A0A077Z372_TRITR Loading...

Ser:Thr protein phosphatase family protein

AlphaFold DB , UniProt , Accession A0A077Z372, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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	45.9	Very low	58.4	Low	217 Å²	217	91.7 Å²	91.7	100%	1.069	49%	0.492	S	S	*	.				0	129.3	0	-66.9	-166.7	-157.1	0	0	110.1
2	L	50.7	Low	58.9	Low	53 Å²	53	96.6 Å²	96.6	28%	0.277	51%	0.506	S	S	.	.			trans	-63.6	144.8	165.3	-73.1	170.1	0	0	0	109.6	V6 M7	L2-V6 HydrophobicContact CB-CB 4.18Å; L2-V6 HydrophobicContact CB-CG1 4.17Å; L2-V6 HydrophobicContact CD1-CG1 3.97Å; L2-V6 HydrophobicContact CD2-CG1 4.18Å; L2-V6 HydrophobicContact CG-CG1 4.34Å; L2-M7 WeakPolarHBondContact O-CE 3.38Å
3	S	65.1	Low	58.6	Low	68 Å²	68	90.8 Å²	90.8	48%	0.476	48%	0.478	S	S	.	.			trans	-60	149.9	-178.7	79.1	0	0	0	0	111	S5 V6 M7	S3-S5 PolarHBondContact O-N 3.04Å; S3-V6 PolarHBondContact O-N 3.15Å; S3-V6 PolarHBondContact OG-N 3.36Å; S3-M7 PolarHBondContact O-N 3.25Å; S3-M7 VanDerWaalsContact O-N 3.13Å
4	A	60.2	Low	58.3	Low	67 Å²	67	87.3 Å²	87.3	55%	0.554	46%	0.458	S	S	*	.	H	α-helix	trans	-52.4	-28.1	175.1	0	0	0	0	0	112.6	K8	A4-K8 WeakPolarHBondContact O-CB 3.4Å; A4-K8 WeakPolarHBondContact O-CG 3.49Å; A4-K8 PolarHBondContact O-N 2.95Å
5	S	58.1	Low	58.4	Low	75 Å²	75	85 Å²	85	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-67.2	-42.2	175.2	-157.1	0	0	0	0	112.4	S3 K8 M9	S3-S5 PolarHBondContact O-N 3.04Å; S5-K8 PolarHBondContact O-N 3.24Å; S5-M9 PolarHBondContact O-N 2.75Å
6	V	57.3	Low	58.4	Low	47 Å²	47	84.8 Å²	84.8	29%	0.285	45%	0.45	S	S	.	.	H	α-helix	trans	-65.5	-44.3	175	177.3	0	0	0	0	110.8	L2 S3 K8 M9 I10	L2-V6 HydrophobicContact CB-CB 4.18Å; L2-V6 HydrophobicContact CB-CG1 4.17Å; L2-V6 HydrophobicContact CD1-CG1 3.97Å; L2-V6 HydrophobicContact CD2-CG1 4.18Å; L2-V6 HydrophobicContact CG-CG1 4.34Å; S3-V6 PolarHBondContact O-N 3.15Å; S3-V6 PolarHBondContact OG-N 3.36Å; V6-K8 PolarHBondContact O-N 3.19Å; V6-M9 WeakPolarHBondContact O-CB 3.3Å; V6-M9 PolarHBondContact O-N 3.39Å; V6-M9 VanDerWaalsContact O-N 3.13Å; V6-I10 HydrophobicContact CG1-CD1 4.06Å; V6-I10 WeakPolarHBondContact O-CG1 3.19Å; V6-I10 PolarHBondContact O-N 2.79Å
7	M	58.6	Low	58.3	Low	84 Å²	84	85.5 Å²	85.5	41%	0.414	45%	0.445	S	S	.	.	H	α-helix	trans	-59.8	-44.2	175.1	-84.1	-170.8	-98.4	0	0	112.4	L2 S3 M9 I10 K11	L2-M7 WeakPolarHBondContact O-CE 3.38Å; S3-M7 PolarHBondContact O-N 3.25Å; S3-M7 VanDerWaalsContact O-N 3.13Å; M7-M9 VanDerWaalsContact C-N 3.29Å; M7-M9 PolarHBondContact O-N 2.95Å; M7-I10 PolarHBondContact O-N 2.63Å; M7-K11 PolarHBondContact O-N 3.33Å
8	K	63.1	Low	58.3	Low	158 Å²	158	85.7 Å²	85.7	69%	0.687	44%	0.443	S	S	*	.	H	α-helix	trans	-60.1	-39.2	174.3	-79.1	179.4	-178.5	178.8	0	111.8	A4 S5 V6 K12	A4-K8 WeakPolarHBondContact O-CB 3.4Å; A4-K8 WeakPolarHBondContact O-CG 3.49Å; A4-K8 PolarHBondContact O-N 2.95Å; S5-K8 PolarHBondContact O-N 3.24Å; V6-K8 PolarHBondContact O-N 3.19Å; K8-K12 VanDerWaalsContact O-CB 3.22Å; K8-K12 WeakPolarHBondContact O-CB 3.44Å; K8-K12 PolarHBondContact O-N 2.82Å
9	M	62.6	Low	58.4	Low	101 Å²	101	88.3 Å²	88.3	50%	0.498	45%	0.451	S	S	.	.	H	α-helix	trans	-66.7	-36.4	175.5	-85.1	-168.9	-79.9	0	0	113.2	S5 V6 M7 S13 R228	S5-M9 PolarHBondContact O-N 2.75Å; V6-M9 WeakPolarHBondContact O-CB 3.3Å; V6-M9 PolarHBondContact O-N 3.39Å; V6-M9 VanDerWaalsContact O-N 3.13Å; M7-M9 VanDerWaalsContact C-N 3.29Å; M7-M9 PolarHBondContact O-N 2.95Å; M9-S13 WeakPolarHBondContact O-CB 3.3Å; M9-S13 PolarHBondContact O-N 3.44Å; M9-S13 VanDerWaalsContact O-N 3.17Å; M9-S13 PolarHBondContact O-OG 2.84Å; M9-R228 PolarHBondContact O-NH1 3.27Å; M9-R228 PolarHBondContact O-NH2 2.84Å
10	I	60.5	Low	58.5	Low	34 Å²	34	86.4 Å²	86.4	17%	0.174	45%	0.446	C	S	.	.	H	α-helix	trans	-65.2	-54.3	173.9	-65.5	168.2	0	0	0	109.6	V6 M7 K12 S13 E14	V6-I10 HydrophobicContact CG1-CD1 4.06Å; V6-I10 WeakPolarHBondContact O-CG1 3.19Å; V6-I10 PolarHBondContact O-N 2.79Å; M7-I10 PolarHBondContact O-N 2.63Å; I10-K12 PolarHBondContact O-N 2.79Å; I10-S13 WeakPolarHBondContact O-CA 3.14Å; I10-S13 WeakPolarHBondContact O-CB 3.33Å; I10-S13 PolarHBondContact O-N 3.33Å; I10-S13 PolarHBondContact O-OG 3.46Å; I10-E14 PolarHBondContact O-N 2.76Å
11	K	60.6	Low	58.4	Low	105 Å²	105	84.1 Å²	84.1	46%	0.457	44%	0.444	S	S	.	.	H	α-helix	trans	-57.5	-46.5	178.4	-69.5	-169.3	178	-161.9	0	113.1	M7 S13 E14 S15 K371	M7-K11 PolarHBondContact O-N 3.33Å; K11-S13 PolarHBondContact O-N 2.77Å; K11-E14 PolarHBondContact O-N 3.24Å; K11-S15 PolarHBondContact O-N 2.88Å; K11-K371 PolarHBondContact NZ-O 3.16Å
12	K	64.1	Low	58.9	Low	150 Å²	150	76.6 Å²	76.6	65%	0.652	41%	0.408	S	S	*	.	H	α-helix	trans	-59.7	-33.7	176.7	-173.1	173.2	-178.5	177.4	0	111.4	K8 I10 I16	K8-K12 VanDerWaalsContact O-CB 3.22Å; K8-K12 WeakPolarHBondContact O-CB 3.44Å; K8-K12 PolarHBondContact O-N 2.82Å; I10-K12 PolarHBondContact O-N 2.79Å; K12-I16 HydrophobicContact CG-CD1 4.02Å; K12-I16 WeakPolarHBondContact O-CD1 3.3Å; K12-I16 VanDerWaalsContact O-CG1 3.23Å; K12-I16 WeakPolarHBondContact O-CG1 3.26Å; K12-I16 PolarHBondContact O-N 3.48Å
13	S	54.6	Low	59.4	Low	22 Å²	22	79.9 Å²	79.9	15%	0.154	42%	0.422	C	S	.	.	H	α-helix	trans	-76	-35.6	177.4	74	0	0	0	0	114.1	M9 I10 K11 S15 I16 R17 R228	M9-S13 WeakPolarHBondContact O-CB 3.3Å; M9-S13 PolarHBondContact O-N 3.44Å; M9-S13 VanDerWaalsContact O-N 3.17Å; M9-S13 PolarHBondContact O-OG 2.84Å; I10-S13 WeakPolarHBondContact O-CA 3.14Å; I10-S13 WeakPolarHBondContact O-CB 3.33Å; I10-S13 PolarHBondContact O-N 3.33Å; I10-S13 PolarHBondContact O-OG 3.46Å; K11-S13 PolarHBondContact O-N 2.77Å; S13-S15 VanDerWaalsContact C-N 3.3Å; S13-I16 PolarHBondContact O-N 2.77Å; S13-R17 WeakPolarHBondContact O-CB 3.47Å; S13-R17 PolarHBondContact O-N 3.48Å; S13-R228 VanDerWaalsContact CB-NH1 3.34Å; S13-R228 VanDerWaalsContact CB-NH2 3.29Å; S13-R228 PolarHBondContact OG-NH2 3.23Å
14	E	54.7	Low	59.1	Low	41 Å²	41	85.7 Å²	85.7	19%	0.192	43%	0.433	C	S	.	.	H	α-helix	trans	-62.2	-43.3	173.5	-69	175.8	142.1	0	0	109.8	I10 K11 R17 E18	I10-E14 PolarHBondContact O-N 2.76Å; K11-E14 PolarHBondContact O-N 3.24Å; E14-R17 WeakPolarHBondContact O-CB 3.49Å; E14-R17 PolarHBondContact O-N 3.12Å; E14-E18 WeakPolarHBondContact O-CG 3.26Å; E14-E18 PolarHBondContact O-N 2.93Å
15	S	59.5	Low	58.6	Low	53 Å²	53	83.7 Å²	83.7	37%	0.371	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-42.7	174.3	-175.2	0	0	0	0	113.5	K11 S13 E18 K19	K11-S15 PolarHBondContact O-N 2.88Å; S13-S15 VanDerWaalsContact C-N 3.3Å; S15-E18 PolarHBondContact O-N 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.22Å; S15-K19 PolarHBondContact O-N 3.03Å
16	I	59.4	Low	58.7	Low	82 Å²	82	85.8 Å²	85.8	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-66.8	-38.8	175.6	-68.9	165.2	0	0	0	111.2	K12 S13 E18 K19 S20	K12-I16 HydrophobicContact CG-CD1 4.02Å; K12-I16 WeakPolarHBondContact O-CD1 3.3Å; K12-I16 VanDerWaalsContact O-CG1 3.23Å; K12-I16 WeakPolarHBondContact O-CG1 3.26Å; K12-I16 PolarHBondContact O-N 3.48Å; S13-I16 PolarHBondContact O-N 2.77Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-K19 PolarHBondContact O-N 3.36Å; I16-S20 WeakPolarHBondContact O-CB 3.43Å; I16-S20 PolarHBondContact O-N 3.47Å; I16-S20 PolarHBondContact O-OG 2.77Å
17	R	56.7	Low	59	Low	96 Å²	96	91 Å²	91	36%	0.362	43%	0.432	S	S	.	.	H	α-helix	trans	-59.9	-44.8	174.7	178	179.9	70.3	171.5	-0.3	110.4	S13 E14 S20 G21	S13-R17 WeakPolarHBondContact O-CB 3.47Å; S13-R17 PolarHBondContact O-N 3.48Å; E14-R17 WeakPolarHBondContact O-CB 3.49Å; E14-R17 PolarHBondContact O-N 3.12Å; R17-S20 PolarHBondContact O-OG 3.05Å; R17-G21 PolarHBondContact O-N 3.36Å
18	E	58.5	Low	58.6	Low	89 Å²	89	90 Å²	90	42%	0.416	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-47.5	175.9	-76.3	175.3	179.7	0	0	112.1	E14 S15 I16 G21 N22	E14-E18 WeakPolarHBondContact O-CG 3.26Å; E14-E18 PolarHBondContact O-N 2.93Å; S15-E18 PolarHBondContact O-N 3.31Å; I16-E18 VanDerWaalsContact C-N 3.33Å; E18-G21 PolarHBondContact O-N 2.9Å; E18-N22 WeakPolarHBondContact O-CB 3.23Å; E18-N22 PolarHBondContact O-N 3.44Å; E18-N22 PolarHBondContact O-ND2 2.95Å; E18-N22 PolarHBondContact O-OD1 3.49Å
19	K	59.8	Low	57.8	Low	136 Å²	136	86 Å²	86	59%	0.591	41%	0.412	S	S	*	.	H	α-helix	trans	-62.1	-50.6	179	-74	-176.1	-179.3	-172.6	0	112.9	S15 I16 G21 N22 E23	S15-K19 WeakPolarHBondContact O-CG 3.22Å; S15-K19 PolarHBondContact O-N 3.03Å; I16-K19 PolarHBondContact O-N 3.36Å; K19-G21 VanDerWaalsContact C-N 3.34Å; K19-G21 PolarHBondContact O-N 2.93Å; K19-N22 WeakPolarHBondContact O-CB 3.36Å; K19-N22 PolarHBondContact O-N 2.86Å; K19-E23 PolarHBondContact O-N 3.36Å
20	S	59.5	Low	57.8	Low	50 Å²	50	84.8 Å²	84.8	35%	0.35	41%	0.408	S	S	.	.	H	α-helix	trans	-66.9	-35.6	179.6	61.1	0	0	0	0	112.7	I16 R17 R24	I16-S20 WeakPolarHBondContact O-CB 3.43Å; I16-S20 PolarHBondContact O-N 3.47Å; I16-S20 PolarHBondContact O-OG 2.77Å; R17-S20 PolarHBondContact O-OG 3.05Å; S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 3.5Å; S20-R24 VanDerWaalsContact O-N 3.07Å
21	G	57.3	Low	57.4	Low	38 Å²	38	92.6 Å²	92.6	39%	0.392	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-47.4	170.1	0	0	0	0	0	111.5	R17 E18 K19 K25	R17-G21 PolarHBondContact O-N 3.36Å; E18-G21 PolarHBondContact O-N 2.9Å; K19-G21 VanDerWaalsContact C-N 3.34Å; K19-G21 PolarHBondContact O-N 2.93Å; G21-K25 WeakPolarHBondContact O-CB 3.47Å; G21-K25 PolarHBondContact O-N 3.13Å
22	N	57	Low	56.4	Low	59 Å²	59	91.7 Å²	91.7	32%	0.316	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-43.3	178.3	-67	-18	0	0	0	112.5	E18 K19 K25 Q26 N321	E18-N22 WeakPolarHBondContact O-CB 3.23Å; E18-N22 PolarHBondContact O-N 3.44Å; E18-N22 PolarHBondContact O-ND2 2.95Å; E18-N22 PolarHBondContact O-OD1 3.49Å; K19-N22 WeakPolarHBondContact O-CB 3.36Å; K19-N22 PolarHBondContact O-N 2.86Å; N22-K25 CarbonylContact O-C 3.52Å; N22-K25 PolarHBondContact O-N 3.32Å; N22-Q26 WeakPolarHBondContact O-CB 3.44Å; N22-Q26 PolarHBondContact O-N 3.45Å; N22-N321 PolarHBondContact OD1-ND2 2.99Å
23	E	61	Low	55.6	Low	123 Å²	123	91.2 Å²	91.2	58%	0.575	43%	0.427	S	S	*	.	H	α-helix	trans	-64.9	-46.6	178.3	-74.2	176	-172.1	0	0	112.5	K19 K25 Q26 K27	K19-E23 PolarHBondContact O-N 3.36Å; E23-K25 PolarHBondContact O-N 3.48Å; E23-Q26 PolarHBondContact O-N 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.28Å; E23-K27 PolarHBondContact O-N 2.99Å
24	R	57.1	Low	55.4	Low	190 Å²	190	98.5 Å²	98.5	72%	0.717	45%	0.451	S	S	*	.	H	α-helix	trans	-62.1	-38.7	176.5	-173.1	175.9	179.8	170.7	1.2	110.6	S20 K27 L28	S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 3.5Å; S20-R24 VanDerWaalsContact O-N 3.07Å; R24-K27 PolarHBondContact O-N 3.19Å; R24-L28 HydrophobicContact CG-CD1 4.34Å; R24-L28 PolarHBondContact O-N 3.29Å
25	K	51.4	Low	54.7	Low	24 Å²	24	99 Å²	99	10%	0.104	46%	0.459	C	S	.	.	H	α-helix	trans	-68.8	-41.6	177.1	-177.6	175.4	174.9	173.8	0	112.6	G21 N22 E23 K27 L28 Q29 E109 V323	G21-K25 WeakPolarHBondContact O-CB 3.47Å; G21-K25 PolarHBondContact O-N 3.13Å; N22-K25 CarbonylContact O-C 3.52Å; N22-K25 PolarHBondContact O-N 3.32Å; E23-K25 PolarHBondContact O-N 3.48Å; K25-K27 VanDerWaalsContact C-N 3.29Å; K25-K27 PolarHBondContact O-N 2.93Å; K25-L28 CarbonylContact O-C 3.49Å; K25-L28 WeakPolarHBondContact O-CA 3.19Å; K25-L28 WeakPolarHBondContact O-CB 3.27Å; K25-L28 PolarHBondContact O-N 3.08Å; K25-L28 VanDerWaalsContact O-N 3.11Å; K25-Q29 HydrophobicContact CG-CG 4.44Å; K25-Q29 WeakPolarHBondContact O-CB 3.36Å; K25-Q29 WeakPolarHBondContact O-CG 3.38Å; K25-Q29 PolarHBondContact O-N 2.75Å; K25-E109 IonicContact NZ-OE1 3.75Å; K25-E109 PolarHBondContact NZ-OE1 2.74Å; K25-E109 IonicContact NZ-OE2 2.63Å; K25-V323 HydrophobicContact CD-CG1 4.35Å; K25-V323 HydrophobicContact CD-CG2 4.08Å; K25-V323 VanDerWaalsContact NZ-CB 3.34Å
26	Q	59.5	Low	53.5	Low	120 Å²	120	103.9 Å²	103.9	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-63.9	-37.2	175.6	-169.4	168.6	29.3	0	0	111.2	N22 E23 Q29 N30	N22-Q26 WeakPolarHBondContact O-CB 3.44Å; N22-Q26 PolarHBondContact O-N 3.45Å; E23-Q26 PolarHBondContact O-N 3.29Å; Q26-Q29 PolarHBondContact O-N 3.45Å; Q26-N30 VanDerWaalsContact O-CB 3.27Å; Q26-N30 WeakPolarHBondContact O-CB 3.28Å; Q26-N30 PolarHBondContact O-N 3.05Å; Q26-N30 PolarHBondContact O-ND2 2.88Å
27	K	64.2	Low	52.5	Low	156 Å²	156	104 Å²	104	68%	0.678	48%	0.475	S	S	*	.	H	α-helix	trans	-63.1	-42	170.9	-72	178	-179.3	177.9	0	112.2	E23 R24 K25 R31	E23-K27 WeakPolarHBondContact O-CG 3.28Å; E23-K27 PolarHBondContact O-N 2.99Å; R24-K27 PolarHBondContact O-N 3.19Å; K25-K27 VanDerWaalsContact C-N 3.29Å; K25-K27 PolarHBondContact O-N 2.93Å; K27-R31 WeakPolarHBondContact O-CB 3.4Å; K27-R31 PolarHBondContact O-N 2.94Å
28	L	49.9	Very low	51.8	Low	64 Å²	64	105.1 Å²	105.1	34%	0.335	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-48.2	174.6	-101.8	134	0	0	0	111.7	R24 K25 N30 R31 Y32	R24-L28 HydrophobicContact CG-CD1 4.34Å; R24-L28 PolarHBondContact O-N 3.29Å; K25-L28 CarbonylContact O-C 3.49Å; K25-L28 WeakPolarHBondContact O-CA 3.19Å; K25-L28 WeakPolarHBondContact O-CB 3.27Å; K25-L28 PolarHBondContact O-N 3.08Å; K25-L28 VanDerWaalsContact O-N 3.11Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 2.84Å; L28-R31 CarbonylContact O-C 3.6Å; L28-R31 WeakPolarHBondContact O-CA 3.21Å; L28-R31 WeakPolarHBondContact O-CB 3.18Å; L28-R31 PolarHBondContact O-N 3.36Å; L28-R31 VanDerWaalsContact O-N 3.12Å; L28-Y32 HydrophobicContact CD2-CD2 4.32Å; L28-Y32 HydrophobicContact CD2-CE2 3.7Å; L28-Y32 WeakPolarHBondContact O-CD2 3.41Å; L28-Y32 PolarHBondContact O-N 2.98Å
29	Q	46.8	Very low	50.7	Low	72 Å²	72	105 Å²	105	34%	0.336	48%	0.484	S	S	.	.	H	α-helix	trans	-60.1	-40.6	175.4	-75.6	-178.6	-8.5	0	0	111.9	K25 Q26 R31 Y32 K33	K25-Q29 HydrophobicContact CG-CG 4.44Å; K25-Q29 WeakPolarHBondContact O-CB 3.36Å; K25-Q29 WeakPolarHBondContact O-CG 3.38Å; K25-Q29 PolarHBondContact O-N 2.75Å; Q26-Q29 PolarHBondContact O-N 3.45Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-Y32 PolarHBondContact O-N 3.44Å; Q29-K33 WeakPolarHBondContact O-CB 3.35Å; Q29-K33 WeakPolarHBondContact O-CG 3.48Å; Q29-K33 PolarHBondContact O-N 2.94Å
30	N	61.5	Low	49.5	Very low	76 Å²	76	102.3 Å²	102.3	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-37.2	175.1	-73.4	-12.3	0	0	0	111.6	Q26 L28 R34	Q26-N30 VanDerWaalsContact O-CB 3.27Å; Q26-N30 WeakPolarHBondContact O-CB 3.28Å; Q26-N30 PolarHBondContact O-N 3.05Å; Q26-N30 PolarHBondContact O-ND2 2.88Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 2.84Å; N30-R34 WeakPolarHBondContact O-CB 3.39Å; N30-R34 VanDerWaalsContact O-CG 3.26Å; N30-R34 WeakPolarHBondContact O-CG 3.36Å; N30-R34 PolarHBondContact O-N 2.8Å
31	R	52.1	Low	48.4	Very low	198 Å²	198	106.3 Å²	106.3	75%	0.747	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-40.6	172.9	-172.8	-177.3	-86.7	-171.6	-8.7	111.1	K27 L28 Q29 R34 S35	K27-R31 WeakPolarHBondContact O-CB 3.4Å; K27-R31 PolarHBondContact O-N 2.94Å; L28-R31 CarbonylContact O-C 3.6Å; L28-R31 WeakPolarHBondContact O-CA 3.21Å; L28-R31 WeakPolarHBondContact O-CB 3.18Å; L28-R31 PolarHBondContact O-N 3.36Å; L28-R31 VanDerWaalsContact O-N 3.12Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; R31-R34 PolarHBondContact O-N 3.15Å; R31-S35 WeakPolarHBondContact O-CB 3.46Å; R31-S35 PolarHBondContact O-N 3.39Å
32	Y	40.2	Very low	47.4	Very low	86 Å²	86	109.2 Å²	109.2	34%	0.337	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-46.2	174.7	-86	-68.2	0	0	0	112.7	L28 Q29 R34 S35 Y36 H104 V110	L28-Y32 HydrophobicContact CD2-CD2 4.32Å; L28-Y32 HydrophobicContact CD2-CE2 3.7Å; L28-Y32 WeakPolarHBondContact O-CD2 3.41Å; L28-Y32 PolarHBondContact O-N 2.98Å; Q29-Y32 PolarHBondContact O-N 3.44Å; Y32-R34 PolarHBondContact O-N 3.42Å; Y32-S35 PolarHBondContact O-N 3.15Å; Y32-Y36 VanDerWaalsContact O-CB 3.26Å; Y32-Y36 WeakPolarHBondContact O-CB 3.36Å; Y32-Y36 PolarHBondContact O-N 2.8Å; Y32-H104 AromaticContact CE1-CE1 3.71Å; Y32-H104 AromaticContact CZ-CE1 3.77Å; Y32-H104 AromaticContact CZ-ND1 3.77Å; Y32-H104 PolarHBondContact OH-CE1 3.21Å; Y32-H104 PolarHBondContact OH-ND1 2.93Å; Y32-V110 HydrophobicContact CD2-CG2 4.34Å; Y32-V110 HydrophobicContact CE2-CG2 3.83Å
33	K	47.6	Very low	46.7	Very low	141 Å²	141	109.5 Å²	109.5	61%	0.613	50%	0.5	S	S	*	.	H	α-helix	trans	-55.7	-43.8	174.2	-79.6	-175.8	178.1	-176.1	0	110.2	Q29 T37	Q29-K33 WeakPolarHBondContact O-CB 3.35Å; Q29-K33 WeakPolarHBondContact O-CG 3.48Å; Q29-K33 PolarHBondContact O-N 2.94Å; K33-T37 WeakPolarHBondContact O-CB 3.36Å; K33-T37 VanDerWaalsContact O-CG2 3.24Å; K33-T37 WeakPolarHBondContact O-CG2 3.16Å; K33-T37 PolarHBondContact O-N 3.29Å; K33-T37 PolarHBondContact O-OG1 3.27Å
34	R	48.8	Very low	45.7	Very low	174 Å²	174	107.3 Å²	107.3	66%	0.657	50%	0.495	S	S	*	.	H	α-helix	trans	-62.6	-51.4	174.3	-75	176.9	-173.8	-179.6	0.3	112.4	N30 R31 Y32 Y36 T37 E38	N30-R34 WeakPolarHBondContact O-CB 3.39Å; N30-R34 VanDerWaalsContact O-CG 3.26Å; N30-R34 WeakPolarHBondContact O-CG 3.36Å; N30-R34 PolarHBondContact O-N 2.8Å; R31-R34 PolarHBondContact O-N 3.15Å; Y32-R34 PolarHBondContact O-N 3.42Å; R34-Y36 VanDerWaalsContact C-N 3.34Å; R34-Y36 PolarHBondContact O-N 3.16Å; R34-T37 WeakPolarHBondContact CA-OG1 3.39Å; R34-T37 PolarHBondContact O-N 2.99Å; R34-T37 PolarHBondContact O-OG1 3.2Å; R34-E38 WeakPolarHBondContact O-CB 3.35Å; R34-E38 WeakPolarHBondContact O-CG 3.37Å; R34-E38 PolarHBondContact O-N 2.82Å
35	S	41.8	Very low	44.8	Very low	52 Å²	52	102.1 Å²	102.1	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-56.6	-46.5	178.2	-168.5	0	0	0	0	112	R31 Y32 E38 E39	R31-S35 WeakPolarHBondContact O-CB 3.46Å; R31-S35 PolarHBondContact O-N 3.39Å; Y32-S35 PolarHBondContact O-N 3.15Å; S35-E38 PolarHBondContact O-N 2.81Å; S35-E39 WeakPolarHBondContact O-CG 3.26Å; S35-E39 PolarHBondContact O-N 2.94Å
36	Y	32.9	Very low	44.5	Very low	155 Å²	155	106.1 Å²	106.1	61%	0.608	50%	0.5	S	S	*	.	H	α-helix	trans	-69.6	-38.9	179.6	-171.9	-102.4	0	0	0	112.1	Y32 R34 E38 E39 I40	Y32-Y36 VanDerWaalsContact O-CB 3.26Å; Y32-Y36 WeakPolarHBondContact O-CB 3.36Å; Y32-Y36 PolarHBondContact O-N 2.8Å; R34-Y36 VanDerWaalsContact C-N 3.34Å; R34-Y36 PolarHBondContact O-N 3.16Å; Y36-E38 VanDerWaalsContact C-N 3.33Å; Y36-E39 PolarHBondContact O-N 2.63Å; Y36-I40 HydrophobicContact CD1-CD1 3.74Å; Y36-I40 HydrophobicContact CD1-CG1 4.49Å; Y36-I40 HydrophobicContact CE1-CD1 3.31Å; Y36-I40 HydrophobicContact CE1-CG1 4.24Å; Y36-I40 WeakPolarHBondContact O-CG1 3.24Å; Y36-I40 PolarHBondContact O-N 2.94Å
37	T	39.1	Very low	43.7	Very low	84 Å²	84	102.8 Å²	102.8	52%	0.515	49%	0.493	S	S	.	.	H	α-helix	trans	-67.3	-34	172.3	52.2	0	0	0	0	112.3	K33 R34 K41	K33-T37 WeakPolarHBondContact O-CB 3.36Å; K33-T37 VanDerWaalsContact O-CG2 3.24Å; K33-T37 WeakPolarHBondContact O-CG2 3.16Å; K33-T37 PolarHBondContact O-N 3.29Å; K33-T37 PolarHBondContact O-OG1 3.27Å; R34-T37 WeakPolarHBondContact CA-OG1 3.39Å; R34-T37 PolarHBondContact O-N 2.99Å; R34-T37 PolarHBondContact O-OG1 3.2Å; T37-K41 VanDerWaalsContact O-CB 3.23Å; T37-K41 WeakPolarHBondContact O-CB 3.49Å; T37-K41 PolarHBondContact O-N 2.86Å
38	E	42.5	Very low	42.6	Very low	120 Å²	120	98.4 Å²	98.4	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-71.1	-38.5	174.6	-77.6	180	-175.4	0	0	111.4	R34 S35 Y36 K41 N42	R34-E38 WeakPolarHBondContact O-CB 3.35Å; R34-E38 WeakPolarHBondContact O-CG 3.37Å; R34-E38 PolarHBondContact O-N 2.82Å; S35-E38 PolarHBondContact O-N 2.81Å; Y36-E38 VanDerWaalsContact C-N 3.33Å; E38-K41 PolarHBondContact O-N 3.2Å; E38-N42 VanDerWaalsContact O-CB 3.26Å; E38-N42 WeakPolarHBondContact O-CB 3.35Å; E38-N42 PolarHBondContact O-N 2.81Å; E38-N42 PolarHBondContact O-ND2 3.41Å
39	E	35.5	Very low	42.5	Very low	88 Å²	88	98.2 Å²	98.2	41%	0.411	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-43.8	172.3	-79.7	177.3	176.2	0	0	112.1	S35 Y36 K41 N42 S43	S35-E39 WeakPolarHBondContact O-CG 3.26Å; S35-E39 PolarHBondContact O-N 2.94Å; Y36-E39 PolarHBondContact O-N 2.63Å; E39-K41 VanDerWaalsContact C-N 3.35Å; E39-N42 PolarHBondContact O-N 2.76Å; E39-S43 VanDerWaalsContact O-CB 3.3Å; E39-S43 WeakPolarHBondContact O-CB 3.25Å; E39-S43 PolarHBondContact O-N 2.91Å; E39-S43 PolarHBondContact O-OG 3.33Å
40	I	33.4	Very low	42.5	Very low	79 Å²	79	101.9 Å²	101.9	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-48.2	173.8	-71.7	172.8	0	0	0	109.3	Y36 N42 S43 V44	Y36-I40 HydrophobicContact CD1-CD1 3.74Å; Y36-I40 HydrophobicContact CD1-CG1 4.49Å; Y36-I40 HydrophobicContact CE1-CD1 3.31Å; Y36-I40 HydrophobicContact CE1-CG1 4.24Å; Y36-I40 WeakPolarHBondContact O-CG1 3.24Å; Y36-I40 PolarHBondContact O-N 2.94Å; I40-N42 PolarHBondContact O-N 2.8Å; I40-S43 PolarHBondContact O-N 2.78Å; I40-S43 PolarHBondContact O-OG 3.36Å; I40-V44 HydrophobicContact CG2-CG2 4.23Å; I40-V44 WeakPolarHBondContact O-CB 3.22Å; I40-V44 WeakPolarHBondContact O-CG2 3.45Å; I40-V44 PolarHBondContact O-N 3.12Å
41	K	36.8	Very low	41.7	Very low	133 Å²	133	105.3 Å²	105.3	58%	0.578	52%	0.52	S	S	*	.	H	α-helix	trans	-61.3	-45.7	-179.7	-167.3	-179.3	177.7	-171.6	0	111.7	T37 E38 E39 S43 V44 D45	T37-K41 VanDerWaalsContact O-CB 3.23Å; T37-K41 WeakPolarHBondContact O-CB 3.49Å; T37-K41 PolarHBondContact O-N 2.86Å; E38-K41 PolarHBondContact O-N 3.2Å; E39-K41 VanDerWaalsContact C-N 3.35Å; K41-S43 PolarHBondContact O-N 2.85Å; K41-V44 PolarHBondContact O-N 3.11Å; K41-D45 WeakPolarHBondContact O-CB 3.45Å; K41-D45 PolarHBondContact O-N 3.14Å
42	N	36.9	Very low	41	Very low	99 Å²	99	103.8 Å²	103.8	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-38.3	176.4	-70.4	-15.4	0	0	0	111.8	E38 E39 I40 V44 D45 E46	E38-N42 VanDerWaalsContact O-CB 3.26Å; E38-N42 WeakPolarHBondContact O-CB 3.35Å; E38-N42 PolarHBondContact O-N 2.81Å; E38-N42 PolarHBondContact O-ND2 3.41Å; E39-N42 PolarHBondContact O-N 2.76Å; I40-N42 PolarHBondContact O-N 2.8Å; N42-V44 VanDerWaalsContact C-N 3.35Å; N42-D45 PolarHBondContact O-N 3.27Å; N42-E46 WeakPolarHBondContact O-CB 3.43Å; N42-E46 PolarHBondContact O-N 3.44Å
43	S	41.2	Very low	40.7	Very low	66 Å²	66	102.7 Å²	102.7	46%	0.462	54%	0.536	S	S	.	.	H	α-helix	trans	-68.1	-34.4	175.7	75.7	0	0	0	0	112.6	E39 I40 K41 A47	E39-S43 VanDerWaalsContact O-CB 3.3Å; E39-S43 WeakPolarHBondContact O-CB 3.25Å; E39-S43 PolarHBondContact O-N 2.91Å; E39-S43 PolarHBondContact O-OG 3.33Å; I40-S43 PolarHBondContact O-N 2.78Å; I40-S43 PolarHBondContact O-OG 3.36Å; K41-S43 PolarHBondContact O-N 2.85Å; S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.97Å
44	V	40.2	Very low	40	Very low	77 Å²	77	101.9 Å²	101.9	47%	0.467	55%	0.548	S	S	.	.	H	α-helix	trans	-72.6	-43.4	174.6	173.5	0	0	0	0	110.1	I40 K41 N42 A47 T48	I40-V44 HydrophobicContact CG2-CG2 4.23Å; I40-V44 WeakPolarHBondContact O-CB 3.22Å; I40-V44 WeakPolarHBondContact O-CG2 3.45Å; I40-V44 PolarHBondContact O-N 3.12Å; K41-V44 PolarHBondContact O-N 3.11Å; N42-V44 VanDerWaalsContact C-N 3.35Å; V44-A47 PolarHBondContact O-N 2.92Å; V44-T48 VanDerWaalsContact O-CB 3.3Å; V44-T48 WeakPolarHBondContact O-CB 3.32Å; V44-T48 PolarHBondContact O-N 3.08Å; V44-T48 PolarHBondContact O-OG1 3Å
45	D	39.8	Very low	39	Very low	80 Å²	80	97.1 Å²	97.1	43%	0.428	55%	0.553	S	S	.	*	H	α-helix	trans	-65.8	-39.6	177.2	-69.9	-18.8	0	0	0	110.7	K41 N42 T48 A49	K41-D45 WeakPolarHBondContact O-CB 3.45Å; K41-D45 PolarHBondContact O-N 3.14Å; N42-D45 PolarHBondContact O-N 3.27Å; D45-T48 PolarHBondContact O-N 2.99Å; D45-A49 VanDerWaalsContact O-CB 3.26Å; D45-A49 WeakPolarHBondContact O-CB 3.47Å; D45-A49 PolarHBondContact O-N 3.14Å
46	E	44.2	Very low	38.2	Very low	108 Å²	108	98.8 Å²	98.8	51%	0.505	58%	0.579	S	S	.	*	H	α-helix	trans	-70.5	-37.8	176.1	-160.5	-172.3	161.7	0	0	111.9	N42 T48 K50	N42-E46 WeakPolarHBondContact O-CB 3.43Å; N42-E46 PolarHBondContact O-N 3.44Å; E46-T48 VanDerWaalsContact C-N 3.35Å; E46-K50 WeakPolarHBondContact O-CB 3.46Å; E46-K50 VanDerWaalsContact O-CG 3.3Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 2.9Å; E46-K50 WeakPolarHBondContact OE1-CE 2.99Å; E46-K50 IonicContact OE1-NZ 2.75Å; E46-K50 PolarHBondContact OE1-NZ 3.34Å
47	A	43.2	Very low	37.9	Very low	50 Å²	50	95.4 Å²	95.4	41%	0.413	59%	0.591	S	S	.	*	H	α-helix	trans	-65.7	-37.8	171.1	0	0	0	0	0	112	S43 V44 L51	S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.97Å; V44-A47 PolarHBondContact O-N 2.92Å; A47-L51 WeakPolarHBondContact O-CD1 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.49Å; A47-L51 PolarHBondContact O-N 2.81Å
48	T	41.1	Very low	37.3	Very low	64 Å²	64	100.6 Å²	100.6	39%	0.393	61%	0.609	S	S	.	*	H	α-helix	trans	-71.3	-39.3	177.4	-51.1	0	0	0	0	111.1	V44 D45 E46 L51 Q52	V44-T48 VanDerWaalsContact O-CB 3.3Å; V44-T48 WeakPolarHBondContact O-CB 3.32Å; V44-T48 PolarHBondContact O-N 3.08Å; V44-T48 PolarHBondContact O-OG1 3Å; D45-T48 PolarHBondContact O-N 2.99Å; E46-T48 VanDerWaalsContact C-N 3.35Å; T48-L51 PolarHBondContact O-N 2.78Å; T48-Q52 PolarHBondContact O-N 2.64Å
49	A	47.7	Very low	37.3	Very low	61 Å²	61	100.1 Å²	100.1	50%	0.504	62%	0.617	S	S	.	*	H	α-helix	trans	-67	-39.2	175.4	0	0	0	0	0	112.1	D45 L51 Q52 G53	D45-A49 VanDerWaalsContact O-CB 3.26Å; D45-A49 WeakPolarHBondContact O-CB 3.47Å; D45-A49 PolarHBondContact O-N 3.14Å; A49-L51 PolarHBondContact O-N 3.32Å; A49-Q52 PolarHBondContact O-N 3.19Å; A49-Q52 VanDerWaalsContact O-N 3.15Å; A49-G53 PolarHBondContact O-N 3.42Å
50	K	46.8	Very low	37	Very low	149 Å²	149	103.1 Å²	103.1	65%	0.648	64%	0.641	S	S	*	*	H	α-helix	trans	-65.9	-25.3	173.7	-76.7	173.7	-174.7	163.2	0	113	E46	E46-K50 WeakPolarHBondContact O-CB 3.46Å; E46-K50 VanDerWaalsContact O-CG 3.3Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 2.9Å; E46-K50 WeakPolarHBondContact OE1-CE 2.99Å; E46-K50 IonicContact OE1-NZ 2.75Å; E46-K50 PolarHBondContact OE1-NZ 3.34Å
51	L	43.5	Very low	36.4	Very low	148 Å²	148	104.4 Å²	104.4	78%	0.775	66%	0.655	S	S	*	*	H	α-helix	trans	-80.7	-19	173.5	-76.7	163.8	0	0	0	113.5	A47 T48 A49	A47-L51 WeakPolarHBondContact O-CD1 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.49Å; A47-L51 PolarHBondContact O-N 2.81Å; T48-L51 PolarHBondContact O-N 2.78Å; A49-L51 PolarHBondContact O-N 3.32Å
52	Q	38.6	Very low	35.7	Very low	166 Å²	166	102.7 Å²	102.7	78%	0.776	66%	0.66	S	S	*	*	H	α-helix	trans	-109.8	-5.4	-177.5	-69.4	-170.8	-13.4	0	0	114.9	T48 A49	T48-Q52 PolarHBondContact O-N 2.64Å; A49-Q52 PolarHBondContact O-N 3.19Å; A49-Q52 VanDerWaalsContact O-N 3.15Å
53	G	33.5	Very low	35.2	Very low	63 Å²	63	104.6 Å²	104.6	65%	0.649	68%	0.676	S	S	*	*			trans	-112.8	60	-177.7	0	0	0	0	0	114.4	A49	A49-G53 PolarHBondContact O-N 3.42Å
54	S	32.7	Very low	34.2	Very low	124 Å²	124	110.5 Å²	110.5	87%	0.867	70%	0.696	S	S	*	*			trans	-96.4	85.3	166.1	51.5	0	0	0	0	110.1
55	G	28.6	Very low	33.6	Very low	73 Å²	73	112.9 Å²	112.9	75%	0.753	71%	0.713	S	S	*	*			trans	-161.9	92.3	177.5	0	0	0	0	0	113.3
56	G	25	Very low	32.8	Very low	88 Å²	88	117.8 Å²	117.8	91%	0.907	73%	0.733	S	S	*	*			trans	52.6	120	146.4	0	0	0	0	0	120.5
57	G	26.5	Very low	32.7	Very low	84 Å²	84	117.8 Å²	117.8	87%	0.866	74%	0.742	S	S	*	*			trans	166.2	97.1	160.1	0	0	0	0	0	114.2
58	E	26.9	Very low	31.9	Very low	193 Å²	193	119.8 Å²	119.8	90%	0.902	76%	0.759	S	S	*	*			trans	-74.6	177.5	178.1	-103.8	-169.8	164.5	0	0	114.3
59	P	41	Very low	31.1	Very low	110 Å²	110	125.1 Å²	125.1	71%	0.714	78%	0.78	S	S	*	*			trans	-102.8	165.4	-138	40.4	-36.7	0	0	0	115
60	V	28.8	Very low	29.9	Very low	151 Å²	151	128.9 Å²	128.9	92%	0.915	80%	0.796	S	S	*	*			trans	-133	133.9	158.8	-178.6	0	0	0	0	110.8
61	C	21.6	Very low	28.9	Very low	105 Å²	105	125.4 Å²	125.4	71%	0.709	80%	0.803	S	S	*	*			trans	-85.6	155.9	-171.5	-168	0	0	0	0	112.9
62	S	22.5	Very low	28.1	Very low	97 Å²	97	123.8 Å²	123.8	68%	0.678	80%	0.804	S	S	*	*			trans	55.8	123	143.9	57.1	0	0	0	0	120.8
63	T	25.8	Very low	27.7	Very low	140 Å²	140	120.8 Å²	120.8	86%	0.859	81%	0.807	S	S	*	*				-168.3	125.4	114.1	31	0	0	0	0	110.7
64	E	20.6	Very low	27.5	Very low	190 Å²	190	124.1 Å²	124.1	89%	0.888	82%	0.815	S	S	*	*			trans	-73.6	155.2	159.2	-70.6	174.6	144	0	0	110.8
65	P	27.3	Very low	27.3	Very low	127 Å²	127	123 Å²	123	83%	0.825	80%	0.803	S	S	*	*			trans	-135.1	145.6	131.5	31.8	-16.8	0	0	0	114.5
66	E	23.7	Very low	27.5	Very low	183 Å²	183	127.8 Å²	127.8	86%	0.855	81%	0.805	S	S	*	*			trans	-70.9	174.6	172.4	-97.9	-101.9	140.6	0	0	113.9
67	P	41.7	Very low	28	Very low	107 Å²	107	127.3 Å²	127.3	70%	0.695	79%	0.788	S	S	*	*			trans	-106.5	166.6	-144.7	40.7	-35.9	0	0	0	115.8
68	A	26.3	Very low	28.5	Very low	92 Å²	92	126 Å²	126	76%	0.76	77%	0.766	S	S	*	*			trans	-150.3	125.3	163	0	0	0	0	0	113.5
69	E	24	Very low	29.2	Very low	177 Å²	177	119.2 Å²	119.2	83%	0.827	74%	0.74	S	S	*	*			trans	75.6	100	138	-64.5	-168.7	173.8	0	0	122.5
70	T	22.5	Very low	29.4	Very low	139 Å²	139	118.3 Å²	118.3	85%	0.853	73%	0.732	S	S	*	*				34.9	105.1	121.1	58.9	0	0	0	0	118.8
71	G	26.6	Very low	30.4	Very low	76 Å²	76	114.8 Å²	114.8	78%	0.784	70%	0.704	S	S	*	*			trans	-150.7	94.1	165.1	0	0	0	0	0	112.4
72	S	25.7	Very low	31.9	Very low	115 Å²	115	113.5 Å²	113.5	80%	0.804	69%	0.69	S	S	*	*			trans	44	107.6	154.7	-153.2	0	0	0	0	119.5	V74	S72-V74 PolarHBondContact O-N 2.9Å
73	A	30	Very low	33.5	Very low	102 Å²	102	113.4 Å²	113.4	84%	0.843	68%	0.682	S	S	*	*			trans	-62.5	97	171.4	0	0	0	0	0	113.3
74	V	29.1	Very low	35	Very low	134 Å²	134	111.6 Å²	111.6	81%	0.812	67%	0.666	S	S	*	*			trans	-147.4	65.5	150.2	-168.7	0	0	0	0	108.7	S72	S72-V74 PolarHBondContact O-N 2.9Å
75	V	30.2	Very low	36.6	Very low	100 Å²	100	103.1 Å²	103.1	61%	0.606	63%	0.627	S	S	*	*			trans	-130.9	-9.1	175.2	-174.4	0	0	0	0	113.7	S77 S78	V75-S77 VanDerWaalsContact C-N 3.28Å; V75-S77 PolarHBondContact O-N 3.32Å; V75-S77 VanDerWaalsContact O-N 3.12Å; V75-S78 PolarHBondContact O-N 3.09Å; V75-S78 PolarHBondContact O-OG 3.09Å
76	E	31	Very low	38	Very low	173 Å²	173	102.1 Å²	102.1	81%	0.808	61%	0.611	S	S	*	*	H	α-helix	trans	-65.4	-22.3	-173.8	-81.8	-178.7	152.1	0	0	115.4	S79 V80	E76-S79 PolarHBondContact O-OG 3.07Å; E76-V80 WeakPolarHBondContact O-CG2 3.32Å
77	S	36.6	Very low	39.8	Very low	78 Å²	78	101.2 Å²	101.2	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-77.2	-33.6	179.1	103.8	0	0	0	0	112.8	V75 K81	V75-S77 VanDerWaalsContact C-N 3.28Å; V75-S77 PolarHBondContact O-N 3.32Å; V75-S77 VanDerWaalsContact O-N 3.12Å; S77-K81 WeakPolarHBondContact O-CD 3.23Å; S77-K81 WeakPolarHBondContact O-CE 3.21Å; S77-K81 WeakPolarHBondContact O-CG 3Å; S77-K81 PolarHBondContact OG-NZ 3.34Å
78	S	38	Very low	40.7	Very low	58 Å²	58	98.7 Å²	98.7	41%	0.406	58%	0.581	S	S	.	*	H	α-helix	trans	-82.7	-31.3	-174.7	53.9	0	0	0	0	113.5	V75 K81 L82	V75-S78 PolarHBondContact O-N 3.09Å; V75-S78 PolarHBondContact O-OG 3.09Å; S78-K81 PolarHBondContact O-N 3.36Å; S78-L82 PolarHBondContact O-N 3.01Å; S78-L82 VanDerWaalsContact O-N 3.14Å
79	S	40.7	Very low	42.4	Very low	50 Å²	50	94.7 Å²	94.7	35%	0.35	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-51.2	179.2	52.8	0	0	0	0	111.4	E76 K81 L82 D83	E76-S79 PolarHBondContact O-OG 3.07Å; S79-K81 PolarHBondContact O-N 3.41Å; S79-K81 VanDerWaalsContact O-N 3.14Å; S79-L82 PolarHBondContact O-N 3.14Å; S79-L82 VanDerWaalsContact O-N 3.11Å; S79-D83 PolarHBondContact O-N 3.35Å; S79-D83 VanDerWaalsContact O-N 3.12Å
80	V	45.5	Very low	44.1	Very low	90 Å²	90	90.3 Å²	90.3	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-58.4	-32.2	177.5	-177.9	0	0	0	0	111.8	E76	E76-V80 WeakPolarHBondContact O-CG2 3.32Å
81	K	48.9	Very low	45.8	Very low	77 Å²	77	88.1 Å²	88.1	34%	0.335	52%	0.515	S	S	.	.	H	α-helix	trans	-73.1	-37.4	179.1	-72.2	164.7	-179.7	164.9	0	113.1	S77 S78 S79	S77-K81 WeakPolarHBondContact O-CD 3.23Å; S77-K81 WeakPolarHBondContact O-CE 3.21Å; S77-K81 WeakPolarHBondContact O-CG 3Å; S77-K81 PolarHBondContact OG-NZ 3.34Å; S78-K81 PolarHBondContact O-N 3.36Å; S79-K81 PolarHBondContact O-N 3.41Å; S79-K81 VanDerWaalsContact O-N 3.14Å
82	L	53.8	Low	47	Very low	78 Å²	78	84.9 Å²	84.9	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-71.4	-37.5	176.6	-97.1	155	0	0	0	111.7	S78 S79 L84 L85 Q86 T98	S78-L82 PolarHBondContact O-N 3.01Å; S78-L82 VanDerWaalsContact O-N 3.14Å; S79-L82 PolarHBondContact O-N 3.14Å; S79-L82 VanDerWaalsContact O-N 3.11Å; L82-L84 PolarHBondContact O-N 2.91Å; L82-L85 PolarHBondContact O-N 2.65Å; L82-Q86 PolarHBondContact O-N 2.88Å; L82-T98 HydrophobicContact CD2-CG2 3.48Å; L82-T98 VanDerWaalsContact CD2-CG2 3.48Å
83	D	55.8	Low	48.2	Very low	96 Å²	96	87.2 Å²	87.2	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-40	-178.9	-69.6	-18.7	0	0	0	112.9	S79 L85 Q86 K87	S79-D83 PolarHBondContact O-N 3.35Å; S79-D83 VanDerWaalsContact O-N 3.12Å; D83-L85 PolarHBondContact O-N 2.9Å; D83-Q86 PolarHBondContact O-N 3.22Å; D83-K87 WeakPolarHBondContact O-CB 3.23Å; D83-K87 PolarHBondContact O-N 3.13Å
84	L	57.7	Low	49.1	Very low	101 Å²	101	83.9 Å²	83.9	53%	0.529	45%	0.452	S	S	.	.	H	α-helix	trans	-63.8	-41.4	177.9	-76.1	174.1	0	0	0	112.5	L82 R88	L82-L84 PolarHBondContact O-N 2.91Å; L84-R88 WeakPolarHBondContact O-CG 3.43Å; L84-R88 PolarHBondContact O-N 3.03Å; L84-R88 VanDerWaalsContact O-N 3.13Å
85	L	54.8	Low	50	Low	12 Å²	12	82.6 Å²	82.6	6%	0.063	45%	0.449	C	S	.	.	H	α-helix	trans	-63.8	-44.9	174.5	-79.1	165	0	0	0	110.6	L82 D83 K87 R88 F89 V102 C289 V293	L82-L85 PolarHBondContact O-N 2.65Å; D83-L85 PolarHBondContact O-N 2.9Å; L85-K87 PolarHBondContact O-N 3.03Å; L85-R88 PolarHBondContact O-N 3.44Å; L85-F89 HydrophobicContact CD2-CE2 4.15Å; L85-F89 VanDerWaalsContact O-CD2 3.22Å; L85-F89 WeakPolarHBondContact O-CD2 3.25Å; L85-F89 PolarHBondContact O-N 3.44Å; L85-F89 VanDerWaalsContact O-N 3.14Å; L85-V102 HydrophobicContact CD1-CG2 4.12Å; L85-C289 VanDerWaalsContact CD2-SG 3.57Å; L85-V293 HydrophobicContact CD2-CG2 3.45Å; L85-V293 VanDerWaalsContact CD2-CG2 3.45Å; L85-V293 HydrophobicContact CG-CG2 4.25Å
86	Q	55.9	Low	50.8	Low	106 Å²	106	81.1 Å²	81.1	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-42.9	178.9	-173.9	171	-17.6	0	0	112.3	L82 D83 R88 F89 S90	L82-Q86 PolarHBondContact O-N 2.88Å; D83-Q86 PolarHBondContact O-N 3.22Å; Q86-R88 PolarHBondContact O-N 3.49Å; Q86-F89 CarbonylContact O-C 3.6Å; Q86-F89 PolarHBondContact O-N 3.34Å; Q86-S90 PolarHBondContact O-N 3.32Å
87	K	61.3	Low	51.9	Low	165 Å²	165	79.4 Å²	79.4	72%	0.717	43%	0.434	S	S	*	.	H	α-helix	trans	-61.9	-43.4	176.7	-172.4	174.1	-178.2	175.7	0	111.6	D83 L85 F89 S90	D83-K87 WeakPolarHBondContact O-CB 3.23Å; D83-K87 PolarHBondContact O-N 3.13Å; L85-K87 PolarHBondContact O-N 3.03Å; K87-F89 VanDerWaalsContact C-N 3.34Å; K87-F89 PolarHBondContact O-N 2.92Å; K87-S90 WeakPolarHBondContact O-CB 3.46Å; K87-S90 PolarHBondContact O-N 2.81Å; K87-S90 PolarHBondContact O-OG 2.75Å
88	R	60.6	Low	52.6	Low	54 Å²	54	77.4 Å²	77.4	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-63.3	-36.8	178.9	-78.6	-175.4	173.7	-152.6	-2	112.8	L84 L85 Q86 H91 E329 S333	L84-R88 WeakPolarHBondContact O-CG 3.43Å; L84-R88 PolarHBondContact O-N 3.03Å; L84-R88 VanDerWaalsContact O-N 3.13Å; L85-R88 PolarHBondContact O-N 3.44Å; Q86-R88 PolarHBondContact O-N 3.49Å; R88-H91 PolarHBondContact O-CE1 3.26Å; R88-H91 PolarHBondContact O-ND1 2.88Å; R88-H91 VanDerWaalsContact O-ND1 3.08Å; R88-E329 IonicContact NH1-OE2 3.77Å; R88-S333 PolarHBondContact NH1-OG 3.19Å
89	F	61.3	Low	53.4	Low	7 Å²	7	81.2 Å²	81.2	3%	0.031	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	13.7	-179.2	-59.9	-57.9	0	0	0	115.2	L85 Q86 K87 H91 V92 M105 E329 Q332	L85-F89 HydrophobicContact CD2-CE2 4.15Å; L85-F89 VanDerWaalsContact O-CD2 3.22Å; L85-F89 WeakPolarHBondContact O-CD2 3.25Å; L85-F89 PolarHBondContact O-N 3.44Å; L85-F89 VanDerWaalsContact O-N 3.14Å; Q86-F89 CarbonylContact O-C 3.6Å; Q86-F89 PolarHBondContact O-N 3.34Å; K87-F89 VanDerWaalsContact C-N 3.34Å; K87-F89 PolarHBondContact O-N 2.92Å; F89-H91 PolarHBondContact O-N 2.98Å; F89-H91 VanDerWaalsContact O-N 3.12Å; F89-V92 HydrophobicContact CD1-CG2 4.42Å; F89-V92 PolarHBondContact O-N 3.46Å; F89-M105 HydrophobicContact CD1-CE 3.67Å; F89-M105 HydrophobicContact CD1-CG 3.97Å; F89-M105 HydrophobicContact CD1-SD 3.21Å; F89-M105 WeakPolarHBondContact CD1-SD 3.26Å; F89-M105 HydrophobicContact CD2-CG 3.87Å; F89-M105 HydrophobicContact CD2-SD 4.21Å; F89-M105 HydrophobicContact CE1-CE 3.05Å; F89-M105 HydrophobicContact CE1-CG 3.81Å; F89-M105 HydrophobicContact CE1-SD 3.23Å; F89-M105 WeakPolarHBondContact CE1-SD 3.39Å; F89-M105 HydrophobicContact CE2-CB 4.39Å; F89-M105 HydrophobicContact CE2-CG 3.68Å; F89-M105 HydrophobicContact CE2-SD 4.2Å; F89-M105 HydrophobicContact CG-CG 4Å; F89-M105 HydrophobicContact CG-SD 3.74Å; F89-M105 HydrophobicContact CZ-CB 4.22Å; F89-M105 HydrophobicContact CZ-CE 3.55Å; F89-M105 HydrophobicContact CZ-CG 3.64Å; F89-M105 HydrophobicContact CZ-SD 3.74Å; F89-E329 WeakPolarHBondContact CE2-OE1 3.33Å; F89-E329 WeakPolarHBondContact CZ-OE1 3.43Å; F89-Q332 HydrophobicContact CE1-CG 3.79Å; F89-Q332 HydrophobicContact CZ-CG 4.33Å
90	S	61.3	Low	54.2	Low	85 Å²	85	79.7 Å²	79.7	59%	0.594	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.5	179.1	55.3	0	0	0	0	113.8	Q86 K87 V92	Q86-S90 PolarHBondContact O-N 3.32Å; K87-S90 WeakPolarHBondContact O-CB 3.46Å; K87-S90 PolarHBondContact O-N 2.81Å; K87-S90 PolarHBondContact O-OG 2.75Å; S90-V92 VanDerWaalsContact C-N 3.3Å; S90-V92 PolarHBondContact O-N 3.44Å
91	H	57.1	Low	54.8	Low	93 Å²	93	78.3 Å²	78.3	43%	0.431	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.2	177.2	60.8	-80.7	0	0	0	114.3	R88 F89 Q332	R88-H91 PolarHBondContact O-CE1 3.26Å; R88-H91 PolarHBondContact O-ND1 2.88Å; R88-H91 VanDerWaalsContact O-ND1 3.08Å; F89-H91 PolarHBondContact O-N 2.98Å; F89-H91 VanDerWaalsContact O-N 3.12Å; H91-Q332 PolarHBondContact CE1-NE2 3.49Å; H91-Q332 VanDerWaalsContact CE1-NE2 3.29Å; H91-Q332 PolarHBondContact NE2-NE2 3.3Å; H91-Q332 VanDerWaalsContact NE2-NE2 3.19Å
92	V	52.4	Low	55.5	Low	9 Å²	9	76 Å²	76	6%	0.055	40%	0.401	C	S	.	.	S	Bend	trans	-102.4	105.6	-179.5	-168.9	0	0	0	0	109.6	F89 S90 I94 L114	F89-V92 HydrophobicContact CD1-CG2 4.42Å; F89-V92 PolarHBondContact O-N 3.46Å; S90-V92 VanDerWaalsContact C-N 3.3Å; S90-V92 PolarHBondContact O-N 3.44Å; V92-I94 HydrophobicContact CG1-CD1 4.05Å; V92-I94 HydrophobicContact CG1-CG1 3.84Å; V92-I94 PolarHBondContact O-N 2.96Å; V92-L114 HydrophobicContact CG1-CB 3.73Å; V92-L114 HydrophobicContact CG1-CD1 4.2Å; V92-L114 HydrophobicContact CG1-CD2 3.93Å; V92-L114 HydrophobicContact CG1-CG 4.17Å
93	N	50.7	Low	56	Low	163 Å²	163	78.7 Å²	78.7	87%	0.872	41%	0.409	S	S	*	.			trans	-72.6	95.5	175.8	-79.2	-20.6	0	0	0	110.4
94	I	47.8	Very low	56.8	Low	32 Å²	32	74.8 Å²	74.8	16%	0.164	39%	0.388	C	S	.	.			trans	-125.7	129.2	164.7	-41.7	178.1	0	0	0	106.6	V92 D96 K101 H104 L114	V92-I94 HydrophobicContact CG1-CD1 4.05Å; V92-I94 HydrophobicContact CG1-CG1 3.84Å; V92-I94 PolarHBondContact O-N 2.96Å; I94-D96 HydrophobicContact CG2-CB 3.95Å; I94-D96 PolarHBondContact O-N 3.25Å; I94-D96 VanDerWaalsContact O-N 3.15Å; I94-K101 HydrophobicContact CB-CG 4.48Å; I94-K101 HydrophobicContact CD1-CG 4.46Å; I94-K101 WeakPolarHBondContact O-CE 3.34Å; I94-H104 HydrophobicContact CD1-CB 4.32Å; I94-L114 HydrophobicContact CD1-CD1 3.34Å; I94-L114 HydrophobicContact CD1-CD2 3.58Å; I94-L114 HydrophobicContact CD1-CG 4.07Å; I94-L114 HydrophobicContact CG1-CD1 4.27Å; I94-L114 HydrophobicContact CG1-CD2 3.56Å
95	S	48.9	Very low	57.9	Low	108 Å²	108	70.4 Å²	70.4	76%	0.755	37%	0.365	S	S	*	.			trans	-66	-2.5	176.2	40.1	0	0	0	0	114.2
96	D	47.9	Very low	59.3	Low	68 Å²	68	72.6 Å²	72.6	36%	0.364	38%	0.376	S	S	.	.	S	Bend	trans	-82.4	149.3	-178.2	-81.1	-24.3	0	0	0	114	I94 K101 H104	I94-D96 HydrophobicContact CG2-CB 3.95Å; I94-D96 PolarHBondContact O-N 3.25Å; I94-D96 VanDerWaalsContact O-N 3.15Å; D96-K101 VanDerWaalsContact O-CE 3.28Å; D96-K101 WeakPolarHBondContact O-CE 3.41Å; D96-H104 IonicContact OD2-CD2 2.91Å; D96-H104 IonicContact OD2-CE1 3.94Å; D96-H104 IonicContact OD2-NE2 2.85Å; D96-H104 PolarHBondContact OD2-NE2 2.93Å
97	N	52.3	Low	61	Low	138 Å²	138	69.6 Å²	69.6	74%	0.738	36%	0.363	S	S	*	.			trans	-59.4	157.6	171.2	-155	1.9	0	0	0	111.9	E99 G100 K101	N97-E99 VanDerWaalsContact C-N 3.3Å; N97-E99 PolarHBondContact O-N 3.02Å; N97-E99 VanDerWaalsContact O-N 3.09Å; N97-G100 WeakPolarHBondContact O-CA 3.45Å; N97-G100 PolarHBondContact O-N 2.86Å; N97-K101 PolarHBondContact O-N 2.63Å
98	T	52.3	Low	62.4	Low	35 Å²	35	62.4 Å²	62.4	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-53.9	-37.5	-166.8	-44.9	0	0	0	0	114.6	L82 G100 K101 V102	L82-T98 HydrophobicContact CD2-CG2 3.48Å; L82-T98 VanDerWaalsContact CD2-CG2 3.48Å; T98-G100 VanDerWaalsContact C-N 3.31Å; T98-G100 PolarHBondContact O-N 3.24Å; T98-K101 PolarHBondContact O-N 3.45Å; T98-V102 WeakPolarHBondContact O-CG2 3.39Å; T98-V102 PolarHBondContact O-N 3.38Å; T98-V102 VanDerWaalsContact O-N 3.09Å
99	E	55.5	Low	64	Low	138 Å²	138	61.5 Å²	61.5	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-35.8	174.1	-79.3	-163.6	-171.9	0	0	113.6	N97 K103	N97-E99 VanDerWaalsContact C-N 3.3Å; N97-E99 PolarHBondContact O-N 3.02Å; N97-E99 VanDerWaalsContact O-N 3.09Å; E99-K103 WeakPolarHBondContact O-CG 3.33Å; E99-K103 PolarHBondContact O-N 3Å; E99-K103 VanDerWaalsContact O-N 3.11Å; E99-K103 IonicContact OE2-NZ 2.98Å; E99-K103 PolarHBondContact OE2-NZ 2.86Å
100	G	56.8	Low	65.4	Low	19 Å²	19	62.3 Å²	62.3	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-50.2	175.6	0	0	0	0	0	110.4	N97 T98 V102 K103 H104	N97-G100 WeakPolarHBondContact O-CA 3.45Å; N97-G100 PolarHBondContact O-N 2.86Å; T98-G100 VanDerWaalsContact C-N 3.31Å; T98-G100 PolarHBondContact O-N 3.24Å; G100-V102 VanDerWaalsContact C-N 3.34Å; G100-V102 PolarHBondContact O-N 3.44Å; G100-K103 PolarHBondContact O-N 3.32Å; G100-K103 VanDerWaalsContact O-N 3.13Å; G100-H104 VanDerWaalsContact C-CD2 3.44Å; G100-H104 PolarHBondContact O-CD2 2.74Å; G100-H104 PolarHBondContact O-N 3.19Å
101	K	57.3	Low	66.9	Low	60 Å²	60	58.2 Å²	58.2	26%	0.261	31%	0.308	S	S	.	.	H	α-helix	trans	-53.7	-48.4	176.1	-63.7	-170.9	179.7	-172.5	0	112.1	I94 D96 N97 T98 K103 H104 M105	I94-K101 HydrophobicContact CB-CG 4.48Å; I94-K101 HydrophobicContact CD1-CG 4.46Å; I94-K101 WeakPolarHBondContact O-CE 3.34Å; D96-K101 VanDerWaalsContact O-CE 3.28Å; D96-K101 WeakPolarHBondContact O-CE 3.41Å; N97-K101 PolarHBondContact O-N 2.63Å; T98-K101 PolarHBondContact O-N 3.45Å; K101-K103 PolarHBondContact O-N 3.39Å; K101-H104 WeakPolarHBondContact O-CB 3.3Å; K101-H104 PolarHBondContact O-N 2.75Å; K101-M105 WeakPolarHBondContact O-CG 3.11Å; K101-M105 PolarHBondContact O-N 3.27Å
102	V	63.5	Low	68.6	Low	29 Å²	29	55.8 Å²	55.8	18%	0.176	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-42.8	179	172	0	0	0	0	111.8	L85 T98 G100 H104 M105 M106 C289	L85-V102 HydrophobicContact CD1-CG2 4.12Å; T98-V102 WeakPolarHBondContact O-CG2 3.39Å; T98-V102 PolarHBondContact O-N 3.38Å; T98-V102 VanDerWaalsContact O-N 3.09Å; G100-V102 VanDerWaalsContact C-N 3.34Å; G100-V102 PolarHBondContact O-N 3.44Å; V102-H104 VanDerWaalsContact C-N 3.31Å; V102-H104 PolarHBondContact O-N 3.33Å; V102-M105 PolarHBondContact O-N 3.12Å; V102-M106 WeakPolarHBondContact O-CG 3.5Å; V102-M106 PolarHBondContact O-N 3.35Å; V102-C289 HydrophobicContact CG1-CB 3.56Å
103	K	65.5	Low	70.5	Confident	134 Å²	134	60.4 Å²	60.4	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-64.6	-36.1	176.6	-75	169.7	-174.9	152.5	0	112.1	E99 G100 K101 M106	E99-K103 WeakPolarHBondContact O-CG 3.33Å; E99-K103 PolarHBondContact O-N 3Å; E99-K103 VanDerWaalsContact O-N 3.11Å; E99-K103 IonicContact OE2-NZ 2.98Å; E99-K103 PolarHBondContact OE2-NZ 2.86Å; G100-K103 PolarHBondContact O-N 3.32Å; G100-K103 VanDerWaalsContact O-N 3.13Å; K101-K103 PolarHBondContact O-N 3.39Å; K103-M106 PolarHBondContact O-N 3.14Å
104	H	73	Confident	72.4	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.069	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-43.7	176.9	-64.6	-34.3	0	0	0	112.3	Y32 I94 D96 G100 K101 V102 M106 D107 V110 A111 L114	Y32-H104 AromaticContact CE1-CE1 3.71Å; Y32-H104 AromaticContact CZ-CE1 3.77Å; Y32-H104 AromaticContact CZ-ND1 3.77Å; Y32-H104 PolarHBondContact OH-CE1 3.21Å; Y32-H104 PolarHBondContact OH-ND1 2.93Å; I94-H104 HydrophobicContact CD1-CB 4.32Å; D96-H104 IonicContact OD2-CD2 2.91Å; D96-H104 IonicContact OD2-CE1 3.94Å; D96-H104 IonicContact OD2-NE2 2.85Å; D96-H104 PolarHBondContact OD2-NE2 2.93Å; G100-H104 VanDerWaalsContact C-CD2 3.44Å; G100-H104 PolarHBondContact O-CD2 2.74Å; G100-H104 PolarHBondContact O-N 3.19Å; K101-H104 WeakPolarHBondContact O-CB 3.3Å; K101-H104 PolarHBondContact O-N 2.75Å; V102-H104 VanDerWaalsContact C-N 3.31Å; V102-H104 PolarHBondContact O-N 3.33Å; H104-M106 PolarHBondContact O-N 3.37Å; H104-D107 PolarHBondContact O-N 2.79Å; H104-V110 HydrophobicContact CB-CG1 3.65Å; H104-A111 PolarHBondContact O-N 3.12Å; H104-L114 HydrophobicContact CB-CD1 4.15Å
105	M	79.8	Confident	74.4	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-25	178.4	-64.5	-62.1	-33	0	0	113.6	F89 K101 V102 A111 M115 A328	F89-M105 HydrophobicContact CD1-CE 3.67Å; F89-M105 HydrophobicContact CD1-CG 3.97Å; F89-M105 HydrophobicContact CD1-SD 3.21Å; F89-M105 WeakPolarHBondContact CD1-SD 3.26Å; F89-M105 HydrophobicContact CD2-CG 3.87Å; F89-M105 HydrophobicContact CD2-SD 4.21Å; F89-M105 HydrophobicContact CE1-CE 3.05Å; F89-M105 HydrophobicContact CE1-CG 3.81Å; F89-M105 HydrophobicContact CE1-SD 3.23Å; F89-M105 WeakPolarHBondContact CE1-SD 3.39Å; F89-M105 HydrophobicContact CE2-CB 4.39Å; F89-M105 HydrophobicContact CE2-CG 3.68Å; F89-M105 HydrophobicContact CE2-SD 4.2Å; F89-M105 HydrophobicContact CG-CG 4Å; F89-M105 HydrophobicContact CG-SD 3.74Å; F89-M105 HydrophobicContact CZ-CB 4.22Å; F89-M105 HydrophobicContact CZ-CE 3.55Å; F89-M105 HydrophobicContact CZ-CG 3.64Å; F89-M105 HydrophobicContact CZ-SD 3.74Å; K101-M105 WeakPolarHBondContact O-CG 3.11Å; K101-M105 PolarHBondContact O-N 3.27Å; V102-M105 PolarHBondContact O-N 3.12Å; M105-A111 HydrophobicContact CE-CB 4.17Å; M105-M115 HydrophobicContact CE-SD 3.74Å; M105-A328 HydrophobicContact CE-CB 3.3Å
106	M	85.2	Confident	76.4	Confident	59 Å²	59	52.3 Å²	52.3	29%	0.291	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.2	-178	-68.7	-71.1	-66.7	0	0	113.6	V102 K103 H104 P108 T287 C289 Q292	V102-M106 WeakPolarHBondContact O-CG 3.5Å; V102-M106 PolarHBondContact O-N 3.35Å; K103-M106 PolarHBondContact O-N 3.14Å; H104-M106 PolarHBondContact O-N 3.37Å; M106-P108 WeakPolarHBondContact O-CD 3.31Å; M106-T287 WeakPolarHBondContact CE-O 3.26Å; M106-C289 HydrophobicContact CE-CB 4.43Å; M106-C289 HydrophobicContact CG-CB 3.94Å; M106-C289 HydrophobicContact SD-CB 3.51Å; M106-C289 VanDerWaalsContact SD-CB 3.51Å; M106-Q292 PolarHBondContact SD-NE2 3.13Å
107	D	90	Very high	78.3	Confident	43 Å²	43	58.7 Å²	58.7	23%	0.23	29%	0.286	C	S	.	.	S	Bend	trans	-97.6	112.3	169.8	-171.2	-36.5	0	0	0	109	H104 E109 V110 A111	H104-D107 PolarHBondContact O-N 2.79Å; D107-E109 PolarHBondContact O-N 2.95Å; D107-E109 VanDerWaalsContact O-N 3.11Å; D107-E109 PolarHBondContact OD1-N 3.39Å; D107-V110 HydrophobicContact CB-CB 4.18Å; D107-V110 HydrophobicContact CB-CG2 3.92Å; D107-V110 PolarHBondContact O-N 3.11Å; D107-V110 VanDerWaalsContact O-N 3.08Å; D107-A111 WeakPolarHBondContact O-CB 3.2Å; D107-A111 PolarHBondContact O-N 2.83Å
108	P	92.6	Very high	80.1	Confident	14 Å²	14	55.9 Å²	55.9	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-29	-178.3	-29.3	37	0	0	0	115.1	M106 W112 F278 L313 R324	M106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-W112 WeakPolarHBondContact O-CB 3.44Å; P108-W112 PolarHBondContact O-N 2.86Å; P108-F278 HydrophobicContact CG-CD1 4.41Å; P108-F278 HydrophobicContact CG-CE1 3.58Å; P108-F278 HydrophobicContact CG-CZ 4.22Å; P108-L313 HydrophobicContact CB-CD1 4.03Å; P108-L313 VanDerWaalsContact O-CD1 3.31Å; P108-L313 WeakPolarHBondContact O-CD1 3.15Å; P108-R324 HydrophobicContact CB-CB 3.9Å
109	E	92.5	Very high	81.9	Confident	34 Å²	34	55.7 Å²	55.7	16%	0.159	27%	0.274	C	S	.	.	H	α-helix	trans	-72.7	-43.8	176.1	-64.2	-67.4	135.5	0	0	112.3	K25 D107 W112 E113 V323 R324	K25-E109 IonicContact NZ-OE1 3.75Å; K25-E109 PolarHBondContact NZ-OE1 2.74Å; K25-E109 IonicContact NZ-OE2 2.63Å; D107-E109 PolarHBondContact O-N 2.95Å; D107-E109 VanDerWaalsContact O-N 3.11Å; D107-E109 PolarHBondContact OD1-N 3.39Å; E109-W112 WeakPolarHBondContact O-CB 3.36Å; E109-W112 PolarHBondContact O-N 3.41Å; E109-E113 WeakPolarHBondContact O-CG 3.39Å; E109-E113 PolarHBondContact O-N 3.1Å; E109-V323 WeakPolarHBondContact OE1-CA 3.23Å; E109-R324 PolarHBondContact OE1-N 2.78Å
110	V	92.1	Very high	83.7	Confident	24 Å²	24	52.7 Å²	52.7	15%	0.145	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-47.5	-177.3	-177.1	0	0	0	0	107.7	Y32 H104 D107 W112 E113 L114	Y32-V110 HydrophobicContact CD2-CG2 4.34Å; Y32-V110 HydrophobicContact CE2-CG2 3.83Å; H104-V110 HydrophobicContact CB-CG1 3.65Å; D107-V110 HydrophobicContact CB-CB 4.18Å; D107-V110 HydrophobicContact CB-CG2 3.92Å; D107-V110 PolarHBondContact O-N 3.11Å; D107-V110 VanDerWaalsContact O-N 3.08Å; V110-W112 VanDerWaalsContact C-N 3.27Å; V110-W112 PolarHBondContact O-N 3.47Å; V110-E113 PolarHBondContact O-N 2.71Å; V110-L114 HydrophobicContact CG1-CD1 4.04Å; V110-L114 WeakPolarHBondContact O-CD1 3.26Å; V110-L114 WeakPolarHBondContact O-CG 3.49Å; V110-L114 PolarHBondContact O-N 2.98Å; V110-L114 VanDerWaalsContact O-N 3.15Å
111	A	91.6	Very high	85.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.2	-41.4	172.7	0	0	0	0	0	112.3	H104 M105 D107 L114 M115 L313 A328	H104-A111 PolarHBondContact O-N 3.12Å; M105-A111 HydrophobicContact CE-CB 4.17Å; D107-A111 WeakPolarHBondContact O-CB 3.2Å; D107-A111 PolarHBondContact O-N 2.83Å; A111-L114 PolarHBondContact O-N 3.42Å; A111-M115 WeakPolarHBondContact O-CB 3.4Å; A111-M115 VanDerWaalsContact O-CG 3.27Å; A111-M115 WeakPolarHBondContact O-CG 2.96Å; A111-M115 PolarHBondContact O-N 2.82Å; A111-L313 HydrophobicContact CB-CD2 3.64Å; A111-A328 HydrophobicContact CB-CB 3.89Å
112	W	93.6	Very high	87.4	Confident	42 Å²	42	56.4 Å²	56.4	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-48.2	177.2	173.6	-108.5	0	0	0	112.6	P108 E109 V110 L114 M115 K116 L119 L313 R324	P108-W112 WeakPolarHBondContact O-CB 3.44Å; P108-W112 PolarHBondContact O-N 2.86Å; E109-W112 WeakPolarHBondContact O-CB 3.36Å; E109-W112 PolarHBondContact O-N 3.41Å; V110-W112 VanDerWaalsContact C-N 3.27Å; V110-W112 PolarHBondContact O-N 3.47Å; W112-L114 PolarHBondContact O-N 3.39Å; W112-M115 PolarHBondContact O-N 3.15Å; W112-M115 VanDerWaalsContact O-N 3.16Å; W112-K116 HydrophobicContact CD2-CB 3.76Å; W112-K116 VanDerWaalsContact CE2-CB 3.46Å; W112-K116 HydrophobicContact CE3-CB 3.99Å; W112-K116 HydrophobicContact CG-CB 4.44Å; W112-K116 HydrophobicContact CH2-CB 3.72Å; W112-K116 HydrophobicContact CZ2-CB 3.46Å; W112-K116 VanDerWaalsContact CZ2-CB 3.46Å; W112-K116 HydrophobicContact CZ2-CD 4.36Å; W112-K116 HydrophobicContact CZ3-CB 3.97Å; W112-K116 WeakPolarHBondContact O-CB 3.49Å; W112-K116 WeakPolarHBondContact O-CG 3.4Å; W112-K116 PolarHBondContact O-N 3.21Å; W112-L119 HydrophobicContact CE3-CD1 4.36Å; W112-L119 HydrophobicContact CZ3-CD1 3.98Å; W112-L313 HydrophobicContact CB-CD1 4.23Å; W112-R324 VanDerWaalsContact CZ2-NH2 3.25Å
113	E	92.6	Very high	89	Confident	106 Å²	106	60.1 Å²	60.1	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-32.9	179.6	-72.1	-59.2	115.1	0	0	112.3	E109 V110 K116	E109-E113 WeakPolarHBondContact O-CG 3.39Å; E109-E113 PolarHBondContact O-N 3.1Å; V110-E113 PolarHBondContact O-N 2.71Å; E113-K116 IonicContact OE1-NZ 3.74Å; E113-K116 PolarHBondContact OE1-NZ 2.97Å; E113-K116 WeakPolarHBondContact OE2-CE 3.36Å; E113-K116 IonicContact OE2-NZ 2.8Å; E113-K116 PolarHBondContact OE2-NZ 2.94Å
114	L	89.9	Confident	90.5	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.288	29%	0.289	S	S	.	.	H	α-helix	trans	-74.7	-37.8	177.1	-67.9	166.5	0	0	0	113.6	V92 I94 H104 V110 A111 W112	V92-L114 HydrophobicContact CG1-CB 3.73Å; V92-L114 HydrophobicContact CG1-CD1 4.2Å; V92-L114 HydrophobicContact CG1-CD2 3.93Å; V92-L114 HydrophobicContact CG1-CG 4.17Å; I94-L114 HydrophobicContact CD1-CD1 3.34Å; I94-L114 HydrophobicContact CD1-CD2 3.58Å; I94-L114 HydrophobicContact CD1-CG 4.07Å; I94-L114 HydrophobicContact CG1-CD1 4.27Å; I94-L114 HydrophobicContact CG1-CD2 3.56Å; H104-L114 HydrophobicContact CB-CD1 4.15Å; V110-L114 HydrophobicContact CG1-CD1 4.04Å; V110-L114 WeakPolarHBondContact O-CD1 3.26Å; V110-L114 WeakPolarHBondContact O-CG 3.49Å; V110-L114 PolarHBondContact O-N 2.98Å; V110-L114 VanDerWaalsContact O-N 3.15Å; A111-L114 PolarHBondContact O-N 3.42Å; W112-L114 PolarHBondContact O-N 3.39Å
115	M	89.9	Confident	91.6	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-102.2	-19.6	-170.3	-63.5	-179	66.5	0	0	114.2	M105 A111 W112 K117 S118 L119 L313 A328 L331	M105-M115 HydrophobicContact CE-SD 3.74Å; A111-M115 WeakPolarHBondContact O-CB 3.4Å; A111-M115 VanDerWaalsContact O-CG 3.27Å; A111-M115 WeakPolarHBondContact O-CG 2.96Å; A111-M115 PolarHBondContact O-N 2.82Å; W112-M115 PolarHBondContact O-N 3.15Å; W112-M115 VanDerWaalsContact O-N 3.16Å; M115-K117 PolarHBondContact O-N 3.34Å; M115-S118 PolarHBondContact O-N 2.69Å; M115-S118 PolarHBondContact O-OG 2.96Å; M115-L119 HydrophobicContact CB-CD1 3.96Å; M115-L119 HydrophobicContact CB-CG 4.34Å; M115-L119 HydrophobicContact CE-CD2 4.45Å; M115-L119 WeakPolarHBondContact O-CG 3.13Å; M115-L119 PolarHBondContact O-N 3.13Å; M115-L313 HydrophobicContact SD-CD2 3.87Å; M115-A328 HydrophobicContact SD-CB 4.42Å; M115-L331 HydrophobicContact CE-CD2 3.5Å; M115-L331 HydrophobicContact CE-CG 4.43Å; M115-L331 HydrophobicContact SD-CD2 4.38Å
116	K	90.1	Very high	92.4	Very high	75 Å²	75	66.3 Å²	66.3	33%	0.326	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.3	-169.4	65.6	-174.7	-179.5	-175.8	0	114.8	W112 E113 S118	W112-K116 HydrophobicContact CD2-CB 3.76Å; W112-K116 VanDerWaalsContact CE2-CB 3.46Å; W112-K116 HydrophobicContact CE3-CB 3.99Å; W112-K116 HydrophobicContact CG-CB 4.44Å; W112-K116 HydrophobicContact CH2-CB 3.72Å; W112-K116 HydrophobicContact CZ2-CB 3.46Å; W112-K116 VanDerWaalsContact CZ2-CB 3.46Å; W112-K116 HydrophobicContact CZ2-CD 4.36Å; W112-K116 HydrophobicContact CZ3-CB 3.97Å; W112-K116 WeakPolarHBondContact O-CB 3.49Å; W112-K116 WeakPolarHBondContact O-CG 3.4Å; W112-K116 PolarHBondContact O-N 3.21Å; E113-K116 IonicContact OE1-NZ 3.74Å; E113-K116 PolarHBondContact OE1-NZ 2.97Å; E113-K116 WeakPolarHBondContact OE2-CE 3.36Å; E113-K116 IonicContact OE2-NZ 2.8Å; E113-K116 PolarHBondContact OE2-NZ 2.94Å; K116-S118 VanDerWaalsContact C-N 3.33Å
117	K	88.6	Confident	92.8	Very high	202 Å²	202	65 Å²	65	88%	0.878	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.2	179.1	-67.8	-175.8	179.4	178.4	0	113	M115	M115-K117 PolarHBondContact O-N 3.34Å
118	S	89.5	Confident	92.9	Very high	78 Å²	78	67.3 Å²	67.3	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-2.2	179.8	61.6	0	0	0	0	113.3	M115 K116	M115-S118 PolarHBondContact O-N 2.69Å; M115-S118 PolarHBondContact O-OG 2.96Å; K116-S118 VanDerWaalsContact C-N 3.33Å
119	L	91.6	Very high	92.9	Very high	31 Å²	31	67.6 Å²	67.6	16%	0.162	35%	0.348	C	S	.	.			trans	-99.2	128.5	-179.5	-66.1	174.3	0	0	0	110.8	W112 M115 V121 L331	W112-L119 HydrophobicContact CE3-CD1 4.36Å; W112-L119 HydrophobicContact CZ3-CD1 3.98Å; M115-L119 HydrophobicContact CB-CD1 3.96Å; M115-L119 HydrophobicContact CB-CG 4.34Å; M115-L119 HydrophobicContact CE-CD2 4.45Å; M115-L119 WeakPolarHBondContact O-CG 3.13Å; M115-L119 PolarHBondContact O-N 3.13Å; L119-V121 HydrophobicContact CB-CG2 4.21Å; L119-L331 HydrophobicContact CD1-CD2 3.78Å; L119-L331 HydrophobicContact CD2-CD1 4.46Å; L119-L331 HydrophobicContact CD2-CD2 3.86Å; L119-L331 HydrophobicContact CG-CD2 4.48Å
120	V	92.7	Very high	92.8	Very high	76 Å²	76	71.1 Å²	71.1	46%	0.461	37%	0.368	S	S	.	.			trans	-89.3	117.2	167.1	179.2	0	0	0	0	107.7	E122 Y315 N357	V120-E122 HydrophobicContact CG1-CG 3.99Å; V120-Y315 PolarHBondContact O-OH 2.85Å; V120-N357 HydrophobicContact CB-CB 4.48Å; V120-N357 WeakPolarHBondContact O-CB 3.38Å
121	V	94.8	Very high	92.8	Very high	49 Å²	49	73 Å²	73	30%	0.297	38%	0.375	S	S	.	.			trans	-130.1	94.3	179.1	-174.6	0	0	0	0	108.3	L119 Y315 Y355	L119-V121 HydrophobicContact CB-CG2 4.21Å; V121-Y315 HydrophobicContact CB-CE1 4.25Å; V121-Y315 HydrophobicContact CG1-CD1 3.92Å; V121-Y315 HydrophobicContact CG1-CE1 4.07Å; V121-Y315 HydrophobicContact CG2-CD1 4.33Å; V121-Y315 HydrophobicContact CG2-CE1 3.87Å; V121-Y355 HydrophobicContact CG1-CD1 4.1Å
122	E	96.6	Very high	92.7	Very high	108 Å²	108	78 Å²	78	51%	0.505	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.9	179.9	-67.1	175.5	179.2	0	0	109.5	V120 Y355 T356	V120-E122 HydrophobicContact CG1-CG 3.99Å; E122-Y355 CarbonylContact O-C 3.38Å; E122-Y355 WeakPolarHBondContact O-CA 3.47Å; E122-T356 HydrophobicContact CB-CG2 3.9Å; E122-T356 PolarHBondContact N-O 3.37Å; E122-T356 PolarHBondContact O-N 3.49Å
123	P	97.1	Very high	92.5	Very high	107 Å²	107	82.3 Å²	82.3	70%	0.695	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	140.6	173.9	29.2	-33.1	0	0	0	110.5	Y355	P123-Y355 HydrophobicContact CB-CD1 4.41Å
124	I	97.4	Very high	92.3	Very high	43 Å²	43	81.6 Å²	81.6	22%	0.221	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.1	172.6	-65.3	169.8	0	0	0	108.5	R354 T356 Q361	I124-R354 HydrophobicContact CB-CB 3.81Å; I124-R354 HydrophobicContact CG2-CB 4.29Å; I124-R354 PolarHBondContact N-O 3.45Å; I124-T356 HydrophobicContact CD1-CG2 3.7Å; I124-T356 HydrophobicContact CG1-CG2 3.8Å; I124-Q361 HydrophobicContact CD1-CB 4.34Å; I124-Q361 HydrophobicContact CD1-CG 3.76Å
125	E	96	Very high	92.3	Very high	177 Å²	177	87.4 Å²	87.4	83%	0.827	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-60.3	139.2	173.8	-170.8	172.1	-168.2	0	0	111.7	R354	E125-R354 PolarHBondContact O-NH1 3.34Å
126	M	95.4	Very high	92.3	Very high	67 Å²	67	88.4 Å²	88.4	33%	0.33	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-72.1	136.4	178.5	-63.4	-62.4	-73.1	0	0	109.7	Y352 R354 V379	M126-Y352 HydrophobicContact CE-CE1 3.88Å; M126-Y352 HydrophobicContact CE-CE2 4.45Å; M126-Y352 WeakPolarHBondContact CE-OH 3.23Å; M126-R354 HydrophobicContact SD-CB 4.26Å; M126-R354 HydrophobicContact SD-CG 3.74Å; M126-V379 HydrophobicContact CE-CB 4.08Å; M126-V379 HydrophobicContact CE-CG1 3.58Å; M126-V379 HydrophobicContact CE-CG2 3.63Å; M126-V379 HydrophobicContact SD-CG1 4.42Å
127	T	93.7	Very high	92.5	Very high	30 Å²	30	88.2 Å²	88.2	18%	0.184	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-74.5	132.5	171.3	-58	0	0	0	0	108.5	V129 E131 R354 I380	T127-V129 PolarHBondContact O-N 3.35Å; T127-E131 HydrophobicContact CG2-CB 4.17Å; T127-E131 VanDerWaalsContact CG2-OE2 3.23Å; T127-E131 WeakPolarHBondContact CG2-OE2 3.29Å; T127-R354 PolarHBondContact OG1-NH1 2.94Å; T127-I380 HydrophobicContact CG2-CD1 3.7Å; T127-I380 HydrophobicContact CG2-CG1 3.68Å
128	D	92.7	Very high	92.8	Very high	92 Å²	92	78.7 Å²	78.7	49%	0.492	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-62.8	132.3	176.9	-171	-64.4	0	0	0	109.7	N130 E131 I380	D128-N130 PolarHBondContact O-N 3.06Å; D128-N130 WeakPolarHBondContact OD1-CA 3.48Å; D128-N130 WeakPolarHBondContact OD1-CB 3.45Å; D128-N130 PolarHBondContact OD1-N 2.86Å; D128-N130 PolarHBondContact OD1-ND2 2.92Å; D128-E131 HydrophobicContact CB-CB 4.48Å; D128-E131 VanDerWaalsContact O-CB 3.26Å; D128-E131 WeakPolarHBondContact O-CB 3.5Å; D128-E131 PolarHBondContact O-N 3.38Å; D128-I380 WeakPolarHBondContact O-CD1 3.38Å
129	V	91.6	Very high	93.1	Very high	21 Å²	21	75.6 Å²	75.6	13%	0.127	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.2	-177.8	-63.7	0	0	0	0	113.9	T127 P156 E377	T127-V129 PolarHBondContact O-N 3.35Å; V129-P156 HydrophobicContact CB-CB 4.24Å; V129-P156 HydrophobicContact CB-CG 4.4Å; V129-P156 HydrophobicContact CG1-CG 4.46Å; V129-E377 HydrophobicContact CG1-CB 4.29Å
130	N	91	Very high	93.5	Very high	108 Å²	108	74.1 Å²	74.1	58%	0.578	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	1.8	177.2	-42.3	-76.5	0	0	0	112.5	D128	D128-N130 PolarHBondContact O-N 3.06Å; D128-N130 WeakPolarHBondContact OD1-CA 3.48Å; D128-N130 WeakPolarHBondContact OD1-CB 3.45Å; D128-N130 PolarHBondContact OD1-N 2.86Å; D128-N130 PolarHBondContact OD1-ND2 2.92Å
131	E	91.5	Very high	93.7	Very high	63 Å²	63	70.5 Å²	70.5	29%	0.294	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.6	130.7	175.8	-171.6	173.3	149	0	0	109.8	T127 D128 K134 R139	T127-E131 HydrophobicContact CG2-CB 4.17Å; T127-E131 VanDerWaalsContact CG2-OE2 3.23Å; T127-E131 WeakPolarHBondContact CG2-OE2 3.29Å; D128-E131 HydrophobicContact CB-CB 4.48Å; D128-E131 VanDerWaalsContact O-CB 3.26Å; D128-E131 WeakPolarHBondContact O-CB 3.5Å; D128-E131 PolarHBondContact O-N 3.38Å; E131-K134 WeakPolarHBondContact OE1-CE 3.07Å; E131-K134 IonicContact OE1-NZ 2.63Å; E131-K134 PolarHBondContact OE1-NZ 3.05Å; E131-R139 PolarHBondContact O-NH1 3.44Å
132	P	91.4	Very high	93.9	Very high	106 Å²	106	68.1 Å²	68.1	69%	0.688	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-58.6	152.5	179.1	-25.8	34.6	0	0	0	113.3	K134 R139	P132-K134 PolarHBondContact O-N 3.04Å; P132-R139 PolarHBondContact O-NH2 2.82Å
133	R	87.9	Confident	94	Very high	132 Å²	132	63 Å²	63	50%	0.498	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67.5	130.8	175.6	-169.1	178.9	70.8	179.7	-2.5	110.5	D159	R133-D159 IonicContact NH1-OD1 2.65Å; R133-D159 PolarHBondContact NH1-OD1 3.11Å; R133-D159 IonicContact NH1-OD2 2.78Å
134	K	89.4	Confident	94.1	Very high	90 Å²	90	58 Å²	58	39%	0.391	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-78.6	132.1	175.6	-66.5	172.4	-177.4	149.1	0	110.4	E131 P132 Y137 D382	E131-K134 WeakPolarHBondContact OE1-CE 3.07Å; E131-K134 IonicContact OE1-NZ 2.63Å; E131-K134 PolarHBondContact OE1-NZ 3.05Å; P132-K134 PolarHBondContact O-N 3.04Å; K134-Y137 HydrophobicContact CB-CD2 3.48Å; K134-Y137 VanDerWaalsContact CB-CD2 3.48Å; K134-Y137 HydrophobicContact CB-CE2 4.05Å; K134-Y137 HydrophobicContact CB-CG 3.96Å; K134-Y137 PolarHBondContact O-N 3.32Å; K134-D382 WeakPolarHBondContact CD-OD2 3.44Å; K134-D382 IonicContact NZ-OD2 2.8Å
135	E	88.8	Confident	94.1	Very high	178 Å²	178	56.4 Å²	56.4	83%	0.832	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	139.7	174.2	-69.4	-166.3	158.7	0	0	111.4	Y137	E135-Y137 VanDerWaalsContact C-N 3.28Å; E135-Y137 VanDerWaalsContact O-CD2 3.26Å; E135-Y137 WeakPolarHBondContact O-CD2 3.47Å; E135-Y137 PolarHBondContact O-N 3.36Å
136	G	90.9	Very high	94.2	Very high	24 Å²	24	48 Å²	48	25%	0.247	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	12.1	-176.3	0	0	0	0	0	114.2	L385	G136-L385 WeakPolarHBondContact O-CB 3.29Å; G136-L385 PolarHBondContact O-N 3.38Å
137	Y	94.1	Very high	94.2	Very high	71 Å²	71	45.2 Å²	45.2	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.3	174.7	-67.6	-106.7	0	0	0	111.4	K134 E135 D382 F383 K384	K134-Y137 HydrophobicContact CB-CD2 3.48Å; K134-Y137 VanDerWaalsContact CB-CD2 3.48Å; K134-Y137 HydrophobicContact CB-CE2 4.05Å; K134-Y137 HydrophobicContact CB-CG 3.96Å; K134-Y137 PolarHBondContact O-N 3.32Å; E135-Y137 VanDerWaalsContact C-N 3.28Å; E135-Y137 VanDerWaalsContact O-CD2 3.26Å; E135-Y137 WeakPolarHBondContact O-CD2 3.47Å; E135-Y137 PolarHBondContact O-N 3.36Å; Y137-D382 HydrophobicContact CD1-CB 3.64Å; Y137-D382 HydrophobicContact CE1-CB 4.5Å; Y137-D382 HydrophobicContact CG-CB 4.02Å; Y137-F383 CarbonylContact C-O 3.58Å; Y137-F383 VanDerWaalsContact CA-O 3.27Å; Y137-F383 WeakPolarHBondContact CA-O 3.49Å; Y137-K384 HydrophobicContact CD1-CB 3.85Å; Y137-K384 HydrophobicContact CD1-CG 4.4Å; Y137-K384 VanDerWaalsContact CD1-N 3.35Å; Y137-K384 HydrophobicContact CE1-CB 3.45Å; Y137-K384 VanDerWaalsContact CE1-CB 3.45Å; Y137-K384 HydrophobicContact CE1-CD 4.42Å; Y137-K384 HydrophobicContact CE1-CG 3.85Å; Y137-K384 HydrophobicContact CE2-CG 4.38Å
138	C	94.9	Very high	94.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.9	165.6	-174.9	0	0	0	0	108.7	F140 N266 I268 F383 L385	C138-F140 HydrophobicContact CB-CE2 4.08Å; C138-N266 PolarHBondContact SG-ND2 2.78Å; C138-N266 VanDerWaalsContact SG-ND2 3.37Å; C138-I268 HydrophobicContact CB-CD1 4.06Å; C138-F383 HydrophobicContact CB-CB 4.41Å; C138-F383 PolarHBondContact N-O 3.13Å; C138-F383 PolarHBondContact O-N 3.41Å; C138-L385 HydrophobicContact CB-CD1 3.88Å; C138-L385 HydrophobicContact CB-CD2 4.12Å; C138-L385 HydrophobicContact CB-CG 4.03Å
139	R	96.6	Very high	94.5	Very high	13 Å²	13	44.8 Å²	44.8	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.1	177.5	179	155.4	-68.6	171.1	-2.8	111.2	E131 P132 D157 D159 V160 D382	E131-R139 PolarHBondContact O-NH1 3.44Å; P132-R139 PolarHBondContact O-NH2 2.82Å; R139-D157 WeakPolarHBondContact CD-O 3.31Å; R139-D159 PolarHBondContact N-OD2 3.46Å; R139-D159 PolarHBondContact O-N 2.8Å; R139-V160 PolarHBondContact O-N 3.08Å; R139-V160 VanDerWaalsContact O-N 3.13Å; R139-D382 IonicContact CZ-OD1 3.13Å; R139-D382 IonicContact CZ-OD2 3.64Å; R139-D382 IonicContact NE-OD1 3.27Å; R139-D382 PolarHBondContact NE-OD1 3.4Å; R139-D382 IonicContact NE-OD2 3.43Å; R139-D382 IonicContact NH2-OD1 3.07Å; R139-D382 PolarHBondContact NH2-OD1 3.45Å; R139-D382 VanDerWaalsContact NH2-OD1 3.14Å; R139-D382 IonicContact NH2-OD2 3.93Å; R139-D382 PolarHBondContact NH2-OD2 2.96Å
140	F	98.1	Very high	94.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.8	171.9	-73.6	-96.9	0	0	0	110.3	C138 V160 I162 I268 I270 I305 I380 F381 F383	C138-F140 HydrophobicContact CB-CE2 4.08Å; F140-V160 CarbonylContact C-O 3.54Å; F140-V160 WeakPolarHBondContact CA-O 3.3Å; F140-V160 HydrophobicContact CD1-CB 3.65Å; F140-V160 HydrophobicContact CD1-CG1 3.86Å; F140-V160 HydrophobicContact CD1-CG2 4.37Å; F140-V160 HydrophobicContact CE1-CB 3.6Å; F140-V160 HydrophobicContact CE1-CG1 3.64Å; F140-V160 HydrophobicContact CE1-CG2 3.91Å; F140-V160 HydrophobicContact CG-CB 4.36Å; F140-V160 HydrophobicContact CZ-CB 4.27Å; F140-V160 HydrophobicContact CZ-CG2 4.1Å; F140-I162 HydrophobicContact CD1-CD1 3.56Å; F140-I162 HydrophobicContact CD1-CG1 4.15Å; F140-I162 HydrophobicContact CE1-CD1 3.94Å; F140-I268 HydrophobicContact CE2-CD1 3.65Å; F140-I268 HydrophobicContact CZ-CD1 3.7Å; F140-I268 HydrophobicContact CZ-CG2 4.33Å; F140-I270 HydrophobicContact CE1-CD1 3.79Å; F140-I270 HydrophobicContact CZ-CD1 4.22Å; F140-I305 HydrophobicContact CD1-CD1 4.03Å; F140-I305 HydrophobicContact CD2-CD1 4.4Å; F140-I305 HydrophobicContact CE1-CD1 3.51Å; F140-I305 HydrophobicContact CE2-CD1 3.95Å; F140-I305 HydrophobicContact CG-CD1 4.44Å; F140-I305 HydrophobicContact CZ-CD1 3.48Å; F140-I305 VanDerWaalsContact CZ-CD1 3.48Å; F140-I380 VanDerWaalsContact O-CA 3.26Å; F140-I380 WeakPolarHBondContact O-CA 3.21Å; F140-F381 HydrophobicContact CB-CD1 3.86Å; F140-F381 HydrophobicContact CB-CD2 4.3Å; F140-F381 HydrophobicContact CB-CE1 3.41Å; F140-F381 VanDerWaalsContact CB-CE1 3.41Å; F140-F381 HydrophobicContact CB-CE2 3.89Å; F140-F381 HydrophobicContact CB-CG 4.3Å; F140-F381 HydrophobicContact CB-CZ 3.43Å; F140-F381 VanDerWaalsContact CB-CZ 3.43Å; F140-F381 HydrophobicContact CD1-CZ 4.15Å; F140-F381 HydrophobicContact CD2-CD2 4.36Å; F140-F381 AromaticContact CD2-CE2 3.62Å; F140-F381 HydrophobicContact CD2-CE2 3.62Å; F140-F381 AromaticContact CD2-CZ 3.77Å; F140-F381 HydrophobicContact CD2-CZ 3.77Å; F140-F381 HydrophobicContact CE2-CE2 4.39Å; F140-F381 HydrophobicContact CG-CE1 4.02Å; F140-F381 AromaticContact CG-CE2 3.86Å; F140-F381 HydrophobicContact CG-CE2 3.86Å; F140-F381 AromaticContact CG-CZ 3.51Å; F140-F381 HydrophobicContact CG-CZ 3.51Å; F140-F381 PolarHBondContact N-O 3Å; F140-F381 PolarHBondContact O-N 3.13Å; F140-F381 VanDerWaalsContact O-N 3.08Å; F140-F383 HydrophobicContact CD2-CB 3.98Å; F140-F383 HydrophobicContact CE2-CB 3.7Å; F140-F383 HydrophobicContact CE2-CG 4.32Å
141	V	98.3	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126	171.7	-178.8	0	0	0	0	107.5	V155 P156 V160 L161 I162 H188 A378 I380	V141-V155 HydrophobicContact CG1-CG1 3.94Å; V141-P156 HydrophobicContact CG1-CG 3.9Å; V141-P156 HydrophobicContact CG2-CG 4.21Å; V141-V160 PolarHBondContact N-O 3.22Å; V141-L161 HydrophobicContact CB-CD1 4.07Å; V141-L161 HydrophobicContact CG1-CD1 3.89Å; V141-L161 CarbonylContact O-C 3.6Å; V141-L161 WeakPolarHBondContact O-CA 3.47Å; V141-I162 PolarHBondContact O-N 2.82Å; V141-H188 WeakPolarHBondContact CG2-NE2 3.49Å; V141-A378 HydrophobicContact CG1-CB 3.74Å; V141-I380 HydrophobicContact CG1-CG2 4.5Å; V141-I380 HydrophobicContact CG2-CG2 4.05Å
142	C	98.7	Very high	95.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.8	-172.4	-55.1	0	0	0	0	110.6	I162 I344 C365 A378 V379 F381	C142-I162 WeakPolarHBondContact CA-O 3.29Å; C142-I344 HydrophobicContact CB-CG2 3.98Å; C142-C365 HydrophobicContact CB-CB 3.8Å; C142-C365 WeakPolarHBondContact O-CB 3.45Å; C142-A378 CarbonylContact O-C 3.53Å; C142-A378 WeakPolarHBondContact O-CA 3.32Å; C142-V379 HydrophobicContact CB-CB 4.33Å; C142-V379 WeakPolarHBondContact CB-O 3.45Å; C142-V379 PolarHBondContact N-O 2.86Å; C142-V379 PolarHBondContact O-N 3.2Å; C142-F381 VanDerWaalsContact SG-CE1 3.59Å
143	M	98.4	Very high	95.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.6	173.4	58.1	170.1	60.7	0	0	111.5	T146 V155 L161 I162 V163 A164 C365 I367 A378	M143-T146 HydrophobicContact SD-CG2 4.06Å; M143-V155 HydrophobicContact CE-CB 4.28Å; M143-V155 HydrophobicContact CE-CG1 3.88Å; M143-V155 HydrophobicContact CE-CG2 3.49Å; M143-V155 VanDerWaalsContact CE-CG2 3.49Å; M143-L161 HydrophobicContact CE-CD1 4.05Å; M143-L161 HydrophobicContact CG-CD1 4.17Å; M143-L161 HydrophobicContact SD-CD1 4.34Å; M143-I162 PolarHBondContact N-O 3.1Å; M143-V163 HydrophobicContact CG-CB 4.39Å; M143-V163 HydrophobicContact CG-CG1 4.48Å; M143-V163 HydrophobicContact CG-CG2 3.79Å; M143-V163 CarbonylContact O-C 3.54Å; M143-V163 WeakPolarHBondContact O-CA 3.5Å; M143-V163 HydrophobicContact SD-CG2 4.02Å; M143-A164 PolarHBondContact O-N 2.92Å; M143-C365 CarbonylContact C-O 3.49Å; M143-C365 PolarHBondContact O-SG 2.83Å; M143-I367 HydrophobicContact CB-CD1 4.15Å; M143-I367 HydrophobicContact CB-CG1 3.94Å; M143-A378 HydrophobicContact CE-CB 4.49Å
144	A	98.6	Very high	95.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-154	161.5	174.1	0	0	0	0	0	110	T146 A164 C365 I367	A144-T146 VanDerWaalsContact C-N 3.31Å; A144-T146 PolarHBondContact O-N 2.84Å; A144-A164 HydrophobicContact CB-CB 4.06Å; A144-C365 PolarHBondContact N-O 3.05Å; A144-I367 WeakPolarHBondContact O-CB 3.33Å; A144-I367 WeakPolarHBondContact O-CG1 3.33Å; A144-I367 PolarHBondContact O-N 2.77Å
145	D	98	Very high	95.7	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.053	20%	0.196	C	C	.	.			trans	58	38	172.7	-55.2	-90.4	0	0	0	114.1	C147 G165 N166 H309 Q347 C366 C368	D145-C147 VanDerWaalsContact C-N 3.25Å; D145-C147 VanDerWaalsContact C-SG 3.58Å; D145-C147 PolarHBondContact O-N 3.11Å; D145-C147 PolarHBondContact O-SG 2.82Å; D145-G165 PolarHBondContact N-O 3.31Å; D145-N166 CarbonylContact C-O 3.54Å; D145-N166 VanDerWaalsContact CA-O 3.29Å; D145-N166 WeakPolarHBondContact CA-O 3.42Å; D145-N166 HydrophobicContact CB-CB 4.22Å; D145-N166 WeakPolarHBondContact OD1-CB 3.35Å; D145-N166 PolarHBondContact OD1-ND2 3.4Å; D145-H309 IonicContact OD1-CE1 3.9Å; D145-H309 PolarHBondContact OD1-CE1 2.9Å; D145-H309 IonicContact OD2-CE1 2.82Å; D145-Q347 WeakPolarHBondContact OD2-CA 3.23Å; D145-Q347 PolarHBondContact OD2-N 3.35Å; D145-C366 PolarHBondContact OD2-SG 3.43Å; D145-C368 WeakPolarHBondContact O-CB 3.25Å; D145-C368 PolarHBondContact O-SG 3.11Å
146	T	97.8	Very high	96	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.161	C	C	.	.			trans	-69.4	-25.2	173.2	62.9	0	0	0	0	112.1	M143 A144 C148 K149 N166 F167 I367	M143-T146 HydrophobicContact SD-CG2 4.06Å; A144-T146 VanDerWaalsContact C-N 3.31Å; A144-T146 PolarHBondContact O-N 2.84Å; T146-C148 PolarHBondContact O-N 3.24Å; T146-K149 WeakPolarHBondContact O-CA 3.29Å; T146-K149 WeakPolarHBondContact O-CB 3.27Å; T146-K149 PolarHBondContact O-N 3.23Å; T146-N166 PolarHBondContact N-O 2.79Å; T146-F167 WeakPolarHBondContact OG1-CA 3.19Å; T146-I367 HydrophobicContact CG2-CB 4.47Å; T146-I367 HydrophobicContact CG2-CG1 4.23Å
147	C	95.4	Very high	96.2	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.061	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	53.7	169.9	-55.6	0	0	0	0	115.1	D145 K149 N166 K198 M372	D145-C147 VanDerWaalsContact C-N 3.25Å; D145-C147 VanDerWaalsContact C-SG 3.58Å; D145-C147 PolarHBondContact O-N 3.11Å; D145-C147 PolarHBondContact O-SG 2.82Å; C147-K149 VanDerWaalsContact C-N 3.28Å; C147-K149 PolarHBondContact O-N 2.98Å; C147-N166 WeakPolarHBondContact CA-O 3.47Å; C147-N166 PolarHBondContact N-O 3.01Å; C147-N166 PolarHBondContact SG-O 2.79Å; C147-N166 VanDerWaalsContact SG-O 3.33Å; C147-K198 PolarHBondContact SG-NZ 3.03Å; C147-M372 HydrophobicContact CB-CE 3.02Å; C147-M372 WeakPolarHBondContact SG-CE 3.31Å
148	C	96.7	Very high	96.3	Very high	39 Å²	39	33.7 Å²	33.7	26%	0.264	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	18.3	-173.8	-54.3	0	0	0	0	115.6	T146 F167 S169	T146-C148 PolarHBondContact O-N 3.24Å; C148-F167 PolarHBondContact N-O 3.37Å; C148-S169 PolarHBondContact SG-N 3.3Å
149	K	96.6	Very high	96.3	Very high	74 Å²	74	35.2 Å²	35.2	32%	0.322	18%	0.184	S	C	.	.			trans	-113.1	22.3	174.9	-56.9	-62.5	-172.1	176.6	0	113.2	T146 C147 D151 Q152 C153 P374	T146-K149 WeakPolarHBondContact O-CA 3.29Å; T146-K149 WeakPolarHBondContact O-CB 3.27Å; T146-K149 PolarHBondContact O-N 3.23Å; C147-K149 VanDerWaalsContact C-N 3.28Å; C147-K149 PolarHBondContact O-N 2.98Å; K149-D151 PolarHBondContact O-N 2.88Å; K149-Q152 WeakPolarHBondContact O-CB 3.38Å; K149-Q152 PolarHBondContact O-N 3.08Å; K149-C153 PolarHBondContact O-SG 2.73Å; K149-P374 HydrophobicContact CB-CG 3.85Å; K149-P374 HydrophobicContact CG-CG 4.47Å
150	H	96.3	Very high	96.4	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.088	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-60.7	-32.9	-178	45.3	-94.8	0	0	0	112.8	Q152 C153 F179 Y182	H150-Q152 PolarHBondContact O-N 2.82Å; H150-C153 WeakPolarHBondContact O-CB 3.19Å; H150-C153 PolarHBondContact O-N 3.14Å; H150-F179 HydrophobicContact CB-CD2 3.77Å; H150-F179 HydrophobicContact CB-CE2 3.71Å; H150-F179 AromaticContact CG-CD2 3.55Å; H150-F179 AromaticContact ND1-CD2 3.48Å; H150-F179 WeakPolarHBondContact ND1-CD2 3.41Å; H150-Y182 HydrophobicContact CB-CD1 3.82Å; H150-Y182 HydrophobicContact CB-CE1 3.76Å; H150-Y182 HydrophobicContact CB-CG 4.3Å; H150-Y182 AromaticContact CD2-CD1 3.81Å; H150-Y182 AromaticContact CD2-CD2 3.87Å; H150-Y182 AromaticContact CD2-CG 3.46Å; H150-Y182 VanDerWaalsContact CD2-CG 3.46Å; H150-Y182 WeakPolarHBondContact O-CE2 3.44Å; H150-Y182 PolarHBondContact O-OH 3.06Å
151	D	94.3	Very high	96.4	Very high	110 Å²	110	34.6 Å²	34.6	59%	0.588	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-64.2	-18.7	172.7	62.6	-33.7	0	0	0	114.2	K149	K149-D151 PolarHBondContact O-N 2.88Å
152	Q	95.7	Very high	96.4	Very high	104 Å²	104	34.6 Å²	34.6	49%	0.486	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-98.5	-3	179.2	-55.3	-179.4	16.2	0	0	112.4	K149 H150 P374	K149-Q152 WeakPolarHBondContact O-CB 3.38Å; K149-Q152 PolarHBondContact O-N 3.08Å; H150-Q152 PolarHBondContact O-N 2.82Å; Q152-P374 HydrophobicContact CB-CG 4Å
153	C	94.1	Very high	96.4	Very high	18 Å²	18	34.8 Å²	34.8	12%	0.122	18%	0.182	C	C	.	.	S	Bend	trans	-90.6	129.4	-178	-58.6	0	0	0	0	110	K149 H150 V155	K149-C153 PolarHBondContact O-SG 2.73Å; H150-C153 WeakPolarHBondContact O-CB 3.19Å; H150-C153 PolarHBondContact O-N 3.14Å; C153-V155 PolarHBondContact O-N 2.88Å
154	K	91.8	Very high	96.5	Very high	128 Å²	128	34.7 Å²	34.7	56%	0.557	18%	0.182	S	C	*	.			trans	-76.3	117.2	166.3	-173.2	-178	175.6	-167.5	0	108.4
155	V	95.9	Very high	96.4	Very high	26 Å²	26	34.7 Å²	34.7	16%	0.158	18%	0.182	C	C	.	.			trans	-105.9	111.9	177	-165.1	0	0	0	0	107.9	V141 M143 C153 L161 Y182 L186	V141-V155 HydrophobicContact CG1-CG1 3.94Å; M143-V155 HydrophobicContact CE-CB 4.28Å; M143-V155 HydrophobicContact CE-CG1 3.88Å; M143-V155 HydrophobicContact CE-CG2 3.49Å; M143-V155 VanDerWaalsContact CE-CG2 3.49Å; C153-V155 PolarHBondContact O-N 2.88Å; V155-L161 HydrophobicContact CG1-CD1 4.17Å; V155-Y182 WeakPolarHBondContact CG2-OH 3.37Å; V155-L186 HydrophobicContact CB-CD2 4.37Å; V155-L186 HydrophobicContact CG1-CD1 4.45Å; V155-L186 HydrophobicContact CG2-CD1 4.47Å; V155-L186 HydrophobicContact CG2-CD2 4.34Å
156	P	95.5	Very high	96.4	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.084	18%	0.181	C	C	.	.			trans	-68.4	165.7	176.5	29.9	-34	0	0	0	110.8	V129 V141 H188 A378 I380	V129-P156 HydrophobicContact CB-CB 4.24Å; V129-P156 HydrophobicContact CB-CG 4.4Å; V129-P156 HydrophobicContact CG1-CG 4.46Å; V141-P156 HydrophobicContact CG1-CG 3.9Å; V141-P156 HydrophobicContact CG2-CG 4.21Å; P156-H188 PolarHBondContact O-CE1 3.41Å; P156-H188 VanDerWaalsContact O-CE1 3.3Å; P156-H188 PolarHBondContact O-NE2 2.92Å; P156-H188 VanDerWaalsContact O-NE2 3.14Å; P156-A378 HydrophobicContact CG-CB 4.38Å; P156-I380 HydrophobicContact CB-CG2 4.37Å; P156-I380 HydrophobicContact CG-CG2 3.51Å
157	D	94.5	Very high	96.5	Very high	125 Å²	125	34.4 Å²	34.4	67%	0.668	18%	0.18	S	C	*	.			trans	-69.6	145.9	175.4	-70.5	-26.3	0	0	0	111.7	R139	R139-D157 WeakPolarHBondContact CD-O 3.31Å
158	G	95.4	Very high	96.6	Very high	17 Å²	17	34 Å²	34	18%	0.175	18%	0.177	C	C	.	.			trans	-172.8	171.4	175.3	0	0	0	0	0	112.6	H188	G158-H188 PolarHBondContact O-CD2 3.45Å; G158-H188 VanDerWaalsContact O-CD2 3.3Å
159	D	95.7	Very high	96.5	Very high	33 Å²	33	33.7 Å²	33.7	18%	0.176	18%	0.176	C	C	.	.	S	Bend	trans	-82.8	-37.4	-177.6	-56.3	-66.2	0	0	0	111.2	R133 R139 K189 H190	R133-D159 IonicContact NH1-OD1 2.65Å; R133-D159 PolarHBondContact NH1-OD1 3.11Å; R133-D159 IonicContact NH1-OD2 2.78Å; R139-D159 PolarHBondContact N-OD2 3.46Å; R139-D159 PolarHBondContact O-N 2.8Å; D159-K189 PolarHBondContact O-N 3.46Å; D159-H190 PolarHBondContact O-N 3Å
160	V	98.1	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.9	-177.8	-171.4	0	0	0	0	110.6	R139 F140 V141 I162 H190 I192 V265	R139-V160 PolarHBondContact O-N 3.08Å; R139-V160 VanDerWaalsContact O-N 3.13Å; F140-V160 CarbonylContact C-O 3.54Å; F140-V160 WeakPolarHBondContact CA-O 3.3Å; F140-V160 HydrophobicContact CD1-CB 3.65Å; F140-V160 HydrophobicContact CD1-CG1 3.86Å; F140-V160 HydrophobicContact CD1-CG2 4.37Å; F140-V160 HydrophobicContact CE1-CB 3.6Å; F140-V160 HydrophobicContact CE1-CG1 3.64Å; F140-V160 HydrophobicContact CE1-CG2 3.91Å; F140-V160 HydrophobicContact CG-CB 4.36Å; F140-V160 HydrophobicContact CZ-CB 4.27Å; F140-V160 HydrophobicContact CZ-CG2 4.1Å; V141-V160 PolarHBondContact N-O 3.22Å; V160-I162 HydrophobicContact CG1-CG1 4.32Å; V160-H190 WeakPolarHBondContact CA-O 3.48Å; V160-H190 HydrophobicContact CG1-CB 4.15Å; V160-H190 HydrophobicContact CG2-CB 4.19Å; V160-I192 HydrophobicContact CG1-CD1 3.9Å; V160-I192 HydrophobicContact CG1-CG1 4.36Å; V160-V265 HydrophobicContact CG2-CG1 3.72Å
161	L	98.7	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.6	169.2	176.5	64.3	0	0	0	109.9	V141 M143 V155 V163 L183 L186 H188 H190 K191 I192	V141-L161 HydrophobicContact CB-CD1 4.07Å; V141-L161 HydrophobicContact CG1-CD1 3.89Å; V141-L161 CarbonylContact O-C 3.6Å; V141-L161 WeakPolarHBondContact O-CA 3.47Å; M143-L161 HydrophobicContact CE-CD1 4.05Å; M143-L161 HydrophobicContact CG-CD1 4.17Å; M143-L161 HydrophobicContact SD-CD1 4.34Å; V155-L161 HydrophobicContact CG1-CD1 4.17Å; L161-V163 HydrophobicContact CD2-CG2 4.37Å; L161-V163 HydrophobicContact CG-CG2 4.18Å; L161-L183 HydrophobicContact CD2-CD2 3.76Å; L161-L186 HydrophobicContact CD2-CD1 3.48Å; L161-L186 VanDerWaalsContact CD2-CD1 3.48Å; L161-H188 HydrophobicContact CB-CB 4.12Å; L161-H190 PolarHBondContact N-O 2.86Å; L161-K191 HydrophobicContact CB-CG 4.18Å; L161-K191 HydrophobicContact CD2-CG 4.22Å; L161-K191 CarbonylContact O-C 3.58Å; L161-K191 WeakPolarHBondContact O-CA 3.45Å; L161-I192 PolarHBondContact O-N 2.82Å
162	I	98.9	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.2	172.4	-65	178.1	0	0	0	109.2	F140 V141 C142 M143 V160 I192 I305 V307 I344	F140-I162 HydrophobicContact CD1-CD1 3.56Å; F140-I162 HydrophobicContact CD1-CG1 4.15Å; F140-I162 HydrophobicContact CE1-CD1 3.94Å; V141-I162 PolarHBondContact O-N 2.82Å; C142-I162 WeakPolarHBondContact CA-O 3.29Å; M143-I162 PolarHBondContact N-O 3.1Å; V160-I162 HydrophobicContact CG1-CG1 4.32Å; I162-I192 WeakPolarHBondContact CA-O 3.42Å; I162-I192 HydrophobicContact CG1-CB 4.24Å; I162-I305 HydrophobicContact CD1-CG2 4.19Å; I162-V307 HydrophobicContact CD1-CG2 4.27Å; I162-V307 HydrophobicContact CG2-CG1 3.81Å; I162-V307 HydrophobicContact CG2-CG2 3.81Å; I162-I344 HydrophobicContact CD1-CD1 3.44Å; I162-I344 VanDerWaalsContact CD1-CD1 3.44Å; I162-I344 HydrophobicContact CG2-CD1 4.3Å; I162-I344 HydrophobicContact CG2-CG2 4.14Å
163	V	98.8	Very high	96.7	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	111	174.8	-179.3	0	0	0	0	109.3	M143 L161 G165 F167 F179 L183 I192 L193 V194	M143-V163 HydrophobicContact CG-CB 4.39Å; M143-V163 HydrophobicContact CG-CG1 4.48Å; M143-V163 HydrophobicContact CG-CG2 3.79Å; M143-V163 CarbonylContact O-C 3.54Å; M143-V163 WeakPolarHBondContact O-CA 3.5Å; M143-V163 HydrophobicContact SD-CG2 4.02Å; L161-V163 HydrophobicContact CD2-CG2 4.37Å; L161-V163 HydrophobicContact CG-CG2 4.18Å; V163-G165 VanDerWaalsContact C-N 3.32Å; V163-G165 PolarHBondContact O-N 2.71Å; V163-F167 HydrophobicContact CG1-CB 4.33Å; V163-F167 HydrophobicContact CG1-CD1 4.24Å; V163-F179 HydrophobicContact CB-CZ 4.44Å; V163-F179 HydrophobicContact CG1-CE1 4.14Å; V163-F179 HydrophobicContact CG1-CZ 3.82Å; V163-F179 HydrophobicContact CG2-CE1 4.46Å; V163-F179 HydrophobicContact CG2-CZ 3.98Å; V163-L183 HydrophobicContact CG2-CD2 4.41Å; V163-I192 PolarHBondContact N-O 3.37Å; V163-L193 HydrophobicContact CB-CD1 3.39Å; V163-L193 HydrophobicContact CG1-CD1 3.41Å; V163-L193 VanDerWaalsContact CG1-CD1 3.41Å; V163-L193 HydrophobicContact CG2-CD1 4.28Å; V163-V194 PolarHBondContact O-N 2.76Å
164	A	98.8	Very high	96.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	50.4	-175.3	0	0	0	0	0	113.1	M143 A144 V307 H309 I344	M143-A164 PolarHBondContact O-N 2.92Å; A144-A164 HydrophobicContact CB-CB 4.06Å; A164-V307 HydrophobicContact CB-CG1 3.91Å; A164-H309 PolarHBondContact O-ND1 2.59Å; A164-I344 HydrophobicContact CB-CG2 4.42Å
165	G	98.5	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	84.7	175.1	170	0	0	0	0	0	116.5	D145 V163 F167 V194	D145-G165 PolarHBondContact N-O 3.31Å; V163-G165 VanDerWaalsContact C-N 3.32Å; V163-G165 PolarHBondContact O-N 2.71Å; G165-F167 VanDerWaalsContact C-N 3.32Å; G165-F167 PolarHBondContact O-N 2.84Å; G165-V194 WeakPolarHBondContact CA-O 3.41Å; G165-V194 PolarHBondContact N-O 2.84Å
166	N	97.9	Very high	97.3	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.1	C	C	.	.			trans	55	41.7	-179	-78	-1.6	0	0	0	113.8	D145 T146 C147 T168 G196 D197 K198 E199 H309	D145-N166 CarbonylContact C-O 3.54Å; D145-N166 VanDerWaalsContact CA-O 3.29Å; D145-N166 WeakPolarHBondContact CA-O 3.42Å; D145-N166 HydrophobicContact CB-CB 4.22Å; D145-N166 WeakPolarHBondContact OD1-CB 3.35Å; D145-N166 PolarHBondContact OD1-ND2 3.4Å; T146-N166 PolarHBondContact N-O 2.79Å; C147-N166 WeakPolarHBondContact CA-O 3.47Å; C147-N166 PolarHBondContact N-O 3.01Å; C147-N166 PolarHBondContact SG-O 2.79Å; C147-N166 VanDerWaalsContact SG-O 3.33Å; N166-T168 VanDerWaalsContact C-N 3.34Å; N166-G196 WeakPolarHBondContact OD1-CA 3.36Å; N166-D197 PolarHBondContact ND2-OD1 3.23Å; N166-D197 PolarHBondContact OD1-N 3.01Å; N166-D197 VanDerWaalsContact OD1-N 3.09Å; N166-D197 PolarHBondContact OD1-OD1 3.09Å; N166-K198 HydrophobicContact CB-CD 4.19Å; N166-K198 WeakPolarHBondContact OD1-CB 3.41Å; N166-K198 WeakPolarHBondContact OD1-CG 3.35Å; N166-K198 PolarHBondContact OD1-N 3.06Å; N166-E199 WeakPolarHBondContact CA-OE1 3.29Å; N166-E199 VanDerWaalsContact CA-OE2 3.31Å; N166-E199 WeakPolarHBondContact CA-OE2 3.46Å; N166-E199 PolarHBondContact N-OE2 2.91Å; N166-H309 PolarHBondContact ND2-CE1 3.24Å; N166-H309 PolarHBondContact ND2-NE2 3.22Å; N166-H309 VanDerWaalsContact ND2-NE2 3.11Å
167	F	98.3	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.			trans	-83.3	-14.1	175	53.7	-89.1	0	0	0	112.9	T146 C148 V163 G165 F179 L193 E199 L202	T146-F167 WeakPolarHBondContact OG1-CA 3.19Å; C148-F167 PolarHBondContact N-O 3.37Å; V163-F167 HydrophobicContact CG1-CB 4.33Å; V163-F167 HydrophobicContact CG1-CD1 4.24Å; G165-F167 VanDerWaalsContact C-N 3.32Å; G165-F167 PolarHBondContact O-N 2.84Å; F167-F179 HydrophobicContact CB-CD1 3.8Å; F167-F179 HydrophobicContact CB-CD2 3.95Å; F167-F179 HydrophobicContact CB-CE1 3.59Å; F167-F179 HydrophobicContact CB-CE2 3.77Å; F167-F179 HydrophobicContact CB-CG 3.95Å; F167-F179 HydrophobicContact CB-CZ 3.57Å; F167-F179 HydrophobicContact CD1-CD1 4.36Å; F167-F179 HydrophobicContact CD1-CE1 4.08Å; F167-F179 HydrophobicContact CD2-CB 3.86Å; F167-F179 AromaticContact CD2-CD1 3.1Å; F167-F179 HydrophobicContact CD2-CD1 3.1Å; F167-F179 HydrophobicContact CD2-CD2 4.34Å; F167-F179 AromaticContact CD2-CE1 3.64Å; F167-F179 HydrophobicContact CD2-CE1 3.64Å; F167-F179 AromaticContact CD2-CG 3.5Å; F167-F179 HydrophobicContact CD2-CG 3.5Å; F167-F179 VanDerWaalsContact CD2-CG 3.5Å; F167-F179 HydrophobicContact CD2-CZ 4.45Å; F167-F179 HydrophobicContact CE2-CB 4.46Å; F167-F179 AromaticContact CE2-CD1 3.66Å; F167-F179 HydrophobicContact CE2-CD1 3.66Å; F167-F179 HydrophobicContact CE2-CE1 4.29Å; F167-F179 HydrophobicContact CE2-CG 4.31Å; F167-F179 AromaticContact CG-CD1 3.5Å; F167-F179 HydrophobicContact CG-CD1 3.5Å; F167-F179 VanDerWaalsContact CG-CD1 3.5Å; F167-F179 AromaticContact CG-CE1 3.49Å; F167-F179 HydrophobicContact CG-CE1 3.49Å; F167-F179 VanDerWaalsContact CG-CE1 3.49Å; F167-F179 HydrophobicContact CG-CG 4.01Å; F167-F179 HydrophobicContact CG-CZ 4.04Å; F167-F179 HydrophobicContact CZ-CD1 4.47Å; F167-L193 HydrophobicContact CD1-CD1 3.58Å; F167-L193 HydrophobicContact CD1-CG 4.43Å; F167-L193 HydrophobicContact CE1-CD1 3.47Å; F167-L193 VanDerWaalsContact CE1-CD1 3.47Å; F167-L193 HydrophobicContact CE1-CD2 3.82Å; F167-L193 HydrophobicContact CE1-CG 3.83Å; F167-L193 HydrophobicContact CE2-CD2 4.35Å; F167-L193 HydrophobicContact CG-CD1 4.39Å; F167-L193 HydrophobicContact CZ-CD1 4.18Å; F167-L193 HydrophobicContact CZ-CD2 3.69Å; F167-L193 HydrophobicContact CZ-CG 4.22Å; F167-E199 HydrophobicContact CD1-CG 4.23Å; F167-E199 HydrophobicContact CE1-CG 3.57Å; F167-E199 HydrophobicContact CE2-CG 3.96Å; F167-E199 HydrophobicContact CZ-CG 3.44Å; F167-E199 VanDerWaalsContact CZ-CG 3.44Å; F167-E199 PolarHBondContact N-OE1 2.87Å; F167-L202 HydrophobicContact CZ-CD1 3.97Å
168	T	97.7	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-108.1	173.6	174.5	72	0	0	0	0	112.3	N166 G171 E175 I176 E199	N166-T168 VanDerWaalsContact C-N 3.34Å; T168-G171 VanDerWaalsContact OG1-CA 3.29Å; T168-G171 WeakPolarHBondContact OG1-CA 3.34Å; T168-G171 PolarHBondContact OG1-N 3.32Å; T168-E175 WeakPolarHBondContact CB-OE2 3.33Å; T168-E175 HydrophobicContact CG2-CB 3.9Å; T168-I176 HydrophobicContact CG2-CG1 3.89Å; T168-E199 WeakPolarHBondContact CB-OE1 3.28Å; T168-E199 HydrophobicContact CG2-CG 4.21Å; T168-E199 PolarHBondContact N-OE1 3.13Å; T168-E199 PolarHBondContact OG1-OE1 2.91Å
169	S	94.7	Very high	97.8	Very high	33 Å²	33	17.7 Å²	17.7	23%	0.231	9%	0.094	C	C	.	.	S	Bend	trans	-86.1	-36.8	173.2	86	0	0	0	0	111.4	C148 E175	C148-S169 PolarHBondContact SG-N 3.3Å; S169-E175 WeakPolarHBondContact CB-OE1 3.31Å; S169-E175 PolarHBondContact N-OE2 3.46Å; S169-E175 VanDerWaalsContact OG-CD 3.24Å; S169-E175 PolarHBondContact OG-OE1 2.84Å; S169-E175 PolarHBondContact OG-OE2 3.04Å
170	C	94.8	Very high	97.9	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.061	9%	0.087	C	C	.	.	S	Bend	trans	-155.2	15.5	-177	62.3	0	0	0	0	113.9	H172 E175 K198 L200	C170-H172 VanDerWaalsContact C-N 3.33Å; C170-H172 PolarHBondContact O-N 2.75Å; C170-E175 PolarHBondContact N-OE2 2.72Å; C170-E175 VanDerWaalsContact N-OE2 3.1Å; C170-K198 CarbonylContact C-O 3.59Å; C170-K198 WeakPolarHBondContact CA-O 3.11Å; C170-L200 HydrophobicContact CB-CD1 4.25Å; C170-L200 WeakPolarHBondContact O-CB 3.23Å; C170-L200 WeakPolarHBondContact O-CD1 3.31Å; C170-L200 WeakPolarHBondContact O-CG 3.45Å
171	G	96.7	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.			trans	70.3	29.1	-179.9	0	0	0	0	0	112.8	T168 K198 T201	T168-G171 VanDerWaalsContact OG1-CA 3.29Å; T168-G171 WeakPolarHBondContact OG1-CA 3.34Å; T168-G171 PolarHBondContact OG1-N 3.32Å; G171-K198 PolarHBondContact N-O 3Å; G171-T201 WeakPolarHBondContact O-CB 3.32Å; G171-T201 WeakPolarHBondContact O-CG2 3.47Å; G171-T201 PolarHBondContact O-OG1 2.77Å
172	H	97.5	Very high	97.9	Very high	35 Å²	35	22.5 Å²	22.5	16%	0.162	12%	0.117	C	C	.	.			trans	-66.4	139.5	174.3	-170.9	-82.8	0	0	0	109.9	C170 D174 E175 I176 L236 A239	C170-H172 VanDerWaalsContact C-N 3.33Å; C170-H172 PolarHBondContact O-N 2.75Å; H172-D174 VanDerWaalsContact C-N 3.27Å; H172-D174 VanDerWaalsContact CE1-CG 3.47Å; H172-D174 IonicContact CE1-OD1 3.5Å; H172-D174 IonicContact CE1-OD2 3.97Å; H172-D174 PolarHBondContact CE1-OD2 3.39Å; H172-D174 PolarHBondContact ND1-N 2.85Å; H172-D174 VanDerWaalsContact ND1-N 3.19Å; H172-D174 IonicContact ND1-OD2 3.72Å; H172-D174 PolarHBondContact ND1-OD2 3.13Å; H172-D174 PolarHBondContact O-N 3.14Å; H172-D174 VanDerWaalsContact O-N 3.17Å; H172-E175 HydrophobicContact CB-CB 4.41Å; H172-E175 HydrophobicContact CB-CG 3.98Å; H172-E175 PolarHBondContact N-OE2 3.41Å; H172-E175 WeakPolarHBondContact O-CA 3.26Å; H172-E175 WeakPolarHBondContact O-CB 3.43Å; H172-E175 PolarHBondContact O-N 3.07Å; H172-I176 PolarHBondContact O-N 3.43Å; H172-L236 HydrophobicContact CB-CD2 4.17Å; H172-A239 WeakPolarHBondContact NE2-CB 3.42Å
173	P	98.1	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-49.2	-43.3	179.5	-34.2	39.2	0	0	0	115	E175 I176 R177 A239 M240 I245 L251	P173-E175 VanDerWaalsContact C-N 3.3Å; P173-E175 PolarHBondContact O-N 3.42Å; P173-I176 PolarHBondContact O-N 3.45Å; P173-R177 WeakPolarHBondContact O-CB 3.46Å; P173-R177 PolarHBondContact O-N 2.95Å; P173-A239 HydrophobicContact CG-CB 4.23Å; P173-M240 HydrophobicContact CG-CG 4.1Å; P173-M240 HydrophobicContact CG-SD 3.71Å; P173-I245 HydrophobicContact CB-CD1 3.56Å; P173-I245 HydrophobicContact CG-CD1 4.06Å; P173-L251 HydrophobicContact CB-CD1 3.99Å
174	D	98	Very high	97.8	Very high	70 Å²	70	24.2 Å²	24.2	37%	0.374	14%	0.135	S	C	.	.	H	α-helix	trans	-60.7	-35.8	174.8	-57.5	-15.1	0	0	0	113.3	H172 A178 Q243	H172-D174 VanDerWaalsContact C-N 3.27Å; H172-D174 VanDerWaalsContact CE1-CG 3.47Å; H172-D174 IonicContact CE1-OD1 3.5Å; H172-D174 IonicContact CE1-OD2 3.97Å; H172-D174 PolarHBondContact CE1-OD2 3.39Å; H172-D174 PolarHBondContact ND1-N 2.85Å; H172-D174 VanDerWaalsContact ND1-N 3.19Å; H172-D174 IonicContact ND1-OD2 3.72Å; H172-D174 PolarHBondContact ND1-OD2 3.13Å; H172-D174 PolarHBondContact O-N 3.14Å; H172-D174 VanDerWaalsContact O-N 3.17Å; D174-A178 VanDerWaalsContact O-CB 3.27Å; D174-A178 WeakPolarHBondContact O-CB 3.33Å; D174-A178 PolarHBondContact O-N 3.11Å; D174-Q243 PolarHBondContact OD1-NE2 2.77Å
175	E	98.3	Very high	97.8	Very high	29 Å²	29	28.5 Å²	28.5	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-71.3	-39.6	178	-64.1	176.5	165.3	0	0	110.8	T168 S169 C170 H172 P173 F179	T168-E175 WeakPolarHBondContact CB-OE2 3.33Å; T168-E175 HydrophobicContact CG2-CB 3.9Å; S169-E175 WeakPolarHBondContact CB-OE1 3.31Å; S169-E175 PolarHBondContact N-OE2 3.46Å; S169-E175 VanDerWaalsContact OG-CD 3.24Å; S169-E175 PolarHBondContact OG-OE1 2.84Å; S169-E175 PolarHBondContact OG-OE2 3.04Å; C170-E175 PolarHBondContact N-OE2 2.72Å; C170-E175 VanDerWaalsContact N-OE2 3.1Å; H172-E175 HydrophobicContact CB-CB 4.41Å; H172-E175 HydrophobicContact CB-CG 3.98Å; H172-E175 PolarHBondContact N-OE2 3.41Å; H172-E175 WeakPolarHBondContact O-CA 3.26Å; H172-E175 WeakPolarHBondContact O-CB 3.43Å; H172-E175 PolarHBondContact O-N 3.07Å; P173-E175 VanDerWaalsContact C-N 3.3Å; P173-E175 PolarHBondContact O-N 3.42Å; E175-F179 WeakPolarHBondContact O-CB 3.44Å; E175-F179 PolarHBondContact O-N 3.48Å
176	I	98.6	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-46.5	175.7	-63.7	175	0	0	0	110	T168 H172 P173 F179 N180 T201 L202 A248 L251 L252	T168-I176 HydrophobicContact CG2-CG1 3.89Å; H172-I176 PolarHBondContact O-N 3.43Å; P173-I176 PolarHBondContact O-N 3.45Å; I176-F179 PolarHBondContact O-N 3.06Å; I176-N180 WeakPolarHBondContact O-CB 3.35Å; I176-N180 PolarHBondContact O-N 3.44Å; I176-T201 VanDerWaalsContact CD1-OG1 3.24Å; I176-T201 WeakPolarHBondContact CD1-OG1 3.42Å; I176-L202 HydrophobicContact CD1-CD2 4.19Å; I176-L202 HydrophobicContact CD1-CG 4.19Å; I176-A248 HydrophobicContact CD1-CB 3.93Å; I176-L251 HydrophobicContact CB-CD1 4.07Å; I176-L251 HydrophobicContact CG2-CB 3.74Å; I176-L251 HydrophobicContact CG2-CD1 4.01Å; I176-L252 HydrophobicContact CG2-CD2 3.67Å; I176-L252 HydrophobicContact CG2-CG 3.95Å
177	R	98.2	Very high	97.6	Very high	111 Å²	111	34 Å²	34	42%	0.419	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-47.8	177.7	-169.9	-174.3	-59.2	-85.8	-1	111.6	P173 F179 N180 D181	P173-R177 WeakPolarHBondContact O-CB 3.46Å; P173-R177 PolarHBondContact O-N 2.95Å; R177-F179 VanDerWaalsContact C-N 3.27Å; R177-F179 PolarHBondContact O-N 3.42Å; R177-N180 WeakPolarHBondContact O-CB 3.32Å; R177-N180 PolarHBondContact O-N 3.5Å; R177-N180 VanDerWaalsContact O-N 3.1Å; R177-D181 WeakPolarHBondContact O-CB 3.44Å; R177-D181 PolarHBondContact O-N 2.82Å
178	A	98.4	Very high	97.6	Very high	45 Å²	45	34.1 Å²	34.1	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-57.6	-42.3	177.2	0	0	0	0	0	111.9	D174 Y182	D174-A178 VanDerWaalsContact O-CB 3.27Å; D174-A178 WeakPolarHBondContact O-CB 3.33Å; D174-A178 PolarHBondContact O-N 3.11Å; A178-Y182 WeakPolarHBondContact O-CB 3.46Å; A178-Y182 PolarHBondContact O-N 3.09Å
179	F	98.6	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-41	175.2	-172.6	-112.7	0	0	0	112.6	H150 V163 F167 E175 I176 R177 Y182 L183 L193	H150-F179 HydrophobicContact CB-CD2 3.77Å; H150-F179 HydrophobicContact CB-CE2 3.71Å; H150-F179 AromaticContact CG-CD2 3.55Å; H150-F179 AromaticContact ND1-CD2 3.48Å; H150-F179 WeakPolarHBondContact ND1-CD2 3.41Å; V163-F179 HydrophobicContact CB-CZ 4.44Å; V163-F179 HydrophobicContact CG1-CE1 4.14Å; V163-F179 HydrophobicContact CG1-CZ 3.82Å; V163-F179 HydrophobicContact CG2-CE1 4.46Å; V163-F179 HydrophobicContact CG2-CZ 3.98Å; F167-F179 HydrophobicContact CB-CD1 3.8Å; F167-F179 HydrophobicContact CB-CD2 3.95Å; F167-F179 HydrophobicContact CB-CE1 3.59Å; F167-F179 HydrophobicContact CB-CE2 3.77Å; F167-F179 HydrophobicContact CB-CG 3.95Å; F167-F179 HydrophobicContact CB-CZ 3.57Å; F167-F179 HydrophobicContact CD1-CD1 4.36Å; F167-F179 HydrophobicContact CD1-CE1 4.08Å; F167-F179 HydrophobicContact CD2-CB 3.86Å; F167-F179 AromaticContact CD2-CD1 3.1Å; F167-F179 HydrophobicContact CD2-CD1 3.1Å; F167-F179 HydrophobicContact CD2-CD2 4.34Å; F167-F179 AromaticContact CD2-CE1 3.64Å; F167-F179 HydrophobicContact CD2-CE1 3.64Å; F167-F179 AromaticContact CD2-CG 3.5Å; F167-F179 HydrophobicContact CD2-CG 3.5Å; F167-F179 VanDerWaalsContact CD2-CG 3.5Å; F167-F179 HydrophobicContact CD2-CZ 4.45Å; F167-F179 HydrophobicContact CE2-CB 4.46Å; F167-F179 AromaticContact CE2-CD1 3.66Å; F167-F179 HydrophobicContact CE2-CD1 3.66Å; F167-F179 HydrophobicContact CE2-CE1 4.29Å; F167-F179 HydrophobicContact CE2-CG 4.31Å; F167-F179 AromaticContact CG-CD1 3.5Å; F167-F179 HydrophobicContact CG-CD1 3.5Å; F167-F179 VanDerWaalsContact CG-CD1 3.5Å; F167-F179 AromaticContact CG-CE1 3.49Å; F167-F179 HydrophobicContact CG-CE1 3.49Å; F167-F179 VanDerWaalsContact CG-CE1 3.49Å; F167-F179 HydrophobicContact CG-CG 4.01Å; F167-F179 HydrophobicContact CG-CZ 4.04Å; F167-F179 HydrophobicContact CZ-CD1 4.47Å; E175-F179 WeakPolarHBondContact O-CB 3.44Å; E175-F179 PolarHBondContact O-N 3.48Å; I176-F179 PolarHBondContact O-N 3.06Å; R177-F179 VanDerWaalsContact C-N 3.27Å; R177-F179 PolarHBondContact O-N 3.42Å; F179-Y182 HydrophobicContact CD2-CD1 4.26Å; F179-Y182 HydrophobicContact CE2-CD1 4.15Å; F179-Y182 WeakPolarHBondContact O-CB 3.14Å; F179-Y182 PolarHBondContact O-N 3.13Å; F179-L183 HydrophobicContact CD1-CD1 3.96Å; F179-L183 HydrophobicContact CD1-CG 4.24Å; F179-L183 HydrophobicContact CE1-CD1 3.68Å; F179-L183 HydrophobicContact CE1-CD2 4.14Å; F179-L183 HydrophobicContact CE1-CG 3.96Å; F179-L183 HydrophobicContact CZ-CD1 4.36Å; F179-L183 HydrophobicContact CZ-CD2 3.99Å; F179-L183 HydrophobicContact CZ-CG 4.21Å; F179-L183 WeakPolarHBondContact O-CG 3.27Å; F179-L183 PolarHBondContact O-N 3.06Å; F179-L193 HydrophobicContact CE1-CD1 3.9Å; F179-L193 HydrophobicContact CE1-CD2 4.33Å
180	N	98.7	Very high	97.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-41.9	176.5	-178.2	71.3	0	0	0	112.4	I176 R177 Y182 L183 G184 L251 L252 T253 N254	I176-N180 WeakPolarHBondContact O-CB 3.35Å; I176-N180 PolarHBondContact O-N 3.44Å; R177-N180 WeakPolarHBondContact O-CB 3.32Å; R177-N180 PolarHBondContact O-N 3.5Å; R177-N180 VanDerWaalsContact O-N 3.1Å; N180-Y182 VanDerWaalsContact C-N 3.32Å; N180-L183 WeakPolarHBondContact O-CB 3.49Å; N180-L183 PolarHBondContact O-N 2.85Å; N180-G184 PolarHBondContact O-N 2.75Å; N180-L251 WeakPolarHBondContact CB-O 3.38Å; N180-L251 PolarHBondContact ND2-O 3.2Å; N180-L251 PolarHBondContact OD1-O 3.43Å; N180-L252 HydrophobicContact CB-CD2 4.48Å; N180-L252 VanDerWaalsContact OD1-C 3.28Å; N180-L252 WeakPolarHBondContact OD1-CA 3.35Å; N180-T253 PolarHBondContact ND2-OG1 2.95Å; N180-T253 PolarHBondContact OD1-N 3.49Å; N180-N254 PolarHBondContact ND2-ND2 3.25Å; N180-N254 PolarHBondContact O-ND2 3.04Å; N180-N254 PolarHBondContact OD1-N 2.78Å
181	D	98.5	Very high	97.7	Very high	93 Å²	93	42.5 Å²	42.5	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-40.5	177.1	-64.2	-17.6	0	0	0	110.4	R177 G184 S185	R177-D181 WeakPolarHBondContact O-CB 3.44Å; R177-D181 PolarHBondContact O-N 2.82Å; D181-G184 PolarHBondContact O-N 2.77Å; D181-G184 VanDerWaalsContact O-N 3.16Å; D181-S185 PolarHBondContact O-N 3.48Å
182	Y	98.4	Very high	97.8	Very high	36 Å²	36	42.5 Å²	42.5	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-44.1	170.8	171	-97.5	0	0	0	112.5	H150 V155 A178 F179 N180 G184 S185 L186	H150-Y182 HydrophobicContact CB-CD1 3.82Å; H150-Y182 HydrophobicContact CB-CE1 3.76Å; H150-Y182 HydrophobicContact CB-CG 4.3Å; H150-Y182 AromaticContact CD2-CD1 3.81Å; H150-Y182 AromaticContact CD2-CD2 3.87Å; H150-Y182 AromaticContact CD2-CG 3.46Å; H150-Y182 VanDerWaalsContact CD2-CG 3.46Å; H150-Y182 WeakPolarHBondContact O-CE2 3.44Å; H150-Y182 PolarHBondContact O-OH 3.06Å; V155-Y182 WeakPolarHBondContact CG2-OH 3.37Å; A178-Y182 WeakPolarHBondContact O-CB 3.46Å; A178-Y182 PolarHBondContact O-N 3.09Å; F179-Y182 HydrophobicContact CD2-CD1 4.26Å; F179-Y182 HydrophobicContact CE2-CD1 4.15Å; F179-Y182 WeakPolarHBondContact O-CB 3.14Å; F179-Y182 PolarHBondContact O-N 3.13Å; N180-Y182 VanDerWaalsContact C-N 3.32Å; Y182-G184 PolarHBondContact O-N 3.08Å; Y182-S185 PolarHBondContact O-N 2.84Å; Y182-S185 PolarHBondContact O-OG 3.03Å; Y182-L186 HydrophobicContact CD1-CD1 4.35Å; Y182-L186 HydrophobicContact CE1-CD1 3.74Å; Y182-L186 HydrophobicContact CE1-CD2 4.48Å; Y182-L186 HydrophobicContact CE1-CG 4.3Å; Y182-L186 HydrophobicContact CE2-CD2 4.38Å
183	L	98.2	Very high	97.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-34.4	174.5	-70	176.7	0	0	0	112.1	L161 V163 F179 N180 S185 L186 K191 N254 C255	L161-L183 HydrophobicContact CD2-CD2 3.76Å; V163-L183 HydrophobicContact CG2-CD2 4.41Å; F179-L183 HydrophobicContact CD1-CD1 3.96Å; F179-L183 HydrophobicContact CD1-CG 4.24Å; F179-L183 HydrophobicContact CE1-CD1 3.68Å; F179-L183 HydrophobicContact CE1-CD2 4.14Å; F179-L183 HydrophobicContact CE1-CG 3.96Å; F179-L183 HydrophobicContact CZ-CD1 4.36Å; F179-L183 HydrophobicContact CZ-CD2 3.99Å; F179-L183 HydrophobicContact CZ-CG 4.21Å; F179-L183 WeakPolarHBondContact O-CG 3.27Å; F179-L183 PolarHBondContact O-N 3.06Å; N180-L183 WeakPolarHBondContact O-CB 3.49Å; N180-L183 PolarHBondContact O-N 2.85Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 PolarHBondContact O-N 2.98Å; L183-L186 HydrophobicContact CD2-CD1 4.35Å; L183-L186 PolarHBondContact O-N 2.69Å; L183-K191 VanDerWaalsContact O-CE 3.26Å; L183-K191 WeakPolarHBondContact O-CE 3.39Å; L183-N254 HydrophobicContact CB-CB 4.17Å; L183-C255 HydrophobicContact CD1-CB 3.93Å
184	G	97.8	Very high	97.9	Very high	38 Å²	38	40.9 Å²	40.9	39%	0.392	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-26.1	176.1	0	0	0	0	0	114.2	N180 D181 Y182 N254	N180-G184 PolarHBondContact O-N 2.75Å; D181-G184 PolarHBondContact O-N 2.77Å; D181-G184 VanDerWaalsContact O-N 3.16Å; Y182-G184 PolarHBondContact O-N 3.08Å; G184-N254 WeakPolarHBondContact CA-ND2 3.46Å
185	S	97.5	Very high	97.9	Very high	89 Å²	89	37.5 Å²	37.5	62%	0.622	21%	0.207	S	C	*	.	H	α-helix	trans	-84.1	-13.4	178.3	75.2	0	0	0	0	113.8	D181 Y182 L183	D181-S185 PolarHBondContact O-N 3.48Å; Y182-S185 PolarHBondContact O-N 2.84Å; Y182-S185 PolarHBondContact O-OG 3.03Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 PolarHBondContact O-N 2.98Å
186	L	97.8	Very high	97.9	Very high	22 Å²	22	36.1 Å²	36.1	12%	0.115	20%	0.2	C	C	.	.	S	Bend	trans	-81.7	143.6	-178.1	-63.1	179.2	0	0	0	112.4	V155 L161 Y182 L183 H188 K191	V155-L186 HydrophobicContact CB-CD2 4.37Å; V155-L186 HydrophobicContact CG1-CD1 4.45Å; V155-L186 HydrophobicContact CG2-CD1 4.47Å; V155-L186 HydrophobicContact CG2-CD2 4.34Å; L161-L186 HydrophobicContact CD2-CD1 3.48Å; L161-L186 VanDerWaalsContact CD2-CD1 3.48Å; Y182-L186 HydrophobicContact CD1-CD1 4.35Å; Y182-L186 HydrophobicContact CE1-CD1 3.74Å; Y182-L186 HydrophobicContact CE1-CD2 4.48Å; Y182-L186 HydrophobicContact CE1-CG 4.3Å; Y182-L186 HydrophobicContact CE2-CD2 4.38Å; L183-L186 HydrophobicContact CD2-CD1 4.35Å; L183-L186 PolarHBondContact O-N 2.69Å; L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 PolarHBondContact O-N 2.92Å; L186-K191 WeakPolarHBondContact O-CE 3.35Å; L186-K191 PolarHBondContact O-NZ 3.19Å
187	P	95.9	Very high	97.8	Very high	98 Å²	98	36.5 Å²	36.5	64%	0.636	20%	0.202	S	C	*	.			trans	-76.8	-11	-171.8	30.9	-37	0	0	0	114.9	K189	P187-K189 PolarHBondContact O-N 3.38Å
188	H	97	Very high	97.7	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.014	19%	0.187	C	C	.	.			trans	-57.3	132.4	-175.9	-57.1	72	0	0	0	111.6	V141 P156 G158 L161 L186 H190 K191	V141-H188 WeakPolarHBondContact CG2-NE2 3.49Å; P156-H188 PolarHBondContact O-CE1 3.41Å; P156-H188 VanDerWaalsContact O-CE1 3.3Å; P156-H188 PolarHBondContact O-NE2 2.92Å; P156-H188 VanDerWaalsContact O-NE2 3.14Å; G158-H188 PolarHBondContact O-CD2 3.45Å; G158-H188 VanDerWaalsContact O-CD2 3.3Å; L161-H188 HydrophobicContact CB-CB 4.12Å; L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 PolarHBondContact O-N 2.92Å; H188-H190 VanDerWaalsContact C-N 3.31Å; H188-H190 PolarHBondContact O-N 3.37Å; H188-K191 HydrophobicContact CB-CD 4.4Å; H188-K191 WeakPolarHBondContact O-CD 3.46Å; H188-K191 WeakPolarHBondContact O-CE 3.38Å; H188-K191 PolarHBondContact O-NZ 2.93Å
189	K	92.9	Very high	97.6	Very high	138 Å²	138	30.2 Å²	30.2	60%	0.6	17%	0.169	S	C	*	.	S	Bend	trans	-64	-39	-178.6	-173.8	-177.4	174.6	-172.4	0	112	D159 P187	D159-K189 PolarHBondContact O-N 3.46Å; P187-K189 PolarHBondContact O-N 3.38Å
190	H	97.7	Very high	97.5	Very high	47 Å²	47	30.3 Å²	30.3	22%	0.218	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.8	178	-57.4	-78.2	0	0	0	110.4	D159 V160 L161 H188 M256 V265	D159-H190 PolarHBondContact O-N 3Å; V160-H190 WeakPolarHBondContact CA-O 3.48Å; V160-H190 HydrophobicContact CG1-CB 4.15Å; V160-H190 HydrophobicContact CG2-CB 4.19Å; L161-H190 PolarHBondContact N-O 2.86Å; H188-H190 VanDerWaalsContact C-N 3.31Å; H188-H190 PolarHBondContact O-N 3.37Å; H190-M256 HydrophobicContact CB-CE 4.08Å; H190-V265 HydrophobicContact CB-CG1 4.17Å; H190-V265 HydrophobicContact CB-CG2 4.35Å; H190-V265 WeakPolarHBondContact CD2-CG1 3.39Å
191	K	98.6	Very high	97.5	Very high	32 Å²	32	30.1 Å²	30.1	14%	0.139	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127	173.1	-64.2	88.2	167.9	-176.3	0	108.1	L161 L183 L186 H188 C255 M256	L161-K191 HydrophobicContact CB-CG 4.18Å; L161-K191 HydrophobicContact CD2-CG 4.22Å; L161-K191 CarbonylContact O-C 3.58Å; L161-K191 WeakPolarHBondContact O-CA 3.45Å; L183-K191 VanDerWaalsContact O-CE 3.26Å; L183-K191 WeakPolarHBondContact O-CE 3.39Å; L186-K191 WeakPolarHBondContact O-CE 3.35Å; L186-K191 PolarHBondContact O-NZ 3.19Å; H188-K191 HydrophobicContact CB-CD 4.4Å; H188-K191 WeakPolarHBondContact O-CD 3.46Å; H188-K191 WeakPolarHBondContact O-CE 3.38Å; H188-K191 PolarHBondContact O-NZ 2.93Å; K191-C255 HydrophobicContact CB-CB 3.79Å; K191-C255 CarbonylContact O-C 2.82Å; K191-C255 WeakPolarHBondContact O-CA 3.5Å; K191-C255 WeakPolarHBondContact O-CB 3.47Å; K191-M256 PolarHBondContact O-N 2.7Å
192	I	98.8	Very high	97.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.5	-177.9	-64.7	172.4	0	0	0	108.4	V160 L161 I162 V163 M256 L258 T263 V265 I270	V160-I192 HydrophobicContact CG1-CD1 3.9Å; V160-I192 HydrophobicContact CG1-CG1 4.36Å; L161-I192 PolarHBondContact O-N 2.82Å; I162-I192 WeakPolarHBondContact CA-O 3.42Å; I162-I192 HydrophobicContact CG1-CB 4.24Å; V163-I192 PolarHBondContact N-O 3.37Å; I192-M256 WeakPolarHBondContact CA-O 3.46Å; I192-M256 HydrophobicContact CD1-CE 4.06Å; I192-M256 HydrophobicContact CG1-CB 4.36Å; I192-M256 HydrophobicContact CG1-CE 3.63Å; I192-L258 HydrophobicContact CG2-CD1 3.56Å; I192-L258 HydrophobicContact CG2-CG 3.96Å; I192-T263 HydrophobicContact CD1-CG2 3.9Å; I192-T263 HydrophobicContact CG1-CG2 4.38Å; I192-V265 HydrophobicContact CD1-CG2 4.24Å; I192-I270 HydrophobicContact CD1-CB 4.35Å; I192-I270 HydrophobicContact CD1-CD1 3.33Å; I192-I270 HydrophobicContact CD1-CG1 4.39Å; I192-I270 HydrophobicContact CD1-CG2 4.2Å; I192-I270 HydrophobicContact CG2-CG2 4.5Å
193	L	98.6	Very high	97.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.3	-171.7	-174.7	62.9	0	0	0	110.8	V163 F167 F179 L252 C255 M256 F257 L258	V163-L193 HydrophobicContact CB-CD1 3.39Å; V163-L193 HydrophobicContact CG1-CD1 3.41Å; V163-L193 VanDerWaalsContact CG1-CD1 3.41Å; V163-L193 HydrophobicContact CG2-CD1 4.28Å; F167-L193 HydrophobicContact CD1-CD1 3.58Å; F167-L193 HydrophobicContact CD1-CG 4.43Å; F167-L193 HydrophobicContact CE1-CD1 3.47Å; F167-L193 VanDerWaalsContact CE1-CD1 3.47Å; F167-L193 HydrophobicContact CE1-CD2 3.82Å; F167-L193 HydrophobicContact CE1-CG 3.83Å; F167-L193 HydrophobicContact CE2-CD2 4.35Å; F167-L193 HydrophobicContact CG-CD1 4.39Å; F167-L193 HydrophobicContact CZ-CD1 4.18Å; F167-L193 HydrophobicContact CZ-CD2 3.69Å; F167-L193 HydrophobicContact CZ-CG 4.22Å; F179-L193 HydrophobicContact CE1-CD1 3.9Å; F179-L193 HydrophobicContact CE1-CD2 4.33Å; L193-L252 HydrophobicContact CD2-CD1 3.86Å; L193-L252 HydrophobicContact CD2-CD2 3.55Å; L193-L252 HydrophobicContact CD2-CG 4.27Å; L193-C255 HydrophobicContact CB-CB 4.42Å; L193-M256 PolarHBondContact N-O 2.67Å; L193-F257 HydrophobicContact CB-CD2 4.33Å; L193-F257 HydrophobicContact CD2-CD2 4.39Å; L193-F257 HydrophobicContact CG-CD2 4.17Å; L193-F257 WeakPolarHBondContact O-CA 3.28Å; L193-F257 WeakPolarHBondContact O-CD2 3.22Å; L193-L258 PolarHBondContact O-N 2.83Å
194	V	98.7	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.1	165.1	173.6	0	0	0	0	108.2	V163 G165 L258 T273 P274 V307	V163-V194 PolarHBondContact O-N 2.76Å; G165-V194 WeakPolarHBondContact CA-O 3.41Å; G165-V194 PolarHBondContact N-O 2.84Å; V194-L258 HydrophobicContact CG2-CB 4.15Å; V194-T273 WeakPolarHBondContact CG1-O 3.26Å; V194-P274 HydrophobicContact CG1-CB 4.11Å; V194-V307 HydrophobicContact CB-CG1 4.03Å; V194-V307 HydrophobicContact CG2-CB 3.84Å; V194-V307 HydrophobicContact CG2-CG1 3.61Å
195	A	98.6	Very high	97	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.			trans	-79.1	148.1	176.7	0	0	0	0	0	112	E199 L202 F257 P274 F284	A195-E199 HydrophobicContact CB-CB 3.98Å; A195-E199 HydrophobicContact CB-CG 4.46Å; A195-L202 HydrophobicContact CB-CB 4.36Å; A195-L202 HydrophobicContact CB-CD1 3.92Å; A195-F257 HydrophobicContact CB-CE2 3.87Å; A195-F257 HydrophobicContact CB-CZ 4.03Å; A195-P274 HydrophobicContact CB-CB 3.95Å; A195-P274 WeakPolarHBondContact O-CA 3.42Å; A195-P274 VanDerWaalsContact O-CB 3.22Å; A195-P274 WeakPolarHBondContact O-CB 3.37Å; A195-F284 HydrophobicContact CB-CD2 4.2Å; A195-F284 HydrophobicContact CB-CE2 3.43Å; A195-F284 VanDerWaalsContact CB-CE2 3.43Å; A195-F284 HydrophobicContact CB-CZ 3.93Å
196	G	98	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.			trans	-100.1	-168.3	168.6	0	0	0	0	0	112.9	N166 K198 E199	N166-G196 WeakPolarHBondContact OD1-CA 3.36Å; G196-K198 PolarHBondContact O-N 3.24Å; G196-E199 WeakPolarHBondContact CA-OE2 3.3Å; G196-E199 PolarHBondContact N-OE2 2.78Å
197	D	96.7	Very high	96.5	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.043	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.5	179.4	71.9	-36.9	0	0	0	112.9	N166 Q276 S279 M282 A283 H309	N166-D197 PolarHBondContact ND2-OD1 3.23Å; N166-D197 PolarHBondContact OD1-N 3.01Å; N166-D197 VanDerWaalsContact OD1-N 3.09Å; N166-D197 PolarHBondContact OD1-OD1 3.09Å; D197-Q276 HydrophobicContact CB-CG 4.01Å; D197-S279 WeakPolarHBondContact OD2-CB 3.46Å; D197-S279 PolarHBondContact OD2-OG 3.28Å; D197-M282 HydrophobicContact CB-CB 4Å; D197-M282 WeakPolarHBondContact O-CB 3.28Å; D197-A283 WeakPolarHBondContact O-CB 3.43Å; D197-A283 PolarHBondContact O-N 3.25Å; D197-A283 VanDerWaalsContact O-N 3.15Å; D197-H309 IonicContact OD1-NE2 3.77Å
198	K	95.8	Very high	96.2	Very high	24 Å²	24	27.3 Å²	27.3	10%	0.104	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.9	178.3	-63.9	179.9	-172	177.2	0	114.1	C147 N166 C170 G171 G196 L200	C147-K198 PolarHBondContact SG-NZ 3.03Å; N166-K198 HydrophobicContact CB-CD 4.19Å; N166-K198 WeakPolarHBondContact OD1-CB 3.41Å; N166-K198 WeakPolarHBondContact OD1-CG 3.35Å; N166-K198 PolarHBondContact OD1-N 3.06Å; C170-K198 CarbonylContact C-O 3.59Å; C170-K198 WeakPolarHBondContact CA-O 3.11Å; G171-K198 PolarHBondContact N-O 3Å; G196-K198 PolarHBondContact O-N 3.24Å; K198-L200 PolarHBondContact O-N 2.99Å
199	E	97.6	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.			trans	-78	62.4	180	-79.7	70.4	-112.4	0	0	112.4	N166 F167 T168 A195 G196 T201 L202	N166-E199 WeakPolarHBondContact CA-OE1 3.29Å; N166-E199 VanDerWaalsContact CA-OE2 3.31Å; N166-E199 WeakPolarHBondContact CA-OE2 3.46Å; N166-E199 PolarHBondContact N-OE2 2.91Å; F167-E199 HydrophobicContact CD1-CG 4.23Å; F167-E199 HydrophobicContact CE1-CG 3.57Å; F167-E199 HydrophobicContact CE2-CG 3.96Å; F167-E199 HydrophobicContact CZ-CG 3.44Å; F167-E199 VanDerWaalsContact CZ-CG 3.44Å; F167-E199 PolarHBondContact N-OE1 2.87Å; T168-E199 WeakPolarHBondContact CB-OE1 3.28Å; T168-E199 HydrophobicContact CG2-CG 4.21Å; T168-E199 PolarHBondContact N-OE1 3.13Å; T168-E199 PolarHBondContact OG1-OE1 2.91Å; A195-E199 HydrophobicContact CB-CB 3.98Å; A195-E199 HydrophobicContact CB-CG 4.46Å; G196-E199 WeakPolarHBondContact CA-OE2 3.3Å; G196-E199 PolarHBondContact N-OE2 2.78Å; E199-T201 VanDerWaalsContact C-N 3.29Å; E199-T201 PolarHBondContact O-N 2.9Å; E199-T201 VanDerWaalsContact O-N 3.17Å; E199-L202 HydrophobicContact CB-CB 4.2Å; E199-L202 HydrophobicContact CB-CD1 3.71Å; E199-L202 HydrophobicContact CB-CG 4.06Å; E199-L202 HydrophobicContact CG-CD1 3.81Å; E199-L202 WeakPolarHBondContact O-CB 3.09Å; E199-L202 PolarHBondContact O-N 2.77Å
200	L	96.7	Very high	94.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.5	-170.2	-64.6	176.1	0	0	0	114.9	C170 K198 W206 M232 L236 M282 A283	C170-L200 HydrophobicContact CB-CD1 4.25Å; C170-L200 WeakPolarHBondContact O-CB 3.23Å; C170-L200 WeakPolarHBondContact O-CD1 3.31Å; C170-L200 WeakPolarHBondContact O-CG 3.45Å; K198-L200 PolarHBondContact O-N 2.99Å; L200-W206 HydrophobicContact CB-CE3 4.01Å; L200-W206 HydrophobicContact CB-CH2 4.08Å; L200-W206 HydrophobicContact CB-CZ3 3.68Å; L200-W206 HydrophobicContact CD1-CH2 3.74Å; L200-W206 HydrophobicContact CD1-CZ2 4.18Å; L200-W206 HydrophobicContact CD1-CZ3 4.21Å; L200-W206 HydrophobicContact CD2-CD2 4.13Å; L200-W206 HydrophobicContact CD2-CE3 4.24Å; L200-W206 HydrophobicContact CD2-CH2 3.93Å; L200-W206 HydrophobicContact CD2-CZ2 3.77Å; L200-W206 HydrophobicContact CD2-CZ3 4.16Å; L200-W206 HydrophobicContact CG-CH2 4.14Å; L200-W206 HydrophobicContact CG-CZ2 4.45Å; L200-W206 HydrophobicContact CG-CZ3 4.23Å; L200-M232 HydrophobicContact CD1-SD 4.42Å; L200-L236 HydrophobicContact CB-CD1 3.6Å; L200-L236 HydrophobicContact CD1-CD1 3.77Å; L200-L236 HydrophobicContact CG-CD1 4.34Å; L200-M282 HydrophobicContact CD1-CE 4.46Å; L200-M282 HydrophobicContact CD2-CB 4.42Å; L200-M282 HydrophobicContact CD2-CE 3.94Å; L200-M282 HydrophobicContact CD2-SD 4.36Å; L200-M282 HydrophobicContact CG-CE 4.43Å; L200-A283 HydrophobicContact CD2-CB 4.1Å
201	T	97.4	Very high	93.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.9	179.1	56.5	0	0	0	0	113.6	G171 I176 E199 D203 L207 L236 M240 A248	G171-T201 WeakPolarHBondContact O-CB 3.32Å; G171-T201 WeakPolarHBondContact O-CG2 3.47Å; G171-T201 PolarHBondContact O-OG1 2.77Å; I176-T201 VanDerWaalsContact CD1-OG1 3.24Å; I176-T201 WeakPolarHBondContact CD1-OG1 3.42Å; E199-T201 VanDerWaalsContact C-N 3.29Å; E199-T201 PolarHBondContact O-N 2.9Å; E199-T201 VanDerWaalsContact O-N 3.17Å; T201-D203 VanDerWaalsContact C-N 3.29Å; T201-L207 HydrophobicContact CG2-CD2 4.44Å; T201-L236 HydrophobicContact CG2-CB 3.87Å; T201-L236 HydrophobicContact CG2-CD1 4.19Å; T201-L236 HydrophobicContact CG2-CD2 3.97Å; T201-L236 HydrophobicContact CG2-CG 4.23Å; T201-M240 HydrophobicContact CG2-CG 4.23Å; T201-M240 HydrophobicContact CG2-SD 4.32Å; T201-A248 WeakPolarHBondContact OG1-CB 3.34Å
202	L	98	Very high	91.1	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.9	173.2	-62.7	-178.9	0	0	0	111.4	F167 I176 A195 E199 K204 A248 D249 L252 F257 F284	F167-L202 HydrophobicContact CZ-CD1 3.97Å; I176-L202 HydrophobicContact CD1-CD2 4.19Å; I176-L202 HydrophobicContact CD1-CG 4.19Å; A195-L202 HydrophobicContact CB-CB 4.36Å; A195-L202 HydrophobicContact CB-CD1 3.92Å; E199-L202 HydrophobicContact CB-CB 4.2Å; E199-L202 HydrophobicContact CB-CD1 3.71Å; E199-L202 HydrophobicContact CB-CG 4.06Å; E199-L202 HydrophobicContact CG-CD1 3.81Å; E199-L202 WeakPolarHBondContact O-CB 3.09Å; E199-L202 PolarHBondContact O-N 2.77Å; L202-K204 PolarHBondContact O-N 2.94Å; L202-A248 HydrophobicContact CD2-CB 3.79Å; L202-D249 HydrophobicContact CD2-CB 4.34Å; L202-L252 HydrophobicContact CD1-CD1 4.04Å; L202-L252 HydrophobicContact CD2-CD1 4.04Å; L202-F257 HydrophobicContact CB-CZ 4.27Å; L202-F257 HydrophobicContact CD1-CE2 3.87Å; L202-F257 HydrophobicContact CD1-CZ 3.89Å; L202-F257 HydrophobicContact CG-CZ 4.47Å; L202-F284 HydrophobicContact CB-CE2 4.27Å; L202-F284 HydrophobicContact CB-CZ 4.02Å
203	D	96.8	Very high	89	Confident	9 Å²	9	41.7 Å²	41.7	5%	0.048	22%	0.218	C	C	.	.			trans	-88.5	92.2	169.9	-174.5	-12.2	0	0	0	111.4	T201 T205 W206 L207 A283 F284	T201-D203 VanDerWaalsContact C-N 3.29Å; D203-T205 PolarHBondContact O-N 2.88Å; D203-T205 WeakPolarHBondContact OD1-CA 3.42Å; D203-T205 VanDerWaalsContact OD1-CB 3.29Å; D203-T205 WeakPolarHBondContact OD1-CB 3.38Å; D203-T205 PolarHBondContact OD1-N 3.07Å; D203-W206 HydrophobicContact CB-CB 3.8Å; D203-W206 PolarHBondContact O-N 3.36Å; D203-W206 PolarHBondContact OD1-N 2.82Å; D203-W206 WeakPolarHBondContact OD2-CB 3.22Å; D203-L207 WeakPolarHBondContact O-CB 3.31Å; D203-L207 PolarHBondContact O-N 2.77Å; D203-A283 HydrophobicContact CB-CB 3.91Å; D203-F284 HydrophobicContact CB-CD1 3.98Å; D203-F284 HydrophobicContact CB-CD2 4.11Å; D203-F284 HydrophobicContact CB-CE1 3.77Å; D203-F284 HydrophobicContact CB-CE2 3.87Å; D203-F284 HydrophobicContact CB-CG 4.17Å; D203-F284 HydrophobicContact CB-CZ 3.72Å; D203-F284 WeakPolarHBondContact OD2-CA 3.37Å; D203-F284 PolarHBondContact OD2-N 2.99Å
204	K	94.2	Very high	87	Confident	104 Å²	104	47.3 Å²	47.3	45%	0.452	25%	0.252	S	S	.	.	H	α-helix	trans	-56	-33.6	176.2	-61.9	174.4	-173.6	174	0	112.3	L202 S208 D249	L202-K204 PolarHBondContact O-N 2.94Å; K204-S208 VanDerWaalsContact O-CB 3.23Å; K204-S208 WeakPolarHBondContact O-CB 3.12Å; K204-S208 PolarHBondContact O-N 3.01Å; K204-S208 PolarHBondContact O-OG 3.19Å; K204-D249 WeakPolarHBondContact CE-OD1 3.48Å; K204-D249 IonicContact NZ-OD1 3.33Å; K204-D249 PolarHBondContact NZ-OD1 2.86Å; K204-D249 VanDerWaalsContact NZ-OD1 3.13Å; K204-D249 IonicContact NZ-OD2 3.92Å; K204-D249 PolarHBondContact NZ-OD2 3.04Å
205	T	92.9	Very high	85	Confident	99 Å²	99	50 Å²	50	61%	0.607	28%	0.28	S	S	*	.	H	α-helix	trans	-73.5	-45.1	180	-55.7	0	0	0	0	110.7	D203 S208 R209	D203-T205 PolarHBondContact O-N 2.88Å; D203-T205 WeakPolarHBondContact OD1-CA 3.42Å; D203-T205 VanDerWaalsContact OD1-CB 3.29Å; D203-T205 WeakPolarHBondContact OD1-CB 3.38Å; D203-T205 PolarHBondContact OD1-N 3.07Å; T205-S208 PolarHBondContact O-N 2.85Å; T205-S208 PolarHBondContact O-OG 2.95Å; T205-R209 WeakPolarHBondContact O-CB 3.49Å; T205-R209 PolarHBondContact O-N 3.48Å
206	W	93.1	Very high	83.1	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-45.8	175.6	-178.9	99.4	0	0	0	111.4	L200 D203 S208 R209 E229 M232 K233 L236 T281	L200-W206 HydrophobicContact CB-CE3 4.01Å; L200-W206 HydrophobicContact CB-CH2 4.08Å; L200-W206 HydrophobicContact CB-CZ3 3.68Å; L200-W206 HydrophobicContact CD1-CH2 3.74Å; L200-W206 HydrophobicContact CD1-CZ2 4.18Å; L200-W206 HydrophobicContact CD1-CZ3 4.21Å; L200-W206 HydrophobicContact CD2-CD2 4.13Å; L200-W206 HydrophobicContact CD2-CE3 4.24Å; L200-W206 HydrophobicContact CD2-CH2 3.93Å; L200-W206 HydrophobicContact CD2-CZ2 3.77Å; L200-W206 HydrophobicContact CD2-CZ3 4.16Å; L200-W206 HydrophobicContact CG-CH2 4.14Å; L200-W206 HydrophobicContact CG-CZ2 4.45Å; L200-W206 HydrophobicContact CG-CZ3 4.23Å; D203-W206 HydrophobicContact CB-CB 3.8Å; D203-W206 PolarHBondContact O-N 3.36Å; D203-W206 PolarHBondContact OD1-N 2.82Å; D203-W206 WeakPolarHBondContact OD2-CB 3.22Å; W206-S208 PolarHBondContact O-N 3Å; W206-R209 PolarHBondContact O-N 3.36Å; W206-E229 HydrophobicContact CZ2-CG 3.95Å; W206-M232 HydrophobicContact CH2-CB 4.48Å; W206-K233 HydrophobicContact CE3-CG 4.17Å; W206-K233 HydrophobicContact CH2-CB 4.43Å; W206-K233 HydrophobicContact CH2-CD 4.28Å; W206-K233 HydrophobicContact CH2-CG 3.31Å; W206-K233 HydrophobicContact CZ2-CD 4.44Å; W206-K233 HydrophobicContact CZ2-CG 3.88Å; W206-K233 HydrophobicContact CZ3-CD 4.4Å; W206-K233 HydrophobicContact CZ3-CG 3.48Å; W206-K233 VanDerWaalsContact CZ3-CG 3.48Å; W206-K233 WeakPolarHBondContact O-CE 3.4Å; W206-K233 PolarHBondContact O-NZ 3.41Å; W206-L236 HydrophobicContact CH2-CD1 4.35Å; W206-L236 HydrophobicContact CZ3-CD1 4.07Å; W206-T281 PolarHBondContact NE1-O 3.16Å
207	L	92.5	Very high	80.9	Confident	21 Å²	21	54.5 Å²	54.5	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-33.9	-177.9	-170.5	65.7	0	0	0	111.9	T201 D203 L236 R237 M240	T201-L207 HydrophobicContact CG2-CD2 4.44Å; D203-L207 WeakPolarHBondContact O-CB 3.31Å; D203-L207 PolarHBondContact O-N 2.77Å; L207-L236 HydrophobicContact CD1-CB 4.09Å; L207-R237 HydrophobicContact CD1-CG 3.83Å; L207-R237 HydrophobicContact CG-CG 4.1Å; L207-R237 PolarHBondContact O-NE 3.34Å; L207-R237 PolarHBondContact O-NH2 2.7Å; L207-M240 HydrophobicContact CD2-CG 4.49Å
208	S	89.4	Confident	78.8	Confident	73 Å²	73	62.9 Å²	62.9	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-83.6	-24.9	179.2	59.8	0	0	0	0	114.2	K204 T205 W206 Q210 R237	K204-S208 VanDerWaalsContact O-CB 3.23Å; K204-S208 WeakPolarHBondContact O-CB 3.12Å; K204-S208 PolarHBondContact O-N 3.01Å; K204-S208 PolarHBondContact O-OG 3.19Å; T205-S208 PolarHBondContact O-N 2.85Å; T205-S208 PolarHBondContact O-OG 2.95Å; W206-S208 PolarHBondContact O-N 3Å; S208-Q210 PolarHBondContact O-N 2.93Å; S208-R237 PolarHBondContact O-NH2 3.07Å; S208-R237 VanDerWaalsContact O-NH2 3.13Å
209	R	84.3	Confident	76.8	Confident	88 Å²	88	72.1 Å²	72.1	33%	0.332	38%	0.38	S	S	.	.			trans	-50.8	110.1	-178.6	178.2	161.2	56	81.4	0	112.2	T205 W206 E229 K233	T205-R209 WeakPolarHBondContact O-CB 3.49Å; T205-R209 PolarHBondContact O-N 3.48Å; W206-R209 PolarHBondContact O-N 3.36Å; R209-E229 IonicContact CZ-OE1 3.14Å; R209-E229 IonicContact NH1-OE1 2.73Å; R209-E229 PolarHBondContact NH1-OE1 3.34Å; R209-E229 IonicContact NH1-OE2 3.6Å; R209-E229 IonicContact NH2-OE1 3.89Å; R209-E229 PolarHBondContact NH2-OE1 2.77Å; R209-K233 PolarHBondContact O-NZ 3.41Å
210	Q	72.2	Confident	74.5	Confident	158 Å²	158	77 Å²	77	74%	0.738	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-67.3	158.3	-179.5	-70	-97.9	-18.7	0	0	111.9	S208	S208-Q210 PolarHBondContact O-N 2.93Å
211	K	65.6	Low	72.3	Confident	130 Å²	130	80.6 Å²	80.6	57%	0.565	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-61.5	136.8	167.7	-67.2	-173.3	-176.5	-168.6	0	108.2	D230	K211-D230 VanDerWaalsContact CE-CG 3.49Å; K211-D230 WeakPolarHBondContact CE-OD2 3.43Å; K211-D230 IonicContact NZ-OD2 3.15Å
212	P	57.9	Low	70.3	Confident	54 Å²	54	89.7 Å²	89.7	35%	0.351	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-61.4	149.2	168	28.3	-32.8	0	0	0	109	A216	P212-A216 HydrophobicContact CB-CB 3.86Å; P212-A216 HydrophobicContact CG-CB 4.31Å
213	S	53.8	Low	68.5	Low	93 Å²	93	91.6 Å²	91.6	65%	0.65	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-50.9	155.4	-175.4	59.7	0	0	0	0	112.6	G215 A216 L217	S213-G215 PolarHBondContact O-N 2.88Å; S213-A216 PolarHBondContact O-N 2.88Å; S213-L217 PolarHBondContact O-N 3.2Å
214	V	57.4	Low	67.1	Low	118 Å²	118	96.2 Å²	96.2	72%	0.715	51%	0.505	S	S	*	.	H	α-helix	trans	-49.4	-30.5	-175.4	-175.8	0	0	0	0	112.9	A216 L217	V214-A216 PolarHBondContact O-N 3.15Å; V214-L217 VanDerWaalsContact O-CB 3.31Å; V214-L217 WeakPolarHBondContact O-CB 3.26Å; V214-L217 PolarHBondContact O-N 2.99Å
215	G	57.2	Low	65.4	Low	57 Å²	57	96.1 Å²	96.1	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-63	-35.6	174.8	0	0	0	0	0	114.7	S213	S213-G215 PolarHBondContact O-N 2.88Å
216	A	57.9	Low	64.1	Low	38 Å²	38	91.8 Å²	91.8	31%	0.314	48%	0.477	S	S	.	.	H	α-helix	trans	-82.3	-23	174.4	0	0	0	0	0	112.6	P212 S213 V214 K218 R219 R220	P212-A216 HydrophobicContact CB-CB 3.86Å; P212-A216 HydrophobicContact CG-CB 4.31Å; S213-A216 PolarHBondContact O-N 2.88Å; V214-A216 PolarHBondContact O-N 3.15Å; A216-K218 VanDerWaalsContact C-N 3.27Å; A216-K218 PolarHBondContact O-N 2.87Å; A216-R219 PolarHBondContact O-N 3.4Å; A216-R219 VanDerWaalsContact O-N 3.13Å; A216-R220 PolarHBondContact O-N 2.98Å
217	L	52	Low	62.9	Low	57 Å²	57	98.5 Å²	98.5	30%	0.298	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-33.4	179.1	-168.6	64.3	0	0	0	112.1	S213 V214 R219 R220 S221	S213-L217 PolarHBondContact O-N 3.2Å; V214-L217 VanDerWaalsContact O-CB 3.31Å; V214-L217 WeakPolarHBondContact O-CB 3.26Å; V214-L217 PolarHBondContact O-N 2.99Å; L217-R219 PolarHBondContact O-N 3.08Å; L217-R220 PolarHBondContact O-N 2.98Å; L217-S221 WeakPolarHBondContact O-CB 3.49Å; L217-S221 PolarHBondContact O-N 3.45Å
218	K	52.7	Low	62.2	Low	183 Å²	183	100.4 Å²	100.4	80%	0.796	51%	0.513	S	S	*	.	H	α-helix	trans	-54.3	-26.8	174.7	-83.8	-173.8	177.3	179.5	0	113.6	A216	A216-K218 VanDerWaalsContact C-N 3.27Å; A216-K218 PolarHBondContact O-N 2.87Å
219	R	53.7	Low	61.9	Low	219 Å²	219	97.2 Å²	97.2	83%	0.826	49%	0.49	S	S	*	.	H	α-helix	trans	-98.8	-32.8	178	-61.4	-170.9	-172.5	103.4	-2.4	113.8	A216 L217	A216-R219 PolarHBondContact O-N 3.4Å; A216-R219 VanDerWaalsContact O-N 3.13Å; L217-R219 PolarHBondContact O-N 3.08Å
220	R	49.9	Very low	62	Low	103 Å²	103	94.7 Å²	94.7	39%	0.389	48%	0.482	S	S	.	.	H	α-helix	trans	-88.8	-32.7	-176.8	-116.1	175.3	83.3	133.4	6.1	114.6	A216 L217 K222 S223 E229	A216-R220 PolarHBondContact O-N 2.98Å; L217-R220 PolarHBondContact O-N 2.98Å; R220-K222 PolarHBondContact O-N 3.35Å; R220-K222 VanDerWaalsContact O-N 3.08Å; R220-S223 PolarHBondContact O-N 2.82Å; R220-S223 PolarHBondContact O-OG 3.3Å; R220-S223 VanDerWaalsContact O-OG 3.13Å; R220-E229 IonicContact NH2-OE2 2.9Å; R220-E229 PolarHBondContact NH2-OE2 2.9Å
221	S	50.5	Low	62.7	Low	75 Å²	75	89.8 Å²	89.8	52%	0.524	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.9	-173.6	-156.8	0	0	0	0	114.2	L217	L217-S221 WeakPolarHBondContact O-CB 3.49Å; L217-S221 PolarHBondContact O-N 3.45Å
222	K	53.7	Low	63.8	Low	193 Å²	193	85.8 Å²	85.8	84%	0.839	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.1	173.3	-71.8	-174.5	178	179.3	0	113.7	R220	R220-K222 PolarHBondContact O-N 3.35Å; R220-K222 VanDerWaalsContact O-N 3.08Å
223	S	60.9	Low	65.5	Low	48 Å²	48	83.6 Å²	83.6	34%	0.336	43%	0.434	S	S	.	.			trans	-89.9	125.4	177.6	75	0	0	0	0	111	R220 Y225 G226	R220-S223 PolarHBondContact O-N 2.82Å; R220-S223 PolarHBondContact O-OG 3.3Å; R220-S223 VanDerWaalsContact O-OG 3.13Å; S223-Y225 PolarHBondContact O-N 3.41Å; S223-Y225 VanDerWaalsContact O-N 3.09Å; S223-G226 PolarHBondContact O-N 3.29Å; S223-G226 VanDerWaalsContact O-N 3.13Å; S223-G226 PolarHBondContact OG-N 3.18Å
224	V	67.3	Low	67.3	Low	106 Å²	106	85.4 Å²	85.4	64%	0.642	43%	0.433	S	S	*	.	H	α-helix	trans	-49.9	-34.6	172.3	175.6	0	0	0	0	111.3	R228	V224-R228 VanDerWaalsContact O-CG 3.25Å; V224-R228 WeakPolarHBondContact O-CG 3.07Å; V224-R228 PolarHBondContact O-N 2.6Å
225	Y	58.8	Low	69	Low	102 Å²	102	82 Å²	82	40%	0.4	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-44.4	-180	-64.3	-76	0	0	0	113.7	S223 R228 E229	S223-Y225 PolarHBondContact O-N 3.41Å; S223-Y225 VanDerWaalsContact O-N 3.09Å; Y225-R228 PolarHBondContact O-N 3.47Å; Y225-E229 PolarHBondContact O-N 2.89Å; Y225-E229 VanDerWaalsContact O-N 3.1Å
226	G	66.2	Low	70.9	Confident	8 Å²	8	79.6 Å²	79.6	8%	0.082	39%	0.39	C	S	.	.	H	α-helix	trans	-64.5	-41.8	-179.9	0	0	0	0	0	112.8	S223 R228 E229 D230	S223-G226 PolarHBondContact O-N 3.29Å; S223-G226 VanDerWaalsContact O-N 3.13Å; S223-G226 PolarHBondContact OG-N 3.18Å; G226-R228 VanDerWaalsContact C-N 3.29Å; G226-R228 PolarHBondContact O-N 2.97Å; G226-E229 PolarHBondContact O-N 3.09Å; G226-D230 PolarHBondContact O-N 2.98Å
227	F	67.6	Low	72.7	Confident	144 Å²	144	82.3 Å²	82.3	63%	0.632	39%	0.392	S	S	*	.	H	α-helix	trans	-61.6	-37.8	176.9	-178.6	-97.5	0	0	0	112.5	S231	F227-S231 WeakPolarHBondContact O-CB 2.87Å; F227-S231 PolarHBondContact O-N 2.85Å; F227-S231 VanDerWaalsContact O-N 3.1Å; F227-S231 PolarHBondContact O-OG 2.86Å
228	R	76.6	Confident	74.7	Confident	62 Å²	62	85.9 Å²	85.9	23%	0.234	41%	0.406	C	S	.	.	H	α-helix	trans	-69.2	-44.3	178.1	-70.9	173.5	67.6	123	6	112.4	M9 S13 V224 Y225 G226 D230 S231 M232	M9-R228 PolarHBondContact O-NH1 3.27Å; M9-R228 PolarHBondContact O-NH2 2.84Å; S13-R228 VanDerWaalsContact CB-NH1 3.34Å; S13-R228 VanDerWaalsContact CB-NH2 3.29Å; S13-R228 PolarHBondContact OG-NH2 3.23Å; V224-R228 VanDerWaalsContact O-CG 3.25Å; V224-R228 WeakPolarHBondContact O-CG 3.07Å; V224-R228 PolarHBondContact O-N 2.6Å; Y225-R228 PolarHBondContact O-N 3.47Å; G226-R228 VanDerWaalsContact C-N 3.29Å; G226-R228 PolarHBondContact O-N 2.97Å; R228-D230 VanDerWaalsContact C-N 3.33Å; R228-D230 PolarHBondContact O-N 3.2Å; R228-S231 PolarHBondContact O-N 3.14Å; R228-M232 WeakPolarHBondContact O-CG 3.12Å; R228-M232 PolarHBondContact O-N 3.38Å
229	E	84.1	Confident	76.8	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.028	37%	0.372	C	S	.	.	H	α-helix	trans	-56.4	-48.3	175.9	-168.8	-166.1	155.8	0	0	111	W206 R209 R220 Y225 G226 S231 M232 K233	W206-E229 HydrophobicContact CZ2-CG 3.95Å; R209-E229 IonicContact CZ-OE1 3.14Å; R209-E229 IonicContact NH1-OE1 2.73Å; R209-E229 PolarHBondContact NH1-OE1 3.34Å; R209-E229 IonicContact NH1-OE2 3.6Å; R209-E229 IonicContact NH2-OE1 3.89Å; R209-E229 PolarHBondContact NH2-OE1 2.77Å; R220-E229 IonicContact NH2-OE2 2.9Å; R220-E229 PolarHBondContact NH2-OE2 2.9Å; Y225-E229 PolarHBondContact O-N 2.89Å; Y225-E229 VanDerWaalsContact O-N 3.1Å; G226-E229 PolarHBondContact O-N 3.09Å; E229-S231 PolarHBondContact O-N 2.88Å; E229-M232 PolarHBondContact O-N 2.97Å; E229-K233 WeakPolarHBondContact O-CG 3.4Å; E229-K233 PolarHBondContact O-N 2.88Å; E229-K233 WeakPolarHBondContact OE1-CE 3.42Å; E229-K233 IonicContact OE1-NZ 2.84Å; E229-K233 PolarHBondContact OE1-NZ 2.87Å
230	D	85.3	Confident	78.9	Confident	34 Å²	34	67.9 Å²	67.9	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-41	-179.8	-73.9	-16.9	0	0	0	112.4	K211 G226 R228 K233 H234	K211-D230 VanDerWaalsContact CE-CG 3.49Å; K211-D230 WeakPolarHBondContact CE-OD2 3.43Å; K211-D230 IonicContact NZ-OD2 3.15Å; G226-D230 PolarHBondContact O-N 2.98Å; R228-D230 VanDerWaalsContact C-N 3.33Å; R228-D230 PolarHBondContact O-N 3.2Å; D230-K233 PolarHBondContact O-N 3.28Å; D230-H234 WeakPolarHBondContact O-CB 3.32Å; D230-H234 PolarHBondContact O-N 3.12Å
231	S	87.2	Confident	81.1	Confident	55 Å²	55	71.1 Å²	71.1	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178.2	-59	0	0	0	0	111.6	F227 R228 E229 H234 A235	F227-S231 WeakPolarHBondContact O-CB 2.87Å; F227-S231 PolarHBondContact O-N 2.85Å; F227-S231 VanDerWaalsContact O-N 3.1Å; F227-S231 PolarHBondContact O-OG 2.86Å; R228-S231 PolarHBondContact O-N 3.14Å; E229-S231 PolarHBondContact O-N 2.88Å; S231-H234 PolarHBondContact O-N 2.91Å; S231-A235 WeakPolarHBondContact O-CB 3.45Å; S231-A235 PolarHBondContact O-N 2.85Å
232	M	90.2	Very high	83.3	Confident	47 Å²	47	72 Å²	72	23%	0.232	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-46.7	174.9	-70.7	-173.9	-59	0	0	111.2	L200 W206 R228 E229 H234 A235 L236	L200-M232 HydrophobicContact CD1-SD 4.42Å; W206-M232 HydrophobicContact CH2-CB 4.48Å; R228-M232 WeakPolarHBondContact O-CG 3.12Å; R228-M232 PolarHBondContact O-N 3.38Å; E229-M232 PolarHBondContact O-N 2.97Å; M232-H234 VanDerWaalsContact C-N 3.34Å; M232-H234 PolarHBondContact O-N 2.97Å; M232-A235 PolarHBondContact O-N 3.49Å; M232-L236 WeakPolarHBondContact O-CB 3.44Å; M232-L236 VanDerWaalsContact O-CG 3.27Å; M232-L236 WeakPolarHBondContact O-CG 3.27Å; M232-L236 PolarHBondContact O-N 3.3Å
233	K	92.1	Very high	85.4	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.03	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-45.5	175.8	-75.7	-176.9	-174.7	-172.9	0	112.4	W206 R209 E229 D230 L236 R237	W206-K233 HydrophobicContact CE3-CG 4.17Å; W206-K233 HydrophobicContact CH2-CB 4.43Å; W206-K233 HydrophobicContact CH2-CD 4.28Å; W206-K233 HydrophobicContact CH2-CG 3.31Å; W206-K233 HydrophobicContact CZ2-CD 4.44Å; W206-K233 HydrophobicContact CZ2-CG 3.88Å; W206-K233 HydrophobicContact CZ3-CD 4.4Å; W206-K233 HydrophobicContact CZ3-CG 3.48Å; W206-K233 VanDerWaalsContact CZ3-CG 3.48Å; W206-K233 WeakPolarHBondContact O-CE 3.4Å; W206-K233 PolarHBondContact O-NZ 3.41Å; R209-K233 PolarHBondContact O-NZ 3.41Å; E229-K233 WeakPolarHBondContact O-CG 3.4Å; E229-K233 PolarHBondContact O-N 2.88Å; E229-K233 WeakPolarHBondContact OE1-CE 3.42Å; E229-K233 IonicContact OE1-NZ 2.84Å; E229-K233 PolarHBondContact OE1-NZ 2.87Å; D230-K233 PolarHBondContact O-N 3.28Å; K233-L236 PolarHBondContact O-N 3.3Å; K233-R237 WeakPolarHBondContact O-CB 3.32Å; K233-R237 VanDerWaalsContact O-CG 3.24Å; K233-R237 WeakPolarHBondContact O-CG 3.33Å; K233-R237 PolarHBondContact O-N 3.11Å
234	H	92	Very high	87.1	Confident	132 Å²	132	74.5 Å²	74.5	61%	0.611	36%	0.355	S	S	*	.	H	α-helix	trans	-61.5	-46.7	179	-179.6	75	0	0	0	111.5	D230 S231 M232 K238	D230-H234 WeakPolarHBondContact O-CB 3.32Å; D230-H234 PolarHBondContact O-N 3.12Å; S231-H234 PolarHBondContact O-N 2.91Å; M232-H234 VanDerWaalsContact C-N 3.34Å; M232-H234 PolarHBondContact O-N 2.97Å; H234-K238 WeakPolarHBondContact O-CB 3.23Å; H234-K238 PolarHBondContact O-N 3.24Å
235	A	94.1	Very high	88.4	Confident	47 Å²	47	70.5 Å²	70.5	39%	0.388	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-46.3	178.1	0	0	0	0	0	112.2	S231 M232 K238 A239	S231-A235 WeakPolarHBondContact O-CB 3.45Å; S231-A235 PolarHBondContact O-N 2.85Å; M232-A235 PolarHBondContact O-N 3.49Å; A235-K238 PolarHBondContact O-N 2.94Å; A235-A239 PolarHBondContact O-N 3.14Å
236	L	95.9	Very high	90	Very high	6 Å²	6	70.3 Å²	70.3	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-67.4	-42.2	-179.9	-67	172	0	0	0	112.3	H172 L200 T201 W206 L207 M232 K233 K238 A239 M240	H172-L236 HydrophobicContact CB-CD2 4.17Å; L200-L236 HydrophobicContact CB-CD1 3.6Å; L200-L236 HydrophobicContact CD1-CD1 3.77Å; L200-L236 HydrophobicContact CG-CD1 4.34Å; T201-L236 HydrophobicContact CG2-CB 3.87Å; T201-L236 HydrophobicContact CG2-CD1 4.19Å; T201-L236 HydrophobicContact CG2-CD2 3.97Å; T201-L236 HydrophobicContact CG2-CG 4.23Å; W206-L236 HydrophobicContact CH2-CD1 4.35Å; W206-L236 HydrophobicContact CZ3-CD1 4.07Å; L207-L236 HydrophobicContact CD1-CB 4.09Å; M232-L236 WeakPolarHBondContact O-CB 3.44Å; M232-L236 VanDerWaalsContact O-CG 3.27Å; M232-L236 WeakPolarHBondContact O-CG 3.27Å; M232-L236 PolarHBondContact O-N 3.3Å; K233-L236 PolarHBondContact O-N 3.3Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.43Å; L236-A239 PolarHBondContact O-N 2.63Å; L236-M240 VanDerWaalsContact O-CG 3.25Å; L236-M240 WeakPolarHBondContact O-CG 3.38Å; L236-M240 PolarHBondContact O-N 2.92Å
237	R	95.1	Very high	91.3	Very high	94 Å²	94	71.5 Å²	71.5	36%	0.355	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-42.2	173.6	-73.8	176.9	-175.8	171.2	-3.2	111.7	L207 S208 K233 A239 M240 F241	L207-R237 HydrophobicContact CD1-CG 3.83Å; L207-R237 HydrophobicContact CG-CG 4.1Å; L207-R237 PolarHBondContact O-NE 3.34Å; L207-R237 PolarHBondContact O-NH2 2.7Å; S208-R237 PolarHBondContact O-NH2 3.07Å; S208-R237 VanDerWaalsContact O-NH2 3.13Å; K233-R237 WeakPolarHBondContact O-CB 3.32Å; K233-R237 VanDerWaalsContact O-CG 3.24Å; K233-R237 WeakPolarHBondContact O-CG 3.33Å; K233-R237 PolarHBondContact O-N 3.11Å; R237-A239 VanDerWaalsContact C-N 3.33Å; R237-M240 PolarHBondContact O-N 3.17Å; R237-F241 VanDerWaalsContact O-CB 3.31Å; R237-F241 WeakPolarHBondContact O-CB 3.25Å; R237-F241 PolarHBondContact O-N 3.43Å
238	K	95.6	Very high	92.7	Very high	133 Å²	133	64.7 Å²	64.7	58%	0.578	32%	0.319	S	S	*	.	H	α-helix	trans	-61.9	-42.7	175.5	-175.9	178.7	178	-179.2	0	111	H234 A235 L236 F241 T242	H234-K238 WeakPolarHBondContact O-CB 3.23Å; H234-K238 PolarHBondContact O-N 3.24Å; A235-K238 PolarHBondContact O-N 2.94Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.43Å; K238-F241 PolarHBondContact O-N 2.85Å; K238-T242 VanDerWaalsContact O-CB 3.3Å; K238-T242 WeakPolarHBondContact O-CB 3.36Å; K238-T242 PolarHBondContact O-N 2.87Å; K238-T242 PolarHBondContact O-OG1 2.95Å
239	A	97	Very high	93.7	Very high	11 Å²	11	63.9 Å²	63.9	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-50.8	176.5	0	0	0	0	0	111.8	H172 P173 A235 L236 R237 F241 T242 Q243	H172-A239 WeakPolarHBondContact NE2-CB 3.42Å; P173-A239 HydrophobicContact CG-CB 4.23Å; A235-A239 PolarHBondContact O-N 3.14Å; L236-A239 PolarHBondContact O-N 2.63Å; R237-A239 VanDerWaalsContact C-N 3.33Å; A239-F241 VanDerWaalsContact C-N 3.34Å; A239-F241 PolarHBondContact O-N 3.26Å; A239-T242 PolarHBondContact O-N 3.1Å; A239-Q243 WeakPolarHBondContact O-CB 3.46Å; A239-Q243 WeakPolarHBondContact O-CG 3.06Å; A239-Q243 PolarHBondContact O-N 3.48Å
240	M	96.7	Very high	94.2	Very high	13 Å²	13	67.9 Å²	67.9	6%	0.064	34%	0.341	C	S	.	.	H	α-helix	trans	-54.1	-49.8	175.3	-69.2	-76.1	-72.7	0	0	111.3	P173 T201 L207 L236 R237 Q243 R244 I245 A248	P173-M240 HydrophobicContact CG-CG 4.1Å; P173-M240 HydrophobicContact CG-SD 3.71Å; T201-M240 HydrophobicContact CG2-CG 4.23Å; T201-M240 HydrophobicContact CG2-SD 4.32Å; L207-M240 HydrophobicContact CD2-CG 4.49Å; L236-M240 VanDerWaalsContact O-CG 3.25Å; L236-M240 WeakPolarHBondContact O-CG 3.38Å; L236-M240 PolarHBondContact O-N 2.92Å; R237-M240 PolarHBondContact O-N 3.17Å; M240-Q243 PolarHBondContact O-N 2.9Å; M240-R244 PolarHBondContact O-N 3.41Å; M240-R244 VanDerWaalsContact O-N 3.13Å; M240-I245 HydrophobicContact CE-CB 4.11Å; M240-I245 HydrophobicContact CE-CG2 3.56Å; M240-I245 PolarHBondContact O-N 3.46Å; M240-I245 HydrophobicContact SD-CB 3.95Å; M240-I245 HydrophobicContact SD-CG2 3.67Å; M240-A248 HydrophobicContact CE-CB 4.07Å; M240-A248 HydrophobicContact SD-CB 4.01Å
241	F	96.2	Very high	94.9	Very high	171 Å²	171	67 Å²	67	75%	0.75	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-47.1	179.4	179.6	-97.2	0	0	0	112.7	R237 K238 A239 Q243 R244	R237-F241 VanDerWaalsContact O-CB 3.31Å; R237-F241 WeakPolarHBondContact O-CB 3.25Å; R237-F241 PolarHBondContact O-N 3.43Å; K238-F241 PolarHBondContact O-N 2.85Å; A239-F241 VanDerWaalsContact C-N 3.34Å; A239-F241 PolarHBondContact O-N 3.26Å; F241-Q243 VanDerWaalsContact C-N 3.26Å; F241-Q243 PolarHBondContact O-N 3.27Å; F241-R244 PolarHBondContact O-N 3.48Å
242	T	97.3	Very high	95.4	Very high	92 Å²	92	65 Å²	65	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-65.1	-33	-177.1	-52	0	0	0	0	111.8	K238 A239 R244	K238-T242 VanDerWaalsContact O-CB 3.3Å; K238-T242 WeakPolarHBondContact O-CB 3.36Å; K238-T242 PolarHBondContact O-N 2.87Å; K238-T242 PolarHBondContact O-OG1 2.95Å; A239-T242 PolarHBondContact O-N 3.1Å; T242-R244 VanDerWaalsContact C-N 3.34Å
243	Q	97	Very high	95.8	Very high	64 Å²	64	67.3 Å²	67.3	30%	0.299	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3	176.8	-62.8	-174.4	31.2	0	0	113.5	D174 A239 M240 F241 I245	D174-Q243 PolarHBondContact OD1-NE2 2.77Å; A239-Q243 WeakPolarHBondContact O-CB 3.46Å; A239-Q243 WeakPolarHBondContact O-CG 3.06Å; A239-Q243 PolarHBondContact O-N 3.48Å; M240-Q243 PolarHBondContact O-N 2.9Å; F241-Q243 VanDerWaalsContact C-N 3.26Å; F241-Q243 PolarHBondContact O-N 3.27Å; Q243-I245 VanDerWaalsContact C-N 3.28Å; Q243-I245 HydrophobicContact CB-CD1 3.58Å; Q243-I245 HydrophobicContact CB-CG1 3.86Å; Q243-I245 HydrophobicContact CG-CD1 4.46Å; Q243-I245 PolarHBondContact O-N 2.95Å
244	R	96.6	Very high	96.1	Very high	230 Å²	230	70 Å²	70	87%	0.868	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	39.1	-176.9	-56	-174.9	175.7	93.8	-2	113.6	M240 F241 T242	M240-R244 PolarHBondContact O-N 3.41Å; M240-R244 VanDerWaalsContact O-N 3.13Å; F241-R244 PolarHBondContact O-N 3.48Å; T242-R244 VanDerWaalsContact C-N 3.34Å
245	I	96	Very high	96.4	Very high	22 Å²	22	64.9 Å²	64.9	11%	0.113	33%	0.331	C	S	.	.			trans	-95.8	118.4	178.5	-58.7	164.3	0	0	0	108.4	P173 M240 Q243 T247 L251	P173-I245 HydrophobicContact CB-CD1 3.56Å; P173-I245 HydrophobicContact CG-CD1 4.06Å; M240-I245 HydrophobicContact CE-CB 4.11Å; M240-I245 HydrophobicContact CE-CG2 3.56Å; M240-I245 PolarHBondContact O-N 3.46Å; M240-I245 HydrophobicContact SD-CB 3.95Å; M240-I245 HydrophobicContact SD-CG2 3.67Å; Q243-I245 VanDerWaalsContact C-N 3.28Å; Q243-I245 HydrophobicContact CB-CD1 3.58Å; Q243-I245 HydrophobicContact CB-CG1 3.86Å; Q243-I245 HydrophobicContact CG-CD1 4.46Å; Q243-I245 PolarHBondContact O-N 2.95Å; I245-T247 VanDerWaalsContact CG2-O 3.23Å; I245-T247 WeakPolarHBondContact CG2-O 3.5Å; I245-L251 HydrophobicContact CD1-CD1 4Å; I245-L251 HydrophobicContact CD1-CD2 4Å; I245-L251 HydrophobicContact CD1-CG 4.39Å; I245-L251 HydrophobicContact CG1-CD2 4.32Å
246	S	91.6	Very high	96.6	Very high	98 Å²	98	65.3 Å²	65.3	69%	0.685	33%	0.326	S	S	*	.	S	Bend	trans	-72.4	-53.7	172.6	35.3	0	0	0	0	111.1	D250	S246-D250 PolarHBondContact OG-OD2 2.91Å; S246-D250 VanDerWaalsContact OG-OD2 3.11Å
247	T	93.7	Very high	96.7	Very high	33 Å²	33	67.1 Å²	67.1	20%	0.202	33%	0.334	C	S	.	.			trans	-134.6	134.4	-176.9	78	0	0	0	0	109.8	I245 D249 D250	I245-T247 VanDerWaalsContact CG2-O 3.23Å; I245-T247 WeakPolarHBondContact CG2-O 3.5Å; T247-D249 WeakPolarHBondContact CB-OD1 3.34Å; T247-D249 PolarHBondContact O-N 3.39Å; T247-D249 PolarHBondContact OG1-OD1 3.39Å; T247-D249 VanDerWaalsContact OG1-OD1 3.11Å; T247-D250 PolarHBondContact N-OD2 3.12Å; T247-D250 WeakPolarHBondContact O-CB 3.35Å; T247-D250 PolarHBondContact O-N 2.89Å; T247-D250 PolarHBondContact OG1-OD1 2.92Å; T247-D250 PolarHBondContact OG1-OD2 2.95Å
248	A	96.9	Very high	96.9	Very high	1 Å²	1	63 Å²	63	1%	0.008	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-73.1	-20.4	-172.4	0	0	0	0	0	112.1	I176 T201 L202 M240 D250 L251	I176-A248 HydrophobicContact CD1-CB 3.93Å; T201-A248 WeakPolarHBondContact OG1-CB 3.34Å; L202-A248 HydrophobicContact CD2-CB 3.79Å; M240-A248 HydrophobicContact CE-CB 4.07Å; M240-A248 HydrophobicContact SD-CB 4.01Å; A248-D250 PolarHBondContact O-N 3.35Å; A248-L251 WeakPolarHBondContact O-CB 3.37Å; A248-L251 PolarHBondContact O-N 3.02Å
249	D	96.4	Very high	97	Very high	46 Å²	46	58.9 Å²	58.9	25%	0.246	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-59.4	-30.9	169.1	37.3	-47.8	0	0	0	112.6	L202 K204 T247 L251 L252 F257	L202-D249 HydrophobicContact CD2-CB 4.34Å; K204-D249 WeakPolarHBondContact CE-OD1 3.48Å; K204-D249 IonicContact NZ-OD1 3.33Å; K204-D249 PolarHBondContact NZ-OD1 2.86Å; K204-D249 VanDerWaalsContact NZ-OD1 3.13Å; K204-D249 IonicContact NZ-OD2 3.92Å; K204-D249 PolarHBondContact NZ-OD2 3.04Å; T247-D249 WeakPolarHBondContact CB-OD1 3.34Å; T247-D249 PolarHBondContact O-N 3.39Å; T247-D249 PolarHBondContact OG1-OD1 3.39Å; T247-D249 VanDerWaalsContact OG1-OD1 3.11Å; D249-L251 PolarHBondContact O-N 2.95Å; D249-L252 WeakPolarHBondContact O-CB 3.16Å; D249-L252 PolarHBondContact O-N 3.21Å; D249-F257 HydrophobicContact CB-CD1 4.06Å; D249-F257 HydrophobicContact CB-CE1 4.26Å
250	D	96.5	Very high	97	Very high	90 Å²	90	60.6 Å²	60.6	48%	0.481	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.9	-17.6	176.5	-60.9	-38.8	0	0	0	113.1	S246 T247 A248	S246-D250 PolarHBondContact OG-OD2 2.91Å; S246-D250 VanDerWaalsContact OG-OD2 3.11Å; T247-D250 PolarHBondContact N-OD2 3.12Å; T247-D250 WeakPolarHBondContact O-CB 3.35Å; T247-D250 PolarHBondContact O-N 2.89Å; T247-D250 PolarHBondContact OG1-OD1 2.92Å; T247-D250 PolarHBondContact OG1-OD2 2.95Å; A248-D250 PolarHBondContact O-N 3.35Å
251	L	98.2	Very high	97.1	Very high	16 Å²	16	62 Å²	62	8%	0.084	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-81.8	-13.8	177.6	-58.7	179.1	0	0	0	113.5	P173 I176 N180 I245 A248 D249 T253	P173-L251 HydrophobicContact CB-CD1 3.99Å; I176-L251 HydrophobicContact CB-CD1 4.07Å; I176-L251 HydrophobicContact CG2-CB 3.74Å; I176-L251 HydrophobicContact CG2-CD1 4.01Å; N180-L251 WeakPolarHBondContact CB-O 3.38Å; N180-L251 PolarHBondContact ND2-O 3.2Å; N180-L251 PolarHBondContact OD1-O 3.43Å; I245-L251 HydrophobicContact CD1-CD1 4Å; I245-L251 HydrophobicContact CD1-CD2 4Å; I245-L251 HydrophobicContact CD1-CG 4.39Å; I245-L251 HydrophobicContact CG1-CD2 4.32Å; A248-L251 WeakPolarHBondContact O-CB 3.37Å; A248-L251 PolarHBondContact O-N 3.02Å; D249-L251 PolarHBondContact O-N 2.95Å; L251-T253 PolarHBondContact O-N 2.82Å
252	L	98.3	Very high	97.2	Very high	11 Å²	11	57.1 Å²	57.1	6%	0.058	31%	0.307	C	S	.	.			trans	-92.9	61.6	-173.2	-67.1	171.9	0	0	0	111.2	I176 N180 L193 L202 D249 F257	I176-L252 HydrophobicContact CG2-CD2 3.67Å; I176-L252 HydrophobicContact CG2-CG 3.95Å; N180-L252 HydrophobicContact CB-CD2 4.48Å; N180-L252 VanDerWaalsContact OD1-C 3.28Å; N180-L252 WeakPolarHBondContact OD1-CA 3.35Å; L193-L252 HydrophobicContact CD2-CD1 3.86Å; L193-L252 HydrophobicContact CD2-CD2 3.55Å; L193-L252 HydrophobicContact CD2-CG 4.27Å; L202-L252 HydrophobicContact CD1-CD1 4.04Å; L202-L252 HydrophobicContact CD2-CD1 4.04Å; D249-L252 WeakPolarHBondContact O-CB 3.16Å; D249-L252 PolarHBondContact O-N 3.21Å; L252-F257 HydrophobicContact CB-CB 4.47Å; L252-F257 HydrophobicContact CD1-CB 3.94Å; L252-F257 HydrophobicContact CD1-CD1 4.26Å; L252-F257 HydrophobicContact CD1-CD2 3.73Å; L252-F257 HydrophobicContact CD1-CE2 4.31Å; L252-F257 HydrophobicContact CD1-CG 3.7Å
253	T	98.2	Very high	97.2	Very high	97 Å²	97	53.8 Å²	53.8	60%	0.595	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-20.8	-173.4	57.6	0	0	0	0	115.1	N180 L251	N180-T253 PolarHBondContact ND2-OG1 2.95Å; N180-T253 PolarHBondContact OD1-N 3.49Å; L251-T253 PolarHBondContact O-N 2.82Å
254	N	98.5	Very high	97.1	Very high	64 Å²	64	56.1 Å²	56.1	34%	0.342	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.9	-177.4	-70.2	-43.4	0	0	0	113.1	N180 L183 G184	N180-N254 PolarHBondContact ND2-ND2 3.25Å; N180-N254 PolarHBondContact O-ND2 3.04Å; N180-N254 PolarHBondContact OD1-N 2.78Å; L183-N254 HydrophobicContact CB-CB 4.17Å; G184-N254 WeakPolarHBondContact CA-ND2 3.46Å
255	C	98.5	Very high	97	Very high	23 Å²	23	45.3 Å²	45.3	16%	0.155	26%	0.257	C	S	.	.	S	Bend	trans	-149.6	167.1	178.9	67.4	0	0	0	0	113.1	L183 K191 L193	L183-C255 HydrophobicContact CD1-CB 3.93Å; K191-C255 HydrophobicContact CB-CB 3.79Å; K191-C255 CarbonylContact O-C 2.82Å; K191-C255 WeakPolarHBondContact O-CA 3.5Å; K191-C255 WeakPolarHBondContact O-CB 3.47Å; L193-C255 HydrophobicContact CB-CB 4.42Å
256	M	98.4	Very high	96.7	Very high	56 Å²	56	45.7 Å²	45.7	28%	0.276	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	100.9	165.6	-66.9	179.2	-70.7	0	0	108.2	H190 K191 I192 L193 T263 V265	H190-M256 HydrophobicContact CB-CE 4.08Å; K191-M256 PolarHBondContact O-N 2.7Å; I192-M256 WeakPolarHBondContact CA-O 3.46Å; I192-M256 HydrophobicContact CD1-CE 4.06Å; I192-M256 HydrophobicContact CG1-CB 4.36Å; I192-M256 HydrophobicContact CG1-CE 3.63Å; L193-M256 PolarHBondContact N-O 2.67Å; M256-T263 HydrophobicContact CE-CG2 4.21Å; M256-T263 HydrophobicContact SD-CG2 4.12Å; M256-T263 PolarHBondContact SD-OG1 3.09Å; M256-V265 HydrophobicContact CE-CG2 3.57Å
257	F	98.6	Very high	96.8	Very high	45 Å²	45	41.9 Å²	41.9	20%	0.197	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.8	173.8	179	-118.6	0	0	0	110.7	L193 A195 L202 D249 L252 C259	L193-F257 HydrophobicContact CB-CD2 4.33Å; L193-F257 HydrophobicContact CD2-CD2 4.39Å; L193-F257 HydrophobicContact CG-CD2 4.17Å; L193-F257 WeakPolarHBondContact O-CA 3.28Å; L193-F257 WeakPolarHBondContact O-CD2 3.22Å; A195-F257 HydrophobicContact CB-CE2 3.87Å; A195-F257 HydrophobicContact CB-CZ 4.03Å; L202-F257 HydrophobicContact CB-CZ 4.27Å; L202-F257 HydrophobicContact CD1-CE2 3.87Å; L202-F257 HydrophobicContact CD1-CZ 3.89Å; L202-F257 HydrophobicContact CG-CZ 4.47Å; D249-F257 HydrophobicContact CB-CD1 4.06Å; D249-F257 HydrophobicContact CB-CE1 4.26Å; L252-F257 HydrophobicContact CB-CB 4.47Å; L252-F257 HydrophobicContact CD1-CB 3.94Å; L252-F257 HydrophobicContact CD1-CD1 4.26Å; L252-F257 HydrophobicContact CD1-CD2 3.73Å; L252-F257 HydrophobicContact CD1-CE2 4.31Å; L252-F257 HydrophobicContact CD1-CG 3.7Å; F257-C259 HydrophobicContact CE1-CB 3.88Å; F257-C259 HydrophobicContact CZ-CB 4.07Å
258	L	98.6	Very high	96.9	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	23%	0.225	C	C	.	.			trans	-106.1	126.4	-179.8	-56.1	-175.3	0	0	0	110.6	I192 L193 V194 T263 I270	I192-L258 HydrophobicContact CG2-CD1 3.56Å; I192-L258 HydrophobicContact CG2-CG 3.96Å; L193-L258 PolarHBondContact O-N 2.83Å; V194-L258 HydrophobicContact CG2-CB 4.15Å; L258-T263 HydrophobicContact CD1-CG2 4.17Å; L258-T263 HydrophobicContact CD2-CG2 4.11Å; L258-I270 HydrophobicContact CD1-CG2 4.28Å
259	C	97.8	Very high	96.9	Very high	48 Å²	48	43.9 Å²	43.9	32%	0.324	24%	0.239	S	C	.	.	S	Bend	trans	-145.4	95.4	177.1	178.3	0	0	0	0	110	F257 S261	F257-C259 HydrophobicContact CE1-CB 3.88Å; F257-C259 HydrophobicContact CZ-CB 4.07Å; C259-S261 PolarHBondContact N-OG 3.08Å; C259-S261 PolarHBondContact O-N 3.47Å
260	D	97.9	Very high	97	Very high	47 Å²	47	41.7 Å²	41.7	25%	0.251	23%	0.227	S	C	.	.	S	Bend	trans	58.1	37.4	-169.4	-64.6	-24.6	0	0	0	111.9	Y271 G272 T273 W275 R295	D260-Y271 VanDerWaalsContact CA-OH 3.3Å; D260-Y271 WeakPolarHBondContact CA-OH 3.39Å; D260-G272 PolarHBondContact N-O 3.43Å; D260-T273 WeakPolarHBondContact OD1-CB 3.35Å; D260-T273 PolarHBondContact OD1-OG1 3.31Å; D260-W275 PolarHBondContact OD1-NE1 3.44Å; D260-W275 PolarHBondContact OD2-NE1 2.99Å; D260-R295 IonicContact OD2-NH1 3.35Å; D260-R295 PolarHBondContact OD2-NH1 3.24Å
261	S	98.1	Very high	97.1	Very high	43 Å²	43	37.9 Å²	37.9	30%	0.301	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.2	-177	59.2	0	0	0	0	111.7	C259 G272	C259-S261 PolarHBondContact N-OG 3.08Å; C259-S261 PolarHBondContact O-N 3.47Å; S261-G272 PolarHBondContact N-O 2.83Å; S261-G272 PolarHBondContact O-N 3.33Å
262	D	97.6	Very high	97.2	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	162.4	171.5	55	-55.9	0	0	0	113.6	R269 I270 Y271 I303	D262-R269 IonicContact OD1-NH2 3.22Å; D262-R269 IonicContact OD2-CZ 2.74Å; D262-R269 VanDerWaalsContact OD2-CZ 3.22Å; D262-R269 IonicContact OD2-NE 3.73Å; D262-R269 PolarHBondContact OD2-NE 3.16Å; D262-R269 IonicContact OD2-NH2 2.71Å; D262-R269 PolarHBondContact OD2-NH2 3.39Å; D262-I270 CarbonylContact C-O 3.49Å; D262-I270 WeakPolarHBondContact CA-O 3.5Å; D262-I270 VanDerWaalsContact CB-O 3.28Å; D262-I270 WeakPolarHBondContact CB-O 3.48Å; D262-Y271 HydrophobicContact CB-CD2 3.9Å; D262-Y271 HydrophobicContact CB-CG 4.46Å; D262-I303 HydrophobicContact CB-CD1 4.26Å
263	T	97.6	Very high	97.2	Very high	22 Å²	22	36.7 Å²	36.7	14%	0.135	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	163.1	168.9	-169.5	0	0	0	0	109.5	I192 M256 L258 I270	I192-T263 HydrophobicContact CD1-CG2 3.9Å; I192-T263 HydrophobicContact CG1-CG2 4.38Å; M256-T263 HydrophobicContact CE-CG2 4.21Å; M256-T263 HydrophobicContact SD-CG2 4.12Å; M256-T263 PolarHBondContact SD-OG1 3.09Å; L258-T263 HydrophobicContact CD1-CG2 4.17Å; L258-T263 HydrophobicContact CD2-CG2 4.11Å; T263-I270 HydrophobicContact CG2-CB 4.28Å; T263-I270 PolarHBondContact N-O 3.04Å; T263-I270 PolarHBondContact O-N 3.15Å
264	E	96	Very high	97.2	Very high	114 Å²	114	32 Å²	32	53%	0.533	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.3	175.6	-169.7	-174.4	129.4	0	0	109.8	G267 I268	E264-G267 WeakPolarHBondContact OE1-CA 3.38Å; E264-I268 WeakPolarHBondContact CA-O 3.41Å
265	V	93.8	Very high	97.1	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.5	176.6	178.1	0	0	0	0	108.6	V160 H190 I192 M256 G267 I268	V160-V265 HydrophobicContact CG2-CG1 3.72Å; H190-V265 HydrophobicContact CB-CG1 4.17Å; H190-V265 HydrophobicContact CB-CG2 4.35Å; H190-V265 WeakPolarHBondContact CD2-CG1 3.39Å; I192-V265 HydrophobicContact CD1-CG2 4.24Å; M256-V265 HydrophobicContact CE-CG2 3.57Å; V265-G267 PolarHBondContact O-N 2.77Å; V265-I268 PolarHBondContact N-O 3.38Å; V265-I268 WeakPolarHBondContact O-CA 3.21Å; V265-I268 WeakPolarHBondContact O-CB 3.44Å; V265-I268 WeakPolarHBondContact O-CG1 3.2Å; V265-I268 PolarHBondContact O-N 3.29Å
266	N	90.4	Very high	97	Very high	29 Å²	29	28.9 Å²	28.9	16%	0.155	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	31.8	-176.7	-55.5	-24.4	0	0	0	113.5	C138 I268 L385 K390	C138-N266 PolarHBondContact SG-ND2 2.78Å; C138-N266 VanDerWaalsContact SG-ND2 3.37Å; N266-I268 PolarHBondContact O-N 2.98Å; N266-L385 HydrophobicContact CB-CD2 4.27Å; N266-K390 PolarHBondContact O-N 2.89Å
267	G	92.3	Very high	96.6	Very high	18 Å²	18	26.9 Å²	26.9	19%	0.186	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-5.7	-173.4	0	0	0	0	0	114.8	E264 V265 Y389	E264-G267 WeakPolarHBondContact OE1-CA 3.38Å; V265-G267 PolarHBondContact O-N 2.77Å; G267-Y389 WeakPolarHBondContact O-CD1 3.23Å
268	I	96.3	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.4	-177.9	-53.9	169.7	0	0	0	108.4	C138 F140 E264 V265 N266 I270 D304 I305 F383 L385 Y389	C138-I268 HydrophobicContact CB-CD1 4.06Å; F140-I268 HydrophobicContact CE2-CD1 3.65Å; F140-I268 HydrophobicContact CZ-CD1 3.7Å; F140-I268 HydrophobicContact CZ-CG2 4.33Å; E264-I268 WeakPolarHBondContact CA-O 3.41Å; V265-I268 PolarHBondContact N-O 3.38Å; V265-I268 WeakPolarHBondContact O-CA 3.21Å; V265-I268 WeakPolarHBondContact O-CB 3.44Å; V265-I268 WeakPolarHBondContact O-CG1 3.2Å; V265-I268 PolarHBondContact O-N 3.29Å; N266-I268 PolarHBondContact O-N 2.98Å; I268-I270 HydrophobicContact CG2-CG1 4.16Å; I268-D304 HydrophobicContact CG2-CB 3.63Å; I268-I305 HydrophobicContact CG2-CD1 3.8Å; I268-I305 HydrophobicContact CG2-CG1 4.01Å; I268-F383 HydrophobicContact CD1-CB 4.13Å; I268-F383 HydrophobicContact CD1-CD1 3.56Å; I268-F383 HydrophobicContact CD1-CD2 4.31Å; I268-F383 HydrophobicContact CD1-CE1 3.98Å; I268-F383 HydrophobicContact CD1-CG 3.74Å; I268-F383 HydrophobicContact CG1-CD1 4Å; I268-F383 HydrophobicContact CG1-CE1 3.88Å; I268-F383 HydrophobicContact CG1-CG 4.48Å; I268-F383 HydrophobicContact CG1-CZ 4.25Å; I268-F383 HydrophobicContact CG2-CD2 4.43Å; I268-F383 HydrophobicContact CG2-CE2 4.07Å; I268-F383 HydrophobicContact CG2-CZ 4.14Å; I268-L385 HydrophobicContact CD1-CD2 3.91Å; I268-L385 HydrophobicContact CG1-CD2 4.21Å; I268-Y389 HydrophobicContact CG1-CD1 3.8Å; I268-Y389 HydrophobicContact CG1-CE1 4.03Å
269	R	97.4	Very high	95.3	Very high	77 Å²	77	27.5 Å²	27.5	29%	0.291	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.4	-178.6	-162.5	177.1	175.6	-157.6	-0.6	111	D262 S301 I303 D304 I305	D262-R269 IonicContact OD1-NH2 3.22Å; D262-R269 IonicContact OD2-CZ 2.74Å; D262-R269 VanDerWaalsContact OD2-CZ 3.22Å; D262-R269 IonicContact OD2-NE 3.73Å; D262-R269 PolarHBondContact OD2-NE 3.16Å; D262-R269 IonicContact OD2-NH2 2.71Å; D262-R269 PolarHBondContact OD2-NH2 3.39Å; R269-S301 PolarHBondContact NH1-O 3.02Å; R269-I303 HydrophobicContact CB-CD1 4.39Å; R269-I303 HydrophobicContact CG-CD1 3.61Å; R269-D304 PolarHBondContact N-OD2 2.78Å; R269-D304 PolarHBondContact O-N 2.88Å; R269-I305 PolarHBondContact O-N 2.81Å; R269-I305 VanDerWaalsContact O-N 3.13Å
270	I	98.7	Very high	94.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.7	-171.4	-50.4	176.3	0	0	0	108.6	F140 I192 L258 D262 T263 I268 I305 V307	F140-I270 HydrophobicContact CE1-CD1 3.79Å; F140-I270 HydrophobicContact CZ-CD1 4.22Å; I192-I270 HydrophobicContact CD1-CB 4.35Å; I192-I270 HydrophobicContact CD1-CD1 3.33Å; I192-I270 HydrophobicContact CD1-CG1 4.39Å; I192-I270 HydrophobicContact CD1-CG2 4.2Å; I192-I270 HydrophobicContact CG2-CG2 4.5Å; L258-I270 HydrophobicContact CD1-CG2 4.28Å; D262-I270 CarbonylContact C-O 3.49Å; D262-I270 WeakPolarHBondContact CA-O 3.5Å; D262-I270 VanDerWaalsContact CB-O 3.28Å; D262-I270 WeakPolarHBondContact CB-O 3.48Å; T263-I270 HydrophobicContact CG2-CB 4.28Å; T263-I270 PolarHBondContact N-O 3.04Å; T263-I270 PolarHBondContact O-N 3.15Å; I268-I270 HydrophobicContact CG2-CG1 4.16Å; I270-I305 CarbonylContact C-O 3.56Å; I270-I305 VanDerWaalsContact CA-O 3.29Å; I270-I305 WeakPolarHBondContact CA-O 3.41Å; I270-I305 HydrophobicContact CB-CB 4.45Å; I270-I305 HydrophobicContact CD1-CD1 4.31Å; I270-I305 HydrophobicContact CG1-CB 4.11Å; I270-I305 HydrophobicContact CG1-CD1 4.27Å; I270-I305 HydrophobicContact CG2-CB 4.13Å; I270-I305 HydrophobicContact CG2-CG2 4.17Å; I270-V307 HydrophobicContact CG2-CG2 3.91Å
271	Y	98.8	Very high	94.1	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.2	177.2	-175.9	-87	0	0	0	110.8	D260 D262 T273 I299 P300 I305 L306 V307	D260-Y271 VanDerWaalsContact CA-OH 3.3Å; D260-Y271 WeakPolarHBondContact CA-OH 3.39Å; D262-Y271 HydrophobicContact CB-CD2 3.9Å; D262-Y271 HydrophobicContact CB-CG 4.46Å; Y271-T273 HydrophobicContact CD1-CG2 4.37Å; Y271-T273 HydrophobicContact CE1-CG2 3.85Å; Y271-I299 HydrophobicContact CD1-CG1 4.35Å; Y271-I299 HydrophobicContact CD1-CG2 3.95Å; Y271-I299 HydrophobicContact CE1-CB 4.27Å; Y271-I299 HydrophobicContact CE1-CG1 3.87Å; Y271-I299 HydrophobicContact CE1-CG2 4.21Å; Y271-I299 HydrophobicContact CG-CG2 4.43Å; Y271-P300 HydrophobicContact CD2-CG 3.78Å; Y271-P300 VanDerWaalsContact CE2-CD 3.42Å; Y271-P300 HydrophobicContact CE2-CG 4.14Å; Y271-P300 HydrophobicContact CG-CG 4.44Å; Y271-I305 PolarHBondContact N-O 2.65Å; Y271-L306 HydrophobicContact CD1-CD1 3.84Å; Y271-V307 PolarHBondContact O-N 2.86Å
272	G	98.8	Very high	93.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.7	-179	0	0	0	0	0	113	D260 S261 V307	D260-G272 PolarHBondContact N-O 3.43Å; S261-G272 PolarHBondContact N-O 2.83Å; S261-G272 PolarHBondContact O-N 3.33Å; G272-V307 WeakPolarHBondContact CA-O 3.41Å
273	T	98.6	Very high	93.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	134.7	175.5	-179.6	0	0	0	0	112.9	V194 D260 Y271 W296 V307 T308	V194-T273 WeakPolarHBondContact CG1-O 3.26Å; D260-T273 WeakPolarHBondContact OD1-CB 3.35Å; D260-T273 PolarHBondContact OD1-OG1 3.31Å; Y271-T273 HydrophobicContact CD1-CG2 4.37Å; Y271-T273 HydrophobicContact CE1-CG2 3.85Å; T273-W296 HydrophobicContact CG2-CE3 4.44Å; T273-W296 HydrophobicContact CG2-CZ3 3.77Å; T273-V307 PolarHBondContact N-O 2.81Å; T273-T308 HydrophobicContact CG2-CG2 3.83Å; T273-T308 WeakPolarHBondContact O-CA 3.18Å
274	P	98	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.			trans	-94.2	-0.9	-168.8	37.6	-39.4	0	0	0	114.8	V194 A195 F284	V194-P274 HydrophobicContact CG1-CB 4.11Å; A195-P274 HydrophobicContact CB-CB 3.95Å; A195-P274 WeakPolarHBondContact O-CA 3.42Å; A195-P274 VanDerWaalsContact O-CB 3.22Å; A195-P274 WeakPolarHBondContact O-CB 3.37Å; P274-F284 HydrophobicContact CB-CB 4.19Å; P274-F284 HydrophobicContact CB-CD1 3.88Å; P274-F284 HydrophobicContact CB-CD2 3.71Å; P274-F284 HydrophobicContact CB-CE1 4.1Å; P274-F284 HydrophobicContact CB-CE2 3.98Å; P274-F284 HydrophobicContact CB-CG 3.65Å; P274-F284 HydrophobicContact CB-CZ 4.14Å; P274-F284 HydrophobicContact CG-CB 4.23Å; P274-F284 HydrophobicContact CG-CD1 3.26Å; P274-F284 HydrophobicContact CG-CD2 4.06Å; P274-F284 HydrophobicContact CG-CE1 3.42Å; P274-F284 VanDerWaalsContact CG-CE1 3.42Å; P274-F284 HydrophobicContact CG-CE2 4.22Å; P274-F284 HydrophobicContact CG-CG 3.59Å; P274-F284 HydrophobicContact CG-CZ 3.9Å; P274-F284 VanDerWaalsContact O-CB 3.28Å; P274-F284 WeakPolarHBondContact O-CB 3.48Å
275	W	97.6	Very high	93.5	Very high	21 Å²	21	24 Å²	24	8%	0.08	12%	0.118	C	C	.	.			trans	-62.4	147.8	-170.3	-57.8	107.8	0	0	0	113.9	D260 F284 I286 R295 W296	D260-W275 PolarHBondContact OD1-NE1 3.44Å; D260-W275 PolarHBondContact OD2-NE1 2.99Å; W275-F284 WeakPolarHBondContact CA-O 3.22Å; W275-F284 HydrophobicContact CE3-CB 4.01Å; W275-F284 HydrophobicContact CH2-CD1 4.41Å; W275-F284 HydrophobicContact CZ3-CB 4.39Å; W275-F284 HydrophobicContact CZ3-CD1 4.33Å; W275-I286 HydrophobicContact CB-CD1 3.51Å; W275-I286 HydrophobicContact CB-CG1 4Å; W275-I286 HydrophobicContact CD2-CG2 4.24Å; W275-I286 HydrophobicContact CE3-CG2 3.59Å; W275-I286 HydrophobicContact CG-CD1 4.19Å; W275-I286 HydrophobicContact CZ3-CG2 4.16Å; W275-R295 HydrophobicContact CD2-CG 4.28Å; W275-R295 HydrophobicContact CG-CB 4.39Å; W275-R295 HydrophobicContact CG-CG 4.21Å; W275-W296 HydrophobicContact CB-CH2 3.59Å; W275-W296 HydrophobicContact CB-CZ2 4.24Å; W275-W296 HydrophobicContact CB-CZ3 3.95Å; W275-W296 VanDerWaalsContact O-CH2 3.32Å; W275-W296 WeakPolarHBondContact O-CH2 3.2Å
276	Q	95.2	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-153	142.9	179.6	60.2	80.6	19.3	0	0	112.9	D197 S279 A283 F284 N285 I286 I310	D197-Q276 HydrophobicContact CB-CG 4.01Å; Q276-S279 PolarHBondContact NE2-O 3.18Å; Q276-S279 VanDerWaalsContact NE2-O 3.12Å; Q276-A283 PolarHBondContact NE2-O 3.32Å; Q276-F284 PolarHBondContact N-O 3.32Å; Q276-N285 CarbonylContact O-C 3.49Å; Q276-N285 VanDerWaalsContact O-CA 3.23Å; Q276-N285 WeakPolarHBondContact O-CA 3.44Å; Q276-I286 WeakPolarHBondContact O-CG1 3.02Å; Q276-I286 PolarHBondContact O-N 3.03Å; Q276-I310 HydrophobicContact CB-CD1 4.47Å; Q276-I310 HydrophobicContact CB-CG2 3.45Å; Q276-I310 VanDerWaalsContact CB-CG2 3.45Å
277	P	90.5	Very high	93	Very high	14 Å²	14	25.7 Å²	25.7	9%	0.091	13%	0.129	C	C	.	.	S	Bend	trans	-98.4	-7.6	-176.5	36	-34.6	0	0	0	115	I286 Q292 I310 C327	P277-I286 WeakPolarHBondContact CB-O 3.34Å; P277-Q292 HydrophobicContact CB-CG 4.3Å; P277-I310 VanDerWaalsContact CD-CD1 3.49Å; P277-I310 HydrophobicContact CG-CD1 4.42Å; P277-C327 HydrophobicContact CG-CB 4.33Å
278	F	85.6	Confident	92.7	Very high	52 Å²	52	28.4 Å²	28.4	23%	0.228	14%	0.139	C	C	.	.	S	Bend	trans	-91.2	-37.6	-164.9	-50.2	-58.7	0	0	0	114	P108 K280 I310 S325 C327	P108-F278 HydrophobicContact CG-CD1 4.41Å; P108-F278 HydrophobicContact CG-CE1 3.58Å; P108-F278 HydrophobicContact CG-CZ 4.22Å; F278-K280 PolarHBondContact O-N 3.16Å; F278-I310 HydrophobicContact CD2-CG2 4.3Å; F278-I310 HydrophobicContact CE2-CB 4.3Å; F278-I310 HydrophobicContact CE2-CD1 3.96Å; F278-I310 HydrophobicContact CE2-CG2 4.28Å; F278-S325 WeakPolarHBondContact CE2-O 3.48Å; F278-S325 WeakPolarHBondContact CZ-O 3.41Å; F278-C327 HydrophobicContact CZ-CB 4.09Å
279	S	84.6	Confident	92.1	Very high	12 Å²	12	28.8 Å²	28.8	8%	0.084	14%	0.142	C	C	.	.			trans	-98.6	81.5	-175.2	-72.1	0	0	0	0	111.3	D197 Q276 T281 M282 N285	D197-S279 WeakPolarHBondContact OD2-CB 3.46Å; D197-S279 PolarHBondContact OD2-OG 3.28Å; Q276-S279 PolarHBondContact NE2-O 3.18Å; Q276-S279 VanDerWaalsContact NE2-O 3.12Å; S279-T281 PolarHBondContact O-N 2.82Å; S279-M282 PolarHBondContact O-N 3.19Å; S279-M282 VanDerWaalsContact O-N 3.08Å; S279-N285 VanDerWaalsContact O-CB 3.25Å; S279-N285 WeakPolarHBondContact O-CB 3.39Å
280	K	83.2	Confident	91.5	Very high	146 Å²	146	28 Å²	28	64%	0.635	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.4	-172.5	-49.9	-158	173.5	-172.1	0	116.2	F278 N285 T287	F278-K280 PolarHBondContact O-N 3.16Å; K280-N285 PolarHBondContact O-ND2 2.79Å; K280-N285 PolarHBondContact O-OD1 3.34Å; K280-T287 HydrophobicContact CB-CG2 3.84Å; K280-T287 HydrophobicContact CD-CG2 3.92Å; K280-T287 HydrophobicContact CG-CG2 3.53Å
281	T	86.2	Confident	91	Very high	49 Å²	49	33.7 Å²	33.7	30%	0.301	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	4.8	-176.4	58.1	0	0	0	0	112.9	W206 S279	W206-T281 PolarHBondContact NE1-O 3.16Å; S279-T281 PolarHBondContact O-N 2.82Å
282	M	92.5	Very high	90.6	Very high	28 Å²	28	33.4 Å²	33.4	14%	0.138	17%	0.166	C	C	.	.	S	Bend	trans	-110.2	-178.8	-172.8	-58.4	-59.1	-71.3	0	0	111.3	D197 L200 S279 N285	D197-M282 HydrophobicContact CB-CB 4Å; D197-M282 WeakPolarHBondContact O-CB 3.28Å; L200-M282 HydrophobicContact CD1-CE 4.46Å; L200-M282 HydrophobicContact CD2-CB 4.42Å; L200-M282 HydrophobicContact CD2-CE 3.94Å; L200-M282 HydrophobicContact CD2-SD 4.36Å; L200-M282 HydrophobicContact CG-CE 4.43Å; S279-M282 PolarHBondContact O-N 3.19Å; S279-M282 VanDerWaalsContact O-N 3.08Å; M282-N285 PolarHBondContact O-ND2 3.31Å
283	A	95.4	Very high	90.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	151.2	-179.7	0	0	0	0	0	111.4	D197 L200 D203 Q276 N285	D197-A283 WeakPolarHBondContact O-CB 3.43Å; D197-A283 PolarHBondContact O-N 3.25Å; D197-A283 VanDerWaalsContact O-N 3.15Å; L200-A283 HydrophobicContact CD2-CB 4.1Å; D203-A283 HydrophobicContact CB-CB 3.91Å; Q276-A283 PolarHBondContact NE2-O 3.32Å; A283-N285 PolarHBondContact O-N 2.86Å
284	F	96	Very high	89.8	Confident	5 Å²	5	38.2 Å²	38.2	2%	0.022	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	32	171.3	-52.3	-76.3	0	0	0	113.8	A195 L202 D203 P274 W275 Q276	A195-F284 HydrophobicContact CB-CD2 4.2Å; A195-F284 HydrophobicContact CB-CE2 3.43Å; A195-F284 VanDerWaalsContact CB-CE2 3.43Å; A195-F284 HydrophobicContact CB-CZ 3.93Å; L202-F284 HydrophobicContact CB-CE2 4.27Å; L202-F284 HydrophobicContact CB-CZ 4.02Å; D203-F284 HydrophobicContact CB-CD1 3.98Å; D203-F284 HydrophobicContact CB-CD2 4.11Å; D203-F284 HydrophobicContact CB-CE1 3.77Å; D203-F284 HydrophobicContact CB-CE2 3.87Å; D203-F284 HydrophobicContact CB-CG 4.17Å; D203-F284 HydrophobicContact CB-CZ 3.72Å; D203-F284 WeakPolarHBondContact OD2-CA 3.37Å; D203-F284 PolarHBondContact OD2-N 2.99Å; P274-F284 HydrophobicContact CB-CB 4.19Å; P274-F284 HydrophobicContact CB-CD1 3.88Å; P274-F284 HydrophobicContact CB-CD2 3.71Å; P274-F284 HydrophobicContact CB-CE1 4.1Å; P274-F284 HydrophobicContact CB-CE2 3.98Å; P274-F284 HydrophobicContact CB-CG 3.65Å; P274-F284 HydrophobicContact CB-CZ 4.14Å; P274-F284 HydrophobicContact CG-CB 4.23Å; P274-F284 HydrophobicContact CG-CD1 3.26Å; P274-F284 HydrophobicContact CG-CD2 4.06Å; P274-F284 HydrophobicContact CG-CE1 3.42Å; P274-F284 VanDerWaalsContact CG-CE1 3.42Å; P274-F284 HydrophobicContact CG-CE2 4.22Å; P274-F284 HydrophobicContact CG-CG 3.59Å; P274-F284 HydrophobicContact CG-CZ 3.9Å; P274-F284 VanDerWaalsContact O-CB 3.28Å; P274-F284 WeakPolarHBondContact O-CB 3.48Å; W275-F284 WeakPolarHBondContact CA-O 3.22Å; W275-F284 HydrophobicContact CE3-CB 4.01Å; W275-F284 HydrophobicContact CH2-CD1 4.41Å; W275-F284 HydrophobicContact CZ3-CB 4.39Å; W275-F284 HydrophobicContact CZ3-CD1 4.33Å; Q276-F284 PolarHBondContact N-O 3.32Å
285	N	93.5	Very high	89.6	Confident	39 Å²	39	41.5 Å²	41.5	21%	0.209	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-78.6	129.9	-176.9	77	84.8	0	0	0	112.2	Q276 S279 K280 M282 A283	Q276-N285 CarbonylContact O-C 3.49Å; Q276-N285 VanDerWaalsContact O-CA 3.23Å; Q276-N285 WeakPolarHBondContact O-CA 3.44Å; S279-N285 VanDerWaalsContact O-CB 3.25Å; S279-N285 WeakPolarHBondContact O-CB 3.39Å; K280-N285 PolarHBondContact O-ND2 2.79Å; K280-N285 PolarHBondContact O-OD1 3.34Å; M282-N285 PolarHBondContact O-ND2 3.31Å; A283-N285 PolarHBondContact O-N 2.86Å
286	I	91.1	Very high	89.5	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.046	20%	0.197	C	C	.	.			trans	-129.8	75.6	175.9	47.2	168.7	0	0	0	110.5	W275 Q276 P277 D288 Q292 R295 W296	W275-I286 HydrophobicContact CB-CD1 3.51Å; W275-I286 HydrophobicContact CB-CG1 4Å; W275-I286 HydrophobicContact CD2-CG2 4.24Å; W275-I286 HydrophobicContact CE3-CG2 3.59Å; W275-I286 HydrophobicContact CG-CD1 4.19Å; W275-I286 HydrophobicContact CZ3-CG2 4.16Å; Q276-I286 WeakPolarHBondContact O-CG1 3.02Å; Q276-I286 PolarHBondContact O-N 3.03Å; P277-I286 WeakPolarHBondContact CB-O 3.34Å; I286-D288 PolarHBondContact O-N 3.06Å; I286-Q292 HydrophobicContact CB-CG 4.31Å; I286-Q292 HydrophobicContact CD1-CB 4.27Å; I286-Q292 HydrophobicContact CD1-CG 3.48Å; I286-Q292 VanDerWaalsContact CD1-CG 3.48Å; I286-Q292 HydrophobicContact CG1-CG 3.86Å; I286-Q292 PolarHBondContact O-NE2 3.38Å; I286-R295 HydrophobicContact CD1-CB 4.19Å; I286-R295 HydrophobicContact CD1-CG 4.22Å; I286-R295 HydrophobicContact CG2-CG 4.33Å; I286-W296 HydrophobicContact CD1-CZ2 4Å
287	T	82.7	Confident	89.4	Confident	59 Å²	59	43.3 Å²	43.3	36%	0.362	22%	0.217	S	C	.	.			trans	-75	-7.8	-174.7	63	0	0	0	0	115.1	M106 K280	M106-T287 WeakPolarHBondContact CE-O 3.26Å; K280-T287 HydrophobicContact CB-CG2 3.84Å; K280-T287 HydrophobicContact CD-CG2 3.92Å; K280-T287 HydrophobicContact CG-CG2 3.53Å
288	D	85.6	Confident	89.7	Confident	74 Å²	74	48.7 Å²	48.7	40%	0.396	24%	0.239	S	C	.	.	S	Bend	trans	-96.4	134.2	179.1	179.4	-92.1	0	0	0	109.8	I286 Q290 K291 Q292	I286-D288 PolarHBondContact O-N 3.06Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.25Å; D288-Q290 VanDerWaalsContact OD1-CB 3.28Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.4Å; D288-Q290 PolarHBondContact OD1-N 2.88Å; D288-K291 HydrophobicContact CB-CB 4.1Å; D288-K291 HydrophobicContact CB-CD 4.05Å; D288-K291 HydrophobicContact CB-CG 4.03Å; D288-K291 PolarHBondContact O-N 3.5Å; D288-K291 PolarHBondContact OD1-N 2.86Å; D288-Q292 PolarHBondContact O-N 2.8Å
289	C	83.7	Confident	90.2	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.054	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-43.1	-176.8	-178.8	0	0	0	0	111.7	L85 V102 M106 K291 Q292 V293 E329	L85-C289 VanDerWaalsContact CD2-SG 3.57Å; V102-C289 HydrophobicContact CG1-CB 3.56Å; M106-C289 HydrophobicContact CE-CB 4.43Å; M106-C289 HydrophobicContact CG-CB 3.94Å; M106-C289 HydrophobicContact SD-CB 3.51Å; M106-C289 VanDerWaalsContact SD-CB 3.51Å; C289-K291 VanDerWaalsContact C-N 3.33Å; C289-K291 PolarHBondContact O-N 3.48Å; C289-Q292 WeakPolarHBondContact O-CA 3.37Å; C289-Q292 VanDerWaalsContact O-CB 3.29Å; C289-Q292 WeakPolarHBondContact O-CB 3.44Å; C289-Q292 PolarHBondContact O-N 3.21Å; C289-V293 PolarHBondContact O-N 2.88Å; C289-E329 PolarHBondContact SG-OE1 2.97Å; C289-E329 VanDerWaalsContact SG-OE1 3.38Å
290	Q	84.3	Confident	90.8	Very high	61 Å²	61	47.2 Å²	47.2	29%	0.285	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-41.6	179.8	-165.6	-161.2	-50.3	0	0	110.9	D288 Q292 V293 E294	D288-Q290 WeakPolarHBondContact OD1-CA 3.25Å; D288-Q290 VanDerWaalsContact OD1-CB 3.28Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.4Å; D288-Q290 PolarHBondContact OD1-N 2.88Å; Q290-Q292 VanDerWaalsContact C-N 3.27Å; Q290-Q292 PolarHBondContact O-N 2.96Å; Q290-V293 PolarHBondContact O-N 3.22Å; Q290-V293 VanDerWaalsContact O-N 3.15Å; Q290-E294 PolarHBondContact NE2-OE1 3.02Å; Q290-E294 WeakPolarHBondContact O-CG 3.31Å; Q290-E294 PolarHBondContact O-N 3.11Å
291	K	89.4	Confident	91.3	Very high	119 Å²	119	44.2 Å²	44.2	52%	0.517	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-33.3	172.8	-67.6	-175.4	-177.1	178.3	0	112.7	D288 C289 R295	D288-K291 HydrophobicContact CB-CB 4.1Å; D288-K291 HydrophobicContact CB-CD 4.05Å; D288-K291 HydrophobicContact CB-CG 4.03Å; D288-K291 PolarHBondContact O-N 3.5Å; D288-K291 PolarHBondContact OD1-N 2.86Å; C289-K291 VanDerWaalsContact C-N 3.33Å; C289-K291 PolarHBondContact O-N 3.48Å; K291-R295 WeakPolarHBondContact O-CB 3.4Å; K291-R295 VanDerWaalsContact O-CG 3.23Å; K291-R295 WeakPolarHBondContact O-CG 3.38Å; K291-R295 PolarHBondContact O-N 3.2Å
292	Q	89.7	Confident	91.6	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-48.5	170.8	-80.5	171	75.5	0	0	111.6	M106 P277 I286 D288 C289 Q290 E294 R295 W296 C327 E329	M106-Q292 PolarHBondContact SD-NE2 3.13Å; P277-Q292 HydrophobicContact CB-CG 4.3Å; I286-Q292 HydrophobicContact CB-CG 4.31Å; I286-Q292 HydrophobicContact CD1-CB 4.27Å; I286-Q292 HydrophobicContact CD1-CG 3.48Å; I286-Q292 VanDerWaalsContact CD1-CG 3.48Å; I286-Q292 HydrophobicContact CG1-CG 3.86Å; I286-Q292 PolarHBondContact O-NE2 3.38Å; D288-Q292 PolarHBondContact O-N 2.8Å; C289-Q292 WeakPolarHBondContact O-CA 3.37Å; C289-Q292 VanDerWaalsContact O-CB 3.29Å; C289-Q292 WeakPolarHBondContact O-CB 3.44Å; C289-Q292 PolarHBondContact O-N 3.21Å; Q290-Q292 VanDerWaalsContact C-N 3.27Å; Q290-Q292 PolarHBondContact O-N 2.96Å; Q292-E294 VanDerWaalsContact C-N 3.31Å; Q292-E294 PolarHBondContact O-N 3.06Å; Q292-R295 PolarHBondContact O-N 2.92Å; Q292-W296 WeakPolarHBondContact O-CB 3.05Å; Q292-W296 PolarHBondContact O-N 2.93Å; Q292-C327 PolarHBondContact OE1-SG 3.09Å; Q292-E329 HydrophobicContact CB-CB 4.24Å; Q292-E329 HydrophobicContact CB-CG 4.22Å
293	V	89.4	Confident	91.8	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.085	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-47.6	176.4	179.8	0	0	0	0	111.1	L85 C289 Q290 R295 W296 S297 E329	L85-V293 HydrophobicContact CD2-CG2 3.45Å; L85-V293 VanDerWaalsContact CD2-CG2 3.45Å; L85-V293 HydrophobicContact CG-CG2 4.25Å; C289-V293 PolarHBondContact O-N 2.88Å; Q290-V293 PolarHBondContact O-N 3.22Å; Q290-V293 VanDerWaalsContact O-N 3.15Å; V293-R295 VanDerWaalsContact C-N 3.32Å; V293-R295 PolarHBondContact O-N 2.73Å; V293-W296 PolarHBondContact O-N 3.01Å; V293-S297 VanDerWaalsContact O-CB 3.23Å; V293-S297 WeakPolarHBondContact O-CB 3.37Å; V293-S297 PolarHBondContact O-N 3.34Å; V293-S297 PolarHBondContact O-OG 3.48Å; V293-S297 VanDerWaalsContact O-OG 3.11Å; V293-E329 WeakPolarHBondContact CG2-OE2 3.48Å
294	E	91.5	Very high	92	Very high	87 Å²	87	44.7 Å²	44.7	41%	0.407	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-36.2	179	-72	170.6	-167.3	0	0	113.3	Q290 Q292 S297 K298	Q290-E294 PolarHBondContact NE2-OE1 3.02Å; Q290-E294 WeakPolarHBondContact O-CG 3.31Å; Q290-E294 PolarHBondContact O-N 3.11Å; Q292-E294 VanDerWaalsContact C-N 3.31Å; Q292-E294 PolarHBondContact O-N 3.06Å; E294-S297 WeakPolarHBondContact CA-OG 3.33Å; E294-S297 PolarHBondContact O-OG 2.91Å; E294-K298 WeakPolarHBondContact O-CG 3.41Å
295	R	93.8	Very high	92.1	Very high	70 Å²	70	44.4 Å²	44.4	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-74.7	-48.6	177.1	-71.3	-61.3	-176.9	164.9	-1.7	111.2	D260 W275 I286 K291 Q292 V293 S297 K298	D260-R295 IonicContact OD2-NH1 3.35Å; D260-R295 PolarHBondContact OD2-NH1 3.24Å; W275-R295 HydrophobicContact CD2-CG 4.28Å; W275-R295 HydrophobicContact CG-CB 4.39Å; W275-R295 HydrophobicContact CG-CG 4.21Å; I286-R295 HydrophobicContact CD1-CB 4.19Å; I286-R295 HydrophobicContact CD1-CG 4.22Å; I286-R295 HydrophobicContact CG2-CG 4.33Å; K291-R295 WeakPolarHBondContact O-CB 3.4Å; K291-R295 VanDerWaalsContact O-CG 3.23Å; K291-R295 WeakPolarHBondContact O-CG 3.38Å; K291-R295 PolarHBondContact O-N 3.2Å; Q292-R295 PolarHBondContact O-N 2.92Å; V293-R295 VanDerWaalsContact C-N 3.32Å; V293-R295 PolarHBondContact O-N 2.73Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.48Å; R295-K298 WeakPolarHBondContact O-CB 3.29Å; R295-K298 PolarHBondContact O-N 2.85Å; R295-K298 VanDerWaalsContact O-N 3.08Å
296	W	94.6	Very high	92.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.9	-21.4	-178.9	-53.4	142	0	0	0	113.2	T273 W275 I286 Q292 V293 K298 I299 I310 L330 S333 R337	T273-W296 HydrophobicContact CG2-CE3 4.44Å; T273-W296 HydrophobicContact CG2-CZ3 3.77Å; W275-W296 HydrophobicContact CB-CH2 3.59Å; W275-W296 HydrophobicContact CB-CZ2 4.24Å; W275-W296 HydrophobicContact CB-CZ3 3.95Å; W275-W296 VanDerWaalsContact O-CH2 3.32Å; W275-W296 WeakPolarHBondContact O-CH2 3.2Å; I286-W296 HydrophobicContact CD1-CZ2 4Å; Q292-W296 WeakPolarHBondContact O-CB 3.05Å; Q292-W296 PolarHBondContact O-N 2.93Å; V293-W296 PolarHBondContact O-N 3.01Å; W296-K298 VanDerWaalsContact C-N 3.26Å; W296-K298 PolarHBondContact O-N 3.21Å; W296-I299 HydrophobicContact CE3-CD1 4.08Å; W296-I310 HydrophobicContact CZ2-CD1 4.21Å; W296-L330 HydrophobicContact CD2-CD1 4.14Å; W296-L330 HydrophobicContact CE3-CD1 4.16Å; W296-L330 HydrophobicContact CZ2-CB 4.4Å; W296-L330 HydrophobicContact CZ3-CD1 4.37Å; W296-S333 VanDerWaalsContact CB-OG 3.29Å; W296-S333 WeakPolarHBondContact CB-OG 3.49Å; W296-R337 PolarHBondContact O-NH2 3.49Å
297	S	93.8	Very high	92.7	Very high	59 Å²	59	42.1 Å²	42.1	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	170.8	64.3	0	0	0	0	113.4	V293 E294 R295 R337	V293-S297 VanDerWaalsContact O-CB 3.23Å; V293-S297 WeakPolarHBondContact O-CB 3.37Å; V293-S297 PolarHBondContact O-N 3.34Å; V293-S297 PolarHBondContact O-OG 3.48Å; V293-S297 VanDerWaalsContact O-OG 3.11Å; E294-S297 WeakPolarHBondContact CA-OG 3.33Å; E294-S297 PolarHBondContact O-OG 2.91Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.48Å; S297-R337 PolarHBondContact O-NH2 3.03Å
298	K	96.2	Very high	93.5	Very high	127 Å²	127	39.3 Å²	39.3	55%	0.552	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.7	178.6	-70.1	177.6	-179.4	-168.9	0	114.1	E294 R295 W296 P300	E294-K298 WeakPolarHBondContact O-CG 3.41Å; R295-K298 WeakPolarHBondContact O-CB 3.29Å; R295-K298 PolarHBondContact O-N 2.85Å; R295-K298 VanDerWaalsContact O-N 3.08Å; W296-K298 VanDerWaalsContact C-N 3.26Å; W296-K298 PolarHBondContact O-N 3.21Å; K298-P300 WeakPolarHBondContact O-CD 3.4Å; K298-P300 VanDerWaalsContact O-N 3.16Å
299	I	97.4	Very high	94.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-59.8	120.5	173.9	-54.6	170	0	0	0	107.3	Y271 W296 L306 L330 R337 V338	Y271-I299 HydrophobicContact CD1-CG1 4.35Å; Y271-I299 HydrophobicContact CD1-CG2 3.95Å; Y271-I299 HydrophobicContact CE1-CB 4.27Å; Y271-I299 HydrophobicContact CE1-CG1 3.87Å; Y271-I299 HydrophobicContact CE1-CG2 4.21Å; Y271-I299 HydrophobicContact CG-CG2 4.43Å; W296-I299 HydrophobicContact CE3-CD1 4.08Å; I299-L306 HydrophobicContact CD1-CD1 4.19Å; I299-L306 HydrophobicContact CD1-CD2 4.22Å; I299-L306 HydrophobicContact CG2-CD1 4.01Å; I299-L330 HydrophobicContact CD1-CD1 4.28Å; I299-R337 VanDerWaalsContact O-CZ 3.22Å; I299-R337 PolarHBondContact O-NH1 3.17Å; I299-R337 PolarHBondContact O-NH2 3.03Å; I299-V338 HydrophobicContact CB-CG2 3.93Å; I299-V338 HydrophobicContact CG2-CB 4.42Å; I299-V338 HydrophobicContact CG2-CG1 3.86Å; I299-V338 HydrophobicContact CG2-CG2 3.63Å
300	P	96.2	Very high	94.7	Very high	32 Å²	32	35.4 Å²	35.4	21%	0.208	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-70.4	159.3	-177.5	28.1	-33.6	0	0	0	111.4	Y271 K298 I303	Y271-P300 HydrophobicContact CD2-CG 3.78Å; Y271-P300 VanDerWaalsContact CE2-CD 3.42Å; Y271-P300 HydrophobicContact CE2-CG 4.14Å; Y271-P300 HydrophobicContact CG-CG 4.44Å; K298-P300 WeakPolarHBondContact O-CD 3.4Å; K298-P300 VanDerWaalsContact O-N 3.16Å; P300-I303 HydrophobicContact CG-CD1 3.77Å; P300-I303 HydrophobicContact CG-CG1 3.78Å; P300-I303 WeakPolarHBondContact O-CG1 3.07Å
301	S	93.3	Very high	95.4	Very high	83 Å²	83	32.5 Å²	32.5	58%	0.58	18%	0.181	S	C	*	.	S	Bend	trans	-76.1	161	167.6	51.6	0	0	0	0	111.1	R269 I303	R269-S301 PolarHBondContact NH1-O 3.02Å; S301-I303 VanDerWaalsContact C-N 3.34Å
302	G	94.1	Very high	95.8	Very high	59 Å²	59	26.9 Å²	26.9	61%	0.608	16%	0.157	S	C	*	.	S	Bend	trans	72.4	27.4	177.9	0	0	0	0	0	113.6
303	I	96.9	Very high	96.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	16%	0.155	C	C	.	.			trans	-87.2	129.9	170.1	-65.5	-56.5	0	0	0	108.4	D262 R269 P300 S301 I305 V338 P340	D262-I303 HydrophobicContact CB-CD1 4.26Å; R269-I303 HydrophobicContact CB-CD1 4.39Å; R269-I303 HydrophobicContact CG-CD1 3.61Å; P300-I303 HydrophobicContact CG-CD1 3.77Å; P300-I303 HydrophobicContact CG-CG1 3.78Å; P300-I303 WeakPolarHBondContact O-CG1 3.07Å; S301-I303 VanDerWaalsContact C-N 3.34Å; I303-I305 VanDerWaalsContact CG2-C 3.4Å; I303-I305 WeakPolarHBondContact CG2-O 3.4Å; I303-V338 HydrophobicContact CB-CG1 4.34Å; I303-P340 WeakPolarHBondContact O-CA 3.48Å; I303-P340 WeakPolarHBondContact O-CB 3.42Å
304	D	97.9	Very high	96.5	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.118	15%	0.154	C	C	.	.	S	Bend	trans	-78	-41.9	175	-64.3	-70.1	0	0	0	111.4	I268 R269 K341 F342 F383 Y389	I268-D304 HydrophobicContact CG2-CB 3.63Å; R269-D304 PolarHBondContact N-OD2 2.78Å; R269-D304 PolarHBondContact O-N 2.88Å; D304-K341 WeakPolarHBondContact O-CB 3.16Å; D304-K341 PolarHBondContact O-N 3.49Å; D304-F342 PolarHBondContact O-N 3.27Å; D304-F383 HydrophobicContact CB-CE2 4.06Å; D304-F383 HydrophobicContact CB-CZ 4.09Å; D304-Y389 PolarHBondContact OD1-OH 3.42Å
305	I	98.8	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.4	-176.8	-54.7	178.4	0	0	0	109.9	F140 I162 I268 R269 I270 Y271 I303 V307 F342 I344 F381 F383	F140-I305 HydrophobicContact CD1-CD1 4.03Å; F140-I305 HydrophobicContact CD2-CD1 4.4Å; F140-I305 HydrophobicContact CE1-CD1 3.51Å; F140-I305 HydrophobicContact CE2-CD1 3.95Å; F140-I305 HydrophobicContact CG-CD1 4.44Å; F140-I305 HydrophobicContact CZ-CD1 3.48Å; F140-I305 VanDerWaalsContact CZ-CD1 3.48Å; I162-I305 HydrophobicContact CD1-CG2 4.19Å; I268-I305 HydrophobicContact CG2-CD1 3.8Å; I268-I305 HydrophobicContact CG2-CG1 4.01Å; R269-I305 PolarHBondContact O-N 2.81Å; R269-I305 VanDerWaalsContact O-N 3.13Å; I270-I305 CarbonylContact C-O 3.56Å; I270-I305 VanDerWaalsContact CA-O 3.29Å; I270-I305 WeakPolarHBondContact CA-O 3.41Å; I270-I305 HydrophobicContact CB-CB 4.45Å; I270-I305 HydrophobicContact CD1-CD1 4.31Å; I270-I305 HydrophobicContact CG1-CB 4.11Å; I270-I305 HydrophobicContact CG1-CD1 4.27Å; I270-I305 HydrophobicContact CG2-CB 4.13Å; I270-I305 HydrophobicContact CG2-CG2 4.17Å; Y271-I305 PolarHBondContact N-O 2.65Å; I303-I305 VanDerWaalsContact CG2-C 3.4Å; I303-I305 WeakPolarHBondContact CG2-O 3.4Å; I305-V307 HydrophobicContact CG2-CG2 4.13Å; I305-F342 CarbonylContact C-O 3.57Å; I305-F342 WeakPolarHBondContact CA-O 3.47Å; I305-F342 HydrophobicContact CG1-CB 4.21Å; I305-F342 HydrophobicContact CG1-CD2 4.33Å; I305-F342 HydrophobicContact CG2-CB 4.3Å; I305-I344 HydrophobicContact CG2-CD1 3.47Å; I305-I344 VanDerWaalsContact CG2-CD1 3.47Å; I305-I344 HydrophobicContact CG2-CG1 4.18Å; I305-F381 HydrophobicContact CD1-CE2 4.43Å; I305-F381 HydrophobicContact CD1-CZ 4.01Å; I305-F383 HydrophobicContact CD1-CD2 4.38Å; I305-F383 HydrophobicContact CG1-CE2 4.47Å
306	L	98.9	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.8	169.5	177.3	62.6	0	0	0	109.6	Y271 I299 T308 L330 V334 P340 F342 H343 I344	Y271-L306 HydrophobicContact CD1-CD1 3.84Å; I299-L306 HydrophobicContact CD1-CD1 4.19Å; I299-L306 HydrophobicContact CD1-CD2 4.22Å; I299-L306 HydrophobicContact CG2-CD1 4.01Å; L306-T308 HydrophobicContact CD1-CG2 4.19Å; L306-T308 HydrophobicContact CD2-CG2 4.34Å; L306-T308 HydrophobicContact CG-CG2 4.11Å; L306-L330 HydrophobicContact CD2-CD1 4.44Å; L306-V334 HydrophobicContact CD2-CG2 3.59Å; L306-P340 HydrophobicContact CB-CB 4.2Å; L306-P340 HydrophobicContact CB-CG 3.92Å; L306-F342 PolarHBondContact N-O 3.17Å; L306-H343 CarbonylContact O-C 3.55Å; L306-H343 WeakPolarHBondContact O-CA 3.41Å; L306-H343 PolarHBondContact O-CD2 3.23Å; L306-I344 PolarHBondContact O-N 3.17Å
307	V	98.9	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.9	173.2	-170.4	0	0	0	0	109.2	I162 A164 V194 I270 Y271 G272 T273 I305 I344	I162-V307 HydrophobicContact CD1-CG2 4.27Å; I162-V307 HydrophobicContact CG2-CG1 3.81Å; I162-V307 HydrophobicContact CG2-CG2 3.81Å; A164-V307 HydrophobicContact CB-CG1 3.91Å; V194-V307 HydrophobicContact CB-CG1 4.03Å; V194-V307 HydrophobicContact CG2-CB 3.84Å; V194-V307 HydrophobicContact CG2-CG1 3.61Å; I270-V307 HydrophobicContact CG2-CG2 3.91Å; Y271-V307 PolarHBondContact O-N 2.86Å; G272-V307 WeakPolarHBondContact CA-O 3.41Å; T273-V307 PolarHBondContact N-O 2.81Å; I305-V307 HydrophobicContact CG2-CG2 4.13Å; V307-I344 WeakPolarHBondContact CA-O 3.2Å
308	T	98.8	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.8	171.3	58.2	0	0	0	0	109.1	T273 L306 I310 L330 H343 I344 F345	T273-T308 HydrophobicContact CG2-CG2 3.83Å; T273-T308 WeakPolarHBondContact O-CA 3.18Å; L306-T308 HydrophobicContact CD1-CG2 4.19Å; L306-T308 HydrophobicContact CD2-CG2 4.34Å; L306-T308 HydrophobicContact CG-CG2 4.11Å; T308-I310 PolarHBondContact OG1-O 2.88Å; T308-L330 HydrophobicContact CG2-CD1 4.26Å; T308-L330 HydrophobicContact CG2-CD2 4.25Å; T308-H343 PolarHBondContact OG1-NE2 3.01Å; T308-I344 PolarHBondContact N-O 2.99Å; T308-I344 VanDerWaalsContact O-O 3.1Å; T308-F345 WeakPolarHBondContact O-CA 3.45Å; T308-F345 WeakPolarHBondContact O-CB 3.46Å
309	H	98.2	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-71.1	-40.2	172.3	174.8	50.9	0	0	0	111.9	D145 A164 N166 D197 G346	D145-H309 IonicContact OD1-CE1 3.9Å; D145-H309 PolarHBondContact OD1-CE1 2.9Å; D145-H309 IonicContact OD2-CE1 2.82Å; A164-H309 PolarHBondContact O-ND1 2.59Å; N166-H309 PolarHBondContact ND2-CE1 3.24Å; N166-H309 PolarHBondContact ND2-NE2 3.22Å; N166-H309 VanDerWaalsContact ND2-NE2 3.11Å; D197-H309 IonicContact OD1-NE2 3.77Å; H309-G346 CarbonylContact O-C 3.51Å; H309-G346 PolarHBondContact O-N 2.83Å
310	I	97.6	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-91.5	152.2	-174.7	63.7	164.3	0	0	0	113	Q276 P277 F278 W296 T308 C327 L330 F345	Q276-I310 HydrophobicContact CB-CD1 4.47Å; Q276-I310 HydrophobicContact CB-CG2 3.45Å; Q276-I310 VanDerWaalsContact CB-CG2 3.45Å; P277-I310 VanDerWaalsContact CD-CD1 3.49Å; P277-I310 HydrophobicContact CG-CD1 4.42Å; F278-I310 HydrophobicContact CD2-CG2 4.3Å; F278-I310 HydrophobicContact CE2-CB 4.3Å; F278-I310 HydrophobicContact CE2-CD1 3.96Å; F278-I310 HydrophobicContact CE2-CG2 4.28Å; W296-I310 HydrophobicContact CZ2-CD1 4.21Å; T308-I310 PolarHBondContact OG1-O 2.88Å; I310-C327 HydrophobicContact CD1-CB 3.52Å; I310-L330 HydrophobicContact CD1-CD2 4.2Å; I310-L330 HydrophobicContact CG1-CD2 3.94Å; I310-F345 VanDerWaalsContact O-CB 3.31Å; I310-F345 WeakPolarHBondContact O-CB 3.41Å
311	P	98.3	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-71.5	148.6	170.2	27.9	-32.9	0	0	0	112	D317 G326 C327 F345 T348	P311-D317 HydrophobicContact CB-CB 3.76Å; P311-D317 HydrophobicContact CG-CB 3.68Å; P311-G326 VanDerWaalsContact O-CA 3.31Å; P311-G326 WeakPolarHBondContact O-CA 3.46Å; P311-C327 PolarHBondContact O-N 3Å; P311-F345 VanDerWaalsContact CA-CD2 3.46Å; P311-F345 HydrophobicContact CB-CD2 3.52Å; P311-F345 HydrophobicContact CB-CE2 3.45Å; P311-F345 VanDerWaalsContact CB-CE2 3.45Å; P311-F345 HydrophobicContact CB-CG 4.29Å; P311-F345 HydrophobicContact CB-CZ 4.21Å; P311-T348 HydrophobicContact CG-CG2 4.42Å
312	P	97.8	Very high	96.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-69.1	156.7	157.9	32.4	-31.1	0	0	0	109.9	G314 Y315 L330 L331 F345 F362	P312-G314 PolarHBondContact O-N 3.3Å; P312-Y315 HydrophobicContact CG-CD2 4.04Å; P312-L330 HydrophobicContact CB-CD2 4.46Å; P312-L330 HydrophobicContact CB-CG 4.29Å; P312-L331 HydrophobicContact CB-CB 3.97Å; P312-L331 HydrophobicContact CB-CD1 4.32Å; P312-F345 HydrophobicContact CG-CE1 4.09Å; P312-F345 HydrophobicContact CG-CZ 4.37Å; P312-F362 HydrophobicContact CG-CD1 3.61Å; P312-F362 HydrophobicContact CG-CE1 3.77Å
313	L	96.9	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.3	177.4	-175.4	73.5	0	0	0	112.2	P108 A111 W112 M115 Y315 C327 A328 L331	P108-L313 HydrophobicContact CB-CD1 4.03Å; P108-L313 VanDerWaalsContact O-CD1 3.31Å; P108-L313 WeakPolarHBondContact O-CD1 3.15Å; A111-L313 HydrophobicContact CB-CD2 3.64Å; W112-L313 HydrophobicContact CB-CD1 4.23Å; M115-L313 HydrophobicContact SD-CD2 3.87Å; L313-Y315 WeakPolarHBondContact O-CD2 3.43Å; L313-Y315 PolarHBondContact O-N 3.03Å; L313-C327 PolarHBondContact N-O 2.89Å; L313-C327 VanDerWaalsContact N-O 3.11Å; L313-A328 HydrophobicContact CB-CB 4.35Å; L313-A328 HydrophobicContact CD2-CB 3.9Å; L313-L331 HydrophobicContact CB-CB 4.23Å; L313-L331 HydrophobicContact CB-CD2 3.86Å; L313-L331 HydrophobicContact CD2-CD2 4.4Å; L313-L331 HydrophobicContact CG-CD2 4.5Å; L313-L331 WeakPolarHBondContact O-CD2 3.45Å
314	G	96.9	Very high	95.9	Very high	6 Å²	6	19.1 Å²	19.1	6%	0.062	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-20	172.6	0	0	0	0	0	116.2	P312 D317	P312-G314 PolarHBondContact O-N 3.3Å; G314-D317 VanDerWaalsContact N-CG 3.34Å; G314-D317 PolarHBondContact N-OD2 3.06Å
315	Y	98.1	Very high	95.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.008	10%	0.099	C	C	.	.	S	Bend	trans	-109.7	110.7	-179	-56.1	-87.1	0	0	0	110.7	V120 V121 P312 L313 D317 L331 F345 Y355 N357 F362	V120-Y315 PolarHBondContact O-OH 2.85Å; V121-Y315 HydrophobicContact CB-CE1 4.25Å; V121-Y315 HydrophobicContact CG1-CD1 3.92Å; V121-Y315 HydrophobicContact CG1-CE1 4.07Å; V121-Y315 HydrophobicContact CG2-CD1 4.33Å; V121-Y315 HydrophobicContact CG2-CE1 3.87Å; P312-Y315 HydrophobicContact CG-CD2 4.04Å; L313-Y315 WeakPolarHBondContact O-CD2 3.43Å; L313-Y315 PolarHBondContact O-N 3.03Å; Y315-D317 PolarHBondContact O-N 3.1Å; Y315-D317 VanDerWaalsContact O-N 3.1Å; Y315-L331 HydrophobicContact CD2-CD1 4.11Å; Y315-L331 HydrophobicContact CE2-CD1 3.54Å; Y315-F345 WeakPolarHBondContact O-CE2 3.44Å; Y315-F345 WeakPolarHBondContact O-CZ 3.4Å; Y315-Y355 HydrophobicContact CD1-CG 4.5Å; Y315-N357 HydrophobicContact CE1-CB 4.47Å; Y315-N357 WeakPolarHBondContact OH-CB 3.33Å; Y315-F362 HydrophobicContact CD1-CB 3.97Å; Y315-F362 HydrophobicContact CD1-CD1 4.36Å; Y315-F362 AromaticContact CD1-CD2 3.33Å; Y315-F362 HydrophobicContact CD1-CD2 3.33Å; Y315-F362 AromaticContact CD1-CE2 3.85Å; Y315-F362 HydrophobicContact CD1-CE2 3.85Å; Y315-F362 AromaticContact CD1-CG 3.63Å; Y315-F362 HydrophobicContact CD1-CG 3.63Å; Y315-F362 AromaticContact CD2-CD1 3.9Å; Y315-F362 HydrophobicContact CD2-CD1 3.9Å; Y315-F362 HydrophobicContact CD2-CD2 4.13Å; Y315-F362 AromaticContact CD2-CE1 3.89Å; Y315-F362 HydrophobicContact CD2-CE1 3.89Å; Y315-F362 HydrophobicContact CD2-CE2 4.14Å; Y315-F362 HydrophobicContact CD2-CG 4.01Å; Y315-F362 HydrophobicContact CD2-CZ 4.02Å; Y315-F362 AromaticContact CE1-CD2 3.42Å; Y315-F362 HydrophobicContact CE1-CD2 3.42Å; Y315-F362 VanDerWaalsContact CE1-CD2 3.42Å; Y315-F362 AromaticContact CE1-CE2 3.48Å; Y315-F362 HydrophobicContact CE1-CE2 3.48Å; Y315-F362 VanDerWaalsContact CE1-CE2 3.48Å; Y315-F362 HydrophobicContact CE1-CG 4.16Å; Y315-F362 HydrophobicContact CE1-CZ 4.24Å; Y315-F362 HydrophobicContact CE2-CD1 4.43Å; Y315-F362 HydrophobicContact CE2-CD2 4.21Å; Y315-F362 HydrophobicContact CE2-CE1 4.03Å; Y315-F362 AromaticContact CE2-CE2 3.81Å; Y315-F362 HydrophobicContact CE2-CE2 3.81Å; Y315-F362 AromaticContact CE2-CZ 3.7Å; Y315-F362 HydrophobicContact CE2-CZ 3.7Å; Y315-F362 HydrophobicContact CG-CB 3.89Å; Y315-F362 AromaticContact CG-CD1 3.86Å; Y315-F362 HydrophobicContact CG-CD1 3.86Å; Y315-F362 AromaticContact CG-CD2 3.69Å; Y315-F362 HydrophobicContact CG-CD2 3.69Å; Y315-F362 HydrophobicContact CG-CE1 4.27Å; Y315-F362 HydrophobicContact CG-CE2 4.15Å; Y315-F362 AromaticContact CG-CG 3.53Å; Y315-F362 HydrophobicContact CG-CG 3.53Å; Y315-F362 HydrophobicContact CG-CZ 4.41Å; Y315-F362 AromaticContact CZ-CD2 3.88Å; Y315-F362 AromaticContact CZ-CE2 3.46Å; Y315-F362 VanDerWaalsContact CZ-CE2 3.46Å; Y315-F362 AromaticContact CZ-CZ 3.82Å
316	G	97.5	Very high	95.5	Very high	4 Å²	4	18.1 Å²	18.1	4%	0.041	10%	0.099	C	C	.	.	S	Bend	trans	52.6	35.2	177.2	0	0	0	0	0	113.7	T348 G351 Y355 N364	G316-T348 PolarHBondContact O-OG1 3.35Å; G316-G351 WeakPolarHBondContact CA-O 3.07Å; G316-Y355 VanDerWaalsContact CA-CE2 3.45Å; G316-N364 PolarHBondContact O-ND2 2.88Å
317	D	97.4	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.			trans	-109.9	8	-168.9	77.2	-30.4	0	0	0	114	P311 G314 Y315 R324 S325 G326	P311-D317 HydrophobicContact CB-CB 3.76Å; P311-D317 HydrophobicContact CG-CB 3.68Å; G314-D317 VanDerWaalsContact N-CG 3.34Å; G314-D317 PolarHBondContact N-OD2 3.06Å; Y315-D317 PolarHBondContact O-N 3.1Å; Y315-D317 VanDerWaalsContact O-N 3.1Å; D317-R324 CarbonylContact O-C 3.49Å; D317-R324 WeakPolarHBondContact O-CA 3.06Å; D317-R324 IonicContact OD1-CZ 2.76Å; D317-R324 IonicContact OD1-NH1 3.75Å; D317-R324 PolarHBondContact OD1-NH1 3.1Å; D317-S325 PolarHBondContact O-N 3.1Å; D317-S325 PolarHBondContact O-OG 3.42Å; D317-G326 WeakPolarHBondContact OD2-CA 3.5Å; D317-G326 PolarHBondContact OD2-N 3.27Å
318	V	95.3	Very high	95.1	Very high	30 Å²	30	18.4 Å²	18.4	18%	0.182	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-87.6	121.3	-179	-175.2	0	0	0	0	110	R324 T348 R350 G351	V318-R324 HydrophobicContact CG2-CG 4.36Å; V318-T348 WeakPolarHBondContact O-CB 3.28Å; V318-T348 PolarHBondContact O-OG1 3.06Å; V318-R350 WeakPolarHBondContact O-CB 3.42Å; V318-G351 PolarHBondContact O-N 3.3Å
319	K	92.2	Very high	94.8	Very high	69 Å²	69	18.5 Å²	18.5	30%	0.3	10%	0.102	S	C	.	.			trans	-75	165.8	172.1	-70	171	166.5	163.5	0	111.8	N321 G322 V323 S325 T348 R350	K319-N321 WeakPolarHBondContact CB-OD1 3.29Å; K319-N321 PolarHBondContact O-N 3.26Å; K319-N321 VanDerWaalsContact O-N 3.15Å; K319-G322 WeakPolarHBondContact O-CA 3.38Å; K319-G322 PolarHBondContact O-N 3.16Å; K319-V323 VanDerWaalsContact CB-O 3.31Å; K319-V323 WeakPolarHBondContact CB-O 3.08Å; K319-V323 PolarHBondContact N-O 3.32Å; K319-S325 VanDerWaalsContact CE-OG 3.32Å; K319-S325 WeakPolarHBondContact CE-OG 3.09Å; K319-T348 HydrophobicContact CG-CG2 3.98Å; K319-R350 WeakPolarHBondContact O-CD 3.24Å
320	E	89	Confident	94.7	Very high	99 Å²	99	18.5 Å²	18.5	46%	0.463	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-42	-180	-163.3	63.9	-155.5	0	0	113	G322 R350	E320-G322 PolarHBondContact O-N 3.13Å; E320-G322 VanDerWaalsContact O-N 3.09Å; E320-R350 PolarHBondContact O-NH1 3.31Å; E320-R350 VanDerWaalsContact O-NH1 3.13Å
321	N	88.4	Confident	94.6	Very high	65 Å²	65	18.6 Å²	18.6	35%	0.348	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	5.1	176.7	66.4	-15	0	0	0	114.7	N22 K319 V323	N22-N321 PolarHBondContact OD1-ND2 2.99Å; K319-N321 WeakPolarHBondContact CB-OD1 3.29Å; K319-N321 PolarHBondContact O-N 3.26Å; K319-N321 VanDerWaalsContact O-N 3.15Å; N321-V323 VanDerWaalsContact C-N 3.28Å; N321-V323 PolarHBondContact O-N 3.31Å; N321-V323 WeakPolarHBondContact OD1-CB 3.23Å; N321-V323 PolarHBondContact OD1-N 3.13Å
322	G	90.3	Very high	94.4	Very high	34 Å²	34	19 Å²	19	35%	0.351	10%	0.104	S	C	.	.	S	Bend	trans	80.7	2.8	179.9	0	0	0	0	0	114.7	K319 E320	K319-G322 WeakPolarHBondContact O-CA 3.38Å; K319-G322 PolarHBondContact O-N 3.16Å; E320-G322 PolarHBondContact O-N 3.13Å; E320-G322 VanDerWaalsContact O-N 3.09Å
323	V	92.2	Very high	94.3	Very high	25 Å²	25	19 Å²	19	15%	0.152	10%	0.104	C	C	.	.			trans	-88.1	137.9	-179.7	158.5	0	0	0	0	110.9	K25 E109 K319 N321	K25-V323 HydrophobicContact CD-CG1 4.35Å; K25-V323 HydrophobicContact CD-CG2 4.08Å; K25-V323 VanDerWaalsContact NZ-CB 3.34Å; E109-V323 WeakPolarHBondContact OE1-CA 3.23Å; K319-V323 VanDerWaalsContact CB-O 3.31Å; K319-V323 WeakPolarHBondContact CB-O 3.08Å; K319-V323 PolarHBondContact N-O 3.32Å; N321-V323 VanDerWaalsContact C-N 3.28Å; N321-V323 PolarHBondContact O-N 3.31Å; N321-V323 WeakPolarHBondContact OD1-CB 3.23Å; N321-V323 PolarHBondContact OD1-N 3.13Å
324	R	93.9	Very high	94.3	Very high	46 Å²	46	19 Å²	19	17%	0.174	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-72.9	147	172.1	-63.3	-162.8	-177.5	-78.5	0.1	113.2	P108 E109 W112 D317 V318	P108-R324 HydrophobicContact CB-CB 3.9Å; E109-R324 PolarHBondContact OE1-N 2.78Å; W112-R324 VanDerWaalsContact CZ2-NH2 3.25Å; D317-R324 CarbonylContact O-C 3.49Å; D317-R324 WeakPolarHBondContact O-CA 3.06Å; D317-R324 IonicContact OD1-CZ 2.76Å; D317-R324 IonicContact OD1-NH1 3.75Å; D317-R324 PolarHBondContact OD1-NH1 3.1Å; V318-R324 HydrophobicContact CG2-CG 4.36Å
325	S	93.5	Very high	94.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	11%	0.111	C	C	.	.			trans	-139.2	32	171.6	64.3	0	0	0	0	112.5	F278 D317 K319 T348	F278-S325 WeakPolarHBondContact CE2-O 3.48Å; F278-S325 WeakPolarHBondContact CZ-O 3.41Å; D317-S325 PolarHBondContact O-N 3.1Å; D317-S325 PolarHBondContact O-OG 3.42Å; K319-S325 VanDerWaalsContact CE-OG 3.32Å; K319-S325 WeakPolarHBondContact CE-OG 3.09Å; S325-T348 VanDerWaalsContact OG-CG2 3.23Å; S325-T348 WeakPolarHBondContact OG-CG2 3.43Å
326	G	96.2	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.			trans	-88.5	142.1	174.2	0	0	0	0	0	111.4	P311 D317	P311-G326 VanDerWaalsContact O-CA 3.31Å; P311-G326 WeakPolarHBondContact O-CA 3.46Å; D317-G326 WeakPolarHBondContact OD2-CA 3.5Å; D317-G326 PolarHBondContact OD2-N 3.27Å
327	C	95.2	Very high	93.8	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-85.4	119.4	-179.6	174.5	0	0	0	0	110.3	P277 F278 Q292 I310 P311 L313 L330 L331	P277-C327 HydrophobicContact CG-CB 4.33Å; F278-C327 HydrophobicContact CZ-CB 4.09Å; Q292-C327 PolarHBondContact OE1-SG 3.09Å; I310-C327 HydrophobicContact CD1-CB 3.52Å; P311-C327 PolarHBondContact O-N 3Å; L313-C327 PolarHBondContact N-O 2.89Å; L313-C327 VanDerWaalsContact N-O 3.11Å; C327-L330 HydrophobicContact CB-CB 3.75Å; C327-L330 PolarHBondContact O-N 3.42Å; C327-L330 PolarHBondContact SG-N 2.61Å; C327-L331 PolarHBondContact O-N 2.89Å
328	A	93.4	Very high	93.8	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-35.9	-179.7	0	0	0	0	0	112.5	M105 A111 M115 L313 L331 Q332	M105-A328 HydrophobicContact CE-CB 3.3Å; A111-A328 HydrophobicContact CB-CB 3.89Å; M115-A328 HydrophobicContact SD-CB 4.42Å; L313-A328 HydrophobicContact CB-CB 4.35Å; L313-A328 HydrophobicContact CD2-CB 3.9Å; A328-L331 WeakPolarHBondContact O-CB 3.39Å; A328-L331 PolarHBondContact O-N 3.43Å; A328-Q332 VanDerWaalsContact O-CG 3.32Å; A328-Q332 WeakPolarHBondContact O-CG 3.22Å; A328-Q332 PolarHBondContact O-N 3.24Å
329	E	92.7	Very high	94	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-68.7	-35.5	176.3	-67.6	-65.7	168	0	0	113.1	R88 F89 C289 Q292 V293 S333	R88-E329 IonicContact NH1-OE2 3.77Å; F89-E329 WeakPolarHBondContact CE2-OE1 3.33Å; F89-E329 WeakPolarHBondContact CZ-OE1 3.43Å; C289-E329 PolarHBondContact SG-OE1 2.97Å; C289-E329 VanDerWaalsContact SG-OE1 3.38Å; Q292-E329 HydrophobicContact CB-CB 4.24Å; Q292-E329 HydrophobicContact CB-CG 4.22Å; V293-E329 WeakPolarHBondContact CG2-OE2 3.48Å; E329-S333 PolarHBondContact O-N 3.17Å; E329-S333 VanDerWaalsContact O-N 3.14Å; E329-S333 PolarHBondContact O-OG 2.93Å
330	L	96.2	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-48.1	172.9	178.2	58.7	0	0	0	109.6	W296 I299 L306 T308 I310 P312 C327 Q332 S333 V334	W296-L330 HydrophobicContact CD2-CD1 4.14Å; W296-L330 HydrophobicContact CE3-CD1 4.16Å; W296-L330 HydrophobicContact CZ2-CB 4.4Å; W296-L330 HydrophobicContact CZ3-CD1 4.37Å; I299-L330 HydrophobicContact CD1-CD1 4.28Å; L306-L330 HydrophobicContact CD2-CD1 4.44Å; T308-L330 HydrophobicContact CG2-CD1 4.26Å; T308-L330 HydrophobicContact CG2-CD2 4.25Å; I310-L330 HydrophobicContact CD1-CD2 4.2Å; I310-L330 HydrophobicContact CG1-CD2 3.94Å; P312-L330 HydrophobicContact CB-CD2 4.46Å; P312-L330 HydrophobicContact CB-CG 4.29Å; C327-L330 HydrophobicContact CB-CB 3.75Å; C327-L330 PolarHBondContact O-N 3.42Å; C327-L330 PolarHBondContact SG-N 2.61Å; L330-Q332 VanDerWaalsContact C-N 3.32Å; L330-Q332 PolarHBondContact O-N 2.97Å; L330-S333 PolarHBondContact O-N 3.36Å; L330-S333 VanDerWaalsContact O-N 3.07Å; L330-V334 HydrophobicContact CD1-CG2 4.05Å; L330-V334 HydrophobicContact CG-CG2 4.36Å; L330-V334 WeakPolarHBondContact O-CG2 3.33Å; L330-V334 PolarHBondContact O-N 3.32Å
331	L	96.4	Very high	94.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-52.3	-49.7	175.5	172.1	67.3	0	0	0	111.9	M115 L119 P312 L313 Y315 C327 A328 S333 V334 V335	M115-L331 HydrophobicContact CE-CD2 3.5Å; M115-L331 HydrophobicContact CE-CG 4.43Å; M115-L331 HydrophobicContact SD-CD2 4.38Å; L119-L331 HydrophobicContact CD1-CD2 3.78Å; L119-L331 HydrophobicContact CD2-CD1 4.46Å; L119-L331 HydrophobicContact CD2-CD2 3.86Å; L119-L331 HydrophobicContact CG-CD2 4.48Å; P312-L331 HydrophobicContact CB-CB 3.97Å; P312-L331 HydrophobicContact CB-CD1 4.32Å; L313-L331 HydrophobicContact CB-CB 4.23Å; L313-L331 HydrophobicContact CB-CD2 3.86Å; L313-L331 HydrophobicContact CD2-CD2 4.4Å; L313-L331 HydrophobicContact CG-CD2 4.5Å; L313-L331 WeakPolarHBondContact O-CD2 3.45Å; Y315-L331 HydrophobicContact CD2-CD1 4.11Å; Y315-L331 HydrophobicContact CE2-CD1 3.54Å; C327-L331 PolarHBondContact O-N 2.89Å; A328-L331 WeakPolarHBondContact O-CB 3.39Å; A328-L331 PolarHBondContact O-N 3.43Å; L331-S333 VanDerWaalsContact C-N 3.29Å; L331-S333 PolarHBondContact O-N 2.9Å; L331-V334 PolarHBondContact O-N 3.32Å; L331-V335 HydrophobicContact CD1-CG2 3.6Å; L331-V335 HydrophobicContact CG-CG2 4.4Å; L331-V335 WeakPolarHBondContact O-CG2 3.14Å; L331-V335 PolarHBondContact O-N 3.16Å
332	Q	93.1	Very high	95.2	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-57.6	-42.9	178.1	-71.9	-69.3	-32.1	0	0	111.9	F89 H91 A328 L330 N336	F89-Q332 HydrophobicContact CE1-CG 3.79Å; F89-Q332 HydrophobicContact CZ-CG 4.33Å; H91-Q332 PolarHBondContact CE1-NE2 3.49Å; H91-Q332 VanDerWaalsContact CE1-NE2 3.29Å; H91-Q332 PolarHBondContact NE2-NE2 3.3Å; H91-Q332 VanDerWaalsContact NE2-NE2 3.19Å; A328-Q332 VanDerWaalsContact O-CG 3.32Å; A328-Q332 WeakPolarHBondContact O-CG 3.22Å; A328-Q332 PolarHBondContact O-N 3.24Å; L330-Q332 VanDerWaalsContact C-N 3.32Å; L330-Q332 PolarHBondContact O-N 2.97Å; Q332-N336 VanDerWaalsContact O-CB 3.28Å; Q332-N336 WeakPolarHBondContact O-CB 3.37Å; Q332-N336 PolarHBondContact O-N 2.99Å; Q332-N336 PolarHBondContact OE1-ND2 3.06Å
333	S	94.7	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-37.8	-179.9	-56.2	0	0	0	0	111.9	R88 W296 E329 L330 L331 R337 V338	R88-S333 PolarHBondContact NH1-OG 3.19Å; W296-S333 VanDerWaalsContact CB-OG 3.29Å; W296-S333 WeakPolarHBondContact CB-OG 3.49Å; E329-S333 PolarHBondContact O-N 3.17Å; E329-S333 VanDerWaalsContact O-N 3.14Å; E329-S333 PolarHBondContact O-OG 2.93Å; L330-S333 PolarHBondContact O-N 3.36Å; L330-S333 VanDerWaalsContact O-N 3.07Å; L331-S333 VanDerWaalsContact C-N 3.29Å; L331-S333 PolarHBondContact O-N 2.9Å; S333-R337 WeakPolarHBondContact O-CB 3.49Å; S333-R337 PolarHBondContact O-N 3.15Å; S333-V338 WeakPolarHBondContact O-CG2 3.49Å; S333-V338 PolarHBondContact O-N 3.19Å
334	V	97.1	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-69.4	-52.8	178.4	175.2	0	0	0	0	111	L306 L330 L331 Q339 P340 T360 F362	L306-V334 HydrophobicContact CD2-CG2 3.59Å; L330-V334 HydrophobicContact CD1-CG2 4.05Å; L330-V334 HydrophobicContact CG-CG2 4.36Å; L330-V334 WeakPolarHBondContact O-CG2 3.33Å; L330-V334 PolarHBondContact O-N 3.32Å; L331-V334 PolarHBondContact O-N 3.32Å; V334-Q339 VanDerWaalsContact O-CA 3.31Å; V334-Q339 WeakPolarHBondContact O-CA 3.44Å; V334-Q339 PolarHBondContact O-N 3.13Å; V334-P340 HydrophobicContact CG1-CG 4.17Å; V334-T360 HydrophobicContact CG1-CG2 4.27Å; V334-F362 HydrophobicContact CG1-CE1 3.75Å; V334-F362 HydrophobicContact CG1-CZ 4.06Å
335	V	95.2	Very high	96.1	Very high	34 Å²	34	21.9 Å²	21.9	21%	0.206	10%	0.104	C	C	.	.	I	π-helix	trans	-73.8	-38.6	-172.6	176.8	0	0	0	0	112.4	L331 Q339 F362	L331-V335 HydrophobicContact CD1-CG2 3.6Å; L331-V335 HydrophobicContact CG-CG2 4.4Å; L331-V335 WeakPolarHBondContact O-CG2 3.14Å; L331-V335 PolarHBondContact O-N 3.16Å; V335-Q339 VanDerWaalsContact O-CG 3.23Å; V335-Q339 WeakPolarHBondContact O-CG 3.4Å; V335-Q339 PolarHBondContact O-NE2 2.96Å; V335-F362 HydrophobicContact CG2-CZ 4.47Å
336	N	93.2	Very high	96.3	Very high	101 Å²	101	21.8 Å²	21.8	54%	0.54	10%	0.104	S	C	.	.	I	π-helix	trans	-100.7	-6.8	-169.5	-60.4	-33.6	0	0	0	114.3	Q332	Q332-N336 VanDerWaalsContact O-CB 3.28Å; Q332-N336 WeakPolarHBondContact O-CB 3.37Å; Q332-N336 PolarHBondContact O-N 2.99Å; Q332-N336 PolarHBondContact OE1-ND2 3.06Å
337	R	95.3	Very high	96.3	Very high	86 Å²	86	23.4 Å²	23.4	33%	0.325	11%	0.111	S	C	.	.	I	π-helix	trans	-141.4	-56.4	-172.8	-170.4	178	69.1	81.8	4	114.4	W296 S297 I299 S333	W296-R337 PolarHBondContact O-NH2 3.49Å; S297-R337 PolarHBondContact O-NH2 3.03Å; I299-R337 VanDerWaalsContact O-CZ 3.22Å; I299-R337 PolarHBondContact O-NH1 3.17Å; I299-R337 PolarHBondContact O-NH2 3.03Å; S333-R337 WeakPolarHBondContact O-CB 3.49Å; S333-R337 PolarHBondContact O-N 3.15Å
338	V	97.5	Very high	96.2	Very high	8 Å²	8	23.4 Å²	23.4	5%	0.048	11%	0.111	C	C	.	.	I	π-helix	trans	-78.3	-44.4	-173.1	-177.6	0	0	0	0	110.5	I299 I303 S333 P340	I299-V338 HydrophobicContact CB-CG2 3.93Å; I299-V338 HydrophobicContact CG2-CB 4.42Å; I299-V338 HydrophobicContact CG2-CG1 3.86Å; I299-V338 HydrophobicContact CG2-CG2 3.63Å; I303-V338 HydrophobicContact CB-CG1 4.34Å; S333-V338 WeakPolarHBondContact O-CG2 3.49Å; S333-V338 PolarHBondContact O-N 3.19Å; V338-P340 HydrophobicContact CG1-CB 4.45Å; V338-P340 HydrophobicContact CG1-CG 4.35Å
339	Q	97.6	Very high	96.3	Very high	108 Å²	108	23.9 Å²	23.9	51%	0.505	12%	0.115	S	C	.	.			trans	43.9	53.1	-179.9	-64.2	-177	-11.8	0	0	113.5	V334 V335 T359	V334-Q339 VanDerWaalsContact O-CA 3.31Å; V334-Q339 WeakPolarHBondContact O-CA 3.44Å; V334-Q339 PolarHBondContact O-N 3.13Å; V335-Q339 VanDerWaalsContact O-CG 3.23Å; V335-Q339 WeakPolarHBondContact O-CG 3.4Å; V335-Q339 PolarHBondContact O-NE2 2.96Å; Q339-T359 HydrophobicContact CB-CG2 4.19Å; Q339-T359 HydrophobicContact CG-CG2 4.5Å
340	P	98.4	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.14	C	C	.	.			trans	-66.9	153.9	178	33.9	-34.5	0	0	0	110	I303 L306 V334 V338 F342 H343 T360	I303-P340 WeakPolarHBondContact O-CA 3.48Å; I303-P340 WeakPolarHBondContact O-CB 3.42Å; L306-P340 HydrophobicContact CB-CB 4.2Å; L306-P340 HydrophobicContact CB-CG 3.92Å; V334-P340 HydrophobicContact CG1-CG 4.17Å; V338-P340 HydrophobicContact CG1-CB 4.45Å; V338-P340 HydrophobicContact CG1-CG 4.35Å; P340-F342 VanDerWaalsContact C-N 3.25Å; P340-F342 WeakPolarHBondContact CB-O 3.48Å; P340-F342 PolarHBondContact O-N 3.37Å; P340-H343 HydrophobicContact CG-CB 4.43Å; P340-T360 HydrophobicContact CG-CG2 4.12Å; P340-T360 WeakPolarHBondContact O-CA 3.16Å; P340-T360 VanDerWaalsContact O-CB 3.23Å; P340-T360 WeakPolarHBondContact O-CB 3.42Å; P340-T360 VanDerWaalsContact O-CG2 3.25Å; P340-T360 WeakPolarHBondContact O-CG2 3.44Å; P340-T360 PolarHBondContact O-OG1 3.01Å
341	K	98	Very high	96.4	Very high	86 Å²	86	30.7 Å²	30.7	37%	0.374	14%	0.142	S	C	.	.	S	Bend	trans	-63.5	-37.3	172.7	-67.9	177.9	175.6	-179.9	0	110.9	D304 Q361 F383 Y389	D304-K341 WeakPolarHBondContact O-CB 3.16Å; D304-K341 PolarHBondContact O-N 3.49Å; K341-Q361 PolarHBondContact O-N 2.65Å; K341-F383 HydrophobicContact CB-CE2 4.35Å; K341-F383 HydrophobicContact CD-CE2 3.77Å; K341-F383 HydrophobicContact CD-CZ 3.64Å; K341-Y389 PolarHBondContact NZ-OH 3.4Å
342	F	98.7	Very high	96.4	Very high	16 Å²	16	33.1 Å²	33.1	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.7	177.3	-60.9	-90.9	0	0	0	111.9	D304 I305 L306 P340 Q361 I363 F381 F383	D304-F342 PolarHBondContact O-N 3.27Å; I305-F342 CarbonylContact C-O 3.57Å; I305-F342 WeakPolarHBondContact CA-O 3.47Å; I305-F342 HydrophobicContact CG1-CB 4.21Å; I305-F342 HydrophobicContact CG1-CD2 4.33Å; I305-F342 HydrophobicContact CG2-CB 4.3Å; L306-F342 PolarHBondContact N-O 3.17Å; P340-F342 VanDerWaalsContact C-N 3.25Å; P340-F342 WeakPolarHBondContact CB-O 3.48Å; P340-F342 PolarHBondContact O-N 3.37Å; F342-Q361 CarbonylContact C-O 3.59Å; F342-Q361 VanDerWaalsContact CA-O 3.29Å; F342-Q361 WeakPolarHBondContact CA-O 3.48Å; F342-Q361 HydrophobicContact CD1-CB 3.72Å; F342-Q361 HydrophobicContact CD1-CG 4.47Å; F342-Q361 HydrophobicContact CE1-CB 3.89Å; F342-Q361 HydrophobicContact CE1-CG 4.19Å; F342-I363 HydrophobicContact CD1-CD1 3.9Å; F342-I363 HydrophobicContact CE1-CD1 4.5Å; F342-F381 HydrophobicContact CB-CZ 4.28Å; F342-F381 HydrophobicContact CD1-CD1 4.38Å; F342-F381 AromaticContact CD1-CD2 3.87Å; F342-F381 HydrophobicContact CD1-CD2 3.87Å; F342-F381 HydrophobicContact CD1-CE1 4.27Å; F342-F381 AromaticContact CD1-CE2 3.77Å; F342-F381 HydrophobicContact CD1-CE2 3.77Å; F342-F381 HydrophobicContact CD1-CG 4.18Å; F342-F381 AromaticContact CD1-CZ 3.97Å; F342-F381 HydrophobicContact CD1-CZ 3.97Å; F342-F381 HydrophobicContact CD2-CD2 4.34Å; F342-F381 AromaticContact CD2-CE2 3.68Å; F342-F381 HydrophobicContact CD2-CE2 3.68Å; F342-F381 HydrophobicContact CD2-CZ 4.15Å; F342-F381 HydrophobicContact CE1-CB 4.33Å; F342-F381 HydrophobicContact CE1-CD1 4.47Å; F342-F381 AromaticContact CE1-CD2 3.41Å; F342-F381 HydrophobicContact CE1-CD2 3.41Å; F342-F381 VanDerWaalsContact CE1-CD2 3.41Å; F342-F381 AromaticContact CE1-CE2 3.72Å; F342-F381 HydrophobicContact CE1-CE2 3.72Å; F342-F381 AromaticContact CE1-CG 3.83Å; F342-F381 HydrophobicContact CE1-CG 3.83Å; F342-F381 HydrophobicContact CE1-CZ 4.35Å; F342-F381 AromaticContact CE2-CD2 3.95Å; F342-F381 HydrophobicContact CE2-CD2 3.95Å; F342-F381 AromaticContact CE2-CE2 3.65Å; F342-F381 HydrophobicContact CE2-CE2 3.65Å; F342-F381 HydrophobicContact CG-CD2 4.31Å; F342-F381 AromaticContact CG-CE2 3.75Å; F342-F381 HydrophobicContact CG-CE2 3.75Å; F342-F381 AromaticContact CG-CZ 3.86Å; F342-F381 HydrophobicContact CG-CZ 3.86Å; F342-F381 AromaticContact CZ-CD2 3.45Å; F342-F381 HydrophobicContact CZ-CD2 3.45Å; F342-F381 VanDerWaalsContact CZ-CD2 3.45Å; F342-F381 AromaticContact CZ-CE2 3.66Å; F342-F381 HydrophobicContact CZ-CE2 3.66Å; F342-F381 HydrophobicContact CZ-CG 4.3Å; F342-F383 AromaticContact CD2-CD2 3.85Å; F342-F383 HydrophobicContact CD2-CD2 3.85Å; F342-F383 HydrophobicContact CD2-CE2 4.05Å; F342-F383 AromaticContact CE2-CD2 3.53Å; F342-F383 HydrophobicContact CE2-CD2 3.53Å; F342-F383 AromaticContact CE2-CE2 3.94Å; F342-F383 HydrophobicContact CE2-CE2 3.94Å
343	H	98.9	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.7	168.8	-176.3	-167.8	0	0	0	109	L306 T308 P340 F345 T360 Q361 F362 I363	L306-H343 CarbonylContact O-C 3.55Å; L306-H343 WeakPolarHBondContact O-CA 3.41Å; L306-H343 PolarHBondContact O-CD2 3.23Å; T308-H343 PolarHBondContact OG1-NE2 3.01Å; P340-H343 HydrophobicContact CG-CB 4.43Å; H343-F345 HydrophobicContact CB-CE1 4.49Å; H343-F345 AromaticContact CD2-CD1 3.79Å; H343-F345 AromaticContact CG-CD1 3.97Å; H343-F345 AromaticContact NE2-CD1 3.83Å; H343-F345 WeakPolarHBondContact O-CD1 3.23Å; H343-F345 VanDerWaalsContact O-CE1 3.3Å; H343-F345 WeakPolarHBondContact O-CE1 3.33Å; H343-T360 HydrophobicContact CB-CG2 3.96Å; H343-Q361 PolarHBondContact N-O 3.42Å; H343-F362 HydrophobicContact CB-CD1 3.9Å; H343-F362 HydrophobicContact CB-CE1 4.27Å; H343-F362 AromaticContact ND1-CD1 3.8Å; H343-F362 AromaticContact ND1-CE1 3.89Å; H343-F362 CarbonylContact O-C 3.58Å; H343-F362 WeakPolarHBondContact O-CA 3.29Å; H343-I363 PolarHBondContact O-N 3.37Å
344	I	98.9	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.8	-172.2	-55	164.9	0	0	0	109.7	C142 I162 A164 I305 L306 V307 T308 I363 F381	C142-I344 HydrophobicContact CB-CG2 3.98Å; I162-I344 HydrophobicContact CD1-CD1 3.44Å; I162-I344 VanDerWaalsContact CD1-CD1 3.44Å; I162-I344 HydrophobicContact CG2-CD1 4.3Å; I162-I344 HydrophobicContact CG2-CG2 4.14Å; A164-I344 HydrophobicContact CB-CG2 4.42Å; I305-I344 HydrophobicContact CG2-CD1 3.47Å; I305-I344 VanDerWaalsContact CG2-CD1 3.47Å; I305-I344 HydrophobicContact CG2-CG1 4.18Å; L306-I344 PolarHBondContact O-N 3.17Å; V307-I344 WeakPolarHBondContact CA-O 3.2Å; T308-I344 PolarHBondContact N-O 2.99Å; T308-I344 VanDerWaalsContact O-O 3.1Å; I344-I363 WeakPolarHBondContact CA-O 3.42Å; I344-I363 HydrophobicContact CG1-CB 4.33Å; I344-I363 HydrophobicContact CG1-CD1 4.44Å; I344-F381 HydrophobicContact CD1-CE1 3.81Å; I344-F381 HydrophobicContact CD1-CZ 4.12Å; I344-F381 HydrophobicContact CG1-CE1 4.43Å
345	F	98.9	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	179	-176.5	49.5	-95.1	0	0	0	112.5	T308 I310 P311 P312 Y315 H343 F362 I363 N364 C365	T308-F345 WeakPolarHBondContact O-CA 3.45Å; T308-F345 WeakPolarHBondContact O-CB 3.46Å; I310-F345 VanDerWaalsContact O-CB 3.31Å; I310-F345 WeakPolarHBondContact O-CB 3.41Å; P311-F345 VanDerWaalsContact CA-CD2 3.46Å; P311-F345 HydrophobicContact CB-CD2 3.52Å; P311-F345 HydrophobicContact CB-CE2 3.45Å; P311-F345 VanDerWaalsContact CB-CE2 3.45Å; P311-F345 HydrophobicContact CB-CG 4.29Å; P311-F345 HydrophobicContact CB-CZ 4.21Å; P312-F345 HydrophobicContact CG-CE1 4.09Å; P312-F345 HydrophobicContact CG-CZ 4.37Å; Y315-F345 WeakPolarHBondContact O-CE2 3.44Å; Y315-F345 WeakPolarHBondContact O-CZ 3.4Å; H343-F345 HydrophobicContact CB-CE1 4.49Å; H343-F345 AromaticContact CD2-CD1 3.79Å; H343-F345 AromaticContact CG-CD1 3.97Å; H343-F345 AromaticContact NE2-CD1 3.83Å; H343-F345 WeakPolarHBondContact O-CD1 3.23Å; H343-F345 VanDerWaalsContact O-CE1 3.3Å; H343-F345 WeakPolarHBondContact O-CE1 3.33Å; F345-F362 HydrophobicContact CE1-CB 3.92Å; F345-F362 HydrophobicContact CE1-CD1 4.15Å; F345-F362 HydrophobicContact CZ-CB 3.93Å; F345-I363 PolarHBondContact N-O 2.92Å; F345-N364 HydrophobicContact CD2-CB 3.99Å; F345-N364 HydrophobicContact CE2-CB 3.63Å; F345-N364 CarbonylContact O-C 3.54Å; F345-N364 WeakPolarHBondContact O-CA 3.27Å; F345-C365 PolarHBondContact O-N 3.26Å; F345-C365 PolarHBondContact O-SG 2.82Å
346	G	97.8	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.161	C	C	.	.			trans	-136	-124.7	177.7	0	0	0	0	0	112.9	H309 T348	H309-G346 CarbonylContact O-C 3.51Å; H309-G346 PolarHBondContact O-N 2.83Å; G346-T348 PolarHBondContact O-N 2.65Å
347	Q	94.9	Very high	97.2	Very high	33 Å²	33	32.3 Å²	32.3	15%	0.154	14%	0.143	C	C	.	.	S	Bend	trans	71.8	-32.2	176.5	-175.5	175.7	79.1	0	0	116.7	D145	D145-Q347 WeakPolarHBondContact OD2-CA 3.23Å; D145-Q347 PolarHBondContact OD2-N 3.35Å
348	T	94.5	Very high	97.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.16	C	C	.	.			trans	-122	109	-176.1	83.2	0	0	0	0	112.9	P311 G316 V318 K319 S325 G346 R350 G351 Y352 N364	P311-T348 HydrophobicContact CG-CG2 4.42Å; G316-T348 PolarHBondContact O-OG1 3.35Å; V318-T348 WeakPolarHBondContact O-CB 3.28Å; V318-T348 PolarHBondContact O-OG1 3.06Å; K319-T348 HydrophobicContact CG-CG2 3.98Å; S325-T348 VanDerWaalsContact OG-CG2 3.23Å; S325-T348 WeakPolarHBondContact OG-CG2 3.43Å; G346-T348 PolarHBondContact O-N 2.65Å; T348-R350 VanDerWaalsContact C-N 3.3Å; T348-R350 PolarHBondContact O-N 2.9Å; T348-G351 PolarHBondContact O-N 2.89Å; T348-G351 VanDerWaalsContact O-N 3.13Å; T348-G351 WeakPolarHBondContact OG1-CA 3.33Å; T348-G351 PolarHBondContact OG1-N 3.34Å; T348-Y352 PolarHBondContact O-N 3.13Å; T348-N364 PolarHBondContact O-ND2 3.05Å; T348-N364 PolarHBondContact OG1-ND2 2.83Å
349	A	94.3	Very high	97.2	Very high	15 Å²	15	35.1 Å²	35.1	12%	0.124	18%	0.183	C	C	.	.	S	Bend	trans	-63.4	-34.9	-179.6	0	0	0	0	0	113.3	G351 Y352 C366 C368 D369 N376	A349-G351 VanDerWaalsContact C-N 3.33Å; A349-Y352 VanDerWaalsContact O-CB 3.25Å; A349-Y352 WeakPolarHBondContact O-CB 3.36Å; A349-Y352 PolarHBondContact O-N 3.46Å; A349-C366 PolarHBondContact N-SG 2.58Å; A349-C368 WeakPolarHBondContact CB-O 3.41Å; A349-D369 HydrophobicContact CB-CB 4.45Å; A349-N376 PolarHBondContact O-ND2 3.26Å
350	R	94.9	Very high	97.3	Very high	141 Å²	141	30 Å²	30	53%	0.532	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.4	176.3	175.8	173.9	175	176.3	-0.1	112.6	V318 K319 E320 T348 Y352	V318-R350 WeakPolarHBondContact O-CB 3.42Å; K319-R350 WeakPolarHBondContact O-CD 3.24Å; E320-R350 PolarHBondContact O-NH1 3.31Å; E320-R350 VanDerWaalsContact O-NH1 3.13Å; T348-R350 VanDerWaalsContact C-N 3.3Å; T348-R350 PolarHBondContact O-N 2.9Å; R350-Y352 VanDerWaalsContact C-N 3.29Å
351	G	95.5	Very high	97.3	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.031	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.2	174.1	0	0	0	0	0	114.1	G316 V318 T348 A349 G353 Y355 N364	G316-G351 WeakPolarHBondContact CA-O 3.07Å; V318-G351 PolarHBondContact O-N 3.3Å; T348-G351 PolarHBondContact O-N 2.89Å; T348-G351 VanDerWaalsContact O-N 3.13Å; T348-G351 WeakPolarHBondContact OG1-CA 3.33Å; T348-G351 PolarHBondContact OG1-N 3.34Å; A349-G351 VanDerWaalsContact C-N 3.33Å; G351-G353 PolarHBondContact O-N 3.23Å; G351-Y355 PolarHBondContact O-OH 3.45Å; G351-N364 WeakPolarHBondContact O-CB 3.49Å; G351-N364 PolarHBondContact O-ND2 3.31Å; G351-N364 VanDerWaalsContact O-ND2 3.14Å
352	Y	97.7	Very high	97.3	Very high	53 Å²	53	28.4 Å²	28.4	21%	0.208	15%	0.153	C	C	.	.			trans	-52.6	132.3	177.6	172.4	-96.1	0	0	0	111.4	M126 T348 A349 R350 N364 C366 N376 E377 V379	M126-Y352 HydrophobicContact CE-CE1 3.88Å; M126-Y352 HydrophobicContact CE-CE2 4.45Å; M126-Y352 WeakPolarHBondContact CE-OH 3.23Å; T348-Y352 PolarHBondContact O-N 3.13Å; A349-Y352 VanDerWaalsContact O-CB 3.25Å; A349-Y352 WeakPolarHBondContact O-CB 3.36Å; A349-Y352 PolarHBondContact O-N 3.46Å; R350-Y352 VanDerWaalsContact C-N 3.29Å; Y352-N364 WeakPolarHBondContact CD2-O 3.47Å; Y352-C366 WeakPolarHBondContact CD2-O 3.36Å; Y352-N376 VanDerWaalsContact CB-ND2 3.32Å; Y352-N376 WeakPolarHBondContact CB-ND2 3.37Å; Y352-N376 HydrophobicContact CD1-CB 4.05Å; Y352-N376 HydrophobicContact CD2-CB 3.54Å; Y352-N376 HydrophobicContact CE1-CB 4.05Å; Y352-N376 HydrophobicContact CE2-CB 3.54Å; Y352-N376 HydrophobicContact CG-CB 3.81Å; Y352-E377 VanDerWaalsContact CE2-O 3.27Å; Y352-E377 WeakPolarHBondContact CE2-O 3.4Å; Y352-E377 PolarHBondContact OH-O 2.94Å; Y352-V379 HydrophobicContact CD2-CG2 4.34Å; Y352-V379 HydrophobicContact CE2-CG2 3.46Å; Y352-V379 VanDerWaalsContact CE2-CG2 3.46Å
353	G	97.6	Very high	97.3	Very high	7 Å²	7	27.7 Å²	27.7	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.7	-169.6	179.2	0	0	0	0	0	113.7	G351 N364	G351-G353 PolarHBondContact O-N 3.23Å; G353-N364 PolarHBondContact N-O 3.23Å; G353-N364 PolarHBondContact O-N 2.83Å
354	R	98.4	Very high	97.3	Very high	23 Å²	23	27.7 Å²	27.7	9%	0.087	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.2	-179.1	-64.9	171.9	63.7	-166.2	8.4	110.7	I124 E125 M126 T127 F362 I363 V379	I124-R354 HydrophobicContact CB-CB 3.81Å; I124-R354 HydrophobicContact CG2-CB 4.29Å; I124-R354 PolarHBondContact N-O 3.45Å; E125-R354 PolarHBondContact O-NH1 3.34Å; M126-R354 HydrophobicContact SD-CB 4.26Å; M126-R354 HydrophobicContact SD-CG 3.74Å; T127-R354 PolarHBondContact OG1-NH1 2.94Å; R354-F362 CarbonylContact C-O 3.49Å; R354-F362 WeakPolarHBondContact CA-O 3.49Å; R354-I363 HydrophobicContact CG-CG1 4.17Å; R354-I363 HydrophobicContact CG-CG2 4.35Å; R354-V379 HydrophobicContact CG-CG1 3.94Å
355	Y	98.4	Very high	97.3	Very high	48 Å²	48	27.7 Å²	27.7	19%	0.188	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163	-179.3	-51	-89.7	0	0	0	110.4	V121 E122 P123 Y315 G316 G351 Q361 F362	V121-Y355 HydrophobicContact CG1-CD1 4.1Å; E122-Y355 CarbonylContact O-C 3.38Å; E122-Y355 WeakPolarHBondContact O-CA 3.47Å; P123-Y355 HydrophobicContact CB-CD1 4.41Å; Y315-Y355 HydrophobicContact CD1-CG 4.5Å; G316-Y355 VanDerWaalsContact CA-CE2 3.45Å; G351-Y355 PolarHBondContact O-OH 3.45Å; Y355-Q361 CarbonylContact O-C 3.58Å; Y355-Q361 WeakPolarHBondContact O-CA 3.27Å; Y355-F362 PolarHBondContact N-O 2.95Å; Y355-F362 PolarHBondContact O-N 3.33Å
356	T	98.2	Very high	97.3	Very high	18 Å²	18	27.8 Å²	27.8	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.7	175.5	-173.8	0	0	0	0	112.3	E122 I124 G358 T360	E122-T356 HydrophobicContact CB-CG2 3.9Å; E122-T356 PolarHBondContact N-O 3.37Å; E122-T356 PolarHBondContact O-N 3.49Å; I124-T356 HydrophobicContact CD1-CG2 3.7Å; I124-T356 HydrophobicContact CG1-CG2 3.8Å; T356-G358 PolarHBondContact OG1-N 3.17Å; T356-T360 WeakPolarHBondContact CA-O 3.49Å; T356-T360 PolarHBondContact OG1-O 2.84Å
357	N	96.9	Very high	97.3	Very high	32 Å²	32	28 Å²	28	17%	0.171	15%	0.152	C	C	.	.			trans	-115.3	16.6	165.9	68.6	-0.4	0	0	0	112.2	V120 Y315 T359 T360 F362	V120-N357 HydrophobicContact CB-CB 4.48Å; V120-N357 WeakPolarHBondContact O-CB 3.38Å; Y315-N357 HydrophobicContact CE1-CB 4.47Å; Y315-N357 WeakPolarHBondContact OH-CB 3.33Å; N357-T359 VanDerWaalsContact C-N 3.28Å; N357-T359 PolarHBondContact O-N 3.05Å; N357-T359 PolarHBondContact OD1-N 3.49Å; N357-T360 PolarHBondContact N-O 2.89Å; N357-T360 PolarHBondContact OD1-N 3.33Å; N357-T360 PolarHBondContact OD1-O 3.26Å; N357-F362 HydrophobicContact CB-CE2 4.35Å
358	G	96.4	Very high	97.4	Very high	66 Å²	66	26.7 Å²	26.7	68%	0.68	15%	0.147	S	C	*	.	S	Bend	trans	86.3	-22.3	-174.3	0	0	0	0	0	114.8	T356	T356-G358 PolarHBondContact OG1-N 3.17Å
359	T	97.1	Very high	97.3	Very high	86 Å²	86	28 Å²	28	53%	0.528	15%	0.153	S	C	.	.	S	Bend	trans	-106.3	-49.2	178.6	-56.9	0	0	0	0	112.3	Q339 N357	Q339-T359 HydrophobicContact CB-CG2 4.19Å; Q339-T359 HydrophobicContact CG-CG2 4.5Å; N357-T359 VanDerWaalsContact C-N 3.28Å; N357-T359 PolarHBondContact O-N 3.05Å; N357-T359 PolarHBondContact OD1-N 3.49Å
360	T	98.5	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.			trans	-114.4	134	-178	-60.9	0	0	0	0	109.5	V334 P340 H343 T356 N357 F362	V334-T360 HydrophobicContact CG1-CG2 4.27Å; P340-T360 HydrophobicContact CG-CG2 4.12Å; P340-T360 WeakPolarHBondContact O-CA 3.16Å; P340-T360 VanDerWaalsContact O-CB 3.23Å; P340-T360 WeakPolarHBondContact O-CB 3.42Å; P340-T360 VanDerWaalsContact O-CG2 3.25Å; P340-T360 WeakPolarHBondContact O-CG2 3.44Å; P340-T360 PolarHBondContact O-OG1 3.01Å; H343-T360 HydrophobicContact CB-CG2 3.96Å; T356-T360 WeakPolarHBondContact CA-O 3.49Å; T356-T360 PolarHBondContact OG1-O 2.84Å; N357-T360 PolarHBondContact N-O 2.89Å; N357-T360 PolarHBondContact OD1-N 3.33Å; N357-T360 PolarHBondContact OD1-O 3.26Å; T360-F362 HydrophobicContact CG2-CD1 4.21Å; T360-F362 HydrophobicContact CG2-CD2 4.18Å; T360-F362 HydrophobicContact CG2-CE1 3.9Å; T360-F362 HydrophobicContact CG2-CE2 3.84Å; T360-F362 HydrophobicContact CG2-CG 4.36Å; T360-F362 HydrophobicContact CG2-CZ 3.69Å; T360-F362 WeakPolarHBondContact O-CD2 3.35Å; T360-F362 VanDerWaalsContact O-CE2 3.3Å; T360-F362 WeakPolarHBondContact O-CE2 3.43Å
361	Q	98.5	Very high	96.7	Very high	54 Å²	54	31 Å²	31	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.2	165.4	-62.6	-170.1	30	0	0	110.3	I124 K341 F342 H343 Y355	I124-Q361 HydrophobicContact CD1-CB 4.34Å; I124-Q361 HydrophobicContact CD1-CG 3.76Å; K341-Q361 PolarHBondContact O-N 2.65Å; F342-Q361 CarbonylContact C-O 3.59Å; F342-Q361 VanDerWaalsContact CA-O 3.29Å; F342-Q361 WeakPolarHBondContact CA-O 3.48Å; F342-Q361 HydrophobicContact CD1-CB 3.72Å; F342-Q361 HydrophobicContact CD1-CG 4.47Å; F342-Q361 HydrophobicContact CE1-CB 3.89Å; F342-Q361 HydrophobicContact CE1-CG 4.19Å; H343-Q361 PolarHBondContact N-O 3.42Å; Y355-Q361 CarbonylContact O-C 3.58Å; Y355-Q361 WeakPolarHBondContact O-CA 3.27Å
362	F	98.8	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.2	-179.6	-59.6	-92.6	0	0	0	109.3	P312 Y315 V334 V335 H343 F345 R354 Y355 N357 T360	P312-F362 HydrophobicContact CG-CD1 3.61Å; P312-F362 HydrophobicContact CG-CE1 3.77Å; Y315-F362 HydrophobicContact CD1-CB 3.97Å; Y315-F362 HydrophobicContact CD1-CD1 4.36Å; Y315-F362 AromaticContact CD1-CD2 3.33Å; Y315-F362 HydrophobicContact CD1-CD2 3.33Å; Y315-F362 AromaticContact CD1-CE2 3.85Å; Y315-F362 HydrophobicContact CD1-CE2 3.85Å; Y315-F362 AromaticContact CD1-CG 3.63Å; Y315-F362 HydrophobicContact CD1-CG 3.63Å; Y315-F362 AromaticContact CD2-CD1 3.9Å; Y315-F362 HydrophobicContact CD2-CD1 3.9Å; Y315-F362 HydrophobicContact CD2-CD2 4.13Å; Y315-F362 AromaticContact CD2-CE1 3.89Å; Y315-F362 HydrophobicContact CD2-CE1 3.89Å; Y315-F362 HydrophobicContact CD2-CE2 4.14Å; Y315-F362 HydrophobicContact CD2-CG 4.01Å; Y315-F362 HydrophobicContact CD2-CZ 4.02Å; Y315-F362 AromaticContact CE1-CD2 3.42Å; Y315-F362 HydrophobicContact CE1-CD2 3.42Å; Y315-F362 VanDerWaalsContact CE1-CD2 3.42Å; Y315-F362 AromaticContact CE1-CE2 3.48Å; Y315-F362 HydrophobicContact CE1-CE2 3.48Å; Y315-F362 VanDerWaalsContact CE1-CE2 3.48Å; Y315-F362 HydrophobicContact CE1-CG 4.16Å; Y315-F362 HydrophobicContact CE1-CZ 4.24Å; Y315-F362 HydrophobicContact CE2-CD1 4.43Å; Y315-F362 HydrophobicContact CE2-CD2 4.21Å; Y315-F362 HydrophobicContact CE2-CE1 4.03Å; Y315-F362 AromaticContact CE2-CE2 3.81Å; Y315-F362 HydrophobicContact CE2-CE2 3.81Å; Y315-F362 AromaticContact CE2-CZ 3.7Å; Y315-F362 HydrophobicContact CE2-CZ 3.7Å; Y315-F362 HydrophobicContact CG-CB 3.89Å; Y315-F362 AromaticContact CG-CD1 3.86Å; Y315-F362 HydrophobicContact CG-CD1 3.86Å; Y315-F362 AromaticContact CG-CD2 3.69Å; Y315-F362 HydrophobicContact CG-CD2 3.69Å; Y315-F362 HydrophobicContact CG-CE1 4.27Å; Y315-F362 HydrophobicContact CG-CE2 4.15Å; Y315-F362 AromaticContact CG-CG 3.53Å; Y315-F362 HydrophobicContact CG-CG 3.53Å; Y315-F362 HydrophobicContact CG-CZ 4.41Å; Y315-F362 AromaticContact CZ-CD2 3.88Å; Y315-F362 AromaticContact CZ-CE2 3.46Å; Y315-F362 VanDerWaalsContact CZ-CE2 3.46Å; Y315-F362 AromaticContact CZ-CZ 3.82Å; V334-F362 HydrophobicContact CG1-CE1 3.75Å; V334-F362 HydrophobicContact CG1-CZ 4.06Å; V335-F362 HydrophobicContact CG2-CZ 4.47Å; H343-F362 HydrophobicContact CB-CD1 3.9Å; H343-F362 HydrophobicContact CB-CE1 4.27Å; H343-F362 AromaticContact ND1-CD1 3.8Å; H343-F362 AromaticContact ND1-CE1 3.89Å; H343-F362 CarbonylContact O-C 3.58Å; H343-F362 WeakPolarHBondContact O-CA 3.29Å; F345-F362 HydrophobicContact CE1-CB 3.92Å; F345-F362 HydrophobicContact CE1-CD1 4.15Å; F345-F362 HydrophobicContact CZ-CB 3.93Å; R354-F362 CarbonylContact C-O 3.49Å; R354-F362 WeakPolarHBondContact CA-O 3.49Å; Y355-F362 PolarHBondContact N-O 2.95Å; Y355-F362 PolarHBondContact O-N 3.33Å; N357-F362 HydrophobicContact CB-CE2 4.35Å; T360-F362 HydrophobicContact CG2-CD1 4.21Å; T360-F362 HydrophobicContact CG2-CD2 4.18Å; T360-F362 HydrophobicContact CG2-CE1 3.9Å; T360-F362 HydrophobicContact CG2-CE2 3.84Å; T360-F362 HydrophobicContact CG2-CG 4.36Å; T360-F362 HydrophobicContact CG2-CZ 3.69Å; T360-F362 WeakPolarHBondContact O-CD2 3.35Å; T360-F362 VanDerWaalsContact O-CE2 3.3Å; T360-F362 WeakPolarHBondContact O-CE2 3.43Å
363	I	98.8	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110	-173.5	-53.7	-172.4	0	0	0	109	F342 H343 I344 F345 R354 C365 V379 F381	F342-I363 HydrophobicContact CD1-CD1 3.9Å; F342-I363 HydrophobicContact CE1-CD1 4.5Å; H343-I363 PolarHBondContact O-N 3.37Å; I344-I363 WeakPolarHBondContact CA-O 3.42Å; I344-I363 HydrophobicContact CG1-CB 4.33Å; I344-I363 HydrophobicContact CG1-CD1 4.44Å; F345-I363 PolarHBondContact N-O 2.92Å; R354-I363 HydrophobicContact CG-CG1 4.17Å; R354-I363 HydrophobicContact CG-CG2 4.35Å; I363-C365 HydrophobicContact CG2-CB 4.44Å; I363-V379 HydrophobicContact CG2-CB 3.93Å; I363-V379 HydrophobicContact CG2-CG1 3.68Å; I363-V379 HydrophobicContact CG2-CG2 4.23Å; I363-F381 HydrophobicContact CD1-CD1 3.35Å; I363-F381 HydrophobicContact CD1-CE1 3.69Å; I363-F381 HydrophobicContact CD1-CG 4.08Å
364	N	98.7	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.9	165	-177.3	-20.8	0	0	0	109.2	G316 F345 T348 G351 Y352 G353 C366	G316-N364 PolarHBondContact O-ND2 2.88Å; F345-N364 HydrophobicContact CD2-CB 3.99Å; F345-N364 HydrophobicContact CE2-CB 3.63Å; F345-N364 CarbonylContact O-C 3.54Å; F345-N364 WeakPolarHBondContact O-CA 3.27Å; T348-N364 PolarHBondContact O-ND2 3.05Å; T348-N364 PolarHBondContact OG1-ND2 2.83Å; G351-N364 WeakPolarHBondContact O-CB 3.49Å; G351-N364 PolarHBondContact O-ND2 3.31Å; G351-N364 VanDerWaalsContact O-ND2 3.14Å; Y352-N364 WeakPolarHBondContact CD2-O 3.47Å; G353-N364 PolarHBondContact N-O 3.23Å; G353-N364 PolarHBondContact O-N 2.83Å; N364-C366 WeakPolarHBondContact OD1-CB 3.15Å; N364-C366 PolarHBondContact OD1-N 2.89Å
365	C	98.5	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.			trans	-106.9	29.1	-179.5	59.5	0	0	0	0	113.6	C142 M143 A144 F345 I363 I367 V379	C142-C365 HydrophobicContact CB-CB 3.8Å; C142-C365 WeakPolarHBondContact O-CB 3.45Å; M143-C365 CarbonylContact C-O 3.49Å; M143-C365 PolarHBondContact O-SG 2.83Å; A144-C365 PolarHBondContact N-O 3.05Å; F345-C365 PolarHBondContact O-N 3.26Å; F345-C365 PolarHBondContact O-SG 2.82Å; I363-C365 HydrophobicContact CG2-CB 4.44Å; C365-I367 PolarHBondContact O-N 3.08Å; C365-V379 HydrophobicContact CB-CB 4.29Å; C365-V379 HydrophobicContact CB-CG2 3.78Å
366	C	98.2	Very high	95.8	Very high	3 Å²	3	40 Å²	40	2%	0.02	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-62	118.3	177.4	-171	0	0	0	0	111.9	D145 A349 Y352 N364 N376	D145-C366 PolarHBondContact OD2-SG 3.43Å; A349-C366 PolarHBondContact N-SG 2.58Å; Y352-C366 WeakPolarHBondContact CD2-O 3.36Å; N364-C366 WeakPolarHBondContact OD1-CB 3.15Å; N364-C366 PolarHBondContact OD1-N 2.89Å; C366-N376 WeakPolarHBondContact O-CB 3.25Å; C366-N376 PolarHBondContact O-ND2 3.39Å
367	I	98.1	Very high	95.7	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	24%	0.243	C	C	.	.			trans	-85.2	-51.4	-175.8	-62.7	-63.1	0	0	0	112.3	M143 A144 T146 C365 P374 K375 N376 E377	M143-I367 HydrophobicContact CB-CD1 4.15Å; M143-I367 HydrophobicContact CB-CG1 3.94Å; A144-I367 WeakPolarHBondContact O-CB 3.33Å; A144-I367 WeakPolarHBondContact O-CG1 3.33Å; A144-I367 PolarHBondContact O-N 2.77Å; T146-I367 HydrophobicContact CG2-CB 4.47Å; T146-I367 HydrophobicContact CG2-CG1 4.23Å; C365-I367 PolarHBondContact O-N 3.08Å; I367-P374 HydrophobicContact CG2-CB 4.01Å; I367-K375 PolarHBondContact O-N 3.3Å; I367-N376 WeakPolarHBondContact CD1-O 3.31Å; I367-N376 PolarHBondContact O-N 2.82Å; I367-N376 VanDerWaalsContact O-N 3.1Å; I367-E377 WeakPolarHBondContact CD1-O 3.42Å
368	C	96.7	Very high	95.7	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.047	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-86.9	140.7	-173.5	-67.8	0	0	0	0	112.9	D145 A349 N373	D145-C368 WeakPolarHBondContact O-CB 3.25Å; D145-C368 PolarHBondContact O-SG 3.11Å; A349-C368 WeakPolarHBondContact CB-O 3.41Å; C368-N373 CarbonylContact C-O 3.43Å; C368-N373 VanDerWaalsContact CA-O 3.26Å; C368-N373 WeakPolarHBondContact CA-O 3.43Å
369	D	93.7	Very high	95.8	Very high	29 Å²	29	39.4 Å²	39.4	16%	0.155	20%	0.203	C	C	.	.			trans	-72.3	177.2	167	74.1	7.9	0	0	0	112.6	A349 K371 M372 N373 K375	A349-D369 HydrophobicContact CB-CB 4.45Å; D369-K371 PolarHBondContact O-N 3.17Å; D369-K371 VanDerWaalsContact O-N 3.12Å; D369-K371 VanDerWaalsContact OD1-C 3.31Å; D369-K371 VanDerWaalsContact OD1-CA 3.28Å; D369-K371 WeakPolarHBondContact OD1-CA 3.22Å; D369-K371 WeakPolarHBondContact OD1-CB 3.24Å; D369-K371 PolarHBondContact OD1-N 3.32Å; D369-M372 WeakPolarHBondContact O-CA 3.46Å; D369-M372 PolarHBondContact O-N 3.38Å; D369-M372 PolarHBondContact OD1-N 2.57Å; D369-N373 PolarHBondContact N-O 3.1Å; D369-N373 PolarHBondContact OD1-N 2.84Å; D369-N373 PolarHBondContact OD1-ND2 2.96Å; D369-N373 PolarHBondContact OD2-ND2 3.45Å; D369-K375 HydrophobicContact CB-CB 4.35Å; D369-K375 HydrophobicContact CB-CD 4.29Å
370	S	87.8	Confident	95.8	Very high	69 Å²	69	35.4 Å²	35.4	48%	0.483	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.9	177.1	59.7	0	0	0	0	114.4	M372	S370-M372 VanDerWaalsContact C-N 3.34Å
371	K	89.4	Confident	95.8	Very high	150 Å²	150	35.5 Å²	35.5	65%	0.652	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.9	174.3	-63.7	176.3	-176.7	172.8	0	112.1	K11 D369 N373	K11-K371 PolarHBondContact NZ-O 3.16Å; D369-K371 PolarHBondContact O-N 3.17Å; D369-K371 VanDerWaalsContact O-N 3.12Å; D369-K371 VanDerWaalsContact OD1-C 3.31Å; D369-K371 VanDerWaalsContact OD1-CA 3.28Å; D369-K371 WeakPolarHBondContact OD1-CA 3.22Å; D369-K371 WeakPolarHBondContact OD1-CB 3.24Å; D369-K371 PolarHBondContact OD1-N 3.32Å; K371-N373 WeakPolarHBondContact CB-ND2 3.33Å
372	M	88.7	Confident	95.6	Very high	35 Å²	35	34.2 Å²	34.2	17%	0.172	17%	0.174	C	C	.	.	S	Bend	trans	71.8	28.6	-177.5	-45.5	-66.2	-64	0	0	113.3	C147 D369 S370	C147-M372 HydrophobicContact CB-CE 3.02Å; C147-M372 WeakPolarHBondContact SG-CE 3.31Å; D369-M372 WeakPolarHBondContact O-CA 3.46Å; D369-M372 PolarHBondContact O-N 3.38Å; D369-M372 PolarHBondContact OD1-N 2.57Å; S370-M372 VanDerWaalsContact C-N 3.34Å
373	N	93.3	Very high	95.5	Very high	83 Å²	83	34.4 Å²	34.4	44%	0.444	18%	0.175	S	C	.	.			trans	-91	130.5	170	-52.8	-54.8	0	0	0	108.7	C368 D369 K371 K375	C368-N373 CarbonylContact C-O 3.43Å; C368-N373 VanDerWaalsContact CA-O 3.26Å; C368-N373 WeakPolarHBondContact CA-O 3.43Å; D369-N373 PolarHBondContact N-O 3.1Å; D369-N373 PolarHBondContact OD1-N 2.84Å; D369-N373 PolarHBondContact OD1-ND2 2.96Å; D369-N373 PolarHBondContact OD2-ND2 3.45Å; K371-N373 WeakPolarHBondContact CB-ND2 3.33Å; N373-K375 PolarHBondContact O-N 3.06Å
374	P	94.6	Very high	95.2	Very high	44 Å²	44	40.4 Å²	40.4	29%	0.286	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-58.8	109.5	165.5	-19.5	31.9	0	0	0	108.7	K149 Q152 I367	K149-P374 HydrophobicContact CB-CG 3.85Å; K149-P374 HydrophobicContact CG-CG 4.47Å; Q152-P374 HydrophobicContact CB-CG 4Å; I367-P374 HydrophobicContact CG2-CB 4.01Å
375	K	94.8	Very high	94.8	Very high	133 Å²	133	41.3 Å²	41.3	58%	0.578	21%	0.206	S	C	*	.			trans	-111.8	-39	-175.5	-179.4	-174.2	173.4	-170.3	0	111.3	I367 D369 N373	I367-K375 PolarHBondContact O-N 3.3Å; D369-K375 HydrophobicContact CB-CB 4.35Å; D369-K375 HydrophobicContact CB-CD 4.29Å; N373-K375 PolarHBondContact O-N 3.06Å
376	N	96.4	Very high	94.1	Very high	28 Å²	28	44.7 Å²	44.7	15%	0.15	22%	0.224	C	C	.	.	S	Bend	trans	-102.6	154.3	-176	-55.6	-38.7	0	0	0	110.5	A349 Y352 C366 I367	A349-N376 PolarHBondContact O-ND2 3.26Å; Y352-N376 VanDerWaalsContact CB-ND2 3.32Å; Y352-N376 WeakPolarHBondContact CB-ND2 3.37Å; Y352-N376 HydrophobicContact CD1-CB 4.05Å; Y352-N376 HydrophobicContact CD2-CB 3.54Å; Y352-N376 HydrophobicContact CE1-CB 4.05Å; Y352-N376 HydrophobicContact CE2-CB 3.54Å; Y352-N376 HydrophobicContact CG-CB 3.81Å; C366-N376 WeakPolarHBondContact O-CB 3.25Å; C366-N376 PolarHBondContact O-ND2 3.39Å; I367-N376 WeakPolarHBondContact CD1-O 3.31Å; I367-N376 PolarHBondContact O-N 2.82Å; I367-N376 VanDerWaalsContact O-N 3.1Å
377	E	95.9	Very high	93.1	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-84.8	167.8	174.6	-62	-174.2	133.6	0	0	111.1	V129 Y352 I367	V129-E377 HydrophobicContact CG1-CB 4.29Å; Y352-E377 VanDerWaalsContact CE2-O 3.27Å; Y352-E377 WeakPolarHBondContact CE2-O 3.4Å; Y352-E377 PolarHBondContact OH-O 2.94Å; I367-E377 WeakPolarHBondContact CD1-O 3.42Å
378	A	97.6	Very high	92.2	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-65	143.4	169.1	0	0	0	0	0	110.2	V141 C142 M143 P156	V141-A378 HydrophobicContact CG1-CB 3.74Å; C142-A378 CarbonylContact O-C 3.53Å; C142-A378 WeakPolarHBondContact O-CA 3.32Å; M143-A378 HydrophobicContact CE-CB 4.49Å; P156-A378 HydrophobicContact CG-CB 4.38Å
379	V	98	Very high	91.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.4	179	-173.3	0	0	0	0	109.4	M126 C142 Y352 R354 I363 C365	M126-V379 HydrophobicContact CE-CB 4.08Å; M126-V379 HydrophobicContact CE-CG1 3.58Å; M126-V379 HydrophobicContact CE-CG2 3.63Å; M126-V379 HydrophobicContact SD-CG1 4.42Å; C142-V379 HydrophobicContact CB-CB 4.33Å; C142-V379 WeakPolarHBondContact CB-O 3.45Å; C142-V379 PolarHBondContact N-O 2.86Å; C142-V379 PolarHBondContact O-N 3.2Å; Y352-V379 HydrophobicContact CD2-CG2 4.34Å; Y352-V379 HydrophobicContact CE2-CG2 3.46Å; Y352-V379 VanDerWaalsContact CE2-CG2 3.46Å; R354-V379 HydrophobicContact CG-CG1 3.94Å; I363-V379 HydrophobicContact CG2-CB 3.93Å; I363-V379 HydrophobicContact CG2-CG1 3.68Å; I363-V379 HydrophobicContact CG2-CG2 4.23Å; C365-V379 HydrophobicContact CB-CB 4.29Å; C365-V379 HydrophobicContact CB-CG2 3.78Å
380	I	97.5	Very high	90.4	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.3	175.1	71.8	170.7	0	0	0	111.9	T127 D128 F140 V141 P156	T127-I380 HydrophobicContact CG2-CD1 3.7Å; T127-I380 HydrophobicContact CG2-CG1 3.68Å; D128-I380 WeakPolarHBondContact O-CD1 3.38Å; F140-I380 VanDerWaalsContact O-CA 3.26Å; F140-I380 WeakPolarHBondContact O-CA 3.21Å; V141-I380 HydrophobicContact CG1-CG2 4.5Å; V141-I380 HydrophobicContact CG2-CG2 4.05Å; P156-I380 HydrophobicContact CB-CG2 4.37Å; P156-I380 HydrophobicContact CG-CG2 3.51Å
381	F	97	Very high	88.8	Confident	2 Å²	2	62 Å²	62	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.7	165.4	71.5	-91.1	0	0	0	110.9	F140 C142 I305 F342 I344 I363 F383	F140-F381 HydrophobicContact CB-CD1 3.86Å; F140-F381 HydrophobicContact CB-CD2 4.3Å; F140-F381 HydrophobicContact CB-CE1 3.41Å; F140-F381 VanDerWaalsContact CB-CE1 3.41Å; F140-F381 HydrophobicContact CB-CE2 3.89Å; F140-F381 HydrophobicContact CB-CG 4.3Å; F140-F381 HydrophobicContact CB-CZ 3.43Å; F140-F381 VanDerWaalsContact CB-CZ 3.43Å; F140-F381 HydrophobicContact CD1-CZ 4.15Å; F140-F381 HydrophobicContact CD2-CD2 4.36Å; F140-F381 AromaticContact CD2-CE2 3.62Å; F140-F381 HydrophobicContact CD2-CE2 3.62Å; F140-F381 AromaticContact CD2-CZ 3.77Å; F140-F381 HydrophobicContact CD2-CZ 3.77Å; F140-F381 HydrophobicContact CE2-CE2 4.39Å; F140-F381 HydrophobicContact CG-CE1 4.02Å; F140-F381 AromaticContact CG-CE2 3.86Å; F140-F381 HydrophobicContact CG-CE2 3.86Å; F140-F381 AromaticContact CG-CZ 3.51Å; F140-F381 HydrophobicContact CG-CZ 3.51Å; F140-F381 PolarHBondContact N-O 3Å; F140-F381 PolarHBondContact O-N 3.13Å; F140-F381 VanDerWaalsContact O-N 3.08Å; C142-F381 VanDerWaalsContact SG-CE1 3.59Å; I305-F381 HydrophobicContact CD1-CE2 4.43Å; I305-F381 HydrophobicContact CD1-CZ 4.01Å; F342-F381 HydrophobicContact CB-CZ 4.28Å; F342-F381 HydrophobicContact CD1-CD1 4.38Å; F342-F381 AromaticContact CD1-CD2 3.87Å; F342-F381 HydrophobicContact CD1-CD2 3.87Å; F342-F381 HydrophobicContact CD1-CE1 4.27Å; F342-F381 AromaticContact CD1-CE2 3.77Å; F342-F381 HydrophobicContact CD1-CE2 3.77Å; F342-F381 HydrophobicContact CD1-CG 4.18Å; F342-F381 AromaticContact CD1-CZ 3.97Å; F342-F381 HydrophobicContact CD1-CZ 3.97Å; F342-F381 HydrophobicContact CD2-CD2 4.34Å; F342-F381 AromaticContact CD2-CE2 3.68Å; F342-F381 HydrophobicContact CD2-CE2 3.68Å; F342-F381 HydrophobicContact CD2-CZ 4.15Å; F342-F381 HydrophobicContact CE1-CB 4.33Å; F342-F381 HydrophobicContact CE1-CD1 4.47Å; F342-F381 AromaticContact CE1-CD2 3.41Å; F342-F381 HydrophobicContact CE1-CD2 3.41Å; F342-F381 VanDerWaalsContact CE1-CD2 3.41Å; F342-F381 AromaticContact CE1-CE2 3.72Å; F342-F381 HydrophobicContact CE1-CE2 3.72Å; F342-F381 AromaticContact CE1-CG 3.83Å; F342-F381 HydrophobicContact CE1-CG 3.83Å; F342-F381 HydrophobicContact CE1-CZ 4.35Å; F342-F381 AromaticContact CE2-CD2 3.95Å; F342-F381 HydrophobicContact CE2-CD2 3.95Å; F342-F381 AromaticContact CE2-CE2 3.65Å; F342-F381 HydrophobicContact CE2-CE2 3.65Å; F342-F381 HydrophobicContact CG-CD2 4.31Å; F342-F381 AromaticContact CG-CE2 3.75Å; F342-F381 HydrophobicContact CG-CE2 3.75Å; F342-F381 AromaticContact CG-CZ 3.86Å; F342-F381 HydrophobicContact CG-CZ 3.86Å; F342-F381 AromaticContact CZ-CD2 3.45Å; F342-F381 HydrophobicContact CZ-CD2 3.45Å; F342-F381 VanDerWaalsContact CZ-CD2 3.45Å; F342-F381 AromaticContact CZ-CE2 3.66Å; F342-F381 HydrophobicContact CZ-CE2 3.66Å; F342-F381 HydrophobicContact CZ-CG 4.3Å; I344-F381 HydrophobicContact CD1-CE1 3.81Å; I344-F381 HydrophobicContact CD1-CZ 4.12Å; I344-F381 HydrophobicContact CG1-CE1 4.43Å; I363-F381 HydrophobicContact CD1-CD1 3.35Å; I363-F381 HydrophobicContact CD1-CE1 3.69Å; I363-F381 HydrophobicContact CD1-CG 4.08Å; F381-F383 HydrophobicContact CE2-CB 4.29Å; F381-F383 HydrophobicContact CE2-CD2 4.36Å
382	D	95.4	Very high	86.7	Confident	28 Å²	28	59 Å²	59	15%	0.15	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.1	179.2	-69	-32.9	0	0	0	110.1	K134 Y137 R139	K134-D382 WeakPolarHBondContact CD-OD2 3.44Å; K134-D382 IonicContact NZ-OD2 2.8Å; Y137-D382 HydrophobicContact CD1-CB 3.64Å; Y137-D382 HydrophobicContact CE1-CB 4.5Å; Y137-D382 HydrophobicContact CG-CB 4.02Å; R139-D382 IonicContact CZ-OD1 3.13Å; R139-D382 IonicContact CZ-OD2 3.64Å; R139-D382 IonicContact NE-OD1 3.27Å; R139-D382 PolarHBondContact NE-OD1 3.4Å; R139-D382 IonicContact NE-OD2 3.43Å; R139-D382 IonicContact NH2-OD1 3.07Å; R139-D382 PolarHBondContact NH2-OD1 3.45Å; R139-D382 VanDerWaalsContact NH2-OD1 3.14Å; R139-D382 IonicContact NH2-OD2 3.93Å; R139-D382 PolarHBondContact NH2-OD2 2.96Å
383	F	95.6	Very high	84.6	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.6	175.4	-166.3	-72.5	0	0	0	109.7	Y137 C138 F140 I268 D304 I305 K341 F342 F381 L385 Y389	Y137-F383 CarbonylContact C-O 3.58Å; Y137-F383 VanDerWaalsContact CA-O 3.27Å; Y137-F383 WeakPolarHBondContact CA-O 3.49Å; C138-F383 HydrophobicContact CB-CB 4.41Å; C138-F383 PolarHBondContact N-O 3.13Å; C138-F383 PolarHBondContact O-N 3.41Å; F140-F383 HydrophobicContact CD2-CB 3.98Å; F140-F383 HydrophobicContact CE2-CB 3.7Å; F140-F383 HydrophobicContact CE2-CG 4.32Å; I268-F383 HydrophobicContact CD1-CB 4.13Å; I268-F383 HydrophobicContact CD1-CD1 3.56Å; I268-F383 HydrophobicContact CD1-CD2 4.31Å; I268-F383 HydrophobicContact CD1-CE1 3.98Å; I268-F383 HydrophobicContact CD1-CG 3.74Å; I268-F383 HydrophobicContact CG1-CD1 4Å; I268-F383 HydrophobicContact CG1-CE1 3.88Å; I268-F383 HydrophobicContact CG1-CG 4.48Å; I268-F383 HydrophobicContact CG1-CZ 4.25Å; I268-F383 HydrophobicContact CG2-CD2 4.43Å; I268-F383 HydrophobicContact CG2-CE2 4.07Å; I268-F383 HydrophobicContact CG2-CZ 4.14Å; D304-F383 HydrophobicContact CB-CE2 4.06Å; D304-F383 HydrophobicContact CB-CZ 4.09Å; I305-F383 HydrophobicContact CD1-CD2 4.38Å; I305-F383 HydrophobicContact CG1-CE2 4.47Å; K341-F383 HydrophobicContact CB-CE2 4.35Å; K341-F383 HydrophobicContact CD-CE2 3.77Å; K341-F383 HydrophobicContact CD-CZ 3.64Å; F342-F383 AromaticContact CD2-CD2 3.85Å; F342-F383 HydrophobicContact CD2-CD2 3.85Å; F342-F383 HydrophobicContact CD2-CE2 4.05Å; F342-F383 AromaticContact CE2-CD2 3.53Å; F342-F383 HydrophobicContact CE2-CD2 3.53Å; F342-F383 AromaticContact CE2-CE2 3.94Å; F342-F383 HydrophobicContact CE2-CE2 3.94Å; F381-F383 HydrophobicContact CE2-CB 4.29Å; F381-F383 HydrophobicContact CE2-CD2 4.36Å; F383-L385 HydrophobicContact CD1-CD2 4.47Å; F383-L385 PolarHBondContact O-N 2.88Å; F383-Y389 HydrophobicContact CE1-CD1 4.21Å; F383-Y389 HydrophobicContact CE1-CD2 4.16Å; F383-Y389 AromaticContact CE1-CE1 3.77Å; F383-Y389 HydrophobicContact CE1-CE1 3.77Å; F383-Y389 AromaticContact CE1-CE2 3.71Å; F383-Y389 HydrophobicContact CE1-CE2 3.71Å; F383-Y389 HydrophobicContact CE1-CG 4.41Å; F383-Y389 AromaticContact CE1-CZ 3.5Å; F383-Y389 VanDerWaalsContact CE1-CZ 3.5Å; F383-Y389 AromaticContact CZ-CE1 3.96Å; F383-Y389 HydrophobicContact CZ-CE1 3.96Å; F383-Y389 HydrophobicContact CZ-CE2 4.24Å; F383-Y389 AromaticContact CZ-CZ 3.65Å; F383-Y389 WeakPolarHBondContact CZ-OH 3.47Å
384	K	92.6	Very high	82	Confident	125 Å²	125	63.6 Å²	63.6	54%	0.543	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	123.2	-179.3	-167.5	176.6	-179.7	-178.5	0	110.6	Y137 D386	Y137-K384 HydrophobicContact CD1-CB 3.85Å; Y137-K384 HydrophobicContact CD1-CG 4.4Å; Y137-K384 VanDerWaalsContact CD1-N 3.35Å; Y137-K384 HydrophobicContact CE1-CB 3.45Å; Y137-K384 VanDerWaalsContact CE1-CB 3.45Å; Y137-K384 HydrophobicContact CE1-CD 4.42Å; Y137-K384 HydrophobicContact CE1-CG 3.85Å; Y137-K384 HydrophobicContact CE2-CG 4.38Å; K384-D386 PolarHBondContact O-N 3.11Å
385	L	90.7	Very high	79	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.099	36%	0.362	C	S	.	.			trans	-94.3	86.2	174.3	-62.8	176.6	0	0	0	108.4	G136 C138 N266 I268 F383 Y389 Y391	G136-L385 WeakPolarHBondContact O-CB 3.29Å; G136-L385 PolarHBondContact O-N 3.38Å; C138-L385 HydrophobicContact CB-CD1 3.88Å; C138-L385 HydrophobicContact CB-CD2 4.12Å; C138-L385 HydrophobicContact CB-CG 4.03Å; N266-L385 HydrophobicContact CB-CD2 4.27Å; I268-L385 HydrophobicContact CD1-CD2 3.91Å; I268-L385 HydrophobicContact CG1-CD2 4.21Å; F383-L385 HydrophobicContact CD1-CD2 4.47Å; F383-L385 PolarHBondContact O-N 2.88Å; L385-Y389 HydrophobicContact CD2-CG 4.21Å; L385-Y391 HydrophobicContact CB-CD2 3.76Å; L385-Y391 HydrophobicContact CD1-CD2 3.33Å; L385-Y391 HydrophobicContact CD1-CE2 3.82Å; L385-Y391 HydrophobicContact CD1-CG 4.4Å; L385-Y391 HydrophobicContact CG-CD2 4.17Å
386	D	84.3	Confident	76.1	Confident	71 Å²	71	76.2 Å²	76.2	38%	0.38	37%	0.374	S	S	.	.			trans	-81.5	-173.8	170.8	64.5	34.7	0	0	0	111.6	K384 A388 Y389	K384-D386 PolarHBondContact O-N 3.11Å; D386-A388 PolarHBondContact O-N 2.91Å; D386-A388 VanDerWaalsContact O-N 3.08Å; D386-A388 VanDerWaalsContact OD1-CB 3.25Å; D386-A388 WeakPolarHBondContact OD1-CB 3.45Å; D386-A388 PolarHBondContact OD1-N 3.46Å; D386-Y389 PolarHBondContact O-N 2.91Å; D386-Y389 WeakPolarHBondContact OD1-CD2 3.38Å
387	S	77.8	Confident	73.3	Confident	132 Å²	132	80.4 Å²	80.4	92%	0.923	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.2	-177.6	55.6	0	0	0	0	114.7	Y389	S387-Y389 VanDerWaalsContact C-N 3.29Å
388	A	79.5	Confident	70.6	Confident	83 Å²	83	78.5 Å²	78.5	69%	0.686	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.8	174.8	0	0	0	0	0	112.5	D386	D386-A388 PolarHBondContact O-N 2.91Å; D386-A388 VanDerWaalsContact O-N 3.08Å; D386-A388 VanDerWaalsContact OD1-CB 3.25Å; D386-A388 WeakPolarHBondContact OD1-CB 3.45Å; D386-A388 PolarHBondContact OD1-N 3.46Å
389	Y	83.1	Confident	68	Low	29 Å²	29	82.4 Å²	82.4	11%	0.114	43%	0.425	C	S	.	.	S	Bend	trans	-107.9	145.8	-178.2	-61.9	-81.8	0	0	0	111.3	G267 I268 D304 K341 F383 L385 D386 S387 Y391	G267-Y389 WeakPolarHBondContact O-CD1 3.23Å; I268-Y389 HydrophobicContact CG1-CD1 3.8Å; I268-Y389 HydrophobicContact CG1-CE1 4.03Å; D304-Y389 PolarHBondContact OD1-OH 3.42Å; K341-Y389 PolarHBondContact NZ-OH 3.4Å; F383-Y389 HydrophobicContact CE1-CD1 4.21Å; F383-Y389 HydrophobicContact CE1-CD2 4.16Å; F383-Y389 AromaticContact CE1-CE1 3.77Å; F383-Y389 HydrophobicContact CE1-CE1 3.77Å; F383-Y389 AromaticContact CE1-CE2 3.71Å; F383-Y389 HydrophobicContact CE1-CE2 3.71Å; F383-Y389 HydrophobicContact CE1-CG 4.41Å; F383-Y389 AromaticContact CE1-CZ 3.5Å; F383-Y389 VanDerWaalsContact CE1-CZ 3.5Å; F383-Y389 AromaticContact CZ-CE1 3.96Å; F383-Y389 HydrophobicContact CZ-CE1 3.96Å; F383-Y389 HydrophobicContact CZ-CE2 4.24Å; F383-Y389 AromaticContact CZ-CZ 3.65Å; F383-Y389 WeakPolarHBondContact CZ-OH 3.47Å; L385-Y389 HydrophobicContact CD2-CG 4.21Å; D386-Y389 PolarHBondContact O-N 2.91Å; D386-Y389 WeakPolarHBondContact OD1-CD2 3.38Å; S387-Y389 VanDerWaalsContact C-N 3.29Å; Y389-Y391 PolarHBondContact O-N 2.93Å
390	K	69.3	Low	65.2	Low	151 Å²	151	86 Å²	86	66%	0.657	46%	0.455	S	S	*	.			trans	-76.3	91.9	175.9	-69.2	178	-177.4	165.8	0	109.1	N266 T392	N266-K390 PolarHBondContact O-N 2.89Å; K390-T392 PolarHBondContact O-N 3.47Å; K390-T392 VanDerWaalsContact O-N 3.1Å
391	Y	52.4	Low	62.4	Low	81 Å²	81	94.2 Å²	94.2	32%	0.318	49%	0.493	S	S	.	.			trans	-70	101.2	164.5	-164.6	-100.6	0	0	0	108.2	L385 Y389 Q393	L385-Y391 HydrophobicContact CB-CD2 3.76Å; L385-Y391 HydrophobicContact CD1-CD2 3.33Å; L385-Y391 HydrophobicContact CD1-CE2 3.82Å; L385-Y391 HydrophobicContact CD1-CG 4.4Å; L385-Y391 HydrophobicContact CG-CD2 4.17Å; Y389-Y391 PolarHBondContact O-N 2.93Å; Y391-Q393 VanDerWaalsContact C-N 3.29Å; Y391-Q393 HydrophobicContact CD1-CB 4.49Å; Y391-Q393 HydrophobicContact CD1-CG 4.18Å; Y391-Q393 PolarHBondContact O-N 2.92Å
392	T	46.8	Very low	59.4	Low	85 Å²	85	101.5 Å²	101.5	52%	0.521	53%	0.528	S	S	.	.			trans	-67.4	101.2	158	57	0	0	0	0	105.6	K390	K390-T392 PolarHBondContact O-N 3.47Å; K390-T392 VanDerWaalsContact O-N 3.1Å
393	Q	44.1	Very low	56.3	Low	149 Å²	149	107.7 Å²	107.7	70%	0.696	56%	0.557	S	S	*	*			trans	-38.7	128.8	164.7	-71.6	-98.4	-5.7	0	0	108	Y391 R395	Y391-Q393 VanDerWaalsContact C-N 3.29Å; Y391-Q393 HydrophobicContact CD1-CB 4.49Å; Y391-Q393 HydrophobicContact CD1-CG 4.18Å; Y391-Q393 PolarHBondContact O-N 2.92Å; Q393-R395 PolarHBondContact O-N 3.28Å
394	P	38.3	Very low	53.3	Low	67 Å²	67	117.6 Å²	117.6	44%	0.435	60%	0.596	S	S	.	*			trans	-51.8	122.9	164.7	-16.1	26.5	0	0	0	105.2	R396	P394-R396 VanDerWaalsContact C-N 3.26Å; P394-R396 PolarHBondContact O-N 2.94Å
395	R	30.9	Very low	50.6	Low	218 Å²	218	117.7 Å²	117.7	82%	0.823	60%	0.601	S	S	*	*			trans	-54.3	105.7	166.1	-84	-176.3	175.7	-178	-2.2	104.8	Q393 D397	Q393-R395 PolarHBondContact O-N 3.28Å; R395-D397 PolarHBondContact O-N 3.02Å
396	R	35.5	Very low	47.6	Very low	223 Å²	223	125.7 Å²	125.7	84%	0.842	64%	0.638	S	S	*	*			trans	-59.2	119.6	151.6	-71	-175.7	177.9	-177	-1.3	102.8	P394 A398	P394-R396 VanDerWaalsContact C-N 3.26Å; P394-R396 PolarHBondContact O-N 2.94Å; R396-A398 PolarHBondContact O-N 3.24Å
397	D	36.4	Very low	45	Very low	117 Å²	117	125.7 Å²	125.7	63%	0.626	66%	0.655	S	S	*	*			trans	-64.1	76.8	168.2	-75.9	-26.6	0	0	0	107.5	R395 S399 A400	R395-D397 PolarHBondContact O-N 3.02Å; D397-S399 PolarHBondContact O-N 2.91Å; D397-S399 VanDerWaalsContact O-N 3.09Å; D397-A400 PolarHBondContact O-N 3.47Å; D397-A400 VanDerWaalsContact O-N 3.14Å
398	A	40.2	Very low	42.8	Very low	60 Å²	60	124.9 Å²	124.9	50%	0.496	66%	0.656	S	S	.	*	H	α-helix	trans	-66.4	-3.4	172.7	0	0	0	0	0	111.2	R396 Q402	R396-A398 PolarHBondContact O-N 3.24Å; A398-Q402 VanDerWaalsContact O-CB 3.29Å; A398-Q402 WeakPolarHBondContact O-CB 3.3Å
399	S	42.1	Very low	40.4	Very low	83 Å²	83	124.4 Å²	124.4	58%	0.58	66%	0.66	S	S	*	*	H	α-helix	trans	-87.5	-11.8	171.4	59	0	0	0	0	114.4	D397	D397-S399 PolarHBondContact O-N 2.91Å; D397-S399 VanDerWaalsContact O-N 3.09Å
400	A	38.7	Very low	37.7	Very low	76 Å²	76	131.9 Å²	131.9	63%	0.628	70%	0.695	S	S	*	*	H	α-helix	trans	-88.9	-36.7	174.7	0	0	0	0	0	112.2	D397	D397-A400 PolarHBondContact O-N 3.47Å; D397-A400 VanDerWaalsContact O-N 3.14Å
401	E	39.4	Very low	35.8	Very low	175 Å²	175	133 Å²	133	82%	0.818	71%	0.708	S	S	*	*	H	α-helix	trans	-88.3	-19.3	-177.1	-118.7	165.3	-176.9	0	0	113.7
402	Q	33.2	Very low	34.7	Very low	156 Å²	156	134 Å²	134	73%	0.729	73%	0.726	S	S	*	*	S	Bend	trans	-103.3	3.5	-177	-140.9	143.7	11.8	0	0	114.5	A398	A398-Q402 VanDerWaalsContact O-CB 3.29Å; A398-Q402 WeakPolarHBondContact O-CB 3.3Å
403	M	30.4	Very low	34.4	Very low	157 Å²	157	135.2 Å²	135.2	77%	0.773	74%	0.736	S	S	*	*	S	Bend	trans	-91.4	-3.8	172.4	-91.8	-173.3	66.5	0	0	114.5
404	Y	32.6	Very low	33.7	Very low	213 Å²	213	136.6 Å²	136.6	84%	0.835	74%	0.742	S	S	*	*	S	Bend	trans	-109.7	2.2	179.7	-98.5	-76.8	0	0	0	115.7
405	I	36.7	Very low	33.3	Very low	126 Å²	126	140.9 Å²	140.9	65%	0.646	76%	0.761	S	S	*	*	S	Bend	trans	-137.7	85.1	178.6	-52.2	179.1	0	0	0	108.3
406	E	28.5	Very low	33.1	Very low	188 Å²	188	140 Å²	140	88%	0.879	77%	0.766	S	S	*	*	S	Bend	trans	154.1	110.9	141.8	-84	165.4	-166.1	0	0	112.7
407	G	29.2	Very low	32.8	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	76%	0.758	S	S	*	*			trans	82.7	101	158.1	0	0	0	0	0	115.8
408	A	30.5	Very low	32.3	Very low	115 Å²	115	136.3 Å²	136.3	95%	0.95	77%	0.767	S	S	*	*			cis	42	68.5	44.3	0	0	0	0	0	111.9
409	G	29.4	Very low	31.8	Very low	73 Å²	73	140 Å²	140	75%	0.753	78%	0.779	S	S	*	*			trans	-145	116.4	167	0	0	0	0	0	109.2
410	E	26.7	Very low	31.2	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.864	79%	0.787	S	S	*	*			trans	-65.4	167.5	176.9	-65.7	173.4	139.2	0	0	112.7
411	L	29.6	Very low	30.8	Very low	175 Å²	175	144 Å²	144	92%	0.916	79%	0.791	S	S	*	*			trans	101.4	134.5	166.7	-54.7	158.2	0	0	0	114.4
412	S	28.6	Very low	30.2	Very low	101 Å²	101	143 Å²	143	71%	0.706	79%	0.786	S	S	*	*			cis	-167.6	149.8	-5.6	172.1	0	0	0	0	106.1	H414	S412-H414 PolarHBondContact O-N 3.35Å; S412-H414 VanDerWaalsContact O-N 3.16Å
413	P	40.5	Very low	30	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	79%	0.788	S	S	*	*			trans	-90.3	88.9	-162	34.6	-31.4	0	0	0	112.5
414	H	29.3	Very low	29.9	Very low	177 Å²	177	144.6 Å²	144.6	82%	0.819	79%	0.789	S	S	*	*			trans	-163.9	94.3	154.1	-90.8	-66	0	0	0	107.1	S412	S412-H414 PolarHBondContact O-N 3.35Å; S412-H414 VanDerWaalsContact O-N 3.16Å
415	D	30.4	Very low	29.7	Very low	158 Å²	158	141.2 Å²	141.2	85%	0.845	79%	0.79	S	S	*	*			trans	-177.4	94.6	145.5	-88.5	-23	0	0	0	109	I417	D415-I417 PolarHBondContact O-N 2.72Å
416	E	27.2	Very low	29.3	Very low	198 Å²	198	141 Å²	141	93%	0.925	80%	0.801	S	S	*	*			trans	-71.4	102	161.7	-73.1	179.3	146.3	0	0	108.6
417	I	28.6	Very low	29.4	Very low	131 Å²	131	135.5 Å²	135.5	67%	0.672	79%	0.787	S	S	*	*			trans	-132.6	101.8	158.8	-59.6	-177.4	0	0	0	109.5	D415 N419	D415-I417 PolarHBondContact O-N 2.72Å; I417-N419 PolarHBondContact O-N 3.19Å
418	T	26.9	Very low	29.5	Very low	132 Å²	132	139.5 Å²	139.5	81%	0.81	79%	0.786	S	S	*	*			trans	-57.8	110.4	160.1	31.1	0	0	0	0	110.4
419	N	28.6	Very low	29.6	Very low	139 Å²	139	138.2 Å²	138.2	74%	0.743	78%	0.775	S	S	*	*			trans	-137.7	90.3	160.4	-92	-37.5	0	0	0	110	I417 V421	I417-N419 PolarHBondContact O-N 3.19Å; N419-V421 PolarHBondContact O-N 3.15Å; N419-V421 VanDerWaalsContact O-N 3.15Å
420	V	30.8	Very low	29.7	Very low	126 Å²	126	144.3 Å²	144.3	76%	0.764	78%	0.777	S	S	*	*			trans	-71	99.6	167.4	177.8	0	0	0	0	107.5	Q422	V420-Q422 HydrophobicContact CG1-CG 4.18Å; V420-Q422 PolarHBondContact O-N 3.5Å
421	V	28.9	Very low	30	Very low	117 Å²	117	143.8 Å²	143.8	71%	0.709	77%	0.772	S	S	*	*			trans	-74.7	92.5	172.4	180	0	0	0	0	108.5	N419 H423	N419-V421 PolarHBondContact O-N 3.15Å; N419-V421 VanDerWaalsContact O-N 3.15Å; V421-H423 PolarHBondContact O-N 2.88Å
422	Q	28.5	Very low	30.2	Very low	152 Å²	152	142.3 Å²	142.3	71%	0.71	76%	0.761	S	S	*	*			trans	-77.1	109.7	165.4	-77.6	-170.5	-16.7	0	0	109.5	V420 K424	V420-Q422 HydrophobicContact CG1-CG 4.18Å; V420-Q422 PolarHBondContact O-N 3.5Å; Q422-K424 PolarHBondContact O-N 3.38Å
423	H	29	Very low	31	Very low	166 Å²	166	141.3 Å²	141.3	77%	0.769	75%	0.754	S	S	*	*			trans	-60.6	98.7	165.2	-78.8	-85.3	0	0	0	110.2	V421	V421-H423 PolarHBondContact O-N 2.88Å
424	K	27.7	Very low	32	Very low	181 Å²	181	138.7 Å²	138.7	79%	0.787	73%	0.734	S	S	*	*			trans	-94.3	103.2	161	-80.6	-176.3	177.8	176.5	0	108.5	Q422 S426	Q422-K424 PolarHBondContact O-N 3.38Å; K424-S426 PolarHBondContact O-N 2.99Å
425	T	28.5	Very low	33.4	Very low	142 Å²	142	138.8 Å²	138.8	87%	0.871	74%	0.735	S	S	*	*			trans	-62	110.7	163.9	32.1	0	0	0	0	108.4
426	S	28.8	Very low	34.8	Very low	123 Å²	123	137.8 Å²	137.8	86%	0.86	73%	0.725	S	S	*	*			trans	-77.5	128.9	-175.8	54.5	0	0	0	0	111.3	K424	K424-S426 PolarHBondContact O-N 2.99Å
427	A	30	Very low	35.8	Very low	71 Å²	71	131.1 Å²	131.1	59%	0.587	71%	0.709	S	S	*	*			trans	-95.6	149.1	175	0	0	0	0	0	109.9
428	H	30.2	Very low	37.1	Very low	155 Å²	155	133 Å²	133	72%	0.718	71%	0.707	S	S	*	*			trans	83.3	96.4	155.7	-48.1	-18.8	0	0	0	118	Y430	H428-Y430 HydrophobicContact CB-CE2 4.23Å
429	A	33.4	Very low	37.7	Very low	88 Å²	88	131 Å²	131	73%	0.727	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-94.4	131.4	154.2	0	0	0	0	0	108.8
430	Y	31.8	Very low	38.4	Very low	202 Å²	202	126.9 Å²	126.9	79%	0.792	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-100.4	138	174.2	-80.7	-87.3	0	0	0	110.6	H428	H428-Y430 HydrophobicContact CB-CE2 4.23Å
431	F	32.9	Very low	38.8	Very low	173 Å²	173	129.8 Å²	129.8	76%	0.759	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-88.2	128.2	179.1	-65.3	-95	0	0	0	110.5
432	Q	34.3	Very low	39.1	Very low	144 Å²	144	131 Å²	131	67%	0.673	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139.6	142.3	163.6	-159.9	168.9	1.3	0	0	110.5	V440	Q432-V440 PolarHBondContact O-N 3.45Å
433	S	45.4	Very low	39.2	Very low	80 Å²	80	128.8 Å²	128.8	56%	0.559	67%	0.673	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	144.3	176.4	52.9	0	0	0	0	111.3	R438	S433-R438 WeakPolarHBondContact CA-O 3.46Å
434	D	61.8	Low	39.5	Very low	58 Å²	58	130.7 Å²	130.7	31%	0.31	68%	0.679	S	S	.	*			trans	-73.2	179.8	172.1	68.8	15.6	0	0	0	113.2	H436 G437 R438 V440	D434-H436 PolarHBondContact O-N 3.07Å; D434-H436 VanDerWaalsContact O-N 3.08Å; D434-H436 VanDerWaalsContact OD1-C 3.26Å; D434-H436 WeakPolarHBondContact OD1-CA 3.41Å; D434-H436 PolarHBondContact OD1-N 3.13Å; D434-G437 PolarHBondContact O-N 3.31Å; D434-G437 PolarHBondContact OD1-N 2.87Å; D434-R438 PolarHBondContact N-O 3.4Å; D434-R438 PolarHBondContact OD1-N 3.34Å; D434-V440 HydrophobicContact CB-CG2 3.77Å
435	E	58.7	Low	39.7	Very low	179 Å²	179	133 Å²	133	84%	0.836	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-7.4	177.3	58.2	-179.9	176.9	0	0	114.6
436	H	59.4	Low	40.3	Very low	137 Å²	137	132.6 Å²	132.6	63%	0.634	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	9.7	175	-60.6	-14.1	0	0	0	112.1	D434 R438	D434-H436 PolarHBondContact O-N 3.07Å; D434-H436 VanDerWaalsContact O-N 3.08Å; D434-H436 VanDerWaalsContact OD1-C 3.26Å; D434-H436 WeakPolarHBondContact OD1-CA 3.41Å; D434-H436 PolarHBondContact OD1-N 3.13Å; H436-R438 VanDerWaalsContact C-N 3.29Å; H436-R438 PolarHBondContact O-N 2.66Å
437	G	48.2	Very low	40.9	Very low	58 Å²	58	133.1 Å²	133.1	60%	0.598	68%	0.682	S	S	*	*	S	Bend	trans	73.6	15.4	178.2	0	0	0	0	0	114.3	D434	D434-G437 PolarHBondContact O-N 3.31Å; D434-G437 PolarHBondContact OD1-N 2.87Å
438	R	54.6	Low	41.5	Very low	169 Å²	169	136.5 Å²	136.5	64%	0.638	69%	0.688	S	S	*	*			trans	-86.9	141.7	176.6	-58.3	178.4	-178.6	178.7	1.5	110.1	S433 D434 H436 V440	S433-R438 WeakPolarHBondContact CA-O 3.46Å; D434-R438 PolarHBondContact N-O 3.4Å; D434-R438 PolarHBondContact OD1-N 3.34Å; H436-R438 VanDerWaalsContact C-N 3.29Å; H436-R438 PolarHBondContact O-N 2.66Å; R438-V440 PolarHBondContact O-N 3.46Å
439	P	39.6	Very low	42.2	Very low	91 Å²	91	135.4 Å²	135.4	59%	0.591	69%	0.686	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.4	124.6	174.9	26	-30.9	0	0	0	109.8	Y441	P439-Y441 HydrophobicContact CB-CE2 4.48Å
440	V	43.4	Very low	42.7	Very low	53 Å²	53	138.4 Å²	138.4	32%	0.321	68%	0.683	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	125.1	173.7	-179.5	0	0	0	0	109	Q432 D434 R438 F442	Q432-V440 PolarHBondContact O-N 3.45Å; D434-V440 HydrophobicContact CB-CG2 3.77Å; R438-V440 PolarHBondContact O-N 3.46Å; V440-F442 HydrophobicContact CB-CE2 4.19Å; V440-F442 HydrophobicContact CB-CZ 4.45Å; V440-F442 HydrophobicContact CG1-CD2 4.36Å; V440-F442 HydrophobicContact CG1-CE1 4.22Å; V440-F442 HydrophobicContact CG1-CE2 3.87Å; V440-F442 HydrophobicContact CG1-CZ 3.79Å
441	Y	39.5	Very low	43.4	Very low	187 Å²	187	134.1 Å²	134.1	73%	0.733	68%	0.676	S	S	*	*			trans	-92.4	111.9	178.3	-65	-92.2	0	0	0	108.9	P439	P439-Y441 HydrophobicContact CB-CE2 4.48Å
442	F	35.7	Very low	44.2	Very low	143 Å²	143	131.4 Å²	131.4	63%	0.627	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-91.1	119.1	171.5	-65	-82.1	0	0	0	109.6	V440	V440-F442 HydrophobicContact CB-CE2 4.19Å; V440-F442 HydrophobicContact CB-CZ 4.45Å; V440-F442 HydrophobicContact CG1-CD2 4.36Å; V440-F442 HydrophobicContact CG1-CE1 4.22Å; V440-F442 HydrophobicContact CG1-CE2 3.87Å; V440-F442 HydrophobicContact CG1-CZ 3.79Å
443	S	30.9	Very low	44.9	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-76.6	124.2	158.9	56.7	0	0	0	0	108	N445	S443-N445 PolarHBondContact O-N 3.03Å
444	F	34.2	Very low	44.9	Very low	206 Å²	206	134.6 Å²	134.6	90%	0.904	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-74.5	126	163.8	-97.1	-88	0	0	0	108.5
445	N	32.8	Very low	43.4	Very low	229 Å²	229	141.5 Å²	141.5	100%	1.225	71%	0.713	S	S	*	*			trans	-58.7	0	169.5	-85.5	-19	0	0	0	111.5	S443	S443-N445 PolarHBondContact O-N 3.03Å

Retrieved 445 of 445 residues in 223.6 ms (Link to these results)

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