-E244 HydrophobicContact CG-CB 3.74Å; E197-E244 PolarHBondContact OE1-N 3.37Å; I198-E244 PolarHBondContact N-OE2 3.49Å; I198-E244 VanDerWaalsContact O-CG 3.29Å; I198-E244 WeakPolarHBondContact O-CG 3.48Å; C199-E244 PolarHBondContact SG-N 3.11Å; C199-E244 VanDerWaalsContact SG-N 3.35Å; I240-E244 WeakPolarHBondContact CA-OE2 3.17Å; I240-E244 HydrophobicContact CB-CG 4.23Å; I240-E244 HydrophobicContact CG2-CG 4.35Å; G241-E244 PolarHBondContact N-OE2 3.27Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.19Å; E244-L247 PolarHBondContact O-N 2.85Å; E244-L248 HydrophobicContact CG-CD1 3.69Å; E244-L248 HydrophobicContact CG-CG 4.29Å; E244-L248 WeakPolarHBondContact O-CG 3.22Å
245	Q	95.3	Very high	94.3	Very high	20 Å²	20	47 Å²	47	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-36.4	179.6	175.5	170.8	-75.3	0	0	113.5	E75 W77 F79 I240 G241 F243 L247 L248 I250	E75-Q245 PolarHBondContact O-NE2 2.96Å; W77-Q245 PolarHBondContact O-NE2 3.38Å; W77-Q245 PolarHBondContact O-OE1 3.2Å; F79-Q245 HydrophobicContact CE2-CB 4.1Å; F79-Q245 HydrophobicContact CE2-CG 4.46Å; F79-Q245 VanDerWaalsContact CE2-OE1 3.31Å; F79-Q245 HydrophobicContact CZ-CB 4.5Å; I240-Q245 HydrophobicContact CD1-CB 4.28Å; G241-Q245 WeakPolarHBondContact O-CB 3.04Å; G241-Q245 PolarHBondContact O-N 2.58Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 3.24Å; Q245-L247 PolarHBondContact O-N 2.86Å; Q245-L247 VanDerWaalsContact O-N 3.11Å; Q245-L248 PolarHBondContact O-N 3.39Å; Q245-I250 HydrophobicContact CG-CD1 4.34Å
246	A	91.2	Very high	94.7	Very high	64 Å²	64	45.8 Å²	45.8	53%	0.529	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.1	-178.5	0	0	0	0	0	113.1	F243 E244	F243-A246 PolarHBondContact O-N 3.34Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.19Å
247	L	92	Very high	94.8	Very high	31 Å²	31	50.3 Å²	50.3	16%	0.162	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	1.8	-177.9	-55.5	169.9	0	0	0	112.5	C199 V201 Y205 L209 E244 Q245	C199-L247 HydrophobicContact CB-CD1 4.09Å; V201-L247 HydrophobicContact CG2-CD1 3.88Å; V201-L247 HydrophobicContact CG2-CD2 4.4Å; Y205-L247 HydrophobicContact CD2-CD2 4.4Å; Y205-L247 HydrophobicContact CE2-CD2 4.3Å; L209-L247 HydrophobicContact CD1-CD2 4.49Å; E244-L247 PolarHBondContact O-N 2.85Å; Q245-L247 PolarHBondContact O-N 2.86Å; Q245-L247 VanDerWaalsContact O-N 3.11Å
248	L	94	Very high	94.8	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.147	26%	0.261	C	S	.	.			trans	-114.8	138	-175.6	-72.4	179.5	0	0	0	112.5	I240 E244 Q245 I250	I240-L248 HydrophobicContact CD1-CD1 4.42Å; I240-L248 HydrophobicContact CG2-CD1 3.89Å; E244-L248 HydrophobicContact CG-CD1 3.69Å; E244-L248 HydrophobicContact CG-CG 4.29Å; E244-L248 WeakPolarHBondContact O-CG 3.22Å; Q245-L248 PolarHBondContact O-N 3.39Å; L248-I250 HydrophobicContact CB-CD1 4.22Å; L248-I250 HydrophobicContact CB-CG1 4Å
249	D	95	Very high	94.7	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	30%	0.298	S	S	.	.			trans	-89.9	105.6	171.3	-64	-62.5	0	0	0	111.1	V261 T263 H264	D249-V261 HydrophobicContact CB-CG1 4.15Å; D249-V261 WeakPolarHBondContact CB-O 3.5Å; D249-T263 PolarHBondContact O-N 3.33Å; D249-T263 PolarHBondContact O-OG1 3.14Å; D249-H264 PolarHBondContact O-N 3.13Å
250	I	96.7	Very high	94.4	Very high	36 Å²	36	61 Å²	61	19%	0.185	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.1	-173.9	-44.1	-177.5	0	0	0	109.4	V226 I240 Q245 L248 H264 E266	V226-I250 HydrophobicContact CG1-CD1 4.36Å; V226-I250 HydrophobicContact CG1-CG2 4.37Å; I240-I250 HydrophobicContact CD1-CD1 3.42Å; I240-I250 VanDerWaalsContact CD1-CD1 3.42Å; Q245-I250 HydrophobicContact CG-CD1 4.34Å; L248-I250 HydrophobicContact CB-CD1 4.22Å; L248-I250 HydrophobicContact CB-CG1 4Å; I250-H264 WeakPolarHBondContact CA-O 3.41Å; I250-H264 HydrophobicContact CB-CB 4.39Å; I250-H264 HydrophobicContact CG1-CB 4.09Å; I250-H264 HydrophobicContact CG2-CB 4.03Å; I250-E266 HydrophobicContact CG2-CG 4.29Å
251	C	96.7	Very high	94.2	Very high	8 Å²	8	64.4 Å²	64.4	5%	0.054	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	149.6	174.3	66.5	0	0	0	0	111.6	E256 T262 H264 Q265 E266	C251-E256 HydrophobicContact CB-CB 4.07Å; C251-T262 HydrophobicContact CB-CG2 3.76Å; C251-H264 PolarHBondContact N-O 2.94Å; C251-Q265 CarbonylContact O-C 3.56Å; C251-Q265 WeakPolarHBondContact O-CA 3.43Å; C251-E266 PolarHBondContact O-N 3.25Å
252	V	96	Very high	94.2	Very high	36 Å²	36	65.3 Å²	65.3	22%	0.218	36%	0.363	C	S	.	.	S	Bend	trans	-86.3	-43.3	179.4	-176.7	0	0	0	0	110.3	W77 E256 E266 P269	W77-V252 HydrophobicContact CZ2-CG2 3.93Å; V252-E256 WeakPolarHBondContact CA-OE2 2.93Å; V252-E256 VanDerWaalsContact CB-OE2 3.31Å; V252-E256 WeakPolarHBondContact CB-OE2 3.25Å; V252-E256 PolarHBondContact N-OE2 3.35Å; V252-E266 HydrophobicContact CB-CG 4.47Å; V252-E266 HydrophobicContact CG1-CG 4.48Å; V252-E266 HydrophobicContact CG2-CG 4.36Å; V252-P269 HydrophobicContact CG1-CB 4.15Å
253	K	93.8	Very high	94.2	Very high	52 Å²	52	64.2 Å²	64.2	23%	0.226	36%	0.356	C	S	.	.	S	Bend	trans	-116.3	152.5	177.1	-67	-176.9	176.9	-172.8	0	111.1	E255 E256 P269 F555	K253-E255 PolarHBondContact O-N 3.43Å; K253-E255 VanDerWaalsContact O-N 3.15Å; K253-E256 HydrophobicContact CB-CG 4.33Å; K253-E256 PolarHBondContact N-OE2 3.16Å; K253-E256 WeakPolarHBondContact O-CB 3.36Å; K253-E256 PolarHBondContact O-N 2.9Å; K253-P269 HydrophobicContact CG-CG 4.23Å; K253-F555 PolarHBondContact NZ-O 2.89Å
254	P	92.9	Very high	94.3	Very high	84 Å²	84	60.9 Å²	60.9	55%	0.545	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55.4	-32	174.8	-23.7	31.5	0	0	0	113.6	E256 Y257	P254-E256 PolarHBondContact O-N 3.14Å; P254-Y257 VanDerWaalsContact O-CB 3.31Å; P254-Y257 WeakPolarHBondContact O-CB 3.36Å; P254-Y257 PolarHBondContact O-N 3.29Å
255	E	92.7	Very high	94.3	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20	-179.8	-61.5	160.5	-141.1	0	0	113.4	K253 Y257	K253-E255 PolarHBondContact O-N 3.43Å; K253-E255 VanDerWaalsContact O-N 3.15Å; E255-Y257 VanDerWaalsContact C-N 3.34Å
256	E	94.5	Very high	94.4	Very high	99 Å²	99	62.1 Å²	62.1	46%	0.463	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-92.7	4.1	-178.7	-61.7	166.6	171.2	0	0	112.3	C251 V252 K253 P254 V258	C251-E256 HydrophobicContact CB-CB 4.07Å; V252-E256 WeakPolarHBondContact CA-OE2 2.93Å; V252-E256 VanDerWaalsContact CB-OE2 3.31Å; V252-E256 WeakPolarHBondContact CB-OE2 3.25Å; V252-E256 PolarHBondContact N-OE2 3.35Å; K253-E256 HydrophobicContact CB-CG 4.33Å; K253-E256 PolarHBondContact N-OE2 3.16Å; K253-E256 WeakPolarHBondContact O-CB 3.36Å; K253-E256 PolarHBondContact O-N 2.9Å; P254-E256 PolarHBondContact O-N 3.14Å; E256-V258 PolarHBondContact O-N 2.74Å
257	Y	95.5	Very high	94.5	Very high	117 Å²	117	62.1 Å²	62.1	46%	0.459	34%	0.338	S	S	.	.			trans	-64.3	131	179.6	174.7	-97.8	0	0	0	111.6	L229 P254 E255 E259 T262	L229-Y257 HydrophobicContact CD1-CD2 3.59Å; L229-Y257 HydrophobicContact CD1-CE2 3.71Å; P254-Y257 VanDerWaalsContact O-CB 3.31Å; P254-Y257 WeakPolarHBondContact O-CB 3.36Å; P254-Y257 PolarHBondContact O-N 3.29Å; E255-Y257 VanDerWaalsContact C-N 3.34Å; Y257-E259 HydrophobicContact CE1-CB 4.14Å; Y257-T262 HydrophobicContact CD2-CG2 3.88Å; Y257-T262 HydrophobicContact CE2-CG2 4.4Å
258	V	96.1	Very high	94.7	Very high	80 Å²	80	64.9 Å²	64.9	49%	0.485	35%	0.352	S	S	.	.			trans	-118.3	119.9	173.7	-177.5	0	0	0	0	109.1	E256 G260 V261 T262	E256-V258 PolarHBondContact O-N 2.74Å; V258-G260 PolarHBondContact O-N 2.96Å; V258-V261 HydrophobicContact CB-CB 4.24Å; V258-V261 HydrophobicContact CG1-CB 4.14Å; V258-V261 HydrophobicContact CG1-CG2 4Å; V258-V261 PolarHBondContact O-N 2.83Å; V258-T262 PolarHBondContact N-OG1 3.39Å; V258-T262 PolarHBondContact O-N 3.01Å; V258-T262 PolarHBondContact O-OG1 2.97Å
259	E	93.1	Very high	94.7	Very high	170 Å²	170	65.3 Å²	65.3	79%	0.794	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	135.5	179.4	-172.3	171.9	-166.6	0	0	111.3	Y257 V261	Y257-E259 HydrophobicContact CE1-CB 4.14Å; E259-V261 PolarHBondContact O-N 2.87Å
260	G	90.2	Very high	94.8	Very high	82 Å²	82	61.6 Å²	61.6	85%	0.845	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-10.1	-178.7	0	0	0	0	0	115.6	V258	V258-G260 PolarHBondContact O-N 2.96Å
261	V	92.6	Very high	94.8	Very high	72 Å²	72	60.5 Å²	60.5	44%	0.436	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-57.7	179.4	-178.8	0	0	0	0	110.7	D249 V258 E259 T263	D249-V261 HydrophobicContact CB-CG1 4.15Å; D249-V261 WeakPolarHBondContact CB-O 3.5Å; V258-V261 HydrophobicContact CB-CB 4.24Å; V258-V261 HydrophobicContact CG1-CB 4.14Å; V258-V261 HydrophobicContact CG1-CG2 4Å; V258-V261 PolarHBondContact O-N 2.83Å; E259-V261 PolarHBondContact O-N 2.87Å; V261-T263 PolarHBondContact O-N 2.67Å
262	T	95.2	Very high	94.8	Very high	19 Å²	19	61.5 Å²	61.5	12%	0.117	34%	0.336	C	S	.	.			trans	-69.7	124.1	-174.1	-52.4	0	0	0	0	111.1	L229 C251 Y257 V258 H264	L229-T262 HydrophobicContact CD1-CG2 3.9Å; C251-T262 HydrophobicContact CB-CG2 3.76Å; Y257-T262 HydrophobicContact CD2-CG2 3.88Å; Y257-T262 HydrophobicContact CE2-CG2 4.4Å; V258-T262 PolarHBondContact N-OG1 3.39Å; V258-T262 PolarHBondContact O-N 3.01Å; V258-T262 PolarHBondContact O-OG1 2.97Å; T262-H264 VanDerWaalsContact CG2-O 3.29Å; T262-H264 WeakPolarHBondContact CG2-O 3.46Å
263	T	94.5	Very high	94.8	Very high	26 Å²	26	60.2 Å²	60.2	16%	0.16	33%	0.328	C	S	.	.			trans	-105	-32.3	-179.2	53.8	0	0	0	0	112.5	L229 D249 V261	L229-T263 WeakPolarHBondContact CB-O 3.33Å; L229-T263 PolarHBondContact N-O 3.45Å; L229-T263 VanDerWaalsContact N-O 3.09Å; D249-T263 PolarHBondContact O-N 3.33Å; D249-T263 PolarHBondContact O-OG1 3.14Å; V261-T263 PolarHBondContact O-N 2.67Å
264	H	96.6	Very high	95	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	166.6	-175.4	-59.7	78.6	0	0	0	111.8	V226 V227 E238 D249 I250 C251 T262	V226-H264 HydrophobicContact CB-CB 4.43Å; V226-H264 HydrophobicContact CG2-CB 4.24Å; V227-H264 CarbonylContact O-C 3.52Å; V227-H264 WeakPolarHBondContact O-CA 3.04Å; V227-H264 WeakPolarHBondContact O-CB 3.45Å; E238-H264 IonicContact OE2-CD2 2.75Å; E238-H264 IonicContact OE2-NE2 3.23Å; E238-H264 PolarHBondContact OE2-NE2 3.38Å; E238-H264 VanDerWaalsContact OE2-NE2 3.15Å; D249-H264 PolarHBondContact O-N 3.13Å; I250-H264 WeakPolarHBondContact CA-O 3.41Å; I250-H264 HydrophobicContact CB-CB 4.39Å; I250-H264 HydrophobicContact CG1-CB 4.09Å; I250-H264 HydrophobicContact CG2-CB 4.03Å; C251-H264 PolarHBondContact N-O 2.94Å; T262-H264 VanDerWaalsContact CG2-O 3.29Å; T262-H264 WeakPolarHBondContact CG2-O 3.46Å
265	Q	96.4	Very high	95.2	Very high	43 Å²	43	55.1 Å²	55.1	20%	0.201	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.3	175.6	-176.4	-169.6	-27.5	0	0	111	V227 L229 C251	V227-Q265 HydrophobicContact CB-CB 4.31Å; V227-Q265 PolarHBondContact N-O 3.43Å; V227-Q265 PolarHBondContact O-N 3.17Å; L229-Q265 HydrophobicContact CD1-CB 4.42Å; L229-Q265 HydrophobicContact CD2-CB 3.94Å; L229-Q265 HydrophobicContact CG-CB 4.29Å; C251-Q265 CarbonylContact O-C 3.56Å; C251-Q265 WeakPolarHBondContact O-CA 3.43Å
266	E	96.7	Very high	95.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.019	26%	0.261	C	S	.	.			trans	-62.7	143.4	169.7	-68.1	-64.8	170.6	0	0	112.4	W77 R224 I250 C251 V252 L268	W77-E266 PolarHBondContact NE1-OE1 2.79Å; R224-E266 IonicContact CZ-OE1 3.98Å; R224-E266 VanDerWaalsContact CZ-OE1 3.25Å; R224-E266 IonicContact CZ-OE2 3.6Å; R224-E266 IonicContact NH1-OE1 3.15Å; R224-E266 PolarHBondContact NH1-OE1 3.02Å; R224-E266 IonicContact NH1-OE2 3.87Å; R224-E266 PolarHBondContact NH1-OE2 3.28Å; R224-E266 IonicContact NH2-OE1 2.85Å; R224-E266 PolarHBondContact NH2-OE1 2.94Å; R224-E266 IonicContact NH2-OE2 2.9Å; I250-E266 HydrophobicContact CG2-CG 4.29Å; C251-E266 PolarHBondContact O-N 3.25Å; V252-E266 HydrophobicContact CB-CG 4.47Å; V252-E266 HydrophobicContact CG1-CG 4.48Å; V252-E266 HydrophobicContact CG2-CG 4.36Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 2.73Å
267	L	94.1	Very high	95.5	Very high	63 Å²	63	42.8 Å²	42.8	33%	0.33	24%	0.239	S	C	.	.	S	Bend	trans	-61.4	-41.1	177.9	-60.5	177.9	0	0	0	113	P225 V227 L237	P225-L267 HydrophobicContact CB-CD1 3.92Å; P225-L267 HydrophobicContact CG-CD1 3.61Å; V227-L267 HydrophobicContact CG2-CD2 3.71Å; L237-L267 HydrophobicContact CD2-CD1 4.33Å; L237-L267 HydrophobicContact CD2-CD2 3.45Å; L237-L267 VanDerWaalsContact CD2-CD2 3.45Å; L237-L267 HydrophobicContact CD2-CG 4.47Å; L237-L267 HydrophobicContact CG-CD2 4.38Å
268	L	94.5	Very high	95.6	Very high	89 Å²	89	37.5 Å²	37.5	47%	0.466	22%	0.219	S	C	.	.	S	Bend	trans	-151.1	147.1	-177.9	-67.8	173.5	0	0	0	106.5	E266 T270 S271	E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 2.73Å; L268-T270 PolarHBondContact O-N 2.94Å; L268-S271 PolarHBondContact N-OG 3.08Å; L268-S271 WeakPolarHBondContact O-CB 3.35Å; L268-S271 PolarHBondContact O-N 2.83Å; L268-S271 PolarHBondContact O-OG 3.21Å; L268-S271 VanDerWaalsContact O-OG 3.05Å
269	P	95.2	Very high	95.6	Very high	37 Å²	37	34.4 Å²	34.4	24%	0.24	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.2	173.1	-26.4	35.6	0	0	0	113.2	V252 K253 F272 F555	V252-P269 HydrophobicContact CG1-CB 4.15Å; K253-P269 HydrophobicContact CG-CG 4.23Å; P269-F272 WeakPolarHBondContact O-CD1 3.49Å; P269-F272 WeakPolarHBondContact O-CE1 3.17Å; P269-F555 HydrophobicContact CB-CB 4.05Å; P269-F555 HydrophobicContact CB-CD2 3.85Å; P269-F555 HydrophobicContact CB-CG 4.23Å
270	T	96.5	Very high	95.9	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.055	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.1	-179.4	58.2	0	0	0	0	114.4	L268 F272 L273 N278 T553 P554 F555	L268-T270 PolarHBondContact O-N 2.94Å; T270-F272 PolarHBondContact O-N 3.28Å; T270-F272 VanDerWaalsContact O-N 3.08Å; T270-L273 HydrophobicContact CG2-CD1 4.41Å; T270-L273 WeakPolarHBondContact O-CB 3.33Å; T270-L273 PolarHBondContact O-N 3.43Å; T270-N278 WeakPolarHBondContact CB-OD1 3.47Å; T270-N278 PolarHBondContact O-OD1 3.47Å; T270-T553 HydrophobicContact CG2-CG2 3.99Å; T270-P554 HydrophobicContact CG2-CB 4.13Å; T270-P554 HydrophobicContact CG2-CG 4.28Å; T270-F555 HydrophobicContact CG2-CD2 4.05Å; T270-F555 HydrophobicContact CG2-CE2 4.39Å
271	S	96	Very high	96.2	Very high	13 Å²	13	22.6 Å²	22.6	9%	0.091	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.6	-178.1	-70.4	0	0	0	0	113.9	T98 S100 L268 L273	T98-S271 WeakPolarHBondContact CB-O 3.46Å; S100-S271 PolarHBondContact OG-O 3.19Å; L268-S271 PolarHBondContact N-OG 3.08Å; L268-S271 WeakPolarHBondContact O-CB 3.35Å; L268-S271 PolarHBondContact O-N 2.83Å; L268-S271 PolarHBondContact O-OG 3.21Å; L268-S271 VanDerWaalsContact O-OG 3.05Å; S271-L273 PolarHBondContact O-N 3.12Å
272	F	96.6	Very high	96.4	Very high	29 Å²	29	19.2 Å²	19.2	13%	0.127	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.2	176.4	73.4	-94.8	0	0	0	114.1	W77 P82 T98 P269 T270 F555	W77-F272 HydrophobicContact CD2-CB 4.22Å; W77-F272 HydrophobicContact CE3-CB 4.41Å; W77-F272 HydrophobicContact CH2-CB 4.39Å; W77-F272 AromaticContact CH2-CD1 3.59Å; W77-F272 HydrophobicContact CH2-CD1 3.59Å; W77-F272 AromaticContact CH2-CE1 3.97Å; W77-F272 HydrophobicContact CH2-CE1 3.97Å; W77-F272 AromaticContact CH2-CG 3.99Å; W77-F272 HydrophobicContact CH2-CG 3.99Å; W77-F272 HydrophobicContact CZ2-CB 4.19Å; W77-F272 AromaticContact CZ2-CD1 3.78Å; W77-F272 HydrophobicContact CZ2-CD1 3.78Å; W77-F272 HydrophobicContact CZ2-CG 4.19Å; W77-F272 HydrophobicContact CZ3-CB 4.5Å; W77-F272 HydrophobicContact CZ3-CD1 4.2Å; W77-F272 HydrophobicContact CZ3-CG 4.17Å; P82-F272 WeakPolarHBondContact CD-O 3.37Å; P82-F272 HydrophobicContact CG-CD2 3.68Å; P82-F272 HydrophobicContact CG-CE2 3.89Å; T98-F272 VanDerWaalsContact CG2-C 3.49Å; T98-F272 WeakPolarHBondContact CG2-O 3.39Å; P269-F272 WeakPolarHBondContact O-CD1 3.49Å; P269-F272 WeakPolarHBondContact O-CE1 3.17Å; T270-F272 PolarHBondContact O-N 3.28Å; T270-F272 VanDerWaalsContact O-N 3.08Å; F272-F555 AromaticContact CE1-CE2 3.75Å; F272-F555 HydrophobicContact CE1-CE2 3.75Å; F272-F555 HydrophobicContact CE1-CZ 4.11Å; F272-F555 AromaticContact CZ-CE2 3.83Å; F272-F555 HydrophobicContact CZ-CE2 3.83Å; F272-F555 AromaticContact CZ-CZ 3.89Å; F272-F555 HydrophobicContact CZ-CZ 3.89Å
273	L	97.8	Very high	96.5	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.042	10%	0.101	C	C	.	.	S	Bend	trans	-93.4	148.3	-179.8	-63.5	178.1	0	0	0	112	V83 T98 A99 T270 S271 A277 N278	V83-L273 HydrophobicContact CG2-CD2 4.03Å; T98-L273 WeakPolarHBondContact CA-O 3.4Å; A99-L273 PolarHBondContact N-O 3.4Å; T270-L273 HydrophobicContact CG2-CD1 4.41Å; T270-L273 WeakPolarHBondContact O-CB 3.33Å; T270-L273 PolarHBondContact O-N 3.43Å; S271-L273 PolarHBondContact O-N 3.12Å; L273-A277 HydrophobicContact CB-CB 4.09Å; L273-A277 HydrophobicContact CD2-CB 4.08Å; L273-N278 PolarHBondContact O-ND2 3.21Å; L273-N278 VanDerWaalsContact O-ND2 3.09Å
274	S	97.6	Very high	96.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-71.2	172.2	172.5	68.3	0	0	0	0	111.9	C81 H84 L97 N276 A277 N278	C81-S274 PolarHBondContact SG-N 3.04Å; H84-S274 WeakPolarHBondContact CB-OG 3.22Å; H84-S274 PolarHBondContact ND1-OG 3.34Å; L97-S274 WeakPolarHBondContact O-CB 3.46Å; S274-N276 VanDerWaalsContact C-N 3.33Å; S274-N276 PolarHBondContact O-N 3.25Å; S274-A277 PolarHBondContact O-N 3.09Å; S274-A277 WeakPolarHBondContact OG-CB 3.48Å; S274-A277 PolarHBondContact OG-N 3.47Å; S274-N278 WeakPolarHBondContact O-CB 3.3Å; S274-N278 PolarHBondContact O-N 3.36Å; S274-N278 PolarHBondContact O-ND2 3.43Å
275	Y	96.5	Very high	96.5	Very high	28 Å²	28	22.9 Å²	22.9	11%	0.11	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-51.1	172	-173.9	-83.1	0	0	0	112.4	Y45 L46 V49 L279 Y336	Y45-Y275 WeakPolarHBondContact CE1-OH 3.48Å; L46-Y275 HydrophobicContact CD2-CD1 4.28Å; L46-Y275 HydrophobicContact CD2-CE1 3.67Å; V49-Y275 HydrophobicContact CG1-CD1 4Å; V49-Y275 HydrophobicContact CG1-CD2 4.27Å; V49-Y275 HydrophobicContact CG1-CE1 4.17Å; V49-Y275 HydrophobicContact CG1-CE2 4.41Å; V49-Y275 HydrophobicContact CG1-CG 4.06Å; Y275-L279 HydrophobicContact CE1-CD1 4.25Å; Y275-L279 WeakPolarHBondContact O-CG 3.45Å; Y275-Y336 HydrophobicContact CD2-CD1 4.13Å; Y275-Y336 AromaticContact CD2-CD2 3.63Å; Y275-Y336 HydrophobicContact CD2-CD2 3.63Å; Y275-Y336 HydrophobicContact CD2-CE1 4.22Å; Y275-Y336 AromaticContact CD2-CE2 3.73Å; Y275-Y336 HydrophobicContact CD2-CE2 3.73Å; Y275-Y336 AromaticContact CD2-CG 3.87Å; Y275-Y336 HydrophobicContact CD2-CG 3.87Å; Y275-Y336 HydrophobicContact CE1-CD2 4.3Å; Y275-Y336 AromaticContact CE2-CD1 3.74Å; Y275-Y336 HydrophobicContact CE2-CD1 3.74Å; Y275-Y336 AromaticContact CE2-CD2 3.37Å; Y275-Y336 HydrophobicContact CE2-CD2 3.37Å; Y275-Y336 HydrophobicContact CE2-CE1 4.29Å; Y275-Y336 AromaticContact CE2-CE2 3.98Å; Y275-Y336 HydrophobicContact CE2-CE2 3.98Å; Y275-Y336 AromaticContact CE2-CG 3.26Å; Y275-Y336 HydrophobicContact CE2-CG 3.26Å; Y275-Y336 HydrophobicContact CG-CD2 4.21Å; Y275-Y336 HydrophobicContact CG-CE2 4.18Å; Y275-Y336 AromaticContact CZ-CD2 3.73Å; Y275-Y336 AromaticContact CZ-CG 3.79Å; Y275-Y336 WeakPolarHBondContact OH-CB 3.15Å
276	N	96.5	Very high	96.5	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-39.3	-178.5	-71.2	1.1	0	0	0	112.9	H84 S274 N278 L279	H84-N276 PolarHBondContact CE1-ND2 3.44Å; S274-N276 VanDerWaalsContact C-N 3.33Å; S274-N276 PolarHBondContact O-N 3.25Å; N276-N278 VanDerWaalsContact C-N 3.27Å; N276-N278 PolarHBondContact O-N 2.98Å; N276-L279 WeakPolarHBondContact O-CB 3.45Å; N276-L279 PolarHBondContact O-N 2.88Å; N276-L279 VanDerWaalsContact O-N 3.12Å
277	A	97.6	Very high	96.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-66.9	-31.6	-177.3	0	0	0	0	0	111.9	V83 L273 S274 L279 I280	V83-A277 HydrophobicContact CB-CB 4.17Å; V83-A277 HydrophobicContact CG1-CB 4.25Å; L273-A277 HydrophobicContact CB-CB 4.09Å; L273-A277 HydrophobicContact CD2-CB 4.08Å; S274-A277 PolarHBondContact O-N 3.09Å; S274-A277 WeakPolarHBondContact OG-CB 3.48Å; S274-A277 PolarHBondContact OG-N 3.47Å; A277-L279 PolarHBondContact O-N 3.36Å; A277-I280 WeakPolarHBondContact O-CG1 3.48Å; A277-I280 PolarHBondContact O-N 3.13Å
278	N	97.1	Very high	96.7	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65.8	-12.3	173.4	-89.2	-51.5	0	0	0	114.7	T270 L273 S274 N276 T330 A332 Y336	T270-N278 WeakPolarHBondContact CB-OD1 3.47Å; T270-N278 PolarHBondContact O-OD1 3.47Å; L273-N278 PolarHBondContact O-ND2 3.21Å; L273-N278 VanDerWaalsContact O-ND2 3.09Å; S274-N278 WeakPolarHBondContact O-CB 3.3Å; S274-N278 PolarHBondContact O-N 3.36Å; S274-N278 PolarHBondContact O-ND2 3.43Å; N276-N278 VanDerWaalsContact C-N 3.27Å; N276-N278 PolarHBondContact O-N 2.98Å; N278-T330 WeakPolarHBondContact O-CB 3.48Å; N278-T330 WeakPolarHBondContact O-CG2 3.06Å; N278-T330 PolarHBondContact O-OG1 3.39Å; N278-A332 HydrophobicContact CB-CB 3.82Å; N278-Y336 HydrophobicContact CB-CE2 4.37Å
279	L	97.1	Very high	96.7	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.073	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-93	-3.6	179.3	-57.5	176.6	0	0	0	112.9	L46 Y275 N276 A277 P281 Y333 Y336 V338	L46-L279 HydrophobicContact CD1-CD1 4Å; L46-L279 HydrophobicContact CD2-CD1 3.59Å; L46-L279 HydrophobicContact CG-CD1 4.47Å; Y275-L279 HydrophobicContact CE1-CD1 4.25Å; Y275-L279 WeakPolarHBondContact O-CG 3.45Å; N276-L279 WeakPolarHBondContact O-CB 3.45Å; N276-L279 PolarHBondContact O-N 2.88Å; N276-L279 VanDerWaalsContact O-N 3.12Å; A277-L279 PolarHBondContact O-N 3.36Å; L279-P281 WeakPolarHBondContact O-CD 3.31Å; L279-Y333 HydrophobicContact CD2-CD2 4.09Å; L279-Y333 HydrophobicContact CD2-CG 4.5Å; L279-Y336 HydrophobicContact CD2-CD2 4.19Å; L279-V338 HydrophobicContact CD1-CG2 4.15Å; L279-V338 HydrophobicContact CD2-CG2 3.99Å
280	I	97.7	Very high	96.8	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	13%	0.13	C	C	.	.	S	Bend	trans	-78.7	118.3	179.2	-57	177.9	0	0	0	108.4	A277 A283 N291 Q294	A277-I280 WeakPolarHBondContact O-CG1 3.48Å; A277-I280 PolarHBondContact O-N 3.13Å; I280-A283 HydrophobicContact CB-CB 3.98Å; I280-A283 HydrophobicContact CG2-CB 3.76Å; I280-N291 HydrophobicContact CD1-CB 4.05Å; I280-Q294 HydrophobicContact CD1-CB 3.92Å; I280-Q294 HydrophobicContact CD1-CG 3.91Å; I280-Q294 HydrophobicContact CG1-CB 4.37Å; I280-Q294 HydrophobicContact CG1-CG 3.79Å
281	P	97.2	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	135.4	176.3	30.2	-33.9	0	0	0	110	L279 A283 I328 R491 H492 S552	L279-P281 WeakPolarHBondContact O-CD 3.31Å; P281-A283 PolarHBondContact O-N 3.17Å; P281-A283 VanDerWaalsContact O-N 3.13Å; P281-I328 HydrophobicContact CB-CG2 4.18Å; P281-R491 HydrophobicContact CG-CB 3.98Å; P281-H492 PolarHBondContact O-CE1 3.33Å; P281-S552 WeakPolarHBondContact CA-OG 3.45Å; P281-S552 VanDerWaalsContact CB-OG 3.29Å; P281-S552 WeakPolarHBondContact CB-OG 3.1Å
282	F	97	Very high	96.9	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	43.1	175.5	-48	-67.6	0	0	0	113.2	D284 H285 I328 I535 E536 S552 Y557 F567	F282-D284 WeakPolarHBondContact CA-OD1 3.47Å; F282-D284 PolarHBondContact O-N 3.18Å; F282-H285 HydrophobicContact CB-CB 4.33Å; F282-H285 WeakPolarHBondContact O-CB 3.32Å; F282-H285 PolarHBondContact O-N 3.25Å; F282-I328 HydrophobicContact CE2-CG2 3.84Å; F282-I328 HydrophobicContact CZ-CG2 4.3Å; F282-I535 HydrophobicContact CD1-CG2 4.21Å; F282-I535 HydrophobicContact CD2-CB 4.16Å; F282-I535 HydrophobicContact CD2-CG2 3.88Å; F282-I535 HydrophobicContact CE1-CG2 4.04Å; F282-I535 HydrophobicContact CE2-CB 4.36Å; F282-I535 HydrophobicContact CE2-CG2 3.71Å; F282-I535 HydrophobicContact CG-CG2 4.14Å; F282-I535 HydrophobicContact CZ-CG2 3.8Å; F282-E536 HydrophobicContact CE2-CB 4.5Å; F282-S552 PolarHBondContact N-O 2.91Å; F282-Y557 HydrophobicContact CE1-CD2 4.27Å; F282-Y557 AromaticContact CE1-CE2 3.82Å; F282-Y557 HydrophobicContact CE1-CE2 3.82Å; F282-F567 HydrophobicContact CE1-CE2 4.11Å; F282-F567 HydrophobicContact CE1-CZ 4.3Å; F282-F567 AromaticContact CZ-CE2 3.71Å; F282-F567 HydrophobicContact CZ-CE2 3.71Å; F282-F567 AromaticContact CZ-CZ 3.8Å; F282-F567 HydrophobicContact CZ-CZ 3.8Å
283	A	96.5	Very high	96.9	Very high	10 Å²	10	27.8 Å²	27.8	8%	0.083	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-59	-28.8	-176.1	0	0	0	0	0	113.1	I280 P281 H285 N286 N291 P554	I280-A283 HydrophobicContact CB-CB 3.98Å; I280-A283 HydrophobicContact CG2-CB 3.76Å; P281-A283 PolarHBondContact O-N 3.17Å; P281-A283 VanDerWaalsContact O-N 3.13Å; A283-H285 PolarHBondContact O-N 3.45Å; A283-N286 PolarHBondContact O-N 2.94Å; A283-N291 PolarHBondContact O-ND2 3.01Å; A283-P554 HydrophobicContact CB-CG 3.83Å
284	D	96.2	Very high	96.9	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-65.6	-18.1	173.8	55.3	-23.1	0	0	0	114	F282 P554 F555	F282-D284 WeakPolarHBondContact CA-OD1 3.47Å; F282-D284 PolarHBondContact O-N 3.18Å; D284-P554 HydrophobicContact CB-CB 4.26Å; D284-F555 HydrophobicContact CB-CD1 4Å; D284-F555 HydrophobicContact CB-CE1 3.75Å; D284-F555 HydrophobicContact CB-CZ 4.31Å; D284-F555 PolarHBondContact OD2-N 2.73Å
285	H	96.1	Very high	96.9	Very high	59 Å²	59	27.8 Å²	27.8	27%	0.273	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-99.3	4.9	177.6	-64.2	73.8	0	0	0	113.3	F282 A283 V531 G532 I535	F282-H285 HydrophobicContact CB-CB 4.33Å; F282-H285 WeakPolarHBondContact O-CB 3.32Å; F282-H285 PolarHBondContact O-N 3.25Å; A283-H285 PolarHBondContact O-N 3.45Å; H285-V531 WeakPolarHBondContact O-CB 3.46Å; H285-V531 PolarHBondContact O-N 3.43Å; H285-G532 PolarHBondContact O-N 3.38Å; H285-I535 HydrophobicContact CB-CD1 4.08Å; H285-I535 WeakPolarHBondContact CD2-CD1 3.36Å
286	N	96.6	Very high	96.9	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.08	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-109.3	148.5	176.3	-54.3	-44.5	0	0	0	110.4	A283 S288 R290 N291 H492 G532	A283-N286 PolarHBondContact O-N 2.94Å; N286-S288 PolarHBondContact O-N 3.46Å; N286-R290 HydrophobicContact CB-CB 4.37Å; N286-N291 WeakPolarHBondContact CB-OD1 3.22Å; N286-N291 PolarHBondContact ND2-OD1 2.98Å; N286-H492 PolarHBondContact ND2-ND1 3.19Å; N286-H492 VanDerWaalsContact ND2-ND1 3.1Å; N286-H492 PolarHBondContact OD1-ND1 3.1Å; N286-G532 WeakPolarHBondContact OD1-CA 3.33Å; N286-G532 PolarHBondContact OD1-N 2.85Å
287	Q	97.1	Very high	96.8	Very high	81 Å²	81	28.5 Å²	28.5	38%	0.379	15%	0.149	S	C	.	.			trans	-59	139.2	166.2	-157.5	-168.5	27.4	0	0	110.8	P289 R290 M529	Q287-P289 VanDerWaalsContact O-N 3.15Å; Q287-R290 HydrophobicContact CB-CG 4.21Å; Q287-R290 VanDerWaalsContact O-CB 3.27Å; Q287-R290 WeakPolarHBondContact O-CB 3.33Å; Q287-R290 PolarHBondContact O-N 3.37Å; Q287-M529 HydrophobicContact CB-CB 4.41Å; Q287-M529 PolarHBondContact N-O 3.37Å
288	S	96.4	Very high	96.7	Very high	84 Å²	84	28.8 Å²	28.8	59%	0.587	15%	0.15	S	C	*	.	H	α-helix	trans	-52.7	-40	-172.4	87	0	0	0	0	115.6	N286 R290 N291 V292	N286-S288 PolarHBondContact O-N 3.46Å; S288-R290 PolarHBondContact O-N 3.12Å; S288-R290 VanDerWaalsContact O-N 3.15Å; S288-N291 PolarHBondContact O-N 3.32Å; S288-N291 VanDerWaalsContact O-N 3.13Å; S288-V292 WeakPolarHBondContact O-CG2 3.36Å; S288-V292 PolarHBondContact O-N 3.27Å
289	P	96.4	Very high	96.7	Very high	44 Å²	44	28.9 Å²	28.9	29%	0.286	15%	0.151	S	C	.	.	H	α-helix	trans	-62.4	-26.6	179.8	-22.6	35.5	0	0	0	112.8	Q287 V292 Y293	Q287-P289 VanDerWaalsContact O-N 3.15Å; P289-V292 WeakPolarHBondContact O-CB 3.33Å; P289-V292 PolarHBondContact O-N 3.28Å; P289-Y293 WeakPolarHBondContact O-CB 3.22Å; P289-Y293 WeakPolarHBondContact O-CD1 3.44Å; P289-Y293 VanDerWaalsContact O-CG 3.23Å; P289-Y293 PolarHBondContact O-N 2.93Å
290	R	96.4	Very high	96.6	Very high	38 Å²	38	29.9 Å²	29.9	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-71.2	-37.7	179.4	-55.5	-64.8	169.6	-124.4	-1.9	111.5	N286 Q287 S288 V292 Y293 Q294 H492 R528 T530	N286-R290 HydrophobicContact CB-CB 4.37Å; Q287-R290 HydrophobicContact CB-CG 4.21Å; Q287-R290 VanDerWaalsContact O-CB 3.27Å; Q287-R290 WeakPolarHBondContact O-CB 3.33Å; Q287-R290 PolarHBondContact O-N 3.37Å; S288-R290 PolarHBondContact O-N 3.12Å; S288-R290 VanDerWaalsContact O-N 3.15Å; R290-V292 VanDerWaalsContact C-N 3.35Å; R290-Y293 PolarHBondContact O-N 3.21Å; R290-Q294 WeakPolarHBondContact O-CB 3.32Å; R290-Q294 PolarHBondContact O-N 3.47Å; R290-H492 WeakPolarHBondContact CB-O 3.29Å; R290-R528 PolarHBondContact NE-O 2.93Å; R290-T530 HydrophobicContact CB-CG2 3.97Å; R290-T530 HydrophobicContact CG-CG2 3.63Å
291	N	97.7	Very high	96.5	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-38.9	173.7	-63.2	-30	0	0	0	111.2	V83 I280 A283 N286 S288 Q294 C295	V83-N291 HydrophobicContact CG1-CB 3.47Å; V83-N291 VanDerWaalsContact CG1-CB 3.47Å; V83-N291 WeakPolarHBondContact CG1-O 3.45Å; V83-N291 HydrophobicContact CG2-CB 4.38Å; I280-N291 HydrophobicContact CD1-CB 4.05Å; A283-N291 PolarHBondContact O-ND2 3.01Å; N286-N291 WeakPolarHBondContact CB-OD1 3.22Å; N286-N291 PolarHBondContact ND2-OD1 2.98Å; S288-N291 PolarHBondContact O-N 3.32Å; S288-N291 VanDerWaalsContact O-N 3.13Å; N291-Q294 PolarHBondContact O-N 3.27Å; N291-C295 PolarHBondContact O-N 3.01Å; N291-C295 VanDerWaalsContact O-N 3.1Å; N291-C295 PolarHBondContact O-SG 3.44Å
292	V	97.3	Very high	96.3	Very high	24 Å²	24	29.7 Å²	29.7	15%	0.145	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-50.6	173.8	179.3	0	0	0	0	110.1	V83 T85 S288 P289 R290 Q294 C295 Q296	V83-V292 HydrophobicContact CG1-CG2 4.43Å; V83-V292 WeakPolarHBondContact O-CA 3.28Å; V83-V292 WeakPolarHBondContact O-CG2 3.3Å; T85-V292 HydrophobicContact CG2-CG1 4.08Å; T85-V292 VanDerWaalsContact O-CG1 3.24Å; T85-V292 WeakPolarHBondContact O-CG1 3.24Å; S288-V292 WeakPolarHBondContact O-CG2 3.36Å; S288-V292 PolarHBondContact O-N 3.27Å; P289-V292 WeakPolarHBondContact O-CB 3.33Å; P289-V292 PolarHBondContact O-N 3.28Å; R290-V292 VanDerWaalsContact C-N 3.35Å; V292-Q294 VanDerWaalsContact C-N 3.29Å; V292-Q294 PolarHBondContact O-N 2.93Å; V292-C295 WeakPolarHBondContact O-CB 3.46Å; V292-C295 PolarHBondContact O-N 2.83Å; V292-C295 VanDerWaalsContact O-N 3.16Å; V292-Q296 PolarHBondContact O-N 3.42Å
293	Y	96.8	Very high	96.1	Very high	92 Å²	92	29.6 Å²	29.6	36%	0.361	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-39	177.4	-69.8	-6.9	0	0	0	112	D87 P289 R290 C295 Q296 M297	D87-Y293 HydrophobicContact CB-CE1 4.22Å; P289-Y293 WeakPolarHBondContact O-CB 3.22Å; P289-Y293 WeakPolarHBondContact O-CD1 3.44Å; P289-Y293 VanDerWaalsContact O-CG 3.23Å; P289-Y293 PolarHBondContact O-N 2.93Å; R290-Y293 PolarHBondContact O-N 3.21Å; Y293-C295 VanDerWaalsContact C-N 3.32Å; Y293-C295 PolarHBondContact O-N 2.7Å; Y293-Q296 WeakPolarHBondContact O-CB 3.3Å; Y293-Q296 PolarHBondContact O-N 2.92Å; Y293-Q296 VanDerWaalsContact O-N 3.11Å; Y293-M297 WeakPolarHBondContact O-CG 3.2Å; Y293-M297 PolarHBondContact O-N 3.24Å
294	Q	97.6	Very high	96	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-43.1	176.6	178.4	56.4	21.5	0	0	111.9	I280 R290 N291 V292 Q296 M297 A298 S490 R491 Q605	I280-Q294 HydrophobicContact CD1-CB 3.92Å; I280-Q294 HydrophobicContact CD1-CG 3.91Å; I280-Q294 HydrophobicContact CG1-CB 4.37Å; I280-Q294 HydrophobicContact CG1-CG 3.79Å; R290-Q294 WeakPolarHBondContact O-CB 3.32Å; R290-Q294 PolarHBondContact O-N 3.47Å; N291-Q294 PolarHBondContact O-N 3.27Å; V292-Q294 VanDerWaalsContact C-N 3.29Å; V292-Q294 PolarHBondContact O-N 2.93Å; Q294-Q296 PolarHBondContact O-N 2.81Å; Q294-M297 PolarHBondContact O-N 2.73Å; Q294-A298 WeakPolarHBondContact O-CB 3.37Å; Q294-A298 PolarHBondContact O-N 2.8Å; Q294-S490 PolarHBondContact OE1-O 3.2Å; Q294-R491 VanDerWaalsContact CD-CA 3.43Å; Q294-R491 WeakPolarHBondContact CG-O 3.34Å; Q294-Q605 VanDerWaalsContact NE2-OE1 3.13Å
295	C	97.2	Very high	95.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-34.6	177.2	-70.5	0	0	0	0	111.9	H84 N291 V292 Y293 K299	H84-C295 HydrophobicContact CB-CB 4.48Å; N291-C295 PolarHBondContact O-N 3.01Å; N291-C295 VanDerWaalsContact O-N 3.1Å; N291-C295 PolarHBondContact O-SG 3.44Å; V292-C295 WeakPolarHBondContact O-CB 3.46Å; V292-C295 PolarHBondContact O-N 2.83Å; V292-C295 VanDerWaalsContact O-N 3.16Å; Y293-C295 VanDerWaalsContact C-N 3.32Å; Y293-C295 PolarHBondContact O-N 2.7Å; C295-K299 VanDerWaalsContact O-CE 3.29Å; C295-K299 WeakPolarHBondContact O-CE 3.33Å; C295-K299 WeakPolarHBondContact O-CG 3.49Å
296	Q	95.9	Very high	95.7	Very high	27 Å²	27	24.8 Å²	24.8	13%	0.126	13%	0.13	C	C	.	.	H	α-helix	trans	-75.4	-44.1	175.3	-172.8	-178.2	-4.2	0	0	112.6	D87 V292 Y293 Q294 K299 Q300	D87-Q296 PolarHBondContact OD1-NE2 2.88Å; D87-Q296 PolarHBondContact OD1-OE1 2.69Å; V292-Q296 PolarHBondContact O-N 3.42Å; Y293-Q296 WeakPolarHBondContact O-CB 3.3Å; Y293-Q296 PolarHBondContact O-N 2.92Å; Y293-Q296 VanDerWaalsContact O-N 3.11Å; Q294-Q296 PolarHBondContact O-N 2.81Å; Q296-K299 WeakPolarHBondContact O-CB 3.45Å; Q296-K299 PolarHBondContact O-N 2.87Å; Q296-Q300 WeakPolarHBondContact O-CG 3.25Å; Q296-Q300 PolarHBondContact O-N 3.16Å
297	M	95.9	Very high	95.5	Very high	22 Å²	22	29.7 Å²	29.7	11%	0.108	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-44.4	178.9	-67.4	-50.4	103.4	0	0	110.5	Y293 Q294 K299 Q300 T301 A489 K495 L607	Y293-M297 WeakPolarHBondContact O-CG 3.2Å; Y293-M297 PolarHBondContact O-N 3.24Å; Q294-M297 PolarHBondContact O-N 2.73Å; M297-K299 PolarHBondContact O-N 3.45Å; M297-Q300 CarbonylContact O-C 3.54Å; M297-Q300 WeakPolarHBondContact O-CA 3.36Å; M297-Q300 PolarHBondContact O-N 3.46Å; M297-T301 WeakPolarHBondContact O-CG2 3.49Å; M297-T301 PolarHBondContact O-N 2.95Å; M297-T301 VanDerWaalsContact O-N 3.12Å; M297-A489 HydrophobicContact CB-CB 4.49Å; M297-K495 HydrophobicContact SD-CD 4.17Å; M297-L607 HydrophobicContact CB-CD2 4.35Å; M297-L607 HydrophobicContact SD-CD1 3.74Å
298	A	95.3	Very high	95.4	Very high	6 Å²	6	28.4 Å²	28.4	5%	0.05	16%	0.155	C	C	.	.	H	α-helix	trans	-54.2	-36	174.7	0	0	0	0	0	112.6	N44 L46 Q294 Q300 T301	N44-A298 PolarHBondContact ND2-O 2.94Å; L46-A298 HydrophobicContact CD1-CB 4Å; Q294-A298 WeakPolarHBondContact O-CB 3.37Å; Q294-A298 PolarHBondContact O-N 2.8Å; A298-Q300 VanDerWaalsContact C-N 3.3Å; A298-Q300 PolarHBondContact O-N 3.14Å; A298-T301 PolarHBondContact O-OG1 3.3Å
299	K	95.7	Very high	95.2	Very high	10 Å²	10	25 Å²	25	4%	0.043	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.6	175.3	-73.6	-175.2	-61.2	-162.7	0	114	R47 S50 H84 H96 C295 Q296 M297	R47-K299 HydrophobicContact CB-CB 4.42Å; S50-K299 VanDerWaalsContact OG-CD 3.24Å; S50-K299 WeakPolarHBondContact OG-CD 3.31Å; H84-K299 WeakPolarHBondContact NE2-CE 3.5Å; H84-K299 PolarHBondContact NE2-NZ 2.91Å; H96-K299 PolarHBondContact CE1-NZ 3.24Å; C295-K299 VanDerWaalsContact O-CE 3.29Å; C295-K299 WeakPolarHBondContact O-CE 3.33Å; C295-K299 WeakPolarHBondContact O-CG 3.49Å; Q296-K299 WeakPolarHBondContact O-CB 3.45Å; Q296-K299 PolarHBondContact O-N 2.87Å; M297-K299 PolarHBondContact O-N 3.45Å
300	Q	94.7	Very high	94.9	Very high	35 Å²	35	26.5 Å²	26.5	16%	0.164	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-0.5	-178.4	-65.2	-177.8	21.1	0	0	113.4	Q296 M297 A298 R608 H609	Q296-Q300 WeakPolarHBondContact O-CG 3.25Å; Q296-Q300 PolarHBondContact O-N 3.16Å; M297-Q300 CarbonylContact O-C 3.54Å; M297-Q300 WeakPolarHBondContact O-CA 3.36Å; M297-Q300 PolarHBondContact O-N 3.46Å; A298-Q300 VanDerWaalsContact C-N 3.3Å; A298-Q300 PolarHBondContact O-N 3.14Å; Q300-R608 WeakPolarHBondContact O-CB 3.31Å; Q300-R608 WeakPolarHBondContact O-CG 3.42Å; Q300-R608 PolarHBondContact O-N 3.4Å; Q300-H609 PolarHBondContact OE1-CE1 3.16Å
301	T	95.6	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-71.5	151.3	179.5	72.3	0	0	0	0	111.7	N44 M297 A298 Q605 R606 L607	N44-T301 PolarHBondContact ND2-N 3.15Å; N44-T301 PolarHBondContact ND2-O 3.4Å; N44-T301 PolarHBondContact ND2-OG1 2.91Å; M297-T301 WeakPolarHBondContact O-CG2 3.49Å; M297-T301 PolarHBondContact O-N 2.95Å; M297-T301 VanDerWaalsContact O-N 3.12Å; A298-T301 PolarHBondContact O-OG1 3.3Å; T301-Q605 HydrophobicContact CG2-CB 3.56Å; T301-Q605 HydrophobicContact CG2-CG 4.06Å; T301-R606 CarbonylContact C-O 3.55Å; T301-R606 VanDerWaalsContact CA-O 3.3Å; T301-R606 WeakPolarHBondContact CA-O 3.42Å; T301-L607 HydrophobicContact CG2-CD2 3.98Å
302	M	93.8	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.			trans	-84.8	118.9	162.7	-57.6	-169.7	-76.5	0	0	107.6	Y318 A377 R606 R608	M302-Y318 HydrophobicContact CG-CD1 4.08Å; M302-Y318 HydrophobicContact CG-CG 4.18Å; M302-Y318 HydrophobicContact SD-CD1 3.74Å; M302-Y318 HydrophobicContact SD-CG 4.35Å; M302-A377 HydrophobicContact CE-CB 4Å; M302-A377 HydrophobicContact SD-CB 4.06Å; M302-R606 HydrophobicContact CE-CB 4.1Å; M302-R606 HydrophobicContact CE-CG 3.41Å; M302-R606 VanDerWaalsContact CE-CG 3.41Å; M302-R606 VanDerWaalsContact CE-NE 3.32Å; M302-R606 PolarHBondContact N-O 3.21Å; M302-R608 HydrophobicContact CG-CB 4.15Å
303	G	92.8	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.			trans	-136.6	-138.1	178.8	0	0	0	0	0	110	P305 R319 L320 P342	G303-P305 WeakPolarHBondContact O-CD 3.39Å; G303-R319 CarbonylContact O-C 3.48Å; G303-R319 VanDerWaalsContact O-CA 3.32Å; G303-R319 WeakPolarHBondContact O-CA 3.44Å; G303-L320 PolarHBondContact O-N 3.24Å; G303-P342 CarbonylContact C-O 3.48Å; G303-P342 WeakPolarHBondContact CA-O 3.16Å
304	T	94.4	Very high	94.2	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.086	18%	0.177	C	C	.	.			trans	-102.9	108.5	170.6	-56.5	0	0	0	0	109.7	L307 Y341 P342	T304-L307 HydrophobicContact CG2-CD2 4.04Å; T304-Y341 HydrophobicContact CG2-CD1 4.31Å; T304-P342 PolarHBondContact N-O 2.91Å; T304-P342 VanDerWaalsContact N-O 3.08Å; T304-P342 PolarHBondContact OG1-O 2.86Å
305	P	94.3	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.			trans	-81.1	-31.1	-174.3	29.5	-34.1	0	0	0	113.8	R42 G303 I309 L317 Y318	R42-P305 PolarHBondContact NH1-O 3.4Å; R42-P305 WeakPolarHBondContact O-CB 3.42Å; G303-P305 WeakPolarHBondContact O-CD 3.39Å; P305-I309 HydrophobicContact CG-CD1 4.41Å; P305-L317 HydrophobicContact CB-CD2 4.3Å; P305-L317 HydrophobicContact CG-CB 4.33Å; P305-Y318 VanDerWaalsContact CD-O 3.31Å; P305-Y318 WeakPolarHBondContact CD-O 3.41Å; P305-Y318 WeakPolarHBondContact CG-O 3.49Å
306	S	92.3	Very high	93.8	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.063	22%	0.223	C	C	.	.			trans	-161.9	154.3	175.9	-169.3	0	0	0	0	108.8	S308 I309	S306-S308 PolarHBondContact OG-N 2.94Å; S306-S308 PolarHBondContact OG-OG 3.25Å; S306-I309 WeakPolarHBondContact O-CD1 3.47Å; S306-I309 VanDerWaalsContact O-CG1 3.28Å; S306-I309 WeakPolarHBondContact O-CG1 3.28Å
307	L	92.5	Very high	93.7	Very high	118 Å²	118	41.5 Å²	41.5	62%	0.618	22%	0.219	S	C	*	.	S	Bend	trans	-84.1	-25.3	169	-59.5	177.8	0	0	0	111.6	T304 I309 Y341	T304-L307 HydrophobicContact CG2-CD2 4.04Å; L307-I309 VanDerWaalsContact C-N 3.31Å; L307-I309 PolarHBondContact O-N 2.78Å; L307-Y341 HydrophobicContact CG-CE1 4.1Å
308	S	94.1	Very high	93.7	Very high	53 Å²	53	41.4 Å²	41.4	37%	0.371	22%	0.218	S	C	.	.			trans	-89.4	29.4	-177	59	0	0	0	0	114.6	S306 P310 Y311 R312	S306-S308 PolarHBondContact OG-N 2.94Å; S306-S308 PolarHBondContact OG-OG 3.25Å; S308-P310 VanDerWaalsContact C-N 3.35Å; S308-Y311 PolarHBondContact O-N 3.13Å; S308-R312 WeakPolarHBondContact O-CG 3.37Å
309	I	92	Very high	93.7	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.062	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-48.8	-45.1	-174.8	-63.5	171.7	0	0	0	113.6	P305 S306 L307 Y311 R312 L317 R319 Y380	P305-I309 HydrophobicContact CG-CD1 4.41Å; S306-I309 WeakPolarHBondContact O-CD1 3.47Å; S306-I309 VanDerWaalsContact O-CG1 3.28Å; S306-I309 WeakPolarHBondContact O-CG1 3.28Å; L307-I309 VanDerWaalsContact C-N 3.31Å; L307-I309 PolarHBondContact O-N 2.78Å; I309-Y311 PolarHBondContact O-N 3.45Å; I309-Y311 VanDerWaalsContact O-N 3.11Å; I309-R312 PolarHBondContact O-N 2.88Å; I309-L317 HydrophobicContact CG2-CD1 4.47Å; I309-R319 HydrophobicContact CD1-CG 4.37Å; I309-Y380 HydrophobicContact CD1-CE2 4.29Å; I309-Y380 HydrophobicContact CG2-CD1 4.29Å; I309-Y380 HydrophobicContact CG2-CD2 4.18Å; I309-Y380 HydrophobicContact CG2-CE1 4.17Å; I309-Y380 HydrophobicContact CG2-CE2 4.06Å; I309-Y380 HydrophobicContact CG2-CG 4.28Å
310	P	91.4	Very high	93.7	Very high	77 Å²	77	45.1 Å²	45.1	50%	0.5	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.8	-31.3	-178.8	-26.5	36.1	0	0	0	113.8	S308 K458	S308-P310 VanDerWaalsContact C-N 3.35Å; P310-K458 VanDerWaalsContact O-CE 3.3Å; P310-K458 WeakPolarHBondContact O-CE 3.3Å; P310-K458 PolarHBondContact O-NZ 3.44Å
311	Y	93.7	Very high	93.7	Very high	201 Å²	201	47.4 Å²	47.4	79%	0.788	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-86.7	-7.9	-177.9	-53.6	-66.6	0	0	0	113.4	S308 I309 K458	S308-Y311 PolarHBondContact O-N 3.13Å; I309-Y311 PolarHBondContact O-N 3.45Å; I309-Y311 VanDerWaalsContact O-N 3.11Å; Y311-K458 PolarHBondContact O-NZ 2.95Å; Y311-K458 VanDerWaalsContact O-NZ 3.14Å
312	R	93.3	Very high	93.7	Very high	68 Å²	68	51 Å²	51	26%	0.257	27%	0.265	S	S	.	.			trans	-97.2	160.6	-177.5	-54.3	-161.9	73.4	-126.6	-8.3	113.4	S308 I309 D314 K458	S308-R312 WeakPolarHBondContact O-CG 3.37Å; I309-R312 PolarHBondContact O-N 2.88Å; R312-D314 WeakPolarHBondContact CB-OD2 3.46Å; R312-D314 VanDerWaalsContact CZ-CG 3.43Å; R312-D314 IonicContact CZ-OD1 2.84Å; R312-D314 IonicContact CZ-OD2 3.82Å; R312-D314 IonicContact NE-OD2 2.74Å; R312-D314 IonicContact NH1-OD1 2.79Å; R312-D314 PolarHBondContact NH1-OD1 3.09Å; R312-D314 IonicContact NH1-OD2 3.5Å; R312-D314 PolarHBondContact NH1-OD2 3.1Å; R312-D314 IonicContact NH2-OD1 2.66Å; R312-D314 PolarHBondContact NH2-OD1 3.23Å; R312-D314 IonicContact NH2-OD2 3.12Å; R312-D314 PolarHBondContact NH2-OD2 3.16Å; R312-K458 PolarHBondContact O-NZ 3.07Å
313	A	92.6	Very high	93.7	Very high	29 Å²	29	52.7 Å²	52.7	24%	0.24	28%	0.276	C	S	.	.			trans	-141.4	48.6	-177.5	0	0	0	0	0	110.6	R384	A313-R384 PolarHBondContact O-NH2 3.08Å
314	D	93.4	Very high	93.9	Very high	38 Å²	38	56.8 Å²	56.8	20%	0.203	30%	0.295	C	S	.	.			trans	-75.1	151	177.4	-54.2	-95.2	0	0	0	111.8	R312 K316 L317 S382	R312-D314 WeakPolarHBondContact CB-OD2 3.46Å; R312-D314 VanDerWaalsContact CZ-CG 3.43Å; R312-D314 IonicContact CZ-OD1 2.84Å; R312-D314 IonicContact CZ-OD2 3.82Å; R312-D314 IonicContact NE-OD2 2.74Å; R312-D314 IonicContact NH1-OD1 2.79Å; R312-D314 PolarHBondContact NH1-OD1 3.09Å; R312-D314 IonicContact NH1-OD2 3.5Å; R312-D314 PolarHBondContact NH1-OD2 3.1Å; R312-D314 IonicContact NH2-OD1 2.66Å; R312-D314 PolarHBondContact NH2-OD1 3.23Å; R312-D314 IonicContact NH2-OD2 3.12Å; R312-D314 PolarHBondContact NH2-OD2 3.16Å; D314-K316 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 3.32Å; D314-L317 HydrophobicContact CB-CD1 4.29Å; D314-L317 HydrophobicContact CB-CD2 3.91Å; D314-L317 HydrophobicContact CB-CG 3.87Å; D314-S382 VanDerWaalsContact O-CB 3.26Å; D314-S382 WeakPolarHBondContact O-CB 3.39Å; D314-S382 PolarHBondContact O-N 2.84Å; D314-S382 PolarHBondContact O-OG 2.87Å
315	S	92.6	Very high	93.9	Very high	100 Å²	100	58 Å²	58	70%	0.699	31%	0.305	S	S	*	.	S	Bend	trans	-60.2	-39.6	179.2	-52.4	0	0	0	0	113.3	K381 S382	S315-K381 WeakPolarHBondContact O-CA 3.39Å; S315-S382 PolarHBondContact O-N 2.91Å
316	K	92.7	Very high	94	Very high	72 Å²	72	58.1 Å²	58.1	31%	0.313	31%	0.305	S	S	.	.			trans	-152.9	128.7	176.7	-159.9	171.8	-176.6	-168.5	0	110.5	D314 Y318 I379 Y380 D613	D314-K316 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 3.32Å; K316-Y318 HydrophobicContact CD-CE1 4.33Å; K316-Y318 HydrophobicContact CD-CE2 4.11Å; K316-Y318 VanDerWaalsContact CD-OH 3.27Å; K316-Y318 WeakPolarHBondContact CD-OH 3.42Å; K316-Y318 VanDerWaalsContact CE-CZ 3.43Å; K316-Y318 WeakPolarHBondContact CE-OH 3.17Å; K316-Y318 HydrophobicContact CG-CE2 4.09Å; K316-Y318 PolarHBondContact NZ-OH 3.18Å; K316-I379 HydrophobicContact CD-CG2 4.23Å; K316-I379 HydrophobicContact CG-CG2 3.67Å; K316-Y380 CarbonylContact C-O 3.21Å; K316-Y380 VanDerWaalsContact CA-O 3.24Å; K316-Y380 WeakPolarHBondContact CA-O 3.36Å; K316-D613 IonicContact NZ-OD2 3.72Å; K316-D613 PolarHBondContact NZ-OD2 2.7Å
317	L	94.9	Very high	94.2	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.3	169.8	-62	172.2	0	0	0	109.6	R42 P305 I309 D314 I379 Y380	R42-L317 HydrophobicContact CB-CD2 4.22Å; R42-L317 WeakPolarHBondContact O-CD2 3.25Å; P305-L317 HydrophobicContact CB-CD2 4.3Å; P305-L317 HydrophobicContact CG-CB 4.33Å; I309-L317 HydrophobicContact CG2-CD1 4.47Å; D314-L317 HydrophobicContact CB-CD1 4.29Å; D314-L317 HydrophobicContact CB-CD2 3.91Å; D314-L317 HydrophobicContact CB-CG 3.87Å; L317-I379 CarbonylContact O-C 3.57Å; L317-I379 VanDerWaalsContact O-CA 3.25Å; L317-I379 WeakPolarHBondContact O-CA 3.48Å; L317-Y380 HydrophobicContact CB-CD2 4.43Å; L317-Y380 PolarHBondContact N-O 3.47Å; L317-Y380 PolarHBondContact O-N 2.81Å
318	Y	95.6	Very high	94.4	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.078	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123	176.4	-57.1	-97.1	0	0	0	108.5	L43 M302 P305 K316 I379 R608 M610	L43-Y318 HydrophobicContact CD2-CD2 3.77Å; L43-Y318 HydrophobicContact CD2-CE2 3.53Å; M302-Y318 HydrophobicContact CG-CD1 4.08Å; M302-Y318 HydrophobicContact CG-CG 4.18Å; M302-Y318 HydrophobicContact SD-CD1 3.74Å; M302-Y318 HydrophobicContact SD-CG 4.35Å; P305-Y318 VanDerWaalsContact CD-O 3.31Å; P305-Y318 WeakPolarHBondContact CD-O 3.41Å; P305-Y318 WeakPolarHBondContact CG-O 3.49Å; K316-Y318 HydrophobicContact CD-CE1 4.33Å; K316-Y318 HydrophobicContact CD-CE2 4.11Å; K316-Y318 VanDerWaalsContact CD-OH 3.27Å; K316-Y318 WeakPolarHBondContact CD-OH 3.42Å; K316-Y318 VanDerWaalsContact CE-CZ 3.43Å; K316-Y318 WeakPolarHBondContact CE-OH 3.17Å; K316-Y318 HydrophobicContact CG-CE2 4.09Å; K316-Y318 PolarHBondContact NZ-OH 3.18Å; Y318-I379 HydrophobicContact CD1-CD1 3.59Å; Y318-I379 HydrophobicContact CD1-CG1 3.68Å; Y318-I379 HydrophobicContact CE1-CD1 3.51Å; Y318-I379 HydrophobicContact CE1-CG1 4.09Å; Y318-R608 HydrophobicContact CD1-CB 4.17Å; Y318-R608 HydrophobicContact CE1-CB 3.98Å; Y318-R608 HydrophobicContact CE2-CB 4.4Å; Y318-R608 HydrophobicContact CG-CB 4.44Å; Y318-M610 HydrophobicContact CE1-CE 4.34Å
319	R	95.7	Very high	94.4	Very high	93 Å²	93	53.1 Å²	53.1	35%	0.351	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.5	-178.4	-178.5	-176.3	-179.4	178.1	0.8	110.1	G303 I309 A377 V378 Y380	G303-R319 CarbonylContact O-C 3.48Å; G303-R319 VanDerWaalsContact O-CA 3.32Å; G303-R319 WeakPolarHBondContact O-CA 3.44Å; I309-R319 HydrophobicContact CD1-CG 4.37Å; R319-A377 CarbonylContact O-C 3.43Å; R319-A377 VanDerWaalsContact O-CA 3.23Å; R319-A377 WeakPolarHBondContact O-CA 3.33Å; R319-A377 WeakPolarHBondContact O-CB 3.44Å; R319-V378 PolarHBondContact N-O 3.34Å; R319-V378 PolarHBondContact O-N 3.13Å; R319-Y380 HydrophobicContact CB-CE2 3.98Å; R319-Y380 PolarHBondContact NH1-OH 2.82Å
320	L	95.3	Very high	94.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.2	165.5	-160.6	66.5	0	0	0	109.3	G303 P323 T345 A375 N376 A377	G303-L320 PolarHBondContact O-N 3.24Å; L320-P323 HydrophobicContact CB-CB 4.38Å; L320-P323 HydrophobicContact CD2-CB 3.95Å; L320-P323 HydrophobicContact CG-CB 4.44Å; L320-T345 HydrophobicContact CD2-CG2 4.32Å; L320-A375 HydrophobicContact CD1-CB 4.46Å; L320-N376 WeakPolarHBondContact CD1-O 3.26Å; L320-A377 HydrophobicContact CD1-CB 4.29Å
321	L	94.7	Very high	94.8	Very high	82 Å²	82	52.6 Å²	52.6	43%	0.429	27%	0.268	S	S	.	.	S	Bend	trans	-81.9	-41.6	-174.9	-72.5	-178.8	0	0	0	113	P323 N376 V378	L321-P323 VanDerWaalsContact O-CD 3.3Å; L321-P323 WeakPolarHBondContact O-CD 3.47Å; L321-N376 WeakPolarHBondContact CB-O 3.37Å; L321-N376 HydrophobicContact CD1-CB 4.17Å; L321-N376 PolarHBondContact N-O 2.65Å; L321-V378 HydrophobicContact CD1-CG2 3.84Å; L321-V378 HydrophobicContact CD2-CB 4.34Å; L321-V378 HydrophobicContact CD2-CG2 3.71Å; L321-V378 HydrophobicContact CG-CG2 3.9Å
322	T	95.2	Very high	94.9	Very high	75 Å²	75	43.3 Å²	43.3	46%	0.46	23%	0.233	S	C	.	.	S	Bend	trans	-122	59.2	-177.2	55.2	0	0	0	0	111.1	T345 G373	T322-T345 WeakPolarHBondContact O-CG2 3.16Å; T322-G373 PolarHBondContact OG1-O 2.86Å
323	P	94.7	Very high	95	Very high	37 Å²	37	40.5 Å²	40.5	24%	0.24	22%	0.223	C	C	.	.			trans	-70.9	150.6	177.4	35.8	-38.2	0	0	0	110.6	L320 L321 P342 G344	L320-P323 HydrophobicContact CB-CB 4.38Å; L320-P323 HydrophobicContact CD2-CB 3.95Å; L320-P323 HydrophobicContact CG-CB 4.44Å; L321-P323 VanDerWaalsContact O-CD 3.3Å; L321-P323 WeakPolarHBondContact O-CD 3.47Å; P323-P342 HydrophobicContact CB-CB 3.8Å; P323-P342 HydrophobicContact CB-CG 3.56Å; P323-P342 HydrophobicContact CG-CB 4.36Å; P323-P342 HydrophobicContact CG-CG 3.55Å; P323-G344 CarbonylContact C-O 3.48Å; P323-G344 WeakPolarHBondContact CA-O 3.5Å
324	Q	95.9	Very high	95.1	Very high	85 Å²	85	42.5 Å²	42.5	40%	0.397	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-124.1	156.1	179.5	-63.2	173.9	-10.6	0	0	110.9	G344 T345 N346 Y603	Q324-G344 PolarHBondContact N-O 3.34Å; Q324-T345 HydrophobicContact CG-CG2 4.4Å; Q324-N346 PolarHBondContact OE1-ND2 3.04Å; Q324-Y603 WeakPolarHBondContact O-CE2 3.45Å; Q324-Y603 PolarHBondContact O-OH 2.77Å
325	S	95.1	Very high	95.2	Very high	40 Å²	40	48 Å²	48	28%	0.28	25%	0.251	S	S	.	.			trans	-71	136.3	164.8	-168.8	0	0	0	0	109.3	L327 R329 D339 N346	S325-L327 PolarHBondContact O-N 3.18Å; S325-R329 PolarHBondContact OG-NH1 3.46Å; S325-D339 WeakPolarHBondContact CB-OD1 3.23Å; S325-D339 PolarHBondContact OG-OD1 3.25Å; S325-N346 PolarHBondContact O-ND2 3.38Å
326	P	96.5	Very high	95.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.013	23%	0.226	C	C	.	.			trans	-66	132.4	173.2	26.6	-31.8	0	0	0	110.5	I328 R329 Y333 Y603	P326-I328 PolarHBondContact O-N 2.82Å; P326-R329 HydrophobicContact CG-CB 4.07Å; P326-Y333 VanDerWaalsContact CD-CZ 3.48Å; P326-Y333 VanDerWaalsContact CD-OH 3.28Å; P326-Y333 WeakPolarHBondContact CD-OH 3.45Å; P326-Y333 HydrophobicContact CG-CD2 4.16Å; P326-Y333 HydrophobicContact CG-CE1 4.26Å; P326-Y333 HydrophobicContact CG-CE2 3.65Å; P326-Y603 HydrophobicContact CB-CD1 4.4Å; P326-Y603 HydrophobicContact CB-CD2 3.57Å; P326-Y603 HydrophobicContact CB-CE2 3.87Å; P326-Y603 HydrophobicContact CB-CG 3.83Å; P326-Y603 HydrophobicContact CG-CE2 4.41Å
327	L	95.4	Very high	95.4	Very high	46 Å²	46	48.7 Å²	48.7	24%	0.241	24%	0.241	C	C	.	.	S	Bend	trans	-61.5	-36.9	173.3	-67.1	175.4	0	0	0	111.5	S325 N346 A543 K549 L550 V601	S325-L327 PolarHBondContact O-N 3.18Å; L327-N346 PolarHBondContact N-OD1 2.84Å; L327-A543 HydrophobicContact CB-CB 4.07Å; L327-K549 WeakPolarHBondContact O-CA 3.36Å; L327-L550 PolarHBondContact O-N 2.65Å; L327-L550 VanDerWaalsContact O-N 3.16Å; L327-V601 HydrophobicContact CD1-CG1 4.1Å
328	I	96.6	Very high	95.4	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.6	-177.8	-72.9	22.9	0	0	0	107	P281 F282 P326 R491 E536 A539 G540 A543 L550 S552	P281-I328 HydrophobicContact CB-CG2 4.18Å; F282-I328 HydrophobicContact CE2-CG2 3.84Å; F282-I328 HydrophobicContact CZ-CG2 4.3Å; P326-I328 PolarHBondContact O-N 2.82Å; I328-R491 VanDerWaalsContact O-CZ 3.3Å; I328-R491 PolarHBondContact O-NH1 3.1Å; I328-R491 PolarHBondContact O-NH2 3.22Å; I328-E536 HydrophobicContact CB-CG 4.26Å; I328-E536 HydrophobicContact CG2-CG 4.19Å; I328-A539 HydrophobicContact CD1-CB 4.18Å; I328-A539 HydrophobicContact CG1-CB 3.62Å; I328-G540 VanDerWaalsContact CD1-CA 3.43Å; I328-A543 HydrophobicContact CD1-CB 3.5Å; I328-L550 HydrophobicContact CD1-CB 4.08Å; I328-L550 HydrophobicContact CD1-CD1 4.48Å; I328-S552 VanDerWaalsContact CG2-CB 3.41Å
329	R	95	Very high	95.4	Very high	26 Å²	26	50.1 Å²	50.1	10%	0.098	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.7	-172.4	67.3	-167.8	-168	170.6	14	111	S325 P326 Y333 D334 D339 K549 L550 D551 S552	S325-R329 PolarHBondContact OG-NH1 3.46Å; P326-R329 HydrophobicContact CG-CB 4.07Å; R329-Y333 HydrophobicContact CB-CD1 4.37Å; R329-Y333 HydrophobicContact CB-CG 4.08Å; R329-D334 VanDerWaalsContact CZ-CG 3.44Å; R329-D334 IonicContact CZ-OD1 3.16Å; R329-D334 IonicContact CZ-OD2 3.9Å; R329-D334 VanDerWaalsContact CZ-OD2 3.26Å; R329-D334 IonicContact NE-OD1 2.68Å; R329-D334 PolarHBondContact NE-OD1 3.48Å; R329-D334 VanDerWaalsContact NE-OD1 3.17Å; R329-D334 IonicContact NE-OD2 2.71Å; R329-D334 PolarHBondContact NE-OD2 2.6Å; R329-D334 VanDerWaalsContact NE-OD2 3.13Å; R329-D334 IonicContact NH1-OD1 3.63Å; R329-D334 PolarHBondContact NH1-OD1 3.26Å; R329-D334 IonicContact NH2-OD1 3.39Å; R329-D334 PolarHBondContact NH2-OD1 3.23Å; R329-D334 IonicContact NH2-OD2 2.88Å; R329-D334 PolarHBondContact NH2-OD2 3.09Å; R329-D339 IonicContact CZ-OD2 2.9Å; R329-D339 IonicContact NH1-OD1 3.67Å; R329-D339 IonicContact NH1-OD2 2.93Å; R329-D339 PolarHBondContact NH1-OD2 3.47Å; R329-K549 VanDerWaalsContact NH1-NZ 3.2Å; R329-K549 VanDerWaalsContact NH2-NZ 3.19Å; R329-L550 PolarHBondContact N-O 2.77Å; R329-L550 VanDerWaalsContact N-O 3.1Å; R329-D551 WeakPolarHBondContact O-CA 3.26Å; R329-S552 VanDerWaalsContact C-OG 3.29Å; R329-S552 PolarHBondContact O-N 2.97Å; R329-S552 VanDerWaalsContact O-N 3.11Å
330	T	96.4	Very high	95.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	26%	0.256	C	S	.	.			trans	-79.5	157	175.9	62.4	0	0	0	0	109.9	N278 A332 Y333 S552	N278-T330 WeakPolarHBondContact O-CB 3.48Å; N278-T330 WeakPolarHBondContact O-CG2 3.06Å; N278-T330 PolarHBondContact O-OG1 3.39Å; T330-A332 PolarHBondContact O-N 2.85Å; T330-Y333 WeakPolarHBondContact O-CB 3.48Å; T330-Y333 PolarHBondContact O-N 2.94Å; T330-Y333 PolarHBondContact OG1-N 3.12Å; T330-S552 PolarHBondContact N-OG 3.1Å
331	T	95.5	Very high	95.3	Very high	75 Å²	75	52 Å²	52	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-53.9	-33.4	170.5	51.3	0	0	0	0	112.3	Y333 D334 K335 T553	T331-Y333 VanDerWaalsContact C-N 3.3Å; T331-Y333 PolarHBondContact O-N 3.12Å; T331-D334 PolarHBondContact O-N 3.31Å; T331-K335 PolarHBondContact O-N 3.43Å; T331-T553 PolarHBondContact N-OG1 3.03Å; T331-T553 PolarHBondContact OG1-OG1 3.27Å
332	A	95.7	Very high	95.2	Very high	7 Å²	7	49 Å²	49	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-32.2	175.3	0	0	0	0	0	113.3	N278 T330 D334 K335 Y336	N278-A332 HydrophobicContact CB-CB 3.82Å; T330-A332 PolarHBondContact O-N 2.85Å; A332-D334 VanDerWaalsContact C-N 3.29Å; A332-D334 PolarHBondContact O-N 3.37Å; A332-K335 PolarHBondContact O-N 3.25Å; A332-Y336 HydrophobicContact CB-CD2 4.25Å; A332-Y336 HydrophobicContact CB-CE2 3.77Å; A332-Y336 WeakPolarHBondContact O-CB 3.41Å; A332-Y336 WeakPolarHBondContact O-CD2 3.41Å; A332-Y336 PolarHBondContact O-N 2.98Å
333	Y	95.9	Very high	95.1	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-43.5	177.5	-168.3	-80.3	0	0	0	111.4	L279 P326 R329 T330 T331 K337 V338 D339	L279-Y333 HydrophobicContact CD2-CD2 4.09Å; L279-Y333 HydrophobicContact CD2-CG 4.5Å; P326-Y333 VanDerWaalsContact CD-CZ 3.48Å; P326-Y333 VanDerWaalsContact CD-OH 3.28Å; P326-Y333 WeakPolarHBondContact CD-OH 3.45Å; P326-Y333 HydrophobicContact CG-CD2 4.16Å; P326-Y333 HydrophobicContact CG-CE1 4.26Å; P326-Y333 HydrophobicContact CG-CE2 3.65Å; R329-Y333 HydrophobicContact CB-CD1 4.37Å; R329-Y333 HydrophobicContact CB-CG 4.08Å; T330-Y333 WeakPolarHBondContact O-CB 3.48Å; T330-Y333 PolarHBondContact O-N 2.94Å; T330-Y333 PolarHBondContact OG1-N 3.12Å; T331-Y333 VanDerWaalsContact C-N 3.3Å; T331-Y333 PolarHBondContact O-N 3.12Å; Y333-K337 PolarHBondContact O-N 3.08Å; Y333-V338 HydrophobicContact CD1-CB 4.1Å; Y333-V338 HydrophobicContact CD2-CB 3.87Å; Y333-V338 HydrophobicContact CD2-CG1 4.1Å; Y333-V338 HydrophobicContact CD2-CG2 4.32Å; Y333-V338 HydrophobicContact CE1-CB 3.87Å; Y333-V338 HydrophobicContact CE1-CG1 4.45Å; Y333-V338 HydrophobicContact CE2-CB 3.64Å; Y333-V338 HydrophobicContact CE2-CG1 3.51Å; Y333-V338 HydrophobicContact CG-CB 4.09Å; Y333-V338 HydrophobicContact CG-CG2 4.46Å; Y333-V338 PolarHBondContact O-N 3.46Å; Y333-V338 VanDerWaalsContact O-N 3.11Å; Y333-D339 HydrophobicContact CE1-CB 4.32Å; Y333-D339 WeakPolarHBondContact CE1-OD1 3.45Å
334	D	94.9	Very high	95.1	Very high	71 Å²	71	44 Å²	44	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-75.3	-43	178.3	-71.7	-23.5	0	0	0	111.7	R329 T331 A332 Y336 K337	R329-D334 VanDerWaalsContact CZ-CG 3.44Å; R329-D334 IonicContact CZ-OD1 3.16Å; R329-D334 IonicContact CZ-OD2 3.9Å; R329-D334 VanDerWaalsContact CZ-OD2 3.26Å; R329-D334 IonicContact NE-OD1 2.68Å; R329-D334 PolarHBondContact NE-OD1 3.48Å; R329-D334 VanDerWaalsContact NE-OD1 3.17Å; R329-D334 IonicContact NE-OD2 2.71Å; R329-D334 PolarHBondContact NE-OD2 2.6Å; R329-D334 VanDerWaalsContact NE-OD2 3.13Å; R329-D334 IonicContact NH1-OD1 3.63Å; R329-D334 PolarHBondContact NH1-OD1 3.26Å; R329-D334 IonicContact NH2-OD1 3.39Å; R329-D334 PolarHBondContact NH2-OD1 3.23Å; R329-D334 IonicContact NH2-OD2 2.88Å; R329-D334 PolarHBondContact NH2-OD2 3.09Å; T331-D334 PolarHBondContact O-N 3.31Å; A332-D334 VanDerWaalsContact C-N 3.29Å; A332-D334 PolarHBondContact O-N 3.37Å; D334-Y336 PolarHBondContact O-N 3.49Å; D334-K337 PolarHBondContact O-N 3.27Å
335	K	95	Very high	95.1	Very high	152 Å²	152	40.2 Å²	40.2	66%	0.661	20%	0.2	S	C	*	.	H	α-helix	trans	-53.5	-41.7	174.5	-177.9	-178.9	178.3	179.4	0	111.9	T331 A332	T331-K335 PolarHBondContact O-N 3.43Å; A332-K335 PolarHBondContact O-N 3.25Å
336	Y	95.3	Very high	95.2	Very high	43 Å²	43	39.7 Å²	39.7	17%	0.169	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	0.6	-177.9	-56	-32	0	0	0	114.4	A99 Y275 N278 L279 A332 D334 V338	A99-Y336 WeakPolarHBondContact CB-OH 3.19Å; Y275-Y336 HydrophobicContact CD2-CD1 4.13Å; Y275-Y336 AromaticContact CD2-CD2 3.63Å; Y275-Y336 HydrophobicContact CD2-CD2 3.63Å; Y275-Y336 HydrophobicContact CD2-CE1 4.22Å; Y275-Y336 AromaticContact CD2-CE2 3.73Å; Y275-Y336 HydrophobicContact CD2-CE2 3.73Å; Y275-Y336 AromaticContact CD2-CG 3.87Å; Y275-Y336 HydrophobicContact CD2-CG 3.87Å; Y275-Y336 HydrophobicContact CE1-CD2 4.3Å; Y275-Y336 AromaticContact CE2-CD1 3.74Å; Y275-Y336 HydrophobicContact CE2-CD1 3.74Å; Y275-Y336 AromaticContact CE2-CD2 3.37Å; Y275-Y336 HydrophobicContact CE2-CD2 3.37Å; Y275-Y336 HydrophobicContact CE2-CE1 4.29Å; Y275-Y336 AromaticContact CE2-CE2 3.98Å; Y275-Y336 HydrophobicContact CE2-CE2 3.98Å; Y275-Y336 AromaticContact CE2-CG 3.26Å; Y275-Y336 HydrophobicContact CE2-CG 3.26Å; Y275-Y336 HydrophobicContact CG-CD2 4.21Å; Y275-Y336 HydrophobicContact CG-CE2 4.18Å; Y275-Y336 AromaticContact CZ-CD2 3.73Å; Y275-Y336 AromaticContact CZ-CG 3.79Å; Y275-Y336 WeakPolarHBondContact OH-CB 3.15Å; N278-Y336 HydrophobicContact CB-CE2 4.37Å; L279-Y336 HydrophobicContact CD2-CD2 4.19Å; A332-Y336 HydrophobicContact CB-CD2 4.25Å; A332-Y336 HydrophobicContact CB-CE2 3.77Å; A332-Y336 WeakPolarHBondContact O-CB 3.41Å; A332-Y336 WeakPolarHBondContact O-CD2 3.41Å; A332-Y336 PolarHBondContact O-N 2.98Å; D334-Y336 PolarHBondContact O-N 3.49Å; Y336-V338 VanDerWaalsContact C-N 3.28Å; Y336-V338 PolarHBondContact O-N 2.94Å
337	K	95	Very high	95.3	Very high	144 Å²	144	39.6 Å²	39.6	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	43.9	-178.4	-56.4	-176.4	178.6	-176.2	0	112.9	Y333 D334 D339 D340	Y333-K337 PolarHBondContact O-N 3.08Å; D334-K337 PolarHBondContact O-N 3.27Å; K337-D339 PolarHBondContact O-N 3.13Å; K337-D340 PolarHBondContact O-N 3.47Å
338	V	94.8	Very high	95.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-66.3	-18.4	-179	-174.1	0	0	0	0	111.9	L279 Y333 Y336 D340 Y341	L279-V338 HydrophobicContact CD1-CG2 4.15Å; L279-V338 HydrophobicContact CD2-CG2 3.99Å; Y333-V338 HydrophobicContact CD1-CB 4.1Å; Y333-V338 HydrophobicContact CD2-CB 3.87Å; Y333-V338 HydrophobicContact CD2-CG1 4.1Å; Y333-V338 HydrophobicContact CD2-CG2 4.32Å; Y333-V338 HydrophobicContact CE1-CB 3.87Å; Y333-V338 HydrophobicContact CE1-CG1 4.45Å; Y333-V338 HydrophobicContact CE2-CB 3.64Å; Y333-V338 HydrophobicContact CE2-CG1 3.51Å; Y333-V338 HydrophobicContact CG-CB 4.09Å; Y333-V338 HydrophobicContact CG-CG2 4.46Å; Y333-V338 PolarHBondContact O-N 3.46Å; Y333-V338 VanDerWaalsContact O-N 3.11Å; Y336-V338 VanDerWaalsContact C-N 3.28Å; Y336-V338 PolarHBondContact O-N 2.94Å; V338-D340 PolarHBondContact O-N 3.39Å; V338-D340 VanDerWaalsContact O-N 3.16Å; V338-Y341 CarbonylContact O-C 3.58Å; V338-Y341 WeakPolarHBondContact O-CA 3.43Å; V338-Y341 PolarHBondContact O-N 3.27Å
339	D	94.1	Very high	95.4	Very high	58 Å²	58	39.3 Å²	39.3	31%	0.31	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-56.9	-23.8	172.4	-91.1	-26.5	0	0	0	113.6	S325 R329 Y333 K337 Y341 P342	S325-D339 WeakPolarHBondContact CB-OD1 3.23Å; S325-D339 PolarHBondContact OG-OD1 3.25Å; R329-D339 IonicContact CZ-OD2 2.9Å; R329-D339 IonicContact NH1-OD1 3.67Å; R329-D339 IonicContact NH1-OD2 2.93Å; R329-D339 PolarHBondContact NH1-OD2 3.47Å; Y333-D339 HydrophobicContact CE1-CB 4.32Å; Y333-D339 WeakPolarHBondContact CE1-OD1 3.45Å; K337-D339 PolarHBondContact O-N 3.13Å; D339-Y341 PolarHBondContact O-N 3.34Å; D339-P342 WeakPolarHBondContact O-CD 3.3Å
340	D	94.6	Very high	95.5	Very high	87 Å²	87	38.1 Å²	38.1	47%	0.465	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-70.2	-20.6	173.9	-67	-17.1	0	0	0	112	K337 V338	K337-D340 PolarHBondContact O-N 3.47Å; V338-D340 PolarHBondContact O-N 3.39Å; V338-D340 VanDerWaalsContact O-N 3.16Å
341	Y	95.3	Very high	95.5	Very high	48 Å²	48	38.9 Å²	38.9	19%	0.188	19%	0.192	C	C	.	.	S	Bend	trans	-135.6	61.7	-176.6	-54	-81	0	0	0	112.7	Y45 T304 L307 V338 D339	Y45-Y341 VanDerWaalsContact CB-CB 3.42Å; Y45-Y341 AromaticContact CD1-CD2 3.7Å; Y45-Y341 HydrophobicContact CD1-CD2 3.7Å; Y45-Y341 HydrophobicContact CD1-CE2 4.48Å; Y45-Y341 HydrophobicContact CD1-CG 4.01Å; Y45-Y341 HydrophobicContact CD2-CD1 4.06Å; Y45-Y341 AromaticContact CD2-CD2 3.6Å; Y45-Y341 HydrophobicContact CD2-CD2 3.6Å; Y45-Y341 HydrophobicContact CD2-CE1 4.18Å; Y45-Y341 AromaticContact CD2-CE2 3.76Å; Y45-Y341 HydrophobicContact CD2-CE2 3.76Å; Y45-Y341 AromaticContact CD2-CG 3.76Å; Y45-Y341 HydrophobicContact CD2-CG 3.76Å; Y45-Y341 AromaticContact CE1-CD2 3.88Å; Y45-Y341 HydrophobicContact CE1-CD2 3.88Å; Y45-Y341 HydrophobicContact CE1-CE2 4.34Å; Y45-Y341 AromaticContact CE2-CD2 3.8Å; Y45-Y341 HydrophobicContact CE2-CD2 3.8Å; Y45-Y341 AromaticContact CE2-CE2 3.62Å; Y45-Y341 HydrophobicContact CE2-CE2 3.62Å; Y45-Y341 HydrophobicContact CE2-CG 4.42Å; Y45-Y341 HydrophobicContact CG-CD1 4.16Å; Y45-Y341 AromaticContact CG-CD2 3.55Å; Y45-Y341 HydrophobicContact CG-CD2 3.55Å; Y45-Y341 HydrophobicContact CG-CE2 4.21Å; Y45-Y341 AromaticContact CG-CG 3.53Å; Y45-Y341 HydrophobicContact CG-CG 3.53Å; Y45-Y341 AromaticContact CZ-CD2 3.94Å; Y45-Y341 AromaticContact CZ-CE2 3.93Å; T304-Y341 HydrophobicContact CG2-CD1 4.31Å; L307-Y341 HydrophobicContact CG-CE1 4.1Å; V338-Y341 CarbonylContact O-C 3.58Å; V338-Y341 WeakPolarHBondContact O-CA 3.43Å; V338-Y341 PolarHBondContact O-N 3.27Å; D339-Y341 PolarHBondContact O-N 3.34Å
342	P	92.5	Very high	95.5	Very high	18 Å²	18	35.9 Å²	35.9	12%	0.117	17%	0.173	C	C	.	.			trans	-66.1	149.9	-174.7	29.7	-35.9	0	0	0	111.4	G303 T304 P323 D339	G303-P342 CarbonylContact C-O 3.48Å; G303-P342 WeakPolarHBondContact CA-O 3.16Å; T304-P342 PolarHBondContact N-O 2.91Å; T304-P342 VanDerWaalsContact N-O 3.08Å; T304-P342 PolarHBondContact OG1-O 2.86Å; P323-P342 HydrophobicContact CB-CB 3.8Å; P323-P342 HydrophobicContact CB-CG 3.56Å; P323-P342 HydrophobicContact CG-CB 4.36Å; P323-P342 HydrophobicContact CG-CG 3.55Å; D339-P342 WeakPolarHBondContact O-CD 3.3Å
343	L	93.5	Very high	95.4	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.19	C	C	.	.			trans	-117.7	-7.3	-161.3	-62.7	167	0	0	0	114.5	N44 L46 Y603	N44-L343 HydrophobicContact CB-CD2 3.93Å; L46-L343 HydrophobicContact CD1-CD1 3.27Å; L46-L343 HydrophobicContact CD2-CD1 4.41Å; L46-L343 HydrophobicContact CG-CD1 3.62Å; L46-L343 HydrophobicContact CG-CD2 4.29Å; L343-Y603 PolarHBondContact N-OH 3.11Å
344	G	95.2	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-172.1	-163.6	-167.4	0	0	0	0	0	112.3	P323 Q324 Y603 Y604	P323-G344 CarbonylContact C-O 3.48Å; P323-G344 WeakPolarHBondContact CA-O 3.5Å; Q324-G344 PolarHBondContact N-O 3.34Å; G344-Y603 VanDerWaalsContact C-CZ 3.47Å; G344-Y603 WeakPolarHBondContact CA-OH 3.22Å; G344-Y603 PolarHBondContact N-OH 3.44Å; G344-Y603 PolarHBondContact O-OH 2.81Å; G344-Y604 CarbonylContact C-O 3.57Å; G344-Y604 WeakPolarHBondContact CA-O 3.45Å
345	T	95.9	Very high	95	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.4	-176.3	49.9	0	0	0	0	110.1	L320 T322 Q324 A347 Y604	L320-T345 HydrophobicContact CD2-CG2 4.32Å; T322-T345 WeakPolarHBondContact O-CG2 3.16Å; Q324-T345 HydrophobicContact CG-CG2 4.4Å; T345-A347 PolarHBondContact O-N 3.5Å; T345-Y604 PolarHBondContact N-O 3.02Å; T345-Y604 PolarHBondContact O-N 3.1Å
346	N	97.2	Very high	94.9	Very high	28 Å²	28	32.4 Å²	32.4	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.8	168.8	-54.4	-77.9	0	0	0	107.7	Q324 S325 L327 V601 Y603	Q324-N346 PolarHBondContact OE1-ND2 3.04Å; S325-N346 PolarHBondContact O-ND2 3.38Å; L327-N346 PolarHBondContact N-OD1 2.84Å; N346-V601 HydrophobicContact CB-CG1 3.85Å; N346-Y603 WeakPolarHBondContact OD1-CD2 3.36Å
347	A	97.3	Very high	94.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.3	-179.9	0	0	0	0	0	109.6	T345 V349 F374 D517 I518 V601 V602 Y604	T345-A347 PolarHBondContact O-N 3.5Å; A347-V349 HydrophobicContact CB-CG2 4.35Å; A347-F374 HydrophobicContact CB-CE2 3.78Å; A347-F374 HydrophobicContact CB-CZ 3.84Å; A347-D517 HydrophobicContact CB-CB 4.33Å; A347-I518 HydrophobicContact CB-CD1 3.93Å; A347-I518 HydrophobicContact CB-CG1 4.33Å; A347-V601 WeakPolarHBondContact O-CA 3.29Å; A347-V602 PolarHBondContact N-O 3.31Å; A347-V602 PolarHBondContact O-N 3.11Å; A347-Y604 HydrophobicContact CB-CD2 4.31Å
348	I	97.5	Very high	94.7	Very high	43 Å²	43	29.9 Å²	29.9	22%	0.221	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.6	169.2	-57	178.3	0	0	0	107.9	D517 I518 F599 G600	I348-D517 PolarHBondContact N-OD2 3.32Å; I348-D517 PolarHBondContact O-N 3.14Å; I348-I518 PolarHBondContact O-N 3.03Å; I348-I518 VanDerWaalsContact O-N 3.09Å; I348-F599 HydrophobicContact CG2-CD2 4.23Å; I348-F599 HydrophobicContact CG2-CE1 3.77Å; I348-F599 HydrophobicContact CG2-CE2 3.39Å; I348-F599 HydrophobicContact CG2-CZ 3.13Å; I348-G600 WeakPolarHBondContact CA-O 3.47Å
349	V	97.2	Very high	94.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.1	-173.4	-173.4	0	0	0	0	110.1	A347 I518 F520 G600 V602 Y604	A347-V349 HydrophobicContact CB-CG2 4.35Å; V349-I518 WeakPolarHBondContact CA-O 3.35Å; V349-I518 HydrophobicContact CG2-CB 4.32Å; V349-F520 HydrophobicContact CG1-CB 4Å; V349-G600 PolarHBondContact N-O 3.42Å; V349-G600 PolarHBondContact O-N 2.56Å; V349-G600 VanDerWaalsContact O-N 3.1Å; V349-V602 HydrophobicContact CB-CG2 4.41Å; V349-V602 HydrophobicContact CG2-CB 3.9Å; V349-V602 HydrophobicContact CG2-CG2 4.13Å; V349-Y604 HydrophobicContact CG2-CD2 4.23Å; V349-Y604 HydrophobicContact CG2-CE2 3.88Å
350	A	97	Very high	93.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.2	166.8	0	0	0	0	0	109.7	I352 P516 I518 I519 F520 M584 I597 F599	A350-I352 HydrophobicContact CB-CG2 4.12Å; A350-P516 HydrophobicContact CB-CB 3.78Å; A350-P516 HydrophobicContact CB-CG 3.78Å; A350-I518 PolarHBondContact N-O 2.79Å; A350-I519 HydrophobicContact CB-CG1 4.48Å; A350-I519 WeakPolarHBondContact O-CA 3.42Å; A350-F520 PolarHBondContact O-N 3.14Å; A350-M584 HydrophobicContact CB-SD 4.5Å; A350-I597 HydrophobicContact CB-CG2 4.5Å; A350-F599 HydrophobicContact CB-CD2 3.86Å; A350-F599 HydrophobicContact CB-CE2 4.32Å
351	V	96.2	Very high	93.2	Very high	19 Å²	19	40 Å²	40	12%	0.115	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	93.7	172.4	-179.7	0	0	0	0	108.9	F520 P522 F525 F598	V351-F520 CarbonylContact C-O 3.4Å; V351-F520 VanDerWaalsContact CA-O 3.27Å; V351-F520 WeakPolarHBondContact CA-O 3.24Å; V351-P522 HydrophobicContact CG1-CB 3.92Å; V351-F525 HydrophobicContact CB-CE2 4.47Å; V351-F525 HydrophobicContact CG1-CD2 4.25Å; V351-F525 HydrophobicContact CG1-CE2 3.64Å; V351-F525 HydrophobicContact CG2-CE2 3.92Å; V351-F525 HydrophobicContact CG2-CZ 4.19Å; V351-F598 HydrophobicContact CB-CB 4.31Å; V351-F598 HydrophobicContact CB-CD1 4.17Å; V351-F598 HydrophobicContact CG2-CD1 3.85Å; V351-F598 PolarHBondContact N-O 2.99Å
352	I	95.5	Very high	93.1	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.067	21%	0.207	C	C	.	.			trans	-151.9	140.7	-175	-172.2	175.4	0	0	0	110.4	A350 H354 D358 I519 F520 F593 I597	A350-I352 HydrophobicContact CB-CG2 4.12Å; I352-H354 HydrophobicContact CD1-CB 4.06Å; I352-H354 HydrophobicContact CG1-CB 4.13Å; I352-H354 HydrophobicContact CG2-CB 4.27Å; I352-D358 VanDerWaalsContact O-OD2 3.08Å; I352-I519 HydrophobicContact CG2-CG1 4.41Å; I352-I519 HydrophobicContact CG2-CG2 3.83Å; I352-I519 WeakPolarHBondContact O-CG2 3.37Å; I352-F520 PolarHBondContact N-O 2.78Å; I352-F520 VanDerWaalsContact N-O 3.11Å; I352-F593 HydrophobicContact CD1-CD1 4.34Å; I352-F593 HydrophobicContact CD1-CD2 4.12Å; I352-F593 HydrophobicContact CD1-CE1 4.04Å; I352-F593 HydrophobicContact CD1-CE2 3.83Å; I352-F593 HydrophobicContact CD1-CG 4.38Å; I352-F593 HydrophobicContact CD1-CZ 3.78Å; I352-I597 HydrophobicContact CB-CD1 4.36Å; I352-I597 HydrophobicContact CB-CG2 3.87Å; I352-I597 HydrophobicContact CD1-CD1 3.55Å; I352-I597 HydrophobicContact CD1-CG1 3.89Å; I352-I597 HydrophobicContact CD1-CG2 4.41Å; I352-I597 HydrophobicContact CG1-CD1 3.87Å; I352-I597 HydrophobicContact CG1-CG2 4.5Å; I352-I597 HydrophobicContact CG2-CG2 4.47Å
353	S	94	Very high	93.3	Very high	59 Å²	59	37.6 Å²	37.6	41%	0.413	20%	0.202	S	C	.	.			trans	-90.3	96	165.4	-62.2	0	0	0	0	108.6	N521 P522	S353-N521 PolarHBondContact OG-OD1 3.09Å; S353-P522 VanDerWaalsContact OG-CD 3.28Å; S353-P522 WeakPolarHBondContact OG-CD 3.31Å; S353-P522 VanDerWaalsContact OG-CG 3.29Å; S353-P522 WeakPolarHBondContact OG-CG 3.29Å
354	H	91.2	Very high	93.4	Very high	42 Å²	42	37.3 Å²	37.3	19%	0.194	20%	0.2	C	C	.	.			trans	-122.8	-46.9	-176.5	-178.4	49.9	0	0	0	113.8	I352 F593	I352-H354 HydrophobicContact CD1-CB 4.06Å; I352-H354 HydrophobicContact CG1-CB 4.13Å; I352-H354 HydrophobicContact CG2-CB 4.27Å; H354-F593 AromaticContact CE1-CE1 3.99Å; H354-F593 AromaticContact CE1-CZ 3.77Å; H354-F593 AromaticContact ND1-CE1 3.69Å; H354-F593 AromaticContact ND1-CZ 3.67Å
355	T	91.4	Very high	93.5	Very high	17 Å²	17	37.3 Å²	37.3	10%	0.104	20%	0.2	C	C	.	.	S	Bend	trans	-86.4	-23	-168.1	65.2	0	0	0	0	113.2	Y357 D358 V364 W502 I519	T355-Y357 WeakPolarHBondContact O-CD2 3.34Å; T355-Y357 PolarHBondContact O-N 2.95Å; T355-Y357 PolarHBondContact OG1-N 2.81Å; T355-D358 PolarHBondContact OG1-OD1 2.87Å; T355-V364 HydrophobicContact CG2-CG1 4.41Å; T355-V364 HydrophobicContact CG2-CG2 4.24Å; T355-V364 WeakPolarHBondContact OG1-CG2 3.48Å; T355-W502 HydrophobicContact CG2-CD2 3.89Å; T355-W502 HydrophobicContact CG2-CE3 3.96Å; T355-W502 HydrophobicContact CG2-CG 4.47Å; T355-W502 HydrophobicContact CG2-CH2 4.29Å; T355-W502 HydrophobicContact CG2-CZ2 4.18Å; T355-W502 HydrophobicContact CG2-CZ3 4.18Å; T355-I519 HydrophobicContact CG2-CD1 4.09Å
356	G	91.6	Very high	93.5	Very high	47 Å²	47	37.1 Å²	37.1	49%	0.485	20%	0.199	S	C	.	.	S	Bend	trans	75	-10.5	-171.5	0	0	0	0	0	113.7	D358	G356-D358 PolarHBondContact N-OD1 2.91Å
357	Y	94.1	Very high	93.6	Very high	133 Å²	133	39.9 Å²	39.9	52%	0.522	21%	0.209	S	C	.	.	S	Bend	trans	-90	-3.8	175.3	-74.9	-85.9	0	0	0	112.6	T355 A362 S499 F500 W502	T355-Y357 WeakPolarHBondContact O-CD2 3.34Å; T355-Y357 PolarHBondContact O-N 2.95Å; T355-Y357 PolarHBondContact OG1-N 2.81Å; Y357-A362 WeakPolarHBondContact O-CB 3.29Å; Y357-S499 WeakPolarHBondContact O-CB 3.47Å; Y357-S499 PolarHBondContact O-OG 2.77Å; Y357-F500 HydrophobicContact CG-CB 4.5Å; Y357-W502 AromaticContact CD2-CZ3 3.86Å; Y357-W502 HydrophobicContact CD2-CZ3 3.86Å; Y357-W502 HydrophobicContact CE2-CZ3 4.23Å
358	D	91.9	Very high	93.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.217	C	C	.	.			trans	-101.9	15.5	-177.1	59.5	-28.7	0	0	0	113	I352 T355 G356 V364 N521	I352-D358 VanDerWaalsContact O-OD2 3.08Å; T355-D358 PolarHBondContact OG1-OD1 2.87Å; G356-D358 PolarHBondContact N-OD1 2.91Å; D358-V364 HydrophobicContact CB-CG2 4.08Å; D358-N521 HydrophobicContact CB-CB 4.24Å; D358-N521 WeakPolarHBondContact O-CB 3.25Å; D358-N521 PolarHBondContact O-ND2 2.89Å
359	M	88.7	Confident	93.5	Very high	125 Å²	125	39.5 Å²	39.5	62%	0.616	21%	0.211	S	C	*	.			trans	-69.1	152.3	178.6	-62.7	-175.9	76.8	0	0	112.5	D361 A362	M359-D361 PolarHBondContact O-N 3.33Å; M359-A362 VanDerWaalsContact O-CB 3.29Å; M359-A362 WeakPolarHBondContact O-CB 3.29Å; M359-A362 PolarHBondContact O-N 2.93Å; M359-A362 VanDerWaalsContact O-N 3.13Å
360	E	81.9	Confident	93.5	Very high	165 Å²	165	39.9 Å²	39.9	77%	0.771	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	-109	-178.6	-54.9	-175.5	162.6	0	0	114.3
361	D	82.9	Confident	93.4	Very high	68 Å²	68	46.1 Å²	46.1	36%	0.364	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	9.7	-177.8	-71.3	13.5	0	0	0	111.1	M359 G496 I497 R528	M359-D361 PolarHBondContact O-N 3.33Å; D361-G496 CarbonylContact O-C 3.56Å; D361-G496 WeakPolarHBondContact O-CA 3.46Å; D361-I497 PolarHBondContact O-N 2.81Å; D361-R528 IonicContact OD1-CZ 2.76Å; D361-R528 IonicContact OD1-NH2 2.9Å; D361-R528 PolarHBondContact OD1-NH2 3.23Å; D361-R528 IonicContact OD2-NH2 2.67Å
362	A	93	Very high	93.5	Very high	16 Å²	16	54.5 Å²	54.5	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	152	178.4	0	0	0	0	0	111.8	Y357 M359 I497	Y357-A362 WeakPolarHBondContact O-CB 3.29Å; M359-A362 VanDerWaalsContact O-CB 3.29Å; M359-A362 WeakPolarHBondContact O-CB 3.29Å; M359-A362 PolarHBondContact O-N 2.93Å; M359-A362 VanDerWaalsContact O-N 3.13Å; A362-I497 CarbonylContact C-O 3.55Å; A362-I497 WeakPolarHBondContact CA-O 3.35Å
363	M	95.1	Very high	93.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.7	167.1	64.4	179.5	60.3	0	0	108.8	F488 I497 N498 S499 I518 Y604	M363-F488 HydrophobicContact CE-CB 4.17Å; M363-F488 HydrophobicContact SD-CB 3.64Å; M363-F488 HydrophobicContact SD-CG 4.34Å; M363-I497 PolarHBondContact N-O 3.24Å; M363-N498 CarbonylContact O-C 3.59Å; M363-N498 WeakPolarHBondContact O-CA 3.17Å; M363-S499 PolarHBondContact O-N 3.43Å; M363-S499 PolarHBondContact O-OG 3.1Å; M363-I518 HydrophobicContact CB-CG2 4.24Å; M363-I518 HydrophobicContact SD-CG2 4.18Å; M363-Y604 HydrophobicContact CE-CE1 3.61Å; M363-Y604 HydrophobicContact SD-CE1 3.91Å
364	V	96.6	Very high	93.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.3	178.2	169.8	0	0	0	0	108.3	T355 D358 W502 I518 I519	T355-V364 HydrophobicContact CG2-CG1 4.41Å; T355-V364 HydrophobicContact CG2-CG2 4.24Å; T355-V364 WeakPolarHBondContact OG1-CG2 3.48Å; D358-V364 HydrophobicContact CB-CG2 4.08Å; V364-W502 HydrophobicContact CG1-CB 3.42Å; V364-W502 VanDerWaalsContact CG1-CB 3.42Å; V364-W502 HydrophobicContact CG1-CG 4.17Å; V364-I518 WeakPolarHBondContact O-CA 3.48Å; V364-I519 HydrophobicContact CB-CB 4.21Å; V364-I519 PolarHBondContact N-O 3.41Å; V364-I519 PolarHBondContact O-N 2.79Å
365	I	96.9	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.7	176.9	-65.2	179.1	0	0	0	109	K367 A370 F374 F488 N498 F500 L501 W502 D517 I518	I365-K367 PolarHBondContact O-N 3.34Å; I365-A370 HydrophobicContact CG2-CB 4.4Å; I365-F374 HydrophobicContact CG2-CD1 4.25Å; I365-F374 HydrophobicContact CG2-CE1 4.44Å; I365-F488 HydrophobicContact CD1-CD2 3.79Å; I365-F488 HydrophobicContact CD1-CE1 4.32Å; I365-F488 HydrophobicContact CD1-CE2 3.44Å; I365-F488 VanDerWaalsContact CD1-CE2 3.44Å; I365-F488 HydrophobicContact CD1-CG 4.39Å; I365-F488 HydrophobicContact CD1-CZ 3.73Å; I365-N498 HydrophobicContact CD1-CB 3.89Å; I365-N498 HydrophobicContact CG1-CB 4.39Å; I365-F500 PolarHBondContact N-O 2.82Å; I365-L501 HydrophobicContact CB-CD2 4.03Å; I365-L501 HydrophobicContact CG2-CD2 4.06Å; I365-L501 CarbonylContact O-C 3.25Å; I365-L501 WeakPolarHBondContact O-CA 3.25Å; I365-W502 PolarHBondContact O-N 2.81Å; I365-D517 WeakPolarHBondContact CA-O 3.4Å; I365-I518 HydrophobicContact CG1-CG1 4.45Å
366	N	97.3	Very high	93.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	118.8	171.5	-174.3	-25.4	0	0	0	110.4	S368 S369 A370 L504 M507 P516 D517	N366-S368 VanDerWaalsContact C-N 3.31Å; N366-S368 PolarHBondContact O-N 2.8Å; N366-S368 PolarHBondContact OD1-N 2.84Å; N366-S369 WeakPolarHBondContact CB-OG 3.44Å; N366-S369 PolarHBondContact ND2-OG 3.23Å; N366-S369 PolarHBondContact O-N 3.48Å; N366-S369 PolarHBondContact OD1-N 2.79Å; N366-A370 PolarHBondContact O-N 3.16Å; N366-L504 VanDerWaalsContact ND2-CD1 3.33Å; N366-L504 WeakPolarHBondContact ND2-CD1 3.42Å; N366-M507 HydrophobicContact CB-CE 3.85Å; N366-P516 WeakPolarHBondContact CB-O 3Å; N366-P516 PolarHBondContact ND2-O 3.09Å; N366-P516 VanDerWaalsContact ND2-O 3.14Å; N366-D517 PolarHBondContact N-O 3.35Å
367	K	97.5	Very high	94.1	Very high	86 Å²	86	49.3 Å²	49.3	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-57.8	-44.5	179.9	-176.9	-178.5	171.1	-168.5	0	111.5	I365 S369 A370 E371 L501 W502	I365-K367 PolarHBondContact O-N 3.34Å; K367-S369 VanDerWaalsContact C-N 3.35Å; K367-S369 PolarHBondContact O-N 3.42Å; K367-A370 WeakPolarHBondContact O-CB 3.04Å; K367-A370 PolarHBondContact O-N 2.94Å; K367-E371 WeakPolarHBondContact CE-OE1 3.4Å; K367-E371 WeakPolarHBondContact O-CG 3.49Å; K367-E371 PolarHBondContact O-N 3.44Å; K367-L501 HydrophobicContact CB-CB 4.14Å; K367-L501 HydrophobicContact CG-CB 4.31Å; K367-W502 WeakPolarHBondContact CB-O 3.42Å; K367-W502 PolarHBondContact N-O 3.36Å
368	S	97.5	Very high	94.1	Very high	22 Å²	22	43.2 Å²	43.2	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-34.7	179.8	-66.4	0	0	0	0	112.3	N366 E371 R372 L504	N366-S368 VanDerWaalsContact C-N 3.31Å; N366-S368 PolarHBondContact O-N 2.8Å; N366-S368 PolarHBondContact OD1-N 2.84Å; S368-E371 PolarHBondContact O-N 2.86Å; S368-R372 WeakPolarHBondContact O-CB 3.44Å; S368-R372 WeakPolarHBondContact O-CG 3.49Å; S368-R372 PolarHBondContact O-N 2.79Å; S368-L504 WeakPolarHBondContact OG-CB 3.44Å
369	S	96.9	Very high	94.3	Very high	13 Å²	13	43.2 Å²	43.2	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-44.5	172.5	-58.8	0	0	0	0	110.9	N366 K367 E371 R372 G373 F374 D517	N366-S369 WeakPolarHBondContact CB-OG 3.44Å; N366-S369 PolarHBondContact ND2-OG 3.23Å; N366-S369 PolarHBondContact O-N 3.48Å; N366-S369 PolarHBondContact OD1-N 2.79Å; K367-S369 VanDerWaalsContact C-N 3.35Å; K367-S369 PolarHBondContact O-N 3.42Å; S369-E371 PolarHBondContact O-N 3.2Å; S369-R372 PolarHBondContact O-N 3.46Å; S369-G373 PolarHBondContact O-N 3.43Å; S369-F374 VanDerWaalsContact C-CB 3.42Å; S369-F374 WeakPolarHBondContact O-CB 3.47Å; S369-F374 PolarHBondContact O-N 3.31Å; S369-D517 VanDerWaalsContact CB-OD1 3.25Å; S369-D517 WeakPolarHBondContact CB-OD1 3.4Å; S369-D517 PolarHBondContact OG-OD1 3.34Å
370	A	95.8	Very high	94.6	Very high	10 Å²	10	38.1 Å²	38.1	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-42.8	175.6	0	0	0	0	0	112.5	I365 N366 K367 R372 G373 L501	I365-A370 HydrophobicContact CG2-CB 4.4Å; N366-A370 PolarHBondContact O-N 3.16Å; K367-A370 WeakPolarHBondContact O-CB 3.04Å; K367-A370 PolarHBondContact O-N 2.94Å; A370-R372 VanDerWaalsContact C-N 3.33Å; A370-R372 PolarHBondContact O-N 3.01Å; A370-G373 PolarHBondContact O-N 2.76Å; A370-G373 VanDerWaalsContact O-N 3.13Å; A370-L501 HydrophobicContact CB-CD2 4.15Å
371	E	96.3	Very high	95.2	Very high	131 Å²	131	33 Å²	33	61%	0.612	16%	0.159	S	C	*	.	H	α-helix	trans	-65.8	-33.6	177	-72.6	170.9	167.3	0	0	112.8	K367 S368 S369 G373	K367-E371 WeakPolarHBondContact CE-OE1 3.4Å; K367-E371 WeakPolarHBondContact O-CG 3.49Å; K367-E371 PolarHBondContact O-N 3.44Å; S368-E371 PolarHBondContact O-N 2.86Å; S369-E371 PolarHBondContact O-N 3.2Å; E371-G373 PolarHBondContact O-N 3.29Å
372	R	96.9	Very high	95.8	Very high	195 Å²	195	30.6 Å²	30.6	74%	0.736	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-2.3	173.9	-69	170.9	-167.4	-173.8	5.1	113.9	S368 S369 A370	S368-R372 WeakPolarHBondContact O-CB 3.44Å; S368-R372 WeakPolarHBondContact O-CG 3.49Å; S368-R372 PolarHBondContact O-N 2.79Å; S369-R372 PolarHBondContact O-N 3.46Å; A370-R372 VanDerWaalsContact C-N 3.33Å; A370-R372 PolarHBondContact O-N 3.01Å
373	G	95.1	Very high	95.8	Very high	13 Å²	13	32 Å²	32	13%	0.134	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	7.3	173.3	0	0	0	0	0	115.8	T322 S369 A370 E371 A375 N376	T322-G373 PolarHBondContact OG1-O 2.86Å; S369-G373 PolarHBondContact O-N 3.43Å; A370-G373 PolarHBondContact O-N 2.76Å; A370-G373 VanDerWaalsContact O-N 3.13Å; E371-G373 PolarHBondContact O-N 3.29Å; G373-A375 PolarHBondContact O-N 3.3Å; G373-A375 VanDerWaalsContact O-N 3.14Å; G373-N376 PolarHBondContact O-N 3.48Å; G373-N376 VanDerWaalsContact O-N 3.11Å
374	F	96	Very high	95.7	Very high	22 Å²	22	39.5 Å²	39.5	10%	0.096	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	121.5	176.8	179.8	-99.4	0	0	0	111.1	A347 I365 S369 N376 P482 F488 D517 I518	A347-F374 HydrophobicContact CB-CE2 3.78Å; A347-F374 HydrophobicContact CB-CZ 3.84Å; I365-F374 HydrophobicContact CG2-CD1 4.25Å; I365-F374 HydrophobicContact CG2-CE1 4.44Å; S369-F374 VanDerWaalsContact C-CB 3.42Å; S369-F374 WeakPolarHBondContact O-CB 3.47Å; S369-F374 PolarHBondContact O-N 3.31Å; F374-N376 PolarHBondContact O-N 3.45Å; F374-P482 WeakPolarHBondContact O-CG 3.34Å; F374-F488 HydrophobicContact CE1-CE1 4.43Å; F374-D517 HydrophobicContact CE2-CB 4.23Å; F374-I518 HydrophobicContact CE1-CD1 4.42Å; F374-I518 HydrophobicContact CZ-CD1 4Å; F374-I518 HydrophobicContact CZ-CG1 4.26Å
375	A	94.2	Very high	95.5	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	27.3	-180	0	0	0	0	0	115.9	L320 G373 A377 P482 F488 R606	L320-A375 HydrophobicContact CD1-CB 4.46Å; G373-A375 PolarHBondContact O-N 3.3Å; G373-A375 VanDerWaalsContact O-N 3.14Å; A375-A377 PolarHBondContact O-N 2.75Å; A375-P482 HydrophobicContact CB-CG 4.36Å; A375-F488 HydrophobicContact CB-CE1 3.68Å; A375-F488 HydrophobicContact CB-CZ 4.3Å; A375-R606 HydrophobicContact CB-CB 4.48Å; A375-R606 VanDerWaalsContact O-CD 3.27Å; A375-R606 WeakPolarHBondContact O-CD 3.26Å; A375-R606 PolarHBondContact O-NH1 2.92Å
376	N	95.7	Very high	95.2	Very high	29 Å²	29	41.2 Å²	41.2	16%	0.155	19%	0.192	C	C	.	.			trans	-62.5	136.7	173.7	-88.9	-5.4	0	0	0	110.9	L320 L321 G373 F374 K481 P482	L320-N376 WeakPolarHBondContact CD1-O 3.26Å; L321-N376 WeakPolarHBondContact CB-O 3.37Å; L321-N376 HydrophobicContact CD1-CB 4.17Å; L321-N376 PolarHBondContact N-O 2.65Å; G373-N376 PolarHBondContact O-N 3.48Å; G373-N376 VanDerWaalsContact O-N 3.11Å; F374-N376 PolarHBondContact O-N 3.45Å; N376-K481 WeakPolarHBondContact OD1-CA 3.43Å; N376-P482 WeakPolarHBondContact OD1-CD 3.32Å
377	A	95.3	Very high	94.7	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	165.1	-176.4	0	0	0	0	0	111.2	M302 R319 L320 A375 R480	M302-A377 HydrophobicContact CE-CB 4Å; M302-A377 HydrophobicContact SD-CB 4.06Å; R319-A377 CarbonylContact O-C 3.43Å; R319-A377 VanDerWaalsContact O-CA 3.23Å; R319-A377 WeakPolarHBondContact O-CA 3.33Å; R319-A377 WeakPolarHBondContact O-CB 3.44Å; L320-A377 HydrophobicContact CD1-CB 4.29Å; A375-A377 PolarHBondContact O-N 2.75Å; A377-R480 HydrophobicContact CB-CB 4.23Å; A377-R480 PolarHBondContact N-O 2.8Å; A377-R480 CarbonylContact O-C 3.51Å; A377-R480 WeakPolarHBondContact O-CA 3.38Å; A377-R480 WeakPolarHBondContact O-CB 3.39Å; A377-R480 PolarHBondContact O-N 3.23Å
378	V	95.3	Very high	93.9	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.6	176.8	168.8	0	0	0	0	108.8	R319 L321 Y380 R477 L478	R319-V378 PolarHBondContact N-O 3.34Å; R319-V378 PolarHBondContact O-N 3.13Å; L321-V378 HydrophobicContact CD1-CG2 3.84Å; L321-V378 HydrophobicContact CD2-CB 4.34Å; L321-V378 HydrophobicContact CD2-CG2 3.71Å; L321-V378 HydrophobicContact CG-CG2 3.9Å; V378-Y380 HydrophobicContact CG1-CD2 4.32Å; V378-Y380 HydrophobicContact CG1-CE2 3.9Å; V378-R477 HydrophobicContact CG1-CB 4.44Å; V378-R477 HydrophobicContact CG1-CG 3.15Å; V378-L478 CarbonylContact C-O 3.5Å; V378-L478 WeakPolarHBondContact CA-O 3.31Å
379	I	95.1	Very high	93.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.8	174.2	-62.8	-178.5	0	0	0	109.2	K316 L317 Y318 L478 R480 M610	K316-I379 HydrophobicContact CD-CG2 4.23Å; K316-I379 HydrophobicContact CG-CG2 3.67Å; L317-I379 CarbonylContact O-C 3.57Å; L317-I379 VanDerWaalsContact O-CA 3.25Å; L317-I379 WeakPolarHBondContact O-CA 3.48Å; Y318-I379 HydrophobicContact CD1-CD1 3.59Å; Y318-I379 HydrophobicContact CD1-CG1 3.68Å; Y318-I379 HydrophobicContact CE1-CD1 3.51Å; Y318-I379 HydrophobicContact CE1-CG1 4.09Å; I379-L478 HydrophobicContact CB-CB 4.3Å; I379-L478 PolarHBondContact N-O 2.75Å; I379-L478 WeakPolarHBondContact O-CD1 3.46Å; I379-L478 PolarHBondContact O-N 2.9Å; I379-R480 HydrophobicContact CD1-CG 3.81Å; I379-R480 HydrophobicContact CG1-CG 3.85Å; I379-M610 HydrophobicContact CD1-CE 3.26Å; I379-M610 HydrophobicContact CD1-SD 4.11Å
380	Y	95.7	Very high	92	Very high	17 Å²	17	52.6 Å²	52.6	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.3	169	-60.2	-92.4	0	0	0	108.8	I309 K316 L317 R319 V378 T475 F476 R477	I309-Y380 HydrophobicContact CD1-CE2 4.29Å; I309-Y380 HydrophobicContact CG2-CD1 4.29Å; I309-Y380 HydrophobicContact CG2-CD2 4.18Å; I309-Y380 HydrophobicContact CG2-CE1 4.17Å; I309-Y380 HydrophobicContact CG2-CE2 4.06Å; I309-Y380 HydrophobicContact CG2-CG 4.28Å; K316-Y380 CarbonylContact C-O 3.21Å; K316-Y380 VanDerWaalsContact CA-O 3.24Å; K316-Y380 WeakPolarHBondContact CA-O 3.36Å; L317-Y380 HydrophobicContact CB-CD2 4.43Å; L317-Y380 PolarHBondContact N-O 3.47Å; L317-Y380 PolarHBondContact O-N 2.81Å; R319-Y380 HydrophobicContact CB-CE2 3.98Å; R319-Y380 PolarHBondContact NH1-OH 2.82Å; V378-Y380 HydrophobicContact CG1-CD2 4.32Å; V378-Y380 HydrophobicContact CG1-CE2 3.9Å; Y380-T475 HydrophobicContact CD1-CG2 4.25Å; Y380-F476 CarbonylContact C-O 3.08Å; Y380-F476 VanDerWaalsContact CA-O 3.25Å; Y380-F476 WeakPolarHBondContact CA-O 3.5Å; Y380-R477 HydrophobicContact CD1-CB 4.49Å; Y380-R477 HydrophobicContact CD1-CG 4.43Å; Y380-R477 HydrophobicContact CE1-CB 4.39Å; Y380-R477 HydrophobicContact CE1-CG 4.02Å
381	K	94.8	Very high	90.7	Very high	57 Å²	57	56.7 Å²	56.7	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	113.4	178.8	-176.3	-179.2	177.3	-173.6	0	109.3	S315 S448 F476 L478	S315-K381 WeakPolarHBondContact O-CA 3.39Å; K381-S448 PolarHBondContact NZ-OG 2.85Å; K381-S448 VanDerWaalsContact NZ-OG 3.17Å; K381-F476 PolarHBondContact N-O 3.32Å; K381-F476 WeakPolarHBondContact O-CD2 3.07Å; K381-F476 PolarHBondContact O-N 3.33Å; K381-L478 HydrophobicContact CB-CD1 3.98Å
382	S	95.1	Very high	89.6	Confident	18 Å²	18	51.9 Å²	51.9	13%	0.126	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.9	177.3	-57.9	0	0	0	0	111.5	D314 S315 I474 T475	D314-S382 VanDerWaalsContact O-CB 3.26Å; D314-S382 WeakPolarHBondContact O-CB 3.39Å; D314-S382 PolarHBondContact O-N 2.84Å; D314-S382 PolarHBondContact O-OG 2.87Å; S315-S382 PolarHBondContact O-N 2.91Å; S382-I474 CarbonylContact C-O 3.57Å; S382-I474 WeakPolarHBondContact CA-O 3.33Å; S382-T475 PolarHBondContact OG-OG1 2.93Å
383	T	93.8	Very high	88.3	Confident	45 Å²	45	47.6 Å²	47.6	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.5	171.7	-57.4	0	0	0	0	108.4	I385 C473 I474	T383-I385 HydrophobicContact CG2-CG1 4.47Å; T383-C473 WeakPolarHBondContact O-CA 3.24Å; T383-I474 PolarHBondContact N-O 2.91Å; T383-I474 PolarHBondContact O-N 3.11Å
384	R	92.8	Very high	87	Confident	159 Å²	159	51.3 Å²	51.3	60%	0.6	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.9	174.8	-61.7	-177.9	-172.4	-174.2	1.9	109.4	A313 C473	A313-R384 PolarHBondContact O-NH2 3.08Å; R384-C473 HydrophobicContact CG-CB 4.19Å
385	I	91.5	Very high	85.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.9	174.9	-59.4	173.3	0	0	0	106	T383 L387 F399 V431 K444 V472 I474	T383-I385 HydrophobicContact CG2-CG1 4.47Å; I385-L387 HydrophobicContact CG2-CD2 4.38Å; I385-F399 HydrophobicContact CG2-CE1 4.08Å; I385-F399 HydrophobicContact CG2-CZ 4.09Å; I385-V431 HydrophobicContact CD1-CB 4.2Å; I385-V431 HydrophobicContact CD1-CG2 3.62Å; I385-K444 HydrophobicContact CD1-CD 4.35Å; I385-V472 PolarHBondContact N-O 3.2Å; I385-V472 PolarHBondContact O-N 2.83Å; I385-I474 HydrophobicContact CD1-CD1 4.16Å
386	N	89.7	Confident	85.3	Confident	33 Å²	33	58.4 Å²	58.4	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.7	175.9	178.8	17.1	0	0	0	108.6	N388 D389 F392 K470	N386-N388 PolarHBondContact O-N 3.45Å; N386-N388 WeakPolarHBondContact OD1-CB 3.19Å; N386-N388 PolarHBondContact OD1-N 2.89Å; N386-N388 VanDerWaalsContact OD1-N 3.09Å; N386-D389 WeakPolarHBondContact CB-OD1 3.39Å; N386-D389 PolarHBondContact ND2-OD1 3.19Å; N386-D389 WeakPolarHBondContact O-CB 3.49Å; N386-D389 PolarHBondContact O-N 2.81Å; N386-D389 VanDerWaalsContact O-N 3.16Å; N386-F392 VanDerWaalsContact O-CD2 3.31Å; N386-F392 WeakPolarHBondContact O-CD2 3.36Å; N386-K470 CarbonylContact C-O 3.59Å; N386-K470 WeakPolarHBondContact CA-O 3.32Å
387	L	86.8	Confident	84.9	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.7	179.5	-57.7	179.2	0	0	0	112.5	I385 F392 L397 F399 F433 K470	I385-L387 HydrophobicContact CG2-CD2 4.38Å; L387-F392 HydrophobicContact CD2-CE2 4.44Å; L387-F392 HydrophobicContact CD2-CZ 4.47Å; L387-F392 WeakPolarHBondContact O-CB 3.49Å; L387-L397 HydrophobicContact CB-CB 4.27Å; L387-L397 HydrophobicContact CD1-CB 3.91Å; L387-L397 HydrophobicContact CD2-CB 4.42Å; L387-L397 HydrophobicContact CD2-CD1 4.31Å; L387-L397 HydrophobicContact CG-CB 4.43Å; L387-F399 HydrophobicContact CD1-CD1 4.23Å; L387-F399 HydrophobicContact CD1-CD2 3.99Å; L387-F399 HydrophobicContact CD1-CE1 3.92Å; L387-F399 HydrophobicContact CD1-CE2 3.71Å; L387-F399 HydrophobicContact CD1-CG 4.27Å; L387-F399 HydrophobicContact CD1-CZ 3.68Å; L387-F399 HydrophobicContact CD2-CE1 4.09Å; L387-F399 HydrophobicContact CD2-CZ 4.1Å; L387-F399 HydrophobicContact CG-CE1 4.08Å; L387-F399 HydrophobicContact CG-CE2 4.04Å; L387-F399 HydrophobicContact CG-CZ 3.65Å; L387-F433 HydrophobicContact CD1-CB 4.45Å; L387-F433 HydrophobicContact CD2-CD1 4.24Å; L387-F433 HydrophobicContact CD2-CG 4.22Å; L387-K470 HydrophobicContact CB-CB 4.14Å; L387-K470 HydrophobicContact CB-CG 4.41Å; L387-K470 PolarHBondContact N-O 3.23Å
388	N	82.1	Confident	84.6	Confident	95 Å²	95	60.1 Å²	60.1	51%	0.508	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	0.3	170.3	-62.4	-30.3	0	0	0	113.1	N386 K470	N386-N388 PolarHBondContact O-N 3.45Å; N386-N388 WeakPolarHBondContact OD1-CB 3.19Å; N386-N388 PolarHBondContact OD1-N 2.89Å; N386-N388 VanDerWaalsContact OD1-N 3.09Å; N388-K470 WeakPolarHBondContact OD1-CD 3.31Å
389	D	80.9	Confident	84.4	Confident	74 Å²	74	60.9 Å²	60.9	40%	0.396	32%	0.323	S	S	.	.	S	Bend	trans	-65.9	151.8	175.9	-73.8	-11.7	0	0	0	110.2	N386 C391 F392 D393	N386-D389 WeakPolarHBondContact CB-OD1 3.39Å; N386-D389 PolarHBondContact ND2-OD1 3.19Å; N386-D389 WeakPolarHBondContact O-CB 3.49Å; N386-D389 PolarHBondContact O-N 2.81Å; N386-D389 VanDerWaalsContact O-N 3.16Å; D389-C391 PolarHBondContact O-N 2.9Å; D389-F392 HydrophobicContact CB-CD2 4.34Å; D389-F392 WeakPolarHBondContact O-CA 3.29Å; D389-F392 WeakPolarHBondContact O-CB 3.46Å; D389-F392 PolarHBondContact O-N 2.91Å; D389-D393 PolarHBondContact O-N 2.96Å
390	K	73.2	Confident	84.3	Confident	190 Å²	190	64.2 Å²	64.2	83%	0.826	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-49.3	-26.6	-177.4	-67.2	-174.3	176.6	-176.7	0	115.5	F392 D393	K390-F392 PolarHBondContact O-N 3.33Å; K390-D393 WeakPolarHBondContact CA-OD2 3.49Å; K390-D393 PolarHBondContact O-N 3.34Å
391	C	68.6	Low	84.2	Confident	95 Å²	95	66 Å²	66	64%	0.642	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-68.7	-13	176.2	49.8	0	0	0	0	114	D389	D389-C391 PolarHBondContact O-N 2.9Å
392	F	72.4	Confident	84.1	Confident	31 Å²	31	64.9 Å²	64.9	14%	0.136	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-121	3.3	179.8	-57.8	-65.2	0	0	0	112.7	N386 L387 D389 K390 G394 K395 L397 F433	N386-F392 VanDerWaalsContact O-CD2 3.31Å; N386-F392 WeakPolarHBondContact O-CD2 3.36Å; L387-F392 HydrophobicContact CD2-CE2 4.44Å; L387-F392 HydrophobicContact CD2-CZ 4.47Å; L387-F392 WeakPolarHBondContact O-CB 3.49Å; D389-F392 HydrophobicContact CB-CD2 4.34Å; D389-F392 WeakPolarHBondContact O-CA 3.29Å; D389-F392 WeakPolarHBondContact O-CB 3.46Å; D389-F392 PolarHBondContact O-N 2.91Å; K390-F392 PolarHBondContact O-N 3.33Å; F392-G394 PolarHBondContact O-N 3.38Å; F392-K395 WeakPolarHBondContact O-CB 3.33Å; F392-K395 PolarHBondContact O-N 3.37Å; F392-K395 VanDerWaalsContact O-N 3.14Å; F392-L397 HydrophobicContact CB-CD1 3.78Å; F392-L397 HydrophobicContact CD1-CD1 3.43Å; F392-L397 VanDerWaalsContact CD1-CD1 3.43Å; F392-L397 HydrophobicContact CE1-CD1 4.26Å; F392-L397 HydrophobicContact CG-CD1 3.83Å; F392-F433 HydrophobicContact CE1-CE2 4.2Å; F392-F433 AromaticContact CE1-CZ 3.88Å; F392-F433 HydrophobicContact CE1-CZ 3.88Å; F392-F433 HydrophobicContact CZ-CZ 4.44Å
393	D	69.3	Low	83.9	Confident	105 Å²	105	68.2 Å²	68.2	56%	0.561	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	136.8	-179.6	-91.4	-17.2	0	0	0	111.5	D389 K390 K395	D389-D393 PolarHBondContact O-N 2.96Å; K390-D393 WeakPolarHBondContact CA-OD2 3.49Å; K390-D393 PolarHBondContact O-N 3.34Å; D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 2.8Å
394	G	69.1	Low	83.6	Confident	90 Å²	90	75.1 Å²	75.1	93%	0.928	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	2.1	-179.6	0	0	0	0	0	115.4	F392	F392-G394 PolarHBondContact O-N 3.38Å
395	K	72.6	Confident	83.5	Confident	102 Å²	102	70.5 Å²	70.5	44%	0.443	38%	0.376	S	S	.	.			trans	-110.8	127.9	178.4	-57	-177.7	172.6	-171.1	0	111	F392 D393 L397 E435	F392-K395 WeakPolarHBondContact O-CB 3.33Å; F392-K395 PolarHBondContact O-N 3.37Å; F392-K395 VanDerWaalsContact O-N 3.14Å; D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 2.8Å; K395-L397 HydrophobicContact CB-CD1 4.02Å; K395-L397 HydrophobicContact CB-CD2 4.02Å; K395-L397 HydrophobicContact CB-CG 3.72Å; K395-L397 HydrophobicContact CD-CD1 4.49Å; K395-L397 PolarHBondContact O-N 3.31Å; K395-E435 VanDerWaalsContact CD-OE1 3.24Å; K395-E435 WeakPolarHBondContact CD-OE1 3.27Å; K395-E435 VanDerWaalsContact CG-OE1 3.26Å; K395-E435 WeakPolarHBondContact CG-OE1 3.41Å
396	D	81.8	Confident	83.3	Confident	71 Å²	71	78.6 Å²	78.6	38%	0.38	41%	0.414	S	S	.	.			trans	-85	92.2	170.7	-164	32.8	0	0	0	110	A436 K470	D396-A436 PolarHBondContact O-N 3.24Å; D396-A436 VanDerWaalsContact O-N 3.11Å; D396-K470 IonicContact OD1-NZ 3.79Å; D396-K470 PolarHBondContact OD1-NZ 3.12Å
397	L	86.8	Confident	83.4	Confident	4 Å²	4	84.9 Å²	84.9	2%	0.021	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140.3	-176.5	-57	170.7	0	0	0	110.7	L387 F392 K395 F433 F434 E435	L387-L397 HydrophobicContact CB-CB 4.27Å; L387-L397 HydrophobicContact CD1-CB 3.91Å; L387-L397 HydrophobicContact CD2-CB 4.42Å; L387-L397 HydrophobicContact CD2-CD1 4.31Å; L387-L397 HydrophobicContact CG-CB 4.43Å; F392-L397 HydrophobicContact CB-CD1 3.78Å; F392-L397 HydrophobicContact CD1-CD1 3.43Å; F392-L397 VanDerWaalsContact CD1-CD1 3.43Å; F392-L397 HydrophobicContact CE1-CD1 4.26Å; F392-L397 HydrophobicContact CG-CD1 3.83Å; K395-L397 HydrophobicContact CB-CD1 4.02Å; K395-L397 HydrophobicContact CB-CD2 4.02Å; K395-L397 HydrophobicContact CB-CG 3.72Å; K395-L397 HydrophobicContact CD-CD1 4.49Å; K395-L397 PolarHBondContact O-N 3.31Å; L397-F433 HydrophobicContact CD1-CD2 4.25Å; L397-F433 HydrophobicContact CD1-CE2 4.27Å; L397-F433 HydrophobicContact CD2-CD2 4.01Å; L397-F433 HydrophobicContact CD2-CE2 4.39Å; L397-F434 VanDerWaalsContact CA-O 3.31Å; L397-F434 WeakPolarHBondContact CA-O 3.31Å; L397-E435 HydrophobicContact CD2-CB 3.58Å; L397-E435 HydrophobicContact CD2-CG 3.87Å
398	M	89.1	Confident	83.6	Confident	64 Å²	64	85.1 Å²	85.1	32%	0.315	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.2	174.4	-55.7	-173.4	-167	0	0	109.9	H400 F433 F434 C468	M398-H400 PolarHBondContact O-N 3.24Å; M398-F433 CarbonylContact O-C 3.54Å; M398-F433 WeakPolarHBondContact O-CA 3.38Å; M398-F433 VanDerWaalsContact O-CB 3.3Å; M398-F433 WeakPolarHBondContact O-CB 3.31Å; M398-F434 PolarHBondContact N-O 3.34Å; M398-F434 PolarHBondContact O-N 3.41Å; M398-C468 HydrophobicContact SD-CB 4.44Å
399	F	92	Very high	84	Confident	20 Å²	20	82.2 Å²	82.2	9%	0.088	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.4	171.1	-62.6	-70.8	0	0	0	109.3	I385 L387 D415 L417 V431 F433 L469 V472	I385-F399 HydrophobicContact CG2-CE1 4.08Å; I385-F399 HydrophobicContact CG2-CZ 4.09Å; L387-F399 HydrophobicContact CD1-CD1 4.23Å; L387-F399 HydrophobicContact CD1-CD2 3.99Å; L387-F399 HydrophobicContact CD1-CE1 3.92Å; L387-F399 HydrophobicContact CD1-CE2 3.71Å; L387-F399 HydrophobicContact CD1-CG 4.27Å; L387-F399 HydrophobicContact CD1-CZ 3.68Å; L387-F399 HydrophobicContact CD2-CE1 4.09Å; L387-F399 HydrophobicContact CD2-CZ 4.1Å; L387-F399 HydrophobicContact CG-CE1 4.08Å; L387-F399 HydrophobicContact CG-CE2 4.04Å; L387-F399 HydrophobicContact CG-CZ 3.65Å; F399-D415 CarbonylContact C-O 3.58Å; F399-D415 VanDerWaalsContact CB-O 3.29Å; F399-D415 WeakPolarHBondContact CB-O 3.25Å; F399-L417 HydrophobicContact CB-CD2 4.42Å; F399-L417 HydrophobicContact CD1-CD2 4.08Å; F399-L417 HydrophobicContact CG-CD2 4.16Å; F399-V431 HydrophobicContact CD1-CG1 3.4Å; F399-V431 HydrophobicContact CE1-CG1 3.49Å; F399-V431 VanDerWaalsContact CE1-CG1 3.49Å; F399-F433 HydrophobicContact CD1-CB 4.34Å; F399-L469 HydrophobicContact CD2-CB 4.47Å; F399-L469 HydrophobicContact CD2-CD2 3.96Å; F399-L469 HydrophobicContact CD2-CG 3.79Å; F399-L469 WeakPolarHBondContact CD2-O 3.44Å; F399-L469 HydrophobicContact CE2-CG 4.14Å; F399-V472 HydrophobicContact CD2-CG2 4.08Å; F399-V472 HydrophobicContact CE2-CB 4.41Å; F399-V472 HydrophobicContact CE2-CG2 3.61Å; F399-V472 HydrophobicContact CZ-CB 4.33Å; F399-V472 HydrophobicContact CZ-CG2 3.99Å
400	H	92.8	Very high	84.6	Confident	73 Å²	73	86.5 Å²	86.5	34%	0.338	45%	0.445	S	S	.	.			trans	-166.4	136.6	179.3	-166	-90	0	0	0	108.7	M398 D415 C432 F434 Y441	M398-H400 PolarHBondContact O-N 3.24Å; H400-D415 PolarHBondContact N-O 3.48Å; H400-C432 PolarHBondContact N-O 3.39Å; H400-C432 CarbonylContact O-C 3.54Å; H400-C432 WeakPolarHBondContact O-CB 3.32Å; H400-C432 PolarHBondContact O-SG 2.96Å; H400-F434 HydrophobicContact CB-CB 4.08Å; H400-Y441 HydrophobicContact CB-CE1 4.31Å; H400-Y441 AromaticContact ND1-CE1 3.6Å; H400-Y441 AromaticContact ND1-CZ 3.94Å; H400-Y441 PolarHBondContact ND1-OH 2.87Å
401	R	93.9	Very high	85.5	Confident	55 Å²	55	79.4 Å²	79.4	21%	0.208	42%	0.415	C	S	.	.			trans	-77.1	141.8	174.1	-172.4	-179.2	73.4	-165	2.1	110.3	P403 L408 L412 D413 W414	R401-P403 WeakPolarHBondContact O-CD 3.2Å; R401-P403 VanDerWaalsContact O-N 3.16Å; R401-L408 HydrophobicContact CG-CB 3.91Å; R401-L408 HydrophobicContact CG-CD1 4.38Å; R401-L412 WeakPolarHBondContact CD-O 3.33Å; R401-L412 PolarHBondContact NH1-O 2.89Å; R401-D413 WeakPolarHBondContact CB-O 3.39Å; R401-W414 PolarHBondContact N-O 3.27Å
402	D	92.5	Very high	86.8	Confident	33 Å²	33	74.9 Å²	74.9	18%	0.176	38%	0.384	C	S	.	.			trans	-63.5	115.4	171.4	-168	-19.4	0	0	0	109.8	K404 D405 L408 Y441	D402-K404 PolarHBondContact O-N 2.93Å; D402-K404 WeakPolarHBondContact OD1-CB 3.2Å; D402-K404 PolarHBondContact OD1-N 3.05Å; D402-D405 HydrophobicContact CB-CB 4.32Å; D402-D405 PolarHBondContact O-N 2.84Å; D402-L408 HydrophobicContact CB-CD1 4.01Å; D402-Y441 HydrophobicContact CB-CD1 3.82Å; D402-Y441 HydrophobicContact CB-CD2 3.83Å; D402-Y441 HydrophobicContact CB-CE1 4.24Å; D402-Y441 HydrophobicContact CB-CE2 4.28Å; D402-Y441 HydrophobicContact CB-CG 3.59Å; D402-Y441 VanDerWaalsContact CG-CD2 3.41Å; D402-Y441 WeakPolarHBondContact OD2-CD2 3.36Å
403	P	89.7	Confident	87.8	Confident	87 Å²	87	76.1 Å²	76.1	57%	0.565	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.3	179	28.7	-34.4	0	0	0	112.7	R401 Y441	R401-P403 WeakPolarHBondContact O-CD 3.2Å; R401-P403 VanDerWaalsContact O-N 3.16Å; P403-Y441 VanDerWaalsContact CD-OH 3.31Å; P403-Y441 WeakPolarHBondContact CD-OH 3.37Å
404	K	89.1	Confident	88.9	Confident	190 Å²	190	79.6 Å²	79.6	83%	0.826	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-23.2	179.3	-61.5	179.2	178.6	177.8	0	113	D402	D402-K404 PolarHBondContact O-N 2.93Å; D402-K404 WeakPolarHBondContact OD1-CB 3.2Å; D402-K404 PolarHBondContact OD1-N 3.05Å
405	D	89.6	Confident	90	Very high	63 Å²	63	77.5 Å²	77.5	34%	0.337	37%	0.365	S	S	.	.			trans	-100.1	87.9	-179.3	-169.7	-2.7	0	0	0	111.2	D402 K407 L408	D402-D405 HydrophobicContact CB-CB 4.32Å; D402-D405 PolarHBondContact O-N 2.84Å; D405-K407 PolarHBondContact O-N 2.9Å; D405-K407 VanDerWaalsContact O-N 3.11Å; D405-K407 VanDerWaalsContact OD1-CB 3.3Å; D405-K407 WeakPolarHBondContact OD1-CB 3.29Å; D405-K407 PolarHBondContact OD1-N 3.49Å; D405-K407 VanDerWaalsContact OD1-N 3.12Å; D405-L408 HydrophobicContact CB-CD1 4.01Å; D405-L408 HydrophobicContact CB-CG 4.07Å; D405-L408 WeakPolarHBondContact O-CB 3.32Å; D405-L408 PolarHBondContact O-N 3.45Å; D405-L408 VanDerWaalsContact O-N 3.08Å
406	E	86.8	Confident	91	Very high	172 Å²	172	72.7 Å²	72.7	80%	0.804	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-58	-24.1	177.7	-68.3	-173.8	168	0	0	113.2	L408 A409	E406-L408 PolarHBondContact O-N 3.49Å; E406-A409 WeakPolarHBondContact O-CB 3.04Å; E406-A409 PolarHBondContact O-N 2.72Å; E406-A409 VanDerWaalsContact O-N 3.13Å
407	K	91.9	Very high	91.7	Very high	166 Å²	166	69.6 Å²	69.6	72%	0.722	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-66	-29.1	179.1	-60.3	176.9	-178.1	173	0	111.5	D405 A409 K410 F411	D405-K407 PolarHBondContact O-N 2.9Å; D405-K407 VanDerWaalsContact O-N 3.11Å; D405-K407 VanDerWaalsContact OD1-CB 3.3Å; D405-K407 WeakPolarHBondContact OD1-CB 3.29Å; D405-K407 PolarHBondContact OD1-N 3.49Å; D405-K407 VanDerWaalsContact OD1-N 3.12Å; K407-A409 PolarHBondContact O-N 2.87Å; K407-K410 PolarHBondContact O-N 3.46Å; K407-F411 VanDerWaalsContact O-CD2 3.26Å; K407-F411 WeakPolarHBondContact O-CD2 3.37Å
408	L	91.6	Very high	92.1	Very high	8 Å²	8	69.7 Å²	69.7	4%	0.042	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-67.2	-26.6	177.2	-65.8	179.2	0	0	0	112.2	R401 D402 D405 E406 K410 F411 L412 P429 V443	R401-L408 HydrophobicContact CG-CB 3.91Å; R401-L408 HydrophobicContact CG-CD1 4.38Å; D402-L408 HydrophobicContact CB-CD1 4.01Å; D405-L408 HydrophobicContact CB-CD1 4.01Å; D405-L408 HydrophobicContact CB-CG 4.07Å; D405-L408 WeakPolarHBondContact O-CB 3.32Å; D405-L408 PolarHBondContact O-N 3.45Å; D405-L408 VanDerWaalsContact O-N 3.08Å; E406-L408 PolarHBondContact O-N 3.49Å; L408-K410 PolarHBondContact O-N 2.84Å; L408-F411 PolarHBondContact O-N 2.91Å; L408-L412 PolarHBondContact O-N 3.48Å; L408-P429 HydrophobicContact CD2-CB 3.92Å; L408-P429 HydrophobicContact CD2-CG 3.75Å; L408-V443 HydrophobicContact CD1-CG2 3.97Å; L408-V443 HydrophobicContact CD2-CG1 4.43Å; L408-V443 HydrophobicContact CD2-CG2 4.12Å
409	A	91.5	Very high	92.5	Very high	34 Å²	34	70.8 Å²	70.8	28%	0.281	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-63.4	-23.8	-178.3	0	0	0	0	0	113.5	E406 K407 F411 Y419	E406-A409 WeakPolarHBondContact O-CB 3.04Å; E406-A409 PolarHBondContact O-N 2.72Å; E406-A409 VanDerWaalsContact O-N 3.13Å; K407-A409 PolarHBondContact O-N 2.87Å; A409-F411 VanDerWaalsContact C-N 3.26Å; A409-F411 PolarHBondContact O-N 3.24Å; A409-Y419 WeakPolarHBondContact O-CE2 3.38Å; A409-Y419 PolarHBondContact O-OH 2.94Å
410	K	91.4	Very high	92.6	Very high	164 Å²	164	75 Å²	75	71%	0.713	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.2	-26	172.3	-173.6	176.4	-179.4	178.3	0	112.8	K407 L408	K407-K410 PolarHBondContact O-N 3.46Å; L408-K410 PolarHBondContact O-N 2.84Å
411	F	93.9	Very high	92.7	Very high	41 Å²	41	75.7 Å²	75.7	18%	0.18	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-34.9	-168.7	-58.6	-64.3	0	0	0	113.1	K407 L408 A409 R422 E428 P429	K407-F411 VanDerWaalsContact O-CD2 3.26Å; K407-F411 WeakPolarHBondContact O-CD2 3.37Å; L408-F411 PolarHBondContact O-N 2.91Å; A409-F411 VanDerWaalsContact C-N 3.26Å; A409-F411 PolarHBondContact O-N 3.24Å; F411-R422 PolarHBondContact O-NH1 3.44Å; F411-R422 VanDerWaalsContact O-NH1 3.1Å; F411-E428 HydrophobicContact CE1-CG 4.42Å; F411-P429 HydrophobicContact CB-CB 4.05Å; F411-P429 HydrophobicContact CB-CG 4.38Å; F411-P429 HydrophobicContact CD2-CB 4.32Å; F411-P429 HydrophobicContact CD2-CG 3.73Å; F411-P429 HydrophobicContact CE2-CG 4.2Å; F411-P429 HydrophobicContact CG-CB 4.34Å; F411-P429 HydrophobicContact CG-CG 4.15Å
412	L	95.3	Very high	92.7	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-129.7	142.6	-171.4	-52.8	177.6	0	0	0	110.8	R401 L408 L417 P418 Y419 P429 L430 C432	R401-L412 WeakPolarHBondContact CD-O 3.33Å; R401-L412 PolarHBondContact NH1-O 2.89Å; L408-L412 PolarHBondContact O-N 3.48Å; L412-L417 CarbonylContact C-O 3.52Å; L412-L417 VanDerWaalsContact CA-O 3.26Å; L412-L417 WeakPolarHBondContact CA-O 3.39Å; L412-P418 HydrophobicContact CD2-CB 4.22Å; L412-Y419 PolarHBondContact O-OH 3.14Å; L412-P429 HydrophobicContact CD1-CB 4.3Å; L412-P429 HydrophobicContact CG-CB 4.43Å; L412-L430 VanDerWaalsContact CD2-C 3.42Å; L412-L430 WeakPolarHBondContact CD2-O 3.43Å; L412-C432 HydrophobicContact CD1-CB 3.58Å
413	D	94.2	Very high	92.9	Very high	56 Å²	56	75.7 Å²	75.7	30%	0.299	37%	0.366	S	S	.	.			trans	-74.5	175.2	171.4	-151.2	-12.3	0	0	0	110.8	R401 D415 G416 L417 Y419	R401-D413 WeakPolarHBondContact CB-O 3.39Å; D413-D415 PolarHBondContact O-N 3.03Å; D413-G416 PolarHBondContact O-N 3.36Å; D413-L417 PolarHBondContact N-O 3.37Å; D413-Y419 HydrophobicContact CB-CD1 4.22Å; D413-Y419 HydrophobicContact CB-CE1 3.73Å
414	W	92.3	Very high	93.2	Very high	178 Å²	178	71.5 Å²	71.5	67%	0.674	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.4	-176.9	63.1	-90.5	0	0	0	113.2	R401 G416	R401-W414 PolarHBondContact N-O 3.27Å; W414-G416 PolarHBondContact O-N 2.95Å
415	D	92.2	Very high	93.5	Very high	47 Å²	47	69.6 Å²	69.6	25%	0.251	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-3	176.8	66.4	0.6	0	0	0	113.9	F399 H400 D413 L417	F399-D415 CarbonylContact C-O 3.58Å; F399-D415 VanDerWaalsContact CB-O 3.29Å; F399-D415 WeakPolarHBondContact CB-O 3.25Å; H400-D415 PolarHBondContact N-O 3.48Å; D413-D415 PolarHBondContact O-N 3.03Å; D415-L417 VanDerWaalsContact C-N 3.33Å; D415-L417 VanDerWaalsContact OD1-CB 3.31Å; D415-L417 WeakPolarHBondContact OD1-CB 3.5Å; D415-L417 PolarHBondContact OD1-N 2.71Å; D415-L417 WeakPolarHBondContact OD2-CD1 3.36Å
416	G	93.2	Very high	93.6	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	81	7.8	-178.1	0	0	0	0	0	114.5	D413 W414 V431 C432	D413-G416 PolarHBondContact O-N 3.36Å; W414-G416 PolarHBondContact O-N 2.95Å; G416-V431 WeakPolarHBondContact O-CA 3.27Å; G416-C432 PolarHBondContact O-N 2.93Å
417	L	95.5	Very high	93.9	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.037	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-99	158.2	177.4	-55.8	-176.8	0	0	0	111.5	F399 L412 D413 D415 V431 V457 V459 L469 V472	F399-L417 HydrophobicContact CB-CD2 4.42Å; F399-L417 HydrophobicContact CD1-CD2 4.08Å; F399-L417 HydrophobicContact CG-CD2 4.16Å; L412-L417 CarbonylContact C-O 3.52Å; L412-L417 VanDerWaalsContact CA-O 3.26Å; L412-L417 WeakPolarHBondContact CA-O 3.39Å; D413-L417 PolarHBondContact N-O 3.37Å; D415-L417 VanDerWaalsContact C-N 3.33Å; D415-L417 VanDerWaalsContact OD1-CB 3.31Å; D415-L417 WeakPolarHBondContact OD1-CB 3.5Å; D415-L417 PolarHBondContact OD1-N 2.71Å; D415-L417 WeakPolarHBondContact OD2-CD1 3.36Å; L417-V431 HydrophobicContact CD2-CG1 4.32Å; L417-V431 HydrophobicContact CD2-CG2 4.41Å; L417-V457 HydrophobicContact CD1-CG1 4Å; L417-V459 HydrophobicContact CD1-CG2 4.4Å; L417-L469 HydrophobicContact CD1-CD2 4.47Å; L417-V472 HydrophobicContact CD1-CG1 4.45Å; L417-V472 HydrophobicContact CD1-CG2 4.25Å; L417-V472 HydrophobicContact CD2-CG1 4.22Å; L417-V472 HydrophobicContact CD2-CG2 4.08Å
418	P	96.2	Very high	94	Very high	6 Å²	6	61 Å²	61	4%	0.039	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-81.8	146.6	-178.4	33.5	-34.3	0	0	0	112	L412 L430 V454 V457 I474	L412-P418 HydrophobicContact CD2-CB 4.22Å; P418-L430 HydrophobicContact CB-CD1 4.43Å; P418-L430 WeakPolarHBondContact CD-O 3.41Å; P418-L430 HydrophobicContact CG-CD1 4.08Å; P418-V454 HydrophobicContact CB-CG2 4.17Å; P418-V454 HydrophobicContact CG-CG1 4.39Å; P418-V454 HydrophobicContact CG-CG2 4.26Å; P418-V457 HydrophobicContact CG-CG2 4.27Å; P418-I474 HydrophobicContact CG-CD1 4.01Å; P418-I474 HydrophobicContact CG-CG2 4.36Å
419	Y	96.1	Very high	94.2	Very high	87 Å²	87	61.7 Å²	61.7	34%	0.341	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-60.9	137.9	172.8	-59.1	-74.6	0	0	0	112	A409 L412 D413 R422 V454	A409-Y419 WeakPolarHBondContact O-CE2 3.38Å; A409-Y419 PolarHBondContact O-OH 2.94Å; L412-Y419 PolarHBondContact O-OH 3.14Å; D413-Y419 HydrophobicContact CB-CD1 4.22Å; D413-Y419 HydrophobicContact CB-CE1 3.73Å; Y419-R422 WeakPolarHBondContact O-CB 3.25Å; Y419-R422 PolarHBondContact O-N 2.93Å; Y419-V454 WeakPolarHBondContact O-CB 3.34Å
420	I	95.7	Very high	94.3	Very high	108 Å²	108	60.4 Å²	60.4	55%	0.554	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	143	172.2	-59	174.5	0	0	0	109	R422 D455 V457	I420-R422 PolarHBondContact O-N 3.28Å; I420-D455 WeakPolarHBondContact CG2-O 3.48Å; I420-V457 HydrophobicContact CG1-CG2 4.46Å
421	S	94.6	Very high	94.5	Very high	88 Å²	88	52.6 Å²	52.6	62%	0.615	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	1.3	-175.1	-51	0	0	0	0	116.2	V454	S421-V454 VanDerWaalsContact CA-O 3.29Å; S421-V454 WeakPolarHBondContact CA-O 3.4Å; S421-V454 PolarHBondContact N-O 3.13Å
422	R	94.3	Very high	94.5	Very high	33 Å²	33	50.6 Å²	50.6	13%	0.125	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-68.5	137.1	174.2	178.6	-178.6	156.1	-123.8	-14.6	111.2	F411 Y419 I420 E428 P429 Y453 V454	F411-R422 PolarHBondContact O-NH1 3.44Å; F411-R422 VanDerWaalsContact O-NH1 3.1Å; Y419-R422 WeakPolarHBondContact O-CB 3.25Å; Y419-R422 PolarHBondContact O-N 2.93Å; I420-R422 PolarHBondContact O-N 3.28Å; R422-E428 IonicContact CZ-OE2 3.65Å; R422-E428 IonicContact NH2-OE2 3.93Å; R422-E428 PolarHBondContact NH2-OE2 3Å; R422-P429 PolarHBondContact NH1-O 3.48Å; R422-Y453 CarbonylContact O-C 3.55Å; R422-Y453 VanDerWaalsContact O-CA 3.31Å; R422-Y453 WeakPolarHBondContact O-CA 3.24Å; R422-V454 PolarHBondContact O-N 3.4Å
423	L	96.2	Very high	94.3	Very high	54 Å²	54	51.2 Å²	51.2	28%	0.283	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.9	166.4	-175.6	63.3	0	0	0	110.5	P451 Y453	L423-P451 HydrophobicContact CD1-CB 4.02Å; L423-Y453 HydrophobicContact CB-CD1 3.97Å; L423-Y453 HydrophobicContact CB-CE1 3.78Å; L423-Y453 HydrophobicContact CD1-CD1 4.09Å; L423-Y453 HydrophobicContact CD1-CD2 4.23Å; L423-Y453 HydrophobicContact CD1-CE1 3.89Å; L423-Y453 HydrophobicContact CD1-CE2 4.04Å; L423-Y453 HydrophobicContact CD1-CG 4.26Å; L423-Y453 HydrophobicContact CG-CE1 4.31Å
424	C	95.2	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.6	174.4	-66.5	0	0	0	0	110.6	Y446 P451 G452	C424-Y446 HydrophobicContact CB-CD1 4.27Å; C424-Y446 HydrophobicContact CB-CD2 4.13Å; C424-Y446 HydrophobicContact CB-CE2 4.44Å; C424-Y446 HydrophobicContact CB-CG 4.03Å; C424-P451 VanDerWaalsContact O-CA 3.31Å; C424-P451 WeakPolarHBondContact O-CA 3.34Å; C424-G452 PolarHBondContact N-O 3.27Å; C424-G452 PolarHBondContact O-N 3Å; C424-G452 VanDerWaalsContact O-N 3.14Å
425	R	95.3	Very high	94.1	Very high	149 Å²	149	43.6 Å²	43.6	56%	0.562	22%	0.224	S	C	*	.			trans	-110.9	161.5	173.1	-59.9	176.7	175.7	165.2	-1	111.5	G427 E428 P451	R425-G427 PolarHBondContact O-N 2.98Å; R425-E428 HydrophobicContact CB-CG 4.11Å; R425-E428 PolarHBondContact N-OE2 3.4Å; R425-E428 WeakPolarHBondContact O-CB 3.48Å; R425-E428 PolarHBondContact O-N 3.14Å; R425-E428 VanDerWaalsContact O-N 3.16Å; R425-P451 HydrophobicContact CG-CB 4.4Å
426	E	92	Very high	93.8	Very high	126 Å²	126	43.5 Å²	43.5	59%	0.589	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	131.9	179	-170.3	171.8	-169.8	0	0	111.2	E428 S448 S449	E426-E428 VanDerWaalsContact C-N 3.29Å; E426-E428 PolarHBondContact O-N 2.83Å; E426-S448 WeakPolarHBondContact CB-O 3.46Å; E426-S449 WeakPolarHBondContact OE2-CA 3.47Å
427	G	92.2	Very high	93.5	Very high	53 Å²	53	47.7 Å²	47.7	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-15.5	179.9	0	0	0	0	0	115	R425 S445 Y446	R425-G427 PolarHBondContact O-N 2.98Å; G427-S445 WeakPolarHBondContact O-CB 3.1Å; G427-Y446 PolarHBondContact N-O 3.08Å
428	E	95	Very high	93.1	Very high	43 Å²	43	51.1 Å²	51.1	20%	0.201	29%	0.286	C	S	.	.	S	Bend	trans	-70.7	150.7	178.8	-64.6	-178.4	164.4	0	0	112.2	F411 R422 R425 E426 L430 S445 Y446	F411-E428 HydrophobicContact CE1-CG 4.42Å; R422-E428 IonicContact CZ-OE2 3.65Å; R422-E428 IonicContact NH2-OE2 3.93Å; R422-E428 PolarHBondContact NH2-OE2 3Å; R425-E428 HydrophobicContact CB-CG 4.11Å; R425-E428 PolarHBondContact N-OE2 3.4Å; R425-E428 WeakPolarHBondContact O-CB 3.48Å; R425-E428 PolarHBondContact O-N 3.14Å; R425-E428 VanDerWaalsContact O-N 3.16Å; E426-E428 VanDerWaalsContact C-N 3.29Å; E426-E428 PolarHBondContact O-N 2.83Å; E428-L430 PolarHBondContact O-N 2.92Å; E428-S445 CarbonylContact O-C 3.57Å; E428-S445 WeakPolarHBondContact O-CA 3.15Å; E428-S445 WeakPolarHBondContact O-CB 3.27Å; E428-Y446 PolarHBondContact O-N 2.9Å
429	P	95.3	Very high	92.6	Very high	21 Å²	21	55 Å²	55	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	131.7	173.9	-26.3	36	0	0	0	112.3	L408 F411 L412 R422 V443	L408-P429 HydrophobicContact CD2-CB 3.92Å; L408-P429 HydrophobicContact CD2-CG 3.75Å; F411-P429 HydrophobicContact CB-CB 4.05Å; F411-P429 HydrophobicContact CB-CG 4.38Å; F411-P429 HydrophobicContact CD2-CB 4.32Å; F411-P429 HydrophobicContact CD2-CG 3.73Å; F411-P429 HydrophobicContact CE2-CG 4.2Å; F411-P429 HydrophobicContact CG-CB 4.34Å; F411-P429 HydrophobicContact CG-CG 4.15Å; L412-P429 HydrophobicContact CD1-CB 4.3Å; L412-P429 HydrophobicContact CG-CB 4.43Å; R422-P429 PolarHBondContact NH1-O 3.48Å; P429-V443 HydrophobicContact CB-CG1 3.78Å; P429-V443 HydrophobicContact CG-CG1 4.3Å
430	L	94.5	Very high	92.4	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-45.3	177.8	177.9	65.2	0	0	0	112.8	L412 P418 E428 K444 Y446 I474 F476	L412-L430 VanDerWaalsContact CD2-C 3.42Å; L412-L430 WeakPolarHBondContact CD2-O 3.43Å; P418-L430 HydrophobicContact CB-CD1 4.43Å; P418-L430 WeakPolarHBondContact CD-O 3.41Å; P418-L430 HydrophobicContact CG-CD1 4.08Å; E428-L430 PolarHBondContact O-N 2.92Å; L430-K444 WeakPolarHBondContact CA-O 3.45Å; L430-K444 WeakPolarHBondContact CB-O 3.4Å; L430-K444 PolarHBondContact N-O 3.27Å; L430-Y446 HydrophobicContact CD2-CD2 4.37Å; L430-I474 HydrophobicContact CD1-CD1 4.19Å; L430-I474 HydrophobicContact CD2-CD1 4.47Å; L430-I474 HydrophobicContact CG-CD1 4.19Å; L430-F476 HydrophobicContact CD1-CE1 3.66Å; L430-F476 HydrophobicContact CD1-CZ 3.45Å; L430-F476 VanDerWaalsContact CD1-CZ 3.45Å; L430-F476 HydrophobicContact CD2-CZ 3.8Å; L430-F476 HydrophobicContact CG-CZ 4.25Å
431	V	94.6	Very high	92.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.6	175.7	175.1	0	0	0	0	109.6	I385 F399 G416 L417 F433 K444 I474	I385-V431 HydrophobicContact CD1-CB 4.2Å; I385-V431 HydrophobicContact CD1-CG2 3.62Å; F399-V431 HydrophobicContact CD1-CG1 3.4Å; F399-V431 HydrophobicContact CE1-CG1 3.49Å; F399-V431 VanDerWaalsContact CE1-CG1 3.49Å; G416-V431 WeakPolarHBondContact O-CA 3.27Å; L417-V431 HydrophobicContact CD2-CG1 4.32Å; L417-V431 HydrophobicContact CD2-CG2 4.41Å; V431-F433 HydrophobicContact CG1-CD1 4.41Å; V431-K444 PolarHBondContact N-O 2.76Å; V431-K444 VanDerWaalsContact N-O 3.14Å; V431-K444 PolarHBondContact O-N 3.2Å; V431-I474 HydrophobicContact CG2-CD1 3.49Å; V431-I474 VanDerWaalsContact CG2-CD1 3.49Å
432	C	94.6	Very high	92	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.8	170.7	-168.2	0	0	0	0	110.1	H400 L412 G416 V443	H400-C432 PolarHBondContact N-O 3.39Å; H400-C432 CarbonylContact O-C 3.54Å; H400-C432 WeakPolarHBondContact O-CB 3.32Å; H400-C432 PolarHBondContact O-SG 2.96Å; L412-C432 HydrophobicContact CD1-CB 3.58Å; G416-C432 PolarHBondContact O-N 2.93Å; C432-V443 HydrophobicContact CB-CG2 4.3Å
433	F	92.2	Very high	91.9	Very high	12 Å²	12	54.4 Å²	54.4	5%	0.053	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.8	174.1	49.3	-93.8	0	0	0	110.9	L387 F392 L397 M398 F399 V431 T442 K444	L387-F433 HydrophobicContact CD1-CB 4.45Å; L387-F433 HydrophobicContact CD2-CD1 4.24Å; L387-F433 HydrophobicContact CD2-CG 4.22Å; F392-F433 HydrophobicContact CE1-CE2 4.2Å; F392-F433 AromaticContact CE1-CZ 3.88Å; F392-F433 HydrophobicContact CE1-CZ 3.88Å; F392-F433 HydrophobicContact CZ-CZ 4.44Å; L397-F433 HydrophobicContact CD1-CD2 4.25Å; L397-F433 HydrophobicContact CD1-CE2 4.27Å; L397-F433 HydrophobicContact CD2-CD2 4.01Å; L397-F433 HydrophobicContact CD2-CE2 4.39Å; M398-F433 CarbonylContact O-C 3.54Å; M398-F433 WeakPolarHBondContact O-CA 3.38Å; M398-F433 VanDerWaalsContact O-CB 3.3Å; M398-F433 WeakPolarHBondContact O-CB 3.31Å; F399-F433 HydrophobicContact CD1-CB 4.34Å; V431-F433 HydrophobicContact CG1-CD1 4.41Å; F433-T442 HydrophobicContact CE1-CG2 4.39Å; F433-T442 HydrophobicContact CE2-CG2 3.62Å; F433-T442 HydrophobicContact CZ-CG2 3.51Å; F433-T442 PolarHBondContact N-O 3.46Å; F433-T442 PolarHBondContact O-N 2.94Å; F433-K444 HydrophobicContact CE1-CB 4.28Å
434	F	91.9	Very high	91.8	Very high	50 Å²	50	54.8 Å²	54.8	22%	0.219	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.8	-177.1	175.1	-111	0	0	0	110.3	L397 M398 H400 A436 Y441	L397-F434 VanDerWaalsContact CA-O 3.31Å; L397-F434 WeakPolarHBondContact CA-O 3.31Å; M398-F434 PolarHBondContact N-O 3.34Å; M398-F434 PolarHBondContact O-N 3.41Å; H400-F434 HydrophobicContact CB-CB 4.08Å; F434-A436 HydrophobicContact CE1-CB 4.23Å; F434-Y441 HydrophobicContact CB-CD1 3.97Å; F434-Y441 HydrophobicContact CB-CE1 3.67Å; F434-Y441 HydrophobicContact CD2-CD1 4.08Å; F434-Y441 HydrophobicContact CD2-CD2 4.08Å; F434-Y441 AromaticContact CD2-CE1 3.7Å; F434-Y441 HydrophobicContact CD2-CE1 3.7Å; F434-Y441 AromaticContact CD2-CE2 3.67Å; F434-Y441 HydrophobicContact CD2-CE2 3.67Å; F434-Y441 HydrophobicContact CD2-CG 4.26Å; F434-Y441 AromaticContact CD2-CZ 3.47Å; F434-Y441 VanDerWaalsContact CD2-CZ 3.47Å; F434-Y441 HydrophobicContact CE2-CE2 4.03Å; F434-Y441 HydrophobicContact CG-CE1 4.02Å
435	E	90.5	Very high	91.7	Very high	24 Å²	24	57 Å²	57	11%	0.112	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.5	173.1	-174	172.9	-145.2	0	0	110	K395 L397 A437 T438 S439 K440	K395-E435 VanDerWaalsContact CD-OE1 3.24Å; K395-E435 WeakPolarHBondContact CD-OE1 3.27Å; K395-E435 VanDerWaalsContact CG-OE1 3.26Å; K395-E435 WeakPolarHBondContact CG-OE1 3.41Å; L397-E435 HydrophobicContact CD2-CB 3.58Å; L397-E435 HydrophobicContact CD2-CG 3.87Å; E435-A437 VanDerWaalsContact C-N 3.33Å; E435-A437 PolarHBondContact O-N 2.85Å; E435-T438 VanDerWaalsContact CD-OG1 3.28Å; E435-T438 HydrophobicContact CG-CG2 4.44Å; E435-T438 WeakPolarHBondContact CG-OG1 3.49Å; E435-T438 PolarHBondContact O-N 3.04Å; E435-T438 PolarHBondContact OE2-OG1 3.28Å; E435-S439 WeakPolarHBondContact O-CA 3.49Å; E435-S439 PolarHBondContact O-N 2.91Å; E435-K440 PolarHBondContact N-O 3.39Å; E435-K440 PolarHBondContact O-N 2.94Å
436	A	85.7	Confident	91.6	Very high	45 Å²	45	50.3 Å²	50.3	37%	0.372	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-38.4	-174.8	0	0	0	0	0	112.7	D396 F434 T438	D396-A436 PolarHBondContact O-N 3.24Å; D396-A436 VanDerWaalsContact O-N 3.11Å; F434-A436 HydrophobicContact CE1-CB 4.23Å; A436-T438 PolarHBondContact O-N 3.42Å
437	A	86.1	Confident	91.5	Very high	88 Å²	88	54 Å²	54	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.9	-176.8	0	0	0	0	0	113.7	E435	E435-A437 VanDerWaalsContact C-N 3.33Å; E435-A437 PolarHBondContact O-N 2.85Å
438	T	86.9	Confident	91.2	Very high	79 Å²	79	52.1 Å²	52.1	49%	0.485	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-5.2	-176.5	62.4	0	0	0	0	112.9	E435 A436 K440	E435-T438 VanDerWaalsContact CD-OG1 3.28Å; E435-T438 HydrophobicContact CG-CG2 4.44Å; E435-T438 WeakPolarHBondContact CG-OG1 3.49Å; E435-T438 PolarHBondContact O-N 3.04Å; E435-T438 PolarHBondContact OE2-OG1 3.28Å; A436-T438 PolarHBondContact O-N 3.42Å; T438-K440 PolarHBondContact O-N 3.13Å; T438-K440 VanDerWaalsContact OG1-CB 3.31Å; T438-K440 WeakPolarHBondContact OG1-CB 3.44Å; T438-K440 PolarHBondContact OG1-N 3.27Å
439	S	86.7	Confident	90.8	Very high	89 Å²	89	53.8 Å²	53.8	62%	0.622	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	32.9	-170.8	-64.1	0	0	0	0	113.4	E435	E435-S439 WeakPolarHBondContact O-CA 3.49Å; E435-S439 PolarHBondContact O-N 2.91Å
440	K	90.2	Very high	90.4	Very high	131 Å²	131	54.3 Å²	54.3	57%	0.57	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	133.7	-175.3	-171.5	176.2	178.3	177.5	0	111.6	E435 T438	E435-K440 PolarHBondContact N-O 3.39Å; E435-K440 PolarHBondContact O-N 2.94Å; T438-K440 PolarHBondContact O-N 3.13Å; T438-K440 VanDerWaalsContact OG1-CB 3.31Å; T438-K440 WeakPolarHBondContact OG1-CB 3.44Å; T438-K440 PolarHBondContact OG1-N 3.27Å
441	Y	91.7	Very high	90.4	Very high	56 Å²	56	57.6 Å²	57.6	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.8	168.9	-70	-86.8	0	0	0	110.9	H400 D402 P403 F434	H400-Y441 HydrophobicContact CB-CE1 4.31Å; H400-Y441 AromaticContact ND1-CE1 3.6Å; H400-Y441 AromaticContact ND1-CZ 3.94Å; H400-Y441 PolarHBondContact ND1-OH 2.87Å; D402-Y441 HydrophobicContact CB-CD1 3.82Å; D402-Y441 HydrophobicContact CB-CD2 3.83Å; D402-Y441 HydrophobicContact CB-CE1 4.24Å; D402-Y441 HydrophobicContact CB-CE2 4.28Å; D402-Y441 HydrophobicContact CB-CG 3.59Å; D402-Y441 VanDerWaalsContact CG-CD2 3.41Å; D402-Y441 WeakPolarHBondContact OD2-CD2 3.36Å; P403-Y441 VanDerWaalsContact CD-OH 3.31Å; P403-Y441 WeakPolarHBondContact CD-OH 3.37Å; F434-Y441 HydrophobicContact CB-CD1 3.97Å; F434-Y441 HydrophobicContact CB-CE1 3.67Å; F434-Y441 HydrophobicContact CD2-CD1 4.08Å; F434-Y441 HydrophobicContact CD2-CD2 4.08Å; F434-Y441 AromaticContact CD2-CE1 3.7Å; F434-Y441 HydrophobicContact CD2-CE1 3.7Å; F434-Y441 AromaticContact CD2-CE2 3.67Å; F434-Y441 HydrophobicContact CD2-CE2 3.67Å; F434-Y441 HydrophobicContact CD2-CG 4.26Å; F434-Y441 AromaticContact CD2-CZ 3.47Å; F434-Y441 VanDerWaalsContact CD2-CZ 3.47Å; F434-Y441 HydrophobicContact CE2-CE2 4.03Å; F434-Y441 HydrophobicContact CG-CE1 4.02Å
442	T	91.4	Very high	90.4	Very high	54 Å²	54	57.7 Å²	57.7	33%	0.331	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.3	174.2	-58.4	0	0	0	0	109.3	F433	F433-T442 HydrophobicContact CE1-CG2 4.39Å; F433-T442 HydrophobicContact CE2-CG2 3.62Å; F433-T442 HydrophobicContact CZ-CG2 3.51Å; F433-T442 PolarHBondContact N-O 3.46Å; F433-T442 PolarHBondContact O-N 2.94Å
443	V	92.8	Very high	90.6	Very high	62 Å²	62	61.3 Å²	61.3	38%	0.376	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127	177.9	-179.6	0	0	0	0	109.3	L408 P429 C432	L408-V443 HydrophobicContact CD1-CG2 3.97Å; L408-V443 HydrophobicContact CD2-CG1 4.43Å; L408-V443 HydrophobicContact CD2-CG2 4.12Å; P429-V443 HydrophobicContact CB-CG1 3.78Å; P429-V443 HydrophobicContact CG-CG1 4.3Å; C432-V443 HydrophobicContact CB-CG2 4.3Å
444	K	92.5	Very high	90.8	Very high	62 Å²	62	60.8 Å²	60.8	27%	0.27	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.1	170.2	-169.6	173.5	-179.1	178.1	0	108.7	I385 L430 V431 F433	I385-K444 HydrophobicContact CD1-CD 4.35Å; L430-K444 WeakPolarHBondContact CA-O 3.45Å; L430-K444 WeakPolarHBondContact CB-O 3.4Å; L430-K444 PolarHBondContact N-O 3.27Å; V431-K444 PolarHBondContact N-O 2.76Å; V431-K444 VanDerWaalsContact N-O 3.14Å; V431-K444 PolarHBondContact O-N 3.2Å; F433-K444 HydrophobicContact CE1-CB 4.28Å
445	S	93.9	Very high	91	Very high	47 Å²	47	60.3 Å²	60.3	33%	0.329	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	158.2	178.6	55.3	0	0	0	0	113	G427 E428 R447	G427-S445 WeakPolarHBondContact O-CB 3.1Å; E428-S445 CarbonylContact O-C 3.57Å; E428-S445 WeakPolarHBondContact O-CA 3.15Å; E428-S445 WeakPolarHBondContact O-CB 3.27Å; S445-R447 PolarHBondContact O-N 3.5Å
446	Y	93.7	Very high	91.2	Very high	8 Å²	8	60.4 Å²	60.4	3%	0.031	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-70.2	117.8	170.5	-174	-103.7	0	0	0	110.2	C424 G427 E428 L430 S448 E450 F476	C424-Y446 HydrophobicContact CB-CD1 4.27Å; C424-Y446 HydrophobicContact CB-CD2 4.13Å; C424-Y446 HydrophobicContact CB-CE2 4.44Å; C424-Y446 HydrophobicContact CB-CG 4.03Å; G427-Y446 PolarHBondContact N-O 3.08Å; E428-Y446 PolarHBondContact O-N 2.9Å; L430-Y446 HydrophobicContact CD2-CD2 4.37Å; Y446-S448 VanDerWaalsContact CE1-O 3.29Å; Y446-S448 WeakPolarHBondContact CE1-O 3.48Å; Y446-S448 VanDerWaalsContact OH-CB 3.24Å; Y446-S448 WeakPolarHBondContact OH-CB 3.32Å; Y446-E450 WeakPolarHBondContact CE1-O 3.38Å; Y446-E450 PolarHBondContact OH-O 3.26Å; Y446-E450 VanDerWaalsContact OH-O 3.1Å; Y446-F476 HydrophobicContact CD2-CD1 4.43Å; Y446-F476 AromaticContact CD2-CE1 3.8Å; Y446-F476 HydrophobicContact CD2-CE1 3.8Å; Y446-F476 HydrophobicContact CD2-CE2 4.38Å; Y446-F476 AromaticContact CD2-CZ 3.77Å; Y446-F476 HydrophobicContact CD2-CZ 3.77Å; Y446-F476 AromaticContact CE2-CD1 3.76Å; Y446-F476 HydrophobicContact CE2-CD1 3.76Å; Y446-F476 HydrophobicContact CE2-CD2 4.1Å; Y446-F476 AromaticContact CE2-CE1 3.56Å; Y446-F476 HydrophobicContact CE2-CE1 3.56Å; Y446-F476 AromaticContact CE2-CE2 3.94Å; Y446-F476 HydrophobicContact CE2-CE2 3.94Å; Y446-F476 HydrophobicContact CE2-CG 4.02Å; Y446-F476 AromaticContact CE2-CZ 3.66Å; Y446-F476 HydrophobicContact CE2-CZ 3.66Å
447	R	88.7	Confident	91.6	Very high	202 Å²	202	59.8 Å²	59.8	76%	0.762	33%	0.327	S	S	*	.			trans	-100.2	4.2	-173.3	-61.8	-175.3	179.9	178.6	-2	114.7	S445	S445-R447 PolarHBondContact O-N 3.5Å
448	S	87.2	Confident	92	Very high	15 Å²	15	57.9 Å²	57.9	11%	0.105	30%	0.303	C	S	.	.			trans	-85.3	133.2	179.2	-149.5	0	0	0	0	108.6	K381 E426 Y446 E450	K381-S448 PolarHBondContact NZ-OG 2.85Å; K381-S448 VanDerWaalsContact NZ-OG 3.17Å; E426-S448 WeakPolarHBondContact CB-O 3.46Å; Y446-S448 VanDerWaalsContact CE1-O 3.29Å; Y446-S448 WeakPolarHBondContact CE1-O 3.48Å; Y446-S448 VanDerWaalsContact OH-CB 3.24Å; Y446-S448 WeakPolarHBondContact OH-CB 3.32Å; S448-E450 PolarHBondContact O-N 3.2Å
449	S	85.7	Confident	92.3	Very high	77 Å²	77	58.5 Å²	58.5	54%	0.538	31%	0.306	S	S	.	.	S	Bend	trans	-66.7	-16.7	174.6	59.9	0	0	0	0	113.5	E426	E426-S449 WeakPolarHBondContact OE2-CA 3.47Å
450	E	87.8	Confident	92.5	Very high	33 Å²	33	57.2 Å²	57.2	15%	0.154	29%	0.292	C	S	.	.	S	Bend	trans	-100.5	128.8	-178.9	-61.6	-179.5	146.2	0	0	109.5	Y446 S448 L478 R480	Y446-E450 WeakPolarHBondContact CE1-O 3.38Å; Y446-E450 PolarHBondContact OH-O 3.26Å; Y446-E450 VanDerWaalsContact OH-O 3.1Å; S448-E450 PolarHBondContact O-N 3.2Å; E450-L478 HydrophobicContact CB-CD2 3.79Å; E450-L478 WeakPolarHBondContact OE2-CD2 3.44Å; E450-R480 VanDerWaalsContact CD-NH1 3.29Å; E450-R480 IonicContact OE1-CZ 3.99Å; E450-R480 IonicContact OE1-NH1 3.58Å; E450-R480 PolarHBondContact OE1-NH1 2.87Å; E450-R480 IonicContact OE1-NH2 3.89Å; E450-R480 PolarHBondContact OE1-NH2 3.36Å; E450-R480 IonicContact OE2-CZ 3.25Å; E450-R480 IonicContact OE2-NH1 2.6Å; E450-R480 IonicContact OE2-NH2 2.58Å; E450-R480 PolarHBondContact OE2-NH2 2.9Å
451	P	93.6	Very high	92.3	Very high	76 Å²	76	53.8 Å²	53.8	49%	0.494	29%	0.293	S	S	.	.			trans	-66.8	144.2	176.5	30.2	-35	0	0	0	110.2	L423 C424 R425	L423-P451 HydrophobicContact CD1-CB 4.02Å; C424-P451 VanDerWaalsContact O-CA 3.31Å; C424-P451 WeakPolarHBondContact O-CA 3.34Å; R425-P451 HydrophobicContact CG-CB 4.4Å
452	G	95.3	Very high	91.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.8	-179.9	0	0	0	0	0	111.8	C424	C424-G452 PolarHBondContact N-O 3.27Å; C424-G452 PolarHBondContact O-N 3Å; C424-G452 VanDerWaalsContact O-N 3.14Å
453	Y	97.3	Very high	91.2	Very high	77 Å²	77	58.6 Å²	58.6	30%	0.302	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.5	174.2	-64.1	-84.7	0	0	0	110	R422 L423 D455 F476 R477 E479	R422-Y453 CarbonylContact O-C 3.55Å; R422-Y453 VanDerWaalsContact O-CA 3.31Å; R422-Y453 WeakPolarHBondContact O-CA 3.24Å; L423-Y453 HydrophobicContact CB-CD1 3.97Å; L423-Y453 HydrophobicContact CB-CE1 3.78Å; L423-Y453 HydrophobicContact CD1-CD1 4.09Å; L423-Y453 HydrophobicContact CD1-CD2 4.23Å; L423-Y453 HydrophobicContact CD1-CE1 3.89Å; L423-Y453 HydrophobicContact CD1-CE2 4.04Å; L423-Y453 HydrophobicContact CD1-CG 4.26Å; L423-Y453 HydrophobicContact CG-CE1 4.31Å; Y453-D455 PolarHBondContact O-N 2.83Å; Y453-F476 CarbonylContact O-C 3.5Å; Y453-F476 VanDerWaalsContact O-CA 3.23Å; Y453-F476 WeakPolarHBondContact O-CA 3.49Å; Y453-R477 PolarHBondContact N-O 2.86Å; Y453-R477 PolarHBondContact O-N 2.86Å; Y453-E479 HydrophobicContact CE2-CG 4.46Å
454	V	96.8	Very high	90.5	Very high	1 Å²	1	61 Å²	61	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	112.6	169.2	-180	0	0	0	0	108.2	P418 Y419 S421 R422 V457 I474 F476	P418-V454 HydrophobicContact CB-CG2 4.17Å; P418-V454 HydrophobicContact CG-CG1 4.39Å; P418-V454 HydrophobicContact CG-CG2 4.26Å; Y419-V454 WeakPolarHBondContact O-CB 3.34Å; S421-V454 VanDerWaalsContact CA-O 3.29Å; S421-V454 WeakPolarHBondContact CA-O 3.4Å; S421-V454 PolarHBondContact N-O 3.13Å; R422-V454 PolarHBondContact O-N 3.4Å; V454-V457 HydrophobicContact CG1-CG2 3.81Å; V454-I474 HydrophobicContact CG1-CG2 4.19Å; V454-F476 HydrophobicContact CG2-CD1 4.3Å; V454-F476 HydrophobicContact CG2-CE1 4.08Å
455	D	95.7	Very high	89.6	Confident	40 Å²	40	61.1 Å²	61.1	21%	0.214	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-47.8	-178.2	-170.4	82.1	0	0	0	111.3	I420 Y453 T475 R477	I420-D455 WeakPolarHBondContact CG2-O 3.48Å; Y453-D455 PolarHBondContact O-N 2.83Å; D455-T475 HydrophobicContact CB-CG2 4.44Å; D455-T475 WeakPolarHBondContact CB-O 3.48Å; D455-T475 PolarHBondContact N-O 3.38Å; D455-R477 HydrophobicContact CB-CB 4.06Å; D455-R477 IonicContact OD1-NH1 3.61Å
456	N	94.8	Very high	88.6	Confident	25 Å²	25	65.8 Å²	65.8	13%	0.134	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.5	176.4	58.3	73	0	0	0	111.3	T475	N456-T475 PolarHBondContact N-O 2.82Å; N456-T475 PolarHBondContact O-N 3.29Å; N456-T475 VanDerWaalsContact OD1-CB 3.26Å; N456-T475 WeakPolarHBondContact OD1-CB 3.25Å; N456-T475 PolarHBondContact OD1-OG1 3.15Å
457	V	95.5	Very high	87.6	Confident	32 Å²	32	72.6 Å²	72.6	19%	0.194	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.1	173.7	-178.2	0	0	0	0	107.3	L417 P418 I420 V454 V472 I474	L417-V457 HydrophobicContact CD1-CG1 4Å; P418-V457 HydrophobicContact CG-CG2 4.27Å; I420-V457 HydrophobicContact CG1-CG2 4.46Å; V454-V457 HydrophobicContact CG1-CG2 3.81Å; V457-V472 HydrophobicContact CG1-CG1 3.57Å; V457-I474 HydrophobicContact CG1-CG1 4.41Å; V457-I474 HydrophobicContact CG2-CG2 4.44Å
458	K	94.5	Very high	87	Confident	49 Å²	49	66.6 Å²	66.6	21%	0.213	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.7	179.6	-65.2	-179.9	179.6	-179.2	0	109.4	P310 Y311 R312 V472 C473	P310-K458 VanDerWaalsContact O-CE 3.3Å; P310-K458 WeakPolarHBondContact O-CE 3.3Å; P310-K458 PolarHBondContact O-NZ 3.44Å; Y311-K458 PolarHBondContact O-NZ 2.95Å; Y311-K458 VanDerWaalsContact O-NZ 3.14Å; R312-K458 PolarHBondContact O-NZ 3.07Å; K458-V472 CarbonylContact O-C 3.59Å; K458-V472 WeakPolarHBondContact O-CA 3.49Å; K458-C473 HydrophobicContact CB-CB 4.24Å; K458-C473 PolarHBondContact N-O 3.36Å; K458-C473 PolarHBondContact O-N 2.8Å
459	V	92.3	Very high	86.8	Confident	91 Å²	91	68.3 Å²	68.3	55%	0.552	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.2	175	176.8	0	0	0	0	107.8	L417 L469	L417-V459 HydrophobicContact CD1-CG2 4.4Å; V459-L469 HydrophobicContact CB-CD1 4.37Å; V459-L469 HydrophobicContact CG1-CD1 3.31Å; V459-L469 HydrophobicContact CG1-CD2 3.75Å; V459-L469 HydrophobicContact CG1-CG 4.09Å; V459-L469 HydrophobicContact CG2-CD2 4.36Å
460	I	90.6	Very high	86.8	Confident	63 Å²	63	66.6 Å²	66.6	32%	0.323	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105.7	-176.5	-56.7	168	0	0	0	107.9	H471 C473	I460-H471 HydrophobicContact CB-CB 4.02Å; I460-H471 WeakPolarHBondContact CB-O 3.23Å; I460-H471 HydrophobicContact CG2-CB 4.45Å; I460-H471 PolarHBondContact N-O 3.21Å; I460-C473 HydrophobicContact CD1-CB 4.12Å
461	G	86.3	Confident	87	Confident	58 Å²	58	67.2 Å²	67.2	60%	0.598	38%	0.382	S	S	*	.			trans	-70	162.2	176.1	0	0	0	0	0	112.7
462	S	81.6	Confident	87	Confident	42 Å²	42	63.6 Å²	63.6	29%	0.294	36%	0.359	S	S	.	.			trans	-69.7	148.9	167.6	57.6	0	0	0	0	110.8	D464 G465	S462-D464 PolarHBondContact O-N 2.94Å; S462-D464 VanDerWaalsContact O-N 3.16Å; S462-G465 PolarHBondContact O-N 2.79Å; S462-G465 PolarHBondContact OG-N 2.73Å
463	N	78.4	Confident	87	Confident	170 Å²	170	63.6 Å²	63.6	91%	0.909	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-35.2	176.5	-67.4	-11.9	0	0	0	112.8	G465	N463-G465 VanDerWaalsContact C-N 3.35Å
464	D	77.8	Confident	86.9	Confident	112 Å²	112	59.9 Å²	59.9	60%	0.599	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.3	-177.2	-49.5	-32.9	0	0	0	113	S462 L466	S462-D464 PolarHBondContact O-N 2.94Å; S462-D464 VanDerWaalsContact O-N 3.16Å; D464-L466 HydrophobicContact CB-CD1 4.31Å; D464-L466 WeakPolarHBondContact O-CG 3.48Å; D464-L466 PolarHBondContact O-N 2.76Å
465	G	74.4	Confident	86.9	Confident	64 Å²	64	60.1 Å²	60.1	66%	0.66	35%	0.345	S	S	*	.	S	Bend	trans	64.6	-1.5	-177.2	0	0	0	0	0	116.6	S462 N463	S462-G465 PolarHBondContact O-N 2.79Å; S462-G465 PolarHBondContact OG-N 2.73Å; N463-G465 VanDerWaalsContact C-N 3.35Å
466	L	72.3	Confident	86.9	Confident	146 Å²	146	58.3 Å²	58.3	76%	0.764	34%	0.335	S	S	*	.			trans	-87.2	-15	-172.1	-69.8	167.2	0	0	0	114.5	D464	D464-L466 HydrophobicContact CB-CD1 4.31Å; D464-L466 WeakPolarHBondContact O-CG 3.48Å; D464-L466 PolarHBondContact O-N 2.76Å
467	Y	72.6	Confident	87	Confident	151 Å²	151	61.1 Å²	61.1	59%	0.592	34%	0.344	S	S	*	.	S	Bend	trans	-103.5	144.8	-171.7	-59.8	-77.9	0	0	0	112.2
468	C	76.3	Confident	87	Confident	75 Å²	75	59.9 Å²	59.9	51%	0.507	34%	0.337	S	S	.	.			trans	-54.2	156	169.8	-66.4	0	0	0	0	111.5	M398 K470	M398-C468 HydrophobicContact SD-CB 4.44Å; C468-K470 WeakPolarHBondContact O-CG 3.45Å; C468-K470 PolarHBondContact O-N 2.91Å
469	L	83	Confident	87	Confident	52 Å²	52	62.5 Å²	62.5	27%	0.272	35%	0.35	S	S	.	.			trans	-58.8	112.7	-179.6	178.5	59.9	0	0	0	111.6	F399 L417 V459 H471 V472	F399-L469 HydrophobicContact CD2-CB 4.47Å; F399-L469 HydrophobicContact CD2-CD2 3.96Å; F399-L469 HydrophobicContact CD2-CG 3.79Å; F399-L469 WeakPolarHBondContact CD2-O 3.44Å; F399-L469 HydrophobicContact CE2-CG 4.14Å; L417-L469 HydrophobicContact CD1-CD2 4.47Å; V459-L469 HydrophobicContact CB-CD1 4.37Å; V459-L469 HydrophobicContact CG1-CD1 3.31Å; V459-L469 HydrophobicContact CG1-CD2 3.75Å; V459-L469 HydrophobicContact CG1-CG 4.09Å; V459-L469 HydrophobicContact CG2-CD2 4.36Å; L469-H471 WeakPolarHBondContact CD1-O 3.46Å; L469-V472 HydrophobicContact CD1-CG2 4.13Å; L469-V472 HydrophobicContact CD2-CG2 3.9Å; L469-V472 HydrophobicContact CG-CG2 4.13Å
470	K	86.5	Confident	87	Confident	40 Å²	40	59.4 Å²	59.4	17%	0.174	33%	0.328	C	S	.	.			trans	-118.4	-8.5	176.9	-68.9	-169.2	-179.7	-168.7	0	114.1	N386 L387 N388 D396 C468	N386-K470 CarbonylContact C-O 3.59Å; N386-K470 WeakPolarHBondContact CA-O 3.32Å; L387-K470 HydrophobicContact CB-CB 4.14Å; L387-K470 HydrophobicContact CB-CG 4.41Å; L387-K470 PolarHBondContact N-O 3.23Å; N388-K470 WeakPolarHBondContact OD1-CD 3.31Å; D396-K470 IonicContact OD1-NZ 3.79Å; D396-K470 PolarHBondContact OD1-NZ 3.12Å; C468-K470 WeakPolarHBondContact O-CG 3.45Å; C468-K470 PolarHBondContact O-N 2.91Å
471	H	90.7	Very high	87.2	Confident	46 Å²	46	62.8 Å²	62.8	21%	0.213	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.9	-175.2	-171.3	-168	0	0	0	112.1	I460 L469	I460-H471 HydrophobicContact CB-CB 4.02Å; I460-H471 WeakPolarHBondContact CB-O 3.23Å; I460-H471 HydrophobicContact CG2-CB 4.45Å; I460-H471 PolarHBondContact N-O 3.21Å; L469-H471 WeakPolarHBondContact CD1-O 3.46Å
472	V	93.7	Very high	87.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.5	177.9	178.7	0	0	0	0	110.2	I385 F399 L417 V457 K458 L469 I474	I385-V472 PolarHBondContact N-O 3.2Å; I385-V472 PolarHBondContact O-N 2.83Å; F399-V472 HydrophobicContact CD2-CG2 4.08Å; F399-V472 HydrophobicContact CE2-CB 4.41Å; F399-V472 HydrophobicContact CE2-CG2 3.61Å; F399-V472 HydrophobicContact CZ-CB 4.33Å; F399-V472 HydrophobicContact CZ-CG2 3.99Å; L417-V472 HydrophobicContact CD1-CG1 4.45Å; L417-V472 HydrophobicContact CD1-CG2 4.25Å; L417-V472 HydrophobicContact CD2-CG1 4.22Å; L417-V472 HydrophobicContact CD2-CG2 4.08Å; V457-V472 HydrophobicContact CG1-CG1 3.57Å; K458-V472 CarbonylContact O-C 3.59Å; K458-V472 WeakPolarHBondContact O-CA 3.49Å; L469-V472 HydrophobicContact CD1-CG2 4.13Å; L469-V472 HydrophobicContact CD2-CG2 3.9Å; L469-V472 HydrophobicContact CG-CG2 4.13Å; V472-I474 HydrophobicContact CG1-CG1 3.99Å
473	C	95.3	Very high	88.1	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.9	170.9	-175.5	0	0	0	0	110.4	T383 R384 K458 I460	T383-C473 WeakPolarHBondContact O-CA 3.24Å; R384-C473 HydrophobicContact CG-CB 4.19Å; K458-C473 HydrophobicContact CB-CB 4.24Å; K458-C473 PolarHBondContact N-O 3.36Å; K458-C473 PolarHBondContact O-N 2.8Å; I460-C473 HydrophobicContact CD1-CB 4.12Å
474	I	95.9	Very high	88.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.6	-179.7	-54.9	170	0	0	0	108.2	S382 T383 I385 P418 L430 V431 V454 V457 V472 F476	S382-I474 CarbonylContact C-O 3.57Å; S382-I474 WeakPolarHBondContact CA-O 3.33Å; T383-I474 PolarHBondContact N-O 2.91Å; T383-I474 PolarHBondContact O-N 3.11Å; I385-I474 HydrophobicContact CD1-CD1 4.16Å; P418-I474 HydrophobicContact CG-CD1 4.01Å; P418-I474 HydrophobicContact CG-CG2 4.36Å; L430-I474 HydrophobicContact CD1-CD1 4.19Å; L430-I474 HydrophobicContact CD2-CD1 4.47Å; L430-I474 HydrophobicContact CG-CD1 4.19Å; V431-I474 HydrophobicContact CG2-CD1 3.49Å; V431-I474 VanDerWaalsContact CG2-CD1 3.49Å; V454-I474 HydrophobicContact CG1-CG2 4.19Å; V457-I474 HydrophobicContact CG1-CG1 4.41Å; V457-I474 HydrophobicContact CG2-CG2 4.44Å; V472-I474 HydrophobicContact CG1-CG1 3.99Å; I474-F476 HydrophobicContact CB-CE2 4.35Å; I474-F476 HydrophobicContact CB-CZ 4.28Å; I474-F476 HydrophobicContact CG2-CE1 3.92Å; I474-F476 HydrophobicContact CG2-CE2 3.98Å; I474-F476 HydrophobicContact CG2-CZ 3.59Å
475	T	96.7	Very high	89.6	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.2	176.4	-54.5	0	0	0	0	109.9	Y380 S382 D455 N456	Y380-T475 HydrophobicContact CD1-CG2 4.25Å; S382-T475 PolarHBondContact OG-OG1 2.93Å; D455-T475 HydrophobicContact CB-CG2 4.44Å; D455-T475 WeakPolarHBondContact CB-O 3.48Å; D455-T475 PolarHBondContact N-O 3.38Å; N456-T475 PolarHBondContact N-O 2.82Å; N456-T475 PolarHBondContact O-N 3.29Å; N456-T475 VanDerWaalsContact OD1-CB 3.26Å; N456-T475 WeakPolarHBondContact OD1-CB 3.25Å; N456-T475 PolarHBondContact OD1-OG1 3.15Å
476	F	96.7	Very high	90.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.4	175.5	-56.6	-82.7	0	0	0	111	Y380 K381 L430 Y446 Y453 V454 I474 L478	Y380-F476 CarbonylContact C-O 3.08Å; Y380-F476 VanDerWaalsContact CA-O 3.25Å; Y380-F476 WeakPolarHBondContact CA-O 3.5Å; K381-F476 PolarHBondContact N-O 3.32Å; K381-F476 WeakPolarHBondContact O-CD2 3.07Å; K381-F476 PolarHBondContact O-N 3.33Å; L430-F476 HydrophobicContact CD1-CE1 3.66Å; L430-F476 HydrophobicContact CD1-CZ 3.45Å; L430-F476 VanDerWaalsContact CD1-CZ 3.45Å; L430-F476 HydrophobicContact CD2-CZ 3.8Å; L430-F476 HydrophobicContact CG-CZ 4.25Å; Y446-F476 HydrophobicContact CD2-CD1 4.43Å; Y446-F476 AromaticContact CD2-CE1 3.8Å; Y446-F476 HydrophobicContact CD2-CE1 3.8Å; Y446-F476 HydrophobicContact CD2-CE2 4.38Å; Y446-F476 AromaticContact CD2-CZ 3.77Å; Y446-F476 HydrophobicContact CD2-CZ 3.77Å; Y446-F476 AromaticContact CE2-CD1 3.76Å; Y446-F476 HydrophobicContact CE2-CD1 3.76Å; Y446-F476 HydrophobicContact CE2-CD2 4.1Å; Y446-F476 AromaticContact CE2-CE1 3.56Å; Y446-F476 HydrophobicContact CE2-CE1 3.56Å; Y446-F476 AromaticContact CE2-CE2 3.94Å; Y446-F476 HydrophobicContact CE2-CE2 3.94Å; Y446-F476 HydrophobicContact CE2-CG 4.02Å; Y446-F476 AromaticContact CE2-CZ 3.66Å; Y446-F476 HydrophobicContact CE2-CZ 3.66Å; Y453-F476 CarbonylContact O-C 3.5Å; Y453-F476 VanDerWaalsContact O-CA 3.23Å; Y453-F476 WeakPolarHBondContact O-CA 3.49Å; V454-F476 HydrophobicContact CG2-CD1 4.3Å; V454-F476 HydrophobicContact CG2-CE1 4.08Å; I474-F476 HydrophobicContact CB-CE2 4.35Å; I474-F476 HydrophobicContact CB-CZ 4.28Å; I474-F476 HydrophobicContact CG2-CE1 3.92Å; I474-F476 HydrophobicContact CG2-CE2 3.98Å; I474-F476 HydrophobicContact CG2-CZ 3.59Å; F476-L478 HydrophobicContact CB-CD1 3.97Å
477	R	96	Very high	91.7	Very high	85 Å²	85	44.3 Å²	44.3	32%	0.321	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.4	172.4	-168	176.6	74.1	-154.7	6.6	109.7	V378 Y380 Y453 D455	V378-R477 HydrophobicContact CG1-CB 4.44Å; V378-R477 HydrophobicContact CG1-CG 3.15Å; Y380-R477 HydrophobicContact CD1-CB 4.49Å; Y380-R477 HydrophobicContact CD1-CG 4.43Å; Y380-R477 HydrophobicContact CE1-CB 4.39Å; Y380-R477 HydrophobicContact CE1-CG 4.02Å; Y453-R477 PolarHBondContact N-O 2.86Å; Y453-R477 PolarHBondContact O-N 2.86Å; D455-R477 HydrophobicContact CB-CB 4.06Å; D455-R477 IonicContact OD1-NH1 3.61Å
478	L	95.2	Very high	92.8	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.4	179.7	-63.2	83.1	0	0	0	108.9	V378 I379 K381 E450 F476	V378-L478 CarbonylContact C-O 3.5Å; V378-L478 WeakPolarHBondContact CA-O 3.31Å; I379-L478 HydrophobicContact CB-CB 4.3Å; I379-L478 PolarHBondContact N-O 2.75Å; I379-L478 WeakPolarHBondContact O-CD1 3.46Å; I379-L478 PolarHBondContact O-N 2.9Å; K381-L478 HydrophobicContact CB-CD1 3.98Å; E450-L478 HydrophobicContact CB-CD2 3.79Å; E450-L478 WeakPolarHBondContact OE2-CD2 3.44Å; F476-L478 HydrophobicContact CB-CD1 3.97Å
479	E	93.9	Very high	93.7	Very high	104 Å²	104	33.7 Å²	33.7	49%	0.486	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.3	178.3	-67.6	179.2	-175.9	0	0	111.3	Y453	Y453-E479 HydrophobicContact CE2-CG 4.46Å
480	R	93.7	Very high	94.3	Very high	25 Å²	25	31.2 Å²	31.2	9%	0.094	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	90.9	-178.7	-61.7	-60.1	-166.8	170.9	15	110.3	A377 I379 E450 R606 M610 S612 D613	A377-R480 HydrophobicContact CB-CB 4.23Å; A377-R480 PolarHBondContact N-O 2.8Å; A377-R480 CarbonylContact O-C 3.51Å; A377-R480 WeakPolarHBondContact O-CA 3.38Å; A377-R480 WeakPolarHBondContact O-CB 3.39Å; A377-R480 PolarHBondContact O-N 3.23Å; I379-R480 HydrophobicContact CD1-CG 3.81Å; I379-R480 HydrophobicContact CG1-CG 3.85Å; E450-R480 VanDerWaalsContact CD-NH1 3.29Å; E450-R480 IonicContact OE1-CZ 3.99Å; E450-R480 IonicContact OE1-NH1 3.58Å; E450-R480 PolarHBondContact OE1-NH1 2.87Å; E450-R480 IonicContact OE1-NH2 3.89Å; E450-R480 PolarHBondContact OE1-NH2 3.36Å; E450-R480 IonicContact OE2-CZ 3.25Å; E450-R480 IonicContact OE2-NH1 2.6Å; E450-R480 IonicContact OE2-NH2 2.58Å; E450-R480 PolarHBondContact OE2-NH2 2.9Å; R480-R606 PolarHBondContact O-NH1 2.84Å; R480-M610 HydrophobicContact CB-SD 4.13Å; R480-M610 VanDerWaalsContact CD-SD 3.6Å; R480-M610 HydrophobicContact CG-CE 4.48Å; R480-M610 HydrophobicContact CG-SD 3.75Å; R480-S612 PolarHBondContact NH1-OG 2.77Å; R480-D613 IonicContact CZ-OD1 2.97Å; R480-D613 IonicContact NH1-OD1 2.77Å; R480-D613 IonicContact NH2-OD1 3.03Å; R480-D613 PolarHBondContact NH2-OD1 3.48Å
481	K	93.8	Very high	94.8	Very high	135 Å²	135	29.7 Å²	29.7	59%	0.587	15%	0.146	S	C	*	.			trans	-72	150.8	165.6	-60.1	-176.9	-178.3	-177.5	0	109.9	N376 V483 R606	N376-K481 WeakPolarHBondContact OD1-CA 3.43Å; K481-V483 PolarHBondContact O-N 2.95Å; K481-R606 PolarHBondContact O-NH2 3.24Å
482	P	93.9	Very high	95.1	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.032	14%	0.136	C	C	.	.			trans	-56.7	128.4	167.5	-24.4	33.4	0	0	0	110.6	F374 A375 N376 F488	F374-P482 WeakPolarHBondContact O-CG 3.34Å; A375-P482 HydrophobicContact CB-CG 4.36Å; N376-P482 WeakPolarHBondContact OD1-CD 3.32Å; P482-F488 HydrophobicContact CB-CZ 4.03Å; P482-F488 HydrophobicContact CG-CZ 4.31Å
483	V	93.6	Very high	95.1	Very high	63 Å²	63	27.9 Å²	27.9	38%	0.382	14%	0.139	S	C	.	.			trans	-124.2	165.9	175.7	-65.3	0	0	0	0	110.5	K481 G485 D486 N498	K481-V483 PolarHBondContact O-N 2.95Å; V483-G485 PolarHBondContact O-N 3.06Å; V483-D486 PolarHBondContact N-OD2 3.14Å; V483-D486 WeakPolarHBondContact O-CB 3.45Å; V483-D486 PolarHBondContact O-N 3.21Å; V483-N498 PolarHBondContact O-ND2 3.45Å; V483-N498 VanDerWaalsContact O-ND2 3.08Å
484	V	95	Very high	95	Very high	74 Å²	74	27.9 Å²	27.9	45%	0.448	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	134.8	172.9	173.5	0	0	0	0	109.9	N498 S499 L501	V484-N498 CarbonylContact C-O 3.56Å; V484-S499 WeakPolarHBondContact CG1-O 3.45Å; V484-L501 HydrophobicContact CG2-CG 4.41Å
485	G	93.5	Very high	94.9	Very high	19 Å²	19	31.2 Å²	31.2	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-3.8	-176.9	0	0	0	0	0	115.2	V483 N498 V611	V483-G485 PolarHBondContact O-N 3.06Å; G485-N498 WeakPolarHBondContact CA-O 3.3Å; G485-N498 PolarHBondContact N-O 3.01Å; G485-V611 WeakPolarHBondContact O-CG2 3.26Å
486	D	94.5	Very high	94.7	Very high	3 Å²	3	31 Å²	31	2%	0.016	15%	0.153	C	C	.	.			trans	-63.5	151.8	169.3	-83.6	-5.7	0	0	0	111	V483 F488 N498 R606 M610 V611	V483-D486 PolarHBondContact N-OD2 3.14Å; V483-D486 WeakPolarHBondContact O-CB 3.45Å; V483-D486 PolarHBondContact O-N 3.21Å; D486-F488 HydrophobicContact CB-CE2 4.02Å; D486-N498 PolarHBondContact O-N 3.11Å; D486-R606 IonicContact OD2-CZ 2.75Å; D486-R606 IonicContact OD2-NE 3.17Å; D486-R606 IonicContact OD2-NH2 3.33Å; D486-R606 PolarHBondContact OD2-NH2 3.17Å; D486-M610 VanDerWaalsContact OD1-CA 3.31Å; D486-M610 WeakPolarHBondContact OD1-CA 3.35Å; D486-M610 WeakPolarHBondContact OD1-CB 3.24Å; D486-V611 PolarHBondContact OD1-N 3.01Å
487	K	95.1	Very high	94.6	Very high	40 Å²	40	33.9 Å²	33.9	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.3	-173.7	-71.3	164.2	170.2	-174.8	0	111.4	G496 I497 L607	K487-G496 WeakPolarHBondContact CA-O 3.37Å; K487-I497 HydrophobicContact CG-CG1 4.01Å; K487-L607 HydrophobicContact CB-CB 4.04Å; K487-L607 HydrophobicContact CB-CD1 3.98Å; K487-L607 HydrophobicContact CB-CG 4.3Å; K487-L607 WeakPolarHBondContact O-CB 3.3Å; K487-L607 PolarHBondContact O-N 3.3Å
488	F	95.8	Very high	94.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.4	176.8	-70.6	-95.3	0	0	0	109.2	M363 I365 F374 A375 P482 D486 K495 G496 N498 Y604 Q605 R606	M363-F488 HydrophobicContact CE-CB 4.17Å; M363-F488 HydrophobicContact SD-CB 3.64Å; M363-F488 HydrophobicContact SD-CG 4.34Å; I365-F488 HydrophobicContact CD1-CD2 3.79Å; I365-F488 HydrophobicContact CD1-CE1 4.32Å; I365-F488 HydrophobicContact CD1-CE2 3.44Å; I365-F488 VanDerWaalsContact CD1-CE2 3.44Å; I365-F488 HydrophobicContact CD1-CG 4.39Å; I365-F488 HydrophobicContact CD1-CZ 3.73Å; F374-F488 HydrophobicContact CE1-CE1 4.43Å; A375-F488 HydrophobicContact CB-CE1 3.68Å; A375-F488 HydrophobicContact CB-CZ 4.3Å; P482-F488 HydrophobicContact CB-CZ 4.03Å; P482-F488 HydrophobicContact CG-CZ 4.31Å; D486-F488 HydrophobicContact CB-CE2 4.02Å; F488-K495 CarbonylContact O-C 3.56Å; F488-K495 WeakPolarHBondContact O-CA 3.28Å; F488-G496 PolarHBondContact N-O 3.35Å; F488-G496 PolarHBondContact O-N 3.16Å; F488-G496 VanDerWaalsContact O-O 3.06Å; F488-N498 HydrophobicContact CD2-CB 4.37Å; F488-N498 HydrophobicContact CE2-CB 4.3Å; F488-Y604 HydrophobicContact CB-CD1 4.04Å; F488-Y604 HydrophobicContact CB-CE1 4.24Å; F488-Q605 CarbonylContact C-O 3.54Å; F488-Q605 WeakPolarHBondContact CA-O 3.3Å; F488-R606 HydrophobicContact CD1-CB 3.98Å; F488-R606 HydrophobicContact CD1-CG 4.05Å; F488-R606 HydrophobicContact CE1-CB 3.72Å; F488-R606 HydrophobicContact CE1-CG 3.53Å; F488-R606 HydrophobicContact CE2-CG 4.39Å; F488-R606 HydrophobicContact CZ-CB 4.41Å; F488-R606 HydrophobicContact CZ-CG 3.72Å
489	A	95.7	Very high	94.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.1	176.4	0	0	0	0	0	110.8	M297 Q494 K495 Q605 L607	M297-A489 HydrophobicContact CB-CB 4.49Å; A489-Q494 VanDerWaalsContact CA-O 3.31Å; A489-Q494 WeakPolarHBondContact CA-O 3.39Å; A489-K495 HydrophobicContact CB-CB 4.42Å; A489-Q605 PolarHBondContact N-O 3.41Å; A489-Q605 PolarHBondContact O-N 3.15Å; A489-L607 HydrophobicContact CB-CD2 4.42Å
490	S	95.9	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	174.9	162.3	77.5	0	0	0	0	110.2	Q294 H492 Q494 M533	Q294-S490 PolarHBondContact OE1-O 3.2Å; S490-H492 PolarHBondContact O-N 3.46Å; S490-H492 VanDerWaalsContact O-N 3.14Å; S490-H492 PolarHBondContact OG-N 3.25Å; S490-Q494 PolarHBondContact N-O 3.41Å; S490-Q494 VanDerWaalsContact OG-CB 3.25Å; S490-Q494 WeakPolarHBondContact OG-CB 3.16Å; S490-M533 PolarHBondContact OG-SD 3.15Å; S490-M533 VanDerWaalsContact OG-SD 3.42Å
491	R	96.9	Very high	94.7	Very high	9 Å²	9	30.5 Å²	30.5	3%	0.034	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	14.1	175.2	-67.7	-176.3	-66.9	176.3	-7.8	115	P281 Q294 I328 E536 Y603	P281-R491 HydrophobicContact CG-CB 3.98Å; Q294-R491 VanDerWaalsContact CD-CA 3.43Å; Q294-R491 WeakPolarHBondContact CG-O 3.34Å; I328-R491 VanDerWaalsContact O-CZ 3.3Å; I328-R491 PolarHBondContact O-NH1 3.1Å; I328-R491 PolarHBondContact O-NH2 3.22Å; R491-E536 IonicContact CZ-OE1 2.56Å; R491-E536 IonicContact NE-OE1 3.69Å; R491-E536 IonicContact NH2-OE1 3.98Å; R491-E536 PolarHBondContact NH2-OE1 3.12Å; R491-Y603 HydrophobicContact CG-CD1 4.11Å
492	H	96.9	Very high	94.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	20.5	-177.3	-62.7	-88.1	0	0	0	112.9	P281 N286 R290 S490 Q494 T530 G532 M533 E536	P281-H492 PolarHBondContact O-CE1 3.33Å; N286-H492 PolarHBondContact ND2-ND1 3.19Å; N286-H492 VanDerWaalsContact ND2-ND1 3.1Å; N286-H492 PolarHBondContact OD1-ND1 3.1Å; R290-H492 WeakPolarHBondContact CB-O 3.29Å; S490-H492 PolarHBondContact O-N 3.46Å; S490-H492 VanDerWaalsContact O-N 3.14Å; S490-H492 PolarHBondContact OG-N 3.25Å; H492-Q494 PolarHBondContact O-N 3.49Å; H492-T530 HydrophobicContact CB-CG2 4.2Å; H492-T530 WeakPolarHBondContact O-CG2 3.42Å; H492-G532 PolarHBondContact CE1-O 3.24Å; H492-G532 VanDerWaalsContact CE1-O 3.27Å; H492-G532 PolarHBondContact NE2-O 2.89Å; H492-M533 HydrophobicContact CB-CB 4.09Å; H492-M533 VanDerWaalsContact CD2-CA 3.48Å; H492-M533 WeakPolarHBondContact CD2-CA 3.35Å; H492-M533 VanDerWaalsContact CD2-CB 3.5Å; H492-M533 WeakPolarHBondContact CD2-CB 3.47Å; H492-M533 PolarHBondContact CE1-N 3.25Å; H492-M533 VanDerWaalsContact CE1-N 3.31Å; H492-M533 PolarHBondContact ND1-N 3.36Å; H492-M533 WeakPolarHBondContact NE2-CA 3.47Å; H492-M533 PolarHBondContact NE2-N 3.11Å; H492-E536 IonicContact CD2-OE2 2.72Å; H492-E536 PolarHBondContact CD2-OE2 3.18Å; H492-E536 IonicContact NE2-OE2 3.87Å; H492-E536 PolarHBondContact NE2-OE2 3.2Å
493	G	94.2	Very high	95	Very high	7 Å²	7	26.7 Å²	26.7	7%	0.072	14%	0.144	C	C	.	.	S	Bend	trans	68	17.8	-174.3	0	0	0	0	0	113.2	K495	G493-K495 PolarHBondContact O-N 2.84Å
494	Q	93	Very high	95.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.14	C	C	.	.			trans	-90.8	80.8	179.1	-156.2	77.4	4.2	0	0	109.6	A489 S490 H492 F520 G524 R528 T530 M533	A489-Q494 VanDerWaalsContact CA-O 3.31Å; A489-Q494 WeakPolarHBondContact CA-O 3.39Å; S490-Q494 PolarHBondContact N-O 3.41Å; S490-Q494 VanDerWaalsContact OG-CB 3.25Å; S490-Q494 WeakPolarHBondContact OG-CB 3.16Å; H492-Q494 PolarHBondContact O-N 3.49Å; Q494-F520 HydrophobicContact CG-CE1 4.47Å; Q494-F520 HydrophobicContact CG-CE2 3.92Å; Q494-F520 HydrophobicContact CG-CZ 3.75Å; Q494-G524 PolarHBondContact NE2-O 2.72Å; Q494-R528 VanDerWaalsContact CD-CD 3.49Å; Q494-R528 VanDerWaalsContact NE2-CD 3.31Å; Q494-T530 PolarHBondContact OE1-OG1 3.42Å; Q494-T530 VanDerWaalsContact OE1-OG1 3.13Å; Q494-M533 HydrophobicContact CB-SD 4.01Å; Q494-M533 HydrophobicContact CG-SD 4.08Å
495	K	92.7	Very high	95.1	Very high	71 Å²	71	29.2 Å²	29.2	31%	0.309	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.3	175.3	176.6	-179.5	142.9	-131	0	109.6	M297 F488 A489 G493 L607	M297-K495 HydrophobicContact SD-CD 4.17Å; F488-K495 CarbonylContact O-C 3.56Å; F488-K495 WeakPolarHBondContact O-CA 3.28Å; A489-K495 HydrophobicContact CB-CB 4.42Å; G493-K495 PolarHBondContact O-N 2.84Å; K495-L607 HydrophobicContact CD-CD1 3.97Å; K495-L607 HydrophobicContact CG-CD1 4.13Å
496	G	92.3	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.4	162.8	0	0	0	0	0	114.3	D361 K487 F488	D361-G496 CarbonylContact O-C 3.56Å; D361-G496 WeakPolarHBondContact O-CA 3.46Å; K487-G496 WeakPolarHBondContact CA-O 3.37Å; F488-G496 PolarHBondContact N-O 3.35Å; F488-G496 PolarHBondContact O-N 3.16Å; F488-G496 VanDerWaalsContact O-O 3.06Å
497	I	94.9	Very high	95.3	Very high	63 Å²	63	31 Å²	31	32%	0.323	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128	-176.6	-63	170.3	0	0	0	107.3	D361 A362 M363 K487 S499	D361-I497 PolarHBondContact O-N 2.81Å; A362-I497 CarbonylContact C-O 3.55Å; A362-I497 WeakPolarHBondContact CA-O 3.35Å; M363-I497 PolarHBondContact N-O 3.24Å; K487-I497 HydrophobicContact CG-CG1 4.01Å; I497-S499 PolarHBondContact O-N 3.04Å
498	N	95.2	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	103.9	172.2	178.2	30	0	0	0	109.2	M363 I365 V483 V484 G485 D486 F488 F500	M363-N498 CarbonylContact O-C 3.59Å; M363-N498 WeakPolarHBondContact O-CA 3.17Å; I365-N498 HydrophobicContact CD1-CB 3.89Å; I365-N498 HydrophobicContact CG1-CB 4.39Å; V483-N498 PolarHBondContact O-ND2 3.45Å; V483-N498 VanDerWaalsContact O-ND2 3.08Å; V484-N498 CarbonylContact C-O 3.56Å; G485-N498 WeakPolarHBondContact CA-O 3.3Å; G485-N498 PolarHBondContact N-O 3.01Å; D486-N498 PolarHBondContact O-N 3.11Å; F488-N498 HydrophobicContact CD2-CB 4.37Å; F488-N498 HydrophobicContact CE2-CB 4.3Å; N498-F500 PolarHBondContact OD1-O 2.85Å; N498-F500 VanDerWaalsContact OD1-O 3.12Å
499	S	95.4	Very high	95.5	Very high	27 Å²	27	32.5 Å²	32.5	19%	0.189	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-33	-177.2	53.6	0	0	0	0	112.6	Y357 M363 V484 I497	Y357-S499 WeakPolarHBondContact O-CB 3.47Å; Y357-S499 PolarHBondContact O-OG 2.77Å; M363-S499 PolarHBondContact O-N 3.43Å; M363-S499 PolarHBondContact O-OG 3.1Å; V484-S499 WeakPolarHBondContact CG1-O 3.45Å; I497-S499 PolarHBondContact O-N 3.04Å
500	F	94.7	Very high	95.5	Very high	76 Å²	76	32.5 Å²	32.5	33%	0.333	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141.3	-176.3	-156	-92.9	0	0	0	111.4	Y357 I365 N498 W502	Y357-F500 HydrophobicContact CG-CB 4.5Å; I365-F500 PolarHBondContact N-O 2.82Å; N498-F500 PolarHBondContact OD1-O 2.85Å; N498-F500 VanDerWaalsContact OD1-O 3.12Å; F500-W502 HydrophobicContact CB-CE3 4.5Å; F500-W502 HydrophobicContact CD1-CB 4.3Å; F500-W502 HydrophobicContact CD1-CD2 4.28Å; F500-W502 AromaticContact CD1-CE3 3.42Å; F500-W502 HydrophobicContact CD1-CE3 3.42Å; F500-W502 VanDerWaalsContact CD1-CE3 3.42Å; F500-W502 HydrophobicContact CD1-CZ3 4.08Å; F500-W502 AromaticContact CE1-CE3 3.84Å; F500-W502 HydrophobicContact CE1-CE3 3.84Å; F500-W502 HydrophobicContact CE1-CZ3 4.29Å; F500-W502 HydrophobicContact CG-CE3 4.14Å; F500-W502 PolarHBondContact O-N 2.89Å
501	L	96.2	Very high	95.4	Very high	46 Å²	46	39.3 Å²	39.3	24%	0.241	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	95.9	167.9	-69.4	175.9	0	0	0	108.2	I365 K367 A370 V484	I365-L501 HydrophobicContact CB-CD2 4.03Å; I365-L501 HydrophobicContact CG2-CD2 4.06Å; I365-L501 CarbonylContact O-C 3.25Å; I365-L501 WeakPolarHBondContact O-CA 3.25Å; K367-L501 HydrophobicContact CB-CB 4.14Å; K367-L501 HydrophobicContact CG-CB 4.31Å; A370-L501 HydrophobicContact CB-CD2 4.15Å; V484-L501 HydrophobicContact CG2-CG 4.41Å
502	W	96.4	Very high	95.2	Very high	31 Å²	31	42 Å²	42	12%	0.117	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.6	-171.4	-157.6	-96.1	0	0	0	111.2	T355 Y357 V364 I365 K367 F500 N506 M507 I588	T355-W502 HydrophobicContact CG2-CD2 3.89Å; T355-W502 HydrophobicContact CG2-CE3 3.96Å; T355-W502 HydrophobicContact CG2-CG 4.47Å; T355-W502 HydrophobicContact CG2-CH2 4.29Å; T355-W502 HydrophobicContact CG2-CZ2 4.18Å; T355-W502 HydrophobicContact CG2-CZ3 4.18Å; Y357-W502 AromaticContact CD2-CZ3 3.86Å; Y357-W502 HydrophobicContact CD2-CZ3 3.86Å; Y357-W502 HydrophobicContact CE2-CZ3 4.23Å; V364-W502 HydrophobicContact CG1-CB 3.42Å; V364-W502 VanDerWaalsContact CG1-CB 3.42Å; V364-W502 HydrophobicContact CG1-CG 4.17Å; I365-W502 PolarHBondContact O-N 2.81Å; K367-W502 WeakPolarHBondContact CB-O 3.42Å; K367-W502 PolarHBondContact N-O 3.36Å; F500-W502 HydrophobicContact CB-CE3 4.5Å; F500-W502 HydrophobicContact CD1-CB 4.3Å; F500-W502 HydrophobicContact CD1-CD2 4.28Å; F500-W502 AromaticContact CD1-CE3 3.42Å; F500-W502 HydrophobicContact CD1-CE3 3.42Å; F500-W502 VanDerWaalsContact CD1-CE3 3.42Å; F500-W502 HydrophobicContact CD1-CZ3 4.08Å; F500-W502 AromaticContact CE1-CE3 3.84Å; F500-W502 HydrophobicContact CE1-CE3 3.84Å; F500-W502 HydrophobicContact CE1-CZ3 4.29Å; F500-W502 HydrophobicContact CG-CE3 4.14Å; F500-W502 PolarHBondContact O-N 2.89Å; W502-N506 HydrophobicContact CZ2-CB 4.45Å; W502-N506 VanDerWaalsContact NE1-C 3.27Å; W502-N506 PolarHBondContact NE1-O 2.92Å; W502-M507 HydrophobicContact CB-CG 4.45Å; W502-M507 HydrophobicContact CB-SD 3.75Å; W502-M507 HydrophobicContact CG-CG 4.48Å; W502-M507 HydrophobicContact CG-SD 3.87Å; W502-I588 HydrophobicContact CZ2-CD1 4.44Å
503	P	96.9	Very high	95	Very high	28 Å²	28	44.4 Å²	44.4	18%	0.182	24%	0.238	C	C	.	.			trans	-58.6	143.9	177.6	-21.5	32.3	0	0	0	111.8	E505 N506 M507	P503-E505 VanDerWaalsContact C-N 3.3Å; P503-E505 VanDerWaalsContact CB-CD 3.43Å; P503-E505 HydrophobicContact CB-CG 4.08Å; P503-E505 WeakPolarHBondContact CB-OE1 3.33Å; P503-E505 PolarHBondContact O-N 3.23Å; P503-N506 PolarHBondContact O-N 3.28Å; P503-N506 VanDerWaalsContact O-N 3.13Å; P503-M507 WeakPolarHBondContact O-CG 3.43Å; P503-M507 PolarHBondContact O-N 3.49Å
504	L	96	Very high	95.1	Very high	55 Å²	55	47.8 Å²	47.8	29%	0.288	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.4	-42.6	-176	-178.6	77.7	0	0	0	111.7	N366 S368 N506 M507 V515	N366-L504 VanDerWaalsContact ND2-CD1 3.33Å; N366-L504 WeakPolarHBondContact ND2-CD1 3.42Å; S368-L504 WeakPolarHBondContact OG-CB 3.44Å; L504-N506 PolarHBondContact O-N 3.04Å; L504-M507 WeakPolarHBondContact O-CB 3.44Å; L504-M507 PolarHBondContact O-N 3Å; L504-M507 VanDerWaalsContact O-N 3.08Å; L504-V515 HydrophobicContact CD1-CB 3.98Å; L504-V515 HydrophobicContact CD1-CG1 3.81Å; L504-V515 HydrophobicContact CD1-CG2 4.05Å
505	E	95	Very high	95.3	Very high	136 Å²	136	49.2 Å²	49.2	64%	0.636	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.5	-30.4	179.2	56.2	-89.3	-153	0	0	112.9	P503 G587	P503-E505 VanDerWaalsContact C-N 3.3Å; P503-E505 VanDerWaalsContact CB-CD 3.43Å; P503-E505 HydrophobicContact CB-CG 4.08Å; P503-E505 WeakPolarHBondContact CB-OE1 3.33Å; P503-E505 PolarHBondContact O-N 3.23Å; E505-G587 CarbonylContact O-C 3.58Å; E505-G587 WeakPolarHBondContact O-CA 3.42Å; E505-G587 VanDerWaalsContact O-O 3.05Å
506	N	95.9	Very high	95.5	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-96.9	-4.3	-179.3	-63.1	-22.3	0	0	0	112.4	W502 P503 L504 I588	W502-N506 HydrophobicContact CZ2-CB 4.45Å; W502-N506 VanDerWaalsContact NE1-C 3.27Å; W502-N506 PolarHBondContact NE1-O 2.92Å; P503-N506 PolarHBondContact O-N 3.28Å; P503-N506 VanDerWaalsContact O-N 3.13Å; L504-N506 PolarHBondContact O-N 3.04Å; N506-I588 HydrophobicContact CB-CG1 4.47Å
507	M	96.5	Very high	95.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.254	C	S	.	.	S	Bend	trans	-74	148.1	177.4	-75.8	-67.4	-99.3	0	0	110.3	N366 W502 P503 L504 V515 P516 I519 G587	N366-M507 HydrophobicContact CB-CE 3.85Å; W502-M507 HydrophobicContact CB-CG 4.45Å; W502-M507 HydrophobicContact CB-SD 3.75Å; W502-M507 HydrophobicContact CG-CG 4.48Å; W502-M507 HydrophobicContact CG-SD 3.87Å; P503-M507 WeakPolarHBondContact O-CG 3.43Å; P503-M507 PolarHBondContact O-N 3.49Å; L504-M507 WeakPolarHBondContact O-CB 3.44Å; L504-M507 PolarHBondContact O-N 3Å; L504-M507 VanDerWaalsContact O-N 3.08Å; M507-V515 HydrophobicContact CB-CG1 3.29Å; M507-V515 HydrophobicContact CG-CG1 3.95Å; M507-P516 HydrophobicContact CE-CB 4.4Å; M507-P516 HydrophobicContact CE-CG 3.92Å; M507-P516 VanDerWaalsContact CE-O 3.25Å; M507-P516 WeakPolarHBondContact CE-O 3.41Å; M507-I519 HydrophobicContact CE-CD1 3.84Å; M507-I519 HydrophobicContact CE-CG1 3.99Å; M507-I519 HydrophobicContact SD-CD1 3.6Å; M507-I519 VanDerWaalsContact SD-CD1 3.6Å; M507-I519 HydrophobicContact SD-CG1 4.4Å; M507-G587 WeakPolarHBondContact O-CA 3.48Å
508	P	97.3	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.			trans	-65.1	140.5	170.8	30.7	-34.5	0	0	0	109.5	P516 I519 M584 Y585 F593	P508-P516 HydrophobicContact CG-CG 4.14Å; P508-P516 WeakPolarHBondContact O-CD 3.11Å; P508-I519 HydrophobicContact CG-CD1 4Å; P508-M584 HydrophobicContact CB-CE 3.81Å; P508-M584 HydrophobicContact CG-CE 4.1Å; P508-M584 WeakPolarHBondContact O-CE 3.45Å; P508-Y585 CarbonylContact C-O 3.55Å; P508-Y585 WeakPolarHBondContact CA-O 3Å; P508-F593 HydrophobicContact CB-CE2 3.67Å; P508-F593 HydrophobicContact CB-CZ 4.09Å
509	F	97.1	Very high	95.9	Very high	73 Å²	73	44 Å²	44	32%	0.32	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.6	180	61.2	-86.9	0	0	0	110.9	L514 V515 M584 Y585	F509-L514 WeakPolarHBondContact CA-O 3.14Å; F509-V515 HydrophobicContact CB-CG2 4.07Å; F509-M584 CarbonylContact O-C 3.58Å; F509-M584 VanDerWaalsContact O-CA 3.29Å; F509-M584 WeakPolarHBondContact O-CA 3.07Å; F509-Y585 HydrophobicContact CD2-CD2 4.05Å; F509-Y585 HydrophobicContact CD2-CG 4.4Å; F509-Y585 AromaticContact CE2-CD2 3.74Å; F509-Y585 HydrophobicContact CE2-CD2 3.74Å; F509-Y585 AromaticContact CE2-CG 3.79Å; F509-Y585 HydrophobicContact CE2-CG 3.79Å; F509-Y585 HydrophobicContact CZ-CD2 4.41Å; F509-Y585 AromaticContact CZ-CG 3.99Å; F509-Y585 HydrophobicContact CZ-CG 3.99Å; F509-Y585 PolarHBondContact N-O 2.62Å; F509-Y585 PolarHBondContact O-N 3.47Å
510	A	96.4	Very high	95.9	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	166.5	176.9	0	0	0	0	0	111.5	S512 G513 L514 E582 M584 F599	A510-S512 PolarHBondContact O-N 3.26Å; A510-G513 WeakPolarHBondContact O-CA 3.28Å; A510-G513 PolarHBondContact O-N 2.74Å; A510-L514 PolarHBondContact N-O 3.06Å; A510-E582 WeakPolarHBondContact CB-OE2 3.32Å; A510-M584 HydrophobicContact CB-CG 4.4Å; A510-F599 HydrophobicContact CB-CE1 4.48Å
511	E	92.9	Very high	95.9	Very high	143 Å²	143	39.6 Å²	39.6	67%	0.668	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.1	174	-166.7	163.2	-167.3	0	0	113.1	G513 R583 Y585	E511-G513 PolarHBondContact O-N 3.49Å; E511-R583 PolarHBondContact N-O 3.44Å; E511-Y585 HydrophobicContact CB-CE2 4.19Å
512	S	92.4	Very high	95.9	Very high	64 Å²	64	39.7 Å²	39.7	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.5	171.2	58	0	0	0	0	114.5	A510 L514	A510-S512 PolarHBondContact O-N 3.26Å; S512-L514 VanDerWaalsContact C-N 3.25Å; S512-L514 PolarHBondContact O-N 2.84Å
513	G	94.3	Very high	95.7	Very high	52 Å²	52	44.8 Å²	44.8	54%	0.536	24%	0.244	S	C	.	.	S	Bend	trans	79.4	2	-171.3	0	0	0	0	0	114.3	A510 E511	A510-G513 WeakPolarHBondContact O-CA 3.28Å; A510-G513 PolarHBondContact O-N 2.74Å; E511-G513 PolarHBondContact O-N 3.49Å
514	L	95.8	Very high	95.5	Very high	77 Å²	77	43.6 Å²	43.6	40%	0.403	24%	0.237	S	C	.	.			trans	-70.6	142.4	175.2	-70.9	174.5	0	0	0	111.4	F509 A510 S512 F599	F509-L514 WeakPolarHBondContact CA-O 3.14Å; A510-L514 PolarHBondContact N-O 3.06Å; S512-L514 VanDerWaalsContact C-N 3.25Å; S512-L514 PolarHBondContact O-N 2.84Å; L514-F599 HydrophobicContact CB-CE1 4.16Å; L514-F599 HydrophobicContact CB-CZ 4.13Å; L514-F599 HydrophobicContact CD1-CE1 4.43Å
515	V	97.2	Very high	95.3	Very high	32 Å²	32	41.7 Å²	41.7	19%	0.194	23%	0.226	C	C	.	.			trans	-119.8	135.4	178.6	-173.2	0	0	0	0	108.2	L504 M507 F509	L504-V515 HydrophobicContact CD1-CB 3.98Å; L504-V515 HydrophobicContact CD1-CG1 3.81Å; L504-V515 HydrophobicContact CD1-CG2 4.05Å; M507-V515 HydrophobicContact CB-CG1 3.29Å; M507-V515 HydrophobicContact CG-CG1 3.95Å; F509-V515 HydrophobicContact CB-CG2 4.07Å
516	P	97.6	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.			trans	-62.6	148.3	178.1	18.9	-24.1	0	0	0	111.7	A350 N366 M507 P508 I519 M584 F599	A350-P516 HydrophobicContact CB-CB 3.78Å; A350-P516 HydrophobicContact CB-CG 3.78Å; N366-P516 WeakPolarHBondContact CB-O 3Å; N366-P516 PolarHBondContact ND2-O 3.09Å; N366-P516 VanDerWaalsContact ND2-O 3.14Å; M507-P516 HydrophobicContact CE-CB 4.4Å; M507-P516 HydrophobicContact CE-CG 3.92Å; M507-P516 VanDerWaalsContact CE-O 3.25Å; M507-P516 WeakPolarHBondContact CE-O 3.41Å; P508-P516 HydrophobicContact CG-CG 4.14Å; P508-P516 WeakPolarHBondContact O-CD 3.11Å; P516-I519 HydrophobicContact CG-CG1 4.17Å; P516-M584 HydrophobicContact CG-CE 4.45Å; P516-F599 HydrophobicContact CB-CE2 3.88Å; P516-F599 HydrophobicContact CG-CE2 4.27Å
517	D	97.5	Very high	95.1	Very high	25 Å²	25	41.2 Å²	41.2	13%	0.134	24%	0.24	C	C	.	.	S	Bend	trans	-80.3	-35.2	165.9	-64.1	-52.1	0	0	0	110.8	A347 I348 I365 N366 S369 F374	A347-D517 HydrophobicContact CB-CB 4.33Å; I348-D517 PolarHBondContact N-OD2 3.32Å; I348-D517 PolarHBondContact O-N 3.14Å; I365-D517 WeakPolarHBondContact CA-O 3.4Å; N366-D517 PolarHBondContact N-O 3.35Å; S369-D517 VanDerWaalsContact CB-OD1 3.25Å; S369-D517 WeakPolarHBondContact CB-OD1 3.4Å; S369-D517 PolarHBondContact OG-OD1 3.34Å; F374-D517 HydrophobicContact CE2-CB 4.23Å
518	I	97.1	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.5	-178.7	-60.2	179.5	0	0	0	109.5	A347 I348 V349 A350 M363 V364 I365 F374 Y604	A347-I518 HydrophobicContact CB-CD1 3.93Å; A347-I518 HydrophobicContact CB-CG1 4.33Å; I348-I518 PolarHBondContact O-N 3.03Å; I348-I518 VanDerWaalsContact O-N 3.09Å; V349-I518 WeakPolarHBondContact CA-O 3.35Å; V349-I518 HydrophobicContact CG2-CB 4.32Å; A350-I518 PolarHBondContact N-O 2.79Å; M363-I518 HydrophobicContact CB-CG2 4.24Å; M363-I518 HydrophobicContact SD-CG2 4.18Å; V364-I518 WeakPolarHBondContact O-CA 3.48Å; I365-I518 HydrophobicContact CG1-CG1 4.45Å; F374-I518 HydrophobicContact CE1-CD1 4.42Å; F374-I518 HydrophobicContact CZ-CD1 4Å; F374-I518 HydrophobicContact CZ-CG1 4.26Å; I518-Y604 HydrophobicContact CD1-CD1 3.59Å; I518-Y604 HydrophobicContact CD1-CD2 3.88Å; I518-Y604 HydrophobicContact CD1-CE1 3.78Å; I518-Y604 HydrophobicContact CD1-CE2 4.07Å; I518-Y604 HydrophobicContact CD1-CG 3.62Å
519	I	96.5	Very high	94.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.8	162.1	-67.9	167	0	0	0	108.1	A350 I352 T355 V364 M507 P508 P516	A350-I519 HydrophobicContact CB-CG1 4.48Å; A350-I519 WeakPolarHBondContact O-CA 3.42Å; I352-I519 HydrophobicContact CG2-CG1 4.41Å; I352-I519 HydrophobicContact CG2-CG2 3.83Å; I352-I519 WeakPolarHBondContact O-CG2 3.37Å; T355-I519 HydrophobicContact CG2-CD1 4.09Å; V364-I519 HydrophobicContact CB-CB 4.21Å; V364-I519 PolarHBondContact N-O 3.41Å; V364-I519 PolarHBondContact O-N 2.79Å; M507-I519 HydrophobicContact CE-CD1 3.84Å; M507-I519 HydrophobicContact CE-CG1 3.99Å; M507-I519 HydrophobicContact SD-CD1 3.6Å; M507-I519 VanDerWaalsContact SD-CD1 3.6Å; M507-I519 HydrophobicContact SD-CG1 4.4Å; P508-I519 HydrophobicContact CG-CD1 4Å; P516-I519 HydrophobicContact CG-CG1 4.17Å
520	F	94.9	Very high	94.7	Very high	4 Å²	4	45 Å²	45	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134	176.5	-172.1	-94.5	0	0	0	110.2	V349 A350 V351 I352 Q494 F525	V349-F520 HydrophobicContact CG1-CB 4Å; A350-F520 PolarHBondContact O-N 3.14Å; V351-F520 CarbonylContact C-O 3.4Å; V351-F520 VanDerWaalsContact CA-O 3.27Å; V351-F520 WeakPolarHBondContact CA-O 3.24Å; I352-F520 PolarHBondContact N-O 2.78Å; I352-F520 VanDerWaalsContact N-O 3.11Å; Q494-F520 HydrophobicContact CG-CE1 4.47Å; Q494-F520 HydrophobicContact CG-CE2 3.92Å; Q494-F520 HydrophobicContact CG-CZ 3.75Å; F520-F525 HydrophobicContact CD1-CD2 4.32Å; F520-F525 AromaticContact CD1-CE2 3.53Å; F520-F525 HydrophobicContact CD1-CE2 3.53Å; F520-F525 AromaticContact CD1-CZ 3.89Å; F520-F525 HydrophobicContact CD1-CZ 3.89Å; F520-F525 AromaticContact CE1-CD2 4Å; F520-F525 HydrophobicContact CE1-CD2 4Å; F520-F525 AromaticContact CE1-CE2 3.6Å; F520-F525 HydrophobicContact CE1-CE2 3.6Å; F520-F525 AromaticContact CE1-CZ 3.96Å; F520-F525 HydrophobicContact CE1-CZ 3.96Å
521	N	94.9	Very high	94.7	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.032	28%	0.279	C	S	.	.			trans	-79.3	130.6	-174.8	-171.8	-44.9	0	0	0	112	S353 D358 H523 G524	S353-N521 PolarHBondContact OG-OD1 3.09Å; D358-N521 HydrophobicContact CB-CB 4.24Å; D358-N521 WeakPolarHBondContact O-CB 3.25Å; D358-N521 PolarHBondContact O-ND2 2.89Å; N521-H523 PolarHBondContact O-N 3.25Å; N521-H523 WeakPolarHBondContact OD1-CB 3.09Å; N521-H523 PolarHBondContact OD1-CD2 2.84Å; N521-H523 PolarHBondContact OD1-N 3Å; N521-G524 PolarHBondContact O-N 2.58Å
522	P	94.6	Very high	94.9	Very high	47 Å²	47	41.6 Å²	41.6	31%	0.305	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-58.2	-29.1	178.5	22.6	-34.6	0	0	0	114.1	V351 S353 G524 F525 P526	V351-P522 HydrophobicContact CG1-CB 3.92Å; S353-P522 VanDerWaalsContact OG-CD 3.28Å; S353-P522 WeakPolarHBondContact OG-CD 3.31Å; S353-P522 VanDerWaalsContact OG-CG 3.29Å; S353-P522 WeakPolarHBondContact OG-CG 3.29Å; P522-G524 PolarHBondContact O-N 3.07Å; P522-G524 VanDerWaalsContact O-N 3.07Å; P522-F525 PolarHBondContact O-N 2.71Å; P522-F525 VanDerWaalsContact O-N 3.15Å; P522-P526 VanDerWaalsContact O-CD 3.31Å; P522-P526 WeakPolarHBondContact O-CD 3.28Å
523	H	93.8	Very high	95.1	Very high	139 Å²	139	38.7 Å²	38.7	64%	0.644	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63.6	-14.1	176.6	-61.4	-59.6	0	0	0	113.1	N521 F525	N521-H523 PolarHBondContact O-N 3.25Å; N521-H523 WeakPolarHBondContact OD1-CB 3.09Å; N521-H523 PolarHBondContact OD1-CD2 2.84Å; N521-H523 PolarHBondContact OD1-N 3Å; H523-F525 VanDerWaalsContact C-N 3.3Å; H523-F525 PolarHBondContact O-N 2.96Å
524	G	91	Very high	95.2	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-73.8	-12.7	175.3	0	0	0	0	0	115.2	Q494 N521 P522 R528	Q494-G524 PolarHBondContact NE2-O 2.72Å; N521-G524 PolarHBondContact O-N 2.58Å; P522-G524 PolarHBondContact O-N 3.07Å; P522-G524 VanDerWaalsContact O-N 3.07Å; G524-R528 WeakPolarHBondContact O-CD 3.21Å; G524-R528 PolarHBondContact O-NH1 2.97Å
525	F	93.3	Very high	95.2	Very high	16 Å²	16	36 Å²	36	7%	0.07	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-48.1	-177.2	-69.9	-80	0	0	0	115.2	V351 F520 P522 H523 S527 R528 M529 M533 M534	V351-F525 HydrophobicContact CB-CE2 4.47Å; V351-F525 HydrophobicContact CG1-CD2 4.25Å; V351-F525 HydrophobicContact CG1-CE2 3.64Å; V351-F525 HydrophobicContact CG2-CE2 3.92Å; V351-F525 HydrophobicContact CG2-CZ 4.19Å; F520-F525 HydrophobicContact CD1-CD2 4.32Å; F520-F525 AromaticContact CD1-CE2 3.53Å; F520-F525 HydrophobicContact CD1-CE2 3.53Å; F520-F525 AromaticContact CD1-CZ 3.89Å; F520-F525 HydrophobicContact CD1-CZ 3.89Å; F520-F525 AromaticContact CE1-CD2 4Å; F520-F525 HydrophobicContact CE1-CD2 4Å; F520-F525 AromaticContact CE1-CE2 3.6Å; F520-F525 HydrophobicContact CE1-CE2 3.6Å; F520-F525 AromaticContact CE1-CZ 3.96Å; F520-F525 HydrophobicContact CE1-CZ 3.96Å; P522-F525 PolarHBondContact O-N 2.71Å; P522-F525 VanDerWaalsContact O-N 3.15Å; H523-F525 VanDerWaalsContact C-N 3.3Å; H523-F525 PolarHBondContact O-N 2.96Å; F525-S527 PolarHBondContact O-N 3.08Å; F525-R528 PolarHBondContact O-N 3.07Å; F525-M529 PolarHBondContact O-N 2.88Å; F525-M533 HydrophobicContact CE1-CB 4.22Å; F525-M533 HydrophobicContact CE1-CG 4.31Å; F525-M533 HydrophobicContact CE1-SD 4.13Å; F525-M533 HydrophobicContact CZ-CE 4.44Å; F525-M533 HydrophobicContact CZ-SD 4.25Å; F525-M534 HydrophobicContact CB-CE 4.15Å; F525-M534 HydrophobicContact CD1-CE 3.87Å; F525-M534 HydrophobicContact CD1-CG 4.32Å; F525-M534 HydrophobicContact CD2-CE 3.83Å; F525-M534 HydrophobicContact CE1-CE 4.18Å; F525-M534 HydrophobicContact CE1-CG 3.96Å; F525-M534 HydrophobicContact CE2-CE 4.14Å; F525-M534 HydrophobicContact CG-CE 3.69Å; F525-M534 HydrophobicContact CZ-CE 4.31Å; F525-M534 HydrophobicContact CZ-CG 4.34Å
526	P	94.5	Very high	95.3	Very high	99 Å²	99	34.6 Å²	34.6	64%	0.643	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-43.4	-169.4	-28	35.6	0	0	0	114.2	P522 R528 M529	P522-P526 VanDerWaalsContact O-CD 3.31Å; P522-P526 WeakPolarHBondContact O-CD 3.28Å; P526-R528 VanDerWaalsContact C-N 3.29Å; P526-R528 PolarHBondContact O-N 3.38Å; P526-M529 WeakPolarHBondContact O-CG 3.39Å
527	S	90.6	Very high	95.2	Very high	85 Å²	85	34.8 Å²	34.8	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-19	179.4	60.1	0	0	0	0	113.7	F525	F525-S527 PolarHBondContact O-N 3.08Å
528	R	92.7	Very high	95.2	Very high	38 Å²	38	34.1 Å²	34.1	14%	0.143	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-23.4	-174	-66.6	-170.4	178.1	91.9	0.2	114	R290 D361 Q494 G524 F525 P526 T530	R290-R528 PolarHBondContact NE-O 2.93Å; D361-R528 IonicContact OD1-CZ 2.76Å; D361-R528 IonicContact OD1-NH2 2.9Å; D361-R528 PolarHBondContact OD1-NH2 3.23Å; D361-R528 IonicContact OD2-NH2 2.67Å; Q494-R528 VanDerWaalsContact CD-CD 3.49Å; Q494-R528 VanDerWaalsContact NE2-CD 3.31Å; G524-R528 WeakPolarHBondContact O-CD 3.21Å; G524-R528 PolarHBondContact O-NH1 2.97Å; F525-R528 PolarHBondContact O-N 3.07Å; P526-R528 VanDerWaalsContact C-N 3.29Å; P526-R528 PolarHBondContact O-N 3.38Å; R528-T530 HydrophobicContact CB-CG2 4.21Å; R528-T530 PolarHBondContact O-N 3.25Å
529	M	96.1	Very high	95.2	Very high	114 Å²	114	34.1 Å²	34.1	56%	0.562	19%	0.188	S	C	*	.			trans	51.5	44	177.5	-54.1	173.6	71.1	0	0	111.7	Q287 F525 P526 V531	Q287-M529 HydrophobicContact CB-CB 4.41Å; Q287-M529 PolarHBondContact N-O 3.37Å; F525-M529 PolarHBondContact O-N 2.88Å; P526-M529 WeakPolarHBondContact O-CG 3.39Å; M529-V531 VanDerWaalsContact C-N 3.3Å; M529-V531 PolarHBondContact O-N 2.89Å
530	T	95.6	Very high	95.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-91.1	58.5	179.4	41.5	0	0	0	0	111	R290 H492 Q494 R528 G532 M533	R290-T530 HydrophobicContact CB-CG2 3.97Å; R290-T530 HydrophobicContact CG-CG2 3.63Å; H492-T530 HydrophobicContact CB-CG2 4.2Å; H492-T530 WeakPolarHBondContact O-CG2 3.42Å; Q494-T530 PolarHBondContact OE1-OG1 3.42Å; Q494-T530 VanDerWaalsContact OE1-OG1 3.13Å; R528-T530 HydrophobicContact CB-CG2 4.21Å; R528-T530 PolarHBondContact O-N 3.25Å; T530-G532 PolarHBondContact O-N 3.13Å; T530-M533 WeakPolarHBondContact O-CB 3.38Å; T530-M533 PolarHBondContact O-N 2.87Å; T530-M533 VanDerWaalsContact O-N 3.08Å
531	V	96.1	Very high	95.4	Very high	72 Å²	72	34.4 Å²	34.4	44%	0.436	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-30.5	-177.1	-176.1	0	0	0	0	111.4	H285 M529 M533 M534 I535	H285-V531 WeakPolarHBondContact O-CB 3.46Å; H285-V531 PolarHBondContact O-N 3.43Å; M529-V531 VanDerWaalsContact C-N 3.3Å; M529-V531 PolarHBondContact O-N 2.89Å; V531-M533 PolarHBondContact O-N 3.2Å; V531-M533 VanDerWaalsContact O-N 3.12Å; V531-M534 WeakPolarHBondContact O-CB 3.32Å; V531-M534 PolarHBondContact O-N 3.07Å; V531-I535 HydrophobicContact CG1-CD1 4.3Å; V531-I535 HydrophobicContact CG1-CG1 4.48Å; V531-I535 PolarHBondContact O-N 3.25Å; V531-I535 VanDerWaalsContact O-N 3.12Å
532	G	96.5	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.8	-32.6	174.1	0	0	0	0	0	113.6	H285 N286 H492 T530 I535 E536	H285-G532 PolarHBondContact O-N 3.38Å; N286-G532 WeakPolarHBondContact OD1-CA 3.33Å; N286-G532 PolarHBondContact OD1-N 2.85Å; H492-G532 PolarHBondContact CE1-O 3.24Å; H492-G532 VanDerWaalsContact CE1-O 3.27Å; H492-G532 PolarHBondContact NE2-O 2.89Å; T530-G532 PolarHBondContact O-N 3.13Å; G532-I535 PolarHBondContact O-N 3.49Å; G532-E536 WeakPolarHBondContact O-CB 3.19Å; G532-E536 PolarHBondContact O-N 2.92Å
533	M	96.8	Very high	95.6	Very high	4 Å²	4	32 Å²	32	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-70.8	-33.6	178.1	-177.5	173.7	167.6	0	0	112.1	S490 H492 Q494 F525 T530 V531 S537 V602 Y604	S490-M533 PolarHBondContact OG-SD 3.15Å; S490-M533 VanDerWaalsContact OG-SD 3.42Å; H492-M533 HydrophobicContact CB-CB 4.09Å; H492-M533 VanDerWaalsContact CD2-CA 3.48Å; H492-M533 WeakPolarHBondContact CD2-CA 3.35Å; H492-M533 VanDerWaalsContact CD2-CB 3.5Å; H492-M533 WeakPolarHBondContact CD2-CB 3.47Å; H492-M533 PolarHBondContact CE1-N 3.25Å; H492-M533 VanDerWaalsContact CE1-N 3.31Å; H492-M533 PolarHBondContact ND1-N 3.36Å; H492-M533 WeakPolarHBondContact NE2-CA 3.47Å; H492-M533 PolarHBondContact NE2-N 3.11Å; Q494-M533 HydrophobicContact CB-SD 4.01Å; Q494-M533 HydrophobicContact CG-SD 4.08Å; F525-M533 HydrophobicContact CE1-CB 4.22Å; F525-M533 HydrophobicContact CE1-CG 4.31Å; F525-M533 HydrophobicContact CE1-SD 4.13Å; F525-M533 HydrophobicContact CZ-CE 4.44Å; F525-M533 HydrophobicContact CZ-SD 4.25Å; T530-M533 WeakPolarHBondContact O-CB 3.38Å; T530-M533 PolarHBondContact O-N 2.87Å; T530-M533 VanDerWaalsContact O-N 3.08Å; V531-M533 PolarHBondContact O-N 3.2Å; V531-M533 VanDerWaalsContact O-N 3.12Å; M533-S537 WeakPolarHBondContact O-CB 3.26Å; M533-S537 PolarHBondContact O-N 3.01Å; M533-V602 HydrophobicContact CE-CG1 4.35Å; M533-V602 HydrophobicContact CG-CG1 4.32Å; M533-Y604 HydrophobicContact CE-CE2 4.15Å
534	M	96	Very high	95.7	Very high	67 Å²	67	28.2 Å²	28.2	33%	0.33	16%	0.163	S	C	.	.	H	α-helix	trans	-68	-43.2	174.1	-66.5	177.6	156.5	0	0	110.4	F525 V531 S537 M538 F598	F525-M534 HydrophobicContact CB-CE 4.15Å; F525-M534 HydrophobicContact CD1-CE 3.87Å; F525-M534 HydrophobicContact CD1-CG 4.32Å; F525-M534 HydrophobicContact CD2-CE 3.83Å; F525-M534 HydrophobicContact CE1-CE 4.18Å; F525-M534 HydrophobicContact CE1-CG 3.96Å; F525-M534 HydrophobicContact CE2-CE 4.14Å; F525-M534 HydrophobicContact CG-CE 3.69Å; F525-M534 HydrophobicContact CZ-CE 4.31Å; F525-M534 HydrophobicContact CZ-CG 4.34Å; V531-M534 WeakPolarHBondContact O-CB 3.32Å; V531-M534 PolarHBondContact O-N 3.07Å; M534-S537 WeakPolarHBondContact O-CB 3.31Å; M534-S537 PolarHBondContact O-N 2.84Å; M534-M538 PolarHBondContact O-N 3.26Å; M534-M538 VanDerWaalsContact O-N 3.14Å; M534-F598 HydrophobicContact CB-CE1 4.37Å; M534-F598 HydrophobicContact CB-CZ 4.22Å; M534-F598 HydrophobicContact CG-CE1 4.44Å; M534-F598 WeakPolarHBondContact O-CZ 3.37Å
535	I	96.9	Very high	95.9	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.3	-58.5	170.9	0	0	0	110.3	F282 H285 V531 G532 S537 M538 A539 A563 V564 F567	F282-I535 HydrophobicContact CD1-CG2 4.21Å; F282-I535 HydrophobicContact CD2-CB 4.16Å; F282-I535 HydrophobicContact CD2-CG2 3.88Å; F282-I535 HydrophobicContact CE1-CG2 4.04Å; F282-I535 HydrophobicContact CE2-CB 4.36Å; F282-I535 HydrophobicContact CE2-CG2 3.71Å; F282-I535 HydrophobicContact CG-CG2 4.14Å; F282-I535 HydrophobicContact CZ-CG2 3.8Å; H285-I535 HydrophobicContact CB-CD1 4.08Å; H285-I535 WeakPolarHBondContact CD2-CD1 3.36Å; V531-I535 HydrophobicContact CG1-CD1 4.3Å; V531-I535 HydrophobicContact CG1-CG1 4.48Å; V531-I535 PolarHBondContact O-N 3.25Å; V531-I535 VanDerWaalsContact O-N 3.12Å; G532-I535 PolarHBondContact O-N 3.49Å; I535-S537 VanDerWaalsContact C-N 3.3Å; I535-S537 PolarHBondContact O-N 2.81Å; I535-M538 PolarHBondContact O-N 3.44Å; I535-A539 VanDerWaalsContact O-CB 3.26Å; I535-A539 WeakPolarHBondContact O-CB 3.31Å; I535-A539 PolarHBondContact O-N 3.18Å; I535-A563 HydrophobicContact CD1-CB 4.37Å; I535-A563 HydrophobicContact CG2-CB 3.85Å; I535-V564 HydrophobicContact CG1-CG2 4.41Å; I535-F567 HydrophobicContact CG2-CD2 3.87Å; I535-F567 HydrophobicContact CG2-CE2 3.66Å
536	E	97.5	Very high	96.1	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-41.7	174.4	-173.6	-176.9	175.5	0	0	111.3	F282 I328 R491 H492 G532 A539 G540 Y603	F282-E536 HydrophobicContact CE2-CB 4.5Å; I328-E536 HydrophobicContact CB-CG 4.26Å; I328-E536 HydrophobicContact CG2-CG 4.19Å; R491-E536 IonicContact CZ-OE1 2.56Å; R491-E536 IonicContact NE-OE1 3.69Å; R491-E536 IonicContact NH2-OE1 3.98Å; R491-E536 PolarHBondContact NH2-OE1 3.12Å; H492-E536 IonicContact CD2-OE2 2.72Å; H492-E536 PolarHBondContact CD2-OE2 3.18Å; H492-E536 IonicContact NE2-OE2 3.87Å; H492-E536 PolarHBondContact NE2-OE2 3.2Å; G532-E536 WeakPolarHBondContact O-CB 3.19Å; G532-E536 PolarHBondContact O-N 2.92Å; E536-A539 PolarHBondContact O-N 2.88Å; E536-G540 WeakPolarHBondContact O-CA 3.32Å; E536-G540 PolarHBondContact O-N 3.43Å; E536-Y603 WeakPolarHBondContact OE1-CB 3.42Å; E536-Y603 PolarHBondContact OE1-N 2.86Å
537	S	97	Very high	96.1	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-48.1	178.5	-173.7	0	0	0	0	112.6	M533 M534 I535 K541 G600 V601	M533-S537 WeakPolarHBondContact O-CB 3.26Å; M533-S537 PolarHBondContact O-N 3.01Å; M534-S537 WeakPolarHBondContact O-CB 3.31Å; M534-S537 PolarHBondContact O-N 2.84Å; I535-S537 VanDerWaalsContact C-N 3.3Å; I535-S537 PolarHBondContact O-N 2.81Å; S537-K541 PolarHBondContact O-N 3.08Å; S537-K541 VanDerWaalsContact O-N 3.16Å; S537-G600 VanDerWaalsContact OG-CA 3.3Å; S537-G600 WeakPolarHBondContact OG-CA 3.39Å; S537-V601 WeakPolarHBondContact CA-O 3.42Å; S537-V601 PolarHBondContact O-N 3Å
538	M	97	Very high	96.2	Very high	11 Å²	11	32 Å²	32	5%	0.054	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-47.7	176.8	-68.3	179.1	68.8	0	0	111.3	M534 I535 K541 A542 V564 F567 L571 Y578 F598	M534-M538 PolarHBondContact O-N 3.26Å; M534-M538 VanDerWaalsContact O-N 3.14Å; I535-M538 PolarHBondContact O-N 3.44Å; M538-K541 PolarHBondContact O-N 3.18Å; M538-A542 PolarHBondContact O-N 3.33Å; M538-V564 HydrophobicContact CE-CG1 4.14Å; M538-V564 HydrophobicContact SD-CG1 4.28Å; M538-F567 HydrophobicContact CB-CB 4.35Å; M538-L571 HydrophobicContact CB-CD1 4.21Å; M538-L571 HydrophobicContact CE-CD1 4.02Å; M538-L571 HydrophobicContact CG-CD1 4.46Å; M538-Y578 VanDerWaalsContact CE-O 3.25Å; M538-Y578 WeakPolarHBondContact CE-O 3.31Å; M538-F598 HydrophobicContact CG-CE2 3.76Å; M538-F598 HydrophobicContact CG-CZ 3.81Å; M538-F598 HydrophobicContact SD-CE2 4.32Å
539	A	97	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-45.1	179.5	0	0	0	0	0	111	I328 I535 E536 K541 A542 A543 L550 F567	I328-A539 HydrophobicContact CD1-CB 4.18Å; I328-A539 HydrophobicContact CG1-CB 3.62Å; I535-A539 VanDerWaalsContact O-CB 3.26Å; I535-A539 WeakPolarHBondContact O-CB 3.31Å; I535-A539 PolarHBondContact O-N 3.18Å; E536-A539 PolarHBondContact O-N 2.88Å; A539-K541 VanDerWaalsContact C-N 3.28Å; A539-K541 PolarHBondContact O-N 2.89Å; A539-A542 PolarHBondContact O-N 3.38Å; A539-A542 VanDerWaalsContact O-N 3.17Å; A539-A543 VanDerWaalsContact O-CB 3.28Å; A539-A543 WeakPolarHBondContact O-CB 3.4Å; A539-A543 PolarHBondContact O-N 2.85Å; A539-L550 HydrophobicContact CB-CD1 4.32Å; A539-L550 WeakPolarHBondContact O-CD1 3.42Å; A539-F567 HydrophobicContact CB-CD1 3.78Å; A539-F567 HydrophobicContact CB-CD2 3.89Å; A539-F567 HydrophobicContact CB-CE1 3.68Å; A539-F567 HydrophobicContact CB-CE2 3.77Å; A539-F567 HydrophobicContact CB-CG 3.91Å; A539-F567 HydrophobicContact CB-CZ 3.68Å
540	G	97.3	Very high	96.2	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-41.5	179.3	0	0	0	0	0	112.6	I328 E536 S544	I328-G540 VanDerWaalsContact CD1-CA 3.43Å; E536-G540 WeakPolarHBondContact O-CA 3.32Å; E536-G540 PolarHBondContact O-N 3.43Å; G540-S544 PolarHBondContact O-N 2.89Å; G540-S544 PolarHBondContact O-OG 2.81Å
541	K	97.2	Very high	96.2	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.039	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-45.3	174.9	-173.1	-178.5	-169	170.3	0	112.4	S537 M538 A539 A543 S544 L545 L571 G580 E582 F599	S537-K541 PolarHBondContact O-N 3.08Å; S537-K541 VanDerWaalsContact O-N 3.16Å; M538-K541 PolarHBondContact O-N 3.18Å; A539-K541 VanDerWaalsContact C-N 3.28Å; A539-K541 PolarHBondContact O-N 2.89Å; K541-A543 VanDerWaalsContact C-N 3.3Å; K541-A543 PolarHBondContact O-N 2.86Å; K541-S544 PolarHBondContact O-N 2.86Å; K541-S544 PolarHBondContact O-OG 3.37Å; K541-L545 HydrophobicContact CG-CD1 4.14Å; K541-L545 VanDerWaalsContact O-CG 3.25Å; K541-L545 WeakPolarHBondContact O-CG 3.13Å; K541-L545 PolarHBondContact O-N 2.68Å; K541-L545 VanDerWaalsContact O-N 3.11Å; K541-L571 HydrophobicContact CB-CD2 4.12Å; K541-L571 HydrophobicContact CD-CD2 3.84Å; K541-L571 HydrophobicContact CG-CD2 3.84Å; K541-G580 PolarHBondContact NZ-O 3.43Å; K541-E582 WeakPolarHBondContact CE-OE1 3.34Å; K541-E582 IonicContact NZ-OE1 2.77Å; K541-E582 PolarHBondContact NZ-OE1 3.14Å; K541-F599 WeakPolarHBondContact CD-O 3.24Å; K541-F599 PolarHBondContact NZ-O 3.19Å
542	A	97	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-43.5	175.1	0	0	0	0	0	111.4	M538 A539 L545 H546 L550 L570 L571	M538-A542 PolarHBondContact O-N 3.33Å; A539-A542 PolarHBondContact O-N 3.38Å; A539-A542 VanDerWaalsContact O-N 3.17Å; A542-L545 PolarHBondContact O-N 2.95Å; A542-H546 PolarHBondContact O-CD2 2.68Å; A542-H546 PolarHBondContact O-N 2.84Å; A542-L550 HydrophobicContact CB-CD1 4.2Å; A542-L570 HydrophobicContact CB-CB 4.01Å; A542-L570 HydrophobicContact CB-CD1 4.49Å; A542-L571 HydrophobicContact CB-CD2 4.09Å; A542-L571 HydrophobicContact CB-CG 4.25Å
543	A	97.2	Very high	96.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-44.6	177	0	0	0	0	0	112.2	L327 I328 A539 K541 L545 G547 T548 L550	L327-A543 HydrophobicContact CB-CB 4.07Å; I328-A543 HydrophobicContact CD1-CB 3.5Å; A539-A543 VanDerWaalsContact O-CB 3.28Å; A539-A543 WeakPolarHBondContact O-CB 3.4Å; A539-A543 PolarHBondContact O-N 2.85Å; K541-A543 VanDerWaalsContact C-N 3.3Å; K541-A543 PolarHBondContact O-N 2.86Å; A543-L545 VanDerWaalsContact C-N 3.33Å; A543-L545 PolarHBondContact O-N 2.9Å; A543-G547 PolarHBondContact O-N 3.46Å; A543-T548 VanDerWaalsContact CB-O 3.27Å; A543-T548 WeakPolarHBondContact CB-O 3.27Å; A543-T548 PolarHBondContact O-N 2.89Å; A543-T548 VanDerWaalsContact O-N 3.16Å; A543-L550 HydrophobicContact CB-CD1 3.82Å; A543-L550 HydrophobicContact CB-CG 3.93Å
544	S	96.5	Very high	96.1	Very high	60 Å²	60	30.8 Å²	30.8	42%	0.42	18%	0.18	S	C	.	.	H	α-helix	trans	-67	-34.2	179.4	64	0	0	0	0	112.8	G540 K541	G540-S544 PolarHBondContact O-N 2.89Å; G540-S544 PolarHBondContact O-OG 2.81Å; K541-S544 PolarHBondContact O-N 2.86Å; K541-S544 PolarHBondContact O-OG 3.37Å
545	L	95.9	Very high	96.1	Very high	68 Å²	68	31 Å²	31	36%	0.356	18%	0.179	S	C	.	.	H	α-helix	trans	-74.3	-41.4	179.5	-67.3	167.9	0	0	0	112.7	K541 A542 A543 L571 A574 Y576	K541-L545 HydrophobicContact CG-CD1 4.14Å; K541-L545 VanDerWaalsContact O-CG 3.25Å; K541-L545 WeakPolarHBondContact O-CG 3.13Å; K541-L545 PolarHBondContact O-N 2.68Å; K541-L545 VanDerWaalsContact O-N 3.11Å; A542-L545 PolarHBondContact O-N 2.95Å; A543-L545 VanDerWaalsContact C-N 3.33Å; A543-L545 PolarHBondContact O-N 2.9Å; L545-L571 HydrophobicContact CD1-CD2 4.19Å; L545-A574 HydrophobicContact CB-CB 4.05Å; L545-A574 HydrophobicContact CD1-CB 3.74Å; L545-A574 HydrophobicContact CG-CB 4.44Å; L545-Y576 HydrophobicContact CD1-CD2 3.41Å; L545-Y576 VanDerWaalsContact CD1-CD2 3.41Å; L545-Y576 HydrophobicContact CD1-CE2 3.5Å; L545-Y576 HydrophobicContact CD1-CG 4.24Å; L545-Y576 HydrophobicContact CD2-CD2 4.33Å; L545-Y576 HydrophobicContact CD2-CE2 3.56Å; L545-Y576 HydrophobicContact CG-CE2 4.19Å
546	H	96.5	Very high	95.8	Very high	75 Å²	75	35 Å²	35	35%	0.347	20%	0.2	S	C	.	.	H	α-helix	trans	-86.5	-6.9	-179.5	-67.9	-65.7	0	0	0	113.6	A542 T548 L570	A542-H546 PolarHBondContact O-CD2 2.68Å; A542-H546 PolarHBondContact O-N 2.84Å; H546-T548 HydrophobicContact CB-CG2 4.39Å; H546-T548 PolarHBondContact O-N 2.85Å; H546-L570 PolarHBondContact NE2-O 3.11Å
547	G	94.8	Very high	95.6	Very high	73 Å²	73	36.4 Å²	36.4	75%	0.753	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	26.2	-177.3	0	0	0	0	0	113.4	A543	A543-G547 PolarHBondContact O-N 3.46Å
548	T	93.4	Very high	95.3	Very high	67 Å²	67	40 Å²	40	41%	0.411	23%	0.225	S	C	.	.			trans	-114.9	159.3	-176.6	57.5	0	0	0	0	111.5	A543 H546	A543-T548 VanDerWaalsContact CB-O 3.27Å; A543-T548 WeakPolarHBondContact CB-O 3.27Å; A543-T548 PolarHBondContact O-N 2.89Å; A543-T548 VanDerWaalsContact O-N 3.16Å; H546-T548 HydrophobicContact CB-CG2 4.39Å; H546-T548 PolarHBondContact O-N 2.85Å
549	K	92.1	Very high	95	Very high	122 Å²	122	48.8 Å²	48.8	53%	0.53	27%	0.266	S	S	.	.			trans	-98.1	132.9	170	-53.9	-178	-169.6	178.2	0	107.7	L327 R329	L327-K549 WeakPolarHBondContact O-CA 3.36Å; R329-K549 VanDerWaalsContact NH1-NZ 3.2Å; R329-K549 VanDerWaalsContact NH2-NZ 3.19Å
550	L	95.1	Very high	94.7	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.9	-176.7	-61.1	176.1	0	0	0	110.8	L327 I328 R329 A539 A542 A543 F567 L570	L327-L550 PolarHBondContact O-N 2.65Å; L327-L550 VanDerWaalsContact O-N 3.16Å; I328-L550 HydrophobicContact CD1-CB 4.08Å; I328-L550 HydrophobicContact CD1-CD1 4.48Å; R329-L550 PolarHBondContact N-O 2.77Å; R329-L550 VanDerWaalsContact N-O 3.1Å; A539-L550 HydrophobicContact CB-CD1 4.32Å; A539-L550 WeakPolarHBondContact O-CD1 3.42Å; A542-L550 HydrophobicContact CB-CD1 4.2Å; A543-L550 HydrophobicContact CB-CD1 3.82Å; A543-L550 HydrophobicContact CB-CG 3.93Å; L550-F567 HydrophobicContact CB-CE1 4.27Å; L550-F567 HydrophobicContact CD1-CD1 3.92Å; L550-F567 HydrophobicContact CD1-CE1 3.7Å; L550-F567 HydrophobicContact CG-CE1 4.45Å; L550-L570 HydrophobicContact CD1-CD1 4.49Å; L550-L570 HydrophobicContact CD2-CD1 4.5Å
551	D	95.9	Very high	94.5	Very high	53 Å²	53	63.8 Å²	63.8	28%	0.283	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131	178.9	-174.4	18.9	0	0	0	111.1	R329 T553 N556	R329-D551 WeakPolarHBondContact O-CA 3.26Å; D551-T553 WeakPolarHBondContact OD1-CB 3.22Å; D551-T553 PolarHBondContact OD1-N 2.72Å; D551-T553 PolarHBondContact OD1-OG1 2.9Å; D551-T553 PolarHBondContact OD2-OG1 3.14Å; D551-N556 PolarHBondContact OD2-ND2 3.1Å
552	S	96.3	Very high	94.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.342	C	S	.	.			trans	-119.7	20.5	176.1	63.9	0	0	0	0	113.5	P281 F282 I328 R329 T330	P281-S552 WeakPolarHBondContact CA-OG 3.45Å; P281-S552 VanDerWaalsContact CB-OG 3.29Å; P281-S552 WeakPolarHBondContact CB-OG 3.1Å; F282-S552 PolarHBondContact N-O 2.91Å; I328-S552 VanDerWaalsContact CG2-CB 3.41Å; R329-S552 VanDerWaalsContact C-OG 3.29Å; R329-S552 PolarHBondContact O-N 2.97Å; R329-S552 VanDerWaalsContact O-N 3.11Å; T330-S552 PolarHBondContact N-OG 3.1Å
553	T	96.8	Very high	94.2	Very high	11 Å²	11	65.9 Å²	65.9	7%	0.067	34%	0.342	C	S	.	.			trans	-57.3	127.6	177.1	-57.5	0	0	0	0	109.5	T270 T331 D551	T270-T553 HydrophobicContact CG2-CG2 3.99Å; T331-T553 PolarHBondContact N-OG1 3.03Å; T331-T553 PolarHBondContact OG1-OG1 3.27Å; D551-T553 WeakPolarHBondContact OD1-CB 3.22Å; D551-T553 PolarHBondContact OD1-N 2.72Å; D551-T553 PolarHBondContact OD1-OG1 2.9Å; D551-T553 PolarHBondContact OD2-OG1 3.14Å
554	P	95.7	Very high	94	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.019	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	150.6	178.1	-25.5	33.2	0	0	0	112.5	T270 A283 D284 N556	T270-P554 HydrophobicContact CG2-CB 4.13Å; T270-P554 HydrophobicContact CG2-CG 4.28Å; A283-P554 HydrophobicContact CB-CG 3.83Å; D284-P554 HydrophobicContact CB-CB 4.26Å; P554-N556 VanDerWaalsContact C-N 3.26Å; P554-N556 PolarHBondContact O-N 2.85Å
555	F	94.4	Very high	94	Very high	70 Å²	70	70.5 Å²	70.5	31%	0.307	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	6.7	176.5	-43.1	-67.9	0	0	0	117.1	K253 P269 T270 F272 D284	K253-F555 PolarHBondContact NZ-O 2.89Å; P269-F555 HydrophobicContact CB-CB 4.05Å; P269-F555 HydrophobicContact CB-CD2 3.85Å; P269-F555 HydrophobicContact CB-CG 4.23Å; T270-F555 HydrophobicContact CG2-CD2 4.05Å; T270-F555 HydrophobicContact CG2-CE2 4.39Å; F272-F555 AromaticContact CE1-CE2 3.75Å; F272-F555 HydrophobicContact CE1-CE2 3.75Å; F272-F555 HydrophobicContact CE1-CZ 4.11Å; F272-F555 AromaticContact CZ-CE2 3.83Å; F272-F555 HydrophobicContact CZ-CE2 3.83Å; F272-F555 AromaticContact CZ-CZ 3.89Å; F272-F555 HydrophobicContact CZ-CZ 3.89Å; D284-F555 HydrophobicContact CB-CD1 4Å; D284-F555 HydrophobicContact CB-CE1 3.75Å; D284-F555 HydrophobicContact CB-CZ 4.31Å; D284-F555 PolarHBondContact OD2-N 2.73Å
556	N	92.2	Very high	94	Very high	89 Å²	89	72.1 Å²	72.1	48%	0.476	36%	0.361	S	S	.	.	S	Bend	trans	-74.1	-26.5	171.7	-80.5	-1.8	0	0	0	113.2	D551 P554	D551-N556 PolarHBondContact OD2-ND2 3.1Å; P554-N556 VanDerWaalsContact C-N 3.26Å; P554-N556 PolarHBondContact O-N 2.85Å
557	Y	92.8	Very high	94	Very high	34 Å²	34	68.6 Å²	68.6	13%	0.133	35%	0.345	C	S	.	.			trans	-103.2	154	176.6	-58.9	-84.7	0	0	0	109.6	F282 A563 Y566 F567	F282-Y557 HydrophobicContact CE1-CD2 4.27Å; F282-Y557 AromaticContact CE1-CE2 3.82Å; F282-Y557 HydrophobicContact CE1-CE2 3.82Å; Y557-A563 VanDerWaalsContact CD1-CA 3.43Å; Y557-A563 HydrophobicContact CD1-CB 3.81Å; Y557-A563 HydrophobicContact CD2-CB 3.81Å; Y557-A563 HydrophobicContact CE1-CB 4.11Å; Y557-A563 HydrophobicContact CE2-CB 4.15Å; Y557-A563 HydrophobicContact CG-CB 3.64Å; Y557-Y566 HydrophobicContact CE1-CD1 4.3Å; Y557-Y566 HydrophobicContact CE1-CG 4.34Å; Y557-F567 HydrophobicContact CE2-CZ 4.47Å; Y557-F567 VanDerWaalsContact OH-CZ 3.3Å; Y557-F567 WeakPolarHBondContact OH-CZ 3.24Å
558	N	90.2	Very high	94.1	Very high	78 Å²	78	65.1 Å²	65.1	42%	0.417	31%	0.309	S	S	.	.			trans	-140.7	178.2	178.3	63.3	29.5	0	0	0	109.8	R560 N561 P562	N558-R560 PolarHBondContact O-N 3.14Å; N558-R560 PolarHBondContact OD1-N 3.23Å; N558-R560 VanDerWaalsContact OD1-N 3.1Å; N558-N561 PolarHBondContact N-O 3.48Å; N558-N561 CarbonylContact O-C 3.46Å; N558-N561 PolarHBondContact O-N 3.05Å; N558-N561 PolarHBondContact OD1-N 2.9Å; N558-P562 WeakPolarHBondContact O-CA 3.37Å
559	E	90.5	Very high	94.3	Very high	196 Å²	196	65.3 Å²	65.3	92%	0.916	31%	0.307	S	S	*	.	S	Bend	trans	-62.5	-29.8	-177.9	-62.4	-178.5	172.2	0	0	113.1
560	R	91.7	Very high	94.5	Very high	237 Å²	237	61 Å²	61	89%	0.894	29%	0.29	S	S	*	.	S	Bend	trans	-77.8	-31.3	178.8	-63.2	-178	-178.3	177.4	0.9	112.5	N558	N558-R560 PolarHBondContact O-N 3.14Å; N558-R560 PolarHBondContact OD1-N 3.23Å; N558-R560 VanDerWaalsContact OD1-N 3.1Å
561	N	91.8	Very high	94.6	Very high	80 Å²	80	60.3 Å²	60.3	43%	0.428	29%	0.286	S	S	.	.	S	Bend	trans	-129.5	76.7	177.7	-169.5	24.5	0	0	0	110.2	N558	N558-N561 PolarHBondContact N-O 3.48Å; N558-N561 CarbonylContact O-C 3.46Å; N558-N561 PolarHBondContact O-N 3.05Å; N558-N561 PolarHBondContact OD1-N 2.9Å
562	P	93.9	Very high	94.7	Very high	52 Å²	52	61.2 Å²	61.2	34%	0.338	29%	0.294	S	S	.	.			trans	-71.8	144.5	-175.5	28	-33.8	0	0	0	111.3	N558 V564 K565 Y566	N558-P562 WeakPolarHBondContact O-CA 3.37Å; P562-V564 PolarHBondContact O-N 3.17Å; P562-K565 HydrophobicContact CG-CB 3.98Å; P562-K565 WeakPolarHBondContact O-CB 3.48Å; P562-K565 PolarHBondContact O-N 2.95Å; P562-Y566 PolarHBondContact O-N 3.13Å
563	A	93.8	Very high	94.7	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-54.2	-38.7	179.5	0	0	0	0	0	113.1	I535 Y557 K565 Y566 F567	I535-A563 HydrophobicContact CD1-CB 4.37Å; I535-A563 HydrophobicContact CG2-CB 3.85Å; Y557-A563 VanDerWaalsContact CD1-CA 3.43Å; Y557-A563 HydrophobicContact CD1-CB 3.81Å; Y557-A563 HydrophobicContact CD2-CB 3.81Å; Y557-A563 HydrophobicContact CE1-CB 4.11Å; Y557-A563 HydrophobicContact CE2-CB 4.15Å; Y557-A563 HydrophobicContact CG-CB 3.64Å; A563-K565 VanDerWaalsContact C-N 3.25Å; A563-K565 PolarHBondContact O-N 3.4Å; A563-Y566 PolarHBondContact O-N 3.3Å; A563-F567 HydrophobicContact CB-CD2 4.28Å; A563-F567 HydrophobicContact CB-CE2 3.98Å; A563-F567 WeakPolarHBondContact O-CD2 3.48Å; A563-F567 PolarHBondContact O-N 3.11Å
564	V	94.6	Very high	94.7	Very high	54 Å²	54	70.2 Å²	70.2	33%	0.327	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-37.5	179.1	-178.6	0	0	0	0	111.6	I535 M538 P562 G568	I535-V564 HydrophobicContact CG1-CG2 4.41Å; M538-V564 HydrophobicContact CE-CG1 4.14Å; M538-V564 HydrophobicContact SD-CG1 4.28Å; P562-V564 PolarHBondContact O-N 3.17Å; V564-G568 PolarHBondContact O-N 3.08Å
565	K	95.8	Very high	94.7	Very high	104 Å²	104	73.5 Å²	73.5	45%	0.452	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-49.4	178.7	-177.6	-178.3	179.8	-177.3	0	111.3	P562 A563 F567 G568 D569 Y578	P562-K565 HydrophobicContact CG-CB 3.98Å; P562-K565 WeakPolarHBondContact O-CB 3.48Å; P562-K565 PolarHBondContact O-N 2.95Å; A563-K565 VanDerWaalsContact C-N 3.25Å; A563-K565 PolarHBondContact O-N 3.4Å; K565-F567 PolarHBondContact O-N 3.36Å; K565-G568 PolarHBondContact O-N 3.14Å; K565-D569 PolarHBondContact O-N 2.91Å; K565-Y578 WeakPolarHBondContact CA-OH 3.49Å
566	Y	95.8	Very high	94.7	Very high	102 Å²	102	73.2 Å²	73.2	40%	0.4	37%	0.37	S	S	.	.	H	α-helix	trans	-59	-48.4	179.8	178.8	-103.8	0	0	0	112.4	Y557 P562 A563 L570	Y557-Y566 HydrophobicContact CE1-CD1 4.3Å; Y557-Y566 HydrophobicContact CE1-CG 4.34Å; P562-Y566 PolarHBondContact O-N 3.13Å; A563-Y566 PolarHBondContact O-N 3.3Å; Y566-L570 HydrophobicContact CD1-CD1 4.24Å; Y566-L570 HydrophobicContact CE1-CD1 3.68Å; Y566-L570 PolarHBondContact O-N 2.89Å
567	F	96.5	Very high	95	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-73.4	-32.8	179.9	-59.4	-53.1	0	0	0	112.8	F282 I535 M538 A539 L550 Y557 A563 K565 L570 L571	F282-F567 HydrophobicContact CE1-CE2 4.11Å; F282-F567 HydrophobicContact CE1-CZ 4.3Å; F282-F567 AromaticContact CZ-CE2 3.71Å; F282-F567 HydrophobicContact CZ-CE2 3.71Å; F282-F567 AromaticContact CZ-CZ 3.8Å; F282-F567 HydrophobicContact CZ-CZ 3.8Å; I535-F567 HydrophobicContact CG2-CD2 3.87Å; I535-F567 HydrophobicContact CG2-CE2 3.66Å; M538-F567 HydrophobicContact CB-CB 4.35Å; A539-F567 HydrophobicContact CB-CD1 3.78Å; A539-F567 HydrophobicContact CB-CD2 3.89Å; A539-F567 HydrophobicContact CB-CE1 3.68Å; A539-F567 HydrophobicContact CB-CE2 3.77Å; A539-F567 HydrophobicContact CB-CG 3.91Å; A539-F567 HydrophobicContact CB-CZ 3.68Å; L550-F567 HydrophobicContact CB-CE1 4.27Å; L550-F567 HydrophobicContact CD1-CD1 3.92Å; L550-F567 HydrophobicContact CD1-CE1 3.7Å; L550-F567 HydrophobicContact CG-CE1 4.45Å; Y557-F567 HydrophobicContact CE2-CZ 4.47Å; Y557-F567 VanDerWaalsContact OH-CZ 3.3Å; Y557-F567 WeakPolarHBondContact OH-CZ 3.24Å; A563-F567 HydrophobicContact CB-CD2 4.28Å; A563-F567 HydrophobicContact CB-CE2 3.98Å; A563-F567 WeakPolarHBondContact O-CD2 3.48Å; A563-F567 PolarHBondContact O-N 3.11Å; K565-F567 PolarHBondContact O-N 3.36Å; F567-L570 HydrophobicContact CD1-CD1 4.34Å; F567-L570 PolarHBondContact O-N 3.17Å; F567-L571 WeakPolarHBondContact O-CG 3.31Å; F567-L571 PolarHBondContact O-N 3.32Å
568	G	96.7	Very high	95.2	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.9	-38.8	175.8	0	0	0	0	0	113.1	V564 K565 L570 L571 T572 Y578	V564-G568 PolarHBondContact O-N 3.08Å; K565-G568 PolarHBondContact O-N 3.14Å; G568-L570 VanDerWaalsContact C-N 3.33Å; G568-L570 PolarHBondContact O-N 3.16Å; G568-L571 PolarHBondContact O-N 2.89Å; G568-T572 WeakPolarHBondContact O-CB 3.18Å; G568-T572 PolarHBondContact O-N 3.3Å; G568-T572 PolarHBondContact O-OG1 3.28Å; G568-Y578 WeakPolarHBondContact CA-O 3.45Å; G568-Y578 WeakPolarHBondContact O-CD2 3.41Å
569	D	97.3	Very high	95.5	Very high	72 Å²	72	76.5 Å²	76.5	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-40.3	172.9	-72.6	-22.8	0	0	0	111.3	K565 T572 K573 Y578	K565-D569 PolarHBondContact O-N 2.91Å; D569-T572 PolarHBondContact O-N 3.37Å; D569-K573 VanDerWaalsContact O-CG 3.31Å; D569-K573 WeakPolarHBondContact O-CG 3.45Å; D569-K573 PolarHBondContact O-N 3.28Å; D569-Y578 WeakPolarHBondContact OD1-CE2 3.12Å
570	L	97	Very high	95.7	Very high	30 Å²	30	67.2 Å²	67.2	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-40.1	175.9	-72.5	174.6	0	0	0	112.6	A542 H546 L550 Y566 F567 G568 K573 A574	A542-L570 HydrophobicContact CB-CB 4.01Å; A542-L570 HydrophobicContact CB-CD1 4.49Å; H546-L570 PolarHBondContact NE2-O 3.11Å; L550-L570 HydrophobicContact CD1-CD1 4.49Å; L550-L570 HydrophobicContact CD2-CD1 4.5Å; Y566-L570 HydrophobicContact CD1-CD1 4.24Å; Y566-L570 HydrophobicContact CE1-CD1 3.68Å; Y566-L570 PolarHBondContact O-N 2.89Å; F567-L570 HydrophobicContact CD1-CD1 4.34Å; F567-L570 PolarHBondContact O-N 3.17Å; G568-L570 VanDerWaalsContact C-N 3.33Å; G568-L570 PolarHBondContact O-N 3.16Å; L570-K573 PolarHBondContact O-N 2.82Å; L570-A574 PolarHBondContact O-N 3.3Å
571	L	97.2	Very high	95.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-42.8	175.4	-72.9	171.9	0	0	0	111.5	M538 K541 A542 L545 F567 G568 K573 A574 G575 Y576	M538-L571 HydrophobicContact CB-CD1 4.21Å; M538-L571 HydrophobicContact CE-CD1 4.02Å; M538-L571 HydrophobicContact CG-CD1 4.46Å; K541-L571 HydrophobicContact CB-CD2 4.12Å; K541-L571 HydrophobicContact CD-CD2 3.84Å; K541-L571 HydrophobicContact CG-CD2 3.84Å; A542-L571 HydrophobicContact CB-CD2 4.09Å; A542-L571 HydrophobicContact CB-CG 4.25Å; L545-L571 HydrophobicContact CD1-CD2 4.19Å; F567-L571 WeakPolarHBondContact O-CG 3.31Å; F567-L571 PolarHBondContact O-N 3.32Å; G568-L571 PolarHBondContact O-N 2.89Å; L571-K573 VanDerWaalsContact C-N 3.33Å; L571-K573 PolarHBondContact O-N 2.86Å; L571-A574 CarbonylContact O-C 3.53Å; L571-A574 WeakPolarHBondContact O-CA 3.31Å; L571-A574 PolarHBondContact O-N 3.16Å; L571-G575 PolarHBondContact O-N 3.11Å; L571-Y576 PolarHBondContact O-N 3.39Å
572	T	97.4	Very high	96.2	Very high	73 Å²	73	55.3 Å²	55.3	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.4	-54.2	0	0	0	0	111.1	G568 D569 A574 G575 Y576 Y578	G568-T572 WeakPolarHBondContact O-CB 3.18Å; G568-T572 PolarHBondContact O-N 3.3Å; G568-T572 PolarHBondContact O-OG1 3.28Å; D569-T572 PolarHBondContact O-N 3.37Å; T572-A574 PolarHBondContact O-N 3.41Å; T572-G575 PolarHBondContact O-N 3.45Å; T572-Y576 WeakPolarHBondContact CA-O 3.4Å; T572-Y578 WeakPolarHBondContact OG1-CD2 3.35Å
573	K	96.9	Very high	96.3	Very high	166 Å²	166	57.2 Å²	57.2	72%	0.722	29%	0.287	S	S	*	.	H	α-helix	trans	-61.1	-30	174	-75.5	173.9	-177.7	178.1	0	113.4	D569 L570 L571 G575	D569-K573 VanDerWaalsContact O-CG 3.31Å; D569-K573 WeakPolarHBondContact O-CG 3.45Å; D569-K573 PolarHBondContact O-N 3.28Å; L570-K573 PolarHBondContact O-N 2.82Å; L571-K573 VanDerWaalsContact C-N 3.33Å; L571-K573 PolarHBondContact O-N 2.86Å; K573-G575 VanDerWaalsContact C-N 3.28Å
574	A	95.8	Very high	96.4	Very high	34 Å²	34	57.2 Å²	57.2	28%	0.281	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1	175.8	0	0	0	0	0	113.5	L545 L570 L571 T572 Y576	L545-A574 HydrophobicContact CB-CB 4.05Å; L545-A574 HydrophobicContact CD1-CB 3.74Å; L545-A574 HydrophobicContact CG-CB 4.44Å; L570-A574 PolarHBondContact O-N 3.3Å; L571-A574 CarbonylContact O-C 3.53Å; L571-A574 WeakPolarHBondContact O-CA 3.31Å; L571-A574 PolarHBondContact O-N 3.16Å; T572-A574 PolarHBondContact O-N 3.41Å; A574-Y576 HydrophobicContact CB-CD2 4.3Å
575	G	95.3	Very high	96.6	Very high	71 Å²	71	57.4 Å²	57.4	73%	0.732	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	12.1	180	0	0	0	0	0	115	L571 T572 K573	L571-G575 PolarHBondContact O-N 3.11Å; T572-G575 PolarHBondContact O-N 3.45Å; K573-G575 VanDerWaalsContact C-N 3.28Å
576	Y	96.1	Very high	96.6	Very high	65 Å²	65	53 Å²	53	26%	0.255	26%	0.263	S	S	.	.	S	Bend	trans	-99.4	165.8	176.2	-75.5	-93.7	0	0	0	111.9	L545 L571 T572 A574 Y578 E582	L545-Y576 HydrophobicContact CD1-CD2 3.41Å; L545-Y576 VanDerWaalsContact CD1-CD2 3.41Å; L545-Y576 HydrophobicContact CD1-CE2 3.5Å; L545-Y576 HydrophobicContact CD1-CG 4.24Å; L545-Y576 HydrophobicContact CD2-CD2 4.33Å; L545-Y576 HydrophobicContact CD2-CE2 3.56Å; L545-Y576 HydrophobicContact CG-CE2 4.19Å; L571-Y576 PolarHBondContact O-N 3.39Å; T572-Y576 WeakPolarHBondContact CA-O 3.4Å; A574-Y576 HydrophobicContact CB-CD2 4.3Å; Y576-Y578 PolarHBondContact O-N 3.43Å; Y576-E582 HydrophobicContact CD1-CG 4.05Å; Y576-E582 HydrophobicContact CE1-CG 4.27Å; Y576-E582 VanDerWaalsContact CE1-OE1 3.22Å; Y576-E582 WeakPolarHBondContact CE1-OE1 3.25Å
577	N	96.8	Very high	96.5	Very high	62 Å²	62	48.9 Å²	48.9	33%	0.332	25%	0.253	S	S	.	.			trans	-58.1	136.5	172.9	-172.5	-72.3	0	0	0	111.2	Y579 G580 N581	N577-Y579 VanDerWaalsContact C-N 3.26Å; N577-Y579 PolarHBondContact O-N 2.95Å; N577-Y579 PolarHBondContact OD1-N 2.91Å; N577-G580 PolarHBondContact O-N 3.18Å; N577-N581 WeakPolarHBondContact CB-O 3.33Å
578	Y	97.1	Very high	96.4	Very high	67 Å²	67	54.1 Å²	54.1	26%	0.263	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.5	179.4	179.2	-88.9	0	0	0	113.7	M538 K565 G568 D569 T572 Y576 G580	M538-Y578 VanDerWaalsContact CE-O 3.25Å; M538-Y578 WeakPolarHBondContact CE-O 3.31Å; K565-Y578 WeakPolarHBondContact CA-OH 3.49Å; G568-Y578 WeakPolarHBondContact CA-O 3.45Å; G568-Y578 WeakPolarHBondContact O-CD2 3.41Å; D569-Y578 WeakPolarHBondContact OD1-CE2 3.12Å; T572-Y578 WeakPolarHBondContact OG1-CD2 3.35Å; Y576-Y578 PolarHBondContact O-N 3.43Å; Y578-G580 VanDerWaalsContact C-N 3.34Å
579	Y	96.4	Very high	96.3	Very high	141 Å²	141	58.2 Å²	58.2	55%	0.553	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.4	-179.7	-61.4	-70	0	0	0	113.7	N577 N581 F598	N577-Y579 VanDerWaalsContact C-N 3.26Å; N577-Y579 PolarHBondContact O-N 2.95Å; N577-Y579 PolarHBondContact OD1-N 2.91Å; Y579-N581 VanDerWaalsContact C-N 3.33Å; Y579-F598 VanDerWaalsContact O-CE2 3.28Å; Y579-F598 WeakPolarHBondContact O-CE2 3.47Å
580	G	94.8	Very high	96.2	Very high	1 Å²	1	57 Å²	57	1%	0.01	31%	0.305	C	S	.	.	S	Bend	trans	81.7	5.6	-179.2	0	0	0	0	0	115.3	K541 N577 Y578 F599	K541-G580 PolarHBondContact NZ-O 3.43Å; N577-G580 PolarHBondContact O-N 3.18Å; Y578-G580 VanDerWaalsContact C-N 3.34Å; G580-F599 PolarHBondContact O-N 2.72Å
581	N	97.1	Very high	96.2	Very high	50 Å²	50	64 Å²	64	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.3	175.3	-58.3	-30.6	0	0	0	111.3	N577 Y579 D596 I597	N577-N581 WeakPolarHBondContact CB-O 3.33Å; Y579-N581 VanDerWaalsContact C-N 3.33Å; N581-D596 HydrophobicContact CB-CB 3.75Å; N581-I597 CarbonylContact C-O 3.45Å; N581-I597 WeakPolarHBondContact CA-O 3.35Å
582	E	96.8	Very high	96.1	Very high	17 Å²	17	66.6 Å²	66.6	8%	0.079	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.5	174.1	-77.7	-171.4	-131.6	0	0	111.5	A510 K541 Y576 M584 D596 I597 F599	A510-E582 WeakPolarHBondContact CB-OE2 3.32Å; K541-E582 WeakPolarHBondContact CE-OE1 3.34Å; K541-E582 IonicContact NZ-OE1 2.77Å; K541-E582 PolarHBondContact NZ-OE1 3.14Å; Y576-E582 HydrophobicContact CD1-CG 4.05Å; Y576-E582 HydrophobicContact CE1-CG 4.27Å; Y576-E582 VanDerWaalsContact CE1-OE1 3.22Å; Y576-E582 WeakPolarHBondContact CE1-OE1 3.25Å; E582-M584 PolarHBondContact O-N 3.43Å; E582-D596 CarbonylContact O-C 3.53Å; E582-D596 WeakPolarHBondContact O-CA 3.47Å; E582-I597 PolarHBondContact N-O 3.22Å; E582-I597 PolarHBondContact O-N 3.44Å; E582-F599 HydrophobicContact CB-CB 4.45Å; E582-F599 WeakPolarHBondContact OE1-CD1 3.4Å
583	R	96.6	Very high	96	Very high	92 Å²	92	65 Å²	65	35%	0.347	34%	0.335	S	S	.	.			trans	-64.1	119.4	168.2	-177.2	63.8	58.6	175.1	-1.7	108.4	E511 Y585 S592 F593 D596	E511-R583 PolarHBondContact N-O 3.44Å; R583-Y585 HydrophobicContact CG-CE2 4.31Å; R583-S592 WeakPolarHBondContact CD-OG 3.15Å; R583-S592 PolarHBondContact NH1-OG 2.59Å; R583-F593 PolarHBondContact NH1-O 2.77Å; R583-D596 IonicContact CZ-OD1 3.84Å; R583-D596 IonicContact NE-OD1 2.8Å; R583-D596 PolarHBondContact NE-OD1 2.86Å; R583-D596 IonicContact NH1-OD1 3.87Å; R583-D596 IonicContact NH2-OD1 2.77Å; R583-D596 PolarHBondContact NH2-OD1 3.34Å; R583-D596 VanDerWaalsContact NH2-OD1 3.14Å
584	M	96.9	Very high	95.9	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155	177.2	-66.8	-167.9	83.3	0	0	111.2	A350 P508 F509 A510 P516 E582 F593 I597 F599	A350-M584 HydrophobicContact CB-SD 4.5Å; P508-M584 HydrophobicContact CB-CE 3.81Å; P508-M584 HydrophobicContact CG-CE 4.1Å; P508-M584 WeakPolarHBondContact O-CE 3.45Å; F509-M584 CarbonylContact O-C 3.58Å; F509-M584 VanDerWaalsContact O-CA 3.29Å; F509-M584 WeakPolarHBondContact O-CA 3.07Å; A510-M584 HydrophobicContact CB-CG 4.4Å; P516-M584 HydrophobicContact CG-CE 4.45Å; E582-M584 PolarHBondContact O-N 3.43Å; M584-F593 HydrophobicContact CB-CD2 3.82Å; M584-F593 HydrophobicContact CB-CE2 4.2Å; M584-F593 WeakPolarHBondContact O-CD2 3.14Å; M584-F593 PolarHBondContact O-N 3.43Å; M584-I597 HydrophobicContact CB-CB 4.38Å; M584-I597 HydrophobicContact CB-CG1 3.97Å; M584-I597 HydrophobicContact CG-CB 3.97Å; M584-I597 HydrophobicContact CG-CG1 4.14Å; M584-I597 HydrophobicContact SD-CB 3.65Å; M584-I597 HydrophobicContact SD-CG1 4.08Å; M584-I597 HydrophobicContact SD-CG2 3.71Å; M584-F599 HydrophobicContact CE-CD2 4.38Å; M584-F599 HydrophobicContact CE-CE2 4.27Å; M584-F599 HydrophobicContact SD-CD2 4.26Å
585	Y	97.6	Very high	96	Very high	59 Å²	59	68.5 Å²	68.5	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.2	179.3	-56	-94.7	0	0	0	109.2	P508 F509 E511 R583 R591	P508-Y585 CarbonylContact C-O 3.55Å; P508-Y585 WeakPolarHBondContact CA-O 3Å; F509-Y585 HydrophobicContact CD2-CD2 4.05Å; F509-Y585 HydrophobicContact CD2-CG 4.4Å; F509-Y585 AromaticContact CE2-CD2 3.74Å; F509-Y585 HydrophobicContact CE2-CD2 3.74Å; F509-Y585 AromaticContact CE2-CG 3.79Å; F509-Y585 HydrophobicContact CE2-CG 3.79Å; F509-Y585 HydrophobicContact CZ-CD2 4.41Å; F509-Y585 AromaticContact CZ-CG 3.99Å; F509-Y585 HydrophobicContact CZ-CG 3.99Å; F509-Y585 PolarHBondContact N-O 2.62Å; F509-Y585 PolarHBondContact O-N 3.47Å; E511-Y585 HydrophobicContact CB-CE2 4.19Å; R583-Y585 HydrophobicContact CG-CE2 4.31Å; Y585-R591 CarbonylContact C-O 3.48Å; Y585-R591 WeakPolarHBondContact CA-O 3.29Å
586	S	96.3	Very high	96	Very high	10 Å²	10	67.8 Å²	67.8	7%	0.07	34%	0.339	C	S	.	.			trans	-74.1	129.3	176	159.5	0	0	0	0	110	I588 D589 G590 R591	S586-I588 PolarHBondContact O-N 3.3Å; S586-I588 PolarHBondContact OG-N 3.24Å; S586-D589 WeakPolarHBondContact CB-OD1 3.2Å; S586-D589 PolarHBondContact OG-OD1 3.31Å; S586-G590 WeakPolarHBondContact O-CA 3.38Å; S586-G590 PolarHBondContact O-N 3.26Å; S586-R591 PolarHBondContact N-O 3.35Å
587	G	94.5	Very high	96.1	Very high	17 Å²	17	65.3 Å²	65.3	18%	0.175	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.5	175.9	0	0	0	0	0	113.4	E505 M507	E505-G587 CarbonylContact O-C 3.58Å; E505-G587 WeakPolarHBondContact O-CA 3.42Å; E505-G587 VanDerWaalsContact O-O 3.05Å; M507-G587 WeakPolarHBondContact O-CA 3.48Å
588	I	94.4	Very high	96.1	Very high	109 Å²	109	64 Å²	64	56%	0.559	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-46	-175.2	-58.1	173.4	0	0	0	111.4	W502 N506 S586	W502-I588 HydrophobicContact CZ2-CD1 4.44Å; N506-I588 HydrophobicContact CB-CG1 4.47Å; S586-I588 PolarHBondContact O-N 3.3Å; S586-I588 PolarHBondContact OG-N 3.24Å
589	D	94.6	Very high	96.1	Very high	87 Å²	87	61.1 Å²	61.1	47%	0.465	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-3.3	-173.8	69.1	-21.2	0	0	0	113.8	S586 R591	S586-D589 WeakPolarHBondContact CB-OD1 3.2Å; S586-D589 PolarHBondContact OG-OD1 3.31Å; D589-R591 PolarHBondContact O-N 3.05Å; D589-R591 PolarHBondContact OD1-N 3.18Å; D589-R591 WeakPolarHBondContact OD2-CD 2.93Å; D589-R591 IonicContact OD2-NE 3.33Å
590	G	94.3	Very high	96.1	Very high	45 Å²	45	54.5 Å²	54.5	46%	0.464	28%	0.284	S	S	.	.			trans	74.2	2.2	177.3	0	0	0	0	0	115	S586	S586-G590 WeakPolarHBondContact O-CA 3.38Å; S586-G590 PolarHBondContact O-N 3.26Å
591	R	96.3	Very high	96.3	Very high	178 Å²	178	55.3 Å²	55.3	67%	0.672	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-81.9	148.2	-177.5	-64.3	-177.6	-179	163.5	-2.5	111.2	Y585 S586 D589	Y585-R591 CarbonylContact C-O 3.48Å; Y585-R591 WeakPolarHBondContact CA-O 3.29Å; S586-R591 PolarHBondContact N-O 3.35Å; D589-R591 PolarHBondContact O-N 3.05Å; D589-R591 PolarHBondContact OD1-N 3.18Å; D589-R591 WeakPolarHBondContact OD2-CD 2.93Å; D589-R591 IonicContact OD2-NE 3.33Å
592	S	96.3	Very high	96.3	Very high	54 Å²	54	53 Å²	53	38%	0.378	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-62	139.8	168.9	170.8	0	0	0	0	110.2	R583	R583-S592 WeakPolarHBondContact CD-OG 3.15Å; R583-S592 PolarHBondContact NH1-OG 2.59Å
593	F	95.8	Very high	96.4	Very high	40 Å²	40	52.3 Å²	52.3	18%	0.175	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64.4	157.3	165.8	-68.6	-68.3	0	0	0	111.3	I352 H354 P508 R583 M584 V595 I597	I352-F593 HydrophobicContact CD1-CD1 4.34Å; I352-F593 HydrophobicContact CD1-CD2 4.12Å; I352-F593 HydrophobicContact CD1-CE1 4.04Å; I352-F593 HydrophobicContact CD1-CE2 3.83Å; I352-F593 HydrophobicContact CD1-CG 4.38Å; I352-F593 HydrophobicContact CD1-CZ 3.78Å; H354-F593 AromaticContact CE1-CE1 3.99Å; H354-F593 AromaticContact CE1-CZ 3.77Å; H354-F593 AromaticContact ND1-CE1 3.69Å; H354-F593 AromaticContact ND1-CZ 3.67Å; P508-F593 HydrophobicContact CB-CE2 3.67Å; P508-F593 HydrophobicContact CB-CZ 4.09Å; R583-F593 PolarHBondContact NH1-O 2.77Å; M584-F593 HydrophobicContact CB-CD2 3.82Å; M584-F593 HydrophobicContact CB-CE2 4.2Å; M584-F593 WeakPolarHBondContact O-CD2 3.14Å; M584-F593 PolarHBondContact O-N 3.43Å; F593-V595 VanDerWaalsContact C-N 3.28Å; F593-V595 PolarHBondContact O-N 3.13Å; F593-I597 HydrophobicContact CD2-CG1 4.26Å
594	L	95.1	Very high	96.4	Very high	172 Å²	172	48 Å²	48	90%	0.901	26%	0.258	S	S	*	.	S	Bend	trans	-64.1	-34.3	-179.5	-69.8	167.4	0	0	0	112.5
595	V	96	Very high	96.4	Very high	101 Å²	101	48.2 Å²	48.2	61%	0.612	26%	0.258	S	S	*	.	S	Bend	trans	-126.8	155.1	-178.4	-61.5	0	0	0	0	110.1	F593 I597	F593-V595 VanDerWaalsContact C-N 3.28Å; F593-V595 PolarHBondContact O-N 3.13Å; V595-I597 HydrophobicContact CG2-CD1 4.35Å
596	D	96.7	Very high	96.3	Very high	57 Å²	57	45.6 Å²	45.6	31%	0.305	25%	0.248	S	C	.	.			trans	-69.3	141.5	171.5	-60.9	-21.7	0	0	0	109.6	N581 E582 R583	N581-D596 HydrophobicContact CB-CB 3.75Å; E582-D596 CarbonylContact O-C 3.53Å; E582-D596 WeakPolarHBondContact O-CA 3.47Å; R583-D596 IonicContact CZ-OD1 3.84Å; R583-D596 IonicContact NE-OD1 2.8Å; R583-D596 PolarHBondContact NE-OD1 2.86Å; R583-D596 IonicContact NH1-OD1 3.87Å; R583-D596 IonicContact NH2-OD1 2.77Å; R583-D596 PolarHBondContact NH2-OD1 3.34Å; R583-D596 VanDerWaalsContact NH2-OD1 3.14Å
597	I	97.5	Very high	96.3	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.3	-171.4	-56.9	-58.3	0	0	0	109.7	A350 I352 N581 E582 M584 F593 V595 F599	A350-I597 HydrophobicContact CB-CG2 4.5Å; I352-I597 HydrophobicContact CB-CD1 4.36Å; I352-I597 HydrophobicContact CB-CG2 3.87Å; I352-I597 HydrophobicContact CD1-CD1 3.55Å; I352-I597 HydrophobicContact CD1-CG1 3.89Å; I352-I597 HydrophobicContact CD1-CG2 4.41Å; I352-I597 HydrophobicContact CG1-CD1 3.87Å; I352-I597 HydrophobicContact CG1-CG2 4.5Å; I352-I597 HydrophobicContact CG2-CG2 4.47Å; N581-I597 CarbonylContact C-O 3.45Å; N581-I597 WeakPolarHBondContact CA-O 3.35Å; E582-I597 PolarHBondContact N-O 3.22Å; E582-I597 PolarHBondContact O-N 3.44Å; M584-I597 HydrophobicContact CB-CB 4.38Å; M584-I597 HydrophobicContact CB-CG1 3.97Å; M584-I597 HydrophobicContact CG-CB 3.97Å; M584-I597 HydrophobicContact CG-CG1 4.14Å; M584-I597 HydrophobicContact SD-CB 3.65Å; M584-I597 HydrophobicContact SD-CG1 4.08Å; M584-I597 HydrophobicContact SD-CG2 3.71Å; F593-I597 HydrophobicContact CD2-CG1 4.26Å; V595-I597 HydrophobicContact CG2-CD1 4.35Å; I597-F599 PolarHBondContact O-N 2.83Å
598	F	97.4	Very high	96.3	Very high	34 Å²	34	47 Å²	47	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	114	175.6	-173.5	-103.2	0	0	0	110.1	V351 M534 M538 Y579	V351-F598 HydrophobicContact CB-CB 4.31Å; V351-F598 HydrophobicContact CB-CD1 4.17Å; V351-F598 HydrophobicContact CG2-CD1 3.85Å; V351-F598 PolarHBondContact N-O 2.99Å; M534-F598 HydrophobicContact CB-CE1 4.37Å; M534-F598 HydrophobicContact CB-CZ 4.22Å; M534-F598 HydrophobicContact CG-CE1 4.44Å; M534-F598 WeakPolarHBondContact O-CZ 3.37Å; M538-F598 HydrophobicContact CG-CE2 3.76Å; M538-F598 HydrophobicContact CG-CZ 3.81Å; M538-F598 HydrophobicContact SD-CE2 4.32Å; Y579-F598 VanDerWaalsContact O-CE2 3.28Å; Y579-F598 WeakPolarHBondContact O-CE2 3.47Å
599	F	97	Very high	95.9	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.5	-168.3	-174	-109.9	0	0	0	110.3	I348 A350 A510 L514 P516 K541 G580 E582 M584 I597	I348-F599 HydrophobicContact CG2-CD2 4.23Å; I348-F599 HydrophobicContact CG2-CE1 3.77Å; I348-F599 HydrophobicContact CG2-CE2 3.39Å; I348-F599 HydrophobicContact CG2-CZ 3.13Å; A350-F599 HydrophobicContact CB-CD2 3.86Å; A350-F599 HydrophobicContact CB-CE2 4.32Å; A510-F599 HydrophobicContact CB-CE1 4.48Å; L514-F599 HydrophobicContact CB-CE1 4.16Å; L514-F599 HydrophobicContact CB-CZ 4.13Å; L514-F599 HydrophobicContact CD1-CE1 4.43Å; P516-F599 HydrophobicContact CB-CE2 3.88Å; P516-F599 HydrophobicContact CG-CE2 4.27Å; K541-F599 WeakPolarHBondContact CD-O 3.24Å; K541-F599 PolarHBondContact NZ-O 3.19Å; G580-F599 PolarHBondContact O-N 2.72Å; E582-F599 HydrophobicContact CB-CB 4.45Å; E582-F599 WeakPolarHBondContact OE1-CD1 3.4Å; M584-F599 HydrophobicContact CE-CD2 4.38Å; M584-F599 HydrophobicContact CE-CE2 4.27Å; M584-F599 HydrophobicContact SD-CD2 4.26Å; I597-F599 PolarHBondContact O-N 2.83Å
600	G	97.1	Very high	95.6	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-164	-177.5	0	0	0	0	0	113.6	I348 V349 S537	I348-G600 WeakPolarHBondContact CA-O 3.47Å; V349-G600 PolarHBondContact N-O 3.42Å; V349-G600 PolarHBondContact O-N 2.56Å; V349-G600 VanDerWaalsContact O-N 3.1Å; S537-G600 VanDerWaalsContact OG-CA 3.3Å; S537-G600 WeakPolarHBondContact OG-CA 3.39Å
601	V	97.7	Very high	95.3	Very high	18 Å²	18	41.3 Å²	41.3	11%	0.109	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	-173.1	-175.4	0	0	0	0	109.8	L327 N346 A347 S537	L327-V601 HydrophobicContact CD1-CG1 4.1Å; N346-V601 HydrophobicContact CB-CG1 3.85Å; A347-V601 WeakPolarHBondContact O-CA 3.29Å; S537-V601 WeakPolarHBondContact CA-O 3.42Å; S537-V601 PolarHBondContact O-N 3Å
602	V	97.6	Very high	94.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.5	-179.4	-179.4	0	0	0	0	109.9	A347 V349 M533 Y604	A347-V602 PolarHBondContact N-O 3.31Å; A347-V602 PolarHBondContact O-N 3.11Å; V349-V602 HydrophobicContact CB-CG2 4.41Å; V349-V602 HydrophobicContact CG2-CB 3.9Å; V349-V602 HydrophobicContact CG2-CG2 4.13Å; M533-V602 HydrophobicContact CE-CG1 4.35Å; M533-V602 HydrophobicContact CG-CG1 4.32Å; V602-Y604 HydrophobicContact CB-CD2 4.26Å; V602-Y604 HydrophobicContact CB-CE2 4.28Å; V602-Y604 HydrophobicContact CG1-CD2 4.06Å; V602-Y604 HydrophobicContact CG1-CE2 4.03Å; V602-Y604 PolarHBondContact O-N 2.88Å
603	Y	97.8	Very high	94.1	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.3	176.4	-166.8	-100	0	0	0	111.4	Q324 P326 L343 G344 N346 R491 E536 Q605	Q324-Y603 WeakPolarHBondContact O-CE2 3.45Å; Q324-Y603 PolarHBondContact O-OH 2.77Å; P326-Y603 HydrophobicContact CB-CD1 4.4Å; P326-Y603 HydrophobicContact CB-CD2 3.57Å; P326-Y603 HydrophobicContact CB-CE2 3.87Å; P326-Y603 HydrophobicContact CB-CG 3.83Å; P326-Y603 HydrophobicContact CG-CE2 4.41Å; L343-Y603 PolarHBondContact N-OH 3.11Å; G344-Y603 VanDerWaalsContact C-CZ 3.47Å; G344-Y603 WeakPolarHBondContact CA-OH 3.22Å; G344-Y603 PolarHBondContact N-OH 3.44Å; G344-Y603 PolarHBondContact O-OH 2.81Å; N346-Y603 WeakPolarHBondContact OD1-CD2 3.36Å; R491-Y603 HydrophobicContact CG-CD1 4.11Å; E536-Y603 WeakPolarHBondContact OE1-CB 3.42Å; E536-Y603 PolarHBondContact OE1-N 2.86Å; Y603-Q605 HydrophobicContact CD1-CG 4.36Å; Y603-Q605 HydrophobicContact CE1-CG 4.31Å
604	Y	97.1	Very high	93.5	Very high	2 Å²	2	38 Å²	38	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.7	-177.2	-103.1	-98.8	0	0	0	112.6	G344 T345 A347 V349 M363 F488 I518 M533 V602	G344-Y604 CarbonylContact C-O 3.57Å; G344-Y604 WeakPolarHBondContact CA-O 3.45Å; T345-Y604 PolarHBondContact N-O 3.02Å; T345-Y604 PolarHBondContact O-N 3.1Å; A347-Y604 HydrophobicContact CB-CD2 4.31Å; V349-Y604 HydrophobicContact CG2-CD2 4.23Å; V349-Y604 HydrophobicContact CG2-CE2 3.88Å; M363-Y604 HydrophobicContact CE-CE1 3.61Å; M363-Y604 HydrophobicContact SD-CE1 3.91Å; F488-Y604 HydrophobicContact CB-CD1 4.04Å; F488-Y604 HydrophobicContact CB-CE1 4.24Å; I518-Y604 HydrophobicContact CD1-CD1 3.59Å; I518-Y604 HydrophobicContact CD1-CD2 3.88Å; I518-Y604 HydrophobicContact CD1-CE1 3.78Å; I518-Y604 HydrophobicContact CD1-CE2 4.07Å; I518-Y604 HydrophobicContact CD1-CG 3.62Å; M533-Y604 HydrophobicContact CE-CE2 4.15Å; V602-Y604 HydrophobicContact CB-CD2 4.26Å; V602-Y604 HydrophobicContact CB-CE2 4.28Å; V602-Y604 HydrophobicContact CG1-CD2 4.06Å; V602-Y604 HydrophobicContact CG1-CE2 4.03Å; V602-Y604 PolarHBondContact O-N 2.88Å
605	Q	96.9	Very high	92.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.9	-178.8	-59.8	176	-24.4	0	0	110	Q294 T301 F488 A489 Y603	Q294-Q605 VanDerWaalsContact NE2-OE1 3.13Å; T301-Q605 HydrophobicContact CG2-CB 3.56Å; T301-Q605 HydrophobicContact CG2-CG 4.06Å; F488-Q605 CarbonylContact C-O 3.54Å; F488-Q605 WeakPolarHBondContact CA-O 3.3Å; A489-Q605 PolarHBondContact N-O 3.41Å; A489-Q605 PolarHBondContact O-N 3.15Å; Y603-Q605 HydrophobicContact CD1-CG 4.36Å; Y603-Q605 HydrophobicContact CE1-CG 4.31Å
606	R	96.4	Very high	92.5	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.2	175.8	-168.2	177.4	171.4	-164.1	-2.3	110.2	T301 M302 A375 R480 K481 D486 F488	T301-R606 CarbonylContact C-O 3.55Å; T301-R606 VanDerWaalsContact CA-O 3.3Å; T301-R606 WeakPolarHBondContact CA-O 3.42Å; M302-R606 HydrophobicContact CE-CB 4.1Å; M302-R606 HydrophobicContact CE-CG 3.41Å; M302-R606 VanDerWaalsContact CE-CG 3.41Å; M302-R606 VanDerWaalsContact CE-NE 3.32Å; M302-R606 PolarHBondContact N-O 3.21Å; A375-R606 HydrophobicContact CB-CB 4.48Å; A375-R606 VanDerWaalsContact O-CD 3.27Å; A375-R606 WeakPolarHBondContact O-CD 3.26Å; A375-R606 PolarHBondContact O-NH1 2.92Å; R480-R606 PolarHBondContact O-NH1 2.84Å; K481-R606 PolarHBondContact O-NH2 3.24Å; D486-R606 IonicContact OD2-CZ 2.75Å; D486-R606 IonicContact OD2-NE 3.17Å; D486-R606 IonicContact OD2-NH2 3.33Å; D486-R606 PolarHBondContact OD2-NH2 3.17Å; F488-R606 HydrophobicContact CD1-CB 3.98Å; F488-R606 HydrophobicContact CD1-CG 4.05Å; F488-R606 HydrophobicContact CE1-CB 3.72Å; F488-R606 HydrophobicContact CE1-CG 3.53Å; F488-R606 HydrophobicContact CE2-CG 4.39Å; F488-R606 HydrophobicContact CZ-CB 4.41Å; F488-R606 HydrophobicContact CZ-CG 3.72Å
607	L	96	Very high	92.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-89	148.4	-176.7	-56.2	-174.8	0	0	0	112.3	M297 T301 K487 A489 K495 H609	M297-L607 HydrophobicContact CB-CD2 4.35Å; M297-L607 HydrophobicContact SD-CD1 3.74Å; T301-L607 HydrophobicContact CG2-CD2 3.98Å; K487-L607 HydrophobicContact CB-CB 4.04Å; K487-L607 HydrophobicContact CB-CD1 3.98Å; K487-L607 HydrophobicContact CB-CG 4.3Å; K487-L607 WeakPolarHBondContact O-CB 3.3Å; K487-L607 PolarHBondContact O-N 3.3Å; A489-L607 HydrophobicContact CB-CD2 4.42Å; K495-L607 HydrophobicContact CD-CD1 3.97Å; K495-L607 HydrophobicContact CG-CD1 4.13Å; L607-H609 VanDerWaalsContact C-N 3.27Å; L607-H609 PolarHBondContact O-N 2.84Å
608	R	93.4	Very high	91.9	Very high	52 Å²	52	41.1 Å²	41.1	20%	0.196	20%	0.202	C	C	.	.	S	Bend	trans	-65.9	-20.9	-176.6	74.1	-179.5	-174.5	173.4	-2.1	115.4	Q300 M302 Y318 M610	Q300-R608 WeakPolarHBondContact O-CB 3.31Å; Q300-R608 WeakPolarHBondContact O-CG 3.42Å; Q300-R608 PolarHBondContact O-N 3.4Å; M302-R608 HydrophobicContact CG-CB 4.15Å; Y318-R608 HydrophobicContact CD1-CB 4.17Å; Y318-R608 HydrophobicContact CE1-CB 3.98Å; Y318-R608 HydrophobicContact CE2-CB 4.4Å; Y318-R608 HydrophobicContact CG-CB 4.44Å; R608-M610 PolarHBondContact O-N 3.36Å; R608-M610 VanDerWaalsContact O-N 3.11Å
609	H	87.7	Confident	91.6	Very high	65 Å²	65	44.4 Å²	44.4	30%	0.301	24%	0.235	S	C	.	.			trans	-83.3	86	-174.3	-64.2	152.1	0	0	0	110.5	Q300 L607	Q300-H609 PolarHBondContact OE1-CE1 3.16Å; L607-H609 VanDerWaalsContact C-N 3.27Å; L607-H609 PolarHBondContact O-N 2.84Å
610	M	87.5	Confident	91.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.272	C	S	.	.			trans	-85.8	160.4	-179.9	-54.7	163.1	-68.7	0	0	112.3	Y318 I379 R480 D486 R608 D613	Y318-M610 HydrophobicContact CE1-CE 4.34Å; I379-M610 HydrophobicContact CD1-CE 3.26Å; I379-M610 HydrophobicContact CD1-SD 4.11Å; R480-M610 HydrophobicContact CB-SD 4.13Å; R480-M610 VanDerWaalsContact CD-SD 3.6Å; R480-M610 HydrophobicContact CG-CE 4.48Å; R480-M610 HydrophobicContact CG-SD 3.75Å; D486-M610 VanDerWaalsContact OD1-CA 3.31Å; D486-M610 WeakPolarHBondContact OD1-CA 3.35Å; D486-M610 WeakPolarHBondContact OD1-CB 3.24Å; R608-M610 PolarHBondContact O-N 3.36Å; R608-M610 VanDerWaalsContact O-N 3.11Å; M610-D613 PolarHBondContact O-N 3.12Å
611	V	88	Confident	91	Very high	55 Å²	55	52.2 Å²	52.2	33%	0.333	29%	0.291	S	S	.	.	S	Bend	trans	-71.2	-36.6	178.9	177.1	0	0	0	0	112.8	G485 D486 D613 K614 F615	G485-V611 WeakPolarHBondContact O-CG2 3.26Å; D486-V611 PolarHBondContact OD1-N 3.01Å; V611-D613 PolarHBondContact O-N 3Å; V611-D613 VanDerWaalsContact O-N 3.11Å; V611-K614 PolarHBondContact O-N 3.29Å; V611-F615 PolarHBondContact O-N 2.91Å; V611-F615 VanDerWaalsContact O-N 3.15Å
612	S	83.8	Confident	90.7	Very high	25 Å²	25	54 Å²	54	18%	0.175	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.9	175.5	57.4	0	0	0	0	112	R480 K614 F615 R634	R480-S612 PolarHBondContact NH1-OG 2.77Å; S612-K614 VanDerWaalsContact C-N 3.28Å; S612-K614 PolarHBondContact O-N 3.17Å; S612-F615 WeakPolarHBondContact O-CD1 3.26Å; S612-F615 WeakPolarHBondContact O-CE1 3.39Å; S612-R634 VanDerWaalsContact O-CZ 3.31Å; S612-R634 PolarHBondContact O-NH1 3.39Å; S612-R634 PolarHBondContact O-NH2 3.44Å
613	D	82.5	Confident	90.6	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.5	-177.9	-68.7	23.2	0	0	0	112.2	K316 R480 M610 V611 R634	K316-D613 IonicContact NZ-OD2 3.72Å; K316-D613 PolarHBondContact NZ-OD2 2.7Å; R480-D613 IonicContact CZ-OD1 2.97Å; R480-D613 IonicContact NH1-OD1 2.77Å; R480-D613 IonicContact NH2-OD1 3.03Å; R480-D613 PolarHBondContact NH2-OD1 3.48Å; M610-D613 PolarHBondContact O-N 3.12Å; V611-D613 PolarHBondContact O-N 3Å; V611-D613 VanDerWaalsContact O-N 3.11Å; D613-R634 VanDerWaalsContact CA-NH1 3.27Å; D613-R634 PolarHBondContact O-NH1 3.23Å
614	K	83.9	Confident	90.4	Very high	127 Å²	127	60.2 Å²	60.2	55%	0.552	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-32.8	-176.4	-67	-170	175	-157.6	0	116.7	V611 S612 Q616	V611-K614 PolarHBondContact O-N 3.29Å; S612-K614 VanDerWaalsContact C-N 3.28Å; S612-K614 PolarHBondContact O-N 3.17Å; K614-Q616 PolarHBondContact O-N 3.18Å
615	F	83.2	Confident	90.2	Very high	128 Å²	128	64.8 Å²	64.8	56%	0.561	37%	0.37	S	S	*	.			trans	-63	139.1	-173.4	80.5	-85.9	0	0	0	112	V611 S612 R634	V611-F615 PolarHBondContact O-N 2.91Å; V611-F615 VanDerWaalsContact O-N 3.15Å; S612-F615 WeakPolarHBondContact O-CD1 3.26Å; S612-F615 WeakPolarHBondContact O-CE1 3.39Å; F615-R634 WeakPolarHBondContact O-CD 3.4Å; F615-R634 PolarHBondContact O-NE 2.78Å; F615-R634 PolarHBondContact O-NH2 2.85Å
616	Q	87.9	Confident	90	Very high	94 Å²	94	69.5 Å²	69.5	44%	0.439	39%	0.394	S	S	.	.			trans	-141.5	143.3	176.7	66.6	-177.7	5	0	0	110.4	K614 R634	K614-Q616 PolarHBondContact O-N 3.18Å; Q616-R634 HydrophobicContact CB-CG 4.02Å
617	V	90.3	Very high	89.9	Confident	131 Å²	131	70.8 Å²	70.8	79%	0.794	40%	0.403	S	S	*	.			trans	-143.9	140.5	177.6	62.4	0	0	0	0	108.7
618	R	89.7	Confident	89.8	Confident	56 Å²	56	75.4 Å²	75.4	21%	0.211	42%	0.422	C	S	.	.			trans	-148.4	127.8	176.1	179	-169	172.5	129.2	-4.7	109	G621 A622 P630 G637 G639	R618-G621 PolarHBondContact NH2-O 3.49Å; R618-A622 PolarHBondContact NH1-O 3.15Å; R618-A622 VanDerWaalsContact NH1-O 3.09Å; R618-A622 PolarHBondContact NH2-O 3.01Å; R618-P630 VanDerWaalsContact CZ-CB 3.4Å; R618-G637 WeakPolarHBondContact CD-O 3.38Å; R618-G637 PolarHBondContact NH1-O 3.5Å; R618-G639 VanDerWaalsContact CD-CA 3.43Å
619	A	91.4	Very high	89.8	Confident	102 Å²	102	76.1 Å²	76.1	84%	0.843	43%	0.428	S	S	*	.	S	Bend	trans	-96.4	-65.8	164.4	0	0	0	0	0	109.2
620	T	91.3	Very high	90.2	Very high	132 Å²	132	75.1 Å²	75.1	81%	0.81	43%	0.427	S	S	*	.	S	Bend	trans	-125.2	168.8	171.1	59.8	0	0	0	0	109.4
621	G	91.2	Very high	90.6	Very high	41 Å²	41	76.5 Å²	76.5	42%	0.423	44%	0.436	S	S	.	.			trans	172.2	-169.2	179	0	0	0	0	0	112.9	R618 I623	R618-G621 PolarHBondContact NH2-O 3.49Å; G621-I623 PolarHBondContact O-N 3.26Å
622	A	92	Very high	90.7	Very high	54 Å²	54	82.7 Å²	82.7	45%	0.446	46%	0.461	S	S	.	.			trans	-55.7	141.4	178.1	0	0	0	0	0	111.4	R618 V631	R618-A622 PolarHBondContact NH1-O 3.15Å; R618-A622 VanDerWaalsContact NH1-O 3.09Å; R618-A622 PolarHBondContact NH2-O 3.01Å; A622-V631 HydrophobicContact CB-CG1 4.23Å; A622-V631 HydrophobicContact CB-CG2 3.92Å; A622-V631 PolarHBondContact O-N 3.32Å
623	I	93.8	Very high	90.9	Very high	82 Å²	82	83.1 Å²	83.1	42%	0.421	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-117.5	151.3	176.6	59.5	175.3	0	0	0	109.6	G621 K628 Q629 V631	G621-I623 PolarHBondContact O-N 3.26Å; I623-K628 HydrophobicContact CD1-CB 4.37Å; I623-K628 HydrophobicContact CD1-CD 3.83Å; I623-Q629 CarbonylContact C-O 3.57Å; I623-Q629 VanDerWaalsContact CA-O 3.23Å; I623-Q629 WeakPolarHBondContact CA-O 3.23Å; I623-V631 VanDerWaalsContact C-CG1 3.48Å
624	D	94.2	Very high	90.9	Very high	55 Å²	55	84.4 Å²	84.4	29%	0.294	47%	0.471	S	S	.	.			trans	-67.3	132.8	170.3	-175.5	-90.8	0	0	0	109.6	I626 T627 K628 Q629	D624-I626 VanDerWaalsContact C-N 3.27Å; D624-I626 PolarHBondContact O-N 3.5Å; D624-I626 WeakPolarHBondContact OD1-CA 2.91Å; D624-I626 VanDerWaalsContact OD1-CB 3.3Å; D624-I626 WeakPolarHBondContact OD1-CB 3.38Å; D624-I626 PolarHBondContact OD1-N 2.91Å; D624-T627 PolarHBondContact OD1-N 3.02Å; D624-K628 WeakPolarHBondContact O-CA 3.04Å; D624-K628 PolarHBondContact O-N 3.42Å; D624-Q629 PolarHBondContact N-O 3.25Å
625	P	92.7	Very high	90.8	Very high	98 Å²	98	88 Å²	88	64%	0.636	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.2	-176.6	24.9	-33.4	0	0	0	113.5
626	I	93.4	Very high	90.8	Very high	102 Å²	102	89.5 Å²	89.5	52%	0.523	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-57.4	-177	-57.8	173.2	0	0	0	109.4	D624 Y731	D624-I626 VanDerWaalsContact C-N 3.27Å; D624-I626 PolarHBondContact O-N 3.5Å; D624-I626 WeakPolarHBondContact OD1-CA 2.91Å; D624-I626 VanDerWaalsContact OD1-CB 3.3Å; D624-I626 WeakPolarHBondContact OD1-CB 3.38Å; D624-I626 PolarHBondContact OD1-N 2.91Å; I626-Y731 HydrophobicContact CG2-CD1 4.11Å; I626-Y731 HydrophobicContact CG2-CD2 3.72Å; I626-Y731 HydrophobicContact CG2-CE1 4.12Å; I626-Y731 HydrophobicContact CG2-CE2 3.76Å; I626-Y731 HydrophobicContact CG2-CG 3.93Å
627	T	94.4	Very high	90.6	Very high	31 Å²	31	86.6 Å²	86.6	19%	0.19	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-14.9	-173.8	64.9	0	0	0	0	113.5	D624 Q629 V728	D624-T627 PolarHBondContact OD1-N 3.02Å; T627-Q629 PolarHBondContact O-N 3.01Å; T627-Q629 VanDerWaalsContact O-N 3.13Å; T627-Q629 WeakPolarHBondContact OG1-CB 3.34Å; T627-Q629 PolarHBondContact OG1-N 2.92Å; T627-V728 HydrophobicContact CG2-CG2 4.48Å
628	K	92.8	Very high	90.5	Very high	100 Å²	100	80.6 Å²	80.6	44%	0.435	45%	0.453	S	S	.	.			trans	59.4	10.3	-168.7	-54.7	-65.6	-177.2	-178.3	0	114.4	I623 D624 A727	I623-K628 HydrophobicContact CD1-CB 4.37Å; I623-K628 HydrophobicContact CD1-CD 3.83Å; D624-K628 WeakPolarHBondContact O-CA 3.04Å; D624-K628 PolarHBondContact O-N 3.42Å; K628-A727 HydrophobicContact CB-CB 3.65Å; K628-A727 HydrophobicContact CG-CB 3.69Å
629	Q	95.1	Very high	90.6	Very high	67 Å²	67	79 Å²	79	31%	0.313	45%	0.453	S	S	.	.	S	Bend	trans	-83.6	159.3	179.1	-68.1	176.4	-4.2	0	0	111.9	I623 D624 T627 V631 D668	I623-Q629 CarbonylContact C-O 3.57Å; I623-Q629 VanDerWaalsContact CA-O 3.23Å; I623-Q629 WeakPolarHBondContact CA-O 3.23Å; D624-Q629 PolarHBondContact N-O 3.25Å; T627-Q629 PolarHBondContact O-N 3.01Å; T627-Q629 VanDerWaalsContact O-N 3.13Å; T627-Q629 WeakPolarHBondContact OG1-CB 3.34Å; T627-Q629 PolarHBondContact OG1-N 2.92Å; Q629-V631 PolarHBondContact O-N 3.09Å; Q629-D668 HydrophobicContact CG-CB 3.68Å; Q629-D668 PolarHBondContact NE2-OD2 3.31Å
630	P	95.5	Very high	90.7	Very high	45 Å²	45	80.1 Å²	80.1	29%	0.292	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-47.9	126.6	169.6	-33.4	39.7	0	0	0	114.4	R618	R618-P630 VanDerWaalsContact CZ-CB 3.4Å
631	V	94.8	Very high	90.8	Very high	30 Å²	30	84.4 Å²	84.4	18%	0.182	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-62.2	155.5	176.5	-61.9	0	0	0	0	112.7	A622 I623 Q629 K636 G638 G639	A622-V631 HydrophobicContact CB-CG1 4.23Å; A622-V631 HydrophobicContact CB-CG2 3.92Å; A622-V631 PolarHBondContact O-N 3.32Å; I623-V631 VanDerWaalsContact C-CG1 3.48Å; Q629-V631 PolarHBondContact O-N 3.09Å; V631-K636 HydrophobicContact CG2-CB 4.19Å; V631-G638 CarbonylContact O-C 3.53Å; V631-G638 WeakPolarHBondContact O-CA 3.43Å; V631-G639 PolarHBondContact O-N 2.81Å
632	Q	91.3	Very high	91	Very high	185 Å²	185	85.6 Å²	85.6	86%	0.864	44%	0.439	S	S	*	.	S	Bend	trans	-81.1	140.6	173.2	-168.9	-179.3	6.6	0	0	112.1
633	G	87	Confident	91.1	Very high	35 Å²	35	83.8 Å²	83.8	36%	0.361	43%	0.425	S	S	.	.			trans	110.9	127.2	162.7	0	0	0	0	0	114.8	K635 K636 G638	G633-K635 PolarHBondContact O-N 3.39Å; G633-K636 PolarHBondContact O-N 3.07Å; G633-G638 WeakPolarHBondContact O-CA 3.3Å; G633-G638 PolarHBondContact O-N 3.37Å
634	R	83.2	Confident	91.3	Very high	78 Å²	78	86 Å²	86	29%	0.294	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-51.5	-47	-178	179.9	-174.7	167.5	-167.5	7.3	113.7	S612 D613 F615 Q616 K636 G637	S612-R634 VanDerWaalsContact O-CZ 3.31Å; S612-R634 PolarHBondContact O-NH1 3.39Å; S612-R634 PolarHBondContact O-NH2 3.44Å; D613-R634 VanDerWaalsContact CA-NH1 3.27Å; D613-R634 PolarHBondContact O-NH1 3.23Å; F615-R634 WeakPolarHBondContact O-CD 3.4Å; F615-R634 PolarHBondContact O-NE 2.78Å; F615-R634 PolarHBondContact O-NH2 2.85Å; Q616-R634 HydrophobicContact CB-CG 4.02Å; R634-K636 PolarHBondContact O-N 2.9Å; R634-K636 VanDerWaalsContact O-N 3.15Å; R634-G637 PolarHBondContact O-N 2.78Å
635	K	81.1	Confident	91.5	Very high	202 Å²	202	90.3 Å²	90.3	88%	0.878	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.5	-178.4	-71.1	-175.1	-179.8	174	0	114	G633	G633-K635 PolarHBondContact O-N 3.39Å
636	K	84.1	Confident	91.7	Very high	160 Å²	160	89.4 Å²	89.4	70%	0.696	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-98.5	8.8	177.6	-63.7	-175.8	177.5	-178.7	0	112.3	V631 G633 R634 G638	V631-K636 HydrophobicContact CG2-CB 4.19Å; G633-K636 PolarHBondContact O-N 3.07Å; R634-K636 PolarHBondContact O-N 2.9Å; R634-K636 VanDerWaalsContact O-N 3.15Å; K636-G638 VanDerWaalsContact C-N 3.27Å; K636-G638 PolarHBondContact O-N 3.49Å
637	G	83.2	Confident	91.8	Very high	33 Å²	33	88.8 Å²	88.8	34%	0.34	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	35.6	-169.4	0	0	0	0	0	111.9	R618 R634	R618-G637 WeakPolarHBondContact CD-O 3.38Å; R618-G637 PolarHBondContact NH1-O 3.5Å; R634-G637 PolarHBondContact O-N 2.78Å
638	G	89	Confident	92	Very high	5 Å²	5	91 Å²	91	5%	0.052	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-65.3	154.9	-177	0	0	0	0	0	113.6	V631 G633 K636	V631-G638 CarbonylContact O-C 3.53Å; V631-G638 WeakPolarHBondContact O-CA 3.43Å; G633-G638 WeakPolarHBondContact O-CA 3.3Å; G633-G638 PolarHBondContact O-N 3.37Å; K636-G638 VanDerWaalsContact C-N 3.27Å; K636-G638 PolarHBondContact O-N 3.49Å
639	G	90.3	Very high	92.2	Very high	22 Å²	22	89.3 Å²	89.3	23%	0.227	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-76	162.6	179.5	0	0	0	0	0	113.7	R618 V631	R618-G639 VanDerWaalsContact CD-CA 3.43Å; V631-G639 PolarHBondContact O-N 2.81Å
640	I	94.4	Very high	92.3	Very high	126 Å²	126	87 Å²	87	65%	0.646	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-82.7	132.6	167.3	-57.2	-173.5	0	0	0	107.7	F642	I640-F642 PolarHBondContact O-N 2.88Å
641	R	94.1	Very high	92.4	Very high	221 Å²	221	89.2 Å²	89.2	83%	0.834	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-72.8	124.2	177.5	-173.7	178.6	-172.1	178.7	1.6	109.5
642	F	94.9	Very high	92.5	Very high	67 Å²	67	92.2 Å²	92.2	29%	0.294	47%	0.465	S	S	.	.			trans	-96.7	105.3	162.9	-168.4	-83.4	0	0	0	107	I640 E646 R647 V650 L659 R662 L663	I640-F642 PolarHBondContact O-N 2.88Å; F642-E646 HydrophobicContact CD1-CB 4.08Å; F642-E646 HydrophobicContact CD2-CB 3.94Å; F642-E646 HydrophobicContact CE1-CB 3.85Å; F642-E646 HydrophobicContact CE2-CB 3.68Å; F642-E646 HydrophobicContact CG-CB 4.14Å; F642-E646 HydrophobicContact CZ-CB 3.62Å; F642-E646 WeakPolarHBondContact CZ-O 3.42Å; F642-R647 HydrophobicContact CE1-CB 4.19Å; F642-V650 HydrophobicContact CE2-CG2 4.33Å; F642-V650 HydrophobicContact CZ-CB 4.48Å; F642-V650 HydrophobicContact CZ-CG2 3.79Å; F642-L659 HydrophobicContact CE1-CD1 4.41Å; F642-R662 HydrophobicContact CD2-CB 4.28Å; F642-R662 HydrophobicContact CE2-CB 4.33Å; F642-R662 HydrophobicContact CE2-CG 4.38Å; F642-L663 HydrophobicContact CD1-CD2 3.64Å; F642-L663 HydrophobicContact CD1-CG 4.2Å; F642-L663 HydrophobicContact CE1-CD2 4.18Å; F642-L663 HydrophobicContact CE1-CG 4.29Å
643	G	95.1	Very high	92.8	Very high	15 Å²	15	90.7 Å²	90.7	16%	0.155	46%	0.457	C	S	.	.			trans	-93.7	-166.8	-170.4	0	0	0	0	0	113.3	E646 R647	G643-E646 VanDerWaalsContact C-OE2 3.24Å; G643-E646 WeakPolarHBondContact CA-OE2 3.36Å; G643-E646 PolarHBondContact N-OE2 2.88Å; G643-R647 PolarHBondContact O-N 3.03Å; G643-R647 VanDerWaalsContact O-N 3.12Å
644	E	97.5	Very high	93.2	Very high	130 Å²	130	91.6 Å²	91.6	61%	0.607	47%	0.467	S	S	*	.	H	α-helix	trans	-70.2	-41.9	-178.4	-173.4	162.8	-156	0	0	112.3	E646 R647 D648	E644-E646 VanDerWaalsContact C-N 3.3Å; E644-E646 PolarHBondContact O-N 3.36Å; E644-R647 VanDerWaalsContact CG-NH2 3.34Å; E644-R647 WeakPolarHBondContact O-CB 3.47Å; E644-R647 PolarHBondContact O-N 2.82Å; E644-R647 IonicContact OE1-CZ 3.5Å; E644-R647 IonicContact OE1-NH1 3.56Å; E644-R647 IonicContact OE1-NH2 3.5Å; E644-R647 PolarHBondContact OE1-NH2 3.19Å; E644-D648 PolarHBondContact O-N 3.06Å
645	M	97.4	Very high	93.9	Very high	144 Å²	144	89.6 Å²	89.6	71%	0.709	47%	0.467	S	S	*	.	H	α-helix	trans	-64	-37.4	177.9	-63.2	-173.6	-62.9	0	0	111.7	D648 S649	M645-D648 PolarHBondContact O-N 3.29Å; M645-S649 WeakPolarHBondContact O-CB 3.47Å; M645-S649 PolarHBondContact O-N 3.13Å; M645-S649 PolarHBondContact O-OG 3.38Å
646	E	96.7	Very high	94.6	Very high	79 Å²	79	84 Å²	84	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-69.2	-38	176.2	-63.4	77.2	-167	0	0	111.7	F642 G643 E644 S649 V650	F642-E646 HydrophobicContact CD1-CB 4.08Å; F642-E646 HydrophobicContact CD2-CB 3.94Å; F642-E646 HydrophobicContact CE1-CB 3.85Å; F642-E646 HydrophobicContact CE2-CB 3.68Å; F642-E646 HydrophobicContact CG-CB 4.14Å; F642-E646 HydrophobicContact CZ-CB 3.62Å; F642-E646 WeakPolarHBondContact CZ-O 3.42Å; G643-E646 VanDerWaalsContact C-OE2 3.24Å; G643-E646 WeakPolarHBondContact CA-OE2 3.36Å; G643-E646 PolarHBondContact N-OE2 2.88Å; E644-E646 VanDerWaalsContact C-N 3.3Å; E644-E646 PolarHBondContact O-N 3.36Å; E646-S649 PolarHBondContact O-N 3.23Å; E646-V650 WeakPolarHBondContact O-CG2 3.33Å; E646-V650 PolarHBondContact O-N 3.43Å
647	R	97.1	Very high	95.2	Very high	90 Å²	90	85.4 Å²	85.4	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-56.2	-52.9	172.4	178.7	-157.4	69.3	-162.7	-6.7	110.6	F642 G643 E644 S649 V650 I651 L659 L663	F642-R647 HydrophobicContact CE1-CB 4.19Å; G643-R647 PolarHBondContact O-N 3.03Å; G643-R647 VanDerWaalsContact O-N 3.12Å; E644-R647 VanDerWaalsContact CG-NH2 3.34Å; E644-R647 WeakPolarHBondContact O-CB 3.47Å; E644-R647 PolarHBondContact O-N 2.82Å; E644-R647 IonicContact OE1-CZ 3.5Å; E644-R647 IonicContact OE1-NH1 3.56Å; E644-R647 IonicContact OE1-NH2 3.5Å; E644-R647 PolarHBondContact OE1-NH2 3.19Å; R647-S649 VanDerWaalsContact C-N 3.29Å; R647-S649 PolarHBondContact O-N 3.5Å; R647-V650 PolarHBondContact O-N 3.02Å; R647-I651 HydrophobicContact CG-CD1 3.8Å; R647-I651 WeakPolarHBondContact O-CG1 3.39Å; R647-I651 PolarHBondContact O-N 3.21Å; R647-L659 HydrophobicContact CB-CD1 4.45Å; R647-L659 HydrophobicContact CG-CD1 3.94Å; R647-L663 HydrophobicContact CG-CD1 4.16Å
648	D	97.8	Very high	95.9	Very high	76 Å²	76	88.1 Å²	88.1	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-37.8	-175.6	-63.5	-14.9	0	0	0	111.4	E644 M645 I651 S652	E644-D648 PolarHBondContact O-N 3.06Å; M645-D648 PolarHBondContact O-N 3.29Å; D648-I651 PolarHBondContact O-N 3.31Å; D648-S652 PolarHBondContact O-N 2.98Å
649	S	97	Very high	96.2	Very high	65 Å²	65	89.5 Å²	89.5	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-47.2	174.2	-57.5	0	0	0	0	111.7	M645 E646 R647 I651 S652 H653	M645-S649 WeakPolarHBondContact O-CB 3.47Å; M645-S649 PolarHBondContact O-N 3.13Å; M645-S649 PolarHBondContact O-OG 3.38Å; E646-S649 PolarHBondContact O-N 3.23Å; R647-S649 VanDerWaalsContact C-N 3.29Å; R647-S649 PolarHBondContact O-N 3.5Å; S649-I651 PolarHBondContact O-N 2.65Å; S649-S652 PolarHBondContact O-N 3.3Å; S649-S652 PolarHBondContact O-OG 2.92Å; S649-H653 PolarHBondContact O-CD2 3.29Å; S649-H653 PolarHBondContact O-N 3.36Å
650	V	96.6	Very high	96.5	Very high	19 Å²	19	93.4 Å²	93.4	12%	0.115	48%	0.484	C	S	.	.	H	α-helix	trans	-69.2	-35.7	-179.4	175.3	0	0	0	0	112.2	F642 E646 R647 S652 H653 A655 L658 L659	F642-V650 HydrophobicContact CE2-CG2 4.33Å; F642-V650 HydrophobicContact CZ-CB 4.48Å; F642-V650 HydrophobicContact CZ-CG2 3.79Å; E646-V650 WeakPolarHBondContact O-CG2 3.33Å; E646-V650 PolarHBondContact O-N 3.43Å; R647-V650 PolarHBondContact O-N 3.02Å; V650-S652 VanDerWaalsContact C-N 3.32Å; V650-H653 PolarHBondContact O-N 3.2Å; V650-A655 HydrophobicContact CG1-CB 4.01Å; V650-A655 PolarHBondContact O-N 3.25Å; V650-L658 HydrophobicContact CG1-CB 4.3Å; V650-L658 HydrophobicContact CG1-CD2 3.83Å; V650-L658 HydrophobicContact CG2-CD2 3.89Å; V650-L659 HydrophobicContact CB-CD1 4.33Å; V650-L659 HydrophobicContact CG1-CB 3.85Å; V650-L659 HydrophobicContact CG1-CD1 4.26Å
651	I	97.3	Very high	96.6	Very high	91 Å²	91	89.6 Å²	89.6	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-60.8	-43.4	172.1	-68.3	168.9	0	0	0	110.4	R647 D648 S649 H653 G654 L659	R647-I651 HydrophobicContact CG-CD1 3.8Å; R647-I651 WeakPolarHBondContact O-CG1 3.39Å; R647-I651 PolarHBondContact O-N 3.21Å; D648-I651 PolarHBondContact O-N 3.31Å; S649-I651 PolarHBondContact O-N 2.65Å; I651-H653 PolarHBondContact O-N 3.12Å; I651-G654 PolarHBondContact O-N 2.84Å; I651-L659 HydrophobicContact CD1-CD2 4.16Å; I651-L659 HydrophobicContact CG1-CD2 3.63Å
652	S	97.3	Very high	96.7	Very high	93 Å²	93	84.7 Å²	84.7	65%	0.65	45%	0.447	S	S	*	.	H	α-helix	trans	-61.1	-29.8	179.6	79.8	0	0	0	0	113.5	D648 S649 V650 G654	D648-S652 PolarHBondContact O-N 2.98Å; S649-S652 PolarHBondContact O-N 3.3Å; S649-S652 PolarHBondContact O-OG 2.92Å; V650-S652 VanDerWaalsContact C-N 3.32Å; S652-G654 VanDerWaalsContact C-N 3.27Å; S652-G654 PolarHBondContact O-N 2.94Å
653	H	97	Very high	96.8	Very high	153 Å²	153	84.9 Å²	84.9	71%	0.708	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.5	174	-74	-64.1	0	0	0	113.9	S649 V650 I651 A655	S649-H653 PolarHBondContact O-CD2 3.29Å; S649-H653 PolarHBondContact O-N 3.36Å; V650-H653 PolarHBondContact O-N 3.2Å; I651-H653 PolarHBondContact O-N 3.12Å; H653-A655 HydrophobicContact CB-CB 4.28Å; H653-A655 PolarHBondContact O-N 3.4Å
654	G	96.5	Very high	96.8	Very high	55 Å²	55	85 Å²	85	57%	0.567	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	16.3	-172.8	0	0	0	0	0	113.6	I651 S652 S656	I651-G654 PolarHBondContact O-N 2.84Å; S652-G654 VanDerWaalsContact C-N 3.27Å; S652-G654 PolarHBondContact O-N 2.94Å; G654-S656 VanDerWaalsContact C-N 3.25Å; G654-S656 PolarHBondContact O-N 3.21Å
655	A	96.8	Very high	96.7	Very high	35 Å²	35	82 Å²	82	29%	0.289	44%	0.436	S	S	.	.			trans	-85.2	59.7	-173.4	0	0	0	0	0	112.1	V650 H653 F657 L658 L659	V650-A655 HydrophobicContact CG1-CB 4.01Å; V650-A655 PolarHBondContact O-N 3.25Å; H653-A655 HydrophobicContact CB-CB 4.28Å; H653-A655 PolarHBondContact O-N 3.4Å; A655-F657 VanDerWaalsContact C-N 3.28Å; A655-F657 PolarHBondContact O-N 3.03Å; A655-L658 HydrophobicContact CB-CB 4.13Å; A655-L658 WeakPolarHBondContact O-CB 3.4Å; A655-L658 PolarHBondContact O-N 3.36Å; A655-L659 PolarHBondContact O-N 3.2Å
656	S	96.7	Very high	96.5	Very high	86 Å²	86	78.3 Å²	78.3	60%	0.601	42%	0.423	S	S	*	.	H	α-helix	trans	-56.4	-36.6	-174.4	-55.3	0	0	0	0	113.7	G654 L659 Q660	G654-S656 VanDerWaalsContact C-N 3.25Å; G654-S656 PolarHBondContact O-N 3.21Å; S656-L659 PolarHBondContact O-N 3.05Å; S656-Q660 WeakPolarHBondContact O-CB 3.36Å; S656-Q660 PolarHBondContact O-N 2.9Å
657	F	97.3	Very high	96.4	Very high	189 Å²	189	76.2 Å²	76.2	83%	0.829	42%	0.418	S	S	*	.	H	α-helix	trans	-67.7	-38.1	177.2	-69.1	-71.2	0	0	0	112.6	A655 D661	A655-F657 VanDerWaalsContact C-N 3.28Å; A655-F657 PolarHBondContact O-N 3.03Å; F657-D661 VanDerWaalsContact O-CB 3.22Å; F657-D661 WeakPolarHBondContact O-CB 3.39Å; F657-D661 PolarHBondContact O-N 3.37Å
658	L	97.1	Very high	96.3	Very high	89 Å²	89	72.3 Å²	72.3	47%	0.466	40%	0.403	S	S	.	.	H	α-helix	trans	-68	-41.3	176.6	-167.6	154	0	0	0	110.1	V650 A655 D661 R662	V650-L658 HydrophobicContact CG1-CB 4.3Å; V650-L658 HydrophobicContact CG1-CD2 3.83Å; V650-L658 HydrophobicContact CG2-CD2 3.89Å; A655-L658 HydrophobicContact CB-CB 4.13Å; A655-L658 WeakPolarHBondContact O-CB 3.4Å; A655-L658 PolarHBondContact O-N 3.36Å; L658-D661 PolarHBondContact O-N 3.23Å; L658-R662 HydrophobicContact CD2-CG 3.87Å; L658-R662 WeakPolarHBondContact O-CG 3.04Å; L658-R662 PolarHBondContact O-N 3.38Å
659	L	96.4	Very high	96.2	Very high	35 Å²	35	72.6 Å²	72.6	18%	0.183	40%	0.401	C	S	.	.	H	α-helix	trans	-59	-50.9	175.3	-172.5	67.5	0	0	0	111.6	F642 R647 V650 I651 A655 S656 D661 R662 L663	F642-L659 HydrophobicContact CE1-CD1 4.41Å; R647-L659 HydrophobicContact CB-CD1 4.45Å; R647-L659 HydrophobicContact CG-CD1 3.94Å; V650-L659 HydrophobicContact CB-CD1 4.33Å; V650-L659 HydrophobicContact CG1-CB 3.85Å; V650-L659 HydrophobicContact CG1-CD1 4.26Å; I651-L659 HydrophobicContact CD1-CD2 4.16Å; I651-L659 HydrophobicContact CG1-CD2 3.63Å; A655-L659 PolarHBondContact O-N 3.2Å; S656-L659 PolarHBondContact O-N 3.05Å; L659-D661 VanDerWaalsContact C-N 3.27Å; L659-D661 PolarHBondContact O-N 3.43Å; L659-R662 PolarHBondContact O-N 3.14Å; L659-L663 HydrophobicContact CD1-CD1 3.53Å; L659-L663 HydrophobicContact CD1-CG 4.22Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 WeakPolarHBondContact O-CB 3.46Å; L659-L663 PolarHBondContact O-N 2.58Å
660	Q	96.5	Very high	96	Very high	103 Å²	103	71.8 Å²	71.8	48%	0.481	39%	0.391	S	S	.	.	H	α-helix	trans	-60.4	-39.3	177.1	-174.3	70	-9.3	0	0	111.5	S656 L664 N665	S656-Q660 WeakPolarHBondContact O-CB 3.36Å; S656-Q660 PolarHBondContact O-N 2.9Å; Q660-L664 WeakPolarHBondContact O-CA 3.11Å; Q660-L664 VanDerWaalsContact O-CB 3.29Å; Q660-L664 WeakPolarHBondContact O-CB 3.47Å; Q660-L664 PolarHBondContact O-N 3.47Å; Q660-N665 PolarHBondContact O-N 3.18Å
661	D	96.6	Very high	95.7	Very high	47 Å²	47	76.4 Å²	76.4	25%	0.251	41%	0.408	S	S	.	.	I	π-helix	trans	-65.8	-46.5	179.2	-176.7	62.5	0	0	0	112.5	F657 L658 L659 N665 C666	F657-D661 VanDerWaalsContact O-CB 3.22Å; F657-D661 WeakPolarHBondContact O-CB 3.39Å; F657-D661 PolarHBondContact O-N 3.37Å; L658-D661 PolarHBondContact O-N 3.23Å; L659-D661 VanDerWaalsContact C-N 3.27Å; L659-D661 PolarHBondContact O-N 3.43Å; D661-N665 PolarHBondContact O-N 2.96Å; D661-N665 WeakPolarHBondContact OD1-CB 3.45Å; D661-C666 WeakPolarHBondContact O-CB 3.37Å; D661-C666 PolarHBondContact O-N 3.29Å
662	R	95.6	Very high	95.3	Very high	118 Å²	118	72.4 Å²	72.4	45%	0.445	39%	0.388	S	S	.	.	I	π-helix	trans	-74.1	-40.4	-177.7	-65.7	-61.3	103.9	174.8	7.6	113.3	F642 L658 L659 C666	F642-R662 HydrophobicContact CD2-CB 4.28Å; F642-R662 HydrophobicContact CE2-CB 4.33Å; F642-R662 HydrophobicContact CE2-CG 4.38Å; L658-R662 HydrophobicContact CD2-CG 3.87Å; L658-R662 WeakPolarHBondContact O-CG 3.04Å; L658-R662 PolarHBondContact O-N 3.38Å; L659-R662 PolarHBondContact O-N 3.14Å; R662-C666 PolarHBondContact NH2-SG 3.37Å
663	L	96	Very high	94.8	Very high	70 Å²	70	69.4 Å²	69.4	37%	0.366	36%	0.363	S	S	.	.	I	π-helix	trans	-88.2	-24.3	-175.7	-69.7	-179.7	0	0	0	114.2	F642 R647 L659	F642-L663 HydrophobicContact CD1-CD2 3.64Å; F642-L663 HydrophobicContact CD1-CG 4.2Å; F642-L663 HydrophobicContact CE1-CD2 4.18Å; F642-L663 HydrophobicContact CE1-CG 4.29Å; R647-L663 HydrophobicContact CG-CD1 4.16Å; L659-L663 HydrophobicContact CD1-CD1 3.53Å; L659-L663 HydrophobicContact CD1-CG 4.22Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 WeakPolarHBondContact O-CB 3.46Å; L659-L663 PolarHBondContact O-N 2.58Å
664	L	95	Very high	94.4	Very high	18 Å²	18	62.4 Å²	62.4	9%	0.094	33%	0.331	C	S	.	.	I	π-helix	trans	-114.8	-66.9	177.8	-177.2	68.8	0	0	0	111.6	Q660 C666 S667 D668 K669 P726	Q660-L664 WeakPolarHBondContact O-CA 3.11Å; Q660-L664 VanDerWaalsContact O-CB 3.29Å; Q660-L664 WeakPolarHBondContact O-CB 3.47Å; Q660-L664 PolarHBondContact O-N 3.47Å; L664-C666 PolarHBondContact O-N 3.31Å; L664-S667 PolarHBondContact O-N 2.9Å; L664-D668 PolarHBondContact O-N 3.45Å; L664-K669 HydrophobicContact CD1-CB 4.24Å; L664-K669 HydrophobicContact CG-CB 4.16Å; L664-K669 HydrophobicContact CG-CG 4.37Å; L664-K669 WeakPolarHBondContact O-CB 3.22Å; L664-K669 PolarHBondContact O-N 2.95Å; L664-P726 HydrophobicContact CD1-CB 3.67Å; L664-P726 HydrophobicContact CD1-CG 4.23Å
665	N	95.1	Very high	94.1	Very high	68 Å²	68	59.8 Å²	59.8	36%	0.364	30%	0.304	S	S	.	.	I	π-helix	trans	-61.3	-40.1	-167.5	-64.7	-36	0	0	0	113.5	Q660 D661 K669	Q660-N665 PolarHBondContact O-N 3.18Å; D661-N665 PolarHBondContact O-N 2.96Å; D661-N665 WeakPolarHBondContact OD1-CB 3.45Å; N665-K669 WeakPolarHBondContact OD1-CD 3.49Å; N665-K669 PolarHBondContact OD1-NZ 3.43Å
666	C	94.4	Very high	93.6	Very high	65 Å²	65	62.7 Å²	62.7	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.2	-177.6	-67.4	0	0	0	0	114.2	D661 R662 L664	D661-C666 WeakPolarHBondContact O-CB 3.37Å; D661-C666 PolarHBondContact O-N 3.29Å; R662-C666 PolarHBondContact NH2-SG 3.37Å; L664-C666 PolarHBondContact O-N 3.31Å
667	S	94.9	Very high	93.2	Very high	36 Å²	36	66.8 Å²	66.8	25%	0.252	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-83.8	-174.9	-178.8	0	0	0	0	111	L664	L664-S667 PolarHBondContact O-N 2.9Å
668	D	95.6	Very high	92.7	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.037	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	28.8	-168	61.6	-15.6	0	0	0	112.9	Q629 L664 D670 P726 A727 V728	Q629-D668 HydrophobicContact CG-CB 3.68Å; Q629-D668 PolarHBondContact NE2-OD2 3.31Å; L664-D668 PolarHBondContact O-N 3.45Å; D668-D670 PolarHBondContact O-N 3.26Å; D668-P726 CarbonylContact O-C 3.55Å; D668-P726 WeakPolarHBondContact O-CA 3.49Å; D668-A727 HydrophobicContact CB-CB 4.16Å; D668-A727 WeakPolarHBondContact O-CB 3.41Å; D668-A727 PolarHBondContact O-N 3.24Å; D668-V728 WeakPolarHBondContact OD2-CG1 3.49Å
669	K	95.2	Very high	92.3	Very high	83 Å²	83	55.3 Å²	55.3	36%	0.361	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	117.9	171.1	-176.5	173.6	-174.4	170	0	110.9	L664 N665 Y671	L664-K669 HydrophobicContact CD1-CB 4.24Å; L664-K669 HydrophobicContact CG-CB 4.16Å; L664-K669 HydrophobicContact CG-CG 4.37Å; L664-K669 WeakPolarHBondContact O-CB 3.22Å; L664-K669 PolarHBondContact O-N 2.95Å; N665-K669 WeakPolarHBondContact OD1-CD 3.49Å; N665-K669 PolarHBondContact OD1-NZ 3.43Å; K669-Y671 WeakPolarHBondContact CE-OH 3.4Å
670	D	92.2	Very high	91.9	Very high	47 Å²	47	54.7 Å²	54.7	25%	0.251	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164.7	174.3	-168.7	22.9	0	0	0	109.3	D668 A724 I725 A727 R730	D668-D670 PolarHBondContact O-N 3.26Å; D670-A724 WeakPolarHBondContact O-CA 3.4Å; D670-I725 CarbonylContact C-O 3.54Å; D670-I725 PolarHBondContact N-O 2.89Å; D670-I725 PolarHBondContact O-N 3.38Å; D670-A727 HydrophobicContact CB-CB 3.89Å; D670-R730 WeakPolarHBondContact OD2-CD 3.39Å; D670-R730 IonicContact OD2-CZ 3.07Å; D670-R730 IonicContact OD2-NH1 2.99Å; D670-R730 PolarHBondContact OD2-NH1 2.84Å
671	Y	90	Very high	91.3	Very high	117 Å²	117	50.4 Å²	50.4	46%	0.459	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.4	175.1	-62.5	-91.5	0	0	0	110.4	K669 F722 V723 A724	K669-Y671 WeakPolarHBondContact CE-OH 3.4Å; Y671-F722 HydrophobicContact CD1-CD1 4.08Å; Y671-F722 AromaticContact CD1-CE1 3.48Å; Y671-F722 HydrophobicContact CD1-CE1 3.48Å; Y671-F722 VanDerWaalsContact CD1-CE1 3.48Å; Y671-F722 HydrophobicContact CD1-CZ 4.11Å; Y671-F722 HydrophobicContact CE1-CE1 4.35Å; Y671-F722 AromaticContact CG-CE1 3.68Å; Y671-F722 HydrophobicContact CG-CE1 3.68Å; Y671-F722 AromaticContact CG-CZ 3.82Å; Y671-F722 HydrophobicContact CG-CZ 3.82Å; Y671-V723 WeakPolarHBondContact CA-O 3.36Å; Y671-A724 HydrophobicContact CD1-CB 4.07Å; Y671-A724 HydrophobicContact CE1-CB 3.95Å
672	A	88.4	Confident	90.7	Very high	7 Å²	7	52.6 Å²	52.6	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.6	-177.1	0	0	0	0	0	111.7	L681 V723 I725	A672-L681 HydrophobicContact CB-CD2 3.93Å; A672-V723 PolarHBondContact N-O 3.23Å; A672-V723 WeakPolarHBondContact O-CG2 3.49Å; A672-V723 PolarHBondContact O-N 3.36Å; A672-I725 HydrophobicContact CB-CD1 3.6Å; A672-I725 HydrophobicContact CB-CG1 4.05Å
673	Y	87.7	Confident	90	Very high	29 Å²	29	47.8 Å²	47.8	11%	0.114	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.1	171.2	-71.8	-91.4	0	0	0	109.7	L684 F706 L720 R721 F722	Y673-L684 HydrophobicContact CD2-CD2 4.04Å; Y673-L684 HydrophobicContact CG-CD1 4.29Å; Y673-L684 HydrophobicContact CG-CD2 4.42Å; Y673-F706 HydrophobicContact CE1-CE1 4.12Å; Y673-F706 VanDerWaalsContact OH-CE1 3.3Å; Y673-F706 WeakPolarHBondContact OH-CE1 3.29Å; Y673-F706 WeakPolarHBondContact OH-CZ 3.5Å; Y673-L720 HydrophobicContact CD1-CB 4.31Å; Y673-R721 CarbonylContact C-O 3.46Å; Y673-R721 VanDerWaalsContact CA-O 3.3Å; Y673-R721 WeakPolarHBondContact CA-O 3.14Å; Y673-F722 HydrophobicContact CD1-CD2 4.09Å; Y673-F722 AromaticContact CD2-CD2 3.96Å; Y673-F722 HydrophobicContact CD2-CD2 3.96Å; Y673-F722 HydrophobicContact CD2-CE2 4.16Å; Y673-F722 HydrophobicContact CE1-CB 4.46Å; Y673-F722 AromaticContact CE1-CD2 3.8Å; Y673-F722 HydrophobicContact CE1-CD2 3.8Å; Y673-F722 AromaticContact CE2-CD2 3.59Å; Y673-F722 HydrophobicContact CE2-CD2 3.59Å; Y673-F722 AromaticContact CE2-CE2 3.59Å; Y673-F722 HydrophobicContact CE2-CE2 3.59Å; Y673-F722 HydrophobicContact CG-CD2 4.2Å; Y673-F722 AromaticContact CZ-CD2 3.55Å; Y673-F722 AromaticContact CZ-CE2 3.86Å
674	L	89.1	Confident	89.3	Confident	6 Å²	6	47.6 Å²	47.6	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.4	171.2	-172.2	76.6	0	0	0	109.5	L681 L720 R721 V723 F745 L747	L674-L681 HydrophobicContact CB-CD2 3.86Å; L674-L681 HydrophobicContact CD1-CB 4.39Å; L674-L681 HydrophobicContact CD1-CD1 4.49Å; L674-L681 HydrophobicContact CD1-CD2 3.55Å; L674-L681 HydrophobicContact CD1-CG 3.47Å; L674-L681 VanDerWaalsContact CD1-CG 3.47Å; L674-L681 HydrophobicContact CG-CD2 4.32Å; L674-L720 WeakPolarHBondContact O-CA 3.4Å; L674-R721 PolarHBondContact N-O 2.82Å; L674-R721 PolarHBondContact O-N 2.73Å; L674-V723 HydrophobicContact CB-CG1 4.5Å; L674-V723 HydrophobicContact CB-CG2 4.16Å; L674-F745 HydrophobicContact CD1-CB 3.82Å; L674-F745 HydrophobicContact CD1-CD2 3.99Å; L674-F745 HydrophobicContact CD1-CG 4.21Å; L674-F745 HydrophobicContact CD2-CB 3.77Å; L674-F745 HydrophobicContact CG-CB 4.48Å; L674-L747 HydrophobicContact CB-CD1 3.89Å; L674-L747 HydrophobicContact CD2-CB 3.87Å; L674-L747 HydrophobicContact CD2-CD1 3.26Å; L674-L747 HydrophobicContact CD2-CG 3.63Å; L674-L747 HydrophobicContact CG-CD1 4.05Å
675	C	89.3	Confident	88.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	114	169.1	-179.3	0	0	0	0	110.5	R677 C678 G679 S680 C711 C714 L720	C675-R677 PolarHBondContact O-N 3.04Å; C675-R677 VanDerWaalsContact O-N 3.14Å; C675-C678 WeakPolarHBondContact CB-SG 3.37Å; C675-C678 PolarHBondContact O-N 2.94Å; C675-G679 VanDerWaalsContact O-CA 3.31Å; C675-G679 WeakPolarHBondContact O-CA 3.47Å; C675-G679 PolarHBondContact O-N 3.41Å; C675-S680 PolarHBondContact N-O 3Å; C675-C711 HydrophobicContact CB-CB 3.96Å; C675-C711 VanDerWaalsContact SG-SG 3.63Å; C675-C714 VanDerWaalsContact SG-SG 3.66Å; C675-L720 HydrophobicContact CB-CD2 4.09Å
676	K	87.5	Confident	87.5	Confident	96 Å²	96	52.4 Å²	52.4	42%	0.417	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.4	178.7	-173.5	165.9	-177.5	152.9	0	113.3	H719 L747 E748	K676-H719 HydrophobicContact CB-CB 4.37Å; K676-H719 WeakPolarHBondContact CB-O 3.31Å; K676-H719 PolarHBondContact N-O 3.11Å; K676-L747 WeakPolarHBondContact CE-O 3.21Å; K676-L747 HydrophobicContact CG-CB 4.49Å; K676-L747 PolarHBondContact NZ-O 3.04Å; K676-E748 PolarHBondContact NZ-OXT 3.21Å
677	R	87.1	Confident	86.1	Confident	173 Å²	173	56.2 Å²	56.2	65%	0.653	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-45.1	-178.9	-175.2	177.3	178.5	-170.1	1	113.9	C675 H719	C675-R677 PolarHBondContact O-N 3.04Å; C675-R677 VanDerWaalsContact O-N 3.14Å; R677-H719 HydrophobicContact CB-CB 4.12Å
678	C	87.4	Confident	84.4	Confident	32 Å²	32	63.7 Å²	63.7	22%	0.216	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-10.2	-177.7	67	0	0	0	0	114.3	C675 S680 C711	C675-C678 WeakPolarHBondContact CB-SG 3.37Å; C675-C678 PolarHBondContact O-N 2.94Å; C678-S680 PolarHBondContact O-N 3.18Å; C678-C711 PolarHBondContact SG-SG 2.98Å
679	G	88.9	Confident	82.5	Confident	4 Å²	4	66.8 Å²	66.8	4%	0.041	32%	0.322	C	S	.	.			trans	66.5	17.5	-179	0	0	0	0	0	114.5	C675 F745	C675-G679 VanDerWaalsContact O-CA 3.31Å; C675-G679 WeakPolarHBondContact O-CA 3.47Å; C675-G679 PolarHBondContact O-N 3.41Å; G679-F745 WeakPolarHBondContact CA-O 3.31Å; G679-F745 WeakPolarHBondContact O-CD2 3.15Å; G679-F745 PolarHBondContact O-N 3.27Å
680	S	87.2	Confident	80.2	Confident	22 Å²	22	69.7 Å²	69.7	15%	0.154	34%	0.341	C	S	.	.			trans	-94.5	136.9	-179.7	-178.8	0	0	0	0	111.9	C675 C678 I682 S683	C675-S680 PolarHBondContact N-O 3Å; C678-S680 PolarHBondContact O-N 3.18Å; S680-I682 WeakPolarHBondContact OG-CG1 3.24Å; S680-I682 PolarHBondContact OG-N 2.86Å; S680-S683 WeakPolarHBondContact CB-OG 3.46Å; S680-S683 PolarHBondContact OG-N 3.06Å; S680-S683 PolarHBondContact OG-OG 3.07Å
681	L	85.3	Confident	77.8	Confident	14 Å²	14	76.8 Å²	76.8	7%	0.073	37%	0.373	C	S	.	.	S	Bend	trans	-92.2	-19.3	172.3	-77.9	170.9	0	0	0	113.1	A672 L674 V723 I725 L729 I733 F745	A672-L681 HydrophobicContact CB-CD2 3.93Å; L674-L681 HydrophobicContact CB-CD2 3.86Å; L674-L681 HydrophobicContact CD1-CB 4.39Å; L674-L681 HydrophobicContact CD1-CD1 4.49Å; L674-L681 HydrophobicContact CD1-CD2 3.55Å; L674-L681 HydrophobicContact CD1-CG 3.47Å; L674-L681 VanDerWaalsContact CD1-CG 3.47Å; L674-L681 HydrophobicContact CG-CD2 4.32Å; L681-V723 HydrophobicContact CD2-CG2 4.12Å; L681-I725 HydrophobicContact CD1-CD1 3.76Å; L681-I725 HydrophobicContact CD2-CD1 4.22Å; L681-L729 HydrophobicContact CD1-CD2 4.39Å; L681-I733 HydrophobicContact CB-CD1 4.09Å; L681-I733 HydrophobicContact CD1-CD1 3.49Å; L681-I733 VanDerWaalsContact CD1-CD1 3.49Å; L681-I733 HydrophobicContact CG-CD1 4.34Å; L681-F745 HydrophobicContact CD1-CD2 3.88Å; L681-F745 HydrophobicContact CD1-CE2 3.54Å; L681-F745 HydrophobicContact CD1-CZ 3.93Å; L681-F745 HydrophobicContact CG-CD2 4.07Å; L681-F745 HydrophobicContact CG-CE2 4.11Å
682	I	84	Confident	75.6	Confident	92 Å²	92	79.8 Å²	79.8	47%	0.472	39%	0.391	S	S	.	.	S	Bend	trans	-101.6	-13.7	-173	58.2	168	0	0	0	113.2	S680 L684 I733	S680-I682 WeakPolarHBondContact OG-CG1 3.24Å; S680-I682 PolarHBondContact OG-N 2.86Å; I682-L684 PolarHBondContact O-N 2.77Å; I682-L684 VanDerWaalsContact O-N 3.13Å; I682-I733 HydrophobicContact CD1-CG2 4.23Å; I682-I733 HydrophobicContact CG1-CG2 4.39Å; I682-I733 HydrophobicContact CG2-CB 4.49Å; I682-I733 HydrophobicContact CG2-CG2 3.73Å
683	S	80	Confident	73.1	Confident	17 Å²	17	84.7 Å²	84.7	12%	0.119	42%	0.422	C	S	.	.			trans	-78.4	12.4	-177	62.7	0	0	0	0	113.9	S680 S685 C711 G712 S713	S680-S683 WeakPolarHBondContact CB-OG 3.46Å; S680-S683 PolarHBondContact OG-N 3.06Å; S680-S683 PolarHBondContact OG-OG 3.07Å; S683-S685 PolarHBondContact O-N 3.17Å; S683-C711 CarbonylContact O-C 3.5Å; S683-C711 PolarHBondContact OG-SG 2.97Å; S683-G712 PolarHBondContact O-N 2.97Å; S683-S713 WeakPolarHBondContact CB-OG 3.26Å
684	L	81.7	Confident	70.5	Confident	67 Å²	67	93.1 Å²	93.1	35%	0.351	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124	179.3	-167	73.7	0	0	0	110.4	Y673 I682 R709 L720	Y673-L684 HydrophobicContact CD2-CD2 4.04Å; Y673-L684 HydrophobicContact CG-CD1 4.29Å; Y673-L684 HydrophobicContact CG-CD2 4.42Å; I682-L684 PolarHBondContact O-N 2.77Å; I682-L684 VanDerWaalsContact O-N 3.13Å; L684-R709 HydrophobicContact CD1-CB 4.17Å; L684-L720 HydrophobicContact CD1-CD1 3.76Å; L684-L720 HydrophobicContact CD1-CD2 4Å
685	S	76.9	Confident	68.2	Low	55 Å²	55	101.3 Å²	101.3	39%	0.385	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.6	173.5	179.2	0	0	0	0	109.7	S683 I710	S683-S685 PolarHBondContact O-N 3.17Å; S685-I710 PolarHBondContact N-O 3.37Å; S685-I710 PolarHBondContact O-N 2.9Å; S685-I710 VanDerWaalsContact O-O 3.1Å
686	Q	75.2	Confident	65.9	Low	132 Å²	132	105.1 Å²	105.1	62%	0.617	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.6	175.4	-167.4	169.7	-9.8	0	0	108.6	K688 N708	Q686-K688 PolarHBondContact O-N 2.96Å; Q686-N708 CarbonylContact C-O 3.49Å; Q686-N708 WeakPolarHBondContact CA-O 3.4Å
687	R	65.6	Low	63.3	Low	144 Å²	144	112.6 Å²	112.6	54%	0.543	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-61.6	129.3	168.4	-72.9	-173.8	177.4	-178	0.4	107.8	A689 N708 I710	R687-A689 PolarHBondContact O-N 3.01Å; R687-N708 HydrophobicContact CB-CB 4.42Å; R687-N708 PolarHBondContact N-O 3.35Å; R687-I710 HydrophobicContact CG-CD1 4.17Å; R687-I710 HydrophobicContact CG-CG1 4.42Å; R687-I710 HydrophobicContact CG-CG2 4.45Å
688	K	58.2	Low	60.9	Low	193 Å²	193	107.5 Å²	107.5	84%	0.839	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-55.8	126.6	165.3	-76.2	-176.2	177.2	-179.6	0	106.3	Q686 D690	Q686-K688 PolarHBondContact O-N 2.96Å; K688-D690 PolarHBondContact O-N 3.05Å
689	A	55.1	Low	58.4	Low	73 Å²	73	113.5 Å²	113.5	60%	0.603	57%	0.573	S	S	*	*			trans	-62.1	112.2	169.6	0	0	0	0	0	106.2	R687 Q691	R687-A689 PolarHBondContact O-N 3.01Å; A689-Q691 PolarHBondContact O-N 3.44Å
690	D	48.2	Very low	55.8	Low	144 Å²	144	118.9 Å²	118.9	77%	0.77	61%	0.605	S	S	*	*			trans	-53.4	135.9	165.4	-70.3	-36.2	0	0	0	107.3	K688 Q692	K688-D690 PolarHBondContact O-N 3.05Å; D690-Q692 PolarHBondContact O-N 3.44Å
691	Q	42.1	Very low	53.4	Low	195 Å²	195	125.8 Å²	125.8	91%	0.911	63%	0.632	S	S	*	*			trans	-46.6	97.9	-178	-68.3	170.8	-13.8	0	0	110.2	A689	A689-Q691 PolarHBondContact O-N 3.44Å
692	Q	43.2	Very low	51.3	Low	180 Å²	180	133.7 Å²	133.7	84%	0.841	67%	0.669	S	S	*	*			trans	-75.2	134.5	168.8	-80.3	-174.5	-26	0	0	108.1	D690 Y694	D690-Q692 PolarHBondContact O-N 3.44Å; Q692-Y694 PolarHBondContact O-N 2.68Å
693	P	35.2	Very low	49.1	Very low	111 Å²	111	135.2 Å²	135.2	72%	0.721	68%	0.678	S	S	*	*			trans	-65	138.2	176.4	27.7	-31.5	0	0	0	109.5	H695	P693-H695 PolarHBondContact O-N 2.87Å
694	Y	34.3	Very low	47.4	Very low	206 Å²	206	140.5 Å²	140.5	81%	0.808	71%	0.705	S	S	*	*			trans	-48	113.8	179	-173.4	-95.5	0	0	0	112.1	Q692 P696	Q692-Y694 PolarHBondContact O-N 2.68Å; Y694-P696 HydrophobicContact CE1-CB 3.98Å; Y694-P696 HydrophobicContact CE1-CG 4.44Å
695	H	39	Very low	46	Very low	177 Å²	177	139.8 Å²	139.8	82%	0.819	71%	0.706	S	S	*	*			trans	-102.4	120.8	163.6	-93.5	-70.4	0	0	0	109.5	P693	P693-H695 PolarHBondContact O-N 2.87Å
696	P	41.1	Very low	44.8	Very low	80 Å²	80	143 Å²	143	52%	0.519	71%	0.713	S	S	.	*			trans	-84.2	139.1	173.5	32.3	-28	0	0	0	109.6	Y694	Y694-P696 HydrophobicContact CE1-CB 3.98Å; Y694-P696 HydrophobicContact CE1-CG 4.44Å
697	R	34.2	Very low	44	Very low	254 Å²	254	145.4 Å²	145.4	96%	0.958	72%	0.721	S	S	*	*			trans	90.7	108.8	175.3	-53.3	175.2	-176.5	-171.8	1	114.9
698	G	35.5	Very low	44.1	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	71%	0.71	S	S	*	*			trans	150.5	117.7	160.1	0	0	0	0	0	112.7	V700	G698-V700 PolarHBondContact O-N 2.98Å; G698-V700 VanDerWaalsContact O-N 3.11Å
699	I	35	Very low	44.9	Very low	158 Å²	158	135.2 Å²	135.2	81%	0.81	68%	0.682	S	S	*	*			trans	-56.3	110	176	-66.2	159.6	0	0	0	109.1	F701	I699-F701 PolarHBondContact O-N 2.89Å
700	V	35.7	Very low	46.4	Very low	117 Å²	117	133 Å²	133	71%	0.709	66%	0.66	S	S	*	*			trans	-77.3	102.9	177.1	179.1	0	0	0	0	108.7	G698	G698-V700 PolarHBondContact O-N 2.98Å; G698-V700 VanDerWaalsContact O-N 3.11Å
701	F	35.5	Very low	48.1	Very low	166 Å²	166	126.2 Å²	126.2	73%	0.728	62%	0.623	S	S	*	*			trans	-61	135.1	156.8	-74.1	-90.7	0	0	0	108.5	I699 N703	I699-F701 PolarHBondContact O-N 2.89Å; F701-N703 PolarHBondContact O-N 3.27Å
702	Q	41	Very low	50.1	Low	180 Å²	180	118.7 Å²	118.7	84%	0.841	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-58.3	15.1	-177.4	-83.2	179.2	-21.4	0	0	116.7
703	N	38.6	Very low	52.1	Low	125 Å²	125	114.2 Å²	114.2	67%	0.668	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-85.1	-11.5	-174.8	-76.3	-11.2	0	0	0	114.8	F701 S705	F701-N703 PolarHBondContact O-N 3.27Å; N703-S705 PolarHBondContact O-N 2.89Å
704	D	43.7	Very low	54.4	Low	128 Å²	128	109.9 Å²	109.9	68%	0.684	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-83.1	-1.2	-176.9	-99.7	-24.4	0	0	0	115.5	F706	D704-F706 VanDerWaalsContact C-N 3.27Å; D704-F706 PolarHBondContact O-N 3.3Å
705	S	52.1	Low	56.7	Low	52 Å²	52	107.7 Å²	107.7	36%	0.364	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-81	-1.4	178.3	70.7	0	0	0	0	114.8	N703	N703-S705 PolarHBondContact O-N 2.89Å
706	F	52.3	Low	58.7	Low	123 Å²	123	101.3 Å²	101.3	54%	0.539	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-77.8	-34.5	-177.1	-92.1	-90.8	0	0	0	114.1	Y673 D704 N708	Y673-F706 HydrophobicContact CE1-CE1 4.12Å; Y673-F706 VanDerWaalsContact OH-CE1 3.3Å; Y673-F706 WeakPolarHBondContact OH-CE1 3.29Å; Y673-F706 WeakPolarHBondContact OH-CZ 3.5Å; D704-F706 VanDerWaalsContact C-N 3.27Å; D704-F706 PolarHBondContact O-N 3.3Å; F706-N708 VanDerWaalsContact C-N 3.3Å; F706-N708 PolarHBondContact O-N 3.03Å
707	K	58.2	Low	60.5	Low	182 Å²	182	98.8 Å²	98.8	79%	0.791	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.3	-173.4	-77.1	-178.4	177.9	174.1	0	114.7
708	N	68.4	Low	62.9	Low	57 Å²	57	92.6 Å²	92.6	31%	0.305	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	12	-174	-72.5	-11.9	0	0	0	114.2	Q686 R687 F706	Q686-N708 CarbonylContact C-O 3.49Å; Q686-N708 WeakPolarHBondContact CA-O 3.4Å; R687-N708 HydrophobicContact CB-CB 4.42Å; R687-N708 PolarHBondContact N-O 3.35Å; F706-N708 VanDerWaalsContact C-N 3.3Å; F706-N708 PolarHBondContact O-N 3.03Å
709	R	75.7	Confident	65.2	Low	65 Å²	65	92.6 Å²	92.6	25%	0.245	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.4	-179.9	-61.2	-177.4	-171.4	-153.7	0.1	110.4	L684 L720	L684-R709 HydrophobicContact CD1-CB 4.17Å; R709-L720 HydrophobicContact CB-CD1 4.05Å; R709-L720 WeakPolarHBondContact O-CD1 3.37Å
710	I	85.1	Confident	67.6	Low	28 Å²	28	86.2 Å²	86.2	14%	0.144	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.5	177	60.4	171.7	0	0	0	109.9	S685 R687 G712	S685-I710 PolarHBondContact N-O 3.37Å; S685-I710 PolarHBondContact O-N 2.9Å; S685-I710 VanDerWaalsContact O-O 3.1Å; R687-I710 HydrophobicContact CG-CD1 4.17Å; R687-I710 HydrophobicContact CG-CG1 4.42Å; R687-I710 HydrophobicContact CG-CG2 4.45Å; I710-G712 PolarHBondContact O-N 2.95Å
711	C	85.1	Confident	70.1	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	120.1	163.6	174.1	0	0	0	0	108.4	C675 C678 S683 S713 C714 K715 T716 L720	C675-C711 HydrophobicContact CB-CB 3.96Å; C675-C711 VanDerWaalsContact SG-SG 3.63Å; C678-C711 PolarHBondContact SG-SG 2.98Å; S683-C711 CarbonylContact O-C 3.5Å; S683-C711 PolarHBondContact OG-SG 2.97Å; C711-S713 VanDerWaalsContact C-N 3.27Å; C711-S713 PolarHBondContact O-N 2.98Å; C711-C714 HydrophobicContact CB-CB 4.03Å; C711-C714 PolarHBondContact O-N 3.15Å; C711-C714 PolarHBondContact SG-N 3.33Å; C711-K715 WeakPolarHBondContact O-CA 3.22Å; C711-K715 PolarHBondContact O-N 3.35Å; C711-T716 PolarHBondContact N-O 3.13Å; C711-L720 HydrophobicContact CB-CD2 4.16Å
712	G	83.8	Confident	72.6	Confident	37 Å²	37	84.2 Å²	84.2	38%	0.381	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.6	177.4	0	0	0	0	0	113.3	S683 I710	S683-G712 PolarHBondContact O-N 2.97Å; I710-G712 PolarHBondContact O-N 2.95Å
713	S	84.7	Confident	75	Confident	86 Å²	86	77.1 Å²	77.1	60%	0.601	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-39.8	177.4	-50.1	0	0	0	0	112.7	S683 C711	S683-S713 WeakPolarHBondContact CB-OG 3.26Å; C711-S713 VanDerWaalsContact C-N 3.27Å; C711-S713 PolarHBondContact O-N 2.98Å
714	C	83.8	Confident	77.5	Confident	21 Å²	21	73.6 Å²	73.6	14%	0.142	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.5	-179.5	-62.2	0	0	0	0	113.7	C675 C711 T716	C675-C714 VanDerWaalsContact SG-SG 3.66Å; C711-C714 HydrophobicContact CB-CB 4.03Å; C711-C714 PolarHBondContact O-N 3.15Å; C711-C714 PolarHBondContact SG-N 3.33Å; C714-T716 PolarHBondContact O-N 3.37Å
715	K	82.9	Confident	79.9	Confident	160 Å²	160	68.4 Å²	68.4	70%	0.696	36%	0.359	S	S	*	.			trans	56	12.5	-174.8	-57.9	-176.8	-179.2	179.9	0	115.6	C711	C711-K715 WeakPolarHBondContact O-CA 3.22Å; C711-K715 PolarHBondContact O-N 3.35Å
716	T	81.6	Confident	82	Confident	43 Å²	43	67.9 Å²	67.9	26%	0.264	35%	0.354	S	S	.	.			trans	-124.6	152.3	178.2	65.8	0	0	0	0	111.3	C711 C714	C711-T716 PolarHBondContact N-O 3.13Å; C714-T716 PolarHBondContact O-N 3.37Å
717	G	78.9	Confident	84	Confident	27 Å²	27	62.3 Å²	62.3	28%	0.278	33%	0.331	S	S	.	.	S	Bend	trans	-90.6	-17.7	174.2	0	0	0	0	0	113.6	H719 L720	G717-H719 PolarHBondContact O-N 2.88Å; G717-L720 WeakPolarHBondContact O-CB 3.45Å; G717-L720 WeakPolarHBondContact O-CG 3.5Å; G717-L720 PolarHBondContact O-N 3.2Å
718	D	82.6	Confident	85.8	Confident	124 Å²	124	56 Å²	56	66%	0.663	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.9	-166.7	-49.9	-24.8	0	0	0	114.1	R721	D718-R721 PolarHBondContact O-NH1 2.89Å
719	H	84.3	Confident	87	Confident	66 Å²	66	54.9 Å²	54.9	31%	0.306	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5	-176.8	-53.2	-56.9	0	0	0	113.9	K676 R677 G717	K676-H719 HydrophobicContact CB-CB 4.37Å; K676-H719 WeakPolarHBondContact CB-O 3.31Å; K676-H719 PolarHBondContact N-O 3.11Å; R677-H719 HydrophobicContact CB-CB 4.12Å; G717-H719 PolarHBondContact O-N 2.88Å
720	L	85.6	Confident	87.7	Confident	24 Å²	24	57.6 Å²	57.6	13%	0.126	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.9	178.3	-65.4	176.1	0	0	0	110.5	Y673 L674 C675 L684 R709 C711 G717	Y673-L720 HydrophobicContact CD1-CB 4.31Å; L674-L720 WeakPolarHBondContact O-CA 3.4Å; C675-L720 HydrophobicContact CB-CD2 4.09Å; L684-L720 HydrophobicContact CD1-CD1 3.76Å; L684-L720 HydrophobicContact CD1-CD2 4Å; R709-L720 HydrophobicContact CB-CD1 4.05Å; R709-L720 WeakPolarHBondContact O-CD1 3.37Å; C711-L720 HydrophobicContact CB-CD2 4.16Å; G717-L720 WeakPolarHBondContact O-CB 3.45Å; G717-L720 WeakPolarHBondContact O-CG 3.5Å; G717-L720 PolarHBondContact O-N 3.2Å
721	R	87.8	Confident	88.1	Confident	126 Å²	126	60.9 Å²	60.9	48%	0.475	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146	175.8	-66.4	-63.5	-179.7	-91.9	3.6	109.5	Y673 L674 D718 L747	Y673-R721 CarbonylContact C-O 3.46Å; Y673-R721 VanDerWaalsContact CA-O 3.3Å; Y673-R721 WeakPolarHBondContact CA-O 3.14Å; L674-R721 PolarHBondContact N-O 2.82Å; L674-R721 PolarHBondContact O-N 2.73Å; D718-R721 PolarHBondContact O-NH1 2.89Å; R721-L747 HydrophobicContact CB-CD1 3.75Å; R721-L747 HydrophobicContact CG-CD1 4.34Å
722	F	88.5	Confident	88.6	Confident	114 Å²	114	64.9 Å²	64.9	50%	0.5	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.4	-179.1	-160.9	-117.2	0	0	0	109.2	Y671 Y673	Y671-F722 HydrophobicContact CD1-CD1 4.08Å; Y671-F722 AromaticContact CD1-CE1 3.48Å; Y671-F722 HydrophobicContact CD1-CE1 3.48Å; Y671-F722 VanDerWaalsContact CD1-CE1 3.48Å; Y671-F722 HydrophobicContact CD1-CZ 4.11Å; Y671-F722 HydrophobicContact CE1-CE1 4.35Å; Y671-F722 AromaticContact CG-CE1 3.68Å; Y671-F722 HydrophobicContact CG-CE1 3.68Å; Y671-F722 AromaticContact CG-CZ 3.82Å; Y671-F722 HydrophobicContact CG-CZ 3.82Å; Y673-F722 HydrophobicContact CD1-CD2 4.09Å; Y673-F722 AromaticContact CD2-CD2 3.96Å; Y673-F722 HydrophobicContact CD2-CD2 3.96Å; Y673-F722 HydrophobicContact CD2-CE2 4.16Å; Y673-F722 HydrophobicContact CE1-CB 4.46Å; Y673-F722 AromaticContact CE1-CD2 3.8Å; Y673-F722 HydrophobicContact CE1-CD2 3.8Å; Y673-F722 AromaticContact CE2-CD2 3.59Å; Y673-F722 HydrophobicContact CE2-CD2 3.59Å; Y673-F722 AromaticContact CE2-CE2 3.59Å; Y673-F722 HydrophobicContact CE2-CE2 3.59Å; Y673-F722 HydrophobicContact CG-CD2 4.2Å; Y673-F722 AromaticContact CZ-CD2 3.55Å; Y673-F722 AromaticContact CZ-CE2 3.86Å
723	V	91.5	Very high	89	Confident	31 Å²	31	63.3 Å²	63.3	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.5	-176.9	-65.2	0	0	0	0	111	Y671 A672 L674 L681 I725 L747	Y671-V723 WeakPolarHBondContact CA-O 3.36Å; A672-V723 PolarHBondContact N-O 3.23Å; A672-V723 WeakPolarHBondContact O-CG2 3.49Å; A672-V723 PolarHBondContact O-N 3.36Å; L674-V723 HydrophobicContact CB-CG1 4.5Å; L674-V723 HydrophobicContact CB-CG2 4.16Å; L681-V723 HydrophobicContact CD2-CG2 4.12Å; V723-I725 HydrophobicContact CG2-CG2 4.08Å; V723-L747 HydrophobicContact CG1-CD1 3.64Å; V723-L747 HydrophobicContact CG1-CD2 4.46Å; V723-L747 HydrophobicContact CG1-CG 4.36Å
724	A	92.2	Very high	89.3	Confident	52 Å²	52	61.6 Å²	61.6	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.4	170.8	0	0	0	0	0	109.3	D670 Y671	D670-A724 WeakPolarHBondContact O-CA 3.4Å; Y671-A724 HydrophobicContact CD1-CB 4.07Å; Y671-A724 HydrophobicContact CE1-CB 3.95Å
725	I	93.6	Very high	89.9	Confident	18 Å²	18	65 Å²	65	9%	0.092	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.8	-179.3	57.8	170	0	0	0	109.5	D670 A672 L681 V723 L729 R730	D670-I725 CarbonylContact C-O 3.54Å; D670-I725 PolarHBondContact N-O 2.89Å; D670-I725 PolarHBondContact O-N 3.38Å; A672-I725 HydrophobicContact CB-CD1 3.6Å; A672-I725 HydrophobicContact CB-CG1 4.05Å; L681-I725 HydrophobicContact CD1-CD1 3.76Å; L681-I725 HydrophobicContact CD2-CD1 4.22Å; V723-I725 HydrophobicContact CG2-CG2 4.08Å; I725-L729 HydrophobicContact CB-CD2 4.18Å; I725-L729 HydrophobicContact CD1-CD2 4.43Å; I725-L729 HydrophobicContact CG2-CD2 4.18Å; I725-R730 HydrophobicContact CD1-CG 3.8Å
726	P	95.4	Very high	90.5	Very high	41 Å²	41	59.5 Å²	59.5	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.5	169.1	28.9	-32.1	0	0	0	109.4	L664 D668 V728 L729	L664-P726 HydrophobicContact CD1-CB 3.67Å; L664-P726 HydrophobicContact CD1-CG 4.23Å; D668-P726 CarbonylContact O-C 3.55Å; D668-P726 WeakPolarHBondContact O-CA 3.49Å; P726-V728 HydrophobicContact CB-CG1 4.22Å; P726-V728 PolarHBondContact O-N 3.28Å; P726-L729 HydrophobicContact CG-CB 4.09Å; P726-L729 VanDerWaalsContact O-CB 3.24Å; P726-L729 WeakPolarHBondContact O-CB 3.47Å; P726-L729 PolarHBondContact O-N 3.36Å
727	A	93.8	Very high	91	Very high	7 Å²	7	59.6 Å²	59.6	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-57.5	-35.1	-178.4	0	0	0	0	0	111.9	K628 D668 D670 L729 R730	K628-A727 HydrophobicContact CB-CB 3.65Å; K628-A727 HydrophobicContact CG-CB 3.69Å; D668-A727 HydrophobicContact CB-CB 4.16Å; D668-A727 WeakPolarHBondContact O-CB 3.41Å; D668-A727 PolarHBondContact O-N 3.24Å; D670-A727 HydrophobicContact CB-CB 3.89Å; A727-L729 PolarHBondContact O-N 3.23Å; A727-R730 WeakPolarHBondContact O-CB 3.3Å; A727-R730 PolarHBondContact O-N 2.88Å
728	V	95.7	Very high	91.7	Very high	50 Å²	50	62.4 Å²	62.4	30%	0.303	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-24.6	177.1	76.5	0	0	0	0	112.9	T627 D668 P726 R730 Y731 L732	T627-V728 HydrophobicContact CG2-CG2 4.48Å; D668-V728 WeakPolarHBondContact OD2-CG1 3.49Å; P726-V728 HydrophobicContact CB-CG1 4.22Å; P726-V728 PolarHBondContact O-N 3.28Å; V728-R730 VanDerWaalsContact C-N 3.3Å; V728-R730 PolarHBondContact O-N 3.28Å; V728-Y731 WeakPolarHBondContact O-CB 3.45Å; V728-Y731 PolarHBondContact O-N 3.19Å; V728-L732 PolarHBondContact O-N 3.5Å
729	L	94.5	Very high	92.3	Very high	33 Å²	33	61 Å²	61	17%	0.173	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-35.8	174.6	-178.5	61	0	0	0	111.6	L681 I725 P726 A727 Y731 L732 I733 F745	L681-L729 HydrophobicContact CD1-CD2 4.39Å; I725-L729 HydrophobicContact CB-CD2 4.18Å; I725-L729 HydrophobicContact CD1-CD2 4.43Å; I725-L729 HydrophobicContact CG2-CD2 4.18Å; P726-L729 HydrophobicContact CG-CB 4.09Å; P726-L729 VanDerWaalsContact O-CB 3.24Å; P726-L729 WeakPolarHBondContact O-CB 3.47Å; P726-L729 PolarHBondContact O-N 3.36Å; A727-L729 PolarHBondContact O-N 3.23Å; L729-Y731 VanDerWaalsContact C-N 3.31Å; L729-L732 HydrophobicContact CD1-CD2 4.23Å; L729-L732 PolarHBondContact O-N 2.78Å; L729-I733 HydrophobicContact CD1-CD1 4.41Å; L729-I733 HydrophobicContact CD1-CG1 4.49Å; L729-I733 HydrophobicContact CG-CD1 4.03Å; L729-I733 WeakPolarHBondContact O-CD1 3.3Å; L729-I733 WeakPolarHBondContact O-CG1 3.42Å; L729-I733 PolarHBondContact O-N 2.78Å; L729-F745 HydrophobicContact CD1-CZ 4.22Å; L729-F745 HydrophobicContact CD2-CE1 4.07Å; L729-F745 HydrophobicContact CD2-CZ 4.04Å; L729-F745 HydrophobicContact CG-CZ 4.33Å
730	R	90.3	Very high	92.7	Very high	122 Å²	122	65.3 Å²	65.3	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-39.7	175.7	-62.7	175.5	63.4	-179	-0	111	D670 I725 A727 V728 I733 A734	D670-R730 WeakPolarHBondContact OD2-CD 3.39Å; D670-R730 IonicContact OD2-CZ 3.07Å; D670-R730 IonicContact OD2-NH1 2.99Å; D670-R730 PolarHBondContact OD2-NH1 2.84Å; I725-R730 HydrophobicContact CD1-CG 3.8Å; A727-R730 WeakPolarHBondContact O-CB 3.3Å; A727-R730 PolarHBondContact O-N 2.88Å; V728-R730 VanDerWaalsContact C-N 3.3Å; V728-R730 PolarHBondContact O-N 3.28Å; R730-I733 PolarHBondContact O-N 3.44Å; R730-A734 PolarHBondContact O-N 2.68Å
731	Y	93.4	Very high	93.1	Very high	97 Å²	97	68.4 Å²	68.4	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-46.7	175.1	-178.7	-121.8	0	0	0	111.1	I626 V728 L729 I733 A734 E735	I626-Y731 HydrophobicContact CG2-CD1 4.11Å; I626-Y731 HydrophobicContact CG2-CD2 3.72Å; I626-Y731 HydrophobicContact CG2-CE1 4.12Å; I626-Y731 HydrophobicContact CG2-CE2 3.76Å; I626-Y731 HydrophobicContact CG2-CG 3.93Å; V728-Y731 WeakPolarHBondContact O-CB 3.45Å; V728-Y731 PolarHBondContact O-N 3.19Å; L729-Y731 VanDerWaalsContact C-N 3.31Å; Y731-I733 VanDerWaalsContact C-N 3.34Å; Y731-I733 PolarHBondContact O-N 3.34Å; Y731-A734 WeakPolarHBondContact O-CB 3.34Å; Y731-A734 PolarHBondContact O-N 3.36Å; Y731-A734 VanDerWaalsContact O-N 3.14Å; Y731-E735 HydrophobicContact CD2-CG 4.19Å; Y731-E735 HydrophobicContact CE1-CG 4.12Å; Y731-E735 HydrophobicContact CE2-CG 3.66Å; Y731-E735 WeakPolarHBondContact CE2-OE1 3.5Å; Y731-E735 WeakPolarHBondContact O-CG 3.44Å; Y731-E735 PolarHBondContact O-N 2.8Å; Y731-E735 PolarHBondContact OH-OE1 3.23Å
732	L	95.3	Very high	93.1	Very high	84 Å²	84	65.6 Å²	65.6	44%	0.44	37%	0.374	S	S	.	.	H	α-helix	trans	-56.4	-45.7	174.9	178.2	63.3	0	0	0	112.4	V728 L729 A734 E735 L736	V728-L732 PolarHBondContact O-N 3.5Å; L729-L732 HydrophobicContact CD1-CD2 4.23Å; L729-L732 PolarHBondContact O-N 2.78Å; L732-A734 VanDerWaalsContact C-N 3.32Å; L732-A734 PolarHBondContact O-N 3.37Å; L732-E735 PolarHBondContact O-N 3.33Å; L732-L736 HydrophobicContact CD1-CD1 4.05Å; L732-L736 HydrophobicContact CD1-CG 4.13Å; L732-L736 HydrophobicContact CG-CD1 3.99Å; L732-L736 HydrophobicContact CG-CG 4.44Å; L732-L736 WeakPolarHBondContact O-CB 3.48Å; L732-L736 VanDerWaalsContact O-CG 3.31Å; L732-L736 WeakPolarHBondContact O-CG 3.5Å; L732-L736 PolarHBondContact O-N 3.14Å
733	I	93.3	Very high	93.1	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-40	178.6	-66	159.1	0	0	0	111.1	L681 I682 L729 R730 Y731 S737 M743 F745	L681-I733 HydrophobicContact CB-CD1 4.09Å; L681-I733 HydrophobicContact CD1-CD1 3.49Å; L681-I733 VanDerWaalsContact CD1-CD1 3.49Å; L681-I733 HydrophobicContact CG-CD1 4.34Å; I682-I733 HydrophobicContact CD1-CG2 4.23Å; I682-I733 HydrophobicContact CG1-CG2 4.39Å; I682-I733 HydrophobicContact CG2-CB 4.49Å; I682-I733 HydrophobicContact CG2-CG2 3.73Å; L729-I733 HydrophobicContact CD1-CD1 4.41Å; L729-I733 HydrophobicContact CD1-CG1 4.49Å; L729-I733 HydrophobicContact CG-CD1 4.03Å; L729-I733 WeakPolarHBondContact O-CD1 3.3Å; L729-I733 WeakPolarHBondContact O-CG1 3.42Å; L729-I733 PolarHBondContact O-N 2.78Å; R730-I733 PolarHBondContact O-N 3.44Å; Y731-I733 VanDerWaalsContact C-N 3.34Å; Y731-I733 PolarHBondContact O-N 3.34Å; I733-S737 VanDerWaalsContact O-CB 3.26Å; I733-S737 WeakPolarHBondContact O-CB 3.39Å; I733-S737 PolarHBondContact O-N 3.38Å; I733-S737 PolarHBondContact O-OG 3.04Å; I733-M743 HydrophobicContact CG1-CB 4.39Å; I733-M743 HydrophobicContact CG1-SD 3.83Å; I733-F745 HydrophobicContact CD1-CE2 3.56Å; I733-F745 HydrophobicContact CD1-CZ 3.74Å; I733-F745 HydrophobicContact CG1-CE2 4.25Å; I733-F745 HydrophobicContact CG1-CZ 4.3Å
734	A	91.2	Very high	93.1	Very high	50 Å²	50	72.2 Å²	72.2	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-64.3	-46.3	177.6	0	0	0	0	0	111.7	R730 Y731 L732 S737 S738	R730-A734 PolarHBondContact O-N 2.68Å; Y731-A734 WeakPolarHBondContact O-CB 3.34Å; Y731-A734 PolarHBondContact O-N 3.36Å; Y731-A734 VanDerWaalsContact O-N 3.14Å; L732-A734 VanDerWaalsContact C-N 3.32Å; L732-A734 PolarHBondContact O-N 3.37Å; A734-S737 PolarHBondContact O-N 3.41Å; A734-S738 PolarHBondContact O-N 2.84Å
735	E	95.2	Very high	93	Very high	92 Å²	92	72.4 Å²	72.4	43%	0.43	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-44.5	176.8	-68.5	-64	154.2	0	0	111.4	Y731 L732 S737 S738 V739	Y731-E735 HydrophobicContact CD2-CG 4.19Å; Y731-E735 HydrophobicContact CE1-CG 4.12Å; Y731-E735 HydrophobicContact CE2-CG 3.66Å; Y731-E735 WeakPolarHBondContact CE2-OE1 3.5Å; Y731-E735 WeakPolarHBondContact O-CG 3.44Å; Y731-E735 PolarHBondContact O-N 2.8Å; Y731-E735 PolarHBondContact OH-OE1 3.23Å; L732-E735 PolarHBondContact O-N 3.33Å; E735-S737 VanDerWaalsContact C-N 3.34Å; E735-S737 PolarHBondContact O-N 3.04Å; E735-S738 WeakPolarHBondContact O-CB 3.45Å; E735-S738 PolarHBondContact O-N 3.06Å; E735-S738 PolarHBondContact O-OG 3.41Å; E735-V739 PolarHBondContact O-N 3.44Å
736	L	95.9	Very high	92.9	Very high	45 Å²	45	80.7 Å²	80.7	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-62.7	-40.2	174.3	-72.2	175.8	0	0	0	112.4	L732 S738 V739 N740 I741 M743	L732-L736 HydrophobicContact CD1-CD1 4.05Å; L732-L736 HydrophobicContact CD1-CG 4.13Å; L732-L736 HydrophobicContact CG-CD1 3.99Å; L732-L736 HydrophobicContact CG-CG 4.44Å; L732-L736 WeakPolarHBondContact O-CB 3.48Å; L732-L736 VanDerWaalsContact O-CG 3.31Å; L732-L736 WeakPolarHBondContact O-CG 3.5Å; L732-L736 PolarHBondContact O-N 3.14Å; L736-S738 PolarHBondContact O-N 2.78Å; L736-V739 CarbonylContact O-C 3.59Å; L736-V739 WeakPolarHBondContact O-CG2 3.09Å; L736-V739 PolarHBondContact O-N 2.99Å; L736-V739 VanDerWaalsContact O-N 3.15Å; L736-N740 PolarHBondContact O-N 2.7Å; L736-I741 CarbonylContact C-O 3.53Å; L736-I741 VanDerWaalsContact C-O 3.25Å; L736-I741 HydrophobicContact CB-CB 4.16Å; L736-I741 HydrophobicContact CB-CG2 4.33Å; L736-I741 HydrophobicContact CD2-CB 4.42Å; L736-I741 HydrophobicContact CD2-CD1 4.23Å; L736-I741 HydrophobicContact CD2-CG2 4.35Å; L736-I741 WeakPolarHBondContact O-CA 3.33Å; L736-I741 WeakPolarHBondContact O-CB 3.47Å; L736-I741 PolarHBondContact O-N 3.35Å; L736-M743 HydrophobicContact CD1-CG 3.88Å; L736-M743 HydrophobicContact CD1-SD 3.58Å; L736-M743 VanDerWaalsContact CD1-SD 3.58Å
737	S	91.2	Very high	92.4	Very high	44 Å²	44	81.2 Å²	81.2	31%	0.308	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-30.8	177.1	-58.9	0	0	0	0	111.9	I733 A734 E735 V739 N740 I741	I733-S737 VanDerWaalsContact O-CB 3.26Å; I733-S737 WeakPolarHBondContact O-CB 3.39Å; I733-S737 PolarHBondContact O-N 3.38Å; I733-S737 PolarHBondContact O-OG 3.04Å; A734-S737 PolarHBondContact O-N 3.41Å; E735-S737 VanDerWaalsContact C-N 3.34Å; E735-S737 PolarHBondContact O-N 3.04Å; S737-V739 PolarHBondContact O-N 3.06Å; S737-N740 PolarHBondContact O-N 3.37Å; S737-I741 PolarHBondContact N-O 3.43Å
738	S	94.3	Very high	91.8	Very high	87 Å²	87	91.6 Å²	91.6	61%	0.608	47%	0.473	S	S	*	.	H	α-helix	trans	-64.7	-28.7	176.3	82.7	0	0	0	0	112.8	A734 E735 L736 N740	A734-S738 PolarHBondContact O-N 2.84Å; E735-S738 WeakPolarHBondContact O-CB 3.45Å; E735-S738 PolarHBondContact O-N 3.06Å; E735-S738 PolarHBondContact O-OG 3.41Å; L736-S738 PolarHBondContact O-N 2.78Å; S738-N740 VanDerWaalsContact C-N 3.35Å
739	V	95.7	Very high	91.6	Very high	95 Å²	95	93.7 Å²	93.7	58%	0.576	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	22.1	172.9	-62.8	0	0	0	0	112.4	E735 L736 S737 I741	E735-V739 PolarHBondContact O-N 3.44Å; L736-V739 CarbonylContact O-C 3.59Å; L736-V739 WeakPolarHBondContact O-CG2 3.09Å; L736-V739 PolarHBondContact O-N 2.99Å; L736-V739 VanDerWaalsContact O-N 3.15Å; S737-V739 PolarHBondContact O-N 3.06Å; V739-I741 VanDerWaalsContact C-N 3.27Å; V739-I741 HydrophobicContact CG2-CB 4.49Å; V739-I741 HydrophobicContact CG2-CD1 3.91Å; V739-I741 HydrophobicContact CG2-CG1 4.11Å; V739-I741 PolarHBondContact O-N 2.69Å
740	N	92.6	Very high	91.4	Very high	156 Å²	156	96.8 Å²	96.8	83%	0.834	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	27.6	176.6	-157.7	26.8	0	0	0	114.8	L736 S737 S738	L736-N740 PolarHBondContact O-N 2.7Å; S737-N740 PolarHBondContact O-N 3.37Å; S738-N740 VanDerWaalsContact C-N 3.35Å
741	I	93.3	Very high	91.5	Very high	89 Å²	89	95.4 Å²	95.4	46%	0.456	50%	0.5	S	S	.	.			trans	-101.5	114	173.3	-61.6	174.5	0	0	0	108.8	L736 S737 V739	L736-I741 CarbonylContact C-O 3.53Å; L736-I741 VanDerWaalsContact C-O 3.25Å; L736-I741 HydrophobicContact CB-CB 4.16Å; L736-I741 HydrophobicContact CB-CG2 4.33Å; L736-I741 HydrophobicContact CD2-CB 4.42Å; L736-I741 HydrophobicContact CD2-CD1 4.23Å; L736-I741 HydrophobicContact CD2-CG2 4.35Å; L736-I741 WeakPolarHBondContact O-CA 3.33Å; L736-I741 WeakPolarHBondContact O-CB 3.47Å; L736-I741 PolarHBondContact O-N 3.35Å; S737-I741 PolarHBondContact N-O 3.43Å; V739-I741 VanDerWaalsContact C-N 3.27Å; V739-I741 HydrophobicContact CG2-CB 4.49Å; V739-I741 HydrophobicContact CG2-CD1 3.91Å; V739-I741 HydrophobicContact CG2-CG1 4.11Å; V739-I741 PolarHBondContact O-N 2.69Å
742	G	88	Confident	91.4	Very high	66 Å²	66	95.4 Å²	95.4	68%	0.68	51%	0.507	S	S	*	.			trans	-94.7	118.9	178	0	0	0	0	0	112.9
743	M	89.8	Confident	91.2	Very high	65 Å²	65	96.1 Å²	96.1	32%	0.32	51%	0.511	S	S	.	.			trans	-84.9	131.2	168.8	-71.1	-173.8	75.9	0	0	111	I733 L736 F745	I733-M743 HydrophobicContact CG1-CB 4.39Å; I733-M743 HydrophobicContact CG1-SD 3.83Å; L736-M743 HydrophobicContact CD1-CG 3.88Å; L736-M743 HydrophobicContact CD1-SD 3.58Å; L736-M743 VanDerWaalsContact CD1-SD 3.58Å; M743-F745 HydrophobicContact CB-CE2 4.1Å; M743-F745 HydrophobicContact CB-CZ 4.39Å; M743-F745 HydrophobicContact CE-CE1 4.18Å; M743-F745 HydrophobicContact CE-CZ 3.76Å; M743-F745 HydrophobicContact SD-CZ 4.43Å
744	R	90.4	Very high	91	Very high	219 Å²	219	102.2 Å²	102.2	83%	0.826	54%	0.544	S	S	*	.			trans	-117.9	125.6	174.2	-67.1	-176.2	-177.5	172.4	1.8	110
745	F	91.3	Very high	91	Very high	57 Å²	57	105.9 Å²	105.9	25%	0.25	55%	0.553	C	S	.	*			trans	-99.8	129.2	177	-60.9	-89.2	0	0	0	110.1	L674 G679 L681 L729 I733 M743	L674-F745 HydrophobicContact CD1-CB 3.82Å; L674-F745 HydrophobicContact CD1-CD2 3.99Å; L674-F745 HydrophobicContact CD1-CG 4.21Å; L674-F745 HydrophobicContact CD2-CB 3.77Å; L674-F745 HydrophobicContact CG-CB 4.48Å; G679-F745 WeakPolarHBondContact CA-O 3.31Å; G679-F745 WeakPolarHBondContact O-CD2 3.15Å; G679-F745 PolarHBondContact O-N 3.27Å; L681-F745 HydrophobicContact CD1-CD2 3.88Å; L681-F745 HydrophobicContact CD1-CE2 3.54Å; L681-F745 HydrophobicContact CD1-CZ 3.93Å; L681-F745 HydrophobicContact CG-CD2 4.07Å; L681-F745 HydrophobicContact CG-CE2 4.11Å; L729-F745 HydrophobicContact CD1-CZ 4.22Å; L729-F745 HydrophobicContact CD2-CE1 4.07Å; L729-F745 HydrophobicContact CD2-CZ 4.04Å; L729-F745 HydrophobicContact CG-CZ 4.33Å; I733-F745 HydrophobicContact CD1-CE2 3.56Å; I733-F745 HydrophobicContact CD1-CZ 3.74Å; I733-F745 HydrophobicContact CG1-CE2 4.25Å; I733-F745 HydrophobicContact CG1-CZ 4.3Å; M743-F745 HydrophobicContact CB-CE2 4.1Å; M743-F745 HydrophobicContact CB-CZ 4.39Å; M743-F745 HydrophobicContact CE-CE1 4.18Å; M743-F745 HydrophobicContact CE-CZ 3.76Å; M743-F745 HydrophobicContact SD-CZ 4.43Å
746	Q	90.1	Very high	90.7	Very high	191 Å²	191	107 Å²	107	89%	0.893	56%	0.562	S	S	*	*			trans	-91.1	121.8	171	-68.9	179.1	-10.5	0	0	108.4
747	L	84.8	Confident	90.2	Very high	52 Å²	52	112.2 Å²	112.2	27%	0.272	59%	0.59	S	S	.	*			trans	-106.1	108.7	177.9	-126.8	172.4	0	0	0	107.2	L674 K676 R721 V723	L674-L747 HydrophobicContact CB-CD1 3.89Å; L674-L747 HydrophobicContact CD2-CB 3.87Å; L674-L747 HydrophobicContact CD2-CD1 3.26Å; L674-L747 HydrophobicContact CD2-CG 3.63Å; L674-L747 HydrophobicContact CG-CD1 4.05Å; K676-L747 WeakPolarHBondContact CE-O 3.21Å; K676-L747 HydrophobicContact CG-CB 4.49Å; K676-L747 PolarHBondContact NZ-O 3.04Å; R721-L747 HydrophobicContact CB-CD1 3.75Å; R721-L747 HydrophobicContact CG-CD1 4.34Å; V723-L747 HydrophobicContact CG1-CD1 3.64Å; V723-L747 HydrophobicContact CG1-CD2 4.46Å; V723-L747 HydrophobicContact CG1-CG 4.36Å
748	E	81.7	Confident	90.2	Very high	225 Å²	225	118.4 Å²	118.4	100%	1.051	62%	0.615	S	S	*	*			trans	-68.9	0	176.6	-66.9	-174.6	166.9	0	0	111.3	K676	K676-E748 PolarHBondContact NZ-OXT 3.21Å

Retrieved 748 of 748 residues in 693.8 ms (Link to these results)

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