A0A077ZFZ0_TRITR Loading...

CDK5 regulatory subunit associated protein 1

AlphaFold DB , UniProt , Accession A0A077ZFZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 459 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	25.2	Very low	31.6	Very low	233 Å²	233	81.2 Å²	81.2	100%	1.148	44%	0.44	S	S	*	.				0	94.4	0	-76.8	174.8	134.1	0	0	108.4	T3	M1-T3 PolarHBondContact O-N 3.35Å
2	T	21.1	Very low	31.7	Very low	134 Å²	134	79.3 Å²	79.3	82%	0.822	43%	0.433	S	S	*	.			trans	-69.9	95	169.8	24.4	0	0	0	0	108	L4	T2-L4 PolarHBondContact O-N 3.1Å
3	T	24	Very low	31.5	Very low	121 Å²	121	76 Å²	76	74%	0.742	42%	0.419	S	S	*	.			trans	-66.4	96.3	169.8	40.7	0	0	0	0	108.4	M1 S5	M1-T3 PolarHBondContact O-N 3.35Å; T3-S5 PolarHBondContact O-N 3.16Å; T3-S5 VanDerWaalsContact O-N 3.09Å
4	L	25	Very low	31.2	Very low	120 Å²	120	79.1 Å²	79.1	63%	0.628	44%	0.441	S	S	*	.			trans	-66.3	104.7	170.1	-89.7	119.9	0	0	0	108.9	T2 L6	T2-L4 PolarHBondContact O-N 3.1Å; L4-L6 PolarHBondContact O-N 3.41Å
5	S	27.9	Very low	30.9	Very low	74 Å²	74	78.9 Å²	78.9	52%	0.517	43%	0.431	S	S	.	.			trans	-75.4	99.8	168.2	175.8	0	0	0	0	108.4	T3	T3-S5 PolarHBondContact O-N 3.16Å; T3-S5 VanDerWaalsContact O-N 3.09Å
6	L	31	Very low	30.8	Very low	18 Å²	18	87.1 Å²	87.1	9%	0.094	45%	0.454	C	S	.	.			trans	-85.9	120.7	170	-97	147.2	0	0	0	109.3	L4 V38 L40 A51 S114	L4-L6 PolarHBondContact O-N 3.41Å; L6-V38 HydrophobicContact CB-CG1 4.43Å; L6-V38 HydrophobicContact CD1-CG1 4.27Å; L6-L40 HydrophobicContact CB-CD2 3.6Å; L6-L40 VanDerWaalsContact O-CD2 3.27Å; L6-L40 WeakPolarHBondContact O-CD2 3.21Å; L6-A51 HydrophobicContact CD2-CB 3.77Å; L6-S114 WeakPolarHBondContact CD1-OG 3.42Å
7	T	34.6	Very low	31.1	Very low	18 Å²	18	84.7 Å²	84.7	11%	0.11	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.8	-179.2	-49.6	0	0	0	0	109	T43 N50 A51	T7-T43 HydrophobicContact CG2-CG2 3.85Å; T7-T43 WeakPolarHBondContact CG2-OG1 3.38Å; T7-N50 WeakPolarHBondContact CB-OD1 3.4Å; T7-N50 VanDerWaalsContact CG2-OD1 3.25Å; T7-N50 WeakPolarHBondContact CG2-OD1 3.24Å; T7-N50 PolarHBondContact OG1-OD1 2.61Å; T7-A51 PolarHBondContact O-N 3.32Å
8	L	38.1	Very low	31.3	Very low	1 Å²	1	83.7 Å²	83.7	1%	0.005	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.1	-170.5	-152.3	92.3	0	0	0	112.7	L10 V31 L40 T41 A51 L53 L110	L8-L10 HydrophobicContact CD2-CD1 4.36Å; L8-V31 HydrophobicContact CD2-CB 4.1Å; L8-V31 HydrophobicContact CD2-CG1 3.47Å; L8-V31 VanDerWaalsContact CD2-CG1 3.47Å; L8-V31 HydrophobicContact CD2-CG2 3.52Å; L8-L40 HydrophobicContact CB-CD2 4.41Å; L8-L40 HydrophobicContact CD1-CD1 4.46Å; L8-L40 HydrophobicContact CD1-CD2 4.11Å; L8-T41 PolarHBondContact N-O 3.27Å; L8-A51 HydrophobicContact CD1-CB 4.29Å; L8-L53 HydrophobicContact CD1-CD1 3.7Å; L8-L53 HydrophobicContact CD1-CG 3.83Å; L8-L53 HydrophobicContact CD2-CD1 3.7Å; L8-L53 HydrophobicContact CD2-CG 4.21Å; L8-L53 HydrophobicContact CG-CD1 4.04Å; L8-L53 HydrophobicContact CG-CG 4.11Å; L8-L110 HydrophobicContact CD1-CD1 3.97Å
9	R	41.8	Very low	31.5	Very low	92 Å²	92	82.1 Å²	82.1	35%	0.347	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.5	171.1	-163.2	-177.6	-174.2	-176.3	2.3	111.2	L11 A51 I52 L53	R9-L11 HydrophobicContact CG-CG 4.31Å; R9-A51 PolarHBondContact N-O 3.38Å; R9-I52 HydrophobicContact CB-CG1 4.15Å; R9-L53 PolarHBondContact O-N 3.23Å; R9-L53 VanDerWaalsContact O-O 3.08Å
10	L	42.1	Very low	32	Very low	30 Å²	30	78.9 Å²	78.9	16%	0.157	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	94.6	170.9	-118	132.9	0	0	0	109.2	L8 T12 L27 I28 M55	L8-L10 HydrophobicContact CD2-CD1 4.36Å; L10-T12 HydrophobicContact CD2-CG2 3.92Å; L10-T12 PolarHBondContact O-N 2.63Å; L10-L27 HydrophobicContact CD1-CB 4.19Å; L10-L27 HydrophobicContact CD1-CD2 3.57Å; L10-L27 HydrophobicContact CD1-CG 4.3Å; L10-L27 HydrophobicContact CD2-CB 4.06Å; L10-L27 HydrophobicContact CD2-CD2 3.68Å; L10-L27 HydrophobicContact CD2-CG 4.47Å; L10-L27 HydrophobicContact CG-CD2 3.65Å; L10-I28 HydrophobicContact CD1-CG1 3.75Å; L10-M55 HydrophobicContact CD2-CG 3.55Å
11	L	36.8	Very low	32.6	Very low	52 Å²	52	76 Å²	76	27%	0.272	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	94.1	169.1	-82.8	161.5	0	0	0	107.7	R9 C13 I52 L53 L54 M55	R9-L11 HydrophobicContact CG-CG 4.31Å; L11-C13 PolarHBondContact O-N 3.16Å; L11-I52 HydrophobicContact CD1-CG2 3.87Å; L11-L53 PolarHBondContact N-O 2.99Å; L11-L54 HydrophobicContact CB-CD2 3.49Å; L11-L54 VanDerWaalsContact CB-CD2 3.49Å; L11-L54 HydrophobicContact CD1-CD2 3.84Å; L11-L54 HydrophobicContact CG-CD2 4.31Å; L11-M55 PolarHBondContact O-N 3.38Å
12	T	33.2	Very low	33.5	Very low	58 Å²	58	65.4 Å²	65.4	36%	0.356	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.5	171.7	54	0	0	0	0	109	L10 V14 M55	L10-T12 HydrophobicContact CD2-CG2 3.92Å; L10-T12 PolarHBondContact O-N 2.63Å; T12-V14 WeakPolarHBondContact O-CG2 3.48Å; T12-V14 PolarHBondContact O-N 3.44Å; T12-M55 HydrophobicContact CG2-CB 4.42Å
13	C	28.5	Very low	34.7	Very low	37 Å²	37	60.1 Å²	60.1	25%	0.25	33%	0.325	C	S	.	.			trans	-63.3	105.1	171.4	-161.7	0	0	0	0	108.5	L11 Y15 M55 I67	L11-C13 PolarHBondContact O-N 3.16Å; C13-Y15 PolarHBondContact O-N 2.94Å; C13-M55 PolarHBondContact N-O 2.65Å; C13-I67 HydrophobicContact CB-CD1 4.1Å
14	V	27.1	Very low	35.6	Very low	120 Å²	120	56.9 Å²	56.9	73%	0.727	31%	0.308	S	S	*	.			trans	-70.9	76.1	-178.9	-173.2	0	0	0	0	109.2	T12	T12-V14 WeakPolarHBondContact O-CG2 3.48Å; T12-V14 PolarHBondContact O-N 3.44Å
15	Y	27.6	Very low	36.8	Very low	75 Å²	75	52.9 Å²	52.9	29%	0.294	28%	0.284	S	S	.	.			trans	-100.9	98.2	157.5	-101.6	-86.3	0	0	0	107.5	C13 A63 K66	C13-Y15 PolarHBondContact O-N 2.94Å; Y15-A63 HydrophobicContact CD2-CB 4.32Å; Y15-A63 HydrophobicContact CE2-CB 4.14Å; Y15-K66 HydrophobicContact CE2-CD 4.16Å; Y15-K66 PolarHBondContact OH-NZ 2.81Å
16	R	28.2	Very low	37.6	Very low	210 Å²	210	49.8 Å²	49.8	79%	0.792	26%	0.262	S	S	*	.			trans	-62.4	130.4	153.2	-78.6	176.8	166.1	170.3	-3.3	106.3
17	P	36.7	Very low	38.5	Very low	47 Å²	47	49 Å²	49	31%	0.305	26%	0.258	S	S	.	.	S	Bend	cis	-116	-162.2	29.8	43.1	-27.4	0	0	0	110.7	C19 Y352	P17-C19 VanDerWaalsContact C-N 3.3Å; P17-C19 PolarHBondContact O-N 3.18Å; P17-Y352 HydrophobicContact CB-CE1 3.9Å; P17-Y352 HydrophobicContact CG-CD1 3.99Å; P17-Y352 HydrophobicContact CG-CE1 3.8Å
18	P	34.3	Very low	39.1	Very low	67 Å²	67	50.7 Å²	50.7	44%	0.435	27%	0.265	S	S	.	.			trans	-70.2	84.1	-157.2	34.9	-34.7	0	0	0	111	T20 T255	P18-T20 PolarHBondContact O-N 3.45Å; P18-T255 HydrophobicContact CG-CG2 4.44Å
19	C	35.1	Very low	39.3	Very low	53 Å²	53	50.6 Å²	50.6	36%	0.358	27%	0.265	S	S	.	.			trans	-64.2	107.7	161.6	-69.4	0	0	0	0	104.6	P17 C21	P17-C19 VanDerWaalsContact C-N 3.3Å; P17-C19 PolarHBondContact O-N 3.18Å; C19-C21 HydrophobicContact CB-CB 4.16Å; C19-C21 PolarHBondContact O-N 2.9Å
20	T	42.5	Very low	39.3	Very low	18 Å²	18	46.3 Å²	46.3	11%	0.11	25%	0.249	C	C	.	.			trans	-64.3	14.5	173.9	59.2	0	0	0	0	112.5	P18 I22 L194 G195 Q196 T255 S256	P18-T20 PolarHBondContact O-N 3.45Å; T20-I22 PolarHBondContact O-N 3.05Å; T20-L194 HydrophobicContact CG2-CD2 4.48Å; T20-G195 VanDerWaalsContact CB-O 3.25Å; T20-G195 WeakPolarHBondContact CB-O 3.48Å; T20-G195 VanDerWaalsContact CG2-O 3.22Å; T20-G195 WeakPolarHBondContact CG2-O 3.4Å; T20-G195 PolarHBondContact OG1-O 2.76Å; T20-Q196 PolarHBondContact O-NE2 2.65Å; T20-Q196 PolarHBondContact OG1-NE2 2.85Å; T20-T255 HydrophobicContact CG2-CG2 4.42Å; T20-S256 VanDerWaalsContact CG2-OG 3.28Å; T20-S256 WeakPolarHBondContact CG2-OG 3.22Å
21	C	43.1	Very low	39.6	Very low	18 Å²	18	45.1 Å²	45.1	12%	0.122	24%	0.243	C	C	.	.	S	Bend	trans	-73.1	53.1	-175.3	-61.8	0	0	0	0	112.3	C19 C57 I59 R165	C19-C21 HydrophobicContact CB-CB 4.16Å; C19-C21 PolarHBondContact O-N 2.9Å; C21-C57 PolarHBondContact SG-SG 3.02Å; C21-I59 WeakPolarHBondContact SG-CD1 3.31Å; C21-R165 PolarHBondContact O-NH2 3.24Å
22	I	45.9	Very low	39.8	Very low	11 Å²	11	45.3 Å²	45.3	6%	0.056	25%	0.247	C	C	.	.			trans	56.8	105.1	-173.1	-63.5	149	0	0	0	110.7	T20 S24 L26 P100 Y103 Y130 R165	T20-I22 PolarHBondContact O-N 3.05Å; I22-S24 PolarHBondContact O-N 3.34Å; I22-L26 HydrophobicContact CG2-CB 3.69Å; I22-L26 HydrophobicContact CG2-CD1 4.09Å; I22-P100 HydrophobicContact CD1-CB 3.72Å; I22-P100 WeakPolarHBondContact CD1-O 3.45Å; I22-Y103 HydrophobicContact CB-CE2 4.06Å; I22-Y103 HydrophobicContact CD1-CD2 4.05Å; I22-Y103 HydrophobicContact CD1-CE2 3.27Å; I22-Y103 HydrophobicContact CG1-CE2 4.16Å; I22-Y103 HydrophobicContact CG2-CD2 4.37Å; I22-Y103 HydrophobicContact CG2-CE2 3.82Å; I22-Y130 HydrophobicContact CD1-CE2 4.15Å; I22-R165 VanDerWaalsContact CD1-NH1 3.34Å
23	P	45.5	Very low	40.3	Very low	23 Å²	23	46.2 Å²	46.2	15%	0.149	25%	0.248	C	C	.	.			trans	-63.4	137.9	178.9	28.8	-36.1	0	0	0	109.6	Y25 L26 L194	P23-Y25 HydrophobicContact CB-CD1 3.49Å; P23-Y25 VanDerWaalsContact CB-CD1 3.49Å; P23-Y25 HydrophobicContact CB-CE1 3.08Å; P23-Y25 HydrophobicContact CB-CG 4.39Å; P23-Y25 HydrophobicContact CG-CD1 3.78Å; P23-Y25 HydrophobicContact CG-CD2 4.42Å; P23-Y25 HydrophobicContact CG-CE1 3Å; P23-Y25 HydrophobicContact CG-CE2 3.79Å; P23-Y25 HydrophobicContact CG-CG 4.43Å; P23-Y25 WeakPolarHBondContact CG-OH 3.49Å; P23-Y25 PolarHBondContact O-N 2.99Å; P23-L26 HydrophobicContact CG-CD1 4.21Å; P23-L26 PolarHBondContact O-N 3.18Å; P23-L194 HydrophobicContact CB-CD1 4.29Å; P23-L194 HydrophobicContact CG-CD1 3.83Å
24	S	43.4	Very low	40.9	Very low	53 Å²	53	47.7 Å²	47.7	37%	0.371	25%	0.251	S	S	.	.	H	α-helix	trans	-50.8	-21.9	-170	48.2	0	0	0	0	115.5	I22 L27 I28	I22-S24 PolarHBondContact O-N 3.34Å; S24-L27 PolarHBondContact O-N 2.67Å; S24-I28 WeakPolarHBondContact O-CG1 3.38Å; S24-I28 PolarHBondContact O-N 3.08Å
25	Y	49.6	Very low	41.3	Very low	35 Å²	35	43.2 Å²	43.2	14%	0.137	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-35	176.4	62	-106.4	0	0	0	113.1	P23 L27 I28 S29 P135 Y145	P23-Y25 HydrophobicContact CB-CD1 3.49Å; P23-Y25 VanDerWaalsContact CB-CD1 3.49Å; P23-Y25 HydrophobicContact CB-CE1 3.08Å; P23-Y25 HydrophobicContact CB-CG 4.39Å; P23-Y25 HydrophobicContact CG-CD1 3.78Å; P23-Y25 HydrophobicContact CG-CD2 4.42Å; P23-Y25 HydrophobicContact CG-CE1 3Å; P23-Y25 HydrophobicContact CG-CE2 3.79Å; P23-Y25 HydrophobicContact CG-CG 4.43Å; P23-Y25 WeakPolarHBondContact CG-OH 3.49Å; P23-Y25 PolarHBondContact O-N 2.99Å; Y25-L27 VanDerWaalsContact C-N 3.3Å; Y25-L27 PolarHBondContact O-N 3.44Å; Y25-I28 PolarHBondContact O-N 2.9Å; Y25-S29 WeakPolarHBondContact O-CB 3.19Å; Y25-S29 PolarHBondContact O-N 2.83Å; Y25-S29 PolarHBondContact O-OG 3.08Å; Y25-P135 HydrophobicContact CD2-CB 3.48Å; Y25-P135 VanDerWaalsContact CD2-CB 3.48Å; Y25-P135 HydrophobicContact CD2-CG 3.43Å; Y25-P135 VanDerWaalsContact CD2-CG 3.43Å; Y25-P135 HydrophobicContact CE2-CB 4.01Å; Y25-P135 HydrophobicContact CE2-CG 3.45Å; Y25-P135 VanDerWaalsContact CE2-CG 3.45Å; Y25-P135 HydrophobicContact CG-CB 4.28Å; Y25-Y145 AromaticContact CE1-CD2 3.95Å; Y25-Y145 HydrophobicContact CE1-CD2 3.95Å; Y25-Y145 HydrophobicContact CE1-CG 4.15Å; Y25-Y145 WeakPolarHBondContact OH-CB 3.04Å; Y25-Y145 PolarHBondContact OH-O 3.43Å
26	L	44.9	Very low	41.6	Very low	10 Å²	10	49 Å²	49	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-42.3	178.7	-98.1	148	0	0	0	109.9	I22 P23 S29 T30 Y130 I133	I22-L26 HydrophobicContact CG2-CB 3.69Å; I22-L26 HydrophobicContact CG2-CD1 4.09Å; P23-L26 HydrophobicContact CG-CD1 4.21Å; P23-L26 PolarHBondContact O-N 3.18Å; L26-S29 WeakPolarHBondContact O-CB 3.38Å; L26-S29 PolarHBondContact O-N 3.38Å; L26-S29 VanDerWaalsContact O-N 3.13Å; L26-T30 PolarHBondContact O-N 3.01Å; L26-T30 PolarHBondContact O-OG1 3.15Å; L26-Y130 HydrophobicContact CD2-CG 4.45Å; L26-I133 HydrophobicContact CD2-CB 4.27Å; L26-I133 HydrophobicContact CD2-CG2 4.06Å
27	L	49.4	Very low	41.8	Very low	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-44.1	178.8	-151.5	94.3	0	0	0	112.7	L10 S24 Y25 S29 T30 V31 M55 L81 Y103 L106	L10-L27 HydrophobicContact CD1-CB 4.19Å; L10-L27 HydrophobicContact CD1-CD2 3.57Å; L10-L27 HydrophobicContact CD1-CG 4.3Å; L10-L27 HydrophobicContact CD2-CB 4.06Å; L10-L27 HydrophobicContact CD2-CD2 3.68Å; L10-L27 HydrophobicContact CD2-CG 4.47Å; L10-L27 HydrophobicContact CG-CD2 3.65Å; S24-L27 PolarHBondContact O-N 2.67Å; Y25-L27 VanDerWaalsContact C-N 3.3Å; Y25-L27 PolarHBondContact O-N 3.44Å; L27-S29 PolarHBondContact O-N 3.43Å; L27-T30 PolarHBondContact O-N 3.37Å; L27-V31 HydrophobicContact CG-CG2 4.49Å; L27-V31 VanDerWaalsContact O-CB 3.28Å; L27-V31 WeakPolarHBondContact O-CB 3.4Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 3.16Å; L27-M55 HydrophobicContact CB-SD 4.37Å; L27-M55 HydrophobicContact CD1-CE 4.01Å; L27-M55 HydrophobicContact CD1-SD 3.54Å; L27-M55 VanDerWaalsContact CD1-SD 3.54Å; L27-M55 HydrophobicContact CD2-CG 3.95Å; L27-M55 HydrophobicContact CD2-SD 3.69Å; L27-M55 HydrophobicContact CG-SD 4.04Å; L27-L81 HydrophobicContact CD1-CD1 3.87Å; L27-L81 HydrophobicContact CD2-CD1 3.36Å; L27-L81 HydrophobicContact CG-CD1 4.23Å; L27-Y103 HydrophobicContact CD1-CD1 3.8Å; L27-Y103 HydrophobicContact CD1-CD2 3.52Å; L27-Y103 HydrophobicContact CD1-CE1 3.99Å; L27-Y103 HydrophobicContact CD1-CE2 3.68Å; L27-Y103 HydrophobicContact CD1-CG 3.58Å; L27-L106 HydrophobicContact CD1-CD1 3.98Å; L27-L106 HydrophobicContact CG-CD1 4.32Å
28	I	47.5	Very low	41.7	Very low	54 Å²	54	46.4 Å²	46.4	28%	0.277	25%	0.246	S	C	.	.	H	α-helix	trans	-53.8	-38.3	174.5	-68	167.4	0	0	0	109.4	L10 S24 Y25 T32	L10-I28 HydrophobicContact CD1-CG1 3.75Å; S24-I28 WeakPolarHBondContact O-CG1 3.38Å; S24-I28 PolarHBondContact O-N 3.08Å; Y25-I28 PolarHBondContact O-N 2.9Å; I28-T32 VanDerWaalsContact O-CB 3.28Å; I28-T32 WeakPolarHBondContact O-CB 3.26Å; I28-T32 PolarHBondContact O-N 3.01Å; I28-T32 PolarHBondContact O-OG1 2.97Å
29	S	41.6	Very low	41.7	Very low	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-79.9	-42.3	-174.3	-49.9	0	0	0	0	113.3	Y25 L26 L27 V31 T32 I33 R134 P135 V136	Y25-S29 WeakPolarHBondContact O-CB 3.19Å; Y25-S29 PolarHBondContact O-N 2.83Å; Y25-S29 PolarHBondContact O-OG 3.08Å; L26-S29 WeakPolarHBondContact O-CB 3.38Å; L26-S29 PolarHBondContact O-N 3.38Å; L26-S29 VanDerWaalsContact O-N 3.13Å; L27-S29 PolarHBondContact O-N 3.43Å; S29-V31 VanDerWaalsContact C-N 3.27Å; S29-V31 PolarHBondContact O-N 2.99Å; S29-T32 PolarHBondContact O-N 3.01Å; S29-T32 VanDerWaalsContact O-N 3.16Å; S29-I33 WeakPolarHBondContact O-CB 3.17Å; S29-I33 WeakPolarHBondContact O-CG1 3.42Å; S29-I33 PolarHBondContact O-N 3.46Å; S29-R134 WeakPolarHBondContact CB-O 3.4Å; S29-R134 PolarHBondContact OG-O 2.76Å; S29-P135 WeakPolarHBondContact OG-CA 2.91Å; S29-V136 PolarHBondContact OG-N 3.22Å
30	T	43.2	Very low	42.1	Very low	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-55.7	-48.6	170	-47.2	0	0	0	0	109.7	L26 L27 T32 I33 F34 Y103 I133	L26-T30 PolarHBondContact O-N 3.01Å; L26-T30 PolarHBondContact O-OG1 3.15Å; L27-T30 PolarHBondContact O-N 3.37Å; T30-T32 VanDerWaalsContact C-N 3.33Å; T30-T32 PolarHBondContact O-N 3.39Å; T30-I33 PolarHBondContact O-N 3.46Å; T30-F34 HydrophobicContact CG2-CD2 3.76Å; T30-F34 HydrophobicContact CG2-CE2 3.76Å; T30-F34 WeakPolarHBondContact O-CD2 3.39Å; T30-F34 PolarHBondContact O-N 3.29Å; T30-F34 VanDerWaalsContact O-N 3.11Å; T30-Y103 VanDerWaalsContact CG2-O 3.26Å; T30-Y103 WeakPolarHBondContact CG2-O 3.5Å; T30-I133 HydrophobicContact CG2-CD1 3.94Å
31	V	47.5	Very low	42	Very low	5 Å²	5	53.6 Å²	53.6	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-41.7	176.5	167.3	0	0	0	0	111.9	L8 L27 S29 S35 L40	L8-V31 HydrophobicContact CD2-CB 4.1Å; L8-V31 HydrophobicContact CD2-CG1 3.47Å; L8-V31 VanDerWaalsContact CD2-CG1 3.47Å; L8-V31 HydrophobicContact CD2-CG2 3.52Å; L27-V31 HydrophobicContact CG-CG2 4.49Å; L27-V31 VanDerWaalsContact O-CB 3.28Å; L27-V31 WeakPolarHBondContact O-CB 3.4Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 3.16Å; S29-V31 VanDerWaalsContact C-N 3.27Å; S29-V31 PolarHBondContact O-N 2.99Å; V31-S35 PolarHBondContact O-N 3.02Å; V31-L40 HydrophobicContact CG1-CB 3.73Å; V31-L40 HydrophobicContact CG1-CD1 3.72Å; V31-L40 HydrophobicContact CG1-CG 4.34Å
32	T	42	Very low	42.4	Very low	57 Å²	57	56 Å²	56	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-74	-41.1	-178.2	-54.7	0	0	0	0	112.3	I28 S29 T30 S35 V136	I28-T32 VanDerWaalsContact O-CB 3.28Å; I28-T32 WeakPolarHBondContact O-CB 3.26Å; I28-T32 PolarHBondContact O-N 3.01Å; I28-T32 PolarHBondContact O-OG1 2.97Å; S29-T32 PolarHBondContact O-N 3.01Å; S29-T32 VanDerWaalsContact O-N 3.16Å; T30-T32 VanDerWaalsContact C-N 3.33Å; T30-T32 PolarHBondContact O-N 3.39Å; T32-S35 WeakPolarHBondContact O-CB 3.37Å; T32-S35 PolarHBondContact O-N 2.93Å; T32-S35 VanDerWaalsContact O-N 3.12Å; T32-V136 HydrophobicContact CG2-CG2 4.09Å
33	I	41.8	Very low	42.3	Very low	76 Å²	76	58.7 Å²	58.7	39%	0.39	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-43.9	179.1	-70.8	165.2	0	0	0	110.3	S29 T30 S35 I133	S29-I33 WeakPolarHBondContact O-CB 3.17Å; S29-I33 WeakPolarHBondContact O-CG1 3.42Å; S29-I33 PolarHBondContact O-N 3.46Å; T30-I33 PolarHBondContact O-N 3.46Å; I33-S35 PolarHBondContact O-N 3.38Å; I33-I133 HydrophobicContact CD1-CG2 4.04Å
34	F	41.8	Very low	42.3	Very low	68 Å²	68	65.2 Å²	65.2	30%	0.298	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-77.6	0.6	177.5	-71.3	-69.7	0	0	0	113.7	T30 F36 H37 R104 P107	T30-F34 HydrophobicContact CG2-CD2 3.76Å; T30-F34 HydrophobicContact CG2-CE2 3.76Å; T30-F34 WeakPolarHBondContact O-CD2 3.39Å; T30-F34 PolarHBondContact O-N 3.29Å; T30-F34 VanDerWaalsContact O-N 3.11Å; F34-F36 PolarHBondContact O-N 2.93Å; F34-F36 VanDerWaalsContact O-N 3.08Å; F34-H37 PolarHBondContact O-N 3.47Å; F34-H37 VanDerWaalsContact O-N 3.14Å; F34-R104 HydrophobicContact CE2-CB 4.26Å; F34-R104 HydrophobicContact CE2-CG 4.34Å; F34-R104 HydrophobicContact CZ-CB 4.35Å; F34-P107 HydrophobicContact CB-CB 4.28Å; F34-P107 HydrophobicContact CB-CG 3.32Å; F34-P107 HydrophobicContact CD1-CG 4.06Å; F34-P107 HydrophobicContact CD2-CG 3.96Å; F34-P107 HydrophobicContact CG-CG 3.52Å
35	S	36.7	Very low	42.5	Very low	27 Å²	27	66.3 Å²	66.3	19%	0.189	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.1	179.7	-155.6	0	0	0	0	113.3	V31 T32 I33 H37 V38 R39 L40	V31-S35 PolarHBondContact O-N 3.02Å; T32-S35 WeakPolarHBondContact O-CB 3.37Å; T32-S35 PolarHBondContact O-N 2.93Å; T32-S35 VanDerWaalsContact O-N 3.12Å; I33-S35 PolarHBondContact O-N 3.38Å; S35-H37 VanDerWaalsContact C-N 3.26Å; S35-H37 PolarHBondContact O-N 2.93Å; S35-V38 CarbonylContact C-O 3.55Å; S35-V38 WeakPolarHBondContact CA-O 3.41Å; S35-V38 CarbonylContact O-C 3.5Å; S35-V38 VanDerWaalsContact O-C 3.26Å; S35-V38 PolarHBondContact OG-O 3.34Å; S35-R39 WeakPolarHBondContact O-CA 3.39Å; S35-R39 PolarHBondContact O-N 3.33Å; S35-R39 WeakPolarHBondContact OG-CA 3.35Å; S35-L40 PolarHBondContact OG-N 3.47Å; S35-L40 PolarHBondContact OG-O 2.89Å
36	F	32.6	Very low	42.4	Very low	195 Å²	195	68.9 Å²	68.9	86%	0.855	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-63	-27.9	174	-88.1	-83.4	0	0	0	113.9	F34	F34-F36 PolarHBondContact O-N 2.93Å; F34-F36 VanDerWaalsContact O-N 3.08Å
37	H	33.5	Very low	42.7	Very low	174 Å²	174	76.5 Å²	76.5	81%	0.806	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-26.6	176.2	-75.4	73.8	0	0	0	113.2	F34 S35	F34-H37 PolarHBondContact O-N 3.47Å; F34-H37 VanDerWaalsContact O-N 3.14Å; S35-H37 VanDerWaalsContact C-N 3.26Å; S35-H37 PolarHBondContact O-N 2.93Å
38	V	34.5	Very low	42.7	Very low	29 Å²	29	82.6 Å²	82.6	18%	0.176	42%	0.423	C	S	.	.	S	Bend	trans	-135.9	103.8	175.6	-173.7	0	0	0	0	106.8	L6 S35 L40	L6-V38 HydrophobicContact CB-CG1 4.43Å; L6-V38 HydrophobicContact CD1-CG1 4.27Å; S35-V38 CarbonylContact C-O 3.55Å; S35-V38 WeakPolarHBondContact CA-O 3.41Å; S35-V38 CarbonylContact O-C 3.5Å; S35-V38 VanDerWaalsContact O-C 3.26Å; S35-V38 PolarHBondContact OG-O 3.34Å; V38-L40 VanDerWaalsContact C-N 3.3Å; V38-L40 HydrophobicContact CB-CG 4.39Å; V38-L40 HydrophobicContact CG1-CD2 3.95Å; V38-L40 HydrophobicContact CG1-CG 4.05Å; V38-L40 WeakPolarHBondContact O-CG 3.49Å; V38-L40 PolarHBondContact O-N 2.81Å
39	R	34.3	Very low	43	Very low	194 Å²	194	86.1 Å²	86.1	73%	0.732	44%	0.443	S	S	*	.			trans	-61.3	88.5	-178.8	-71.1	-177	-178.5	-178	0.2	110.8	S35	S35-R39 WeakPolarHBondContact O-CA 3.39Å; S35-R39 PolarHBondContact O-N 3.33Å; S35-R39 WeakPolarHBondContact OG-CA 3.35Å
40	L	42	Very low	44	Very low	14 Å²	14	87 Å²	87	7%	0.073	45%	0.448	C	S	.	.			trans	-93.3	119.2	176.9	-64.9	173.3	0	0	0	108.1	L6 L8 V31 S35 V38 L110	L6-L40 HydrophobicContact CB-CD2 3.6Å; L6-L40 VanDerWaalsContact O-CD2 3.27Å; L6-L40 WeakPolarHBondContact O-CD2 3.21Å; L8-L40 HydrophobicContact CB-CD2 4.41Å; L8-L40 HydrophobicContact CD1-CD1 4.46Å; L8-L40 HydrophobicContact CD1-CD2 4.11Å; V31-L40 HydrophobicContact CG1-CB 3.73Å; V31-L40 HydrophobicContact CG1-CD1 3.72Å; V31-L40 HydrophobicContact CG1-CG 4.34Å; S35-L40 PolarHBondContact OG-N 3.47Å; S35-L40 PolarHBondContact OG-O 2.89Å; V38-L40 VanDerWaalsContact C-N 3.3Å; V38-L40 HydrophobicContact CB-CG 4.39Å; V38-L40 HydrophobicContact CG1-CD2 3.95Å; V38-L40 HydrophobicContact CG1-CG 4.05Å; V38-L40 WeakPolarHBondContact O-CG 3.49Å; V38-L40 PolarHBondContact O-N 2.81Å; L40-L110 HydrophobicContact CD1-CD1 3.95Å; L40-L110 HydrophobicContact CD2-CD1 4.43Å
41	T	41.8	Very low	45.4	Very low	82 Å²	82	87 Å²	87	50%	0.503	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-117.2	137	175.9	-14.5	0	0	0	0	109.2	L8	L8-T41 PolarHBondContact N-O 3.27Å
42	V	51.4	Low	46.7	Very low	68 Å²	68	87.1 Å²	87.1	41%	0.412	45%	0.448	S	S	.	.			trans	-83.6	114.2	174.3	-178.3	0	0	0	0	108.5
43	T	43.1	Very low	48.6	Very low	67 Å²	67	84.4 Å²	84.4	41%	0.411	43%	0.431	S	S	.	.			trans	-126.7	168.2	-177.8	71.7	0	0	0	0	113.3	T7	T7-T43 HydrophobicContact CG2-CG2 3.85Å; T7-T43 WeakPolarHBondContact CG2-OG1 3.38Å
44	E	46.9	Very low	50.4	Low	161 Å²	161	81 Å²	81	75%	0.752	41%	0.414	S	S	*	.			trans	-60.2	150.8	163.6	-70.8	-86.5	149.6	0	0	110.9	T46	E44-T46 PolarHBondContact O-N 2.93Å
45	P	45.7	Very low	52.3	Low	75 Å²	75	78.6 Å²	78.6	49%	0.487	40%	0.404	S	S	.	.			trans	-69	123.2	-178.1	24.4	-26.5	0	0	0	111.9
46	T	48.4	Very low	54.4	Low	90 Å²	90	77.6 Å²	77.6	55%	0.552	40%	0.396	S	S	*	.			trans	-129.5	165.8	171.5	56.1	0	0	0	0	110.3	E44 N48 N50	E44-T46 PolarHBondContact O-N 2.93Å; T46-N48 VanDerWaalsContact C-N 3.34Å; T46-N48 PolarHBondContact O-N 3.4Å; T46-N50 PolarHBondContact N-ND2 2.69Å; T46-N50 PolarHBondContact O-ND2 2.76Å
47	D	52.1	Low	56.6	Low	169 Å²	169	69.4 Å²	69.4	90%	0.904	36%	0.363	S	S	*	.	S	Bend	trans	-75.2	-14.4	-173.6	-84.1	-29.5	0	0	0	115.1
48	N	49.2	Very low	58.5	Low	128 Å²	128	61.1 Å²	61.1	68%	0.684	33%	0.325	S	S	*	.	S	Bend	trans	-101.1	116.3	-171	-74	-14.7	0	0	0	113	T46 N50	T46-N48 VanDerWaalsContact C-N 3.34Å; T46-N48 PolarHBondContact O-N 3.4Å; N48-N50 PolarHBondContact O-N 3.34Å; N48-N50 PolarHBondContact O-OD1 3.26Å; N48-N50 VanDerWaalsContact O-OD1 3.11Å
49	N	52.4	Low	60.2	Low	129 Å²	129	62.7 Å²	62.7	69%	0.69	33%	0.331	S	S	*	.	S	Bend	trans	57.1	41.4	162.7	-63.3	-17.4	0	0	0	117.5
50	N	64.3	Low	62	Low	19 Å²	19	56.9 Å²	56.9	10%	0.102	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.6	-179	-68.5	-14	0	0	0	112	T7 T46 N48 F76	T7-N50 WeakPolarHBondContact CB-OD1 3.4Å; T7-N50 VanDerWaalsContact CG2-OD1 3.25Å; T7-N50 WeakPolarHBondContact CG2-OD1 3.24Å; T7-N50 PolarHBondContact OG1-OD1 2.61Å; T46-N50 PolarHBondContact N-ND2 2.69Å; T46-N50 PolarHBondContact O-ND2 2.76Å; N48-N50 PolarHBondContact O-N 3.34Å; N48-N50 PolarHBondContact O-OD1 3.26Å; N48-N50 VanDerWaalsContact O-OD1 3.11Å; N50-F76 WeakPolarHBondContact O-CB 3.46Å
51	A	70.7	Confident	63.4	Low	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.8	163.8	0	0	0	0	0	109.2	L6 T7 L8 R9 T77 L110	L6-A51 HydrophobicContact CD2-CB 3.77Å; T7-A51 PolarHBondContact O-N 3.32Å; L8-A51 HydrophobicContact CD1-CB 4.29Å; R9-A51 PolarHBondContact N-O 3.38Å; A51-T77 WeakPolarHBondContact CA-O 3.15Å; A51-L110 HydrophobicContact CB-CD2 4.15Å
52	I	76.2	Confident	64.9	Low	7 Å²	7	59.9 Å²	59.9	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.9	175.4	-59.2	-158	0	0	0	109.2	R9 L11 L54 F76 T77 L78 G79	R9-I52 HydrophobicContact CB-CG1 4.15Å; L11-I52 HydrophobicContact CD1-CG2 3.87Å; I52-L54 HydrophobicContact CG2-CD2 3.68Å; I52-L54 HydrophobicContact CG2-CG 4.35Å; I52-F76 HydrophobicContact CB-CD2 4.19Å; I52-F76 HydrophobicContact CB-CE2 3.91Å; I52-F76 HydrophobicContact CD1-CD2 3.86Å; I52-F76 HydrophobicContact CD1-CE1 4.21Å; I52-F76 HydrophobicContact CD1-CE2 3.18Å; I52-F76 HydrophobicContact CD1-CZ 3.31Å; I52-F76 HydrophobicContact CG1-CD2 3.73Å; I52-F76 HydrophobicContact CG1-CE2 3.5Å; I52-F76 HydrophobicContact CG1-CZ 4.13Å; I52-T77 PolarHBondContact N-O 3.19Å; I52-L78 HydrophobicContact CB-CD1 4.31Å; I52-L78 HydrophobicContact CG2-CD1 4.29Å; I52-G79 PolarHBondContact O-N 2.94Å
53	L	81.6	Confident	65.9	Low	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.6	172.6	-58.8	-168.8	0	0	0	109.7	L8 R9 L11 L81 L96 L106 L110	L8-L53 HydrophobicContact CD1-CD1 3.7Å; L8-L53 HydrophobicContact CD1-CG 3.83Å; L8-L53 HydrophobicContact CD2-CD1 3.7Å; L8-L53 HydrophobicContact CD2-CG 4.21Å; L8-L53 HydrophobicContact CG-CD1 4.04Å; L8-L53 HydrophobicContact CG-CG 4.11Å; R9-L53 PolarHBondContact O-N 3.23Å; R9-L53 VanDerWaalsContact O-O 3.08Å; L11-L53 PolarHBondContact N-O 2.99Å; L53-L81 HydrophobicContact CB-CD1 3.76Å; L53-L81 HydrophobicContact CB-CG 4.23Å; L53-L81 HydrophobicContact CD1-CD1 3.85Å; L53-L81 HydrophobicContact CG-CD1 4.29Å; L53-L96 HydrophobicContact CD2-CD2 4.36Å; L53-L106 HydrophobicContact CD1-CD1 4.46Å; L53-L106 HydrophobicContact CD1-CD2 4.33Å; L53-L110 HydrophobicContact CD2-CD2 4.4Å
54	L	80.1	Confident	67.5	Low	5 Å²	5	54.8 Å²	54.8	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.7	175.3	-57.1	-172.2	0	0	0	109.2	L11 I52 T56 I67 V71 L78 G79 I80 L81	L11-L54 HydrophobicContact CB-CD2 3.49Å; L11-L54 VanDerWaalsContact CB-CD2 3.49Å; L11-L54 HydrophobicContact CD1-CD2 3.84Å; L11-L54 HydrophobicContact CG-CD2 4.31Å; I52-L54 HydrophobicContact CG2-CD2 3.68Å; I52-L54 HydrophobicContact CG2-CG 4.35Å; L54-T56 HydrophobicContact CB-CG2 4Å; L54-T56 WeakPolarHBondContact O-CG2 3.3Å; L54-T56 PolarHBondContact O-N 3.46Å; L54-I67 HydrophobicContact CD1-CG2 4.16Å; L54-V71 HydrophobicContact CD1-CG2 4.12Å; L54-L78 HydrophobicContact CD1-CD1 3.9Å; L54-L78 HydrophobicContact CG-CD1 3.9Å; L54-G79 PolarHBondContact N-O 3.43Å; L54-I80 HydrophobicContact CB-CD1 4.07Å; L54-I80 HydrophobicContact CD1-CD1 3.85Å; L54-I80 HydrophobicContact CG-CD1 4.33Å; L54-L81 WeakPolarHBondContact O-CB 3.39Å; L54-L81 PolarHBondContact O-N 3.4Å
55	M	80.4	Confident	69.1	Low	17 Å²	17	50.6 Å²	50.6	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.3	169.4	-74.7	-62	-71.4	0	0	109.4	L10 L11 T12 C13 L27 L81 Y103	L10-M55 HydrophobicContact CD2-CG 3.55Å; L11-M55 PolarHBondContact O-N 3.38Å; T12-M55 HydrophobicContact CG2-CB 4.42Å; C13-M55 PolarHBondContact N-O 2.65Å; L27-M55 HydrophobicContact CB-SD 4.37Å; L27-M55 HydrophobicContact CD1-CE 4.01Å; L27-M55 HydrophobicContact CD1-SD 3.54Å; L27-M55 VanDerWaalsContact CD1-SD 3.54Å; L27-M55 HydrophobicContact CD2-CG 3.95Å; L27-M55 HydrophobicContact CD2-SD 3.69Å; L27-M55 HydrophobicContact CG-SD 4.04Å; M55-L81 HydrophobicContact SD-CB 3.44Å; M55-L81 WeakPolarHBondContact SD-CB 3.26Å; M55-L81 HydrophobicContact SD-CD1 3.6Å; M55-L81 HydrophobicContact SD-CG 4.17Å; M55-Y103 HydrophobicContact CE-CE2 3.9Å; M55-Y103 WeakPolarHBondContact CE-OH 3.3Å
56	T	81.4	Confident	70.6	Confident	5 Å²	5	52 Å²	52	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.1	-171.8	72.1	0	0	0	0	112.7	L54 I67 I80 L81 C83 M84	L54-T56 HydrophobicContact CB-CG2 4Å; L54-T56 WeakPolarHBondContact O-CG2 3.3Å; L54-T56 PolarHBondContact O-N 3.46Å; T56-I67 HydrophobicContact CG2-CD1 4.33Å; T56-I67 HydrophobicContact CG2-CG1 4.13Å; T56-I67 HydrophobicContact CG2-CG2 4Å; T56-I80 HydrophobicContact CG2-CD1 4.26Å; T56-I80 HydrophobicContact CG2-CG2 3.98Å; T56-L81 WeakPolarHBondContact CA-O 3.21Å; T56-L81 WeakPolarHBondContact CB-O 3.45Å; T56-L81 PolarHBondContact N-O 3.16Å; T56-L81 PolarHBondContact OG1-O 3.43Å; T56-C83 PolarHBondContact O-N 2.98Å; T56-M84 VanDerWaalsContact CB-SD 3.53Å; T56-M84 HydrophobicContact CG2-SD 3.97Å; T56-M84 VanDerWaalsContact OG1-CB 3.24Å; T56-M84 WeakPolarHBondContact OG1-CB 3.31Å; T56-M84 WeakPolarHBondContact OG1-CG 3.46Å
57	C	77.6	Confident	72.1	Confident	24 Å²	24	48 Å²	48	16%	0.162	25%	0.249	C	C	.	.			trans	-126.8	137.4	176.2	177.4	0	0	0	0	108.3	C21 I59	C21-C57 PolarHBondContact SG-SG 3.02Å; C57-I59 VanDerWaalsContact SG-CB 3.51Å; C57-I59 WeakPolarHBondContact SG-CG1 3.1Å; C57-I59 PolarHBondContact SG-N 2.82Å; C57-I59 VanDerWaalsContact SG-N 3.37Å
58	A	75.1	Confident	73.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.			trans	-105.7	16	178.8	0	0	0	0	0	111.8	R60 E64 C83 M84 R359	A58-R60 VanDerWaalsContact C-N 3.27Å; A58-R60 PolarHBondContact O-N 3.1Å; A58-E64 WeakPolarHBondContact CA-OE1 3.48Å; A58-C83 HydrophobicContact CB-CB 3.68Å; A58-M84 HydrophobicContact CB-CG 3.97Å; A58-R359 VanDerWaalsContact O-CZ 3.3Å; A58-R359 PolarHBondContact O-NH2 3.48Å
59	I	70	Confident	74.7	Confident	61 Å²	61	44 Å²	44	31%	0.313	22%	0.216	S	C	.	.	S	Bend	trans	-68.7	-25.5	-179.4	-68.7	175	0	0	0	111.4	C21 C57 R359	C21-I59 WeakPolarHBondContact SG-CD1 3.31Å; C57-I59 VanDerWaalsContact SG-CB 3.51Å; C57-I59 WeakPolarHBondContact SG-CG1 3.1Å; C57-I59 PolarHBondContact SG-N 2.82Å; C57-I59 VanDerWaalsContact SG-N 3.37Å; I59-R359 PolarHBondContact O-NH1 3.23Å; I59-R359 PolarHBondContact O-NH2 3.31Å
60	R	71.7	Confident	75.6	Confident	72 Å²	72	44.7 Å²	44.7	27%	0.272	21%	0.209	S	C	.	.			trans	-135	136	176	-59.6	-172.4	-168.7	156.1	16	111.7	A58 S62 A63 E64 R359	A58-R60 VanDerWaalsContact C-N 3.27Å; A58-R60 PolarHBondContact O-N 3.1Å; R60-S62 VanDerWaalsContact C-N 3.28Å; R60-S62 PolarHBondContact O-N 2.73Å; R60-A63 HydrophobicContact CB-CB 4.34Å; R60-A63 WeakPolarHBondContact O-CB 3.45Å; R60-A63 PolarHBondContact O-N 2.93Å; R60-E64 PolarHBondContact O-N 3.21Å; R60-R359 VanDerWaalsContact N-NH2 3.13Å
61	Q	71.9	Confident	76.1	Confident	102 Å²	102	43.9 Å²	43.9	48%	0.477	21%	0.205	S	C	.	.	H	α-helix	trans	-58.3	-40.3	176	-174.9	173.2	9.5	0	0	112.1	A63 E64 D65	Q61-A63 PolarHBondContact O-N 3.31Å; Q61-A63 VanDerWaalsContact O-N 3.17Å; Q61-E64 WeakPolarHBondContact O-CA 3.37Å; Q61-E64 WeakPolarHBondContact O-CB 3.19Å; Q61-E64 PolarHBondContact O-N 2.75Å; Q61-D65 PolarHBondContact O-N 3.21Å
62	S	72.1	Confident	75.9	Confident	58 Å²	58	49.1 Å²	49.1	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-24.6	177	59.1	0	0	0	0	114.4	R60 K66	R60-S62 VanDerWaalsContact C-N 3.28Å; R60-S62 PolarHBondContact O-N 2.73Å; S62-K66 VanDerWaalsContact O-CG 3.32Å; S62-K66 WeakPolarHBondContact O-CG 3.32Å
63	A	74	Confident	75.1	Confident	10 Å²	10	56.1 Å²	56.1	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-75.3	-37.8	171.9	0	0	0	0	0	110.9	Y15 R60 Q61 I67	Y15-A63 HydrophobicContact CD2-CB 4.32Å; Y15-A63 HydrophobicContact CE2-CB 4.14Å; R60-A63 HydrophobicContact CB-CB 4.34Å; R60-A63 WeakPolarHBondContact O-CB 3.45Å; R60-A63 PolarHBondContact O-N 2.93Å; Q61-A63 PolarHBondContact O-N 3.31Å; Q61-A63 VanDerWaalsContact O-N 3.17Å; A63-I67 WeakPolarHBondContact O-CG1 3.07Å; A63-I67 PolarHBondContact O-N 2.91Å
64	E	76.7	Confident	74.1	Confident	17 Å²	17	60 Å²	60	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-49.5	176.8	-58.9	176.2	-144.4	0	0	111.2	A58 R60 Q61 K66 I67 W68 M84 K87 R359	A58-E64 WeakPolarHBondContact CA-OE1 3.48Å; R60-E64 PolarHBondContact O-N 3.21Å; Q61-E64 WeakPolarHBondContact O-CA 3.37Å; Q61-E64 WeakPolarHBondContact O-CB 3.19Å; Q61-E64 PolarHBondContact O-N 2.75Å; E64-K66 PolarHBondContact O-N 3.07Å; E64-I67 WeakPolarHBondContact O-CA 3.37Å; E64-I67 WeakPolarHBondContact O-CB 3.29Å; E64-I67 PolarHBondContact O-N 2.91Å; E64-W68 PolarHBondContact O-N 3.24Å; E64-M84 HydrophobicContact CB-CE 3.74Å; E64-M84 HydrophobicContact CB-SD 4.07Å; E64-M84 HydrophobicContact CG-CE 3.95Å; E64-M84 HydrophobicContact CG-CG 3.98Å; E64-M84 HydrophobicContact CG-SD 3.82Å; E64-K87 IonicContact OE1-NZ 2.72Å; E64-K87 PolarHBondContact OE1-NZ 3.04Å; E64-K87 IonicContact OE2-NZ 2.76Å; E64-K87 PolarHBondContact OE2-NZ 3.2Å; E64-R359 IonicContact OE1-NH2 3.51Å
65	D	79	Confident	73.3	Confident	74 Å²	74	72 Å²	72	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-57.5	-37.4	-179.6	-61.5	-25.9	0	0	0	112	Q61 I67 W68 K69	Q61-D65 PolarHBondContact O-N 3.21Å; D65-I67 VanDerWaalsContact C-N 3.35Å; D65-W68 PolarHBondContact O-N 3.3Å; D65-K69 WeakPolarHBondContact O-CG 3.39Å; D65-K69 PolarHBondContact O-N 3.04Å; D65-K69 VanDerWaalsContact O-N 3.09Å
66	K	78.7	Confident	72.8	Confident	105 Å²	105	74.8 Å²	74.8	46%	0.457	34%	0.338	S	S	.	.	H	α-helix	trans	-66.4	-35.4	175.8	-76	175.5	-179.3	-177	0	112.7	Y15 S62 E64 R70	Y15-K66 HydrophobicContact CE2-CD 4.16Å; Y15-K66 PolarHBondContact OH-NZ 2.81Å; S62-K66 VanDerWaalsContact O-CG 3.32Å; S62-K66 WeakPolarHBondContact O-CG 3.32Å; E64-K66 PolarHBondContact O-N 3.07Å; K66-R70 WeakPolarHBondContact O-CG 3.42Å
67	I	78.7	Confident	72.2	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-69.7	-48.2	175.2	-65.7	-60.4	0	0	0	109.4	C13 L54 T56 A63 E64 D65 K69 R70 V71 I80 M84	C13-I67 HydrophobicContact CB-CD1 4.1Å; L54-I67 HydrophobicContact CD1-CG2 4.16Å; T56-I67 HydrophobicContact CG2-CD1 4.33Å; T56-I67 HydrophobicContact CG2-CG1 4.13Å; T56-I67 HydrophobicContact CG2-CG2 4Å; A63-I67 WeakPolarHBondContact O-CG1 3.07Å; A63-I67 PolarHBondContact O-N 2.91Å; E64-I67 WeakPolarHBondContact O-CA 3.37Å; E64-I67 WeakPolarHBondContact O-CB 3.29Å; E64-I67 PolarHBondContact O-N 2.91Å; D65-I67 VanDerWaalsContact C-N 3.35Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 3.42Å; I67-R70 WeakPolarHBondContact O-CA 3.39Å; I67-R70 WeakPolarHBondContact O-CB 3.44Å; I67-R70 PolarHBondContact O-N 3.39Å; I67-V71 HydrophobicContact CG2-CG2 4.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.35Å; I67-I80 HydrophobicContact CG2-CD1 4.03Å; I67-M84 HydrophobicContact CB-CE 4.16Å; I67-M84 HydrophobicContact CB-SD 4.12Å; I67-M84 HydrophobicContact CG1-SD 4.07Å; I67-M84 HydrophobicContact CG2-CE 4.2Å; I67-M84 HydrophobicContact CG2-SD 4.33Å
68	W	78.9	Confident	72.4	Confident	45 Å²	45	75.7 Å²	75.7	17%	0.17	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-41.9	-178.2	-66	128.2	0	0	0	113.3	E64 D65 R70 V71 M84 K91 V94	E64-W68 PolarHBondContact O-N 3.24Å; D65-W68 PolarHBondContact O-N 3.3Å; W68-R70 PolarHBondContact O-N 2.65Å; W68-V71 HydrophobicContact CE3-CG2 4.48Å; W68-V71 PolarHBondContact O-N 2.97Å; W68-M84 HydrophobicContact CD2-CE 4.23Å; W68-M84 VanDerWaalsContact CE2-CE 3.46Å; W68-M84 HydrophobicContact CH2-CE 4.44Å; W68-M84 HydrophobicContact CZ2-CE 3.6Å; W68-K91 HydrophobicContact CD2-CD 4.47Å; W68-K91 HydrophobicContact CE3-CD 3.81Å; W68-K91 HydrophobicContact CE3-CG 4.27Å; W68-K91 HydrophobicContact CH2-CG 4.45Å; W68-K91 HydrophobicContact CZ3-CB 4.22Å; W68-K91 HydrophobicContact CZ3-CD 4.04Å; W68-K91 HydrophobicContact CZ3-CG 4.01Å; W68-V94 HydrophobicContact CZ3-CG2 4.35Å
69	K	76.9	Confident	72.8	Confident	167 Å²	167	75.8 Å²	75.8	73%	0.726	34%	0.344	S	S	*	.	H	α-helix	trans	-59.8	-26.2	173.6	-73.1	178.5	179.8	-173.2	0	113.8	D65 I67	D65-K69 WeakPolarHBondContact O-CG 3.39Å; D65-K69 PolarHBondContact O-N 3.04Å; D65-K69 VanDerWaalsContact O-N 3.09Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 3.42Å
70	R	71.8	Confident	73.6	Confident	144 Å²	144	72.9 Å²	72.9	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-85.4	-15	177.2	-71.3	176.5	174.4	-175.2	-2.2	113.1	K66 I67 W68 R74	K66-R70 WeakPolarHBondContact O-CG 3.42Å; I67-R70 WeakPolarHBondContact O-CA 3.39Å; I67-R70 WeakPolarHBondContact O-CB 3.44Å; I67-R70 PolarHBondContact O-N 3.39Å; W68-R70 PolarHBondContact O-N 2.65Å; R70-R74 VanDerWaalsContact O-CZ 3.22Å; R70-R74 PolarHBondContact O-NE 2.97Å; R70-R74 PolarHBondContact O-NH2 3.44Å
71	V	74.7	Confident	74.3	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-89.3	-25.3	-175	167.9	0	0	0	0	112.1	L54 I67 W68 N73 R74 L78 I80 S93 V94	L54-V71 HydrophobicContact CD1-CG2 4.12Å; I67-V71 HydrophobicContact CG2-CG2 4.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.35Å; W68-V71 HydrophobicContact CE3-CG2 4.48Å; W68-V71 PolarHBondContact O-N 2.97Å; V71-N73 VanDerWaalsContact C-N 3.27Å; V71-N73 PolarHBondContact O-N 3.3Å; V71-R74 WeakPolarHBondContact O-CG 3.34Å; V71-L78 HydrophobicContact CB-CD2 4.02Å; V71-L78 HydrophobicContact CG1-CD2 3.44Å; V71-L78 VanDerWaalsContact CG1-CD2 3.44Å; V71-L78 HydrophobicContact CG2-CD2 3.69Å; V71-I80 HydrophobicContact CG2-CD1 4.27Å; V71-S93 WeakPolarHBondContact CG1-OG 3.35Å; V71-V94 HydrophobicContact CG1-CG2 4.09Å
72	E	66.3	Low	74.9	Confident	111 Å²	111	64.6 Å²	64.6	52%	0.519	29%	0.294	S	S	.	.	S	Bend	trans	-68.8	-7.9	-166	-76.4	169.2	177.5	0	0	116.7	K91	E72-K91 IonicContact OE1-NZ 2.8Å; E72-K91 PolarHBondContact OE1-NZ 3.42Å
73	N	60.3	Low	75.3	Confident	153 Å²	153	62 Å²	62	82%	0.818	28%	0.275	S	S	*	.	S	Bend	trans	-139.7	82.2	-177.3	-75	-40.3	0	0	0	112.4	V71	V71-N73 VanDerWaalsContact C-N 3.27Å; V71-N73 PolarHBondContact O-N 3.3Å
74	R	60.3	Low	75.6	Confident	82 Å²	82	61.7 Å²	61.7	31%	0.309	27%	0.272	S	S	.	.			trans	-142.3	148.4	-174.3	-52.4	-76.7	-166.5	124.5	-2.3	112.8	R70 V71 F76	R70-R74 VanDerWaalsContact O-CZ 3.22Å; R70-R74 PolarHBondContact O-NE 2.97Å; R70-R74 PolarHBondContact O-NH2 3.44Å; V71-R74 WeakPolarHBondContact O-CG 3.34Å; R74-F76 HydrophobicContact CB-CD2 4.42Å; R74-F76 HydrophobicContact CB-CE1 4.47Å; R74-F76 HydrophobicContact CB-CE2 4.15Å; R74-F76 HydrophobicContact CB-CZ 4.27Å; R74-F76 HydrophobicContact CG-CE2 4.17Å; R74-F76 HydrophobicContact CG-CZ 4.24Å
75	R	62.3	Low	75.9	Confident	258 Å²	258	60.9 Å²	60.9	97%	0.974	27%	0.268	S	S	*	.	S	Bend	trans	-113.3	17.4	176.2	-73	-173.9	172.1	170	-2.5	113.7
76	F	69.9	Low	75.6	Confident	75 Å²	75	58.5 Å²	58.5	33%	0.329	26%	0.256	S	S	.	.	S	Bend	trans	-138.4	159	-172.9	45.4	-104.8	0	0	0	112.2	N50 I52 R74 L78	N50-F76 WeakPolarHBondContact O-CB 3.46Å; I52-F76 HydrophobicContact CB-CD2 4.19Å; I52-F76 HydrophobicContact CB-CE2 3.91Å; I52-F76 HydrophobicContact CD1-CD2 3.86Å; I52-F76 HydrophobicContact CD1-CE1 4.21Å; I52-F76 HydrophobicContact CD1-CE2 3.18Å; I52-F76 HydrophobicContact CD1-CZ 3.31Å; I52-F76 HydrophobicContact CG1-CD2 3.73Å; I52-F76 HydrophobicContact CG1-CE2 3.5Å; I52-F76 HydrophobicContact CG1-CZ 4.13Å; R74-F76 HydrophobicContact CB-CD2 4.42Å; R74-F76 HydrophobicContact CB-CE1 4.47Å; R74-F76 HydrophobicContact CB-CE2 4.15Å; R74-F76 HydrophobicContact CB-CZ 4.27Å; R74-F76 HydrophobicContact CG-CE2 4.17Å; R74-F76 HydrophobicContact CG-CZ 4.24Å; F76-L78 PolarHBondContact O-N 3.29Å
77	T	68.5	Low	75.1	Confident	48 Å²	48	56.7 Å²	56.7	29%	0.294	25%	0.248	S	C	.	.			trans	-58.2	122.1	178.6	-52.3	0	0	0	0	110.8	A51 I52 D95 C113	A51-T77 WeakPolarHBondContact CA-O 3.15Å; I52-T77 PolarHBondContact N-O 3.19Å; T77-D95 VanDerWaalsContact CA-OD2 3.26Å; T77-D95 WeakPolarHBondContact CA-OD2 3.4Å; T77-D95 HydrophobicContact CG2-CB 3.93Å; T77-C113 HydrophobicContact CG2-CB 4.14Å
78	L	81.8	Confident	74	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.6	-175.4	-179.5	69.6	0	0	0	111	I52 L54 V71 F76 V94 D95 L96	I52-L78 HydrophobicContact CB-CD1 4.31Å; I52-L78 HydrophobicContact CG2-CD1 4.29Å; L54-L78 HydrophobicContact CD1-CD1 3.9Å; L54-L78 HydrophobicContact CG-CD1 3.9Å; V71-L78 HydrophobicContact CB-CD2 4.02Å; V71-L78 HydrophobicContact CG1-CD2 3.44Å; V71-L78 VanDerWaalsContact CG1-CD2 3.44Å; V71-L78 HydrophobicContact CG2-CD2 3.69Å; F76-L78 PolarHBondContact O-N 3.29Å; L78-V94 HydrophobicContact CD2-CG2 4.05Å; L78-V94 WeakPolarHBondContact O-CG1 3.16Å; L78-D95 PolarHBondContact N-OD2 2.97Å; L78-D95 PolarHBondContact O-N 2.93Å; L78-L96 PolarHBondContact O-N 3.25Å
79	G	85.1	Confident	73.1	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.9	172.1	0	0	0	0	0	112.7	I52 L54 L96	I52-G79 PolarHBondContact O-N 2.94Å; L54-G79 PolarHBondContact N-O 3.43Å; G79-L96 CarbonylContact C-O 3.39Å; G79-L96 VanDerWaalsContact CA-O 3.25Å; G79-L96 WeakPolarHBondContact CA-O 3.39Å
80	I	85.6	Confident	72.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.7	169.8	-62.5	-66.1	0	0	0	108.8	L54 T56 I67 V71 M84 A85 V94 L96 F97 A98	L54-I80 HydrophobicContact CB-CD1 4.07Å; L54-I80 HydrophobicContact CD1-CD1 3.85Å; L54-I80 HydrophobicContact CG-CD1 4.33Å; T56-I80 HydrophobicContact CG2-CD1 4.26Å; T56-I80 HydrophobicContact CG2-CG2 3.98Å; I67-I80 HydrophobicContact CG2-CD1 4.03Å; V71-I80 HydrophobicContact CG2-CD1 4.27Å; I80-M84 HydrophobicContact CG2-CB 4.2Å; I80-A85 HydrophobicContact CG2-CB 4.37Å; I80-A85 WeakPolarHBondContact O-CB 3.39Å; I80-V94 HydrophobicContact CB-CG1 4.2Å; I80-V94 HydrophobicContact CG1-CB 4.42Å; I80-V94 HydrophobicContact CG1-CG1 3.66Å; I80-V94 HydrophobicContact CG1-CG2 3.82Å; I80-L96 PolarHBondContact N-O 2.99Å; I80-F97 HydrophobicContact CB-CD1 3.81Å; I80-F97 HydrophobicContact CB-CE1 3.83Å; I80-F97 HydrophobicContact CG1-CE1 4.09Å; I80-F97 HydrophobicContact CG2-CD1 4.22Å; I80-F97 HydrophobicContact CG2-CE1 4.25Å; I80-F97 WeakPolarHBondContact O-CA 3.27Å; I80-A98 PolarHBondContact O-N 3Å
81	L	87.4	Confident	72.2	Confident	0 Å²	0	64 Å²	64	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.9	-176.4	-52.7	-171.8	0	0	0	112.1	L27 L53 L54 M55 T56 L96 A98 Y103 L106	L27-L81 HydrophobicContact CD1-CD1 3.87Å; L27-L81 HydrophobicContact CD2-CD1 3.36Å; L27-L81 HydrophobicContact CG-CD1 4.23Å; L53-L81 HydrophobicContact CB-CD1 3.76Å; L53-L81 HydrophobicContact CB-CG 4.23Å; L53-L81 HydrophobicContact CD1-CD1 3.85Å; L53-L81 HydrophobicContact CG-CD1 4.29Å; L54-L81 WeakPolarHBondContact O-CB 3.39Å; L54-L81 PolarHBondContact O-N 3.4Å; M55-L81 HydrophobicContact SD-CB 3.44Å; M55-L81 WeakPolarHBondContact SD-CB 3.26Å; M55-L81 HydrophobicContact SD-CD1 3.6Å; M55-L81 HydrophobicContact SD-CG 4.17Å; T56-L81 WeakPolarHBondContact CA-O 3.21Å; T56-L81 WeakPolarHBondContact CB-O 3.45Å; T56-L81 PolarHBondContact N-O 3.16Å; T56-L81 PolarHBondContact OG1-O 3.43Å; L81-L96 HydrophobicContact CD2-CD2 3.63Å; L81-A98 CarbonylContact C-O 3.47Å; L81-A98 VanDerWaalsContact CA-O 3.27Å; L81-A98 WeakPolarHBondContact CA-O 3.4Å; L81-A98 HydrophobicContact CD2-CB 3.5Å; L81-A98 VanDerWaalsContact CD2-CB 3.5Å; L81-Y103 HydrophobicContact CB-CE1 4.17Å; L81-L106 HydrophobicContact CD1-CD1 4.23Å; L81-L106 HydrophobicContact CD1-CD2 4.36Å; L81-L106 HydrophobicContact CD2-CD2 3.63Å
82	G	84.6	Confident	71.9	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.6	-149.8	174.5	0	0	0	0	0	113.2	M84 A85 A98 Y103	G82-M84 VanDerWaalsContact C-N 3.31Å; G82-M84 PolarHBondContact O-N 3.39Å; G82-A85 WeakPolarHBondContact O-CB 3.47Å; G82-A85 PolarHBondContact O-N 3.41Å; G82-A85 VanDerWaalsContact O-N 3.1Å; G82-A98 PolarHBondContact N-O 3.42Å; G82-Y103 WeakPolarHBondContact CA-OH 3.47Å; G82-Y103 PolarHBondContact N-OH 3.41Å
83	C	80.4	Confident	72.4	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.014	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.7	-163.7	-58.4	0	0	0	0	113.9	T56 A58 A85 T164 R165	T56-C83 PolarHBondContact O-N 2.98Å; A58-C83 HydrophobicContact CB-CB 3.68Å; C83-A85 VanDerWaalsContact C-N 3.28Å; C83-T164 HydrophobicContact CB-CG2 4.33Å; C83-R165 PolarHBondContact SG-NE 3.26Å; C83-R165 PolarHBondContact SG-NH2 2.86Å; C83-R165 VanDerWaalsContact SG-NH2 3.38Å
84	M	80.9	Confident	73.5	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.02	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-27.3	177.1	-61.1	-179.8	54.6	0	0	111.8	T56 A58 E64 I67 W68 I80 G82 N86 K87	T56-M84 VanDerWaalsContact CB-SD 3.53Å; T56-M84 HydrophobicContact CG2-SD 3.97Å; T56-M84 VanDerWaalsContact OG1-CB 3.24Å; T56-M84 WeakPolarHBondContact OG1-CB 3.31Å; T56-M84 WeakPolarHBondContact OG1-CG 3.46Å; A58-M84 HydrophobicContact CB-CG 3.97Å; E64-M84 HydrophobicContact CB-CE 3.74Å; E64-M84 HydrophobicContact CB-SD 4.07Å; E64-M84 HydrophobicContact CG-CE 3.95Å; E64-M84 HydrophobicContact CG-CG 3.98Å; E64-M84 HydrophobicContact CG-SD 3.82Å; I67-M84 HydrophobicContact CB-CE 4.16Å; I67-M84 HydrophobicContact CB-SD 4.12Å; I67-M84 HydrophobicContact CG1-SD 4.07Å; I67-M84 HydrophobicContact CG2-CE 4.2Å; I67-M84 HydrophobicContact CG2-SD 4.33Å; W68-M84 HydrophobicContact CD2-CE 4.23Å; W68-M84 VanDerWaalsContact CE2-CE 3.46Å; W68-M84 HydrophobicContact CH2-CE 4.44Å; W68-M84 HydrophobicContact CZ2-CE 3.6Å; I80-M84 HydrophobicContact CG2-CB 4.2Å; G82-M84 VanDerWaalsContact C-N 3.31Å; G82-M84 PolarHBondContact O-N 3.39Å; M84-N86 PolarHBondContact O-N 3.38Å; M84-K87 WeakPolarHBondContact O-CB 3.35Å; M84-K87 PolarHBondContact O-N 2.89Å
85	A	81.2	Confident	74.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.9	179.6	0	0	0	0	0	111.8	I80 G82 C83 K87 F97 A98 I122	I80-A85 HydrophobicContact CG2-CB 4.37Å; I80-A85 WeakPolarHBondContact O-CB 3.39Å; G82-A85 WeakPolarHBondContact O-CB 3.47Å; G82-A85 PolarHBondContact O-N 3.41Å; G82-A85 VanDerWaalsContact O-N 3.1Å; C83-A85 VanDerWaalsContact C-N 3.28Å; A85-K87 PolarHBondContact O-N 3.1Å; A85-F97 HydrophobicContact CB-CB 4.26Å; A85-F97 HydrophobicContact CB-CD1 4.13Å; A85-A98 WeakPolarHBondContact CB-O 3.34Å; A85-I122 HydrophobicContact CB-CG2 4.27Å; A85-I122 VanDerWaalsContact O-CG2 3.26Å; A85-I122 WeakPolarHBondContact O-CG2 3.36Å
86	N	73.2	Confident	75.9	Confident	25 Å²	25	44.6 Å²	44.6	13%	0.134	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.2	177.7	-71.6	4.5	0	0	0	113.8	M84 G99 P100 I122 L124 T164	M84-N86 PolarHBondContact O-N 3.38Å; N86-G99 WeakPolarHBondContact OD1-CA 3.43Å; N86-P100 WeakPolarHBondContact ND2-CD 3.43Å; N86-I122 WeakPolarHBondContact OD1-CA 3.34Å; N86-I122 WeakPolarHBondContact OD1-CB 3.49Å; N86-I122 PolarHBondContact OD1-O 3.01Å; N86-L124 VanDerWaalsContact ND2-CD2 3.28Å; N86-L124 WeakPolarHBondContact ND2-CD2 3.38Å; N86-T164 PolarHBondContact ND2-O 2.79Å
87	K	67.7	Low	76.8	Confident	67 Å²	67	41.5 Å²	41.5	29%	0.291	21%	0.212	S	C	.	.	S	Bend	trans	-84.9	119.4	171.6	-72.2	-169.5	173.5	-179.2	0	109.2	E64 M84 A85 N89	E64-K87 IonicContact OE1-NZ 2.72Å; E64-K87 PolarHBondContact OE1-NZ 3.04Å; E64-K87 IonicContact OE2-NZ 2.76Å; E64-K87 PolarHBondContact OE2-NZ 3.2Å; M84-K87 WeakPolarHBondContact O-CB 3.35Å; M84-K87 PolarHBondContact O-N 2.89Å; A85-K87 PolarHBondContact O-N 3.1Å; K87-N89 PolarHBondContact O-N 3.48Å
88	R	56.6	Low	77.8	Confident	219 Å²	219	39.2 Å²	39.2	83%	0.826	20%	0.198	S	C	*	.	S	Bend	trans	-59.2	-2	-173.8	-69.5	-177.4	177.9	178.3	-1.4	116.8	L90	R88-L90 PolarHBondContact O-N 2.84Å
89	N	59.6	Low	78.1	Confident	135 Å²	135	39.2 Å²	39.2	72%	0.722	20%	0.198	S	C	*	.			trans	-81.2	62.4	178.4	-66.5	-10.5	0	0	0	110.5	K87 K91	K87-N89 PolarHBondContact O-N 3.48Å; N89-K91 PolarHBondContact O-N 2.96Å
90	L	63	Low	78.1	Confident	85 Å²	85	39.1 Å²	39.1	45%	0.445	20%	0.197	S	C	.	.			trans	-66.4	97.3	179.8	-60	165.6	0	0	0	108.3	R88 F97	R88-L90 PolarHBondContact O-N 2.84Å; L90-F97 HydrophobicContact CB-CE2 4.1Å; L90-F97 HydrophobicContact CB-CZ 4.15Å; L90-F97 HydrophobicContact CD2-CB 4.26Å; L90-F97 HydrophobicContact CD2-CD1 3.64Å; L90-F97 HydrophobicContact CD2-CD2 3.35Å; L90-F97 HydrophobicContact CD2-CE1 3.65Å; L90-F97 HydrophobicContact CD2-CE2 3.35Å; L90-F97 HydrophobicContact CD2-CG 3.47Å; L90-F97 VanDerWaalsContact CD2-CG 3.47Å; L90-F97 HydrophobicContact CD2-CZ 3.48Å; L90-F97 VanDerWaalsContact CD2-CZ 3.48Å; L90-F97 HydrophobicContact CG-CE2 4.3Å; L90-F97 HydrophobicContact CG-CZ 4.42Å
91	K	67.7	Low	78.1	Confident	74 Å²	74	39.7 Å²	39.7	32%	0.322	20%	0.201	S	C	.	.			trans	-62.7	140.3	172.4	-74.5	-160.1	176.2	-164	0	109.4	W68 E72 N89 S93 V94	W68-K91 HydrophobicContact CD2-CD 4.47Å; W68-K91 HydrophobicContact CE3-CD 3.81Å; W68-K91 HydrophobicContact CE3-CG 4.27Å; W68-K91 HydrophobicContact CH2-CG 4.45Å; W68-K91 HydrophobicContact CZ3-CB 4.22Å; W68-K91 HydrophobicContact CZ3-CD 4.04Å; W68-K91 HydrophobicContact CZ3-CG 4.01Å; E72-K91 IonicContact OE1-NZ 2.8Å; E72-K91 PolarHBondContact OE1-NZ 3.42Å; N89-K91 PolarHBondContact O-N 2.96Å; K91-S93 PolarHBondContact O-N 3.37Å; K91-V94 PolarHBondContact O-N 3.4Å
92	S	67.3	Low	78.1	Confident	102 Å²	102	39.9 Å²	39.9	71%	0.713	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.5	177.8	53.9	0	0	0	0	113.9	V94 K118	S92-V94 VanDerWaalsContact C-N 3.33Å; S92-K118 PolarHBondContact O-NZ 3.15Å
93	S	76.8	Confident	78.2	Confident	50 Å²	50	39.8 Å²	39.8	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.1	177.7	53.7	0	0	0	0	115.1	V71 K91	V71-S93 WeakPolarHBondContact CG1-OG 3.35Å; K91-S93 PolarHBondContact O-N 3.37Å
94	V	83.2	Confident	78.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.214	C	C	.	.			trans	-112.4	135	179.5	-178.2	0	0	0	0	109.4	W68 V71 L78 I80 K91 S92 L96 F97	W68-V94 HydrophobicContact CZ3-CG2 4.35Å; V71-V94 HydrophobicContact CG1-CG2 4.09Å; L78-V94 HydrophobicContact CD2-CG2 4.05Å; L78-V94 WeakPolarHBondContact O-CG1 3.16Å; I80-V94 HydrophobicContact CB-CG1 4.2Å; I80-V94 HydrophobicContact CG1-CB 4.42Å; I80-V94 HydrophobicContact CG1-CG1 3.66Å; I80-V94 HydrophobicContact CG1-CG2 3.82Å; K91-V94 PolarHBondContact O-N 3.4Å; S92-V94 VanDerWaalsContact C-N 3.33Å; V94-L96 VanDerWaalsContact CG1-O 3.28Å; V94-L96 WeakPolarHBondContact CG1-O 3.48Å; V94-F97 HydrophobicContact CB-CD2 4.47Å; V94-F97 HydrophobicContact CB-CE1 4.25Å; V94-F97 HydrophobicContact CB-CE2 3.51Å; V94-F97 HydrophobicContact CB-CZ 3.39Å; V94-F97 HydrophobicContact CG1-CD1 4.32Å; V94-F97 HydrophobicContact CG1-CD2 3.91Å; V94-F97 HydrophobicContact CG1-CE1 3.86Å; V94-F97 HydrophobicContact CG1-CE2 3.4Å; V94-F97 HydrophobicContact CG1-CG 4.37Å; V94-F97 HydrophobicContact CG1-CZ 3.39Å; V94-F97 HydrophobicContact CG2-CE1 4.47Å; V94-F97 HydrophobicContact CG2-CE2 4.47Å; V94-F97 HydrophobicContact CG2-CZ 3.86Å
95	D	85.6	Confident	78.7	Confident	45 Å²	45	44.4 Å²	44.4	24%	0.241	22%	0.22	C	C	.	.	S	Bend	trans	-95.3	-32	-175.4	-52.7	-64.7	0	0	0	112.3	T77 L78 C113 K118 S119	T77-D95 VanDerWaalsContact CA-OD2 3.26Å; T77-D95 WeakPolarHBondContact CA-OD2 3.4Å; T77-D95 HydrophobicContact CG2-CB 3.93Å; L78-D95 PolarHBondContact N-OD2 2.97Å; L78-D95 PolarHBondContact O-N 2.93Å; D95-C113 PolarHBondContact O-SG 2.6Å; D95-C113 VanDerWaalsContact O-SG 3.38Å; D95-K118 CarbonylContact O-C 3.52Å; D95-K118 VanDerWaalsContact O-CA 3.3Å; D95-K118 WeakPolarHBondContact O-CA 3.38Å; D95-S119 PolarHBondContact O-N 3.4Å
96	L	88.8	Confident	79	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.7	-175.1	-177.1	153.6	0	0	0	111.8	L53 L78 G79 I80 L81 V94 A98 L106 L109 L110 S119	L53-L96 HydrophobicContact CD2-CD2 4.36Å; L78-L96 PolarHBondContact O-N 3.25Å; G79-L96 CarbonylContact C-O 3.39Å; G79-L96 VanDerWaalsContact CA-O 3.25Å; G79-L96 WeakPolarHBondContact CA-O 3.39Å; I80-L96 PolarHBondContact N-O 2.99Å; L81-L96 HydrophobicContact CD2-CD2 3.63Å; V94-L96 VanDerWaalsContact CG1-O 3.28Å; V94-L96 WeakPolarHBondContact CG1-O 3.48Å; L96-A98 HydrophobicContact CD2-CB 4.28Å; L96-L106 HydrophobicContact CD2-CD2 3.98Å; L96-L109 HydrophobicContact CD1-CB 3.5Å; L96-L109 VanDerWaalsContact CD1-CB 3.5Å; L96-L109 HydrophobicContact CG-CB 4.07Å; L96-L110 HydrophobicContact CD1-CD2 3.88Å; L96-L110 HydrophobicContact CD1-CG 3.99Å; L96-S119 CarbonylContact C-O 3.53Å; L96-S119 VanDerWaalsContact CA-O 3.29Å; L96-S119 WeakPolarHBondContact CA-O 3.46Å
97	F	88.7	Confident	79.6	Confident	11 Å²	11	44.4 Å²	44.4	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.5	168.9	-69.7	-90	0	0	0	110.8	I80 A85 L90 V94 S119 A120 N121 I122	I80-F97 HydrophobicContact CB-CD1 3.81Å; I80-F97 HydrophobicContact CB-CE1 3.83Å; I80-F97 HydrophobicContact CG1-CE1 4.09Å; I80-F97 HydrophobicContact CG2-CD1 4.22Å; I80-F97 HydrophobicContact CG2-CE1 4.25Å; I80-F97 WeakPolarHBondContact O-CA 3.27Å; A85-F97 HydrophobicContact CB-CB 4.26Å; A85-F97 HydrophobicContact CB-CD1 4.13Å; L90-F97 HydrophobicContact CB-CE2 4.1Å; L90-F97 HydrophobicContact CB-CZ 4.15Å; L90-F97 HydrophobicContact CD2-CB 4.26Å; L90-F97 HydrophobicContact CD2-CD1 3.64Å; L90-F97 HydrophobicContact CD2-CD2 3.35Å; L90-F97 HydrophobicContact CD2-CE1 3.65Å; L90-F97 HydrophobicContact CD2-CE2 3.35Å; L90-F97 HydrophobicContact CD2-CG 3.47Å; L90-F97 VanDerWaalsContact CD2-CG 3.47Å; L90-F97 HydrophobicContact CD2-CZ 3.48Å; L90-F97 VanDerWaalsContact CD2-CZ 3.48Å; L90-F97 HydrophobicContact CG-CE2 4.3Å; L90-F97 HydrophobicContact CG-CZ 4.42Å; V94-F97 HydrophobicContact CB-CD2 4.47Å; V94-F97 HydrophobicContact CB-CE1 4.25Å; V94-F97 HydrophobicContact CB-CE2 3.51Å; V94-F97 HydrophobicContact CB-CZ 3.39Å; V94-F97 HydrophobicContact CG1-CD1 4.32Å; V94-F97 HydrophobicContact CG1-CD2 3.91Å; V94-F97 HydrophobicContact CG1-CE1 3.86Å; V94-F97 HydrophobicContact CG1-CE2 3.4Å; V94-F97 HydrophobicContact CG1-CG 4.37Å; V94-F97 HydrophobicContact CG1-CZ 3.39Å; V94-F97 HydrophobicContact CG2-CE1 4.47Å; V94-F97 HydrophobicContact CG2-CE2 4.47Å; V94-F97 HydrophobicContact CG2-CZ 3.86Å; F97-S119 PolarHBondContact N-O 3.38Å; F97-A120 HydrophobicContact CB-CB 4.03Å; F97-A120 CarbonylContact O-C 3.58Å; F97-A120 VanDerWaalsContact O-CA 3.26Å; F97-A120 WeakPolarHBondContact O-CA 3.27Å; F97-N121 PolarHBondContact O-N 2.97Å; F97-I122 HydrophobicContact CB-CG2 4.17Å
98	A	89.1	Confident	80.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.1	170.1	0	0	0	0	0	110.9	I80 L81 G82 A85 L96 A102 Y103 L106 L109 N121	I80-A98 PolarHBondContact O-N 3Å; L81-A98 CarbonylContact C-O 3.47Å; L81-A98 VanDerWaalsContact CA-O 3.27Å; L81-A98 WeakPolarHBondContact CA-O 3.4Å; L81-A98 HydrophobicContact CD2-CB 3.5Å; L81-A98 VanDerWaalsContact CD2-CB 3.5Å; G82-A98 PolarHBondContact N-O 3.42Å; A85-A98 WeakPolarHBondContact CB-O 3.34Å; L96-A98 HydrophobicContact CD2-CB 4.28Å; A98-A102 HydrophobicContact CB-CB 4.2Å; A98-Y103 HydrophobicContact CB-CD1 4.47Å; A98-L106 HydrophobicContact CB-CD2 3.7Å; A98-L106 HydrophobicContact CB-CG 4.45Å; A98-L109 HydrophobicContact CB-CD1 3.91Å; A98-N121 CarbonylContact C-O 3.59Å; A98-N121 WeakPolarHBondContact CA-O 3.37Å
99	G	87.8	Confident	82.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.			trans	-59.3	164.9	169	0	0	0	0	0	111.2	N86 D101 A102 Y103 N121	N86-G99 WeakPolarHBondContact OD1-CA 3.43Å; G99-D101 PolarHBondContact O-N 3.31Å; G99-D101 VanDerWaalsContact O-N 3.07Å; G99-A102 PolarHBondContact O-N 2.78Å; G99-Y103 WeakPolarHBondContact O-CD1 3.31Å; G99-Y103 VanDerWaalsContact O-CE1 3.25Å; G99-Y103 WeakPolarHBondContact O-CE1 3.29Å; G99-N121 PolarHBondContact N-O 2.88Å
100	P	84.3	Confident	83.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.7	-176.6	27.9	-33.6	0	0	0	113.9	I22 N86 Y130 R150 T164	I22-P100 HydrophobicContact CD1-CB 3.72Å; I22-P100 WeakPolarHBondContact CD1-O 3.45Å; N86-P100 WeakPolarHBondContact ND2-CD 3.43Å; P100-Y130 PolarHBondContact O-OH 3.07Å; P100-R150 VanDerWaalsContact C-NH2 3.35Å; P100-R150 PolarHBondContact O-NH1 2.79Å; P100-R150 PolarHBondContact O-NH2 3.26Å; P100-T164 WeakPolarHBondContact CG-O 2.98Å
101	D	87	Confident	84.4	Confident	12 Å²	12	29.6 Å²	29.6	6%	0.064	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.4	176.2	-64.4	-24.9	0	0	0	113.6	G99 L124 S125 E128 R150 R169	G99-D101 PolarHBondContact O-N 3.31Å; G99-D101 VanDerWaalsContact O-N 3.07Å; D101-L124 WeakPolarHBondContact OD2-CA 3.45Å; D101-L124 WeakPolarHBondContact OD2-CD2 3.23Å; D101-S125 PolarHBondContact OD2-N 3.37Å; D101-E128 HydrophobicContact CB-CB 4.45Å; D101-R150 IonicContact OD1-CZ 3.11Å; D101-R150 IonicContact OD1-NH1 3.68Å; D101-R150 PolarHBondContact OD1-NH1 2.77Å; D101-R150 IonicContact OD1-NH2 3.86Å; D101-R150 PolarHBondContact OD1-NH2 2.65Å; D101-R169 IonicContact OD1-CZ 3.49Å; D101-R169 IonicContact OD1-NH2 2.65Å; D101-R169 PolarHBondContact OD1-NH2 3.45Å; D101-R169 IonicContact OD2-NH2 3.51Å; D101-R169 PolarHBondContact OD2-NH2 2.82Å
102	A	87.6	Confident	85.3	Confident	3 Å²	3	27.9 Å²	27.9	3%	0.025	16%	0.156	C	C	.	.			trans	-105.7	14.6	-173.3	0	0	0	0	0	113.3	A98 G99 R104 D105 N121	A98-A102 HydrophobicContact CB-CB 4.2Å; G99-A102 PolarHBondContact O-N 2.78Å; A102-R104 VanDerWaalsContact C-N 3.29Å; A102-R104 PolarHBondContact O-N 2.88Å; A102-D105 VanDerWaalsContact O-CB 3.31Å; A102-D105 WeakPolarHBondContact O-CB 3.43Å; A102-D105 PolarHBondContact O-N 2.98Å; A102-N121 HydrophobicContact CB-CB 3.71Å; A102-N121 WeakPolarHBondContact CB-O 3.36Å
103	Y	85.3	Confident	86.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-67.2	-30.2	-173.4	-61.5	-19.7	0	0	0	113.3	I22 L27 T30 M55 L81 G82 A98 G99 D105 L106 Y130	I22-Y103 HydrophobicContact CB-CE2 4.06Å; I22-Y103 HydrophobicContact CD1-CD2 4.05Å; I22-Y103 HydrophobicContact CD1-CE2 3.27Å; I22-Y103 HydrophobicContact CG1-CE2 4.16Å; I22-Y103 HydrophobicContact CG2-CD2 4.37Å; I22-Y103 HydrophobicContact CG2-CE2 3.82Å; L27-Y103 HydrophobicContact CD1-CD1 3.8Å; L27-Y103 HydrophobicContact CD1-CD2 3.52Å; L27-Y103 HydrophobicContact CD1-CE1 3.99Å; L27-Y103 HydrophobicContact CD1-CE2 3.68Å; L27-Y103 HydrophobicContact CD1-CG 3.58Å; T30-Y103 VanDerWaalsContact CG2-O 3.26Å; T30-Y103 WeakPolarHBondContact CG2-O 3.5Å; M55-Y103 HydrophobicContact CE-CE2 3.9Å; M55-Y103 WeakPolarHBondContact CE-OH 3.3Å; L81-Y103 HydrophobicContact CB-CE1 4.17Å; G82-Y103 WeakPolarHBondContact CA-OH 3.47Å; G82-Y103 PolarHBondContact N-OH 3.41Å; A98-Y103 HydrophobicContact CB-CD1 4.47Å; G99-Y103 WeakPolarHBondContact O-CD1 3.31Å; G99-Y103 VanDerWaalsContact O-CE1 3.25Å; G99-Y103 WeakPolarHBondContact O-CE1 3.29Å; Y103-D105 PolarHBondContact O-N 3.22Å; Y103-L106 HydrophobicContact CD1-CD1 4.39Å; Y103-L106 VanDerWaalsContact O-CB 3.28Å; Y103-L106 WeakPolarHBondContact O-CB 3.29Å; Y103-L106 WeakPolarHBondContact O-CD1 3.24Å; Y103-L106 VanDerWaalsContact O-CG 3.24Å; Y103-L106 WeakPolarHBondContact O-CG 3.28Å; Y103-L106 PolarHBondContact O-N 2.83Å; Y103-Y130 VanDerWaalsContact CB-OH 3.27Å; Y103-Y130 WeakPolarHBondContact CB-OH 3.41Å; Y103-Y130 HydrophobicContact CD2-CE2 4.04Å; Y103-Y130 AromaticContact CD2-CZ 3.84Å; Y103-Y130 WeakPolarHBondContact CD2-OH 3.38Å; Y103-Y130 VanDerWaalsContact CG-OH 3.29Å; Y103-Y130 PolarHBondContact N-OH 3.34Å
104	R	85.2	Confident	86.2	Confident	72 Å²	72	24 Å²	24	27%	0.272	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-63.8	-26.3	171.4	-67.1	-176.7	-160.1	-127.1	0.8	113.4	F34 A102 L106 P107 E128 Y130 D132 I133	F34-R104 HydrophobicContact CE2-CB 4.26Å; F34-R104 HydrophobicContact CE2-CG 4.34Å; F34-R104 HydrophobicContact CZ-CB 4.35Å; A102-R104 VanDerWaalsContact C-N 3.29Å; A102-R104 PolarHBondContact O-N 2.88Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-P107 WeakPolarHBondContact O-CD 3.47Å; R104-E128 VanDerWaalsContact CD-OE2 3.3Å; R104-E128 WeakPolarHBondContact CD-OE2 3.18Å; R104-E128 IonicContact CZ-OE1 3.96Å; R104-E128 IonicContact CZ-OE2 3.3Å; R104-E128 IonicContact NE-OE1 3.15Å; R104-E128 PolarHBondContact NE-OE1 3.4Å; R104-E128 IonicContact NE-OE2 3.98Å; R104-E128 PolarHBondContact NE-OE2 3.35Å; R104-E128 IonicContact NH2-OE1 3.51Å; R104-E128 PolarHBondContact NH2-OE1 3.08Å; R104-E128 IonicContact NH2-OE2 2.77Å; R104-Y130 HydrophobicContact CG-CD1 4.41Å; R104-Y130 HydrophobicContact CG-CE1 4.17Å; R104-D132 IonicContact CZ-OD1 2.63Å; R104-D132 IonicContact CZ-OD2 2.98Å; R104-D132 IonicContact NH1-OD1 3.61Å; R104-D132 PolarHBondContact NH1-OD1 2.81Å; R104-D132 IonicContact NH1-OD2 2.72Å; R104-D132 PolarHBondContact NH1-OD2 3.46Å; R104-D132 IonicContact NH2-OD1 2.69Å; R104-D132 PolarHBondContact NH2-OD1 2.89Å; R104-D132 IonicContact NH2-OD2 3.5Å; R104-I133 HydrophobicContact CG-CD1 3.83Å
105	D	87.4	Confident	86.1	Confident	31 Å²	31	27.9 Å²	27.9	17%	0.166	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-84.2	-6.6	-177.7	-161.1	31.6	0	0	0	112.2	A102 Y103 P107 R108 L109 N121	A102-D105 VanDerWaalsContact O-CB 3.31Å; A102-D105 WeakPolarHBondContact O-CB 3.43Å; A102-D105 PolarHBondContact O-N 2.98Å; Y103-D105 PolarHBondContact O-N 3.22Å; D105-P107 VanDerWaalsContact C-CD 3.4Å; D105-R108 PolarHBondContact O-N 3.32Å; D105-R108 VanDerWaalsContact O-N 3.1Å; D105-R108 WeakPolarHBondContact OD1-CB 3.3Å; D105-R108 IonicContact OD1-CZ 3.24Å; D105-R108 IonicContact OD1-NE 2.73Å; D105-R108 PolarHBondContact OD1-NE 3.26Å; D105-R108 IonicContact OD1-NH2 2.8Å; D105-R108 PolarHBondContact OD1-NH2 3.23Å; D105-R108 IonicContact OD2-CZ 2.7Å; D105-R108 IonicContact OD2-NE 3.31Å; D105-R108 IonicContact OD2-NH2 3.98Å; D105-R108 PolarHBondContact OD2-NH2 3.2Å; D105-L109 HydrophobicContact CB-CD1 4.44Å; D105-L109 VanDerWaalsContact O-CG 3.32Å; D105-L109 WeakPolarHBondContact O-CG 3.27Å; D105-L109 PolarHBondContact O-N 2.86Å; D105-N121 WeakPolarHBondContact OD2-CB 3.36Å; D105-N121 PolarHBondContact OD2-ND2 2.88Å
106	L	87.9	Confident	85.9	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-51.8	-43.2	179.4	-75.6	171.9	0	0	0	114.5	L27 L53 L81 L96 A98 Y103 R104 R108 L109 L110	L27-L106 HydrophobicContact CD1-CD1 3.98Å; L27-L106 HydrophobicContact CG-CD1 4.32Å; L53-L106 HydrophobicContact CD1-CD1 4.46Å; L53-L106 HydrophobicContact CD1-CD2 4.33Å; L81-L106 HydrophobicContact CD1-CD1 4.23Å; L81-L106 HydrophobicContact CD1-CD2 4.36Å; L81-L106 HydrophobicContact CD2-CD2 3.63Å; L96-L106 HydrophobicContact CD2-CD2 3.98Å; A98-L106 HydrophobicContact CB-CD2 3.7Å; A98-L106 HydrophobicContact CB-CG 4.45Å; Y103-L106 HydrophobicContact CD1-CD1 4.39Å; Y103-L106 VanDerWaalsContact O-CB 3.28Å; Y103-L106 WeakPolarHBondContact O-CB 3.29Å; Y103-L106 WeakPolarHBondContact O-CD1 3.24Å; Y103-L106 VanDerWaalsContact O-CG 3.24Å; Y103-L106 WeakPolarHBondContact O-CG 3.28Å; Y103-L106 PolarHBondContact O-N 2.83Å; R104-L106 VanDerWaalsContact C-N 3.27Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.05Å; L106-L109 PolarHBondContact O-N 2.84Å; L106-L110 WeakPolarHBondContact O-CB 3.28Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.29Å; L106-L110 PolarHBondContact O-N 2.77Å
107	P	85.4	Confident	85.8	Confident	21 Å²	21	35.1 Å²	35.1	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-44	177.7	-22	33.7	0	0	0	112.2	F34 R104 D105 L110 A111	F34-P107 HydrophobicContact CB-CB 4.28Å; F34-P107 HydrophobicContact CB-CG 3.32Å; F34-P107 HydrophobicContact CD1-CG 4.06Å; F34-P107 HydrophobicContact CD2-CG 3.96Å; F34-P107 HydrophobicContact CG-CG 3.52Å; R104-P107 WeakPolarHBondContact O-CD 3.47Å; D105-P107 VanDerWaalsContact C-CD 3.4Å; P107-L110 PolarHBondContact O-N 2.99Å; P107-A111 WeakPolarHBondContact O-CB 3.36Å; P107-A111 PolarHBondContact O-N 3.46Å
108	R	88.6	Confident	85.7	Confident	133 Å²	133	40.2 Å²	40.2	50%	0.502	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-45.1	176.7	-171.8	-171.9	67.3	83.7	2.1	110.9	D105 L106 L110 A111 V112	D105-R108 PolarHBondContact O-N 3.32Å; D105-R108 VanDerWaalsContact O-N 3.1Å; D105-R108 WeakPolarHBondContact OD1-CB 3.3Å; D105-R108 IonicContact OD1-CZ 3.24Å; D105-R108 IonicContact OD1-NE 2.73Å; D105-R108 PolarHBondContact OD1-NE 3.26Å; D105-R108 IonicContact OD1-NH2 2.8Å; D105-R108 PolarHBondContact OD1-NH2 3.23Å; D105-R108 IonicContact OD2-CZ 2.7Å; D105-R108 IonicContact OD2-NE 3.31Å; D105-R108 IonicContact OD2-NH2 3.98Å; D105-R108 PolarHBondContact OD2-NH2 3.2Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.05Å; R108-L110 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 2.89Å; R108-A111 PolarHBondContact O-N 2.98Å; R108-V112 WeakPolarHBondContact O-CG2 3.47Å; R108-V112 PolarHBondContact O-N 2.77Å
109	L	88.2	Confident	85.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-41.1	178.6	-66.5	174.1	0	0	0	112.1	L96 A98 D105 L106 V112 C113 S119 N121	L96-L109 HydrophobicContact CD1-CB 3.5Å; L96-L109 VanDerWaalsContact CD1-CB 3.5Å; L96-L109 HydrophobicContact CG-CB 4.07Å; A98-L109 HydrophobicContact CB-CD1 3.91Å; D105-L109 HydrophobicContact CB-CD1 4.44Å; D105-L109 VanDerWaalsContact O-CG 3.32Å; D105-L109 WeakPolarHBondContact O-CG 3.27Å; D105-L109 PolarHBondContact O-N 2.86Å; L106-L109 PolarHBondContact O-N 2.84Å; L109-V112 PolarHBondContact O-N 3.22Å; L109-C113 PolarHBondContact O-N 3.43Å; L109-C113 PolarHBondContact O-SG 3.06Å; L109-C113 VanDerWaalsContact O-SG 3.36Å; L109-S119 WeakPolarHBondContact CB-OG 3.23Å; L109-S119 PolarHBondContact O-OG 2.77Å; L109-N121 HydrophobicContact CD1-CB 4.06Å; L109-N121 HydrophobicContact CD2-CB 4.19Å
110	L	86.1	Confident	85.7	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-38.5	176.1	-74.4	168.8	0	0	0	112.1	L8 L40 A51 L53 L96 L106 P107 R108 V112 C113 S114	L8-L110 HydrophobicContact CD1-CD1 3.97Å; L40-L110 HydrophobicContact CD1-CD1 3.95Å; L40-L110 HydrophobicContact CD2-CD1 4.43Å; A51-L110 HydrophobicContact CB-CD2 4.15Å; L53-L110 HydrophobicContact CD2-CD2 4.4Å; L96-L110 HydrophobicContact CD1-CD2 3.88Å; L96-L110 HydrophobicContact CD1-CG 3.99Å; L106-L110 WeakPolarHBondContact O-CB 3.28Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.29Å; L106-L110 PolarHBondContact O-N 2.77Å; P107-L110 PolarHBondContact O-N 2.99Å; R108-L110 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 2.89Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-V112 PolarHBondContact O-N 2.91Å; L110-C113 PolarHBondContact O-N 2.88Å; L110-S114 PolarHBondContact O-N 3.04Å; L110-S114 PolarHBondContact O-OG 3.38Å
111	A	85.4	Confident	85.8	Confident	58 Å²	58	45.2 Å²	45.2	48%	0.479	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-42.9	175	0	0	0	0	0	111.5	P107 R108 S114	P107-A111 WeakPolarHBondContact O-CB 3.36Å; P107-A111 PolarHBondContact O-N 3.46Å; R108-A111 PolarHBondContact O-N 2.98Å; A111-S114 WeakPolarHBondContact O-CB 3.42Å; A111-S114 PolarHBondContact O-N 3.24Å
112	V	85.8	Confident	85.7	Confident	39 Å²	39	47 Å²	47	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-41.1	173.7	175.1	0	0	0	0	111.5	R108 L109 L110 S114 S115 Q117	R108-V112 WeakPolarHBondContact O-CG2 3.47Å; R108-V112 PolarHBondContact O-N 2.77Å; L109-V112 PolarHBondContact O-N 3.22Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-V112 PolarHBondContact O-N 2.91Å; V112-S114 PolarHBondContact O-N 2.93Å; V112-S115 PolarHBondContact O-N 3.44Å; V112-S115 PolarHBondContact O-OG 2.7Å; V112-Q117 HydrophobicContact CG1-CB 3.82Å; V112-Q117 PolarHBondContact O-N 3.33Å
113	C	84.1	Confident	85.5	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.081	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-27.8	175.9	-69.6	0	0	0	0	113.8	T77 D95 L109 L110 S115 G116 Q117 S119	T77-C113 HydrophobicContact CG2-CB 4.14Å; D95-C113 PolarHBondContact O-SG 2.6Å; D95-C113 VanDerWaalsContact O-SG 3.38Å; L109-C113 PolarHBondContact O-N 3.43Å; L109-C113 PolarHBondContact O-SG 3.06Å; L109-C113 VanDerWaalsContact O-SG 3.36Å; L110-C113 PolarHBondContact O-N 2.88Å; C113-S115 PolarHBondContact O-N 3.23Å; C113-G116 PolarHBondContact O-N 3.45Å; C113-G116 VanDerWaalsContact O-N 3.11Å; C113-Q117 VanDerWaalsContact CA-O 3.25Å; C113-Q117 WeakPolarHBondContact CA-O 3.26Å; C113-S119 PolarHBondContact SG-OG 3.43Å
114	S	79.6	Confident	85.4	Confident	57 Å²	57	55.8 Å²	55.8	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-68.7	-23.2	177.3	-53.5	0	0	0	0	112.7	L6 L110 A111 V112 G116	L6-S114 WeakPolarHBondContact CD1-OG 3.42Å; L110-S114 PolarHBondContact O-N 3.04Å; L110-S114 PolarHBondContact O-OG 3.38Å; A111-S114 WeakPolarHBondContact O-CB 3.42Å; A111-S114 PolarHBondContact O-N 3.24Å; V112-S114 PolarHBondContact O-N 2.93Å; S114-G116 PolarHBondContact O-N 3.4Å
115	S	80.9	Confident	85.2	Confident	83 Å²	83	54.3 Å²	54.3	58%	0.58	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	10.9	173.5	72.3	0	0	0	0	113.3	V112 C113 Q117	V112-S115 PolarHBondContact O-N 3.44Å; V112-S115 PolarHBondContact O-OG 2.7Å; C113-S115 PolarHBondContact O-N 3.23Å; S115-Q117 VanDerWaalsContact C-N 3.28Å; S115-Q117 PolarHBondContact O-N 2.8Å
116	G	81.1	Confident	84.9	Confident	73 Å²	73	57.2 Å²	57.2	75%	0.753	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	3.8	-178.7	0	0	0	0	0	114.8	C113 S114	C113-G116 PolarHBondContact O-N 3.45Å; C113-G116 VanDerWaalsContact O-N 3.11Å; S114-G116 PolarHBondContact O-N 3.4Å
117	Q	86.2	Confident	84.6	Confident	126 Å²	126	63.6 Å²	63.6	59%	0.589	38%	0.376	S	S	*	.			trans	-91	146.3	177.4	-69.8	-173.3	-30	0	0	111.5	V112 C113 S115	V112-Q117 HydrophobicContact CG1-CB 3.82Å; V112-Q117 PolarHBondContact O-N 3.33Å; C113-Q117 VanDerWaalsContact CA-O 3.25Å; C113-Q117 WeakPolarHBondContact CA-O 3.26Å; S115-Q117 VanDerWaalsContact C-N 3.28Å; S115-Q117 PolarHBondContact O-N 2.8Å
118	K	87.4	Confident	84.5	Confident	118 Å²	118	63.8 Å²	63.8	51%	0.513	38%	0.375	S	S	.	.			trans	-78	144	171.9	-64	-172.6	175.5	179.3	0	110.6	S92 D95	S92-K118 PolarHBondContact O-NZ 3.15Å; D95-K118 CarbonylContact O-C 3.52Å; D95-K118 VanDerWaalsContact O-CA 3.3Å; D95-K118 WeakPolarHBondContact O-CA 3.38Å
119	S	87.6	Confident	84.2	Confident	11 Å²	11	58.3 Å²	58.3	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.3	-179.6	73.8	0	0	0	0	111.5	D95 L96 F97 L109 C113	D95-S119 PolarHBondContact O-N 3.4Å; L96-S119 CarbonylContact C-O 3.53Å; L96-S119 VanDerWaalsContact CA-O 3.29Å; L96-S119 WeakPolarHBondContact CA-O 3.46Å; F97-S119 PolarHBondContact N-O 3.38Å; L109-S119 WeakPolarHBondContact CB-OG 3.23Å; L109-S119 PolarHBondContact O-OG 2.77Å; C113-S119 PolarHBondContact SG-OG 3.43Å
120	A	88.7	Confident	83.9	Confident	56 Å²	56	58.5 Å²	58.5	46%	0.463	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	135.4	176.7	0	0	0	0	0	110.7	F97	F97-A120 HydrophobicContact CB-CB 4.03Å; F97-A120 CarbonylContact O-C 3.58Å; F97-A120 VanDerWaalsContact O-CA 3.26Å; F97-A120 WeakPolarHBondContact O-CA 3.27Å
121	N	87.2	Confident	83.6	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	104.7	162.3	-175.7	-9.9	0	0	0	108.7	F97 A98 G99 A102 D105 L109 I123	F97-N121 PolarHBondContact O-N 2.97Å; A98-N121 CarbonylContact C-O 3.59Å; A98-N121 WeakPolarHBondContact CA-O 3.37Å; G99-N121 PolarHBondContact N-O 2.88Å; A102-N121 HydrophobicContact CB-CB 3.71Å; A102-N121 WeakPolarHBondContact CB-O 3.36Å; D105-N121 WeakPolarHBondContact OD2-CB 3.36Å; D105-N121 PolarHBondContact OD2-ND2 2.88Å; L109-N121 HydrophobicContact CD1-CB 4.06Å; L109-N121 HydrophobicContact CD2-CB 4.19Å; N121-I123 PolarHBondContact OD1-N 3.35Å
122	I	84.2	Confident	83.3	Confident	51 Å²	51	62 Å²	62	26%	0.262	37%	0.371	S	S	.	.			trans	-120.5	12.9	-175.9	60.2	169	0	0	0	111.5	A85 N86 F97	A85-I122 HydrophobicContact CB-CG2 4.27Å; A85-I122 VanDerWaalsContact O-CG2 3.26Å; A85-I122 WeakPolarHBondContact O-CG2 3.36Å; N86-I122 WeakPolarHBondContact OD1-CA 3.34Å; N86-I122 WeakPolarHBondContact OD1-CB 3.49Å; N86-I122 PolarHBondContact OD1-O 3.01Å; F97-I122 HydrophobicContact CB-CG2 4.17Å
123	I	83.6	Confident	82.7	Confident	130 Å²	130	60.4 Å²	60.4	67%	0.667	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-71.1	132.8	-178.9	-59.2	175.4	0	0	0	108	N121	N121-I123 PolarHBondContact OD1-N 3.35Å
124	L	82.3	Confident	82.1	Confident	57 Å²	57	66.2 Å²	66.2	30%	0.298	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-84	128	173.7	-68	173.7	0	0	0	108.9	N86 D101	N86-L124 VanDerWaalsContact ND2-CD2 3.28Å; N86-L124 WeakPolarHBondContact ND2-CD2 3.38Å; D101-L124 WeakPolarHBondContact OD2-CA 3.45Å; D101-L124 WeakPolarHBondContact OD2-CD2 3.23Å
125	S	80.7	Confident	81.7	Confident	41 Å²	41	64.3 Å²	64.3	29%	0.287	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-95.2	141.4	179.1	175.1	0	0	0	0	110.4	D101 D127 E128	D101-S125 PolarHBondContact OD2-N 3.37Å; S125-D127 VanDerWaalsContact C-N 3.34Å; S125-D127 PolarHBondContact OG-N 2.9Å; S125-D127 VanDerWaalsContact OG-N 3.14Å; S125-E128 PolarHBondContact OG-N 3.49Å; S125-E128 VanDerWaalsContact OG-N 3.11Å
126	C	81.5	Confident	81.1	Confident	92 Å²	92	63.5 Å²	63.5	62%	0.622	36%	0.359	S	S	*	.	S	Bend	trans	-78.1	-21.7	171.9	-66.3	0	0	0	0	112.4
127	D	81.1	Confident	80.3	Confident	137 Å²	137	63.6 Å²	63.6	73%	0.733	34%	0.337	S	S	*	.	S	Bend	trans	-116	-17.1	-167.1	-52.3	-48.3	0	0	0	113.6	S125 T129	S125-D127 VanDerWaalsContact C-N 3.34Å; S125-D127 PolarHBondContact OG-N 2.9Å; S125-D127 VanDerWaalsContact OG-N 3.14Å; D127-T129 PolarHBondContact O-N 3.34Å
128	E	84.9	Confident	79.1	Confident	25 Å²	25	65.6 Å²	65.6	12%	0.117	34%	0.344	C	S	.	.			trans	-69.8	122.6	-175.4	-179.5	62.1	-91.4	0	0	112.5	D101 R104 S125 Y130 R169	D101-E128 HydrophobicContact CB-CB 4.45Å; R104-E128 VanDerWaalsContact CD-OE2 3.3Å; R104-E128 WeakPolarHBondContact CD-OE2 3.18Å; R104-E128 IonicContact CZ-OE1 3.96Å; R104-E128 IonicContact CZ-OE2 3.3Å; R104-E128 IonicContact NE-OE1 3.15Å; R104-E128 PolarHBondContact NE-OE1 3.4Å; R104-E128 IonicContact NE-OE2 3.98Å; R104-E128 PolarHBondContact NE-OE2 3.35Å; R104-E128 IonicContact NH2-OE1 3.51Å; R104-E128 PolarHBondContact NH2-OE1 3.08Å; R104-E128 IonicContact NH2-OE2 2.77Å; S125-E128 PolarHBondContact OG-N 3.49Å; S125-E128 VanDerWaalsContact OG-N 3.11Å; E128-Y130 HydrophobicContact CG-CD1 4.1Å; E128-Y130 HydrophobicContact CG-CE1 3.82Å; E128-Y130 WeakPolarHBondContact OE1-CA 3.36Å; E128-Y130 WeakPolarHBondContact OE1-CD1 3.33Å; E128-Y130 PolarHBondContact OE1-N 3.27Å; E128-R169 PolarHBondContact O-NE 3.36Å
129	T	82	Confident	77.9	Confident	17 Å²	17	66.3 Å²	66.3	10%	0.104	35%	0.353	C	S	.	.			trans	-129.6	-10.3	-179.7	57.1	0	0	0	0	113.9	D127 A131 R169 R171	D127-T129 PolarHBondContact O-N 3.34Å; T129-A131 VanDerWaalsContact C-N 3.3Å; T129-R169 HydrophobicContact CG2-CB 4.42Å; T129-R169 HydrophobicContact CG2-CG 3.77Å; T129-R171 HydrophobicContact CG2-CB 4.48Å
130	Y	81.6	Confident	76.9	Confident	6 Å²	6	70.1 Å²	70.1	2%	0.024	39%	0.394	C	S	.	.			trans	61.6	29.2	-171.5	-55.8	-54.6	0	0	0	115	I22 L26 P100 Y103 R104 E128 D132 I133 R150	I22-Y130 HydrophobicContact CD1-CE2 4.15Å; L26-Y130 HydrophobicContact CD2-CG 4.45Å; P100-Y130 PolarHBondContact O-OH 3.07Å; Y103-Y130 VanDerWaalsContact CB-OH 3.27Å; Y103-Y130 WeakPolarHBondContact CB-OH 3.41Å; Y103-Y130 HydrophobicContact CD2-CE2 4.04Å; Y103-Y130 AromaticContact CD2-CZ 3.84Å; Y103-Y130 WeakPolarHBondContact CD2-OH 3.38Å; Y103-Y130 VanDerWaalsContact CG-OH 3.29Å; Y103-Y130 PolarHBondContact N-OH 3.34Å; R104-Y130 HydrophobicContact CG-CD1 4.41Å; R104-Y130 HydrophobicContact CG-CE1 4.17Å; E128-Y130 HydrophobicContact CG-CD1 4.1Å; E128-Y130 HydrophobicContact CG-CE1 3.82Å; E128-Y130 WeakPolarHBondContact OE1-CA 3.36Å; E128-Y130 WeakPolarHBondContact OE1-CD1 3.33Å; E128-Y130 PolarHBondContact OE1-N 3.27Å; Y130-D132 PolarHBondContact O-N 3.47Å; Y130-D132 VanDerWaalsContact O-N 3.11Å; Y130-I133 HydrophobicContact CD1-CD1 3.36Å; Y130-I133 HydrophobicContact CD1-CG1 4.24Å; Y130-I133 HydrophobicContact CE1-CD1 4.04Å; Y130-I133 HydrophobicContact CG-CD1 4.08Å; Y130-I133 PolarHBondContact O-N 3.33Å; Y130-R150 VanDerWaalsContact CE2-CZ 3.5Å
131	A	79.3	Confident	76.5	Confident	28 Å²	28	69.2 Å²	69.2	23%	0.231	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.4	-176.6	0	0	0	0	0	115.2	T129 R171 S175	T129-A131 VanDerWaalsContact C-N 3.3Å; A131-R171 HydrophobicContact CB-CG 4.17Å; A131-S175 WeakPolarHBondContact CA-OG 3.1Å; A131-S175 WeakPolarHBondContact CB-OG 3.31Å; A131-S175 PolarHBondContact O-OG 2.94Å
132	D	79	Confident	76.4	Confident	105 Å²	105	68 Å²	68	56%	0.561	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	5.5	-177.4	56.8	-49.4	0	0	0	113.4	R104 Y130	R104-D132 IonicContact CZ-OD1 2.63Å; R104-D132 IonicContact CZ-OD2 2.98Å; R104-D132 IonicContact NH1-OD1 3.61Å; R104-D132 PolarHBondContact NH1-OD1 2.81Å; R104-D132 IonicContact NH1-OD2 2.72Å; R104-D132 PolarHBondContact NH1-OD2 3.46Å; R104-D132 IonicContact NH2-OD1 2.69Å; R104-D132 PolarHBondContact NH2-OD1 2.89Å; R104-D132 IonicContact NH2-OD2 3.5Å; Y130-D132 PolarHBondContact O-N 3.47Å; Y130-D132 VanDerWaalsContact O-N 3.11Å
133	I	74.7	Confident	76.6	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.036	37%	0.374	C	S	.	.			trans	-99.2	111.6	176	-54.9	-170.5	0	0	0	109.5	L26 T30 I33 R104 Y130	L26-I133 HydrophobicContact CD2-CB 4.27Å; L26-I133 HydrophobicContact CD2-CG2 4.06Å; T30-I133 HydrophobicContact CG2-CD1 3.94Å; I33-I133 HydrophobicContact CD1-CG2 4.04Å; R104-I133 HydrophobicContact CG-CD1 3.83Å; Y130-I133 HydrophobicContact CD1-CD1 3.36Å; Y130-I133 HydrophobicContact CD1-CG1 4.24Å; Y130-I133 HydrophobicContact CE1-CD1 4.04Å; Y130-I133 HydrophobicContact CG-CD1 4.08Å; Y130-I133 PolarHBondContact O-N 3.33Å
134	R	71	Confident	76.9	Confident	133 Å²	133	61.3 Å²	61.3	50%	0.502	35%	0.345	S	S	.	.			trans	-95	131.3	-178.9	-65.6	-169.7	-179.3	-160.7	4.6	112.7	S29 V136	S29-R134 WeakPolarHBondContact CB-O 3.4Å; S29-R134 PolarHBondContact OG-O 2.76Å; R134-V136 PolarHBondContact O-N 2.63Å
135	P	70.3	Confident	77.3	Confident	18 Å²	18	62 Å²	62	12%	0.117	34%	0.344	C	S	.	.			trans	-60.8	118.7	175.8	-25.6	36.1	0	0	0	114.4	Y25 S29 R137	Y25-P135 HydrophobicContact CD2-CB 3.48Å; Y25-P135 VanDerWaalsContact CD2-CB 3.48Å; Y25-P135 HydrophobicContact CD2-CG 3.43Å; Y25-P135 VanDerWaalsContact CD2-CG 3.43Å; Y25-P135 HydrophobicContact CE2-CB 4.01Å; Y25-P135 HydrophobicContact CE2-CG 3.45Å; Y25-P135 VanDerWaalsContact CE2-CG 3.45Å; Y25-P135 HydrophobicContact CG-CB 4.28Å; S29-P135 WeakPolarHBondContact OG-CA 2.91Å; P135-R137 PolarHBondContact O-N 2.72Å
136	V	67.9	Low	77.9	Confident	65 Å²	65	60 Å²	60	39%	0.394	33%	0.33	S	S	.	.			trans	-75.8	111.3	165.2	-176.4	0	0	0	0	108.5	S29 T32 R134	S29-V136 PolarHBondContact OG-N 3.22Å; T32-V136 HydrophobicContact CG2-CG2 4.09Å; R134-V136 PolarHBondContact O-N 2.63Å
137	R	66.1	Low	78.4	Confident	75 Å²	75	56.3 Å²	56.3	28%	0.283	31%	0.306	S	S	.	.			trans	-100.8	115.2	175	-75.3	176.4	-90.6	138.6	5.3	108.5	P135 D139 E186	P135-R137 PolarHBondContact O-N 2.72Å; R137-D139 VanDerWaalsContact C-N 3.33Å; R137-E186 IonicContact CZ-OE2 2.76Å; R137-E186 IonicContact NH1-OE2 2.63Å; R137-E186 PolarHBondContact NH1-OE2 3.27Å; R137-E186 IonicContact NH2-OE1 2.75Å; R137-E186 IonicContact NH2-OE2 2.99Å; R137-E186 PolarHBondContact NH2-OE2 3.45Å
138	K	59.6	Low	79	Confident	168 Å²	168	49.8 Å²	49.8	73%	0.73	27%	0.271	S	S	*	.	S	Bend	trans	-70.6	-30.8	179	-78.8	-169.1	173.3	-171.9	0	112.8
139	D	62.5	Low	79.4	Confident	133 Å²	133	48.7 Å²	48.7	71%	0.711	27%	0.266	S	S	*	.	S	Bend	trans	-126.3	134.3	-177.7	-53.6	-46.7	0	0	0	109	R137 S141	R137-D139 VanDerWaalsContact C-N 3.33Å; D139-S141 VanDerWaalsContact C-N 3.29Å; D139-S141 PolarHBondContact O-N 3.08Å
140	G	67.2	Low	79.8	Confident	91 Å²	91	48 Å²	48	94%	0.938	26%	0.261	S	S	*	.			trans	-61.6	87.4	174.7	0	0	0	0	0	110.8
141	S	79.6	Confident	80.2	Confident	38 Å²	38	47.8 Å²	47.8	27%	0.266	26%	0.26	S	S	.	.			trans	-81	135	176.7	-167.2	0	0	0	0	109.7	D139 F143	D139-S141 VanDerWaalsContact C-N 3.29Å; D139-S141 PolarHBondContact O-N 3.08Å; S141-F143 WeakPolarHBondContact CB-O 3.48Å; S141-F143 PolarHBondContact O-N 3.15Å; S141-F143 VanDerWaalsContact O-N 3.11Å; S141-F143 WeakPolarHBondContact OG-CD1 2.77Å; S141-F143 VanDerWaalsContact OG-CE1 3.28Å; S141-F143 WeakPolarHBondContact OG-CE1 3.07Å; S141-F143 PolarHBondContact OG-O 3.11Å
142	A	85.7	Confident	80.8	Confident	10 Å²	10	46.9 Å²	46.9	8%	0.083	25%	0.252	C	S	.	.	S	Bend	trans	-67.5	-8.6	175.4	0	0	0	0	0	113.4	K189 E190 F392 V433	A142-K189 PolarHBondContact O-N 2.8Å; A142-E190 PolarHBondContact O-N 2.8Å; A142-F392 HydrophobicContact CB-CE2 4.45Å; A142-F392 HydrophobicContact CB-CZ 3.78Å; A142-F392 WeakPolarHBondContact O-CZ 3.27Å; A142-V433 HydrophobicContact CB-CG1 3.88Å
143	F	89	Confident	81.4	Confident	34 Å²	34	43.9 Å²	43.9	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.4	174.8	67.5	-80	0	0	0	112.1	S141 Y145 E190 F392 L394	S141-F143 WeakPolarHBondContact CB-O 3.48Å; S141-F143 PolarHBondContact O-N 3.15Å; S141-F143 VanDerWaalsContact O-N 3.11Å; S141-F143 WeakPolarHBondContact OG-CD1 2.77Å; S141-F143 VanDerWaalsContact OG-CE1 3.28Å; S141-F143 WeakPolarHBondContact OG-CE1 3.07Å; S141-F143 PolarHBondContact OG-O 3.11Å; F143-Y145 HydrophobicContact CD2-CE2 4.07Å; F143-Y145 AromaticContact CE2-CE2 3.79Å; F143-Y145 HydrophobicContact CE2-CE2 3.79Å; F143-E190 CarbonylContact C-O 3.51Å; F143-E190 WeakPolarHBondContact CA-O 3.44Å; F143-E190 HydrophobicContact CB-CB 4.16Å; F143-E190 WeakPolarHBondContact CB-O 3.44Å; F143-F392 HydrophobicContact CB-CE1 4.17Å; F143-L394 HydrophobicContact CB-CD2 4.22Å; F143-L394 HydrophobicContact CD1-CD2 3.5Å; F143-L394 VanDerWaalsContact CD1-CD2 3.5Å; F143-L394 HydrophobicContact CE1-CB 4.44Å; F143-L394 HydrophobicContact CE1-CD2 4.05Å; F143-L394 HydrophobicContact CG-CD2 3.92Å
144	A	90	Very high	82.1	Confident	7 Å²	7	44.4 Å²	44.4	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	172.7	176.3	0	0	0	0	0	111.8	L183 V188 E190 V191 T192	A144-L183 HydrophobicContact CB-CD1 4.06Å; A144-L183 HydrophobicContact CB-CD2 3.32Å; A144-L183 HydrophobicContact CB-CG 4.36Å; A144-V188 HydrophobicContact CB-CG1 3.95Å; A144-V188 HydrophobicContact CB-CG2 4.46Å; A144-E190 PolarHBondContact N-O 2.71Å; A144-V191 CarbonylContact O-C 3.49Å; A144-V191 WeakPolarHBondContact O-CA 3.39Å; A144-T192 PolarHBondContact O-N 2.71Å
145	Y	90.4	Very high	83	Confident	71 Å²	71	41.4 Å²	41.4	28%	0.278	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.1	177.6	-64.7	-80.6	0	0	0	108.1	Y25 F143 T192 L194	Y25-Y145 AromaticContact CE1-CD2 3.95Å; Y25-Y145 HydrophobicContact CE1-CD2 3.95Å; Y25-Y145 HydrophobicContact CE1-CG 4.15Å; Y25-Y145 WeakPolarHBondContact OH-CB 3.04Å; Y25-Y145 PolarHBondContact OH-O 3.43Å; F143-Y145 HydrophobicContact CD2-CE2 4.07Å; F143-Y145 AromaticContact CE2-CE2 3.79Å; F143-Y145 HydrophobicContact CE2-CE2 3.79Å; Y145-T192 VanDerWaalsContact CA-O 3.29Å; Y145-T192 WeakPolarHBondContact CA-O 3.45Å; Y145-T192 HydrophobicContact CD1-CG2 4.02Å; Y145-T192 HydrophobicContact CE1-CG2 4.08Å; Y145-L194 HydrophobicContact CD1-CD1 3.74Å; Y145-L194 HydrophobicContact CD1-CD2 3.95Å; Y145-L194 HydrophobicContact CD1-CG 3.96Å; Y145-L194 HydrophobicContact CG-CD1 3.95Å
146	I	92.4	Very high	84	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.3	174.7	-58.1	177.4	0	0	0	107.9	I148 I176 E179 F180 L183 V191 T192 L193 L194	I146-I148 HydrophobicContact CG2-CG2 4.17Å; I146-I148 PolarHBondContact O-N 3.35Å; I146-I176 HydrophobicContact CG2-CG2 4.21Å; I146-E179 HydrophobicContact CG1-CG 4.41Å; I146-F180 HydrophobicContact CD1-CB 3.97Å; I146-F180 HydrophobicContact CD1-CD2 3.84Å; I146-F180 HydrophobicContact CD1-CG 4.4Å; I146-L183 HydrophobicContact CD1-CD1 3.46Å; I146-L183 VanDerWaalsContact CD1-CD1 3.46Å; I146-L183 HydrophobicContact CG1-CD1 3.52Å; I146-V191 HydrophobicContact CB-CG1 4.3Å; I146-V191 HydrophobicContact CD1-CG1 3.57Å; I146-V191 HydrophobicContact CD1-CG2 4.44Å; I146-V191 HydrophobicContact CG1-CG1 3.69Å; I146-T192 PolarHBondContact N-O 3.11Å; I146-L193 HydrophobicContact CB-CD2 4.21Å; I146-L193 CarbonylContact O-C 3.6Å; I146-L193 WeakPolarHBondContact O-CA 3.4Å; I146-L194 PolarHBondContact O-N 3.18Å
147	S	92.1	Very high	85.1	Confident	15 Å²	15	39.5 Å²	39.5	11%	0.105	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115	172	-171.7	0	0	0	0	108.7	R171 L194	S147-R171 WeakPolarHBondContact O-CD 3.42Å; S147-R171 PolarHBondContact O-NH1 3.02Å; S147-L194 WeakPolarHBondContact CA-O 3.11Å
148	I	94.2	Very high	86.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.			trans	-98.8	-17.6	-176.7	64	166.2	0	0	0	112.8	I146 R171 I176 L193 L194 V198 Y201 F236 L239	I146-I148 HydrophobicContact CG2-CG2 4.17Å; I146-I148 PolarHBondContact O-N 3.35Å; I148-R171 VanDerWaalsContact O-CB 3.27Å; I148-R171 WeakPolarHBondContact O-CB 3.47Å; I148-R171 PolarHBondContact O-N 3.3Å; I148-I176 HydrophobicContact CB-CD1 3.83Å; I148-I176 HydrophobicContact CG2-CD1 3.91Å; I148-I176 HydrophobicContact CG2-CG1 4.32Å; I148-I176 HydrophobicContact CG2-CG2 4.23Å; I148-L193 HydrophobicContact CD1-CB 4.26Å; I148-L193 HydrophobicContact CD1-CD1 4.49Å; I148-L193 HydrophobicContact CG2-CB 4.18Å; I148-L193 HydrophobicContact CG2-CD2 3.9Å; I148-L193 HydrophobicContact CG2-CG 4.43Å; I148-L194 WeakPolarHBondContact CG1-O 3.29Å; I148-L194 PolarHBondContact N-O 2.9Å; I148-V198 HydrophobicContact CD1-CB 4.17Å; I148-V198 HydrophobicContact CD1-CG1 4.36Å; I148-V198 HydrophobicContact CG1-CG1 4.49Å; I148-Y201 HydrophobicContact CB-CD2 4.18Å; I148-Y201 HydrophobicContact CB-CE2 4.38Å; I148-Y201 HydrophobicContact CD1-CD2 4.15Å; I148-Y201 HydrophobicContact CD1-CG 4.37Å; I148-Y201 HydrophobicContact CG1-CD2 4.32Å; I148-Y201 WeakPolarHBondContact O-CD2 3.42Å; I148-Y201 WeakPolarHBondContact O-CE2 3.25Å; I148-F236 HydrophobicContact CD1-CD2 4.23Å; I148-F236 HydrophobicContact CD1-CE2 3.94Å; I148-L239 HydrophobicContact CB-CD2 4.39Å; I148-L239 HydrophobicContact CD1-CD2 3.75Å; I148-L239 HydrophobicContact CG2-CD2 4.3Å
149	M	92.8	Very high	87.4	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	166.6	-178.1	68.3	-177.7	-58	0	0	112.1	E168 R169 V198 Y201	M149-E168 HydrophobicContact CE-CG 3.22Å; M149-R169 CarbonylContact C-O 3.49Å; M149-R169 VanDerWaalsContact CA-O 3.3Å; M149-R169 WeakPolarHBondContact CA-O 3.05Å; M149-R169 VanDerWaalsContact CB-O 3.3Å; M149-R169 WeakPolarHBondContact CB-O 3.47Å; M149-V198 VanDerWaalsContact SD-CA 3.55Å; M149-Y201 HydrophobicContact CB-CD2 4.48Å
150	R	90.8	Very high	88.5	Confident	3 Å²	3	25.2 Å²	25.2	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.1	-179.5	-56.6	-169.9	67.9	-140.9	-23.1	111.2	P100 D101 Y130 E168 R169	P100-R150 VanDerWaalsContact C-NH2 3.35Å; P100-R150 PolarHBondContact O-NH1 2.79Å; P100-R150 PolarHBondContact O-NH2 3.26Å; D101-R150 IonicContact OD1-CZ 3.11Å; D101-R150 IonicContact OD1-NH1 3.68Å; D101-R150 PolarHBondContact OD1-NH1 2.77Å; D101-R150 IonicContact OD1-NH2 3.86Å; D101-R150 PolarHBondContact OD1-NH2 2.65Å; Y130-R150 VanDerWaalsContact CE2-CZ 3.5Å; R150-E168 CarbonylContact O-C 3.26Å; R150-E168 WeakPolarHBondContact O-CA 3.24Å; R150-R169 HydrophobicContact CB-CG 4.47Å; R150-R169 PolarHBondContact N-O 3.34Å; R150-R169 PolarHBondContact O-N 3.01Å; R150-R169 PolarHBondContact O-NH1 3.03Å; R150-R169 VanDerWaalsContact O-NH1 3.09Å
151	G	89.7	Confident	89.4	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.			trans	77.1	178	179.4	0	0	0	0	0	113.2	G166 R169 Q196	G151-G166 WeakPolarHBondContact CA-O 3.14Å; G151-R169 VanDerWaalsContact N-NH1 3.16Å; G151-Q196 VanDerWaalsContact O-CB 3.29Å; G151-Q196 WeakPolarHBondContact O-CB 3.47Å
152	C	91.2	Very high	89.7	Confident	10 Å²	10	20.9 Å²	20.9	7%	0.068	11%	0.111	C	C	.	.			trans	-152.6	134.8	-177.4	-173.8	0	0	0	0	109.3	N154 V161 G166 Q196	C152-N154 PolarHBondContact SG-N 3.06Å; C152-N154 PolarHBondContact SG-ND2 2.88Å; C152-N154 VanDerWaalsContact SG-ND2 3.35Å; C152-V161 HydrophobicContact CB-CG1 3.74Å; C152-G166 PolarHBondContact N-O 3.42Å; C152-Q196 HydrophobicContact CB-CB 4.23Å
153	N	91.6	Very high	89.7	Confident	41 Å²	41	24.9 Å²	24.9	22%	0.219	13%	0.127	C	C	.	.			trans	-92.1	-6.7	177	-74.3	-19.5	0	0	0	113.4	R167 E168 C227	N153-R167 WeakPolarHBondContact OD1-CA 3.42Å; N153-R167 WeakPolarHBondContact OD1-CD 3.28Å; N153-E168 HydrophobicContact CB-CB 4.24Å; N153-E168 VanDerWaalsContact CG-CB 3.46Å; N153-E168 VanDerWaalsContact ND2-CB 3.32Å; N153-E168 WeakPolarHBondContact ND2-CB 3.48Å; N153-E168 PolarHBondContact OD1-N 3.46Å; N153-C227 HydrophobicContact CB-CB 4.14Å; N153-C227 PolarHBondContact O-SG 2.64Å; N153-C227 VanDerWaalsContact O-SG 3.33Å
154	N	90.3	Very high	89.4	Confident	19 Å²	19	23.5 Å²	23.5	10%	0.102	12%	0.121	C	C	.	.			trans	-70.1	132.1	175.9	-60.7	-50.7	0	0	0	110.5	C152 P162 N197 H258 K260	C152-N154 PolarHBondContact SG-N 3.06Å; C152-N154 PolarHBondContact SG-ND2 2.88Å; C152-N154 VanDerWaalsContact SG-ND2 3.35Å; N154-P162 WeakPolarHBondContact O-CG 3.17Å; N154-N197 PolarHBondContact ND2-ND2 3.19Å; N154-H258 PolarHBondContact ND2-CD2 2.83Å; N154-K260 WeakPolarHBondContact OD1-CE 3.44Å
155	M	89.9	Confident	89.2	Confident	69 Å²	69	23.3 Å²	23.3	34%	0.34	12%	0.118	S	C	.	.			trans	-105	49.8	-179.1	-62.6	-61.5	-68.7	0	0	111.2	T157 P162 F163 N296	M155-T157 PolarHBondContact O-N 2.87Å; M155-P162 HydrophobicContact SD-CB 4.2Å; M155-P162 HydrophobicContact SD-CG 4.25Å; M155-F163 HydrophobicContact CE-CE1 4.43Å; M155-F163 HydrophobicContact CE-CZ 3.84Å; M155-N296 PolarHBondContact O-ND2 3.14Å
156	C	91.4	Very high	89.1	Confident	14 Å²	14	20.3 Å²	20.3	10%	0.095	11%	0.109	C	C	.	.			trans	-62	133.4	175.7	-50.5	0	0	0	0	109.9	Y158 C159 M295	C156-Y158 HydrophobicContact CB-CD1 4.02Å; C156-Y158 HydrophobicContact CB-CE1 3.56Å; C156-Y158 HydrophobicContact CB-CE2 4.46Å; C156-Y158 PolarHBondContact O-N 2.99Å; C156-Y158 VanDerWaalsContact O-N 3.08Å; C156-C159 HydrophobicContact CB-CB 3.84Å; C156-C159 PolarHBondContact O-N 3.47Å; C156-M295 WeakPolarHBondContact CA-O 3.3Å
157	T	90.2	Very high	89	Confident	29 Å²	29	26.9 Å²	26.9	18%	0.178	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.3	-171.5	55	0	0	0	0	114.2	M155 R294 M295 N296	M155-T157 PolarHBondContact O-N 2.87Å; T157-R294 VanDerWaalsContact CG2-O 3.29Å; T157-R294 WeakPolarHBondContact CG2-O 3.45Å; T157-R294 PolarHBondContact OG1-O 3.19Å; T157-M295 PolarHBondContact N-O 3.36Å; T157-M295 VanDerWaalsContact N-O 3.15Å; T157-M295 VanDerWaalsContact OG1-CA 3.3Å; T157-M295 WeakPolarHBondContact OG1-CA 3.41Å; T157-N296 HydrophobicContact CG2-CB 3.98Å
158	Y	86.6	Confident	88.9	Confident	34 Å²	34	28.3 Å²	28.3	13%	0.133	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-9	177.2	60.5	-89	0	0	0	114.2	C156 Q285 M295 I325 F328	C156-Y158 HydrophobicContact CB-CD1 4.02Å; C156-Y158 HydrophobicContact CB-CE1 3.56Å; C156-Y158 HydrophobicContact CB-CE2 4.46Å; C156-Y158 PolarHBondContact O-N 2.99Å; C156-Y158 VanDerWaalsContact O-N 3.08Å; Y158-Q285 WeakPolarHBondContact OH-CG 3.41Å; Y158-M295 HydrophobicContact CD1-CB 4.08Å; Y158-M295 HydrophobicContact CD1-CG 3.9Å; Y158-M295 HydrophobicContact CD1-SD 4.33Å; Y158-M295 HydrophobicContact CE1-CB 3.93Å; Y158-M295 HydrophobicContact CE1-CG 4.03Å; Y158-M295 HydrophobicContact CE1-SD 4.1Å; Y158-I325 HydrophobicContact CD1-CD1 4.43Å; Y158-I325 HydrophobicContact CD2-CD1 3.43Å; Y158-I325 VanDerWaalsContact CD2-CD1 3.43Å; Y158-I325 HydrophobicContact CE1-CD1 4.49Å; Y158-I325 HydrophobicContact CE2-CD1 3.5Å; Y158-I325 HydrophobicContact CG-CD1 3.93Å; Y158-F328 HydrophobicContact CD1-CE2 4.49Å
159	C	88.1	Confident	88.8	Confident	28 Å²	28	29.2 Å²	29.2	19%	0.189	14%	0.143	C	C	.	.			trans	-95.9	126.4	-165.6	-170.6	0	0	0	0	112.6	C156 V161	C156-C159 HydrophobicContact CB-CB 3.84Å; C156-C159 PolarHBondContact O-N 3.47Å; C159-V161 VanDerWaalsContact SG-CB 3.58Å; C159-V161 VanDerWaalsContact SG-CG2 3.59Å
160	I	84.9	Confident	88.8	Confident	15 Å²	15	30 Å²	30	8%	0.077	15%	0.148	C	C	.	.			trans	-85.8	-11.4	177.6	-169.9	59.1	0	0	0	113.2	F163 T164 V361	I160-F163 HydrophobicContact CD1-CB 4.24Å; I160-F163 PolarHBondContact O-N 2.9Å; I160-T164 HydrophobicContact CD1-CG2 4.11Å; I160-T164 HydrophobicContact CG1-CG2 3.63Å; I160-T164 PolarHBondContact O-N 2.92Å; I160-T164 VanDerWaalsContact O-N 3.15Å; I160-T164 PolarHBondContact O-OG1 2.76Å; I160-V361 HydrophobicContact CD1-CG1 3.36Å; I160-V361 HydrophobicContact CG1-CG1 4.48Å
161	V	86.7	Confident	88.9	Confident	23 Å²	23	30.5 Å²	30.5	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-50	-167.3	172.3	0	0	0	0	112.6	C152 C159 F163 T164 R165 Q196	C152-V161 HydrophobicContact CB-CG1 3.74Å; C159-V161 VanDerWaalsContact SG-CB 3.58Å; C159-V161 VanDerWaalsContact SG-CG2 3.59Å; V161-F163 PolarHBondContact O-N 2.88Å; V161-F163 VanDerWaalsContact O-N 3.15Å; V161-T164 PolarHBondContact O-N 3.44Å; V161-T164 VanDerWaalsContact O-N 3.09Å; V161-T164 PolarHBondContact O-OG1 2.83Å; V161-R165 HydrophobicContact CG1-CB 4.13Å; V161-R165 HydrophobicContact CG1-CG 4.24Å; V161-R165 WeakPolarHBondContact O-CB 3.42Å; V161-R165 PolarHBondContact O-N 3.11Å; V161-Q196 HydrophobicContact CG1-CB 4Å; V161-Q196 HydrophobicContact CG1-CG 3.6Å
162	P	86.2	Confident	89.1	Confident	14 Å²	14	32.2 Å²	32.2	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-34.4	-179.1	-24.1	34.3	0	0	0	113.1	N154 M155 G166	N154-P162 WeakPolarHBondContact O-CG 3.17Å; M155-P162 HydrophobicContact SD-CB 4.2Å; M155-P162 HydrophobicContact SD-CG 4.25Å; P162-G166 VanDerWaalsContact O-CA 3.28Å; P162-G166 WeakPolarHBondContact O-CA 3.43Å; P162-G166 PolarHBondContact O-N 3.48Å
163	F	84.6	Confident	89.2	Confident	95 Å²	95	32.1 Å²	32.1	42%	0.417	16%	0.159	S	C	.	.	H	α-helix	trans	-82.7	-16.7	-177.9	-53.7	-74.3	0	0	0	114.2	M155 I160 V161 V361	M155-F163 HydrophobicContact CE-CE1 4.43Å; M155-F163 HydrophobicContact CE-CZ 3.84Å; I160-F163 HydrophobicContact CD1-CB 4.24Å; I160-F163 PolarHBondContact O-N 2.9Å; V161-F163 PolarHBondContact O-N 2.88Å; V161-F163 VanDerWaalsContact O-N 3.15Å; F163-V361 HydrophobicContact CD2-CG1 4.5Å; F163-V361 HydrophobicContact CE2-CB 4.39Å
164	T	83.1	Confident	89.3	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-114	-14.8	-179.3	49.7	0	0	0	0	113.5	C83 N86 P100 I160 V161	C83-T164 HydrophobicContact CB-CG2 4.33Å; N86-T164 PolarHBondContact ND2-O 2.79Å; P100-T164 WeakPolarHBondContact CG-O 2.98Å; I160-T164 HydrophobicContact CD1-CG2 4.11Å; I160-T164 HydrophobicContact CG1-CG2 3.63Å; I160-T164 PolarHBondContact O-N 2.92Å; I160-T164 VanDerWaalsContact O-N 3.15Å; I160-T164 PolarHBondContact O-OG1 2.76Å; V161-T164 PolarHBondContact O-N 3.44Å; V161-T164 VanDerWaalsContact O-N 3.09Å; V161-T164 PolarHBondContact O-OG1 2.83Å
165	R	85.6	Confident	89.4	Confident	3 Å²	3	33.7 Å²	33.7	1%	0.011	17%	0.172	C	C	.	.	H	α-helix	trans	-124	-6.8	-178.3	-66.4	-78.5	172.3	145	-13.4	113	C21 I22 C83 V161 R169	C21-R165 PolarHBondContact O-NH2 3.24Å; I22-R165 VanDerWaalsContact CD1-NH1 3.34Å; C83-R165 PolarHBondContact SG-NE 3.26Å; C83-R165 PolarHBondContact SG-NH2 2.86Å; C83-R165 VanDerWaalsContact SG-NH2 3.38Å; V161-R165 HydrophobicContact CG1-CB 4.13Å; V161-R165 HydrophobicContact CG1-CG 4.24Å; V161-R165 WeakPolarHBondContact O-CB 3.42Å; V161-R165 PolarHBondContact O-N 3.11Å; R165-R169 PolarHBondContact O-NH1 3.37Å; R165-R169 PolarHBondContact O-NH2 2.82Å
166	G	88	Confident	89.6	Confident	8 Å²	8	30.4 Å²	30.4	8%	0.082	16%	0.156	C	C	.	.			trans	77.5	-174.9	-178.7	0	0	0	0	0	113.4	G151 C152 P162	G151-G166 WeakPolarHBondContact CA-O 3.14Å; C152-G166 PolarHBondContact N-O 3.42Å; P162-G166 VanDerWaalsContact O-CA 3.28Å; P162-G166 WeakPolarHBondContact O-CA 3.43Å; P162-G166 PolarHBondContact O-N 3.48Å
167	R	90.3	Very high	89.8	Confident	139 Å²	139	32.3 Å²	32.3	53%	0.525	16%	0.164	S	C	.	.	S	Bend	trans	-64.4	157.3	176	-66.6	-67.5	-178	-179.3	0.9	111.1	N153 R169	N153-R167 WeakPolarHBondContact OD1-CA 3.42Å; N153-R167 WeakPolarHBondContact OD1-CD 3.28Å; R167-R169 WeakPolarHBondContact O-CD 3.17Å; R167-R169 PolarHBondContact O-NH1 3.28Å
168	E	90.7	Very high	90	Very high	45 Å²	45	35.2 Å²	35.2	21%	0.21	18%	0.178	C	C	.	.			trans	-64.2	134.2	179	-165.1	167.8	99.7	0	0	111.8	M149 R150 N153 S200	M149-E168 HydrophobicContact CE-CG 3.22Å; R150-E168 CarbonylContact O-C 3.26Å; R150-E168 WeakPolarHBondContact O-CA 3.24Å; N153-E168 HydrophobicContact CB-CB 4.24Å; N153-E168 VanDerWaalsContact CG-CB 3.46Å; N153-E168 VanDerWaalsContact ND2-CB 3.32Å; N153-E168 WeakPolarHBondContact ND2-CB 3.48Å; N153-E168 PolarHBondContact OD1-N 3.46Å; E168-S200 WeakPolarHBondContact OE1-CB 3.32Å; E168-S200 PolarHBondContact OE1-OG 2.98Å; E168-S200 PolarHBondContact OE2-OG 3.11Å
169	R	91.6	Very high	90.3	Very high	19 Å²	19	34.3 Å²	34.3	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.5	166.7	60.2	-89.9	177.3	-141.3	9.9	110.6	D101 E128 T129 M149 R150 G151 R165 R167	D101-R169 IonicContact OD1-CZ 3.49Å; D101-R169 IonicContact OD1-NH2 2.65Å; D101-R169 PolarHBondContact OD1-NH2 3.45Å; D101-R169 IonicContact OD2-NH2 3.51Å; D101-R169 PolarHBondContact OD2-NH2 2.82Å; E128-R169 PolarHBondContact O-NE 3.36Å; T129-R169 HydrophobicContact CG2-CB 4.42Å; T129-R169 HydrophobicContact CG2-CG 3.77Å; M149-R169 CarbonylContact C-O 3.49Å; M149-R169 VanDerWaalsContact CA-O 3.3Å; M149-R169 WeakPolarHBondContact CA-O 3.05Å; M149-R169 VanDerWaalsContact CB-O 3.3Å; M149-R169 WeakPolarHBondContact CB-O 3.47Å; R150-R169 HydrophobicContact CB-CG 4.47Å; R150-R169 PolarHBondContact N-O 3.34Å; R150-R169 PolarHBondContact O-N 3.01Å; R150-R169 PolarHBondContact O-NH1 3.03Å; R150-R169 VanDerWaalsContact O-NH1 3.09Å; G151-R169 VanDerWaalsContact N-NH1 3.16Å; R165-R169 PolarHBondContact O-NH1 3.37Å; R165-R169 PolarHBondContact O-NH2 2.82Å; R167-R169 WeakPolarHBondContact O-CD 3.17Å; R167-R169 PolarHBondContact O-NH1 3.28Å
170	S	93.7	Very high	90.6	Very high	19 Å²	19	33 Å²	33	13%	0.133	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.8	175.7	-80.8	0	0	0	0	110.7	Y201 C202	S170-Y201 WeakPolarHBondContact OG-CA 3.49Å; S170-Y201 WeakPolarHBondContact OG-CD2 2.86Å; S170-C202 WeakPolarHBondContact CB-O 3.13Å; S170-C202 PolarHBondContact OG-N 3.38Å; S170-C202 PolarHBondContact OG-O 3.49Å
171	R	93	Very high	91.1	Very high	13 Å²	13	33.5 Å²	33.5	5%	0.049	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-65	142	170.7	-179.4	179.4	169.3	-175.1	0.7	109.2	T129 A131 S147 I148 S175 I176 E179 Y201	T129-R171 HydrophobicContact CG2-CB 4.48Å; A131-R171 HydrophobicContact CB-CG 4.17Å; S147-R171 WeakPolarHBondContact O-CD 3.42Å; S147-R171 PolarHBondContact O-NH1 3.02Å; I148-R171 VanDerWaalsContact O-CB 3.27Å; I148-R171 WeakPolarHBondContact O-CB 3.47Å; I148-R171 PolarHBondContact O-N 3.3Å; R171-S175 VanDerWaalsContact CZ-OG 3.31Å; R171-S175 PolarHBondContact NE-OG 2.98Å; R171-S175 PolarHBondContact NH2-O 2.79Å; R171-S175 PolarHBondContact NH2-OG 3Å; R171-I176 HydrophobicContact CB-CD1 4.09Å; R171-I176 HydrophobicContact CB-CG1 4.18Å; R171-I176 HydrophobicContact CG-CD1 4.38Å; R171-I176 HydrophobicContact CG-CG1 3.94Å; R171-E179 IonicContact CZ-OE2 2.65Å; R171-E179 IonicContact NH1-OE2 3.74Å; R171-E179 PolarHBondContact NH1-OE2 2.94Å; R171-E179 IonicContact NH2-OE2 3.35Å; R171-E179 PolarHBondContact NH2-OE2 3.19Å; R171-Y201 WeakPolarHBondContact O-CE2 3.11Å; R171-Y201 PolarHBondContact O-OH 3.12Å; R171-Y201 VanDerWaalsContact O-OH 3.05Å
172	P	93.1	Very high	91.4	Very high	35 Å²	35	35.2 Å²	35.2	23%	0.227	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-54.6	140.3	176.4	-27.3	35.8	0	0	0	112.8	T174 S175 I176	P172-T174 VanDerWaalsContact C-N 3.34Å; P172-T174 PolarHBondContact O-N 2.94Å; P172-S175 PolarHBondContact O-N 3.3Å; P172-I176 PolarHBondContact O-N 3.01Å
173	F	93.4	Very high	91.7	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-45.5	-179.1	172	-101.5	0	0	0	112	S175 I176 E177 I234 L239 R242	F173-S175 VanDerWaalsContact C-N 3.27Å; F173-S175 PolarHBondContact O-N 2.93Å; F173-I176 CarbonylContact O-C 3.55Å; F173-I176 WeakPolarHBondContact O-CA 3.39Å; F173-I176 WeakPolarHBondContact O-CB 3.44Å; F173-I176 PolarHBondContact O-N 2.99Å; F173-E177 HydrophobicContact CE1-CB 4.11Å; F173-E177 HydrophobicContact CE1-CG 4.39Å; F173-E177 WeakPolarHBondContact CE1-OE1 3.33Å; F173-E177 WeakPolarHBondContact CE1-OE2 3.34Å; F173-E177 HydrophobicContact CZ-CB 4.08Å; F173-E177 HydrophobicContact CZ-CG 4.38Å; F173-E177 WeakPolarHBondContact O-CB 3.2Å; F173-E177 PolarHBondContact O-N 2.92Å; F173-I234 HydrophobicContact CB-CD1 3.57Å; F173-I234 HydrophobicContact CD1-CD1 4.08Å; F173-I234 HydrophobicContact CD2-CG2 4.44Å; F173-I234 HydrophobicContact CG-CD1 3.81Å; F173-L239 HydrophobicContact CD2-CD1 3.69Å; F173-L239 HydrophobicContact CE2-CD1 3.96Å; F173-R242 HydrophobicContact CE2-CB 3.84Å; F173-R242 HydrophobicContact CE2-CG 4.44Å; F173-R242 HydrophobicContact CZ-CB 3.73Å; F173-R242 VanDerWaalsContact CZ-CD 3.44Å; F173-R242 HydrophobicContact CZ-CG 4.21Å
174	T	93	Very high	92.1	Very high	77 Å²	77	34.4 Å²	34.4	47%	0.472	17%	0.169	S	C	.	.	H	α-helix	trans	-54.3	-43.2	178.8	50.8	0	0	0	0	112.3	P172 I176 E177 D178	P172-T174 VanDerWaalsContact C-N 3.34Å; P172-T174 PolarHBondContact O-N 2.94Å; T174-I176 PolarHBondContact O-N 2.82Å; T174-E177 PolarHBondContact O-N 3.33Å; T174-D178 WeakPolarHBondContact O-CB 3.4Å; T174-D178 PolarHBondContact O-N 3.33Å
175	S	93.3	Very high	92.6	Very high	16 Å²	16	39.7 Å²	39.7	11%	0.112	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-34.2	177.6	173.1	0	0	0	0	113	A131 R171 P172 F173 E179	A131-S175 WeakPolarHBondContact CA-OG 3.1Å; A131-S175 WeakPolarHBondContact CB-OG 3.31Å; A131-S175 PolarHBondContact O-OG 2.94Å; R171-S175 VanDerWaalsContact CZ-OG 3.31Å; R171-S175 PolarHBondContact NE-OG 2.98Å; R171-S175 PolarHBondContact NH2-O 2.79Å; R171-S175 PolarHBondContact NH2-OG 3Å; P172-S175 PolarHBondContact O-N 3.3Å; F173-S175 VanDerWaalsContact C-N 3.27Å; F173-S175 PolarHBondContact O-N 2.93Å; S175-E179 PolarHBondContact O-N 3.07Å
176	I	94.8	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.1	-44	174.4	-65	164.9	0	0	0	110.2	I146 I148 R171 P172 F173 T174 E179 F180 Y201 L239 L243	I146-I176 HydrophobicContact CG2-CG2 4.21Å; I148-I176 HydrophobicContact CB-CD1 3.83Å; I148-I176 HydrophobicContact CG2-CD1 3.91Å; I148-I176 HydrophobicContact CG2-CG1 4.32Å; I148-I176 HydrophobicContact CG2-CG2 4.23Å; R171-I176 HydrophobicContact CB-CD1 4.09Å; R171-I176 HydrophobicContact CB-CG1 4.18Å; R171-I176 HydrophobicContact CG-CD1 4.38Å; R171-I176 HydrophobicContact CG-CG1 3.94Å; P172-I176 PolarHBondContact O-N 3.01Å; F173-I176 CarbonylContact O-C 3.55Å; F173-I176 WeakPolarHBondContact O-CA 3.39Å; F173-I176 WeakPolarHBondContact O-CB 3.44Å; F173-I176 PolarHBondContact O-N 2.99Å; T174-I176 PolarHBondContact O-N 2.82Å; I176-E179 PolarHBondContact O-N 3.48Å; I176-F180 VanDerWaalsContact O-CB 3.27Å; I176-F180 WeakPolarHBondContact O-CB 3.46Å; I176-F180 PolarHBondContact O-N 2.92Å; I176-Y201 HydrophobicContact CD1-CE2 3.6Å; I176-L239 HydrophobicContact CD1-CD1 4.31Å; I176-L239 HydrophobicContact CG2-CD1 4.14Å; I176-L243 HydrophobicContact CG2-CD1 4.23Å; I176-L243 HydrophobicContact CG2-CD2 4.37Å
177	E	95.1	Very high	92.9	Very high	55 Å²	55	45.6 Å²	45.6	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-47.5	178	175.4	170.4	-119.1	0	0	111.3	F173 T174 E179 F180 C181 L246	F173-E177 HydrophobicContact CE1-CB 4.11Å; F173-E177 HydrophobicContact CE1-CG 4.39Å; F173-E177 WeakPolarHBondContact CE1-OE1 3.33Å; F173-E177 WeakPolarHBondContact CE1-OE2 3.34Å; F173-E177 HydrophobicContact CZ-CB 4.08Å; F173-E177 HydrophobicContact CZ-CG 4.38Å; F173-E177 WeakPolarHBondContact O-CB 3.2Å; F173-E177 PolarHBondContact O-N 2.92Å; T174-E177 PolarHBondContact O-N 3.33Å; E177-E179 PolarHBondContact O-N 3.48Å; E177-F180 PolarHBondContact O-N 3.01Å; E177-C181 WeakPolarHBondContact O-CB 3.48Å; E177-C181 PolarHBondContact O-N 3.09Å; E177-C181 PolarHBondContact O-SG 2.88Å; E177-L246 HydrophobicContact CG-CD1 3.78Å
178	D	94.2	Very high	93	Very high	90 Å²	90	39.3 Å²	39.3	48%	0.481	21%	0.21	S	C	.	.	H	α-helix	trans	-58	-46.7	176.7	-72.6	-19.9	0	0	0	112	T174 Q182	T174-D178 WeakPolarHBondContact O-CB 3.4Å; T174-D178 PolarHBondContact O-N 3.33Å; D178-Q182 WeakPolarHBondContact O-CB 3.36Å; D178-Q182 PolarHBondContact O-N 3.21Å
179	E	93.3	Very high	93.1	Very high	15 Å²	15	41.3 Å²	41.3	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-38.9	178.1	-175.2	174.6	174.8	0	0	111.5	I146 R171 S175 I176 E177 Q182 L183	I146-E179 HydrophobicContact CG1-CG 4.41Å; R171-E179 IonicContact CZ-OE2 2.65Å; R171-E179 IonicContact NH1-OE2 3.74Å; R171-E179 PolarHBondContact NH1-OE2 2.94Å; R171-E179 IonicContact NH2-OE2 3.35Å; R171-E179 PolarHBondContact NH2-OE2 3.19Å; S175-E179 PolarHBondContact O-N 3.07Å; I176-E179 PolarHBondContact O-N 3.48Å; E177-E179 PolarHBondContact O-N 3.48Å; E179-Q182 PolarHBondContact O-N 3.02Å; E179-L183 HydrophobicContact CG-CD1 4.02Å; E179-L183 WeakPolarHBondContact O-CB 3.39Å; E179-L183 WeakPolarHBondContact O-CD1 3.47Å; E179-L183 WeakPolarHBondContact O-CG 3.34Å; E179-L183 PolarHBondContact O-N 2.88Å
180	F	95	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-43.5	179	-173.3	-90.6	0	0	0	112.4	I146 I176 E177 L183 R184 V191 L243 L246 A247 M250 I252	I146-F180 HydrophobicContact CD1-CB 3.97Å; I146-F180 HydrophobicContact CD1-CD2 3.84Å; I146-F180 HydrophobicContact CD1-CG 4.4Å; I176-F180 VanDerWaalsContact O-CB 3.27Å; I176-F180 WeakPolarHBondContact O-CB 3.46Å; I176-F180 PolarHBondContact O-N 2.92Å; E177-F180 PolarHBondContact O-N 3.01Å; F180-L183 WeakPolarHBondContact O-CB 3.09Å; F180-L183 PolarHBondContact O-N 2.98Å; F180-R184 PolarHBondContact O-N 2.97Å; F180-V191 HydrophobicContact CD2-CG1 4.39Å; F180-V191 HydrophobicContact CD2-CG2 4.45Å; F180-V191 HydrophobicContact CE2-CB 4.36Å; F180-V191 HydrophobicContact CE2-CG1 4.47Å; F180-V191 HydrophobicContact CE2-CG2 4.46Å; F180-L243 HydrophobicContact CB-CD2 3.92Å; F180-L243 HydrophobicContact CD1-CD2 3.9Å; F180-L243 HydrophobicContact CD2-CB 4.47Å; F180-L243 HydrophobicContact CD2-CD1 4.15Å; F180-L243 HydrophobicContact CD2-CD2 3.91Å; F180-L243 HydrophobicContact CD2-CG 4.4Å; F180-L243 HydrophobicContact CE1-CB 4.26Å; F180-L243 HydrophobicContact CE1-CD2 4.31Å; F180-L243 WeakPolarHBondContact CE1-O 3.45Å; F180-L243 HydrophobicContact CE2-CB 4.03Å; F180-L243 HydrophobicContact CE2-CD1 4.25Å; F180-L243 HydrophobicContact CE2-CD2 4.32Å; F180-L243 HydrophobicContact CE2-CG 4.43Å; F180-L243 HydrophobicContact CG-CD2 3.67Å; F180-L243 HydrophobicContact CZ-CB 3.91Å; F180-L243 HydrophobicContact CZ-CD2 4.5Å; F180-L243 VanDerWaalsContact CZ-O 3.27Å; F180-L243 WeakPolarHBondContact CZ-O 3.39Å; F180-L246 HydrophobicContact CD1-CB 4.24Å; F180-L246 HydrophobicContact CE1-CB 4.04Å; F180-A247 HydrophobicContact CE1-CB 3.53Å; F180-A247 HydrophobicContact CZ-CB 4Å; F180-M250 HydrophobicContact CD1-CE 3.76Å; F180-M250 HydrophobicContact CD2-CE 3.69Å; F180-M250 HydrophobicContact CE1-CE 3.36Å; F180-M250 HydrophobicContact CE2-CE 3.29Å; F180-M250 HydrophobicContact CG-CE 3.92Å; F180-M250 HydrophobicContact CZ-CE 3.12Å; F180-I252 HydrophobicContact CE2-CD1 4.14Å; F180-I252 HydrophobicContact CE2-CG1 4.11Å; F180-I252 HydrophobicContact CZ-CD1 3.88Å; F180-I252 HydrophobicContact CZ-CG1 4.12Å
181	C	95.2	Very high	93.2	Very high	25 Å²	25	39.6 Å²	39.6	17%	0.169	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-43.5	174.8	-74.9	0	0	0	0	111.3	E177 L183 R184 D185	E177-C181 WeakPolarHBondContact O-CB 3.48Å; E177-C181 PolarHBondContact O-N 3.09Å; E177-C181 PolarHBondContact O-SG 2.88Å; C181-L183 VanDerWaalsContact C-N 3.33Å; C181-L183 PolarHBondContact O-N 2.64Å; C181-R184 WeakPolarHBondContact O-CB 3.43Å; C181-R184 PolarHBondContact O-N 3.3Å; C181-D185 PolarHBondContact O-N 3.5Å
182	Q	92	Very high	93.3	Very high	59 Å²	59	39.4 Å²	39.4	28%	0.276	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-45	174.1	-179.7	-178.2	-10.2	0	0	111.6	D178 E179 R184 D185 E186	D178-Q182 WeakPolarHBondContact O-CB 3.36Å; D178-Q182 PolarHBondContact O-N 3.21Å; E179-Q182 PolarHBondContact O-N 3.02Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-D185 PolarHBondContact O-N 3.47Å; Q182-D185 VanDerWaalsContact O-N 3.16Å; Q182-E186 HydrophobicContact CG-CG 4.45Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.2Å; Q182-E186 PolarHBondContact NE2-OE1 3.07Å; Q182-E186 WeakPolarHBondContact O-CG 3.09Å; Q182-E186 PolarHBondContact O-N 2.91Å
183	L	92.5	Very high	93.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-42.5	177.9	-77.8	166.3	0	0	0	112.4	A144 I146 E179 F180 C181 E186 G187 V188 V191	A144-L183 HydrophobicContact CB-CD1 4.06Å; A144-L183 HydrophobicContact CB-CD2 3.32Å; A144-L183 HydrophobicContact CB-CG 4.36Å; I146-L183 HydrophobicContact CD1-CD1 3.46Å; I146-L183 VanDerWaalsContact CD1-CD1 3.46Å; I146-L183 HydrophobicContact CG1-CD1 3.52Å; E179-L183 HydrophobicContact CG-CD1 4.02Å; E179-L183 WeakPolarHBondContact O-CB 3.39Å; E179-L183 WeakPolarHBondContact O-CD1 3.47Å; E179-L183 WeakPolarHBondContact O-CG 3.34Å; E179-L183 PolarHBondContact O-N 2.88Å; F180-L183 WeakPolarHBondContact O-CB 3.09Å; F180-L183 PolarHBondContact O-N 2.98Å; C181-L183 VanDerWaalsContact C-N 3.33Å; C181-L183 PolarHBondContact O-N 2.64Å; L183-E186 PolarHBondContact O-N 2.86Å; L183-G187 PolarHBondContact O-N 3.31Å; L183-V188 HydrophobicContact CB-CB 4.26Å; L183-V188 HydrophobicContact CB-CG2 4.34Å; L183-V188 HydrophobicContact CD2-CB 4.3Å; L183-V188 HydrophobicContact CD2-CG1 4.47Å; L183-V188 HydrophobicContact CD2-CG2 3.69Å; L183-V188 WeakPolarHBondContact O-CB 3.28Å; L183-V188 WeakPolarHBondContact O-CG2 3.34Å; L183-V188 PolarHBondContact O-N 2.84Å; L183-V191 HydrophobicContact CD1-CG2 4.08Å
184	R	93.3	Very high	93.5	Very high	92 Å²	92	37.7 Å²	37.7	35%	0.347	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-47.9	173.2	176.8	-159.4	67.6	-156.6	-5	110.9	F180 C181 Q182 E186 G187 L246 A247 M250	F180-R184 PolarHBondContact O-N 2.97Å; C181-R184 WeakPolarHBondContact O-CB 3.43Å; C181-R184 PolarHBondContact O-N 3.3Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 3.35Å; R184-E186 VanDerWaalsContact C-N 3.28Å; R184-E186 PolarHBondContact O-N 3.25Å; R184-G187 PolarHBondContact O-N 2.74Å; R184-L246 PolarHBondContact NH1-O 3.4Å; R184-L246 VanDerWaalsContact NH1-O 3.08Å; R184-A247 HydrophobicContact CB-CB 4.34Å; R184-A247 HydrophobicContact CG-CB 4.02Å; R184-M250 HydrophobicContact CB-CE 4.21Å
185	D	92.7	Very high	93.4	Very high	114 Å²	114	34 Å²	34	61%	0.61	18%	0.177	S	C	*	.	H	α-helix	trans	-69	-27.8	-175.8	-61.1	-14.1	0	0	0	112.3	C181 Q182 G187	C181-D185 PolarHBondContact O-N 3.5Å; Q182-D185 PolarHBondContact O-N 3.47Å; Q182-D185 VanDerWaalsContact O-N 3.16Å; D185-G187 PolarHBondContact O-N 3.34Å
186	E	90.4	Very high	93.2	Very high	97 Å²	97	34.6 Å²	34.6	45%	0.453	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.2	170.8	-69.7	171.9	-172.8	0	0	113.8	R137 Q182 L183 R184	R137-E186 IonicContact CZ-OE2 2.76Å; R137-E186 IonicContact NH1-OE2 2.63Å; R137-E186 PolarHBondContact NH1-OE2 3.27Å; R137-E186 IonicContact NH2-OE1 2.75Å; R137-E186 IonicContact NH2-OE2 2.99Å; R137-E186 PolarHBondContact NH2-OE2 3.45Å; Q182-E186 HydrophobicContact CG-CG 4.45Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.2Å; Q182-E186 PolarHBondContact NE2-OE1 3.07Å; Q182-E186 WeakPolarHBondContact O-CG 3.09Å; Q182-E186 PolarHBondContact O-N 2.91Å; L183-E186 PolarHBondContact O-N 2.86Å; R184-E186 VanDerWaalsContact C-N 3.28Å; R184-E186 PolarHBondContact O-N 3.25Å
187	G	90	Very high	93	Very high	39 Å²	39	34.7 Å²	34.7	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	16.1	176.5	0	0	0	0	0	115.1	L183 R184 D185	L183-G187 PolarHBondContact O-N 3.31Å; R184-G187 PolarHBondContact O-N 2.74Å; D185-G187 PolarHBondContact O-N 3.34Å
188	V	91.9	Very high	93	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.036	17%	0.166	C	C	.	.			trans	-63.2	138.1	172.6	178.4	0	0	0	0	109.9	A144 L183 E190 V191 M250	A144-V188 HydrophobicContact CB-CG1 3.95Å; A144-V188 HydrophobicContact CB-CG2 4.46Å; L183-V188 HydrophobicContact CB-CB 4.26Å; L183-V188 HydrophobicContact CB-CG2 4.34Å; L183-V188 HydrophobicContact CD2-CB 4.3Å; L183-V188 HydrophobicContact CD2-CG1 4.47Å; L183-V188 HydrophobicContact CD2-CG2 3.69Å; L183-V188 WeakPolarHBondContact O-CB 3.28Å; L183-V188 WeakPolarHBondContact O-CG2 3.34Å; L183-V188 PolarHBondContact O-N 2.84Å; V188-E190 WeakPolarHBondContact CG1-O 3.16Å; V188-V191 HydrophobicContact CG1-CG2 4.15Å; V188-M250 HydrophobicContact CB-SD 4.3Å; V188-M250 HydrophobicContact CG1-SD 4.25Å
189	K	92.7	Very high	93	Very high	88 Å²	88	28.2 Å²	28.2	38%	0.383	15%	0.145	S	C	.	.			trans	-112.8	-21.5	-173.9	-59.5	-62.3	-174.2	178.3	0	113.7	A142 R251 F392 F436	A142-K189 PolarHBondContact O-N 2.8Å; K189-R251 PolarHBondContact O-N 2.72Å; K189-F392 HydrophobicContact CB-CE2 3.44Å; K189-F392 VanDerWaalsContact CB-CE2 3.44Å; K189-F392 HydrophobicContact CB-CZ 3.64Å; K189-F392 HydrophobicContact CG-CE2 4.27Å; K189-F436 HydrophobicContact CB-CE2 4.22Å; K189-F436 HydrophobicContact CB-CZ 4.41Å
190	E	94.4	Very high	93	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.5	171.9	-172.1	177.7	114.8	0	0	111	A142 F143 A144 V188 R251 R253 F392	A142-E190 PolarHBondContact O-N 2.8Å; F143-E190 CarbonylContact C-O 3.51Å; F143-E190 WeakPolarHBondContact CA-O 3.44Å; F143-E190 HydrophobicContact CB-CB 4.16Å; F143-E190 WeakPolarHBondContact CB-O 3.44Å; A144-E190 PolarHBondContact N-O 2.71Å; V188-E190 WeakPolarHBondContact CG1-O 3.16Å; E190-R251 CarbonylContact C-O 3.55Å; E190-R251 VanDerWaalsContact CA-O 3.31Å; E190-R251 WeakPolarHBondContact CA-O 3.26Å; E190-R251 HydrophobicContact CB-CB 4.28Å; E190-R251 HydrophobicContact CG-CB 4.12Å; E190-R251 HydrophobicContact CG-CG 4.1Å; E190-R251 WeakPolarHBondContact OE2-CD 3.19Å; E190-R251 IonicContact OE2-NE 3.11Å; E190-R251 IonicContact OE2-NH1 2.97Å; E190-R251 PolarHBondContact OE2-NH1 3.42Å; E190-R253 IonicContact OE1-CZ 3.56Å; E190-R253 IonicContact OE1-NE 3.99Å; E190-R253 PolarHBondContact OE1-NE 3.33Å; E190-R253 VanDerWaalsContact OE1-NE 3.11Å; E190-R253 IonicContact OE1-NH2 3.35Å; E190-R253 IonicContact OE2-NE 3.73Å; E190-R253 IonicContact OE2-NH2 3.1Å; E190-R253 PolarHBondContact OE2-NH2 3.07Å; E190-F392 HydrophobicContact CB-CD1 3.83Å; E190-F392 HydrophobicContact CB-CE1 3.44Å; E190-F392 VanDerWaalsContact CB-CE1 3.44Å; E190-F392 HydrophobicContact CB-CZ 4.04Å; E190-F392 HydrophobicContact CG-CD1 4.49Å; E190-F392 HydrophobicContact CG-CE1 4.48Å
191	V	94.5	Very high	92.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.1	170.9	167.6	0	0	0	0	109.3	A144 I146 F180 L183 V188 L193 M250 R251 R253	A144-V191 CarbonylContact O-C 3.49Å; A144-V191 WeakPolarHBondContact O-CA 3.39Å; I146-V191 HydrophobicContact CB-CG1 4.3Å; I146-V191 HydrophobicContact CD1-CG1 3.57Å; I146-V191 HydrophobicContact CD1-CG2 4.44Å; I146-V191 HydrophobicContact CG1-CG1 3.69Å; F180-V191 HydrophobicContact CD2-CG1 4.39Å; F180-V191 HydrophobicContact CD2-CG2 4.45Å; F180-V191 HydrophobicContact CE2-CB 4.36Å; F180-V191 HydrophobicContact CE2-CG1 4.47Å; F180-V191 HydrophobicContact CE2-CG2 4.46Å; L183-V191 HydrophobicContact CD1-CG2 4.08Å; V188-V191 HydrophobicContact CG1-CG2 4.15Å; V191-L193 HydrophobicContact CG1-CD2 3.96Å; V191-M250 HydrophobicContact CG2-CE 3.92Å; V191-M250 HydrophobicContact CG2-CG 4.42Å; V191-M250 HydrophobicContact CG2-SD 3.66Å; V191-R251 PolarHBondContact N-O 2.61Å; V191-R253 PolarHBondContact O-N 2.61Å
192	T	94.8	Very high	92.8	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.3	168.9	-59	0	0	0	0	110.9	A144 Y145 I146 L194 R253 T255	A144-T192 PolarHBondContact O-N 2.71Å; Y145-T192 VanDerWaalsContact CA-O 3.29Å; Y145-T192 WeakPolarHBondContact CA-O 3.45Å; Y145-T192 HydrophobicContact CD1-CG2 4.02Å; Y145-T192 HydrophobicContact CE1-CG2 4.08Å; I146-T192 PolarHBondContact N-O 3.11Å; T192-L194 HydrophobicContact CG2-CD2 3.92Å; T192-R253 CarbonylContact C-O 3.54Å; T192-R253 VanDerWaalsContact CA-O 3.25Å; T192-R253 WeakPolarHBondContact CA-O 3.06Å; T192-R253 HydrophobicContact CG2-CB 4.4Å; T192-R253 HydrophobicContact CG2-CG 4.33Å; T192-T255 HydrophobicContact CG2-CG2 4.28Å
193	L	96.4	Very high	92.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.3	173.2	-50.8	-178	0	0	0	110.2	I146 I148 V191 F236 L239 L240 L243 I252 R253 F254 T255	I146-L193 HydrophobicContact CB-CD2 4.21Å; I146-L193 CarbonylContact O-C 3.6Å; I146-L193 WeakPolarHBondContact O-CA 3.4Å; I148-L193 HydrophobicContact CD1-CB 4.26Å; I148-L193 HydrophobicContact CD1-CD1 4.49Å; I148-L193 HydrophobicContact CG2-CB 4.18Å; I148-L193 HydrophobicContact CG2-CD2 3.9Å; I148-L193 HydrophobicContact CG2-CG 4.43Å; V191-L193 HydrophobicContact CG1-CD2 3.96Å; L193-F236 HydrophobicContact CD1-CE2 4.36Å; L193-L239 HydrophobicContact CD1-CD2 4.48Å; L193-L240 HydrophobicContact CD1-CD2 3.97Å; L193-L243 HydrophobicContact CD1-CD1 4.19Å; L193-L243 HydrophobicContact CD2-CD1 4.07Å; L193-I252 HydrophobicContact CD1-CG2 4.13Å; L193-I252 HydrophobicContact CG-CG2 4.24Å; L193-R253 PolarHBondContact N-O 3.29Å; L193-F254 HydrophobicContact CB-CB 4.03Å; L193-T255 PolarHBondContact O-N 2.81Å
194	L	93.4	Very high	92.3	Very high	7 Å²	7	29 Å²	29	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146	-175.5	-60.5	-177	0	0	0	111.8	T20 P23 Y145 I146 S147 I148 T192 T255	T20-L194 HydrophobicContact CG2-CD2 4.48Å; P23-L194 HydrophobicContact CB-CD1 4.29Å; P23-L194 HydrophobicContact CG-CD1 3.83Å; Y145-L194 HydrophobicContact CD1-CD1 3.74Å; Y145-L194 HydrophobicContact CD1-CD2 3.95Å; Y145-L194 HydrophobicContact CD1-CG 3.96Å; Y145-L194 HydrophobicContact CG-CD1 3.95Å; I146-L194 PolarHBondContact O-N 3.18Å; S147-L194 WeakPolarHBondContact CA-O 3.11Å; I148-L194 WeakPolarHBondContact CG1-O 3.29Å; I148-L194 PolarHBondContact N-O 2.9Å; T192-L194 HydrophobicContact CG2-CD2 3.92Å; L194-T255 HydrophobicContact CD2-CG2 3.64Å
195	G	91.2	Very high	91.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	17%	0.17	C	C	.	.			trans	-177.1	174.4	177.5	0	0	0	0	0	110.1	T20	T20-G195 VanDerWaalsContact CB-O 3.25Å; T20-G195 WeakPolarHBondContact CB-O 3.48Å; T20-G195 VanDerWaalsContact CG2-O 3.22Å; T20-G195 WeakPolarHBondContact CG2-O 3.4Å; T20-G195 PolarHBondContact OG1-O 2.76Å
196	Q	89	Confident	89.8	Confident	28 Å²	28	25.3 Å²	25.3	13%	0.131	15%	0.152	C	C	.	.	S	Bend	trans	-83.1	-23.7	172.9	-80.2	68.9	71.7	0	0	112.4	T20 G151 C152 V161	T20-Q196 PolarHBondContact O-NE2 2.65Å; T20-Q196 PolarHBondContact OG1-NE2 2.85Å; G151-Q196 VanDerWaalsContact O-CB 3.29Å; G151-Q196 WeakPolarHBondContact O-CB 3.47Å; C152-Q196 HydrophobicContact CB-CB 4.23Å; V161-Q196 HydrophobicContact CG1-CB 4Å; V161-Q196 HydrophobicContact CG1-CG 3.6Å
197	N	91.5	Very high	88.1	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.011	15%	0.151	C	C	.	.	S	Bend	trans	-148.2	70.4	171.4	-174.5	18.2	0	0	0	110.4	N154 N199 S200 S256 H258 D261	N154-N197 PolarHBondContact ND2-ND2 3.19Å; N197-N199 PolarHBondContact O-N 2.77Å; N197-N199 PolarHBondContact OD1-OD1 2.86Å; N197-S200 WeakPolarHBondContact CB-OG 3.37Å; N197-S200 VanDerWaalsContact CG-OG 3.29Å; N197-S200 VanDerWaalsContact ND2-CB 3.32Å; N197-S200 WeakPolarHBondContact ND2-CB 3.3Å; N197-S200 PolarHBondContact ND2-OG 3.14Å; N197-S200 PolarHBondContact O-N 2.73Å; N197-S200 PolarHBondContact O-OG 3.29Å; N197-S256 WeakPolarHBondContact CA-O 2.98Å; N197-H258 WeakPolarHBondContact OD1-CB 3.31Å; N197-H258 PolarHBondContact OD1-N 2.86Å; N197-H258 VanDerWaalsContact OD1-N 3.09Å; N197-D261 PolarHBondContact ND2-OD2 3.41Å
198	V	94.2	Very high	86.2	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-52.4	-35.6	-164.1	-69.7	0	0	0	0	115.1	I148 M149 S200 Y201 F236 F254 T255 S256 P257	I148-V198 HydrophobicContact CD1-CB 4.17Å; I148-V198 HydrophobicContact CD1-CG1 4.36Å; I148-V198 HydrophobicContact CG1-CG1 4.49Å; M149-V198 VanDerWaalsContact SD-CA 3.55Å; V198-S200 VanDerWaalsContact C-N 3.34Å; V198-Y201 VanDerWaalsContact O-CB 3.28Å; V198-Y201 WeakPolarHBondContact O-CB 3.15Å; V198-Y201 PolarHBondContact O-N 3.05Å; V198-F236 HydrophobicContact CB-CE2 4.39Å; V198-F236 HydrophobicContact CG2-CZ 4.46Å; V198-F236 WeakPolarHBondContact O-CD2 3.24Å; V198-F236 WeakPolarHBondContact O-CE2 3.39Å; V198-F254 HydrophobicContact CG2-CB 4.19Å; V198-F254 HydrophobicContact CG2-CD2 3.91Å; V198-F254 HydrophobicContact CG2-CG 4.45Å; V198-T255 WeakPolarHBondContact CG1-O 3.15Å; V198-T255 WeakPolarHBondContact CG2-O 3.14Å; V198-S256 PolarHBondContact N-O 2.73Å; V198-P257 HydrophobicContact CG2-CB 3.99Å
199	N	94.2	Very high	84.4	Confident	9 Å²	9	30.5 Å²	30.5	5%	0.048	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-85.4	-2.2	-175.6	61.7	-28.3	0	0	0	114.3	N197 Y201 F236 P257 H258 D261 F262	N197-N199 PolarHBondContact O-N 2.77Å; N197-N199 PolarHBondContact OD1-OD1 2.86Å; N199-Y201 VanDerWaalsContact C-N 3.29Å; N199-F236 HydrophobicContact CB-CD1 3.56Å; N199-F236 HydrophobicContact CB-CE1 3.74Å; N199-F236 HydrophobicContact CB-CG 4.14Å; N199-F236 HydrophobicContact CB-CZ 4.46Å; N199-P257 HydrophobicContact CB-CB 4.08Å; N199-P257 WeakPolarHBondContact ND2-CB 3.14Å; N199-P257 WeakPolarHBondContact OD1-CA 3.3Å; N199-P257 WeakPolarHBondContact OD1-CB 3.4Å; N199-H258 PolarHBondContact ND2-O 3.32Å; N199-H258 PolarHBondContact OD1-N 3.11Å; N199-D261 HydrophobicContact CB-CB 4.18Å; N199-D261 WeakPolarHBondContact CB-O 3.47Å; N199-D261 VanDerWaalsContact CG-CB 3.46Å; N199-D261 VanDerWaalsContact ND2-CB 3.33Å; N199-D261 WeakPolarHBondContact ND2-CB 2.97Å; N199-D261 PolarHBondContact ND2-O 3.17Å; N199-F262 WeakPolarHBondContact ND2-CD2 3.45Å; N199-F262 VanDerWaalsContact ND2-CE2 3.34Å; N199-F262 WeakPolarHBondContact ND2-CE2 3.22Å
200	S	93	Very high	82.5	Confident	18 Å²	18	28.4 Å²	28.4	13%	0.126	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-88	5.8	163.6	63.8	0	0	0	0	113.5	E168 N197 V198 C202	E168-S200 WeakPolarHBondContact OE1-CB 3.32Å; E168-S200 PolarHBondContact OE1-OG 2.98Å; E168-S200 PolarHBondContact OE2-OG 3.11Å; N197-S200 WeakPolarHBondContact CB-OG 3.37Å; N197-S200 VanDerWaalsContact CG-OG 3.29Å; N197-S200 VanDerWaalsContact ND2-CB 3.32Å; N197-S200 WeakPolarHBondContact ND2-CB 3.3Å; N197-S200 PolarHBondContact ND2-OG 3.14Å; N197-S200 PolarHBondContact O-N 2.73Å; N197-S200 PolarHBondContact O-OG 3.29Å; V198-S200 VanDerWaalsContact C-N 3.34Å; S200-C202 PolarHBondContact O-N 2.92Å
201	Y	94.5	Very high	80.6	Confident	3 Å²	3	30.2 Å²	30.2	1%	0.012	21%	0.205	C	C	.	.			trans	-50.5	126.1	177	175.2	-84.9	0	0	0	111.7	I148 M149 S170 R171 I176 V198 N199 N203 I234 R235 F236 L239	I148-Y201 HydrophobicContact CB-CD2 4.18Å; I148-Y201 HydrophobicContact CB-CE2 4.38Å; I148-Y201 HydrophobicContact CD1-CD2 4.15Å; I148-Y201 HydrophobicContact CD1-CG 4.37Å; I148-Y201 HydrophobicContact CG1-CD2 4.32Å; I148-Y201 WeakPolarHBondContact O-CD2 3.42Å; I148-Y201 WeakPolarHBondContact O-CE2 3.25Å; M149-Y201 HydrophobicContact CB-CD2 4.48Å; S170-Y201 WeakPolarHBondContact OG-CA 3.49Å; S170-Y201 WeakPolarHBondContact OG-CD2 2.86Å; R171-Y201 WeakPolarHBondContact O-CE2 3.11Å; R171-Y201 PolarHBondContact O-OH 3.12Å; R171-Y201 VanDerWaalsContact O-OH 3.05Å; I176-Y201 HydrophobicContact CD1-CE2 3.6Å; V198-Y201 VanDerWaalsContact O-CB 3.28Å; V198-Y201 WeakPolarHBondContact O-CB 3.15Å; V198-Y201 PolarHBondContact O-N 3.05Å; N199-Y201 VanDerWaalsContact C-N 3.29Å; Y201-N203 HydrophobicContact CE1-CB 4.19Å; Y201-N203 WeakPolarHBondContact OH-CB 3.22Å; Y201-I234 HydrophobicContact CE1-CG2 4.35Å; Y201-I234 VanDerWaalsContact CE1-O 3.3Å; Y201-I234 WeakPolarHBondContact CE1-O 3.32Å; Y201-R235 CarbonylContact O-C 3.53Å; Y201-R235 WeakPolarHBondContact O-CA 3.45Å; Y201-F236 PolarHBondContact O-N 3.34Å; Y201-L239 HydrophobicContact CD1-CB 4.12Å; Y201-L239 HydrophobicContact CD1-CD2 3.86Å; Y201-L239 HydrophobicContact CD2-CD2 4.19Å; Y201-L239 HydrophobicContact CE1-CB 3.98Å; Y201-L239 HydrophobicContact CE1-CD1 4.42Å; Y201-L239 HydrophobicContact CE1-CD2 3.91Å; Y201-L239 HydrophobicContact CE1-CG 4.33Å; Y201-L239 HydrophobicContact CE2-CD2 4.23Å; Y201-L239 HydrophobicContact CG-CD2 4Å
202	C	92.8	Very high	78.8	Confident	17 Å²	17	37.3 Å²	37.3	12%	0.115	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	108	173.5	-172.7	0	0	0	0	109.6	S170 S200 P230 I234	S170-C202 WeakPolarHBondContact CB-O 3.13Å; S170-C202 PolarHBondContact OG-N 3.38Å; S170-C202 PolarHBondContact OG-O 3.49Å; S200-C202 PolarHBondContact O-N 2.92Å; C202-P230 HydrophobicContact CB-CG 4.35Å; C202-I234 CarbonylContact C-O 3.53Å; C202-I234 VanDerWaalsContact CA-O 3.31Å; C202-I234 WeakPolarHBondContact CA-O 3.25Å
203	N	89.2	Confident	76.7	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.1	176	177.1	-120	0	0	0	111.3	Y201 S205 S206 G233 I234	Y201-N203 HydrophobicContact CE1-CB 4.19Å; Y201-N203 WeakPolarHBondContact OH-CB 3.22Å; N203-S205 PolarHBondContact ND2-OG 3.19Å; N203-S206 PolarHBondContact OD1-OG 2.9Å; N203-G233 CarbonylContact O-C 3.46Å; N203-G233 WeakPolarHBondContact O-CA 3.36Å; N203-I234 HydrophobicContact CB-CB 4.46Å; N203-I234 PolarHBondContact N-O 2.89Å; N203-I234 PolarHBondContact O-N 3.46Å
204	T	84.3	Confident	74.8	Confident	76 Å²	76	41.4 Å²	41.4	47%	0.466	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-79.4	-20.5	-180	51.9	0	0	0	0	113.8	S206 P230 V232	T204-S206 PolarHBondContact O-N 3.15Å; T204-S206 VanDerWaalsContact O-N 3.16Å; T204-P230 HydrophobicContact CG2-CB 3.67Å; T204-P230 HydrophobicContact CG2-CG 4.28Å; T204-V232 VanDerWaalsContact CG2-O 3.23Å; T204-V232 WeakPolarHBondContact CG2-O 3.27Å
205	S	72.8	Confident	73.1	Confident	93 Å²	93	45.8 Å²	45.8	65%	0.65	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64	-21.2	-174.5	-46.1	0	0	0	0	113.8	N203	N203-S205 PolarHBondContact ND2-OG 3.19Å
206	S	59.9	Low	71.5	Confident	34 Å²	34	50 Å²	50	24%	0.238	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-111.1	48.2	-176.1	-44	0	0	0	0	110.9	N203 T204 S208	N203-S206 PolarHBondContact OD1-OG 2.9Å; T204-S206 PolarHBondContact O-N 3.15Å; T204-S206 VanDerWaalsContact O-N 3.16Å; S206-S208 PolarHBondContact O-N 2.75Å
207	A	54.6	Low	70.4	Confident	51 Å²	51	52.9 Å²	52.9	42%	0.421	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-61.5	-5.2	-174.3	0	0	0	0	0	114.9	S209 S210 V232	A207-S209 PolarHBondContact O-N 2.86Å; A207-S210 PolarHBondContact O-OG 3.24Å; A207-V232 HydrophobicContact CB-CG1 3.92Å
208	S	51.7	Low	69.6	Low	122 Å²	122	53.7 Å²	53.7	85%	0.853	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.1	-10.9	-178.8	-40.5	0	0	0	0	114.7	S206	S206-S208 PolarHBondContact O-N 2.75Å
209	S	53.8	Low	69.2	Low	79 Å²	79	56 Å²	56	55%	0.552	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-124.6	30.3	-177.3	-51	0	0	0	0	114.3	A207 S211	A207-S209 PolarHBondContact O-N 2.86Å; S209-S211 PolarHBondContact O-N 3.09Å
210	S	52.8	Low	69	Low	44 Å²	44	55.9 Å²	55.9	31%	0.308	36%	0.364	S	S	.	.			trans	-64	125.4	-167.1	-56.9	0	0	0	0	114.8	A207 V232	A207-S210 PolarHBondContact O-OG 3.24Å; S210-V232 WeakPolarHBondContact OG-CG1 3.26Å
211	S	55.1	Low	68.8	Low	38 Å²	38	59.3 Å²	59.3	27%	0.266	39%	0.394	S	S	.	.			trans	-79.8	114	156.5	49	0	0	0	0	109	S209 C213	S209-S211 PolarHBondContact O-N 3.09Å; S211-C213 PolarHBondContact O-N 3.1Å
212	N	56.3	Low	68.6	Low	150 Å²	150	62.1 Å²	62.1	80%	0.802	42%	0.423	S	S	*	.			trans	-76.1	86.7	174.1	-82.7	-13.3	0	0	0	109.2
213	C	50.4	Low	68.6	Low	26 Å²	26	62.1 Å²	62.1	18%	0.176	42%	0.422	C	S	.	.			trans	-108.2	133.1	174.3	-32.6	0	0	0	0	110.7	S211 R218 R235	S211-C213 PolarHBondContact O-N 3.1Å; C213-R218 PolarHBondContact O-NE 3.09Å; C213-R218 PolarHBondContact O-NH2 2.9Å; C213-R235 PolarHBondContact SG-NH1 3.2Å; C213-R235 VanDerWaalsContact SG-NH1 3.38Å
214	S	56.3	Low	68.7	Low	69 Å²	69	65.4 Å²	65.4	48%	0.483	44%	0.444	S	S	.	.			trans	-51.1	153	174.1	-21.8	0	0	0	0	111.4	S216 D217	S214-S216 PolarHBondContact O-N 2.81Å; S214-D217 WeakPolarHBondContact CB-OD2 3.32Å; S214-D217 PolarHBondContact O-N 3Å; S214-D217 PolarHBondContact OG-OD2 2.95Å
215	S	57.3	Low	68.7	Low	98 Å²	98	63.9 Å²	63.9	69%	0.685	44%	0.437	S	S	*	.	S	Bend	trans	-60.6	-31.3	178.9	46.8	0	0	0	0	113.5
216	S	57.8	Low	69.1	Low	91 Å²	91	65.6 Å²	65.6	64%	0.636	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-70	-35	-178.8	-41.2	0	0	0	0	112.6	S214 R218	S214-S216 PolarHBondContact O-N 2.81Å; S216-R218 PolarHBondContact O-N 3.23Å
217	D	65.5	Low	69.9	Low	88 Å²	88	66 Å²	66	47%	0.471	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-73.4	0.4	-174.8	-56.7	-32.4	0	0	0	113.1	S214	S214-D217 WeakPolarHBondContact CB-OD2 3.32Å; S214-D217 PolarHBondContact O-N 3Å; S214-D217 PolarHBondContact OG-OD2 2.95Å
218	R	75.5	Confident	70.8	Confident	19 Å²	19	73.3 Å²	73.3	7%	0.072	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-101	-21.4	-173	-60.7	-179.1	-178.1	-139.6	2.1	113.7	C213 S216 P230 S231	C213-R218 PolarHBondContact O-NE 3.09Å; C213-R218 PolarHBondContact O-NH2 2.9Å; S216-R218 PolarHBondContact O-N 3.23Å; R218-P230 PolarHBondContact NH1-O 3.09Å; R218-S231 VanDerWaalsContact NH2-C 3.35Å; R218-S231 PolarHBondContact NH2-O 3.46Å
219	L	86.5	Confident	71.8	Confident	49 Å²	49	70.4 Å²	70.4	26%	0.257	45%	0.446	S	S	.	.	S	Bend	trans	-98	148.7	177.9	-60	-179	0	0	0	109.2	K260	L219-K260 CarbonylContact C-O 3.54Å; L219-K260 VanDerWaalsContact CA-O 3.29Å; L219-K260 WeakPolarHBondContact CA-O 3.21Å; L219-K260 HydrophobicContact CD2-CB 4.41Å; L219-K260 HydrophobicContact CD2-CD 4.37Å; L219-K260 HydrophobicContact CD2-CG 4.12Å
220	S	88.2	Confident	72.8	Confident	5 Å²	5	69.5 Å²	69.5	4%	0.035	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-57.8	142.5	165.3	-56.2	0	0	0	0	110	G222 F223 P259 K260 F262	S220-G222 PolarHBondContact O-N 3.35Å; S220-F223 VanDerWaalsContact CB-CD2 3.5Å; S220-F223 WeakPolarHBondContact O-CB 3.5Å; S220-F223 WeakPolarHBondContact O-CD2 3.35Å; S220-F223 PolarHBondContact O-N 3.29Å; S220-F223 VanDerWaalsContact O-N 3.08Å; S220-P259 PolarHBondContact OG-O 3.44Å; S220-K260 PolarHBondContact N-O 3.33Å; S220-K260 PolarHBondContact OG-O 3.13Å; S220-F262 WeakPolarHBondContact OG-CA 3.3Å; S220-F262 PolarHBondContact OG-N 3.46Å; S220-F262 PolarHBondContact OG-O 3.36Å
221	A	88.9	Confident	73.6	Confident	91 Å²	91	71.7 Å²	71.7	75%	0.752	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	132	-178.6	0	0	0	0	0	111.9	F223	A221-F223 VanDerWaalsContact C-N 3.34Å; A221-F223 WeakPolarHBondContact O-CD2 3.07Å
222	G	90.6	Very high	74.7	Confident	62 Å²	62	72 Å²	72	64%	0.639	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	4.6	-177.2	0	0	0	0	0	115.2	S220	S220-G222 PolarHBondContact O-N 3.35Å
223	F	93.3	Very high	76.1	Confident	17 Å²	17	65.2 Å²	65.2	8%	0.075	42%	0.418	C	S	.	.			trans	-102.3	148.6	175.3	-67.3	-109.6	0	0	0	111.4	S220 A221 P259 K260 Y299 A303 L307	S220-F223 VanDerWaalsContact CB-CD2 3.5Å; S220-F223 WeakPolarHBondContact O-CB 3.5Å; S220-F223 WeakPolarHBondContact O-CD2 3.35Å; S220-F223 PolarHBondContact O-N 3.29Å; S220-F223 VanDerWaalsContact O-N 3.08Å; A221-F223 VanDerWaalsContact C-N 3.34Å; A221-F223 WeakPolarHBondContact O-CD2 3.07Å; F223-P259 HydrophobicContact CE1-CB 3.62Å; F223-P259 HydrophobicContact CZ-CB 4.04Å; F223-K260 HydrophobicContact CB-CB 3.79Å; F223-K260 VanDerWaalsContact CD1-CA 3.48Å; F223-K260 HydrophobicContact CD1-CB 3.61Å; F223-K260 HydrophobicContact CG-CB 3.98Å; F223-Y299 AromaticContact CD1-CD1 3.36Å; F223-Y299 HydrophobicContact CD1-CD1 3.36Å; F223-Y299 HydrophobicContact CD1-CE1 4.26Å; F223-Y299 AromaticContact CD1-CG 3.55Å; F223-Y299 HydrophobicContact CD1-CG 3.55Å; F223-Y299 VanDerWaalsContact CE1-CB 3.44Å; F223-Y299 AromaticContact CE1-CD1 3.22Å; F223-Y299 HydrophobicContact CE1-CD1 3.22Å; F223-Y299 AromaticContact CE1-CD2 3.85Å; F223-Y299 HydrophobicContact CE1-CD2 3.85Å; F223-Y299 AromaticContact CE1-CE1 3.83Å; F223-Y299 HydrophobicContact CE1-CE1 3.83Å; F223-Y299 HydrophobicContact CE1-CE2 4.42Å; F223-Y299 AromaticContact CE1-CG 3.22Å; F223-Y299 HydrophobicContact CE1-CG 3.22Å; F223-Y299 HydrophobicContact CZ-CD1 4.36Å; F223-Y299 HydrophobicContact CZ-CD2 4.3Å; F223-Y299 AromaticContact CZ-CG 3.99Å; F223-Y299 HydrophobicContact CZ-CG 3.99Å; F223-A303 HydrophobicContact CE2-CB 4.25Å; F223-L307 HydrophobicContact CE2-CB 4.21Å; F223-L307 HydrophobicContact CE2-CD2 4.03Å; F223-L307 HydrophobicContact CZ-CB 4.46Å; F223-L307 HydrophobicContact CZ-CD2 3.82Å
224	S	90.4	Very high	78.1	Confident	71 Å²	71	64.2 Å²	64.2	50%	0.497	41%	0.411	S	S	.	.			trans	-125.6	158.9	177	61.7	0	0	0	0	111.1	G298	S224-G298 PolarHBondContact N-O 2.95Å; S224-G298 WeakPolarHBondContact OG-CA 3.16Å; S224-G298 PolarHBondContact OG-O 2.94Å
225	S	85.5	Confident	79.8	Confident	45 Å²	45	61.8 Å²	61.8	32%	0.315	39%	0.392	S	S	.	.			trans	-144.4	143.1	173.8	-161.9	0	0	0	0	111.2	C227	S225-C227 VanDerWaalsContact C-N 3.34Å; S225-C227 PolarHBondContact OG-O 2.9Å
226	I	80.4	Confident	81.6	Confident	128 Å²	128	57.3 Å²	57.3	66%	0.656	36%	0.36	S	S	*	.	S	Bend	trans	-74.3	-30.7	174.6	-58.3	168.6	0	0	0	110.5	N296	I226-N296 WeakPolarHBondContact CD1-ND2 3.45Å
227	C	76.7	Confident	83.4	Confident	42 Å²	42	53.2 Å²	53.2	28%	0.284	33%	0.332	S	S	.	.	S	Bend	trans	-97.7	128.1	-178	-65.2	0	0	0	0	110.1	N153 S225	N153-C227 HydrophobicContact CB-CB 4.14Å; N153-C227 PolarHBondContact O-SG 2.64Å; N153-C227 VanDerWaalsContact O-SG 3.33Å; S225-C227 VanDerWaalsContact C-N 3.34Å; S225-C227 PolarHBondContact OG-O 2.9Å
228	K	73.8	Confident	84.8	Confident	206 Å²	206	51.2 Å²	51.2	90%	0.896	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-73.1	132.1	173.4	-66	-175.6	179.4	-178.3	0	109.7
229	A	72.7	Confident	85.8	Confident	61 Å²	61	50.3 Å²	50.3	50%	0.504	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.9	146.2	169.9	0	0	0	0	0	110	S231	A229-S231 PolarHBondContact O-N 2.75Å
230	P	74	Confident	86.4	Confident	59 Å²	59	48 Å²	48	38%	0.383	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-59.1	130.8	176.1	-19.9	30.4	0	0	0	110.9	C202 T204 R218 V232	C202-P230 HydrophobicContact CB-CG 4.35Å; T204-P230 HydrophobicContact CG2-CB 3.67Å; T204-P230 HydrophobicContact CG2-CG 4.28Å; R218-P230 PolarHBondContact NH1-O 3.09Å; P230-V232 PolarHBondContact O-N 2.82Å
231	S	69.9	Low	86.8	Confident	91 Å²	91	49.7 Å²	49.7	64%	0.636	31%	0.314	S	S	*	.	S	Bend	trans	-66.2	-19	-174.1	51.2	0	0	0	0	114.6	R218 A229	R218-S231 VanDerWaalsContact NH2-C 3.35Å; R218-S231 PolarHBondContact NH2-O 3.46Å; A229-S231 PolarHBondContact O-N 2.75Å
232	V	79.4	Confident	87.2	Confident	45 Å²	45	48.9 Å²	48.9	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-136	142.7	-172.7	175.9	0	0	0	0	109.5	T204 A207 S210 P230	T204-V232 VanDerWaalsContact CG2-O 3.23Å; T204-V232 WeakPolarHBondContact CG2-O 3.27Å; A207-V232 HydrophobicContact CB-CG1 3.92Å; S210-V232 WeakPolarHBondContact OG-CG1 3.26Å; P230-V232 PolarHBondContact O-N 2.82Å
233	G	85.8	Confident	87.5	Confident	6 Å²	6	46 Å²	46	6%	0.062	26%	0.261	C	S	.	.	S	Bend	trans	143.3	170.3	173.6	0	0	0	0	0	113.6	N203 R235	N203-G233 CarbonylContact O-C 3.46Å; N203-G233 WeakPolarHBondContact O-CA 3.36Å; G233-R235 PolarHBondContact O-N 3.36Å
234	I	91.1	Very high	87.8	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	113	173.4	-61.1	172.7	0	0	0	107.8	F173 Y201 C202 N203 D238	F173-I234 HydrophobicContact CB-CD1 3.57Å; F173-I234 HydrophobicContact CD1-CD1 4.08Å; F173-I234 HydrophobicContact CD2-CG2 4.44Å; F173-I234 HydrophobicContact CG-CD1 3.81Å; Y201-I234 HydrophobicContact CE1-CG2 4.35Å; Y201-I234 VanDerWaalsContact CE1-O 3.3Å; Y201-I234 WeakPolarHBondContact CE1-O 3.32Å; C202-I234 CarbonylContact C-O 3.53Å; C202-I234 VanDerWaalsContact CA-O 3.31Å; C202-I234 WeakPolarHBondContact CA-O 3.25Å; N203-I234 HydrophobicContact CB-CB 4.46Å; N203-I234 PolarHBondContact N-O 2.89Å; N203-I234 PolarHBondContact O-N 3.46Å; I234-D238 HydrophobicContact CG2-CB 3.71Å
235	R	92.9	Very high	88.1	Confident	19 Å²	19	46.5 Å²	46.5	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	175.9	-177.9	-61.7	173.2	60.9	-162.4	-9.5	111.2	Y201 C213 G233 A237 D238 L239 E265	Y201-R235 CarbonylContact O-C 3.53Å; Y201-R235 WeakPolarHBondContact O-CA 3.45Å; C213-R235 PolarHBondContact SG-NH1 3.2Å; C213-R235 VanDerWaalsContact SG-NH1 3.38Å; G233-R235 PolarHBondContact O-N 3.36Å; R235-A237 VanDerWaalsContact C-N 3.35Å; R235-A237 PolarHBondContact O-N 2.88Å; R235-D238 WeakPolarHBondContact CB-OD2 3.5Å; R235-D238 PolarHBondContact N-OD2 3.48Å; R235-D238 PolarHBondContact O-N 2.86Å; R235-L239 WeakPolarHBondContact O-CB 2.96Å; R235-L239 PolarHBondContact O-N 2.9Å; R235-E265 IonicContact CZ-OE2 3.99Å; R235-E265 IonicContact NH1-OE1 3.33Å; R235-E265 PolarHBondContact NH1-OE1 3.16Å; R235-E265 IonicContact NH1-OE2 2.85Å; R235-E265 PolarHBondContact NH1-OE2 3.22Å; R235-E265 IonicContact NH2-OE2 2.61Å; R235-E265 PolarHBondContact NH2-OE2 2.58Å
236	F	95.6	Very high	88.7	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-38	178	-172.1	-117.9	0	0	0	113.4	I148 L193 V198 N199 Y201 L239 L240 F254 V266	I148-F236 HydrophobicContact CD1-CD2 4.23Å; I148-F236 HydrophobicContact CD1-CE2 3.94Å; L193-F236 HydrophobicContact CD1-CE2 4.36Å; V198-F236 HydrophobicContact CB-CE2 4.39Å; V198-F236 HydrophobicContact CG2-CZ 4.46Å; V198-F236 WeakPolarHBondContact O-CD2 3.24Å; V198-F236 WeakPolarHBondContact O-CE2 3.39Å; N199-F236 HydrophobicContact CB-CD1 3.56Å; N199-F236 HydrophobicContact CB-CE1 3.74Å; N199-F236 HydrophobicContact CB-CG 4.14Å; N199-F236 HydrophobicContact CB-CZ 4.46Å; Y201-F236 PolarHBondContact O-N 3.34Å; F236-L239 HydrophobicContact CD2-CD2 4.25Å; F236-L239 PolarHBondContact O-N 3.02Å; F236-L240 HydrophobicContact CD1-CD1 3.96Å; F236-L240 HydrophobicContact CD1-CG 4.35Å; F236-L240 HydrophobicContact CE1-CD1 3.5Å; F236-L240 HydrophobicContact CE1-CD2 4.49Å; F236-L240 HydrophobicContact CE1-CG 4Å; F236-L240 HydrophobicContact CE2-CD2 4.3Å; F236-L240 HydrophobicContact CE2-CG 4.21Å; F236-L240 HydrophobicContact CZ-CD1 3.85Å; F236-L240 HydrophobicContact CZ-CD2 3.99Å; F236-L240 HydrophobicContact CZ-CG 3.92Å; F236-L240 WeakPolarHBondContact O-CG 3.5Å; F236-L240 PolarHBondContact O-N 3.45Å; F236-F254 HydrophobicContact CE1-CD1 4.37Å; F236-F254 HydrophobicContact CE1-CD2 4.42Å; F236-F254 HydrophobicContact CE1-CE1 4.31Å; F236-F254 HydrophobicContact CE1-CE2 4.37Å; F236-F254 HydrophobicContact CE1-CG 4.42Å; F236-F254 HydrophobicContact CE1-CZ 4.32Å; F236-F254 HydrophobicContact CZ-CB 4.15Å; F236-F254 AromaticContact CZ-CD1 3.88Å; F236-F254 HydrophobicContact CZ-CD1 3.88Å; F236-F254 HydrophobicContact CZ-CD2 4.07Å; F236-F254 HydrophobicContact CZ-CE1 4.28Å; F236-F254 HydrophobicContact CZ-CE2 4.46Å; F236-F254 AromaticContact CZ-CG 3.77Å; F236-F254 HydrophobicContact CZ-CG 3.77Å; F236-V266 HydrophobicContact CD1-CG1 4.14Å; F236-V266 HydrophobicContact CD1-CG2 4.17Å; F236-V266 HydrophobicContact CE1-CG1 4.26Å
237	A	95.1	Very high	89.4	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-47.8	174.5	0	0	0	0	0	111.1	R235 L239 L240 D241 E265 V266 V269	R235-A237 VanDerWaalsContact C-N 3.35Å; R235-A237 PolarHBondContact O-N 2.88Å; A237-L239 VanDerWaalsContact C-N 3.32Å; A237-L239 PolarHBondContact O-N 2.73Å; A237-L240 PolarHBondContact O-N 3.03Å; A237-D241 WeakPolarHBondContact O-CB 3.42Å; A237-D241 PolarHBondContact O-N 2.89Å; A237-E265 HydrophobicContact CB-CB 4.07Å; A237-V266 HydrophobicContact CB-CG2 3.98Å; A237-V269 HydrophobicContact CB-CG2 4.47Å
238	D	94.8	Very high	90.3	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-41.3	176.1	-53	-59.7	0	0	0	112	I234 R235 D241 R242	I234-D238 HydrophobicContact CG2-CB 3.71Å; R235-D238 WeakPolarHBondContact CB-OD2 3.5Å; R235-D238 PolarHBondContact N-OD2 3.48Å; R235-D238 PolarHBondContact O-N 2.86Å; D238-D241 PolarHBondContact O-N 3.37Å; D238-R242 WeakPolarHBondContact O-CB 3.18Å; D238-R242 VanDerWaalsContact O-CG 3.22Å; D238-R242 WeakPolarHBondContact O-CG 3.31Å; D238-R242 PolarHBondContact O-N 2.9Å
239	L	96.5	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-50.7	176.5	176.4	68.2	0	0	0	110.8	I148 F173 I176 L193 Y201 R235 F236 A237 D241 L243	I148-L239 HydrophobicContact CB-CD2 4.39Å; I148-L239 HydrophobicContact CD1-CD2 3.75Å; I148-L239 HydrophobicContact CG2-CD2 4.3Å; F173-L239 HydrophobicContact CD2-CD1 3.69Å; F173-L239 HydrophobicContact CE2-CD1 3.96Å; I176-L239 HydrophobicContact CD1-CD1 4.31Å; I176-L239 HydrophobicContact CG2-CD1 4.14Å; L193-L239 HydrophobicContact CD1-CD2 4.48Å; Y201-L239 HydrophobicContact CD1-CB 4.12Å; Y201-L239 HydrophobicContact CD1-CD2 3.86Å; Y201-L239 HydrophobicContact CD2-CD2 4.19Å; Y201-L239 HydrophobicContact CE1-CB 3.98Å; Y201-L239 HydrophobicContact CE1-CD1 4.42Å; Y201-L239 HydrophobicContact CE1-CD2 3.91Å; Y201-L239 HydrophobicContact CE1-CG 4.33Å; Y201-L239 HydrophobicContact CE2-CD2 4.23Å; Y201-L239 HydrophobicContact CG-CD2 4Å; R235-L239 WeakPolarHBondContact O-CB 2.96Å; R235-L239 PolarHBondContact O-N 2.9Å; F236-L239 HydrophobicContact CD2-CD2 4.25Å; F236-L239 PolarHBondContact O-N 3.02Å; A237-L239 VanDerWaalsContact C-N 3.32Å; A237-L239 PolarHBondContact O-N 2.73Å; L239-D241 VanDerWaalsContact C-N 3.31Å; L239-D241 PolarHBondContact O-N 2.91Å; L239-L243 HydrophobicContact CD1-CD1 3.86Å; L239-L243 HydrophobicContact CD1-CG 4.02Å; L239-L243 HydrophobicContact CG-CD1 4.06Å; L239-L243 HydrophobicContact CG-CG 4.45Å; L239-L243 WeakPolarHBondContact O-CB 3.18Å; L239-L243 VanDerWaalsContact O-CG 3.24Å; L239-L243 WeakPolarHBondContact O-CG 3.19Å; L239-L243 PolarHBondContact O-N 2.79Å
240	L	97.9	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-44.5	178.5	-77.1	-177	0	0	0	111.4	L193 F236 A237 S244 I252 F254 V266 V269 M270 I276	L193-L240 HydrophobicContact CD1-CD2 3.97Å; F236-L240 HydrophobicContact CD1-CD1 3.96Å; F236-L240 HydrophobicContact CD1-CG 4.35Å; F236-L240 HydrophobicContact CE1-CD1 3.5Å; F236-L240 HydrophobicContact CE1-CD2 4.49Å; F236-L240 HydrophobicContact CE1-CG 4Å; F236-L240 HydrophobicContact CE2-CD2 4.3Å; F236-L240 HydrophobicContact CE2-CG 4.21Å; F236-L240 HydrophobicContact CZ-CD1 3.85Å; F236-L240 HydrophobicContact CZ-CD2 3.99Å; F236-L240 HydrophobicContact CZ-CG 3.92Å; F236-L240 WeakPolarHBondContact O-CG 3.5Å; F236-L240 PolarHBondContact O-N 3.45Å; A237-L240 PolarHBondContact O-N 3.03Å; L240-S244 VanDerWaalsContact O-CB 3.26Å; L240-S244 WeakPolarHBondContact O-CB 3.5Å; L240-S244 PolarHBondContact O-N 3.42Å; L240-S244 PolarHBondContact O-OG 2.76Å; L240-I252 HydrophobicContact CD2-CG2 4.18Å; L240-F254 HydrophobicContact CD1-CE1 4.15Å; L240-F254 HydrophobicContact CD2-CD1 4.19Å; L240-V266 HydrophobicContact CD1-CG1 4.29Å; L240-V269 HydrophobicContact CB-CG1 3.93Å; L240-M270 HydrophobicContact CD1-CG 4.44Å; L240-I276 HydrophobicContact CB-CD1 3.99Å; L240-I276 HydrophobicContact CD2-CD1 4.48Å
241	D	97.4	Very high	93.2	Very high	42 Å²	42	35.3 Å²	35.3	23%	0.225	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-53.6	-179.5	-172.5	61.6	0	0	0	111.4	A237 D238 L239 L243 S244 L245 V269 R273	A237-D241 WeakPolarHBondContact O-CB 3.42Å; A237-D241 PolarHBondContact O-N 2.89Å; D238-D241 PolarHBondContact O-N 3.37Å; L239-D241 VanDerWaalsContact C-N 3.31Å; L239-D241 PolarHBondContact O-N 2.91Å; D241-L243 PolarHBondContact O-N 3.3Å; D241-S244 WeakPolarHBondContact O-CB 3.27Å; D241-S244 PolarHBondContact O-N 2.92Å; D241-S244 VanDerWaalsContact O-N 3.16Å; D241-S244 PolarHBondContact O-OG 3.3Å; D241-L245 WeakPolarHBondContact O-CG 3.46Å; D241-L245 PolarHBondContact O-N 3.08Å; D241-L245 VanDerWaalsContact O-N 3.16Å; D241-V269 HydrophobicContact CB-CG1 4.02Å; D241-V269 HydrophobicContact CB-CG2 4.19Å; D241-R273 IonicContact OD1-CZ 3.7Å; D241-R273 IonicContact OD1-NE 2.65Å; D241-R273 PolarHBondContact OD1-NE 3.05Å; D241-R273 IonicContact OD1-NH2 3.17Å; D241-R273 PolarHBondContact OD1-NH2 3.23Å; D241-R273 IonicContact OD2-NH2 2.71Å
242	R	97.1	Very high	94.6	Very high	74 Å²	74	31 Å²	31	28%	0.279	17%	0.165	S	C	.	.	H	α-helix	trans	-60.8	-46.7	179.9	-68.6	175.2	-174.2	-150.6	-0.1	112.4	F173 D238 S244 L245 L246	F173-R242 HydrophobicContact CE2-CB 3.84Å; F173-R242 HydrophobicContact CE2-CG 4.44Å; F173-R242 HydrophobicContact CZ-CB 3.73Å; F173-R242 VanDerWaalsContact CZ-CD 3.44Å; F173-R242 HydrophobicContact CZ-CG 4.21Å; D238-R242 WeakPolarHBondContact O-CB 3.18Å; D238-R242 VanDerWaalsContact O-CG 3.22Å; D238-R242 WeakPolarHBondContact O-CG 3.31Å; D238-R242 PolarHBondContact O-N 2.9Å; R242-S244 VanDerWaalsContact C-N 3.29Å; R242-S244 PolarHBondContact O-N 3.42Å; R242-L245 PolarHBondContact O-N 3.23Å; R242-L246 WeakPolarHBondContact O-CG 3.12Å; R242-L246 PolarHBondContact O-N 3.11Å; R242-L246 VanDerWaalsContact O-N 3.1Å
243	L	98.1	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-37.8	177.8	-67.6	-175	0	0	0	111.7	I176 F180 L193 L239 D241 L245 L246 A247 I252	I176-L243 HydrophobicContact CG2-CD1 4.23Å; I176-L243 HydrophobicContact CG2-CD2 4.37Å; F180-L243 HydrophobicContact CB-CD2 3.92Å; F180-L243 HydrophobicContact CD1-CD2 3.9Å; F180-L243 HydrophobicContact CD2-CB 4.47Å; F180-L243 HydrophobicContact CD2-CD1 4.15Å; F180-L243 HydrophobicContact CD2-CD2 3.91Å; F180-L243 HydrophobicContact CD2-CG 4.4Å; F180-L243 HydrophobicContact CE1-CB 4.26Å; F180-L243 HydrophobicContact CE1-CD2 4.31Å; F180-L243 WeakPolarHBondContact CE1-O 3.45Å; F180-L243 HydrophobicContact CE2-CB 4.03Å; F180-L243 HydrophobicContact CE2-CD1 4.25Å; F180-L243 HydrophobicContact CE2-CD2 4.32Å; F180-L243 HydrophobicContact CE2-CG 4.43Å; F180-L243 HydrophobicContact CG-CD2 3.67Å; F180-L243 HydrophobicContact CZ-CB 3.91Å; F180-L243 HydrophobicContact CZ-CD2 4.5Å; F180-L243 VanDerWaalsContact CZ-O 3.27Å; F180-L243 WeakPolarHBondContact CZ-O 3.39Å; L193-L243 HydrophobicContact CD1-CD1 4.19Å; L193-L243 HydrophobicContact CD2-CD1 4.07Å; L239-L243 HydrophobicContact CD1-CD1 3.86Å; L239-L243 HydrophobicContact CD1-CG 4.02Å; L239-L243 HydrophobicContact CG-CD1 4.06Å; L239-L243 HydrophobicContact CG-CG 4.45Å; L239-L243 WeakPolarHBondContact O-CB 3.18Å; L239-L243 VanDerWaalsContact O-CG 3.24Å; L239-L243 WeakPolarHBondContact O-CG 3.19Å; L239-L243 PolarHBondContact O-N 2.79Å; D241-L243 PolarHBondContact O-N 3.3Å; L243-L245 VanDerWaalsContact C-N 3.27Å; L243-L245 PolarHBondContact O-N 3.33Å; L243-L246 HydrophobicContact CD2-CD1 4.18Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-A247 PolarHBondContact O-N 2.77Å; L243-I252 HydrophobicContact CB-CD1 3.82Å
244	S	97.9	Very high	95.8	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-34.9	178.4	78.5	0	0	0	0	112.7	L240 D241 R242 A247 R273 N275	L240-S244 VanDerWaalsContact O-CB 3.26Å; L240-S244 WeakPolarHBondContact O-CB 3.5Å; L240-S244 PolarHBondContact O-N 3.42Å; L240-S244 PolarHBondContact O-OG 2.76Å; D241-S244 WeakPolarHBondContact O-CB 3.27Å; D241-S244 PolarHBondContact O-N 2.92Å; D241-S244 VanDerWaalsContact O-N 3.16Å; D241-S244 PolarHBondContact O-OG 3.3Å; R242-S244 VanDerWaalsContact C-N 3.29Å; R242-S244 PolarHBondContact O-N 3.42Å; S244-A247 CarbonylContact O-C 3.57Å; S244-R273 WeakPolarHBondContact OG-CD 3.34Å; S244-R273 VanDerWaalsContact OG-CG 3.3Å; S244-R273 WeakPolarHBondContact OG-CG 3.13Å; S244-R273 PolarHBondContact OG-NE 3.35Å; S244-N275 PolarHBondContact O-ND2 3.06Å
245	L	97.6	Very high	95.9	Very high	96 Å²	96	30.4 Å²	30.4	50%	0.503	16%	0.158	S	C	.	.	H	α-helix	trans	-75.9	-35.3	178.2	-69.2	171	0	0	0	112.8	D241 R242 L243 A247 P248	D241-L245 WeakPolarHBondContact O-CG 3.46Å; D241-L245 PolarHBondContact O-N 3.08Å; D241-L245 VanDerWaalsContact O-N 3.16Å; R242-L245 PolarHBondContact O-N 3.23Å; L243-L245 VanDerWaalsContact C-N 3.27Å; L243-L245 PolarHBondContact O-N 3.33Å; L245-A247 VanDerWaalsContact C-N 3.29Å; L245-A247 PolarHBondContact O-N 3.12Å; L245-P248 WeakPolarHBondContact O-CD 3.45Å
246	L	97.1	Very high	95.7	Very high	47 Å²	47	30.9 Å²	30.9	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-68	-27	-179.7	-73.1	168.6	0	0	0	113.8	E177 F180 R184 R242 L243	E177-L246 HydrophobicContact CG-CD1 3.78Å; F180-L246 HydrophobicContact CD1-CB 4.24Å; F180-L246 HydrophobicContact CE1-CB 4.04Å; R184-L246 PolarHBondContact NH1-O 3.4Å; R184-L246 VanDerWaalsContact NH1-O 3.08Å; R242-L246 WeakPolarHBondContact O-CG 3.12Å; R242-L246 PolarHBondContact O-N 3.11Å; R242-L246 VanDerWaalsContact O-N 3.1Å; L243-L246 HydrophobicContact CD2-CD1 4.18Å; L243-L246 PolarHBondContact O-N 3.48Å
247	A	95.9	Very high	95.6	Very high	4 Å²	4	31 Å²	31	3%	0.033	17%	0.166	C	C	.	.			trans	-146.2	77.9	178.1	0	0	0	0	0	112.2	F180 R184 L243 S244 L245 N249 M250 N275	F180-A247 HydrophobicContact CE1-CB 3.53Å; F180-A247 HydrophobicContact CZ-CB 4Å; R184-A247 HydrophobicContact CB-CB 4.34Å; R184-A247 HydrophobicContact CG-CB 4.02Å; L243-A247 PolarHBondContact O-N 2.77Å; S244-A247 CarbonylContact O-C 3.57Å; L245-A247 VanDerWaalsContact C-N 3.29Å; L245-A247 PolarHBondContact O-N 3.12Å; A247-N249 PolarHBondContact O-N 3.16Å; A247-N249 VanDerWaalsContact O-N 3.08Å; A247-M250 HydrophobicContact CB-CB 3.69Å; A247-M250 HydrophobicContact CB-CE 3.78Å; A247-M250 PolarHBondContact O-N 2.86Å; A247-N275 PolarHBondContact O-ND2 3.39Å
248	P	95.2	Very high	95.6	Very high	80 Å²	80	31.4 Å²	31.4	52%	0.519	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.5	-178.4	-26.5	36.3	0	0	0	114.4	L245 N275	L245-P248 WeakPolarHBondContact O-CD 3.45Å; P248-N275 VanDerWaalsContact O-CB 3.31Å; P248-N275 WeakPolarHBondContact O-CB 3.18Å
249	N	92	Very high	95.6	Very high	145 Å²	145	29.3 Å²	29.3	78%	0.775	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	3.2	-179.8	-61.9	-34	0	0	0	113.8	A247	A247-N249 PolarHBondContact O-N 3.16Å; A247-N249 VanDerWaalsContact O-N 3.08Å
250	M	94.7	Very high	95.5	Very high	4 Å²	4	30 Å²	30	2%	0.02	16%	0.158	C	C	.	.	S	Bend	trans	-107.2	123.5	177.4	-172.4	163.4	62.3	0	0	109.6	F180 R184 V188 V191 A247 N275	F180-M250 HydrophobicContact CD1-CE 3.76Å; F180-M250 HydrophobicContact CD2-CE 3.69Å; F180-M250 HydrophobicContact CE1-CE 3.36Å; F180-M250 HydrophobicContact CE2-CE 3.29Å; F180-M250 HydrophobicContact CG-CE 3.92Å; F180-M250 HydrophobicContact CZ-CE 3.12Å; R184-M250 HydrophobicContact CB-CE 4.21Å; V188-M250 HydrophobicContact CB-SD 4.3Å; V188-M250 HydrophobicContact CG1-SD 4.25Å; V191-M250 HydrophobicContact CG2-CE 3.92Å; V191-M250 HydrophobicContact CG2-CG 4.42Å; V191-M250 HydrophobicContact CG2-SD 3.66Å; A247-M250 HydrophobicContact CB-CB 3.69Å; A247-M250 HydrophobicContact CB-CE 3.78Å; A247-M250 PolarHBondContact O-N 2.86Å; M250-N275 WeakPolarHBondContact O-CB 3.33Å; M250-N275 PolarHBondContact O-ND2 2.85Å
251	R	96.4	Very high	95.2	Very high	26 Å²	26	30.7 Å²	30.7	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.2	179.8	-179.7	-174.7	-83.8	178.9	1.8	110.7	K189 E190 V191 N275 C277 F392 F436	K189-R251 PolarHBondContact O-N 2.72Å; E190-R251 CarbonylContact C-O 3.55Å; E190-R251 VanDerWaalsContact CA-O 3.31Å; E190-R251 WeakPolarHBondContact CA-O 3.26Å; E190-R251 HydrophobicContact CB-CB 4.28Å; E190-R251 HydrophobicContact CG-CB 4.12Å; E190-R251 HydrophobicContact CG-CG 4.1Å; E190-R251 WeakPolarHBondContact OE2-CD 3.19Å; E190-R251 IonicContact OE2-NE 3.11Å; E190-R251 IonicContact OE2-NH1 2.97Å; E190-R251 PolarHBondContact OE2-NH1 3.42Å; V191-R251 PolarHBondContact N-O 2.61Å; R251-N275 CarbonylContact C-O 3.59Å; R251-N275 VanDerWaalsContact CA-O 3.29Å; R251-N275 WeakPolarHBondContact CA-O 3.37Å; R251-C277 WeakPolarHBondContact CD-SG 3.37Å; R251-C277 WeakPolarHBondContact CG-SG 3.26Å; R251-F392 VanDerWaalsContact NH1-CB 3.33Å; R251-F436 HydrophobicContact CB-CE1 4.38Å; R251-F436 HydrophobicContact CB-CZ 4.09Å
252	I	97.6	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	178.3	-54.1	173.7	0	0	0	108.9	F180 L193 L240 L243 N275 I276 C277	F180-I252 HydrophobicContact CE2-CD1 4.14Å; F180-I252 HydrophobicContact CE2-CG1 4.11Å; F180-I252 HydrophobicContact CZ-CD1 3.88Å; F180-I252 HydrophobicContact CZ-CG1 4.12Å; L193-I252 HydrophobicContact CD1-CG2 4.13Å; L193-I252 HydrophobicContact CG-CG2 4.24Å; L240-I252 HydrophobicContact CD2-CG2 4.18Å; L243-I252 HydrophobicContact CB-CD1 3.82Å; I252-N275 PolarHBondContact N-O 3.25Å; I252-I276 HydrophobicContact CB-CG1 4.41Å; I252-C277 PolarHBondContact O-N 3.31Å
253	R	96	Very high	94.8	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.045	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.9	172.8	-173.9	-180	-56.7	-71.8	-0.4	108.9	E190 V191 T192 L193 C277 T408 D409	E190-R253 IonicContact OE1-CZ 3.56Å; E190-R253 IonicContact OE1-NE 3.99Å; E190-R253 PolarHBondContact OE1-NE 3.33Å; E190-R253 VanDerWaalsContact OE1-NE 3.11Å; E190-R253 IonicContact OE1-NH2 3.35Å; E190-R253 IonicContact OE2-NE 3.73Å; E190-R253 IonicContact OE2-NH2 3.1Å; E190-R253 PolarHBondContact OE2-NH2 3.07Å; V191-R253 PolarHBondContact O-N 2.61Å; T192-R253 CarbonylContact C-O 3.54Å; T192-R253 VanDerWaalsContact CA-O 3.25Å; T192-R253 WeakPolarHBondContact CA-O 3.06Å; T192-R253 HydrophobicContact CG2-CB 4.4Å; T192-R253 HydrophobicContact CG2-CG 4.33Å; L193-R253 PolarHBondContact N-O 3.29Å; R253-C277 PolarHBondContact NH2-SG 3.49Å; R253-C277 VanDerWaalsContact NH2-SG 3.43Å; R253-T408 PolarHBondContact NH2-O 3.3Å; R253-D409 PolarHBondContact NH1-O 3.02Å; R253-D409 PolarHBondContact NH2-O 2.8Å
254	F	96.1	Very high	94.6	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.044	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.7	167.8	59.4	-95.3	0	0	0	109.7	L193 V198 F236 L240 P257 F262 M270 I276	L193-F254 HydrophobicContact CB-CB 4.03Å; V198-F254 HydrophobicContact CG2-CB 4.19Å; V198-F254 HydrophobicContact CG2-CD2 3.91Å; V198-F254 HydrophobicContact CG2-CG 4.45Å; F236-F254 HydrophobicContact CE1-CD1 4.37Å; F236-F254 HydrophobicContact CE1-CD2 4.42Å; F236-F254 HydrophobicContact CE1-CE1 4.31Å; F236-F254 HydrophobicContact CE1-CE2 4.37Å; F236-F254 HydrophobicContact CE1-CG 4.42Å; F236-F254 HydrophobicContact CE1-CZ 4.32Å; F236-F254 HydrophobicContact CZ-CB 4.15Å; F236-F254 AromaticContact CZ-CD1 3.88Å; F236-F254 HydrophobicContact CZ-CD1 3.88Å; F236-F254 HydrophobicContact CZ-CD2 4.07Å; F236-F254 HydrophobicContact CZ-CE1 4.28Å; F236-F254 HydrophobicContact CZ-CE2 4.46Å; F236-F254 AromaticContact CZ-CG 3.77Å; F236-F254 HydrophobicContact CZ-CG 3.77Å; L240-F254 HydrophobicContact CD1-CE1 4.15Å; L240-F254 HydrophobicContact CD2-CD1 4.19Å; F254-P257 HydrophobicContact CE2-CB 4.4Å; F254-P257 HydrophobicContact CE2-CG 4.35Å; F254-F262 HydrophobicContact CE2-CE1 4.18Å; F254-F262 HydrophobicContact CE2-CZ 4.08Å; F254-F262 HydrophobicContact CZ-CE1 4.21Å; F254-M270 HydrophobicContact CE1-CE 4.15Å; F254-M270 HydrophobicContact CE1-SD 3.93Å; F254-M270 HydrophobicContact CZ-CE 4.03Å; F254-M270 HydrophobicContact CZ-SD 3.68Å; F254-I276 HydrophobicContact CE1-CG2 4.49Å
255	T	91.9	Very high	94.4	Very high	22 Å²	22	31.1 Å²	31.1	14%	0.135	17%	0.168	C	C	.	.			trans	-146.8	163.9	-180	-174.6	0	0	0	0	110.6	P18 T20 T192 L193 L194 V198	P18-T255 HydrophobicContact CG-CG2 4.44Å; T20-T255 HydrophobicContact CG2-CG2 4.42Å; T192-T255 HydrophobicContact CG2-CG2 4.28Å; L193-T255 PolarHBondContact O-N 2.81Å; L194-T255 HydrophobicContact CD2-CG2 3.64Å; V198-T255 WeakPolarHBondContact CG1-O 3.15Å; V198-T255 WeakPolarHBondContact CG2-O 3.14Å
256	S	89.1	Confident	94.3	Very high	30 Å²	30	26.8 Å²	26.8	21%	0.21	15%	0.145	C	C	.	.			trans	60.1	44.4	-175	-53.1	0	0	0	0	114.3	T20 N197 V198	T20-S256 VanDerWaalsContact CG2-OG 3.28Å; T20-S256 WeakPolarHBondContact CG2-OG 3.22Å; N197-S256 WeakPolarHBondContact CA-O 2.98Å; V198-S256 PolarHBondContact N-O 2.73Å
257	P	93.4	Very high	94.3	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	13%	0.134	C	C	.	.			trans	-78.4	167.1	167.2	39.2	-39.2	0	0	0	110.7	V198 N199 F254 F262 H281 P283	V198-P257 HydrophobicContact CG2-CB 3.99Å; N199-P257 HydrophobicContact CB-CB 4.08Å; N199-P257 WeakPolarHBondContact ND2-CB 3.14Å; N199-P257 WeakPolarHBondContact OD1-CA 3.3Å; N199-P257 WeakPolarHBondContact OD1-CB 3.4Å; F254-P257 HydrophobicContact CE2-CB 4.4Å; F254-P257 HydrophobicContact CE2-CG 4.35Å; P257-F262 HydrophobicContact CB-CE2 3.68Å; P257-F262 HydrophobicContact CB-CZ 3.61Å; P257-F262 HydrophobicContact CG-CE2 3.83Å; P257-F262 HydrophobicContact CG-CZ 3.7Å; P257-H281 HydrophobicContact CG-CB 4.38Å; P257-H281 WeakPolarHBondContact CG-O 3.28Å; P257-P283 WeakPolarHBondContact O-CD 3.32Å
258	H	94.3	Very high	94.3	Very high	15 Å²	15	28.6 Å²	28.6	7%	0.069	15%	0.152	C	C	.	.			trans	-110	137.5	170.9	-171	-69.5	0	0	0	110.6	N154 N197 N199 K260 D261 R297	N154-H258 PolarHBondContact ND2-CD2 2.83Å; N197-H258 WeakPolarHBondContact OD1-CB 3.31Å; N197-H258 PolarHBondContact OD1-N 2.86Å; N197-H258 VanDerWaalsContact OD1-N 3.09Å; N199-H258 PolarHBondContact ND2-O 3.32Å; N199-H258 PolarHBondContact OD1-N 3.11Å; H258-K260 VanDerWaalsContact C-N 3.31Å; H258-K260 WeakPolarHBondContact ND1-CB 3.3Å; H258-K260 WeakPolarHBondContact ND1-CG 3.26Å; H258-K260 PolarHBondContact ND1-N 3.4Å; H258-K260 VanDerWaalsContact ND1-N 3.13Å; H258-K260 PolarHBondContact O-N 2.91Å; H258-D261 PolarHBondContact O-N 2.63Å; H258-R297 PolarHBondContact CD2-NH1 2.84Å; H258-R297 VanDerWaalsContact CD2-NH1 3.35Å; H258-R297 PolarHBondContact NE2-NH1 3.13Å
259	P	95.6	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52.3	-42.4	-178.4	-29.5	35.7	0	0	0	114.9	S220 F223 D261 F262 L282 P283 Y304 L307	S220-P259 PolarHBondContact OG-O 3.44Å; F223-P259 HydrophobicContact CE1-CB 3.62Å; F223-P259 HydrophobicContact CZ-CB 4.04Å; P259-D261 PolarHBondContact O-N 3.07Å; P259-D261 VanDerWaalsContact O-N 3.09Å; P259-F262 PolarHBondContact O-N 2.96Å; P259-L282 HydrophobicContact CB-CD1 3.78Å; P259-L282 HydrophobicContact CB-CG 4.33Å; P259-L282 HydrophobicContact CG-CD1 3.87Å; P259-L282 HydrophobicContact CG-CG 4.11Å; P259-P283 VanDerWaalsContact CG-O 3.31Å; P259-P283 WeakPolarHBondContact CG-O 3.5Å; P259-Y304 HydrophobicContact CB-CD2 4.39Å; P259-Y304 HydrophobicContact CB-CE2 4.36Å; P259-Y304 HydrophobicContact CG-CD2 4.43Å; P259-Y304 HydrophobicContact CG-CE2 4.05Å; P259-L307 HydrophobicContact CB-CD2 4.1Å; P259-L307 WeakPolarHBondContact O-CD2 3.43Å
260	K	93.5	Very high	94.6	Very high	15 Å²	15	18.7 Å²	18.7	7%	0.065	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-55.8	-25.1	177.3	86.4	-172.2	170.5	60.4	0	115.3	N154 L219 S220 F223 H258 F262	N154-K260 WeakPolarHBondContact OD1-CE 3.44Å; L219-K260 CarbonylContact C-O 3.54Å; L219-K260 VanDerWaalsContact CA-O 3.29Å; L219-K260 WeakPolarHBondContact CA-O 3.21Å; L219-K260 HydrophobicContact CD2-CB 4.41Å; L219-K260 HydrophobicContact CD2-CD 4.37Å; L219-K260 HydrophobicContact CD2-CG 4.12Å; S220-K260 PolarHBondContact N-O 3.33Å; S220-K260 PolarHBondContact OG-O 3.13Å; F223-K260 HydrophobicContact CB-CB 3.79Å; F223-K260 VanDerWaalsContact CD1-CA 3.48Å; F223-K260 HydrophobicContact CD1-CB 3.61Å; F223-K260 HydrophobicContact CG-CB 3.98Å; H258-K260 VanDerWaalsContact C-N 3.31Å; H258-K260 WeakPolarHBondContact ND1-CB 3.3Å; H258-K260 WeakPolarHBondContact ND1-CG 3.26Å; H258-K260 PolarHBondContact ND1-N 3.4Å; H258-K260 VanDerWaalsContact ND1-N 3.13Å; H258-K260 PolarHBondContact O-N 2.91Å; K260-F262 VanDerWaalsContact C-N 3.35Å
261	D	93.1	Very high	94.7	Very high	15 Å²	15	24.6 Å²	24.6	8%	0.08	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-101.3	32.6	-171.6	-61.7	-50.5	0	0	0	110.8	N197 N199 H258 P259 P263	N197-D261 PolarHBondContact ND2-OD2 3.41Å; N199-D261 HydrophobicContact CB-CB 4.18Å; N199-D261 WeakPolarHBondContact CB-O 3.47Å; N199-D261 VanDerWaalsContact CG-CB 3.46Å; N199-D261 VanDerWaalsContact ND2-CB 3.33Å; N199-D261 WeakPolarHBondContact ND2-CB 2.97Å; N199-D261 PolarHBondContact ND2-O 3.17Å; H258-D261 PolarHBondContact O-N 2.63Å; P259-D261 PolarHBondContact O-N 3.07Å; P259-D261 VanDerWaalsContact O-N 3.09Å; D261-P263 VanDerWaalsContact O-CD 3.3Å; D261-P263 WeakPolarHBondContact O-CD 3.27Å
262	F	94.3	Very high	94.7	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.146	C	C	.	.			trans	-114.7	70.2	171.7	-78.2	-76.2	0	0	0	110.9	N199 S220 F254 P257 P259 K260 V266 L267 I280 L282 L307	N199-F262 WeakPolarHBondContact ND2-CD2 3.45Å; N199-F262 VanDerWaalsContact ND2-CE2 3.34Å; N199-F262 WeakPolarHBondContact ND2-CE2 3.22Å; S220-F262 WeakPolarHBondContact OG-CA 3.3Å; S220-F262 PolarHBondContact OG-N 3.46Å; S220-F262 PolarHBondContact OG-O 3.36Å; F254-F262 HydrophobicContact CE2-CE1 4.18Å; F254-F262 HydrophobicContact CE2-CZ 4.08Å; F254-F262 HydrophobicContact CZ-CE1 4.21Å; P257-F262 HydrophobicContact CB-CE2 3.68Å; P257-F262 HydrophobicContact CB-CZ 3.61Å; P257-F262 HydrophobicContact CG-CE2 3.83Å; P257-F262 HydrophobicContact CG-CZ 3.7Å; P259-F262 PolarHBondContact O-N 2.96Å; K260-F262 VanDerWaalsContact C-N 3.35Å; F262-V266 HydrophobicContact CD1-CG1 4.03Å; F262-V266 HydrophobicContact CE1-CG1 4.28Å; F262-L267 HydrophobicContact CD1-CD2 4.09Å; F262-I280 HydrophobicContact CE1-CD1 4.32Å; F262-I280 HydrophobicContact CE1-CG2 4.02Å; F262-I280 HydrophobicContact CE2-CG2 3.99Å; F262-I280 HydrophobicContact CZ-CG2 3.54Å; F262-L282 HydrophobicContact CD2-CD1 3.74Å; F262-L282 HydrophobicContact CE2-CD1 3.69Å; F262-L307 HydrophobicContact CB-CD1 4.19Å
263	P	91.6	Very high	94.7	Very high	11 Å²	11	33 Å²	33	7%	0.071	16%	0.158	C	C	.	.			trans	-68.3	162.9	166.9	32.2	-35.1	0	0	0	110.4	D261 E265 V266	D261-P263 VanDerWaalsContact O-CD 3.3Å; D261-P263 WeakPolarHBondContact O-CD 3.27Å; P263-E265 PolarHBondContact O-N 2.88Å; P263-V266 HydrophobicContact CG-CG2 4.04Å; P263-V266 PolarHBondContact O-N 3.37Å; P263-V266 VanDerWaalsContact O-N 3.07Å
264	D	93.6	Very high	94.6	Very high	57 Å²	57	37.7 Å²	37.7	31%	0.305	19%	0.193	S	C	.	.	H	α-helix	trans	-57.5	-36.4	-175.5	-69.4	-22.4	0	0	0	112.6	V266 L267 E268 R310 M314	D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 2.85Å; D264-L267 CarbonylContact O-C 3.4Å; D264-L267 WeakPolarHBondContact O-CA 3.49Å; D264-L267 WeakPolarHBondContact O-CB 3.44Å; D264-L267 PolarHBondContact O-N 3.01Å; D264-E268 WeakPolarHBondContact O-CG 3.36Å; D264-E268 PolarHBondContact O-N 3.31Å; D264-R310 VanDerWaalsContact CG-CZ 3.44Å; D264-R310 IonicContact OD1-CZ 3.18Å; D264-R310 VanDerWaalsContact OD1-CZ 3.23Å; D264-R310 IonicContact OD1-NE 2.75Å; D264-R310 IonicContact OD1-NH1 3.31Å; D264-R310 PolarHBondContact OD1-NH1 2.86Å; D264-R310 IonicContact OD1-NH2 3.21Å; D264-R310 PolarHBondContact OD1-NH2 2.85Å; D264-R310 IonicContact OD2-CZ 2.9Å; D264-R310 IonicContact OD2-NH1 3.69Å; D264-R310 PolarHBondContact OD2-NH1 3.19Å; D264-R310 IonicContact OD2-NH2 3.12Å; D264-R310 PolarHBondContact OD2-NH2 3.18Å; D264-M314 HydrophobicContact CB-CE 4.24Å
265	E	92.9	Very high	94.6	Very high	59 Å²	59	38 Å²	38	28%	0.276	20%	0.195	S	C	.	.	H	α-helix	trans	-53	-39.9	176.3	-62.5	169.8	-173.7	0	0	113	R235 A237 P263 L267 E268 V269	R235-E265 IonicContact CZ-OE2 3.99Å; R235-E265 IonicContact NH1-OE1 3.33Å; R235-E265 PolarHBondContact NH1-OE1 3.16Å; R235-E265 IonicContact NH1-OE2 2.85Å; R235-E265 PolarHBondContact NH1-OE2 3.22Å; R235-E265 IonicContact NH2-OE2 2.61Å; R235-E265 PolarHBondContact NH2-OE2 2.58Å; A237-E265 HydrophobicContact CB-CB 4.07Å; P263-E265 PolarHBondContact O-N 2.88Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-E268 PolarHBondContact O-N 3.32Å; E265-V269 WeakPolarHBondContact O-CG2 3.29Å; E265-V269 PolarHBondContact O-N 2.9Å; E265-V269 VanDerWaalsContact O-N 3.1Å
266	V	95.6	Very high	94.8	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-40.1	177.5	174.4	0	0	0	0	109.9	F236 A237 L240 F262 P263 D264 M270	F236-V266 HydrophobicContact CD1-CG1 4.14Å; F236-V266 HydrophobicContact CD1-CG2 4.17Å; F236-V266 HydrophobicContact CE1-CG1 4.26Å; A237-V266 HydrophobicContact CB-CG2 3.98Å; L240-V266 HydrophobicContact CD1-CG1 4.29Å; F262-V266 HydrophobicContact CD1-CG1 4.03Å; F262-V266 HydrophobicContact CE1-CG1 4.28Å; P263-V266 HydrophobicContact CG-CG2 4.04Å; P263-V266 PolarHBondContact O-N 3.37Å; P263-V266 VanDerWaalsContact O-N 3.07Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 2.85Å; V266-M270 HydrophobicContact CG1-SD 4.23Å; V266-M270 WeakPolarHBondContact O-CB 3.36Å; V266-M270 WeakPolarHBondContact O-CG 3.46Å; V266-M270 PolarHBondContact O-N 3.25Å
267	L	96.6	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.8	-34.5	179.8	-55.6	-177.9	0	0	0	111.9	F262 D264 E265 M270 K271 I280 I311 M314 I315	F262-L267 HydrophobicContact CD1-CD2 4.09Å; D264-L267 CarbonylContact O-C 3.4Å; D264-L267 WeakPolarHBondContact O-CA 3.49Å; D264-L267 WeakPolarHBondContact O-CB 3.44Å; D264-L267 PolarHBondContact O-N 3.01Å; E265-L267 VanDerWaalsContact C-N 3.33Å; L267-M270 PolarHBondContact O-N 2.8Å; L267-K271 VanDerWaalsContact O-CB 3.29Å; L267-K271 WeakPolarHBondContact O-CB 3.34Å; L267-K271 PolarHBondContact O-N 2.79Å; L267-I280 HydrophobicContact CD2-CD1 4Å; L267-I311 HydrophobicContact CD1-CG1 3.8Å; L267-I311 HydrophobicContact CD2-CG1 3.84Å; L267-M314 HydrophobicContact CB-CB 4.47Å; L267-M314 HydrophobicContact CB-CE 3.65Å; L267-M314 HydrophobicContact CB-SD 3.92Å; L267-M314 HydrophobicContact CD1-SD 3.78Å; L267-I315 HydrophobicContact CB-CD1 4.45Å; L267-I315 HydrophobicContact CD2-CD1 4.23Å
268	E	96.8	Very high	95.2	Very high	89 Å²	89	37.3 Å²	37.3	42%	0.416	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-52.1	174.7	-73.2	169.1	178.7	0	0	111.1	D264 E265 M270 K271 E272 M314	D264-E268 WeakPolarHBondContact O-CG 3.36Å; D264-E268 PolarHBondContact O-N 3.31Å; E265-E268 PolarHBondContact O-N 3.32Å; E268-M270 VanDerWaalsContact C-N 3.29Å; E268-M270 PolarHBondContact O-N 2.76Å; E268-K271 WeakPolarHBondContact O-CA 3.47Å; E268-K271 WeakPolarHBondContact O-CB 3.28Å; E268-K271 PolarHBondContact O-N 3.05Å; E268-E272 WeakPolarHBondContact O-CG 3.34Å; E268-E272 PolarHBondContact O-N 2.63Å; E268-M314 HydrophobicContact CG-CE 3.59Å
269	V	96.8	Very high	95.2	Very high	17 Å²	17	37.1 Å²	37.1	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-43.7	175	174.9	0	0	0	0	110.5	A237 L240 D241 E265 K271 E272 R273 I276	A237-V269 HydrophobicContact CB-CG2 4.47Å; L240-V269 HydrophobicContact CB-CG1 3.93Å; D241-V269 HydrophobicContact CB-CG1 4.02Å; D241-V269 HydrophobicContact CB-CG2 4.19Å; E265-V269 WeakPolarHBondContact O-CG2 3.29Å; E265-V269 PolarHBondContact O-N 2.9Å; E265-V269 VanDerWaalsContact O-N 3.1Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 2.75Å; V269-E272 PolarHBondContact O-N 2.93Å; V269-R273 HydrophobicContact CG1-CG 3.94Å; V269-R273 VanDerWaalsContact O-CB 3.31Å; V269-R273 WeakPolarHBondContact O-CB 3.07Å; V269-R273 WeakPolarHBondContact O-CG 3.2Å; V269-R273 PolarHBondContact O-N 2.72Å; V269-I276 HydrophobicContact CG1-CD1 3.77Å
270	M	97.4	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-35.4	174.9	-75.4	-175.8	69.8	0	0	112.7	L240 F254 V266 L267 E268 I276 C277 K278 I280 I315	L240-M270 HydrophobicContact CD1-CG 4.44Å; F254-M270 HydrophobicContact CE1-CE 4.15Å; F254-M270 HydrophobicContact CE1-SD 3.93Å; F254-M270 HydrophobicContact CZ-CE 4.03Å; F254-M270 HydrophobicContact CZ-SD 3.68Å; V266-M270 HydrophobicContact CG1-SD 4.23Å; V266-M270 WeakPolarHBondContact O-CB 3.36Å; V266-M270 WeakPolarHBondContact O-CG 3.46Å; V266-M270 PolarHBondContact O-N 3.25Å; L267-M270 PolarHBondContact O-N 2.8Å; E268-M270 VanDerWaalsContact C-N 3.29Å; E268-M270 PolarHBondContact O-N 2.76Å; M270-I276 HydrophobicContact CG-CG2 3.94Å; M270-C277 VanDerWaalsContact CE-O 3.24Å; M270-C277 WeakPolarHBondContact CE-O 3.37Å; M270-K278 WeakPolarHBondContact O-CE 3.28Å; M270-K278 PolarHBondContact O-NZ 3Å; M270-I280 HydrophobicContact CE-CD1 3.81Å; M270-I280 HydrophobicContact CE-CG1 3.6Å; M270-I280 HydrophobicContact SD-CD1 4Å; M270-I280 HydrophobicContact SD-CG1 4.22Å; M270-I315 HydrophobicContact CB-CD1 3.69Å; M270-I315 HydrophobicContact CE-CD1 4.23Å; M270-I315 HydrophobicContact SD-CD1 4.41Å
271	K	96.5	Very high	95.2	Very high	128 Å²	128	37.2 Å²	37.2	56%	0.557	19%	0.187	S	C	*	.	H	α-helix	trans	-69.5	-47.2	177.8	178.9	-168.6	-179.9	-173.8	0	111.1	L267 E268 V269 M314 I315	L267-K271 VanDerWaalsContact O-CB 3.29Å; L267-K271 WeakPolarHBondContact O-CB 3.34Å; L267-K271 PolarHBondContact O-N 2.79Å; E268-K271 WeakPolarHBondContact O-CA 3.47Å; E268-K271 WeakPolarHBondContact O-CB 3.28Å; E268-K271 PolarHBondContact O-N 3.05Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 2.75Å; K271-M314 VanDerWaalsContact CD-O 3.26Å; K271-M314 WeakPolarHBondContact CD-O 2.97Å; K271-M314 WeakPolarHBondContact CG-O 3.28Å; K271-I315 HydrophobicContact CB-CG1 4.33Å
272	E	96.3	Very high	95.3	Very high	136 Å²	136	36.5 Å²	36.5	64%	0.636	18%	0.184	S	C	*	.	H	α-helix	trans	-74	-35.7	-172.8	-69.4	178.1	179.9	0	0	113.4	E268 V269	E268-E272 WeakPolarHBondContact O-CG 3.34Å; E268-E272 PolarHBondContact O-N 2.63Å; V269-E272 PolarHBondContact O-N 2.93Å
273	R	96.3	Very high	95.4	Very high	66 Å²	66	37 Å²	37	25%	0.249	19%	0.187	C	C	.	.			trans	-90.7	110	-174	-55	-59.2	-175.5	-170.7	-0.8	111.1	D241 S244 V269 N275 I276 K278	D241-R273 IonicContact OD1-CZ 3.7Å; D241-R273 IonicContact OD1-NE 2.65Å; D241-R273 PolarHBondContact OD1-NE 3.05Å; D241-R273 IonicContact OD1-NH2 3.17Å; D241-R273 PolarHBondContact OD1-NH2 3.23Å; D241-R273 IonicContact OD2-NH2 2.71Å; S244-R273 WeakPolarHBondContact OG-CD 3.34Å; S244-R273 VanDerWaalsContact OG-CG 3.3Å; S244-R273 WeakPolarHBondContact OG-CG 3.13Å; S244-R273 PolarHBondContact OG-NE 3.35Å; V269-R273 HydrophobicContact CG1-CG 3.94Å; V269-R273 VanDerWaalsContact O-CB 3.31Å; V269-R273 WeakPolarHBondContact O-CB 3.07Å; V269-R273 WeakPolarHBondContact O-CG 3.2Å; V269-R273 PolarHBondContact O-N 2.72Å; R273-N275 VanDerWaalsContact C-N 3.28Å; R273-N275 PolarHBondContact O-N 2.99Å; R273-I276 HydrophobicContact CB-CB 4.39Å; R273-I276 HydrophobicContact CB-CD1 3.64Å; R273-I276 HydrophobicContact CB-CG1 3.77Å; R273-I276 HydrophobicContact CG-CD1 3.98Å; R273-I276 PolarHBondContact O-N 3.08Å; R273-K278 PolarHBondContact O-NZ 2.83Å
274	S	94.2	Very high	95.6	Very high	112 Å²	112	36.6 Å²	36.6	78%	0.783	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.7	-177.7	58.7	0	0	0	0	113.9	I276	S274-I276 VanDerWaalsContact C-N 3.34Å
275	N	96	Very high	95.6	Very high	16 Å²	16	34.6 Å²	34.6	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.8	179.6	63.2	-24.6	0	0	0	114.2	S244 A247 P248 M250 R251 I252 R273	S244-N275 PolarHBondContact O-ND2 3.06Å; A247-N275 PolarHBondContact O-ND2 3.39Å; P248-N275 VanDerWaalsContact O-CB 3.31Å; P248-N275 WeakPolarHBondContact O-CB 3.18Å; M250-N275 WeakPolarHBondContact O-CB 3.33Å; M250-N275 PolarHBondContact O-ND2 2.85Å; R251-N275 CarbonylContact C-O 3.59Å; R251-N275 VanDerWaalsContact CA-O 3.29Å; R251-N275 WeakPolarHBondContact CA-O 3.37Å; I252-N275 PolarHBondContact N-O 3.25Å; R273-N275 VanDerWaalsContact C-N 3.28Å; R273-N275 PolarHBondContact O-N 2.99Å
276	I	97.2	Very high	95.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-90.2	127.9	171.2	-57.1	179.7	0	0	0	109.6	L240 I252 F254 V269 M270 R273 S274 K278	L240-I276 HydrophobicContact CB-CD1 3.99Å; L240-I276 HydrophobicContact CD2-CD1 4.48Å; I252-I276 HydrophobicContact CB-CG1 4.41Å; F254-I276 HydrophobicContact CE1-CG2 4.49Å; V269-I276 HydrophobicContact CG1-CD1 3.77Å; M270-I276 HydrophobicContact CG-CG2 3.94Å; R273-I276 HydrophobicContact CB-CB 4.39Å; R273-I276 HydrophobicContact CB-CD1 3.64Å; R273-I276 HydrophobicContact CB-CG1 3.77Å; R273-I276 HydrophobicContact CG-CD1 3.98Å; R273-I276 PolarHBondContact O-N 3.08Å; S274-I276 VanDerWaalsContact C-N 3.34Å; I276-K278 PolarHBondContact O-N 2.73Å; I276-K278 PolarHBondContact O-NZ 2.88Å
277	C	95.6	Very high	95.7	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	16%	0.161	C	C	.	.			trans	-60.7	134.9	-178.7	-75.7	0	0	0	0	113.2	R251 I252 R253 M270 C279 D409	R251-C277 WeakPolarHBondContact CD-SG 3.37Å; R251-C277 WeakPolarHBondContact CG-SG 3.26Å; I252-C277 PolarHBondContact O-N 3.31Å; R253-C277 PolarHBondContact NH2-SG 3.49Å; R253-C277 VanDerWaalsContact NH2-SG 3.43Å; M270-C277 VanDerWaalsContact CE-O 3.24Å; M270-C277 WeakPolarHBondContact CE-O 3.37Å; C277-C279 HydrophobicContact CB-CB 4.49Å; C277-C279 PolarHBondContact O-N 3.35Å; C277-D409 VanDerWaalsContact CA-OD1 3.27Å; C277-D409 WeakPolarHBondContact CA-OD1 3.46Å; C277-D409 PolarHBondContact SG-OD1 2.94Å; C277-D409 VanDerWaalsContact SG-OD1 3.33Å
278	K	94.8	Very high	95.7	Very high	40 Å²	40	31.8 Å²	31.8	17%	0.174	16%	0.161	C	C	.	.	S	Bend	trans	-85.1	46.5	172	-45.3	-52.7	-176.9	-120.7	0	110.5	M270 R273 I276 I315 V318 T319 D409	M270-K278 WeakPolarHBondContact O-CE 3.28Å; M270-K278 PolarHBondContact O-NZ 3Å; R273-K278 PolarHBondContact O-NZ 2.83Å; I276-K278 PolarHBondContact O-N 2.73Å; I276-K278 PolarHBondContact O-NZ 2.88Å; K278-I315 HydrophobicContact CB-CG2 4.1Å; K278-I315 HydrophobicContact CD-CG2 3.71Å; K278-I315 HydrophobicContact CG-CG2 4.16Å; K278-V318 WeakPolarHBondContact O-CA 3.33Å; K278-T319 PolarHBondContact O-N 3.35Å; K278-T319 PolarHBondContact O-OG1 3.1Å; K278-D409 VanDerWaalsContact CA-OD2 3.29Å; K278-D409 WeakPolarHBondContact CA-OD2 3.46Å; K278-D409 WeakPolarHBondContact CB-OD2 3.49Å; K278-D409 PolarHBondContact N-OD2 3.33Å
279	C	93.5	Very high	95.8	Very high	11 Å²	11	30.2 Å²	30.2	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.5	175.2	-170.9	0	0	0	0	109.3	C277 T319 D409	C277-C279 HydrophobicContact CB-CB 4.49Å; C277-C279 PolarHBondContact O-N 3.35Å; C279-T319 WeakPolarHBondContact CA-O 3.28Å; C279-T319 WeakPolarHBondContact CA-OG1 3.13Å; C279-T319 WeakPolarHBondContact CB-OG1 3.28Å; C279-T319 PolarHBondContact SG-OG1 3.23Å; C279-T319 VanDerWaalsContact SG-OG1 3.33Å; C279-D409 WeakPolarHBondContact CB-O 3.28Å
280	I	95.8	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.4	178.4	-63.5	178	0	0	0	108.6	F262 L267 M270 L282 I311 I315 V318 T319 L320 T321	F262-I280 HydrophobicContact CE1-CD1 4.32Å; F262-I280 HydrophobicContact CE1-CG2 4.02Å; F262-I280 HydrophobicContact CE2-CG2 3.99Å; F262-I280 HydrophobicContact CZ-CG2 3.54Å; L267-I280 HydrophobicContact CD2-CD1 4Å; M270-I280 HydrophobicContact CE-CD1 3.81Å; M270-I280 HydrophobicContact CE-CG1 3.6Å; M270-I280 HydrophobicContact SD-CD1 4Å; M270-I280 HydrophobicContact SD-CG1 4.22Å; I280-L282 HydrophobicContact CG2-CB 4.24Å; I280-L282 HydrophobicContact CG2-CD1 4.31Å; I280-I311 HydrophobicContact CD1-CD1 4.29Å; I280-I311 HydrophobicContact CD1-CG1 4.36Å; I280-I311 HydrophobicContact CD1-CG2 3.75Å; I280-I315 HydrophobicContact CD1-CD1 4.33Å; I280-V318 HydrophobicContact CD1-CG2 4.15Å; I280-V318 HydrophobicContact CG1-CG2 4.15Å; I280-T319 PolarHBondContact N-O 3.44Å; I280-L320 HydrophobicContact CB-CD2 3.9Å; I280-L320 HydrophobicContact CG2-CD2 4.43Å; I280-L320 WeakPolarHBondContact O-CA 3.32Å; I280-T321 PolarHBondContact O-N 2.83Å
281	H	94.7	Very high	95.6	Very high	17 Å²	17	36.3 Å²	36.3	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.1	163.2	-173.2	59.3	0	0	0	108.2	P257 T321 D323 Y352	P257-H281 HydrophobicContact CG-CB 4.38Å; P257-H281 WeakPolarHBondContact CG-O 3.28Å; H281-T321 CarbonylContact C-O 3.56Å; H281-T321 WeakPolarHBondContact CA-O 3.39Å; H281-T321 WeakPolarHBondContact CA-OG1 3.33Å; H281-T321 PolarHBondContact ND1-OG1 3.19Å; H281-D323 IonicContact CE1-OD1 3.96Å; H281-D323 PolarHBondContact CE1-OD1 2.98Å; H281-D323 IonicContact NE2-OD1 3.24Å; H281-D323 PolarHBondContact NE2-OD1 3.01Å; H281-D323 IonicContact NE2-OD2 3.26Å; H281-Y352 AromaticContact CE1-CD2 3.86Å
282	L	95.5	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.			trans	-131.8	77.6	-172	-163.8	67.4	0	0	0	110.6	P259 F262 I280 A284 Y304 L307 V308 I311 T321 S322	P259-L282 HydrophobicContact CB-CD1 3.78Å; P259-L282 HydrophobicContact CB-CG 4.33Å; P259-L282 HydrophobicContact CG-CD1 3.87Å; P259-L282 HydrophobicContact CG-CG 4.11Å; F262-L282 HydrophobicContact CD2-CD1 3.74Å; F262-L282 HydrophobicContact CE2-CD1 3.69Å; I280-L282 HydrophobicContact CG2-CB 4.24Å; I280-L282 HydrophobicContact CG2-CD1 4.31Å; L282-A284 PolarHBondContact O-N 3.09Å; L282-Y304 HydrophobicContact CD2-CE1 4.33Å; L282-Y304 HydrophobicContact CD2-CE2 3.91Å; L282-Y304 WeakPolarHBondContact CD2-OH 3.28Å; L282-Y304 HydrophobicContact CG-CE2 3.77Å; L282-Y304 WeakPolarHBondContact CG-OH 3.4Å; L282-Y304 PolarHBondContact O-OH 2.87Å; L282-L307 HydrophobicContact CD1-CD2 4.11Å; L282-L307 HydrophobicContact CD2-CD2 4.45Å; L282-V308 HydrophobicContact CD2-CG2 3.83Å; L282-I311 HydrophobicContact CD1-CD1 4.46Å; L282-I311 HydrophobicContact CD2-CD1 4.05Å; L282-T321 PolarHBondContact N-O 3.45Å; L282-S322 WeakPolarHBondContact O-CB 3.39Å; L282-S322 PolarHBondContact O-OG 3.47Å
283	P	95.4	Very high	95.6	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.078	16%	0.159	C	C	.	.			trans	-57.2	103.7	-173.8	-26.5	34.9	0	0	0	114.2	P257 P259 R297 Y299 D323	P257-P283 WeakPolarHBondContact O-CD 3.32Å; P259-P283 VanDerWaalsContact CG-O 3.31Å; P259-P283 WeakPolarHBondContact CG-O 3.5Å; P283-R297 PolarHBondContact O-NH2 2.86Å; P283-Y299 PolarHBondContact O-OH 2.8Å; P283-D323 HydrophobicContact CB-CB 4.15Å
284	A	95.9	Very high	95.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.165	C	C	.	.			trans	-77.9	-38.8	177.2	0	0	0	0	0	111.9	L282 S286 L292 Y299 Y304 S322 F324 L342	L282-A284 PolarHBondContact O-N 3.09Å; A284-S286 PolarHBondContact O-N 3.24Å; A284-L292 VanDerWaalsContact O-CD2 3.32Å; A284-L292 WeakPolarHBondContact O-CD2 3.34Å; A284-Y299 PolarHBondContact O-OH 2.69Å; A284-Y304 HydrophobicContact CB-CD2 4.49Å; A284-Y304 HydrophobicContact CB-CE1 4.27Å; A284-Y304 HydrophobicContact CB-CE2 3.82Å; A284-S322 PolarHBondContact N-OG 3.19Å; A284-F324 HydrophobicContact CB-CE1 3.78Å; A284-F324 HydrophobicContact CB-CZ 3.93Å; A284-L342 HydrophobicContact CB-CD2 4.01Å
285	Q	94.5	Very high	95.4	Very high	15 Å²	15	27.5 Å²	27.5	7%	0.07	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	70.1	-45.5	-174.7	-51.7	-66.1	-22.9	0	0	114.5	Y158 M295 D323 I325	Y158-Q285 WeakPolarHBondContact OH-CG 3.41Å; Q285-M295 HydrophobicContact CB-SD 3.77Å; Q285-D323 VanDerWaalsContact CA-O 3.28Å; Q285-D323 WeakPolarHBondContact CA-O 3.18Å; Q285-D323 PolarHBondContact N-O 2.62Å; Q285-I325 PolarHBondContact O-N 3.5Å; Q285-I325 VanDerWaalsContact OE1-CG1 3.27Å
286	S	94.8	Very high	95.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.139	C	C	.	.			trans	-150.7	158.8	176.1	-177	0	0	0	0	110.7	A284 S288 V291 T339	A284-S286 PolarHBondContact O-N 3.24Å; S286-S288 PolarHBondContact OG-N 3.39Å; S286-V291 WeakPolarHBondContact OG-CB 3.41Å; S286-V291 WeakPolarHBondContact OG-CG1 3.23Å; S286-T339 PolarHBondContact OG-OG1 2.95Å
287	G	95.7	Very high	95.1	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	14%	0.141	C	C	.	.	S	Bend	trans	-103	12	168.6	0	0	0	0	0	114.4	V301 E338 T339	G287-V301 VanDerWaalsContact C-CG2 3.48Å; G287-V301 WeakPolarHBondContact O-CG2 3.14Å; G287-E338 WeakPolarHBondContact O-CB 3.45Å; G287-T339 PolarHBondContact N-OG1 3.34Å
288	S	96.1	Very high	95	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.			trans	-108.3	127	174.8	158.5	0	0	0	0	111.6	S286 K290 V291 L292 D335 E338	S286-S288 PolarHBondContact OG-N 3.39Å; S288-K290 VanDerWaalsContact C-N 3.28Å; S288-K290 PolarHBondContact O-N 3.09Å; S288-K290 PolarHBondContact OG-N 3.11Å; S288-V291 PolarHBondContact O-N 3.35Å; S288-V291 VanDerWaalsContact O-N 3.14Å; S288-V291 PolarHBondContact OG-N 3.34Å; S288-L292 VanDerWaalsContact O-CG 3.28Å; S288-L292 WeakPolarHBondContact O-CG 3.21Å; S288-L292 PolarHBondContact O-N 3.43Å; S288-D335 WeakPolarHBondContact CB-OD1 3.3Å; S288-D335 PolarHBondContact OG-OD1 3.46Å; S288-E338 VanDerWaalsContact CA-OE2 3.23Å; S288-E338 WeakPolarHBondContact CA-OE2 3.37Å; S288-E338 WeakPolarHBondContact CB-OE2 3.37Å
289	N	98.1	Very high	95	Very high	55 Å²	55	30 Å²	30	29%	0.294	15%	0.147	S	C	.	.	H	α-helix	trans	-59.1	-38.7	177.1	-79.3	-24.8	0	0	0	112.1	V291 L292 E293 T300 V301 E302	N289-V291 VanDerWaalsContact C-N 3.35Å; N289-V291 PolarHBondContact O-N 2.87Å; N289-L292 PolarHBondContact O-N 3.1Å; N289-E293 WeakPolarHBondContact O-CB 3.48Å; N289-E293 PolarHBondContact O-N 2.94Å; N289-T300 WeakPolarHBondContact OD1-CA 3.42Å; N289-T300 VanDerWaalsContact OD1-CB 3.26Å; N289-T300 WeakPolarHBondContact OD1-CB 3.49Å; N289-V301 WeakPolarHBondContact OD1-CG2 3.28Å; N289-V301 PolarHBondContact OD1-N 3.31Å; N289-E302 PolarHBondContact ND2-OE1 2.96Å; N289-E302 PolarHBondContact ND2-OE2 3.02Å
290	K	96.4	Very high	95.2	Very high	145 Å²	145	32.4 Å²	32.4	63%	0.63	16%	0.161	S	C	*	.	H	α-helix	trans	-63.7	-39.9	176.7	-63.2	175.7	-176.7	170.4	0	111.8	S288 R294	S288-K290 VanDerWaalsContact C-N 3.28Å; S288-K290 PolarHBondContact O-N 3.09Å; S288-K290 PolarHBondContact OG-N 3.11Å; K290-R294 WeakPolarHBondContact O-CG 3.44Å; K290-R294 PolarHBondContact O-N 3.34Å; K290-R294 PolarHBondContact O-NE 3.14Å
291	V	94.9	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.9	-45	176.3	177.2	0	0	0	0	110.9	S286 S288 N289 E293 R294 M295 F328 E331 D335	S286-V291 WeakPolarHBondContact OG-CB 3.41Å; S286-V291 WeakPolarHBondContact OG-CG1 3.23Å; S288-V291 PolarHBondContact O-N 3.35Å; S288-V291 VanDerWaalsContact O-N 3.14Å; S288-V291 PolarHBondContact OG-N 3.34Å; N289-V291 VanDerWaalsContact C-N 3.35Å; N289-V291 PolarHBondContact O-N 2.87Å; V291-E293 VanDerWaalsContact C-N 3.31Å; V291-E293 PolarHBondContact O-N 3.06Å; V291-R294 VanDerWaalsContact CG2-NH2 3.31Å; V291-R294 PolarHBondContact O-N 3.45Å; V291-M295 HydrophobicContact CG1-CE 3.56Å; V291-M295 HydrophobicContact CG1-CG 4.19Å; V291-M295 HydrophobicContact CG1-SD 3.97Å; V291-M295 WeakPolarHBondContact O-CB 3.42Å; V291-M295 VanDerWaalsContact O-CG 3.3Å; V291-M295 WeakPolarHBondContact O-CG 3.45Å; V291-M295 PolarHBondContact O-N 2.85Å; V291-F328 HydrophobicContact CG1-CB 4.29Å; V291-F328 HydrophobicContact CG1-CD1 4.02Å; V291-F328 HydrophobicContact CG1-CG 4.38Å; V291-E331 HydrophobicContact CG2-CB 4.3Å; V291-E331 HydrophobicContact CG2-CG 4.21Å; V291-D335 HydrophobicContact CG2-CB 3.77Å
292	L	96.6	Very high	95.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-39.8	178.7	-70.4	173.3	0	0	0	112.5	A284 S288 N289 M295 N296 R297 Y299 V301	A284-L292 VanDerWaalsContact O-CD2 3.32Å; A284-L292 WeakPolarHBondContact O-CD2 3.34Å; S288-L292 VanDerWaalsContact O-CG 3.28Å; S288-L292 WeakPolarHBondContact O-CG 3.21Å; S288-L292 PolarHBondContact O-N 3.43Å; N289-L292 PolarHBondContact O-N 3.1Å; L292-M295 PolarHBondContact O-N 3.37Å; L292-N296 PolarHBondContact O-N 2.73Å; L292-R297 HydrophobicContact CB-CB 4.36Å; L292-R297 HydrophobicContact CB-CG 4.44Å; L292-R297 HydrophobicContact CD2-CB 4.24Å; L292-R297 HydrophobicContact CD2-CG 3.8Å; L292-R297 PolarHBondContact O-N 3.18Å; L292-R297 VanDerWaalsContact O-N 3.09Å; L292-Y299 HydrophobicContact CD1-CD2 4.35Å; L292-Y299 HydrophobicContact CD1-CE2 4.06Å; L292-Y299 HydrophobicContact CD2-CE2 4.06Å; L292-V301 HydrophobicContact CD1-CG2 3.81Å
293	E	95.5	Very high	95.6	Very high	157 Å²	157	37.6 Å²	37.6	73%	0.734	19%	0.188	S	C	*	.	H	α-helix	trans	-62.1	-51.7	174.3	-175	-179.8	-170.7	0	0	111.2	N289 V291 M295 N296	N289-E293 WeakPolarHBondContact O-CB 3.48Å; N289-E293 PolarHBondContact O-N 2.94Å; V291-E293 VanDerWaalsContact C-N 3.31Å; V291-E293 PolarHBondContact O-N 3.06Å; E293-M295 PolarHBondContact O-N 3.33Å; E293-N296 WeakPolarHBondContact O-CA 3.39Å; E293-N296 PolarHBondContact O-N 3.42Å
294	R	93.7	Very high	95.8	Very high	98 Å²	98	37.1 Å²	37.1	37%	0.37	18%	0.184	S	C	.	.	H	α-helix	trans	-62.6	-28.1	176.1	-67.6	179.4	-68.2	-152.4	2.7	113.1	T157 K290 V291 N296 F328 G330 D335	T157-R294 VanDerWaalsContact CG2-O 3.29Å; T157-R294 WeakPolarHBondContact CG2-O 3.45Å; T157-R294 PolarHBondContact OG1-O 3.19Å; K290-R294 WeakPolarHBondContact O-CG 3.44Å; K290-R294 PolarHBondContact O-N 3.34Å; K290-R294 PolarHBondContact O-NE 3.14Å; V291-R294 VanDerWaalsContact CG2-NH2 3.31Å; V291-R294 PolarHBondContact O-N 3.45Å; R294-N296 PolarHBondContact O-N 3.33Å; R294-F328 HydrophobicContact CB-CE1 3.77Å; R294-G330 PolarHBondContact NH1-O 2.88Å; R294-G330 PolarHBondContact NH2-O 3.35Å; R294-G330 VanDerWaalsContact NH2-O 3.09Å; R294-D335 IonicContact NH2-OD2 3.08Å; R294-D335 PolarHBondContact NH2-OD2 3.19Å
295	M	93.4	Very high	95.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.5	173	-77.8	-174.6	177.5	0	0	113.3	C156 T157 Y158 Q285 V291 L292 E293 R297 I325 F328	C156-M295 WeakPolarHBondContact CA-O 3.3Å; T157-M295 PolarHBondContact N-O 3.36Å; T157-M295 VanDerWaalsContact N-O 3.15Å; T157-M295 VanDerWaalsContact OG1-CA 3.3Å; T157-M295 WeakPolarHBondContact OG1-CA 3.41Å; Y158-M295 HydrophobicContact CD1-CB 4.08Å; Y158-M295 HydrophobicContact CD1-CG 3.9Å; Y158-M295 HydrophobicContact CD1-SD 4.33Å; Y158-M295 HydrophobicContact CE1-CB 3.93Å; Y158-M295 HydrophobicContact CE1-CG 4.03Å; Y158-M295 HydrophobicContact CE1-SD 4.1Å; Q285-M295 HydrophobicContact CB-SD 3.77Å; V291-M295 HydrophobicContact CG1-CE 3.56Å; V291-M295 HydrophobicContact CG1-CG 4.19Å; V291-M295 HydrophobicContact CG1-SD 3.97Å; V291-M295 WeakPolarHBondContact O-CB 3.42Å; V291-M295 VanDerWaalsContact O-CG 3.3Å; V291-M295 WeakPolarHBondContact O-CG 3.45Å; V291-M295 PolarHBondContact O-N 2.85Å; L292-M295 PolarHBondContact O-N 3.37Å; E293-M295 PolarHBondContact O-N 3.33Å; M295-R297 HydrophobicContact CB-CG 3.78Å; M295-I325 HydrophobicContact CE-CB 4.01Å; M295-I325 HydrophobicContact CE-CG2 4.15Å; M295-F328 HydrophobicContact CE-CB 3.64Å; M295-F328 HydrophobicContact CE-CD1 4.18Å; M295-F328 HydrophobicContact CE-CD2 3.7Å; M295-F328 HydrophobicContact CE-CE2 4.44Å; M295-F328 HydrophobicContact CE-CG 3.55Å; M295-F328 HydrophobicContact CG-CD1 4.16Å; M295-F328 HydrophobicContact CG-CD2 4.15Å; M295-F328 HydrophobicContact CG-CE1 3.95Å; M295-F328 HydrophobicContact CG-CE2 3.98Å; M295-F328 HydrophobicContact CG-CG 4.25Å; M295-F328 HydrophobicContact CG-CZ 3.86Å
296	N	93.3	Very high	96.1	Very high	62 Å²	62	43.5 Å²	43.5	33%	0.332	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	52.5	-174	-169.6	30.4	0	0	0	112.6	M155 T157 I226 L292 E293 R294	M155-N296 PolarHBondContact O-ND2 3.14Å; T157-N296 HydrophobicContact CG2-CB 3.98Å; I226-N296 WeakPolarHBondContact CD1-ND2 3.45Å; L292-N296 PolarHBondContact O-N 2.73Å; E293-N296 WeakPolarHBondContact O-CA 3.39Å; E293-N296 PolarHBondContact O-N 3.42Å; R294-N296 PolarHBondContact O-N 3.33Å
297	R	93.8	Very high	96.2	Very high	11 Å²	11	44 Å²	44	4%	0.042	22%	0.221	C	C	.	.			trans	-85.5	-26.5	-177.3	-68.1	-65.6	-64.5	143	-1.5	114.2	H258 P283 L292 M295 Y299	H258-R297 PolarHBondContact CD2-NH1 2.84Å; H258-R297 VanDerWaalsContact CD2-NH1 3.35Å; H258-R297 PolarHBondContact NE2-NH1 3.13Å; P283-R297 PolarHBondContact O-NH2 2.86Å; L292-R297 HydrophobicContact CB-CB 4.36Å; L292-R297 HydrophobicContact CB-CG 4.44Å; L292-R297 HydrophobicContact CD2-CB 4.24Å; L292-R297 HydrophobicContact CD2-CG 3.8Å; L292-R297 PolarHBondContact O-N 3.18Å; L292-R297 VanDerWaalsContact O-N 3.09Å; M295-R297 HydrophobicContact CB-CG 3.78Å; R297-Y299 HydrophobicContact CB-CD1 3.96Å; R297-Y299 HydrophobicContact CB-CE1 3.62Å; R297-Y299 HydrophobicContact CG-CE1 4.37Å; R297-Y299 VanDerWaalsContact CZ-OH 3.25Å; R297-Y299 PolarHBondContact NE-OH 3.49Å; R297-Y299 PolarHBondContact NH2-OH 2.7Å; R297-Y299 WeakPolarHBondContact O-CD1 3.49Å
298	G	92.3	Very high	96.3	Very high	24 Å²	24	43.9 Å²	43.9	25%	0.247	22%	0.22	C	C	.	.	S	Bend	trans	74.3	22.5	177.9	0	0	0	0	0	115.1	S224	S224-G298 PolarHBondContact N-O 2.95Å; S224-G298 WeakPolarHBondContact OG-CA 3.16Å; S224-G298 PolarHBondContact OG-O 2.94Å
299	Y	95.8	Very high	96.4	Very high	16 Å²	16	48.3 Å²	48.3	6%	0.063	24%	0.243	C	C	.	.			trans	-153.9	162.4	174.9	60.5	-95.8	0	0	0	111.1	F223 P283 A284 L292 R297 Y304	F223-Y299 AromaticContact CD1-CD1 3.36Å; F223-Y299 HydrophobicContact CD1-CD1 3.36Å; F223-Y299 HydrophobicContact CD1-CE1 4.26Å; F223-Y299 AromaticContact CD1-CG 3.55Å; F223-Y299 HydrophobicContact CD1-CG 3.55Å; F223-Y299 VanDerWaalsContact CE1-CB 3.44Å; F223-Y299 AromaticContact CE1-CD1 3.22Å; F223-Y299 HydrophobicContact CE1-CD1 3.22Å; F223-Y299 AromaticContact CE1-CD2 3.85Å; F223-Y299 HydrophobicContact CE1-CD2 3.85Å; F223-Y299 AromaticContact CE1-CE1 3.83Å; F223-Y299 HydrophobicContact CE1-CE1 3.83Å; F223-Y299 HydrophobicContact CE1-CE2 4.42Å; F223-Y299 AromaticContact CE1-CG 3.22Å; F223-Y299 HydrophobicContact CE1-CG 3.22Å; F223-Y299 HydrophobicContact CZ-CD1 4.36Å; F223-Y299 HydrophobicContact CZ-CD2 4.3Å; F223-Y299 AromaticContact CZ-CG 3.99Å; F223-Y299 HydrophobicContact CZ-CG 3.99Å; P283-Y299 PolarHBondContact O-OH 2.8Å; A284-Y299 PolarHBondContact O-OH 2.69Å; L292-Y299 HydrophobicContact CD1-CD2 4.35Å; L292-Y299 HydrophobicContact CD1-CE2 4.06Å; L292-Y299 HydrophobicContact CD2-CE2 4.06Å; R297-Y299 HydrophobicContact CB-CD1 3.96Å; R297-Y299 HydrophobicContact CB-CE1 3.62Å; R297-Y299 HydrophobicContact CG-CE1 4.37Å; R297-Y299 VanDerWaalsContact CZ-OH 3.25Å; R297-Y299 PolarHBondContact NE-OH 3.49Å; R297-Y299 PolarHBondContact NH2-OH 2.7Å; R297-Y299 WeakPolarHBondContact O-CD1 3.49Å; Y299-Y304 AromaticContact CE2-CD2 3.92Å; Y299-Y304 HydrophobicContact CE2-CD2 3.92Å; Y299-Y304 HydrophobicContact CE2-CG 4.45Å
300	T	98	Very high	96.3	Very high	60 Å²	60	51 Å²	51	37%	0.368	25%	0.249	S	C	.	.			trans	-101.9	166.5	174	76.8	0	0	0	0	111.9	N289 E302 A303 Y304	N289-T300 WeakPolarHBondContact OD1-CA 3.42Å; N289-T300 VanDerWaalsContact OD1-CB 3.26Å; N289-T300 WeakPolarHBondContact OD1-CB 3.49Å; T300-E302 WeakPolarHBondContact CB-OE2 3.19Å; T300-E302 PolarHBondContact O-N 2.93Å; T300-E302 PolarHBondContact OG1-N 3.32Å; T300-E302 PolarHBondContact OG1-OE2 3.24Å; T300-A303 PolarHBondContact O-N 2.99Å; T300-A303 PolarHBondContact OG1-N 2.94Å; T300-Y304 PolarHBondContact O-N 3.02Å
301	V	98.2	Very high	96.4	Very high	19 Å²	19	44.1 Å²	44.1	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-38.6	174.6	177.1	0	0	0	0	110.9	G287 N289 L292 Y304 L305 L342	G287-V301 VanDerWaalsContact C-CG2 3.48Å; G287-V301 WeakPolarHBondContact O-CG2 3.14Å; N289-V301 WeakPolarHBondContact OD1-CG2 3.28Å; N289-V301 PolarHBondContact OD1-N 3.31Å; L292-V301 HydrophobicContact CD1-CG2 3.81Å; V301-Y304 WeakPolarHBondContact O-CB 3.45Å; V301-Y304 PolarHBondContact O-N 3.07Å; V301-L305 HydrophobicContact CG1-CD1 4.12Å; V301-L305 HydrophobicContact CG1-CG 4.44Å; V301-L305 WeakPolarHBondContact O-CG 3.32Å; V301-L305 PolarHBondContact O-N 3.38Å; V301-L342 HydrophobicContact CG1-CD1 4.23Å
302	E	98.4	Very high	96.4	Very high	99 Å²	99	48.3 Å²	48.3	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-46.2	178.8	-58	71.7	-153.2	0	0	110.9	N289 T300 Y304 L305 N306	N289-E302 PolarHBondContact ND2-OE1 2.96Å; N289-E302 PolarHBondContact ND2-OE2 3.02Å; T300-E302 WeakPolarHBondContact CB-OE2 3.19Å; T300-E302 PolarHBondContact O-N 2.93Å; T300-E302 PolarHBondContact OG1-N 3.32Å; T300-E302 PolarHBondContact OG1-OE2 3.24Å; E302-Y304 VanDerWaalsContact C-N 3.28Å; E302-Y304 PolarHBondContact O-N 3.33Å; E302-L305 PolarHBondContact O-N 3.29Å; E302-N306 VanDerWaalsContact O-CG 3.26Å; E302-N306 PolarHBondContact O-N 2.81Å; E302-N306 PolarHBondContact O-ND2 3.06Å
303	A	97.7	Very high	96.5	Very high	8 Å²	8	52.8 Å²	52.8	7%	0.066	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-38.5	174.6	0	0	0	0	0	111.8	F223 T300 N306 L307	F223-A303 HydrophobicContact CE2-CB 4.25Å; T300-A303 PolarHBondContact O-N 2.99Å; T300-A303 PolarHBondContact OG1-N 2.94Å; A303-N306 PolarHBondContact O-N 3.34Å; A303-L307 PolarHBondContact O-N 3.13Å; A303-L307 VanDerWaalsContact O-N 3.07Å
304	Y	98.3	Very high	96.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-44.6	174.9	-176.4	-82.5	0	0	0	112.1	P259 L282 A284 Y299 T300 V301 E302 L307 V308 L342 V346 Y348	P259-Y304 HydrophobicContact CB-CD2 4.39Å; P259-Y304 HydrophobicContact CB-CE2 4.36Å; P259-Y304 HydrophobicContact CG-CD2 4.43Å; P259-Y304 HydrophobicContact CG-CE2 4.05Å; L282-Y304 HydrophobicContact CD2-CE1 4.33Å; L282-Y304 HydrophobicContact CD2-CE2 3.91Å; L282-Y304 WeakPolarHBondContact CD2-OH 3.28Å; L282-Y304 HydrophobicContact CG-CE2 3.77Å; L282-Y304 WeakPolarHBondContact CG-OH 3.4Å; L282-Y304 PolarHBondContact O-OH 2.87Å; A284-Y304 HydrophobicContact CB-CD2 4.49Å; A284-Y304 HydrophobicContact CB-CE1 4.27Å; A284-Y304 HydrophobicContact CB-CE2 3.82Å; Y299-Y304 AromaticContact CE2-CD2 3.92Å; Y299-Y304 HydrophobicContact CE2-CD2 3.92Å; Y299-Y304 HydrophobicContact CE2-CG 4.45Å; T300-Y304 PolarHBondContact O-N 3.02Å; V301-Y304 WeakPolarHBondContact O-CB 3.45Å; V301-Y304 PolarHBondContact O-N 3.07Å; E302-Y304 VanDerWaalsContact C-N 3.28Å; E302-Y304 PolarHBondContact O-N 3.33Å; Y304-L307 WeakPolarHBondContact O-CB 3.31Å; Y304-L307 PolarHBondContact O-N 3.47Å; Y304-V308 HydrophobicContact CD1-CG2 3.99Å; Y304-V308 HydrophobicContact CE1-CG2 3.56Å; Y304-V308 WeakPolarHBondContact O-CG2 3.28Å; Y304-V308 PolarHBondContact O-N 2.78Å; Y304-L342 HydrophobicContact CD1-CD1 4.24Å; Y304-L342 HydrophobicContact CE1-CD1 4.48Å; Y304-V346 HydrophobicContact CE1-CG2 4.39Å; Y304-Y348 WeakPolarHBondContact CE1-OH 3.5Å; Y304-Y348 PolarHBondContact OH-OH 2.91Å
305	L	98.4	Very high	96.7	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.225	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-41.8	177.2	-74.4	173.3	0	0	0	111.7	V301 E302 L307 V308 D309 L342 T345 V346	V301-L305 HydrophobicContact CG1-CD1 4.12Å; V301-L305 HydrophobicContact CG1-CG 4.44Å; V301-L305 WeakPolarHBondContact O-CG 3.32Å; V301-L305 PolarHBondContact O-N 3.38Å; E302-L305 PolarHBondContact O-N 3.29Å; L305-L307 VanDerWaalsContact C-N 3.28Å; L305-L307 PolarHBondContact O-N 2.92Å; L305-V308 WeakPolarHBondContact O-CB 3.39Å; L305-V308 PolarHBondContact O-N 3.09Å; L305-V308 VanDerWaalsContact O-N 3.07Å; L305-D309 PolarHBondContact O-N 3.15Å; L305-L342 HydrophobicContact CD2-CD1 3.67Å; L305-L342 HydrophobicContact CG-CD1 4.1Å; L305-T345 HydrophobicContact CD2-CG2 4.03Å; L305-V346 HydrophobicContact CD2-CG2 3.68Å
306	N	97.9	Very high	96.6	Very high	107 Å²	107	46.9 Å²	46.9	57%	0.572	25%	0.253	S	S	*	.	H	α-helix	trans	-58.3	-40.6	173.8	-70.7	-24.8	0	0	0	111.9	E302 A303 D309 R310	E302-N306 VanDerWaalsContact O-CG 3.26Å; E302-N306 PolarHBondContact O-N 2.81Å; E302-N306 PolarHBondContact O-ND2 3.06Å; A303-N306 PolarHBondContact O-N 3.34Å; N306-D309 PolarHBondContact O-N 3.15Å; N306-R310 WeakPolarHBondContact O-CB 3.49Å; N306-R310 PolarHBondContact O-N 3.19Å
307	L	97.6	Very high	96.3	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-42.4	174.1	176.6	61.9	0	0	0	111.8	F223 P259 F262 L282 A303 Y304 L305 D309 R310 I311	F223-L307 HydrophobicContact CE2-CB 4.21Å; F223-L307 HydrophobicContact CE2-CD2 4.03Å; F223-L307 HydrophobicContact CZ-CB 4.46Å; F223-L307 HydrophobicContact CZ-CD2 3.82Å; P259-L307 HydrophobicContact CB-CD2 4.1Å; P259-L307 WeakPolarHBondContact O-CD2 3.43Å; F262-L307 HydrophobicContact CB-CD1 4.19Å; L282-L307 HydrophobicContact CD1-CD2 4.11Å; L282-L307 HydrophobicContact CD2-CD2 4.45Å; A303-L307 PolarHBondContact O-N 3.13Å; A303-L307 VanDerWaalsContact O-N 3.07Å; Y304-L307 WeakPolarHBondContact O-CB 3.31Å; Y304-L307 PolarHBondContact O-N 3.47Å; L305-L307 VanDerWaalsContact C-N 3.28Å; L305-L307 PolarHBondContact O-N 2.92Å; L307-D309 VanDerWaalsContact C-N 3.35Å; L307-D309 PolarHBondContact O-N 3.39Å; L307-R310 PolarHBondContact O-N 2.66Å; L307-I311 HydrophobicContact CD1-CD1 3.97Å; L307-I311 HydrophobicContact CD1-CG1 4.15Å; L307-I311 HydrophobicContact CG-CD1 3.86Å; L307-I311 HydrophobicContact CG-CG1 4.47Å; L307-I311 WeakPolarHBondContact O-CB 3.17Å; L307-I311 VanDerWaalsContact O-CG1 3.26Å; L307-I311 WeakPolarHBondContact O-CG1 3.43Å; L307-I311 PolarHBondContact O-N 2.67Å
308	V	97.7	Very high	96.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-46.9	175.7	165.7	0	0	0	0	111.1	L282 Y304 L305 R310 I311 R312 L320 V346	L282-V308 HydrophobicContact CD2-CG2 3.83Å; Y304-V308 HydrophobicContact CD1-CG2 3.99Å; Y304-V308 HydrophobicContact CE1-CG2 3.56Å; Y304-V308 WeakPolarHBondContact O-CG2 3.28Å; Y304-V308 PolarHBondContact O-N 2.78Å; L305-V308 WeakPolarHBondContact O-CB 3.39Å; L305-V308 PolarHBondContact O-N 3.09Å; L305-V308 VanDerWaalsContact O-N 3.07Å; V308-R310 VanDerWaalsContact C-N 3.34Å; V308-I311 PolarHBondContact O-N 3.15Å; V308-R312 WeakPolarHBondContact O-CG 3.24Å; V308-R312 PolarHBondContact O-N 2.72Å; V308-L320 HydrophobicContact CG1-CD1 3.83Å; V308-L320 HydrophobicContact CG2-CD1 4.31Å; V308-V346 HydrophobicContact CG1-CG1 3.99Å; V308-V346 HydrophobicContact CG1-CG2 4.39Å; V308-V346 HydrophobicContact CG2-CG1 4.18Å; V308-V346 HydrophobicContact CG2-CG2 4.27Å
309	D	97.5	Very high	96.3	Very high	93 Å²	93	48 Å²	48	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-40	179.7	-68.7	-21.7	0	0	0	111.1	L305 N306 L307 R312 S313	L305-D309 PolarHBondContact O-N 3.15Å; N306-D309 PolarHBondContact O-N 3.15Å; L307-D309 VanDerWaalsContact C-N 3.35Å; L307-D309 PolarHBondContact O-N 3.39Å; D309-R312 PolarHBondContact O-N 2.95Å; D309-S313 WeakPolarHBondContact O-CB 3.25Å; D309-S313 PolarHBondContact O-N 3.29Å
310	R	96.9	Very high	96.2	Very high	111 Å²	111	47.3 Å²	47.3	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-47.1	174.8	-170.4	65.9	-175.1	-86.6	-0.1	112.1	D264 N306 L307 V308 R312 S313 M314	D264-R310 VanDerWaalsContact CG-CZ 3.44Å; D264-R310 IonicContact OD1-CZ 3.18Å; D264-R310 VanDerWaalsContact OD1-CZ 3.23Å; D264-R310 IonicContact OD1-NE 2.75Å; D264-R310 IonicContact OD1-NH1 3.31Å; D264-R310 PolarHBondContact OD1-NH1 2.86Å; D264-R310 IonicContact OD1-NH2 3.21Å; D264-R310 PolarHBondContact OD1-NH2 2.85Å; D264-R310 IonicContact OD2-CZ 2.9Å; D264-R310 IonicContact OD2-NH1 3.69Å; D264-R310 PolarHBondContact OD2-NH1 3.19Å; D264-R310 IonicContact OD2-NH2 3.12Å; D264-R310 PolarHBondContact OD2-NH2 3.18Å; N306-R310 WeakPolarHBondContact O-CB 3.49Å; N306-R310 PolarHBondContact O-N 3.19Å; L307-R310 PolarHBondContact O-N 2.66Å; V308-R310 VanDerWaalsContact C-N 3.34Å; R310-R312 VanDerWaalsContact C-N 3.34Å; R310-R312 PolarHBondContact O-N 3.01Å; R310-S313 PolarHBondContact O-N 2.85Å; R310-M314 HydrophobicContact CG-SD 3.97Å; R310-M314 PolarHBondContact NE-SD 3.17Å; R310-M314 VanDerWaalsContact NE-SD 3.39Å; R310-M314 WeakPolarHBondContact O-CG 3.13Å; R310-M314 PolarHBondContact O-N 3.24Å
311	I	97.8	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-47	176.6	-75.5	167.5	0	0	0	110.9	L267 I280 L282 L307 V308 M314 I315 V318 L320	L267-I311 HydrophobicContact CD1-CG1 3.8Å; L267-I311 HydrophobicContact CD2-CG1 3.84Å; I280-I311 HydrophobicContact CD1-CD1 4.29Å; I280-I311 HydrophobicContact CD1-CG1 4.36Å; I280-I311 HydrophobicContact CD1-CG2 3.75Å; L282-I311 HydrophobicContact CD1-CD1 4.46Å; L282-I311 HydrophobicContact CD2-CD1 4.05Å; L307-I311 HydrophobicContact CD1-CD1 3.97Å; L307-I311 HydrophobicContact CD1-CG1 4.15Å; L307-I311 HydrophobicContact CG-CD1 3.86Å; L307-I311 HydrophobicContact CG-CG1 4.47Å; L307-I311 WeakPolarHBondContact O-CB 3.17Å; L307-I311 VanDerWaalsContact O-CG1 3.26Å; L307-I311 WeakPolarHBondContact O-CG1 3.43Å; L307-I311 PolarHBondContact O-N 2.67Å; V308-I311 PolarHBondContact O-N 3.15Å; I311-M314 PolarHBondContact O-N 3.08Å; I311-I315 PolarHBondContact O-N 3.25Å; I311-V318 HydrophobicContact CG2-CB 4.43Å; I311-V318 HydrophobicContact CG2-CG1 3.76Å; I311-V318 HydrophobicContact CG2-CG2 4.01Å; I311-L320 HydrophobicContact CG2-CD2 4.04Å
312	R	96.5	Very high	95.6	Very high	88 Å²	88	44.1 Å²	44.1	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-37.4	179.8	-76.8	176.2	160.2	169.9	-5.7	113.1	V308 D309 R310 I315 V318 V346	V308-R312 WeakPolarHBondContact O-CG 3.24Å; V308-R312 PolarHBondContact O-N 2.72Å; D309-R312 PolarHBondContact O-N 2.95Å; R310-R312 VanDerWaalsContact C-N 3.34Å; R310-R312 PolarHBondContact O-N 3.01Å; R312-I315 CarbonylContact O-C 3.59Å; R312-V318 HydrophobicContact CG-CG1 4.03Å; R312-V346 PolarHBondContact NH2-O 2.85Å
313	S	97.6	Very high	95.3	Very high	96 Å²	96	40.9 Å²	40.9	67%	0.671	24%	0.237	S	C	*	.	H	α-helix	trans	-66.7	-45	176.6	-179.5	0	0	0	0	111.7	D309 R310	D309-S313 WeakPolarHBondContact O-CB 3.25Å; D309-S313 PolarHBondContact O-N 3.29Å; R310-S313 PolarHBondContact O-N 2.85Å
314	M	96.9	Very high	95	Very high	22 Å²	22	40.5 Å²	40.5	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-76.1	-33.2	-178	-68.4	179.2	71.1	0	0	113.2	D264 L267 E268 K271 R310 I311 P316	D264-M314 HydrophobicContact CB-CE 4.24Å; L267-M314 HydrophobicContact CB-CB 4.47Å; L267-M314 HydrophobicContact CB-CE 3.65Å; L267-M314 HydrophobicContact CB-SD 3.92Å; L267-M314 HydrophobicContact CD1-SD 3.78Å; E268-M314 HydrophobicContact CG-CE 3.59Å; K271-M314 VanDerWaalsContact CD-O 3.26Å; K271-M314 WeakPolarHBondContact CD-O 2.97Å; K271-M314 WeakPolarHBondContact CG-O 3.28Å; R310-M314 HydrophobicContact CG-SD 3.97Å; R310-M314 PolarHBondContact NE-SD 3.17Å; R310-M314 VanDerWaalsContact NE-SD 3.39Å; R310-M314 WeakPolarHBondContact O-CG 3.13Å; R310-M314 PolarHBondContact O-N 3.24Å; I311-M314 PolarHBondContact O-N 3.08Å; M314-P316 WeakPolarHBondContact O-CD 3.21Å
315	I	95.9	Very high	94.5	Very high	4 Å²	4	41 Å²	41	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-124.3	85.2	-176.5	-50.6	175.6	0	0	0	109.4	L267 M270 K271 K278 I280 I311 R312 G317 V318	L267-I315 HydrophobicContact CB-CD1 4.45Å; L267-I315 HydrophobicContact CD2-CD1 4.23Å; M270-I315 HydrophobicContact CB-CD1 3.69Å; M270-I315 HydrophobicContact CE-CD1 4.23Å; M270-I315 HydrophobicContact SD-CD1 4.41Å; K271-I315 HydrophobicContact CB-CG1 4.33Å; K278-I315 HydrophobicContact CB-CG2 4.1Å; K278-I315 HydrophobicContact CD-CG2 3.71Å; K278-I315 HydrophobicContact CG-CG2 4.16Å; I280-I315 HydrophobicContact CD1-CD1 4.33Å; I311-I315 PolarHBondContact O-N 3.25Å; R312-I315 CarbonylContact O-C 3.59Å; I315-G317 PolarHBondContact O-N 3.08Å; I315-V318 HydrophobicContact CB-CB 4.05Å; I315-V318 HydrophobicContact CG2-CB 3.88Å; I315-V318 HydrophobicContact CG2-CG2 4.4Å; I315-V318 VanDerWaalsContact O-CB 3.28Å; I315-V318 WeakPolarHBondContact O-CB 3.44Å; I315-V318 VanDerWaalsContact O-CG1 3.23Å; I315-V318 WeakPolarHBondContact O-CG1 3.44Å; I315-V318 PolarHBondContact O-N 2.98Å; I315-V318 VanDerWaalsContact O-N 3.15Å
316	P	91.2	Very high	94	Very high	105 Å²	105	39.1 Å²	39.1	68%	0.682	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	135	174.9	-26.2	35.2	0	0	0	111.8	M314 V318	M314-P316 WeakPolarHBondContact O-CD 3.21Å; P316-V318 VanDerWaalsContact C-N 3.28Å; P316-V318 PolarHBondContact O-N 3.12Å
317	G	87.9	Confident	93.4	Very high	75 Å²	75	34.2 Å²	34.2	77%	0.773	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	6.1	-179.4	0	0	0	0	0	115.3	I315 T319	I315-G317 PolarHBondContact O-N 3.08Å; G317-T319 PolarHBondContact O-N 3.44Å
318	V	94	Very high	93	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.103	20%	0.198	C	C	.	.			trans	-56.4	132	175.4	65.6	0	0	0	0	111.8	K278 I280 I311 R312 I315 P316 L320	K278-V318 WeakPolarHBondContact O-CA 3.33Å; I280-V318 HydrophobicContact CD1-CG2 4.15Å; I280-V318 HydrophobicContact CG1-CG2 4.15Å; I311-V318 HydrophobicContact CG2-CB 4.43Å; I311-V318 HydrophobicContact CG2-CG1 3.76Å; I311-V318 HydrophobicContact CG2-CG2 4.01Å; R312-V318 HydrophobicContact CG-CG1 4.03Å; I315-V318 HydrophobicContact CB-CB 4.05Å; I315-V318 HydrophobicContact CG2-CB 3.88Å; I315-V318 HydrophobicContact CG2-CG2 4.4Å; I315-V318 VanDerWaalsContact O-CB 3.28Å; I315-V318 WeakPolarHBondContact O-CB 3.44Å; I315-V318 VanDerWaalsContact O-CG1 3.23Å; I315-V318 WeakPolarHBondContact O-CG1 3.44Å; I315-V318 PolarHBondContact O-N 2.98Å; I315-V318 VanDerWaalsContact O-N 3.15Å; P316-V318 VanDerWaalsContact C-N 3.28Å; P316-V318 PolarHBondContact O-N 3.12Å; V318-L320 HydrophobicContact CG2-CD2 4.15Å
319	T	92.3	Very high	92.4	Very high	28 Å²	28	33.6 Å²	33.6	17%	0.172	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.1	171.9	59.6	0	0	0	0	110.5	K278 C279 I280 G317 V349 G410	K278-T319 PolarHBondContact O-N 3.35Å; K278-T319 PolarHBondContact O-OG1 3.1Å; C279-T319 WeakPolarHBondContact CA-O 3.28Å; C279-T319 WeakPolarHBondContact CA-OG1 3.13Å; C279-T319 WeakPolarHBondContact CB-OG1 3.28Å; C279-T319 PolarHBondContact SG-OG1 3.23Å; C279-T319 VanDerWaalsContact SG-OG1 3.33Å; I280-T319 PolarHBondContact N-O 3.44Å; G317-T319 PolarHBondContact O-N 3.44Å; T319-V349 HydrophobicContact CG2-CG2 3.97Å; T319-G410 WeakPolarHBondContact OG1-CA 3.45Å
320	L	93.3	Very high	91.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.6	178.3	-58.1	-179	0	0	0	110.6	I280 V308 I311 V318 V346 Y348 V349	I280-L320 HydrophobicContact CB-CD2 3.9Å; I280-L320 HydrophobicContact CG2-CD2 4.43Å; I280-L320 WeakPolarHBondContact O-CA 3.32Å; V308-L320 HydrophobicContact CG1-CD1 3.83Å; V308-L320 HydrophobicContact CG2-CD1 4.31Å; I311-L320 HydrophobicContact CG2-CD2 4.04Å; V318-L320 HydrophobicContact CG2-CD2 4.15Å; L320-V346 HydrophobicContact CD1-CG1 3.99Å; L320-Y348 HydrophobicContact CB-CD1 3.89Å; L320-Y348 HydrophobicContact CB-CE1 4.42Å; L320-Y348 CarbonylContact O-C 3.57Å; L320-Y348 WeakPolarHBondContact O-CA 3.38Å; L320-V349 PolarHBondContact O-N 3.45Å
321	T	91.8	Very high	91.5	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.3	167.6	62.9	0	0	0	0	109.4	I280 H281 L282 Y350	I280-T321 PolarHBondContact O-N 2.83Å; H281-T321 CarbonylContact C-O 3.56Å; H281-T321 WeakPolarHBondContact CA-O 3.39Å; H281-T321 WeakPolarHBondContact CA-OG1 3.33Å; H281-T321 PolarHBondContact ND1-OG1 3.19Å; L282-T321 PolarHBondContact N-O 3.45Å; T321-Y350 WeakPolarHBondContact CA-O 3.01Å; T321-Y350 VanDerWaalsContact CB-O 3.32Å; T321-Y350 WeakPolarHBondContact CB-O 3.02Å
322	S	92.8	Very high	91.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164.1	-177.7	-170.8	0	0	0	0	112.3	L282 A284 Y350 C351 Y352	L282-S322 WeakPolarHBondContact O-CB 3.39Å; L282-S322 PolarHBondContact O-OG 3.47Å; A284-S322 PolarHBondContact N-OG 3.19Å; S322-Y350 PolarHBondContact N-O 3.27Å; S322-Y350 VanDerWaalsContact N-O 3.09Å; S322-C351 CarbonylContact O-C 3.47Å; S322-C351 WeakPolarHBondContact O-CA 3.38Å; S322-Y352 PolarHBondContact O-N 3.31Å
323	D	91.5	Very high	90.9	Very high	32 Å²	32	27.6 Å²	27.6	17%	0.171	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.8	174.3	-74.7	-7.3	0	0	0	109	H281 P283 Q285 Y352 F354	H281-D323 IonicContact CE1-OD1 3.96Å; H281-D323 PolarHBondContact CE1-OD1 2.98Å; H281-D323 IonicContact NE2-OD1 3.24Å; H281-D323 PolarHBondContact NE2-OD1 3.01Å; H281-D323 IonicContact NE2-OD2 3.26Å; P283-D323 HydrophobicContact CB-CB 4.15Å; Q285-D323 VanDerWaalsContact CA-O 3.28Å; Q285-D323 WeakPolarHBondContact CA-O 3.18Å; Q285-D323 PolarHBondContact N-O 2.62Å; D323-Y352 CarbonylContact C-O 3.54Å; D323-Y352 WeakPolarHBondContact CA-O 3.29Å; D323-Y352 VanDerWaalsContact OD1-CB 3.29Å; D323-Y352 WeakPolarHBondContact OD1-CB 3.48Å; D323-Y352 VanDerWaalsContact OD1-CD2 3.28Å; D323-Y352 WeakPolarHBondContact OD1-CD2 3.26Å; D323-F354 HydrophobicContact CB-CE2 4.29Å
324	F	91.2	Very high	90.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.9	175.5	-68.7	-84.9	0	0	0	111.1	A284 T339 L342 I343 Y348 C351 Y352 T353 F354	A284-F324 HydrophobicContact CB-CE1 3.78Å; A284-F324 HydrophobicContact CB-CZ 3.93Å; F324-T339 HydrophobicContact CD1-CG2 3.47Å; F324-T339 VanDerWaalsContact CD1-CG2 3.47Å; F324-T339 HydrophobicContact CE1-CG2 3.84Å; F324-T339 HydrophobicContact CG-CG2 4.38Å; F324-L342 HydrophobicContact CE1-CD2 4.26Å; F324-I343 HydrophobicContact CD1-CD1 4.3Å; F324-I343 HydrophobicContact CD1-CG1 4.48Å; F324-I343 HydrophobicContact CD2-CD1 4.03Å; F324-I343 HydrophobicContact CD2-CG1 4.24Å; F324-I343 HydrophobicContact CE1-CD1 4.19Å; F324-I343 HydrophobicContact CE1-CG1 3.89Å; F324-I343 HydrophobicContact CE2-CD1 3.92Å; F324-I343 HydrophobicContact CE2-CG1 3.61Å; F324-I343 HydrophobicContact CG-CD1 4.21Å; F324-I343 HydrophobicContact CZ-CD1 4.01Å; F324-I343 HydrophobicContact CZ-CG1 3.41Å; F324-I343 VanDerWaalsContact CZ-CG1 3.41Å; F324-Y348 HydrophobicContact CE2-CD2 4.29Å; F324-Y348 AromaticContact CE2-CE2 3.95Å; F324-Y348 HydrophobicContact CE2-CE2 3.95Å; F324-Y348 HydrophobicContact CZ-CD2 4.44Å; F324-Y348 AromaticContact CZ-CE2 3.68Å; F324-Y348 HydrophobicContact CZ-CE2 3.68Å; F324-C351 HydrophobicContact CD2-CB 3.95Å; F324-C351 HydrophobicContact CE2-CB 4.11Å; F324-Y352 PolarHBondContact N-O 3.4Å; F324-T353 HydrophobicContact CB-CG2 4.39Å; F324-T353 WeakPolarHBondContact O-CA 3.36Å; F324-F354 PolarHBondContact O-N 3.1Å
325	I	88.5	Confident	90.6	Very high	13 Å²	13	28 Å²	28	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.3	172.4	-67.5	170.6	0	0	0	107.7	Y158 Q285 M295 F354 Y356	Y158-I325 HydrophobicContact CD1-CD1 4.43Å; Y158-I325 HydrophobicContact CD2-CD1 3.43Å; Y158-I325 VanDerWaalsContact CD2-CD1 3.43Å; Y158-I325 HydrophobicContact CE1-CD1 4.49Å; Y158-I325 HydrophobicContact CE2-CD1 3.5Å; Y158-I325 HydrophobicContact CG-CD1 3.93Å; Q285-I325 PolarHBondContact O-N 3.5Å; Q285-I325 VanDerWaalsContact OE1-CG1 3.27Å; M295-I325 HydrophobicContact CE-CB 4.01Å; M295-I325 HydrophobicContact CE-CG2 4.15Å; I325-F354 WeakPolarHBondContact CA-O 3.44Å; I325-Y356 HydrophobicContact CG2-CD2 4.18Å; I325-Y356 HydrophobicContact CG2-CG 4.32Å
326	S	87	Confident	90.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149.9	173.9	-52.5	0	0	0	0	111.1	F354 Y356 N373	S326-F354 PolarHBondContact N-O 3.37Å; S326-Y356 PolarHBondContact O-N 2.92Å; S326-N373 WeakPolarHBondContact CB-O 3.34Å
327	G	85	Confident	90.3	Very high	4 Å²	4	26.5 Å²	26.5	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	74.4	27.3	-172.5	0	0	0	0	0	112.7	E331 Y356 C370 M371	G327-E331 VanDerWaalsContact CA-OE2 3.26Å; G327-E331 WeakPolarHBondContact CA-OE2 3.29Å; G327-E331 PolarHBondContact N-OE2 3.13Å; G327-Y356 WeakPolarHBondContact O-CB 3.47Å; G327-Y356 WeakPolarHBondContact O-CD1 3.24Å; G327-C370 VanDerWaalsContact O-CB 3.28Å; G327-C370 WeakPolarHBondContact O-CB 3.33Å; G327-M371 VanDerWaalsContact CA-O 3.24Å; G327-M371 WeakPolarHBondContact CA-O 3.48Å
328	F	89.2	Confident	90.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.			trans	-61.3	146.2	172.6	-171.3	-103.2	0	0	0	109.1	Y158 V291 R294 M295 G330 E331 Y356	Y158-F328 HydrophobicContact CD1-CE2 4.49Å; V291-F328 HydrophobicContact CG1-CB 4.29Å; V291-F328 HydrophobicContact CG1-CD1 4.02Å; V291-F328 HydrophobicContact CG1-CG 4.38Å; R294-F328 HydrophobicContact CB-CE1 3.77Å; M295-F328 HydrophobicContact CE-CB 3.64Å; M295-F328 HydrophobicContact CE-CD1 4.18Å; M295-F328 HydrophobicContact CE-CD2 3.7Å; M295-F328 HydrophobicContact CE-CE2 4.44Å; M295-F328 HydrophobicContact CE-CG 3.55Å; M295-F328 HydrophobicContact CG-CD1 4.16Å; M295-F328 HydrophobicContact CG-CD2 4.15Å; M295-F328 HydrophobicContact CG-CE1 3.95Å; M295-F328 HydrophobicContact CG-CE2 3.98Å; M295-F328 HydrophobicContact CG-CG 4.25Å; M295-F328 HydrophobicContact CG-CZ 3.86Å; F328-G330 PolarHBondContact O-N 3.46Å; F328-E331 HydrophobicContact CB-CB 4.45Å; F328-E331 PolarHBondContact N-OE2 3.42Å; F328-E331 WeakPolarHBondContact O-CB 3.43Å; F328-E331 PolarHBondContact O-N 2.92Å; F328-Y356 HydrophobicContact CD2-CD1 4.46Å; F328-Y356 AromaticContact CD2-CD2 3.69Å; F328-Y356 HydrophobicContact CD2-CD2 3.69Å; F328-Y356 HydrophobicContact CD2-CE1 4.49Å; F328-Y356 AromaticContact CD2-CE2 3.74Å; F328-Y356 HydrophobicContact CD2-CE2 3.74Å; F328-Y356 HydrophobicContact CD2-CG 4.07Å; F328-Y356 HydrophobicContact CE2-CD2 4.21Å; F328-Y356 AromaticContact CE2-CE2 3.79Å; F328-Y356 HydrophobicContact CE2-CE2 3.79Å
329	C	85.5	Confident	90.6	Very high	1 Å²	1	25 Å²	25	1%	0.007	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	129.4	-175.1	-68.6	0	0	0	0	112.1	E331 Y356 V366 P367	C329-E331 PolarHBondContact O-N 3.2Å; C329-Y356 WeakPolarHBondContact SG-CE1 3.43Å; C329-V366 HydrophobicContact CB-CB 4.27Å; C329-V366 HydrophobicContact CB-CG1 3.02Å; C329-V366 WeakPolarHBondContact SG-CG1 3.48Å; C329-P367 VanDerWaalsContact CB-O 3.23Å; C329-P367 WeakPolarHBondContact CB-O 3.36Å; C329-P367 PolarHBondContact SG-O 3.01Å
330	G	86.7	Confident	90.5	Very high	31 Å²	31	25.5 Å²	25.5	32%	0.32	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.9	-176.9	0	0	0	0	0	114.9	R294 F328 T332	R294-G330 PolarHBondContact NH1-O 2.88Å; R294-G330 PolarHBondContact NH2-O 3.35Å; R294-G330 VanDerWaalsContact NH2-O 3.09Å; F328-G330 PolarHBondContact O-N 3.46Å; G330-T332 PolarHBondContact O-N 3.19Å
331	E	89.5	Confident	90.5	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.047	16%	0.159	C	C	.	.			trans	-63.2	123	166	-176	-176.6	-172.1	0	0	108.9	V291 G327 F328 C329 D335 H336 M371	V291-E331 HydrophobicContact CG2-CB 4.3Å; V291-E331 HydrophobicContact CG2-CG 4.21Å; G327-E331 VanDerWaalsContact CA-OE2 3.26Å; G327-E331 WeakPolarHBondContact CA-OE2 3.29Å; G327-E331 PolarHBondContact N-OE2 3.13Å; F328-E331 HydrophobicContact CB-CB 4.45Å; F328-E331 PolarHBondContact N-OE2 3.42Å; F328-E331 WeakPolarHBondContact O-CB 3.43Å; F328-E331 PolarHBondContact O-N 2.92Å; C329-E331 PolarHBondContact O-N 3.2Å; E331-D335 HydrophobicContact CG-CB 3.84Å; E331-H336 IonicContact OE1-ND1 3.71Å; E331-H336 PolarHBondContact OE1-ND1 3.2Å; E331-M371 WeakPolarHBondContact O-CE 3.3Å
332	T	91	Very high	90.7	Very high	58 Å²	58	31.3 Å²	31.3	36%	0.356	16%	0.157	S	C	.	.			trans	-89.8	174.9	174.5	78.8	0	0	0	0	111.4	G330 E334 D335 H336	G330-T332 PolarHBondContact O-N 3.19Å; T332-E334 VanDerWaalsContact C-N 3.26Å; T332-E334 WeakPolarHBondContact CB-OE2 3.33Å; T332-E334 PolarHBondContact O-N 3.3Å; T332-E334 PolarHBondContact OG1-N 3.25Å; T332-E334 PolarHBondContact OG1-OE2 3.2Å; T332-D335 PolarHBondContact N-OD2 3.46Å; T332-D335 PolarHBondContact O-N 3.27Å; T332-D335 PolarHBondContact OG1-N 2.99Å; T332-H336 PolarHBondContact O-N 2.84Å; T332-H336 VanDerWaalsContact O-N 3.13Å
333	E	90	Very high	90.6	Very high	67 Å²	67	31.8 Å²	31.8	31%	0.313	16%	0.16	S	C	.	.	H	α-helix	trans	-69.1	-33.5	177	179	54.9	-155	0	0	110.3	H336 Q337 M371 N373	E333-H336 WeakPolarHBondContact O-CB 3.36Å; E333-H336 PolarHBondContact O-N 3.07Å; E333-Q337 WeakPolarHBondContact O-CG 3.45Å; E333-Q337 PolarHBondContact O-N 2.88Å; E333-Q337 PolarHBondContact OE1-NE2 2.79Å; E333-M371 HydrophobicContact CB-CE 4.34Å; E333-N373 PolarHBondContact OE2-ND2 3.36Å
334	E	93.3	Very high	90.5	Very high	122 Å²	122	38 Å²	38	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-62.7	-44.9	174.7	-58.5	69.7	-149.7	0	0	111.1	T332 H336 Q337 E338	T332-E334 VanDerWaalsContact C-N 3.26Å; T332-E334 WeakPolarHBondContact CB-OE2 3.33Å; T332-E334 PolarHBondContact O-N 3.3Å; T332-E334 PolarHBondContact OG1-N 3.25Å; T332-E334 PolarHBondContact OG1-OE2 3.2Å; E334-H336 PolarHBondContact O-N 3.1Å; E334-Q337 PolarHBondContact O-N 3.32Å; E334-E338 WeakPolarHBondContact O-CG 3.38Å; E334-E338 PolarHBondContact O-N 2.87Å
335	D	93.9	Very high	90.6	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-37.7	174	-69.5	-36.1	0	0	0	111.7	S288 V291 R294 E331 T332 E338 T339	S288-D335 WeakPolarHBondContact CB-OD1 3.3Å; S288-D335 PolarHBondContact OG-OD1 3.46Å; V291-D335 HydrophobicContact CG2-CB 3.77Å; R294-D335 IonicContact NH2-OD2 3.08Å; R294-D335 PolarHBondContact NH2-OD2 3.19Å; E331-D335 HydrophobicContact CG-CB 3.84Å; T332-D335 PolarHBondContact N-OD2 3.46Å; T332-D335 PolarHBondContact O-N 3.27Å; T332-D335 PolarHBondContact OG1-N 2.99Å; D335-E338 WeakPolarHBondContact O-CB 3.32Å; D335-E338 PolarHBondContact O-N 2.89Å; D335-T339 PolarHBondContact O-N 2.86Å; D335-T339 VanDerWaalsContact O-N 3.1Å; D335-T339 PolarHBondContact O-OG1 3.34Å; D335-T339 VanDerWaalsContact O-OG1 3.08Å
336	H	90.3	Very high	90.8	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.06	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-43.4	176.8	-167.1	72.3	0	0	0	111.7	E331 T332 E333 E334 E338 T339 L340 V375	E331-H336 IonicContact OE1-ND1 3.71Å; E331-H336 PolarHBondContact OE1-ND1 3.2Å; T332-H336 PolarHBondContact O-N 2.84Å; T332-H336 VanDerWaalsContact O-N 3.13Å; E333-H336 WeakPolarHBondContact O-CB 3.36Å; E333-H336 PolarHBondContact O-N 3.07Å; E334-H336 PolarHBondContact O-N 3.1Å; H336-E338 VanDerWaalsContact C-N 3.31Å; H336-E338 PolarHBondContact O-N 3.43Å; H336-T339 WeakPolarHBondContact O-CA 3.27Å; H336-T339 WeakPolarHBondContact O-CB 3.46Å; H336-T339 PolarHBondContact O-N 3.29Å; H336-T339 VanDerWaalsContact O-N 3.12Å; H336-L340 PolarHBondContact O-N 3.06Å; H336-V375 WeakPolarHBondContact CE1-CG2 3.45Å
337	Q	91.6	Very high	91	Very high	65 Å²	65	47 Å²	47	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-36.1	175.3	-68.2	-56.7	-37.7	0	0	111.9	E333 E334 T339 L340 R341	E333-Q337 WeakPolarHBondContact O-CG 3.45Å; E333-Q337 PolarHBondContact O-N 2.88Å; E333-Q337 PolarHBondContact OE1-NE2 2.79Å; E334-Q337 PolarHBondContact O-N 3.32Å; Q337-T339 VanDerWaalsContact C-N 3.33Å; Q337-T339 PolarHBondContact O-N 3.31Å; Q337-L340 PolarHBondContact O-N 3.44Å; Q337-R341 WeakPolarHBondContact O-CG 3.35Å; Q337-R341 PolarHBondContact O-N 2.93Å
338	E	95.2	Very high	91.1	Very high	61 Å²	61	46.8 Å²	46.8	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-59	-43.1	170.3	-78.3	175.9	-164.7	0	0	112.2	G287 S288 E334 D335 H336 L340 R341 L342	G287-E338 WeakPolarHBondContact O-CB 3.45Å; S288-E338 VanDerWaalsContact CA-OE2 3.23Å; S288-E338 WeakPolarHBondContact CA-OE2 3.37Å; S288-E338 WeakPolarHBondContact CB-OE2 3.37Å; E334-E338 WeakPolarHBondContact O-CG 3.38Å; E334-E338 PolarHBondContact O-N 2.87Å; D335-E338 WeakPolarHBondContact O-CB 3.32Å; D335-E338 PolarHBondContact O-N 2.89Å; H336-E338 VanDerWaalsContact C-N 3.31Å; H336-E338 PolarHBondContact O-N 3.43Å; E338-L340 VanDerWaalsContact C-N 3.35Å; E338-L340 PolarHBondContact O-N 3.41Å; E338-R341 WeakPolarHBondContact O-CB 3.5Å; E338-R341 PolarHBondContact O-N 3.06Å; E338-R341 IonicContact OE1-NH2 3.56Å; E338-L342 PolarHBondContact O-N 3.28Å
339	T	93.3	Very high	90.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42.7	174	-57.7	0	0	0	0	112	S286 G287 F324 D335 H336 Q337 L342 I343	S286-T339 PolarHBondContact OG-OG1 2.95Å; G287-T339 PolarHBondContact N-OG1 3.34Å; F324-T339 HydrophobicContact CD1-CG2 3.47Å; F324-T339 VanDerWaalsContact CD1-CG2 3.47Å; F324-T339 HydrophobicContact CE1-CG2 3.84Å; F324-T339 HydrophobicContact CG-CG2 4.38Å; D335-T339 PolarHBondContact O-N 2.86Å; D335-T339 VanDerWaalsContact O-N 3.1Å; D335-T339 PolarHBondContact O-OG1 3.34Å; D335-T339 VanDerWaalsContact O-OG1 3.08Å; H336-T339 WeakPolarHBondContact O-CA 3.27Å; H336-T339 WeakPolarHBondContact O-CB 3.46Å; H336-T339 PolarHBondContact O-N 3.29Å; H336-T339 VanDerWaalsContact O-N 3.12Å; Q337-T339 VanDerWaalsContact C-N 3.33Å; Q337-T339 PolarHBondContact O-N 3.31Å; T339-L342 PolarHBondContact O-N 3.1Å; T339-I343 HydrophobicContact CG2-CD1 4.38Å; T339-I343 WeakPolarHBondContact O-CG1 3.46Å; T339-I343 PolarHBondContact O-N 3.25Å; T339-I343 VanDerWaalsContact O-N 3.1Å
340	L	90.7	Very high	90.8	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-36.2	175.2	-65.3	179.1	0	0	0	112.5	H336 Q337 E338 I343 R344 V375	H336-L340 PolarHBondContact O-N 3.06Å; Q337-L340 PolarHBondContact O-N 3.44Å; E338-L340 VanDerWaalsContact C-N 3.35Å; E338-L340 PolarHBondContact O-N 3.41Å; L340-I343 PolarHBondContact O-N 2.64Å; L340-R344 WeakPolarHBondContact O-CG 3.42Å; L340-R344 PolarHBondContact O-N 2.81Å; L340-R344 VanDerWaalsContact O-N 3.11Å; L340-V375 HydrophobicContact CD2-CG1 4.15Å; L340-V375 HydrophobicContact CD2-CG2 3.91Å
341	R	93.3	Very high	90.7	Very high	130 Å²	130	49 Å²	49	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-49	172.8	-74.2	-167.3	-68.4	-103.7	14.1	110.7	Q337 E338 I343 R344 T345	Q337-R341 WeakPolarHBondContact O-CG 3.35Å; Q337-R341 PolarHBondContact O-N 2.93Å; E338-R341 WeakPolarHBondContact O-CB 3.5Å; E338-R341 PolarHBondContact O-N 3.06Å; E338-R341 IonicContact OE1-NH2 3.56Å; R341-I343 VanDerWaalsContact C-N 3.32Å; R341-I343 PolarHBondContact O-N 2.85Å; R341-R344 WeakPolarHBondContact O-CB 3.27Å; R341-R344 PolarHBondContact O-N 3.37Å; R341-R344 VanDerWaalsContact O-N 3.09Å; R341-T345 PolarHBondContact O-N 2.96Å; R341-T345 PolarHBondContact O-OG1 3.29Å; R341-T345 VanDerWaalsContact O-OG1 3.06Å
342	L	94.8	Very high	90.4	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-56.6	-44.4	177.1	178.6	63.8	0	0	0	112.2	A284 V301 Y304 L305 F324 E338 T339 R344 T345 V346	A284-L342 HydrophobicContact CB-CD2 4.01Å; V301-L342 HydrophobicContact CG1-CD1 4.23Å; Y304-L342 HydrophobicContact CD1-CD1 4.24Å; Y304-L342 HydrophobicContact CE1-CD1 4.48Å; L305-L342 HydrophobicContact CD2-CD1 3.67Å; L305-L342 HydrophobicContact CG-CD1 4.1Å; F324-L342 HydrophobicContact CE1-CD2 4.26Å; E338-L342 PolarHBondContact O-N 3.28Å; T339-L342 PolarHBondContact O-N 3.1Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.29Å; L342-T345 PolarHBondContact O-N 3.41Å; L342-V346 HydrophobicContact CD1-CG2 3.7Å; L342-V346 HydrophobicContact CG-CG2 4.37Å; L342-V346 WeakPolarHBondContact O-CG2 3.26Å; L342-V346 PolarHBondContact O-N 2.7Å
343	I	90.9	Very high	90.1	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-42.4	177.4	-69.8	168.2	0	0	0	111.5	F324 T339 L340 R341 Q347 Y348 V375 C380	F324-I343 HydrophobicContact CD1-CD1 4.3Å; F324-I343 HydrophobicContact CD1-CG1 4.48Å; F324-I343 HydrophobicContact CD2-CD1 4.03Å; F324-I343 HydrophobicContact CD2-CG1 4.24Å; F324-I343 HydrophobicContact CE1-CD1 4.19Å; F324-I343 HydrophobicContact CE1-CG1 3.89Å; F324-I343 HydrophobicContact CE2-CD1 3.92Å; F324-I343 HydrophobicContact CE2-CG1 3.61Å; F324-I343 HydrophobicContact CG-CD1 4.21Å; F324-I343 HydrophobicContact CZ-CD1 4.01Å; F324-I343 HydrophobicContact CZ-CG1 3.41Å; F324-I343 VanDerWaalsContact CZ-CG1 3.41Å; T339-I343 HydrophobicContact CG2-CD1 4.38Å; T339-I343 WeakPolarHBondContact O-CG1 3.46Å; T339-I343 PolarHBondContact O-N 3.25Å; T339-I343 VanDerWaalsContact O-N 3.1Å; L340-I343 PolarHBondContact O-N 2.64Å; R341-I343 VanDerWaalsContact C-N 3.32Å; R341-I343 PolarHBondContact O-N 2.85Å; I343-Q347 PolarHBondContact O-N 2.87Å; I343-Y348 HydrophobicContact CG1-CE2 4.42Å; I343-V375 HydrophobicContact CD1-CG1 4.41Å; I343-C380 WeakPolarHBondContact CG2-SG 3.37Å
344	R	89	Confident	89.7	Confident	162 Å²	162	47.4 Å²	47.4	61%	0.611	22%	0.215	S	C	*	.	H	α-helix	trans	-67.4	-42.1	177.5	-68.7	171.2	-167.8	152.9	6	111.8	L340 R341 L342 Q347	L340-R344 WeakPolarHBondContact O-CG 3.42Å; L340-R344 PolarHBondContact O-N 2.81Å; L340-R344 VanDerWaalsContact O-N 3.11Å; R341-R344 WeakPolarHBondContact O-CB 3.27Å; R341-R344 PolarHBondContact O-N 3.37Å; R341-R344 VanDerWaalsContact O-N 3.09Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.29Å; R344-Q347 WeakPolarHBondContact O-CG 3.4Å
345	T	93.3	Very high	89.1	Confident	87 Å²	87	46.8 Å²	46.8	53%	0.534	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-46.9	179.7	-57.2	0	0	0	0	111.8	L305 R341 L342	L305-T345 HydrophobicContact CD2-CG2 4.03Å; R341-T345 PolarHBondContact O-N 2.96Å; R341-T345 PolarHBondContact O-OG1 3.29Å; R341-T345 VanDerWaalsContact O-OG1 3.06Å; L342-T345 PolarHBondContact O-N 3.41Å
346	V	93.4	Very high	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-78.8	-25	-176.6	179	0	0	0	0	112	Y304 L305 V308 R312 L320 L342 Y348	Y304-V346 HydrophobicContact CE1-CG2 4.39Å; L305-V346 HydrophobicContact CD2-CG2 3.68Å; V308-V346 HydrophobicContact CG1-CG1 3.99Å; V308-V346 HydrophobicContact CG1-CG2 4.39Å; V308-V346 HydrophobicContact CG2-CG1 4.18Å; V308-V346 HydrophobicContact CG2-CG2 4.27Å; R312-V346 PolarHBondContact NH2-O 2.85Å; L320-V346 HydrophobicContact CD1-CG1 3.99Å; L342-V346 HydrophobicContact CD1-CG2 3.7Å; L342-V346 HydrophobicContact CG-CG2 4.37Å; L342-V346 WeakPolarHBondContact O-CG2 3.26Å; L342-V346 PolarHBondContact O-N 2.7Å; V346-Y348 HydrophobicContact CB-CD2 4.1Å; V346-Y348 HydrophobicContact CB-CE1 4.11Å; V346-Y348 HydrophobicContact CB-CE2 3.57Å; V346-Y348 HydrophobicContact CG1-CD1 3.72Å; V346-Y348 HydrophobicContact CG1-CD2 4.1Å; V346-Y348 HydrophobicContact CG1-CE1 3.31Å; V346-Y348 HydrophobicContact CG1-CE2 3.74Å; V346-Y348 HydrophobicContact CG1-CG 4.1Å; V346-Y348 HydrophobicContact CG2-CE2 4.26Å; V346-Y348 PolarHBondContact O-N 2.95Å
347	Q	90.1	Very high	87.9	Confident	116 Å²	116	48.9 Å²	48.9	54%	0.542	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	56.1	179.2	-55.7	-174.4	-61.8	0	0	112.8	I343 R344 S381	I343-Q347 PolarHBondContact O-N 2.87Å; R344-Q347 WeakPolarHBondContact O-CG 3.4Å; Q347-S381 PolarHBondContact O-OG 2.8Å
348	Y	88.7	Confident	87	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.23	C	C	.	.			trans	-59.5	146.2	176	-56.2	-83.7	0	0	0	111.5	Y304 L320 F324 I343 V346 Y350 C351 C380 S381	Y304-Y348 WeakPolarHBondContact CE1-OH 3.5Å; Y304-Y348 PolarHBondContact OH-OH 2.91Å; L320-Y348 HydrophobicContact CB-CD1 3.89Å; L320-Y348 HydrophobicContact CB-CE1 4.42Å; L320-Y348 CarbonylContact O-C 3.57Å; L320-Y348 WeakPolarHBondContact O-CA 3.38Å; F324-Y348 HydrophobicContact CE2-CD2 4.29Å; F324-Y348 AromaticContact CE2-CE2 3.95Å; F324-Y348 HydrophobicContact CE2-CE2 3.95Å; F324-Y348 HydrophobicContact CZ-CD2 4.44Å; F324-Y348 AromaticContact CZ-CE2 3.68Å; F324-Y348 HydrophobicContact CZ-CE2 3.68Å; I343-Y348 HydrophobicContact CG1-CE2 4.42Å; V346-Y348 HydrophobicContact CB-CD2 4.1Å; V346-Y348 HydrophobicContact CB-CE1 4.11Å; V346-Y348 HydrophobicContact CB-CE2 3.57Å; V346-Y348 HydrophobicContact CG1-CD1 3.72Å; V346-Y348 HydrophobicContact CG1-CD2 4.1Å; V346-Y348 HydrophobicContact CG1-CE1 3.31Å; V346-Y348 HydrophobicContact CG1-CE2 3.74Å; V346-Y348 HydrophobicContact CG1-CG 4.1Å; V346-Y348 HydrophobicContact CG2-CE2 4.26Å; V346-Y348 PolarHBondContact O-N 2.95Å; Y348-Y350 VanDerWaalsContact C-N 3.26Å; Y348-Y350 PolarHBondContact O-N 2.87Å; Y348-C351 WeakPolarHBondContact CD2-SG 3.47Å; Y348-C380 VanDerWaalsContact O-CB 3.27Å; Y348-C380 WeakPolarHBondContact O-CB 3.27Å; Y348-C380 PolarHBondContact O-N 3.39Å; Y348-S381 PolarHBondContact O-N 3.09Å
349	V	84	Confident	85.7	Confident	21 Å²	21	49.2 Å²	49.2	13%	0.127	23%	0.226	C	C	.	.	S	Bend	trans	-65.5	-37.4	170	179	0	0	0	0	110	T319 L320 Y379	T319-V349 HydrophobicContact CG2-CG2 3.97Å; L320-V349 PolarHBondContact O-N 3.45Å; V349-Y379 WeakPolarHBondContact O-CD1 3.44Å
350	Y	83.1	Confident	84.1	Confident	55 Å²	55	59.1 Å²	59.1	22%	0.216	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	136.2	177.1	-168.4	-96	0	0	0	112.7	T321 S322 Y348 Y352 Y379	T321-Y350 WeakPolarHBondContact CA-O 3.01Å; T321-Y350 VanDerWaalsContact CB-O 3.32Å; T321-Y350 WeakPolarHBondContact CB-O 3.02Å; S322-Y350 PolarHBondContact N-O 3.27Å; S322-Y350 VanDerWaalsContact N-O 3.09Å; Y348-Y350 VanDerWaalsContact C-N 3.26Å; Y348-Y350 PolarHBondContact O-N 2.87Å; Y350-Y352 HydrophobicContact CD1-CD1 4.15Å; Y350-Y352 AromaticContact CD1-CD2 3.88Å; Y350-Y352 HydrophobicContact CD1-CD2 3.88Å; Y350-Y352 AromaticContact CD1-CE1 3.99Å; Y350-Y352 HydrophobicContact CD1-CE1 3.99Å; Y350-Y352 AromaticContact CD1-CE2 3.73Å; Y350-Y352 HydrophobicContact CD1-CE2 3.73Å; Y350-Y352 HydrophobicContact CD1-CG 4.07Å; Y350-Y352 AromaticContact CD1-CZ 3.77Å; Y350-Y352 AromaticContact CE1-CD1 3.48Å; Y350-Y352 HydrophobicContact CE1-CD1 3.48Å; Y350-Y352 VanDerWaalsContact CE1-CD1 3.48Å; Y350-Y352 HydrophobicContact CE1-CD2 4.04Å; Y350-Y352 AromaticContact CE1-CE1 3.51Å; Y350-Y352 HydrophobicContact CE1-CE1 3.51Å; Y350-Y352 HydrophobicContact CE1-CE2 4.07Å; Y350-Y352 AromaticContact CE1-CG 3.73Å; Y350-Y352 HydrophobicContact CE1-CG 3.73Å; Y350-Y352 AromaticContact CE1-CZ 3.8Å; Y350-Y379 AromaticContact CD2-CD1 3.92Å; Y350-Y379 HydrophobicContact CD2-CD1 3.92Å; Y350-Y379 HydrophobicContact CD2-CD2 4.06Å; Y350-Y379 AromaticContact CD2-CE1 3.62Å; Y350-Y379 HydrophobicContact CD2-CE1 3.62Å; Y350-Y379 AromaticContact CD2-CE2 3.76Å; Y350-Y379 HydrophobicContact CD2-CE2 3.76Å; Y350-Y379 HydrophobicContact CD2-CG 4.14Å; Y350-Y379 AromaticContact CD2-CZ 3.55Å; Y350-Y379 HydrophobicContact CE2-CD2 4.18Å; Y350-Y379 HydrophobicContact CE2-CE1 4.34Å; Y350-Y379 AromaticContact CE2-CE2 3.69Å; Y350-Y379 HydrophobicContact CE2-CE2 3.69Å; Y350-Y379 AromaticContact CE2-CZ 3.81Å; Y350-Y379 HydrophobicContact CG-CE1 4.49Å
351	C	84.8	Confident	82.3	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119	172.1	-63.4	0	0	0	0	110.3	S322 F324 Y348 T353	S322-C351 CarbonylContact O-C 3.47Å; S322-C351 WeakPolarHBondContact O-CA 3.38Å; F324-C351 HydrophobicContact CD2-CB 3.95Å; F324-C351 HydrophobicContact CE2-CB 4.11Å; Y348-C351 WeakPolarHBondContact CD2-SG 3.47Å; C351-T353 HydrophobicContact CB-CG2 4.41Å
352	Y	83.9	Confident	80.2	Confident	45 Å²	45	54.8 Å²	54.8	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.9	165.3	-55.5	-94.1	0	0	0	108.5	P17 H281 S322 D323 F324 Y350 F354	P17-Y352 HydrophobicContact CB-CE1 3.9Å; P17-Y352 HydrophobicContact CG-CD1 3.99Å; P17-Y352 HydrophobicContact CG-CE1 3.8Å; H281-Y352 AromaticContact CE1-CD2 3.86Å; S322-Y352 PolarHBondContact O-N 3.31Å; D323-Y352 CarbonylContact C-O 3.54Å; D323-Y352 WeakPolarHBondContact CA-O 3.29Å; D323-Y352 VanDerWaalsContact OD1-CB 3.29Å; D323-Y352 WeakPolarHBondContact OD1-CB 3.48Å; D323-Y352 VanDerWaalsContact OD1-CD2 3.28Å; D323-Y352 WeakPolarHBondContact OD1-CD2 3.26Å; F324-Y352 PolarHBondContact N-O 3.4Å; Y350-Y352 HydrophobicContact CD1-CD1 4.15Å; Y350-Y352 AromaticContact CD1-CD2 3.88Å; Y350-Y352 HydrophobicContact CD1-CD2 3.88Å; Y350-Y352 AromaticContact CD1-CE1 3.99Å; Y350-Y352 HydrophobicContact CD1-CE1 3.99Å; Y350-Y352 AromaticContact CD1-CE2 3.73Å; Y350-Y352 HydrophobicContact CD1-CE2 3.73Å; Y350-Y352 HydrophobicContact CD1-CG 4.07Å; Y350-Y352 AromaticContact CD1-CZ 3.77Å; Y350-Y352 AromaticContact CE1-CD1 3.48Å; Y350-Y352 HydrophobicContact CE1-CD1 3.48Å; Y350-Y352 VanDerWaalsContact CE1-CD1 3.48Å; Y350-Y352 HydrophobicContact CE1-CD2 4.04Å; Y350-Y352 AromaticContact CE1-CE1 3.51Å; Y350-Y352 HydrophobicContact CE1-CE1 3.51Å; Y350-Y352 HydrophobicContact CE1-CE2 4.07Å; Y350-Y352 AromaticContact CE1-CG 3.73Å; Y350-Y352 HydrophobicContact CE1-CG 3.73Å; Y350-Y352 AromaticContact CE1-CZ 3.8Å; Y352-F354 VanDerWaalsContact CB-CZ 3.49Å; Y352-F354 HydrophobicContact CG-CZ 4.32Å
353	T	83.3	Confident	77.9	Confident	12 Å²	12	63.2 Å²	63.2	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.7	-179.6	61.4	0	0	0	0	110	F324 C351 V375 P377	F324-T353 HydrophobicContact CB-CG2 4.39Å; F324-T353 WeakPolarHBondContact O-CA 3.36Å; C351-T353 HydrophobicContact CB-CG2 4.41Å; T353-V375 WeakPolarHBondContact CB-O 3.47Å; T353-V375 HydrophobicContact CG2-CB 3.91Å; T353-V375 HydrophobicContact CG2-CG1 3.87Å; T353-V375 PolarHBondContact OG1-O 2.8Å; T353-P377 WeakPolarHBondContact OG1-CD 3.33Å; T353-P377 WeakPolarHBondContact OG1-CG 3.16Å
354	F	82.4	Confident	75.9	Confident	44 Å²	44	65.1 Å²	65.1	19%	0.193	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.4	-178.3	-52.7	-55.1	0	0	0	110	D323 F324 I325 S326 Y352	D323-F354 HydrophobicContact CB-CE2 4.29Å; F324-F354 PolarHBondContact O-N 3.1Å; I325-F354 WeakPolarHBondContact CA-O 3.44Å; S326-F354 PolarHBondContact N-O 3.37Å; Y352-F354 VanDerWaalsContact CB-CZ 3.49Å; Y352-F354 HydrophobicContact CG-CZ 4.32Å
355	M	81.5	Confident	74.1	Confident	110 Å²	110	65.4 Å²	65.4	54%	0.542	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.4	163.4	-72.6	-178	71	0	0	109.1	S357 F374	M355-S357 PolarHBondContact O-N 2.66Å; M355-F374 HydrophobicContact CG-CD2 3.82Å; M355-F374 HydrophobicContact CG-CE2 4.14Å; M355-F374 HydrophobicContact SD-CD2 4.4Å
356	Y	82.6	Confident	72.3	Confident	30 Å²	30	63 Å²	63	12%	0.118	33%	0.33	C	S	.	.			trans	-57.5	133	170	178.9	-118.6	0	0	0	110.2	I325 S326 G327 F328 C329 M358	I325-Y356 HydrophobicContact CG2-CD2 4.18Å; I325-Y356 HydrophobicContact CG2-CG 4.32Å; S326-Y356 PolarHBondContact O-N 2.92Å; G327-Y356 WeakPolarHBondContact O-CB 3.47Å; G327-Y356 WeakPolarHBondContact O-CD1 3.24Å; F328-Y356 HydrophobicContact CD2-CD1 4.46Å; F328-Y356 AromaticContact CD2-CD2 3.69Å; F328-Y356 HydrophobicContact CD2-CD2 3.69Å; F328-Y356 HydrophobicContact CD2-CE1 4.49Å; F328-Y356 AromaticContact CD2-CE2 3.74Å; F328-Y356 HydrophobicContact CD2-CE2 3.74Å; F328-Y356 HydrophobicContact CD2-CG 4.07Å; F328-Y356 HydrophobicContact CE2-CD2 4.21Å; F328-Y356 AromaticContact CE2-CE2 3.79Å; F328-Y356 HydrophobicContact CE2-CE2 3.79Å; C329-Y356 WeakPolarHBondContact SG-CE1 3.43Å; Y356-M358 HydrophobicContact CD1-CG 4.15Å; Y356-M358 HydrophobicContact CE1-CB 4.24Å; Y356-M358 HydrophobicContact CE1-CG 3.39Å
357	S	76.8	Confident	70.3	Confident	31 Å²	31	67 Å²	67	22%	0.217	36%	0.357	C	S	.	.			trans	-113.5	102.9	177.7	-178.3	0	0	0	0	106.8	M355 R359	M355-S357 PolarHBondContact O-N 2.66Å; S357-R359 PolarHBondContact O-N 2.95Å
358	M	71.5	Confident	68.6	Low	83 Å²	83	70.1 Å²	70.1	41%	0.409	37%	0.368	S	S	.	.			trans	-55.5	137.2	176.2	-91.7	-157.1	-71.8	0	0	111.2	Y356 K368	Y356-M358 HydrophobicContact CD1-CG 4.15Å; Y356-M358 HydrophobicContact CE1-CB 4.24Å; Y356-M358 HydrophobicContact CE1-CG 3.39Å; M358-K368 HydrophobicContact CE-CB 4.22Å; M358-K368 WeakPolarHBondContact CE-O 3.5Å; M358-K368 HydrophobicContact SD-CB 4.22Å; M358-K368 HydrophobicContact SD-CG 4.33Å
359	R	68	Low	67	Low	50 Å²	50	79.1 Å²	79.1	19%	0.189	41%	0.407	C	S	.	.			trans	-145.4	150.2	178.4	-69.8	-179.9	171.2	138.8	5.7	109.8	A58 I59 R60 E64 S357 V361	A58-R359 VanDerWaalsContact O-CZ 3.3Å; A58-R359 PolarHBondContact O-NH2 3.48Å; I59-R359 PolarHBondContact O-NH1 3.23Å; I59-R359 PolarHBondContact O-NH2 3.31Å; R60-R359 VanDerWaalsContact N-NH2 3.13Å; E64-R359 IonicContact OE1-NH2 3.51Å; S357-R359 PolarHBondContact O-N 2.95Å; R359-V361 HydrophobicContact CB-CB 4.43Å; R359-V361 HydrophobicContact CB-CG1 3.94Å; R359-V361 HydrophobicContact CB-CG2 3.86Å; R359-V361 PolarHBondContact O-N 3.09Å
360	Q	59.3	Low	65.8	Low	209 Å²	209	80.1 Å²	80.1	98%	0.977	42%	0.415	S	S	*	.			trans	-76.4	72.9	164.4	-66.3	179.4	-13.2	0	0	108.6
361	V	52.7	Low	64.6	Low	17 Å²	17	80.7 Å²	80.7	10%	0.103	42%	0.42	C	S	.	.			trans	-120.2	123.2	174.8	-71.9	0	0	0	0	109.1	I160 F163 R359	I160-V361 HydrophobicContact CD1-CG1 3.36Å; I160-V361 HydrophobicContact CG1-CG1 4.48Å; F163-V361 HydrophobicContact CD2-CG1 4.5Å; F163-V361 HydrophobicContact CE2-CB 4.39Å; R359-V361 HydrophobicContact CB-CB 4.43Å; R359-V361 HydrophobicContact CB-CG1 3.94Å; R359-V361 HydrophobicContact CB-CG2 3.86Å; R359-V361 PolarHBondContact O-N 3.09Å
362	G	49.6	Very low	63.3	Low	58 Å²	58	89.4 Å²	89.4	60%	0.598	46%	0.458	S	S	*	.	S	Bend	trans	74.9	176.3	173.9	0	0	0	0	0	115.7	S364	G362-S364 VanDerWaalsContact C-N 3.32Å; G362-S364 PolarHBondContact O-N 3.02Å
363	L	46.4	Very low	62	Low	183 Å²	183	90 Å²	90	96%	0.958	46%	0.464	S	S	*	.	S	Bend	trans	-78.9	-4.4	-171.8	-75.2	157.2	0	0	0	114.7	D365	L363-D365 PolarHBondContact O-N 3.41Å
364	S	48.7	Very low	60.8	Low	52 Å²	52	94.3 Å²	94.3	36%	0.364	48%	0.482	S	S	.	.			trans	-82.9	116.9	-172.8	50.2	0	0	0	0	110.8	G362 V366	G362-S364 VanDerWaalsContact C-N 3.32Å; G362-S364 PolarHBondContact O-N 3.02Å; S364-V366 WeakPolarHBondContact O-CG2 3.39Å; S364-V366 PolarHBondContact O-N 3.24Å; S364-V366 VanDerWaalsContact OG-CG2 3.29Å; S364-V366 WeakPolarHBondContact OG-CG2 3.36Å
365	D	51.5	Low	59.6	Low	168 Å²	168	93 Å²	93	90%	0.898	48%	0.478	S	S	*	.			trans	-67.2	67.1	165.8	-79.6	-36.5	0	0	0	110.5	L363 P367	L363-D365 PolarHBondContact O-N 3.41Å; D365-P367 WeakPolarHBondContact O-CD 3.29Å
366	V	55.3	Low	58.5	Low	36 Å²	36	95.6 Å²	95.6	22%	0.218	49%	0.486	C	S	.	.			trans	-74.1	124.1	-179.8	-164.1	0	0	0	0	108.5	C329 S364 K368	C329-V366 HydrophobicContact CB-CB 4.27Å; C329-V366 HydrophobicContact CB-CG1 3.02Å; C329-V366 WeakPolarHBondContact SG-CG1 3.48Å; S364-V366 WeakPolarHBondContact O-CG2 3.39Å; S364-V366 PolarHBondContact O-N 3.24Å; S364-V366 VanDerWaalsContact OG-CG2 3.29Å; S364-V366 WeakPolarHBondContact OG-CG2 3.36Å; V366-K368 PolarHBondContact O-N 2.76Å
367	P	51.7	Low	57.1	Low	85 Å²	85	97.3 Å²	97.3	55%	0.552	50%	0.501	S	S	*	.			trans	-56	132.4	-176.5	-26.2	33.6	0	0	0	112.7	C329 D365 K369	C329-P367 VanDerWaalsContact CB-O 3.23Å; C329-P367 WeakPolarHBondContact CB-O 3.36Å; C329-P367 PolarHBondContact SG-O 3.01Å; D365-P367 WeakPolarHBondContact O-CD 3.29Å; P367-K369 PolarHBondContact O-N 3.5Å
368	K	54.5	Low	55.9	Low	181 Å²	181	104.6 Å²	104.6	79%	0.787	52%	0.524	S	S	*	.	S	Bend	trans	-67.1	-7.9	-172.4	-67.8	177.9	-177.8	171.7	0	115.4	M358 V366 C370	M358-K368 HydrophobicContact CE-CB 4.22Å; M358-K368 WeakPolarHBondContact CE-O 3.5Å; M358-K368 HydrophobicContact SD-CB 4.22Å; M358-K368 HydrophobicContact SD-CG 4.33Å; V366-K368 PolarHBondContact O-N 2.76Å; K368-C370 PolarHBondContact O-N 2.71Å
369	K	55.7	Low	55	Low	188 Å²	188	103.7 Å²	103.7	82%	0.817	52%	0.516	S	S	*	.			trans	-89	106.9	-177.8	-161.5	175.1	180	-178	0	109.9	P367	P367-K369 PolarHBondContact O-N 3.5Å
370	C	58.6	Low	54.2	Low	42 Å²	42	103.8 Å²	103.8	28%	0.284	52%	0.524	S	S	.	.			trans	-102.1	136.7	173.3	-60.4	0	0	0	0	109.4	G327 K368	G327-C370 VanDerWaalsContact O-CB 3.28Å; G327-C370 WeakPolarHBondContact O-CB 3.33Å; K368-C370 PolarHBondContact O-N 2.71Å
371	M	57.9	Low	53.8	Low	68 Å²	68	95.7 Å²	95.7	34%	0.335	49%	0.49	S	S	.	.			trans	-73.7	153.2	168.5	-79.8	-146.4	-81.9	0	0	111.5	G327 E331 E333	G327-M371 VanDerWaalsContact CA-O 3.24Å; G327-M371 WeakPolarHBondContact CA-O 3.48Å; E331-M371 WeakPolarHBondContact O-CE 3.3Å; E333-M371 HydrophobicContact CB-CE 4.34Å
372	K	57.8	Low	53.8	Low	185 Å²	185	98.7 Å²	98.7	80%	0.804	51%	0.505	S	S	*	.			trans	-101.6	30.8	178.4	-66.5	-174.3	-179.2	176.9	0	112.4
373	N	56.5	Low	54	Low	59 Å²	59	98.7 Å²	98.7	32%	0.316	49%	0.491	S	S	.	.			trans	-81.8	128.7	177.6	-64.2	-9.3	0	0	0	108.9	S326 E333	S326-N373 WeakPolarHBondContact CB-O 3.34Å; E333-N373 PolarHBondContact OE2-ND2 3.36Å
374	F	58.5	Low	54.5	Low	101 Å²	101	96.2 Å²	96.2	44%	0.443	48%	0.478	S	S	.	.			trans	-121.2	116.4	-169.7	-175.1	-108.2	0	0	0	111.3	M355 K376	M355-F374 HydrophobicContact CG-CD2 3.82Å; M355-F374 HydrophobicContact CG-CE2 4.14Å; M355-F374 HydrophobicContact SD-CD2 4.4Å; F374-K376 HydrophobicContact CD1-CB 4.48Å; F374-K376 HydrophobicContact CD1-CG 3.78Å; F374-K376 HydrophobicContact CE1-CB 4.21Å; F374-K376 HydrophobicContact CE1-CG 3.7Å; F374-K376 PolarHBondContact O-N 3.02Å
375	V	57.5	Low	54.7	Low	18 Å²	18	99.3 Å²	99.3	11%	0.109	49%	0.49	C	S	.	.			trans	-76.6	110.5	163.2	-169.4	0	0	0	0	107.7	H336 L340 I343 T353	H336-V375 WeakPolarHBondContact CE1-CG2 3.45Å; L340-V375 HydrophobicContact CD2-CG1 4.15Å; L340-V375 HydrophobicContact CD2-CG2 3.91Å; I343-V375 HydrophobicContact CD1-CG1 4.41Å; T353-V375 WeakPolarHBondContact CB-O 3.47Å; T353-V375 HydrophobicContact CG2-CB 3.91Å; T353-V375 HydrophobicContact CG2-CG1 3.87Å; T353-V375 PolarHBondContact OG1-O 2.8Å
376	K	56.9	Low	55	Low	163 Å²	163	95 Å²	95	71%	0.709	47%	0.474	S	S	*	.			trans	-60.9	138.9	168.5	-75.2	-178.9	178.4	176.6	0	109.2	F374 R378	F374-K376 HydrophobicContact CD1-CB 4.48Å; F374-K376 HydrophobicContact CD1-CG 3.78Å; F374-K376 HydrophobicContact CE1-CB 4.21Å; F374-K376 HydrophobicContact CE1-CG 3.7Å; F374-K376 PolarHBondContact O-N 3.02Å; K376-R378 PolarHBondContact O-N 2.99Å
377	P	53.8	Low	55.3	Low	66 Å²	66	94.8 Å²	94.8	43%	0.429	48%	0.475	S	S	.	.			trans	-53.2	126	172.1	-19.8	28.3	0	0	0	109	T353	T353-P377 WeakPolarHBondContact OG1-CD 3.33Å; T353-P377 WeakPolarHBondContact OG1-CG 3.16Å
378	R	51.7	Low	56.1	Low	185 Å²	185	96.2 Å²	96.2	70%	0.698	48%	0.475	S	S	*	.			trans	-131.4	134.4	-174.5	-152.1	171	-174.2	158	0.6	108.8	K376	K376-R378 PolarHBondContact O-N 2.99Å
379	Y	52.9	Low	56.8	Low	63 Å²	63	88.3 Å²	88.3	25%	0.247	44%	0.443	C	S	.	.			trans	-74.9	116.9	158.3	-73.5	-92	0	0	0	106.1	V349 Y350 A446 L447	V349-Y379 WeakPolarHBondContact O-CD1 3.44Å; Y350-Y379 AromaticContact CD2-CD1 3.92Å; Y350-Y379 HydrophobicContact CD2-CD1 3.92Å; Y350-Y379 HydrophobicContact CD2-CD2 4.06Å; Y350-Y379 AromaticContact CD2-CE1 3.62Å; Y350-Y379 HydrophobicContact CD2-CE1 3.62Å; Y350-Y379 AromaticContact CD2-CE2 3.76Å; Y350-Y379 HydrophobicContact CD2-CE2 3.76Å; Y350-Y379 HydrophobicContact CD2-CG 4.14Å; Y350-Y379 AromaticContact CD2-CZ 3.55Å; Y350-Y379 HydrophobicContact CE2-CD2 4.18Å; Y350-Y379 HydrophobicContact CE2-CE1 4.34Å; Y350-Y379 AromaticContact CE2-CE2 3.69Å; Y350-Y379 HydrophobicContact CE2-CE2 3.69Å; Y350-Y379 AromaticContact CE2-CZ 3.81Å; Y350-Y379 HydrophobicContact CG-CE1 4.49Å; Y379-A446 WeakPolarHBondContact CD2-O 3.26Å; Y379-A446 WeakPolarHBondContact CE2-O 3.1Å; Y379-L447 PolarHBondContact OH-O 2.94Å
380	C	50.9	Low	57.8	Low	52 Å²	52	81 Å²	81	35%	0.351	42%	0.421	S	S	.	.	S	Bend	trans	-90.1	-33.2	-179.9	-73.7	0	0	0	0	111.7	I343 Y348	I343-C380 WeakPolarHBondContact CG2-SG 3.37Å; Y348-C380 VanDerWaalsContact O-CB 3.27Å; Y348-C380 WeakPolarHBondContact O-CB 3.27Å; Y348-C380 PolarHBondContact O-N 3.39Å
381	S	51.4	Low	58.9	Low	39 Å²	39	79 Å²	79	27%	0.273	41%	0.407	S	S	.	.	S	Bend	trans	-127.4	110.3	171.7	62.8	0	0	0	0	110	Q347 Y348	Q347-S381 PolarHBondContact O-OG 2.8Å; Y348-S381 PolarHBondContact O-N 3.09Å
382	I	52.5	Low	60.1	Low	80 Å²	80	75.8 Å²	75.8	41%	0.41	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-81.9	140.3	168.2	-83.2	161.1	0	0	0	107.6	N384 V444	I382-N384 PolarHBondContact O-N 3.27Å; I382-V444 HydrophobicContact CB-CG1 3.98Å; I382-V444 HydrophobicContact CD1-CG1 3.68Å; I382-V444 HydrophobicContact CG1-CG1 3.59Å; I382-V444 HydrophobicContact CG2-CB 3.54Å; I382-V444 HydrophobicContact CG2-CG1 3.23Å; I382-V444 HydrophobicContact CG2-CG2 3.38Å
383	L	53.8	Low	61.2	Low	59 Å²	59	67 Å²	67	31%	0.309	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-51.6	133.8	170.1	-74.6	169	0	0	0	109.3	L385 V441 I449 F451	L383-L385 PolarHBondContact O-N 3.37Å; L383-V441 HydrophobicContact CB-CG2 3.98Å; L383-V441 HydrophobicContact CD1-CG2 4.31Å; L383-I449 HydrophobicContact CB-CD1 3.98Å; L383-I449 HydrophobicContact CD1-CD1 3.78Å; L383-I449 HydrophobicContact CG-CD1 4.12Å; L383-F451 HydrophobicContact CD1-CZ 4.09Å
384	N	55.7	Low	62.2	Low	130 Å²	130	64.2 Å²	64.2	70%	0.695	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-56.6	140.1	177.6	-70.8	-23.5	0	0	0	110.3	I382 S386 A387	I382-N384 PolarHBondContact O-N 3.27Å; N384-S386 PolarHBondContact O-N 3.11Å; N384-A387 WeakPolarHBondContact O-CB 3.24Å; N384-A387 PolarHBondContact O-N 3.31Å; N384-A387 VanDerWaalsContact O-N 3.07Å
385	L	54.3	Low	63.3	Low	117 Å²	117	62.4 Å²	62.4	61%	0.613	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	140.8	167.7	-73.3	162.5	0	0	0	108.8	L383 A387 V441 C442	L383-L385 PolarHBondContact O-N 3.37Å; L385-A387 VanDerWaalsContact C-N 3.25Å; L385-A387 PolarHBondContact O-N 3.2Å; L385-V441 HydrophobicContact CD2-CG1 4.38Å; L385-C442 VanDerWaalsContact CD2-O 3.26Å; L385-C442 WeakPolarHBondContact CD2-O 3.41Å
386	S	56.2	Low	64.2	Low	79 Å²	79	64.5 Å²	64.5	55%	0.552	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	1.7	-174.5	-50.6	0	0	0	0	116.8	N384 V441	N384-S386 PolarHBondContact O-N 3.11Å; S386-V441 PolarHBondContact N-O 3.17Å
387	A	62.9	Low	65	Low	30 Å²	30	59.3 Å²	59.3	25%	0.248	32%	0.324	C	S	.	.			trans	-66.3	141.3	171	0	0	0	0	0	111	N384 L385 V441	N384-A387 WeakPolarHBondContact O-CB 3.24Å; N384-A387 PolarHBondContact O-N 3.31Å; N384-A387 VanDerWaalsContact O-N 3.07Å; L385-A387 VanDerWaalsContact C-N 3.25Å; L385-A387 PolarHBondContact O-N 3.2Å; A387-V441 HydrophobicContact CB-CG2 4.2Å; A387-V441 WeakPolarHBondContact O-CG2 3.12Å; A387-V441 PolarHBondContact O-N 2.9Å
388	Q	68.3	Low	65.9	Low	116 Å²	116	66.1 Å²	66.1	54%	0.542	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.8	170	-68.6	-177.8	-10.6	0	0	110.2	L438 V439	Q388-L438 HydrophobicContact CB-CD1 4.11Å; Q388-L438 HydrophobicContact CB-CG 4.43Å; Q388-V439 CarbonylContact C-O 3.57Å; Q388-V439 VanDerWaalsContact CA-O 3.28Å; Q388-V439 WeakPolarHBondContact CA-O 3.35Å
389	A	69.3	Low	66.9	Low	15 Å²	15	68.3 Å²	68.3	12%	0.124	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.4	176.6	0	0	0	0	0	111	V391 T408 V439 F451	A389-V391 PolarHBondContact O-N 3.23Å; A389-T408 HydrophobicContact CB-CG2 3.89Å; A389-V439 PolarHBondContact N-O 2.98Å; A389-V439 VanDerWaalsContact O-CG2 3.24Å; A389-V439 WeakPolarHBondContact O-CG2 3.38Å; A389-V439 PolarHBondContact O-N 2.99Å; A389-F451 HydrophobicContact CB-CE1 4.16Å; A389-F451 HydrophobicContact CB-CZ 4.26Å
390	G	77	Confident	67.7	Low	34 Å²	34	66.6 Å²	66.6	35%	0.351	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.9	167.6	0	0	0	0	0	110.3	T408	G390-T408 WeakPolarHBondContact O-CA 3.25Å
391	V	80.6	Confident	68.8	Low	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.1	-176.4	171	0	0	0	0	110.2	A389 L393 R407 T408 V414 L416 F436 V437 V439	A389-V391 PolarHBondContact O-N 3.23Å; V391-L393 HydrophobicContact CG1-CD2 4.25Å; V391-R407 WeakPolarHBondContact CA-O 3.46Å; V391-T408 HydrophobicContact CG2-CG2 3.86Å; V391-V414 HydrophobicContact CG1-CB 3.94Å; V391-V414 HydrophobicContact CG1-CG1 4.05Å; V391-V414 HydrophobicContact CG1-CG2 4.36Å; V391-V414 HydrophobicContact CG2-CB 3.96Å; V391-V414 HydrophobicContact CG2-CG1 3.94Å; V391-V414 HydrophobicContact CG2-CG2 3.61Å; V391-L416 HydrophobicContact CG1-CD1 4.08Å; V391-F436 CarbonylContact O-C 3.57Å; V391-F436 WeakPolarHBondContact O-CA 3.3Å; V391-V437 HydrophobicContact CB-CG2 4.09Å; V391-V437 HydrophobicContact CG1-CG2 4.41Å; V391-V437 PolarHBondContact N-O 3.24Å; V391-V437 WeakPolarHBondContact O-CG2 3.35Å; V391-V437 PolarHBondContact O-N 3.01Å; V391-V439 HydrophobicContact CB-CG1 4.46Å; V391-V439 HydrophobicContact CB-CG2 4.12Å; V391-V439 HydrophobicContact CG2-CG2 3.37Å
392	F	83.4	Confident	70.2	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.6	173.1	178.2	-124.1	0	0	0	110.2	A142 F143 K189 E190 R251 L394 G406 R407 G434 F436	A142-F392 HydrophobicContact CB-CE2 4.45Å; A142-F392 HydrophobicContact CB-CZ 3.78Å; A142-F392 WeakPolarHBondContact O-CZ 3.27Å; F143-F392 HydrophobicContact CB-CE1 4.17Å; K189-F392 HydrophobicContact CB-CE2 3.44Å; K189-F392 VanDerWaalsContact CB-CE2 3.44Å; K189-F392 HydrophobicContact CB-CZ 3.64Å; K189-F392 HydrophobicContact CG-CE2 4.27Å; E190-F392 HydrophobicContact CB-CD1 3.83Å; E190-F392 HydrophobicContact CB-CE1 3.44Å; E190-F392 VanDerWaalsContact CB-CE1 3.44Å; E190-F392 HydrophobicContact CB-CZ 4.04Å; E190-F392 HydrophobicContact CG-CD1 4.49Å; E190-F392 HydrophobicContact CG-CE1 4.48Å; R251-F392 VanDerWaalsContact NH1-CB 3.33Å; F392-L394 HydrophobicContact CD1-CD2 3.53Å; F392-L394 HydrophobicContact CD1-CG 4.21Å; F392-L394 HydrophobicContact CE1-CD2 3.44Å; F392-L394 VanDerWaalsContact CE1-CD2 3.44Å; F392-L394 HydrophobicContact CE1-CG 4.44Å; F392-L394 PolarHBondContact O-N 3.04Å; F392-G406 CarbonylContact O-C 3.57Å; F392-G406 WeakPolarHBondContact O-CA 3.17Å; F392-R407 PolarHBondContact N-O 2.98Å; F392-R407 PolarHBondContact O-N 3.49Å; F392-G434 WeakPolarHBondContact CE2-O 3.26Å; F392-F436 HydrophobicContact CB-CD1 3.79Å; F392-F436 HydrophobicContact CB-CE1 3.6Å; F392-F436 AromaticContact CD2-CD1 3.83Å; F392-F436 HydrophobicContact CD2-CD1 3.83Å; F392-F436 HydrophobicContact CD2-CD2 4.36Å; F392-F436 AromaticContact CD2-CE1 3.44Å; F392-F436 HydrophobicContact CD2-CE1 3.44Å; F392-F436 VanDerWaalsContact CD2-CE1 3.44Å; F392-F436 HydrophobicContact CD2-CE2 4.04Å; F392-F436 HydrophobicContact CD2-CG 4.27Å; F392-F436 AromaticContact CD2-CZ 3.57Å; F392-F436 HydrophobicContact CD2-CZ 3.57Å; F392-F436 HydrophobicContact CE2-CE1 4.33Å; F392-F436 HydrophobicContact CE2-CE2 4.3Å; F392-F436 HydrophobicContact CE2-CZ 4.02Å; F392-F436 HydrophobicContact CG-CD1 4.2Å; F392-F436 AromaticContact CG-CE1 3.7Å; F392-F436 HydrophobicContact CG-CE1 3.7Å; F392-F436 HydrophobicContact CG-CZ 4.15Å
393	L	80.7	Confident	71.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	117.6	-177.6	-60.9	-178	0	0	0	110.9	V391 W404 L416 I431 H432 G434 D435 V437	V391-L393 HydrophobicContact CG1-CD2 4.25Å; L393-W404 HydrophobicContact CD2-CB 4.11Å; L393-L416 HydrophobicContact CD2-CD1 3.5Å; L393-I431 HydrophobicContact CD1-CB 3.86Å; L393-I431 HydrophobicContact CD1-CD1 3.76Å; L393-I431 HydrophobicContact CD1-CG1 4.19Å; L393-H432 WeakPolarHBondContact CD1-O 3.23Å; L393-G434 PolarHBondContact O-N 2.95Å; L393-D435 HydrophobicContact CD1-CB 4.33Å; L393-D435 PolarHBondContact N-O 3.22Å; L393-V437 HydrophobicContact CD1-CG1 4.16Å; L393-V437 HydrophobicContact CD1-CG2 4.34Å; L393-V437 HydrophobicContact CD2-CG2 4Å; L393-V437 HydrophobicContact CG-CG2 4.09Å
394	L	78.3	Confident	73.1	Confident	2 Å²	2	69 Å²	69	1%	0.01	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-47.2	-171.4	-67.7	168	0	0	0	113.3	F143 F392 M405 R407 V433	F143-L394 HydrophobicContact CB-CD2 4.22Å; F143-L394 HydrophobicContact CD1-CD2 3.5Å; F143-L394 VanDerWaalsContact CD1-CD2 3.5Å; F143-L394 HydrophobicContact CE1-CB 4.44Å; F143-L394 HydrophobicContact CE1-CD2 4.05Å; F143-L394 HydrophobicContact CG-CD2 3.92Å; F392-L394 HydrophobicContact CD1-CD2 3.53Å; F392-L394 HydrophobicContact CD1-CG 4.21Å; F392-L394 HydrophobicContact CE1-CD2 3.44Å; F392-L394 VanDerWaalsContact CE1-CD2 3.44Å; F392-L394 HydrophobicContact CE1-CG 4.44Å; F392-L394 PolarHBondContact O-N 3.04Å; L394-M405 HydrophobicContact CB-CE 4.31Å; L394-M405 WeakPolarHBondContact CB-O 3.35Å; L394-M405 HydrophobicContact CD1-CE 4.43Å; L394-M405 PolarHBondContact N-O 3.38Å; L394-R407 HydrophobicContact CD1-CB 4.12Å; L394-R407 HydrophobicContact CD1-CG 3.58Å; L394-V433 WeakPolarHBondContact O-CG1 3.35Å
395	N	81.5	Confident	74.6	Confident	63 Å²	63	64.4 Å²	64.4	34%	0.337	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	158.2	-171.8	-70.1	-80.9	0	0	0	111.2	M405	N395-M405 HydrophobicContact CB-CE 4.22Å; N395-M405 PolarHBondContact N-O 3.18Å; N395-M405 PolarHBondContact O-N 3.18Å
396	P	76.1	Confident	76.2	Confident	62 Å²	62	58.9 Å²	58.9	40%	0.403	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	141.7	157.8	-11	21.9	0	0	0	110.5	K398 W404	P396-K398 PolarHBondContact O-N 2.86Å; P396-W404 HydrophobicContact CB-CE3 4.36Å; P396-W404 HydrophobicContact CB-CZ3 4.07Å; P396-W404 HydrophobicContact CG-CE3 4.39Å; P396-W404 HydrophobicContact CG-CZ3 3.72Å
397	R	74.6	Confident	77.7	Confident	54 Å²	54	58.6 Å²	58.6	20%	0.204	30%	0.295	C	S	.	.			trans	-72.5	113.1	178	-173	-177	-172.4	-148.6	1.5	109.6	R399 S400 H403 I415	R397-R399 PolarHBondContact O-N 3.5Å; R397-S400 CarbonylContact O-C 3.58Å; R397-S400 VanDerWaalsContact O-C 3.29Å; R397-S400 PolarHBondContact O-N 3.43Å; R397-H403 HydrophobicContact CB-CB 4.04Å; R397-H403 VanDerWaalsContact CB-O 3.3Å; R397-H403 WeakPolarHBondContact CB-O 3.25Å; R397-H403 PolarHBondContact N-O 3.15Å; R397-I415 HydrophobicContact CG-CD1 4.22Å
398	K	71.7	Confident	78.8	Confident	208 Å²	208	57.6 Å²	57.6	90%	0.904	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-24.8	179.5	-63.9	-167.4	177.7	-165.3	0	116.3	P396	P396-K398 PolarHBondContact O-N 2.86Å
399	R	71.8	Confident	79.7	Confident	231 Å²	231	54.1 Å²	54.1	87%	0.872	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.5	-178.6	-72.6	-173.3	179.2	172.7	-2.5	114	R397	R397-R399 PolarHBondContact O-N 3.5Å
400	S	70.6	Confident	80.5	Confident	27 Å²	27	53.7 Å²	53.7	19%	0.189	27%	0.268	C	S	.	.			trans	-155.6	114	-179.7	161.1	0	0	0	0	108	R397 D402 H403	R397-S400 CarbonylContact O-C 3.58Å; R397-S400 VanDerWaalsContact O-C 3.29Å; R397-S400 PolarHBondContact O-N 3.43Å; S400-D402 PolarHBondContact O-N 2.92Å; S400-D402 VanDerWaalsContact O-N 3.16Å; S400-H403 PolarHBondContact O-N 2.9Å; S400-H403 PolarHBondContact OG-ND1 2.92Å
401	C	74.7	Confident	80.9	Confident	97 Å²	97	54.8 Å²	54.8	66%	0.655	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.5	-176.2	-62.8	0	0	0	0	112.9	H403 K418	C401-H403 VanDerWaalsContact C-N 3.34Å; C401-K418 VanDerWaalsContact O-CD 3.26Å; C401-K418 WeakPolarHBondContact O-CD 3.32Å; C401-K418 WeakPolarHBondContact O-CE 3.34Å; C401-K418 PolarHBondContact O-NZ 2.68Å
402	D	80.4	Confident	81	Confident	111 Å²	111	55.3 Å²	55.3	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	4.3	-176.3	-43.7	-52.2	0	0	0	113.5	S400 P417 K418	S400-D402 PolarHBondContact O-N 2.92Å; S400-D402 VanDerWaalsContact O-N 3.16Å; D402-P417 CarbonylContact O-C 3.54Å; D402-K418 WeakPolarHBondContact O-CG 3.39Å; D402-K418 PolarHBondContact O-N 3.42Å
403	H	83.2	Confident	81	Confident	41 Å²	41	58.7 Å²	58.7	19%	0.19	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.2	-179.1	-66	78.6	0	0	0	112.7	R397 S400 C401 I415 L416	R397-H403 HydrophobicContact CB-CB 4.04Å; R397-H403 VanDerWaalsContact CB-O 3.3Å; R397-H403 WeakPolarHBondContact CB-O 3.25Å; R397-H403 PolarHBondContact N-O 3.15Å; S400-H403 PolarHBondContact O-N 2.9Å; S400-H403 PolarHBondContact OG-ND1 2.92Å; C401-H403 VanDerWaalsContact C-N 3.34Å; H403-I415 HydrophobicContact CB-CG2 3.88Å; H403-L416 CarbonylContact C-O 3.59Å; H403-L416 WeakPolarHBondContact CA-O 3.33Å; H403-L416 VanDerWaalsContact CB-O 3.31Å; H403-L416 WeakPolarHBondContact CB-O 3.43Å
404	W	84.5	Confident	81.1	Confident	32 Å²	32	58.7 Å²	58.7	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	155.2	162.2	-62.4	115.3	0	0	0	111.6	L393 P396 I415 L416 K418 I431 V433	L393-W404 HydrophobicContact CD2-CB 4.11Å; P396-W404 HydrophobicContact CB-CE3 4.36Å; P396-W404 HydrophobicContact CB-CZ3 4.07Å; P396-W404 HydrophobicContact CG-CE3 4.39Å; P396-W404 HydrophobicContact CG-CZ3 3.72Å; W404-I415 WeakPolarHBondContact O-CA 2.96Å; W404-L416 HydrophobicContact CB-CB 4.48Å; W404-L416 PolarHBondContact N-O 2.91Å; W404-L416 PolarHBondContact O-N 3.36Å; W404-L416 VanDerWaalsContact O-N 3.11Å; W404-K418 HydrophobicContact CD2-CG 4.1Å; W404-K418 HydrophobicContact CG-CG 4.16Å; W404-K418 HydrophobicContact CZ2-CD 4.15Å; W404-K418 HydrophobicContact CZ2-CG 4.18Å; W404-I431 HydrophobicContact CG-CD1 4.29Å; W404-V433 HydrophobicContact CE3-CG2 3.9Å; W404-V433 HydrophobicContact CH2-CG2 4.23Å; W404-V433 HydrophobicContact CZ3-CG2 3.46Å; W404-V433 VanDerWaalsContact CZ3-CG2 3.46Å
405	M	86.4	Confident	81.3	Confident	34 Å²	34	58.6 Å²	58.6	17%	0.167	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.5	168.6	178.2	-170.9	76.8	0	0	108.8	L394 N395 K413 V414 I415	L394-M405 HydrophobicContact CB-CE 4.31Å; L394-M405 WeakPolarHBondContact CB-O 3.35Å; L394-M405 HydrophobicContact CD1-CE 4.43Å; L394-M405 PolarHBondContact N-O 3.38Å; N395-M405 HydrophobicContact CB-CE 4.22Å; N395-M405 PolarHBondContact N-O 3.18Å; N395-M405 PolarHBondContact O-N 3.18Å; M405-K413 HydrophobicContact CG-CD 4.41Å; M405-K413 HydrophobicContact CG-CG 4.19Å; M405-K413 HydrophobicContact SD-CD 4.16Å; M405-K413 WeakPolarHBondContact SD-CE 3.47Å; M405-V414 WeakPolarHBondContact CA-O 2.86Å; M405-I415 HydrophobicContact CB-CD1 3.96Å; M405-I415 HydrophobicContact CG-CD1 3.97Å
406	G	87.4	Confident	81.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-175.4	174.6	0	0	0	0	0	113.4	F392 V414	F392-G406 CarbonylContact O-C 3.57Å; F392-G406 WeakPolarHBondContact O-CA 3.17Å; G406-V414 PolarHBondContact N-O 2.83Å; G406-V414 PolarHBondContact O-N 3.37Å
407	R	87.7	Confident	81.4	Confident	73 Å²	73	53.4 Å²	53.4	28%	0.275	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.5	173.3	-76.8	179.5	178.6	137.5	-1.6	112	V391 F392 L394 N411 T412	V391-R407 WeakPolarHBondContact CA-O 3.46Å; F392-R407 PolarHBondContact N-O 2.98Å; F392-R407 PolarHBondContact O-N 3.49Å; L394-R407 HydrophobicContact CD1-CB 4.12Å; L394-R407 HydrophobicContact CD1-CG 3.58Å; R407-N411 VanDerWaalsContact CD-OD1 3.22Å; R407-N411 WeakPolarHBondContact CD-OD1 3.29Å; R407-N411 PolarHBondContact NE-OD1 2.85Å; R407-T412 VanDerWaalsContact CA-O 3.3Å; R407-T412 WeakPolarHBondContact CA-O 3.25Å
408	T	87.6	Confident	81.5	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	170.1	168.6	63.9	0	0	0	0	111.1	R253 A389 G390 V391 G410 N411 T412 V414	R253-T408 PolarHBondContact NH2-O 3.3Å; A389-T408 HydrophobicContact CB-CG2 3.89Å; G390-T408 WeakPolarHBondContact O-CA 3.25Å; V391-T408 HydrophobicContact CG2-CG2 3.86Å; T408-G410 PolarHBondContact O-N 3.17Å; T408-G410 PolarHBondContact OG1-N 3.05Å; T408-N411 PolarHBondContact O-N 2.84Å; T408-T412 PolarHBondContact N-O 2.82Å; T408-T412 WeakPolarHBondContact OG1-CB 3.41Å; T408-T412 PolarHBondContact OG1-N 2.88Å; T408-T412 VanDerWaalsContact OG1-N 3.12Å; T408-V414 HydrophobicContact CG2-CG2 3.66Å
409	D	87.2	Confident	81.4	Confident	44 Å²	44	50.1 Å²	50.1	24%	0.235	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-43.3	167.8	-171.1	72.6	0	0	0	112.1	R253 C277 K278 C279 N411	R253-D409 PolarHBondContact NH1-O 3.02Å; R253-D409 PolarHBondContact NH2-O 2.8Å; C277-D409 VanDerWaalsContact CA-OD1 3.27Å; C277-D409 WeakPolarHBondContact CA-OD1 3.46Å; C277-D409 PolarHBondContact SG-OD1 2.94Å; C277-D409 VanDerWaalsContact SG-OD1 3.33Å; K278-D409 VanDerWaalsContact CA-OD2 3.29Å; K278-D409 WeakPolarHBondContact CA-OD2 3.46Å; K278-D409 WeakPolarHBondContact CB-OD2 3.49Å; K278-D409 PolarHBondContact N-OD2 3.33Å; C279-D409 WeakPolarHBondContact CB-O 3.28Å; D409-N411 PolarHBondContact O-N 2.73Å
410	G	85.2	Confident	81.1	Confident	6 Å²	6	41.4 Å²	41.4	6%	0.062	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	14	173.4	0	0	0	0	0	117	T319 T408 T412	T319-G410 WeakPolarHBondContact OG1-CA 3.45Å; T408-G410 PolarHBondContact O-N 3.17Å; T408-G410 PolarHBondContact OG1-N 3.05Å; G410-T412 PolarHBondContact O-N 3.34Å; G410-T412 VanDerWaalsContact O-N 3.1Å
411	N	86.2	Confident	80.3	Confident	56 Å²	56	44.3 Å²	44.3	30%	0.299	24%	0.244	S	C	.	.			trans	60.9	16.7	179.6	-164	26.4	0	0	0	114.5	R407 T408 D409	R407-N411 VanDerWaalsContact CD-OD1 3.22Å; R407-N411 WeakPolarHBondContact CD-OD1 3.29Å; R407-N411 PolarHBondContact NE-OD1 2.85Å; T408-N411 PolarHBondContact O-N 2.84Å; D409-N411 PolarHBondContact O-N 2.73Å
412	T	82.8	Confident	79.2	Confident	11 Å²	11	42 Å²	42	7%	0.067	23%	0.229	C	C	.	.			trans	-78.2	131.5	177.1	-58.3	0	0	0	0	109.6	R407 T408 G410 V414 I449	R407-T412 VanDerWaalsContact CA-O 3.3Å; R407-T412 WeakPolarHBondContact CA-O 3.25Å; T408-T412 PolarHBondContact N-O 2.82Å; T408-T412 WeakPolarHBondContact OG1-CB 3.41Å; T408-T412 PolarHBondContact OG1-N 2.88Å; T408-T412 VanDerWaalsContact OG1-N 3.12Å; G410-T412 PolarHBondContact O-N 3.34Å; G410-T412 VanDerWaalsContact O-N 3.1Å; T412-V414 PolarHBondContact O-N 3.02Å; T412-I449 HydrophobicContact CG2-CD1 3.61Å; T412-I449 HydrophobicContact CG2-CG1 3.97Å
413	K	83.1	Confident	77.9	Confident	71 Å²	71	43 Å²	43	31%	0.309	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.7	178.7	178.9	176.4	171.1	171.7	0	110.9	M405 F448 I449	M405-K413 HydrophobicContact CG-CD 4.41Å; M405-K413 HydrophobicContact CG-CG 4.19Å; M405-K413 HydrophobicContact SD-CD 4.16Å; M405-K413 WeakPolarHBondContact SD-CE 3.47Å; K413-F448 HydrophobicContact CB-CB 4.45Å; K413-F448 HydrophobicContact CD-CB 4.35Å; K413-F448 HydrophobicContact CG-CB 4.31Å; K413-I449 PolarHBondContact O-N 3.47Å
414	V	81.9	Confident	76.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.4	179.7	175.8	0	0	0	0	110.2	V391 M405 G406 T408 T412 L416 F451	V391-V414 HydrophobicContact CG1-CB 3.94Å; V391-V414 HydrophobicContact CG1-CG1 4.05Å; V391-V414 HydrophobicContact CG1-CG2 4.36Å; V391-V414 HydrophobicContact CG2-CB 3.96Å; V391-V414 HydrophobicContact CG2-CG1 3.94Å; V391-V414 HydrophobicContact CG2-CG2 3.61Å; M405-V414 WeakPolarHBondContact CA-O 2.86Å; G406-V414 PolarHBondContact N-O 2.83Å; G406-V414 PolarHBondContact O-N 3.37Å; T408-V414 HydrophobicContact CG2-CG2 3.66Å; T412-V414 PolarHBondContact O-N 3.02Å; V414-L416 HydrophobicContact CG1-CD1 4.03Å; V414-L416 HydrophobicContact CG1-CD2 4.23Å; V414-L416 HydrophobicContact CG1-CG 3.83Å; V414-F451 HydrophobicContact CB-CD2 3.95Å; V414-F451 HydrophobicContact CB-CE2 4.03Å; V414-F451 HydrophobicContact CG1-CB 3.94Å; V414-F451 HydrophobicContact CG1-CD2 3.2Å; V414-F451 HydrophobicContact CG1-CE2 3.74Å; V414-F451 HydrophobicContact CG1-CG 3.75Å; V414-F451 HydrophobicContact CG2-CD2 3.79Å; V414-F451 HydrophobicContact CG2-CE2 3.33Å; V414-F451 HydrophobicContact CG2-CZ 4.1Å
415	I	83.9	Confident	74.3	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.1	171.3	-58.2	-56.4	0	0	0	108.6	R397 H403 W404 M405 F448 I449 L450 F451	R397-I415 HydrophobicContact CG-CD1 4.22Å; H403-I415 HydrophobicContact CB-CG2 3.88Å; W404-I415 WeakPolarHBondContact O-CA 2.96Å; M405-I415 HydrophobicContact CB-CD1 3.96Å; M405-I415 HydrophobicContact CG-CD1 3.97Å; I415-F448 HydrophobicContact CG1-CD2 3.96Å; I415-F448 HydrophobicContact CG1-CE2 4.44Å; I415-I449 PolarHBondContact N-O 3.05Å; I415-L450 HydrophobicContact CB-CG 4.43Å; I415-L450 HydrophobicContact CG2-CD2 4.38Å; I415-F451 PolarHBondContact O-N 3.07Å; I415-F451 VanDerWaalsContact O-N 3.15Å
416	L	79.9	Confident	72.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.9	-178.5	-65	154.4	0	0	0	108.5	V391 L393 H403 W404 V414 F420 V437 V439 F451 L453	V391-L416 HydrophobicContact CG1-CD1 4.08Å; L393-L416 HydrophobicContact CD2-CD1 3.5Å; H403-L416 CarbonylContact C-O 3.59Å; H403-L416 WeakPolarHBondContact CA-O 3.33Å; H403-L416 VanDerWaalsContact CB-O 3.31Å; H403-L416 WeakPolarHBondContact CB-O 3.43Å; W404-L416 HydrophobicContact CB-CB 4.48Å; W404-L416 PolarHBondContact N-O 2.91Å; W404-L416 PolarHBondContact O-N 3.36Å; W404-L416 VanDerWaalsContact O-N 3.11Å; V414-L416 HydrophobicContact CG1-CD1 4.03Å; V414-L416 HydrophobicContact CG1-CD2 4.23Å; V414-L416 HydrophobicContact CG1-CG 3.83Å; L416-F420 HydrophobicContact CB-CE1 4.4Å; L416-F420 HydrophobicContact CB-CZ 4.41Å; L416-V437 HydrophobicContact CD1-CG2 4.01Å; L416-V439 HydrophobicContact CD1-CG1 3.96Å; L416-V439 HydrophobicContact CD2-CB 4.06Å; L416-V439 HydrophobicContact CD2-CG1 3.51Å; L416-V439 HydrophobicContact CG-CG1 4.37Å; L416-F451 HydrophobicContact CD2-CB 3.58Å; L416-L453 HydrophobicContact CD2-CD1 4.08Å
417	P	79.5	Confident	70.3	Confident	17 Å²	17	58.6 Å²	58.6	11%	0.11	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	163.1	167.6	14	-18.7	0	0	0	111.3	D402 F420 Y452	D402-P417 CarbonylContact O-C 3.54Å; P417-F420 HydrophobicContact CB-CD1 4.34Å; P417-F420 HydrophobicContact CB-CE1 4.04Å; P417-F420 HydrophobicContact CG-CD1 3.69Å; P417-F420 HydrophobicContact CG-CE1 3.5Å; P417-F420 VanDerWaalsContact CG-CE1 3.5Å; P417-F420 WeakPolarHBondContact O-CE1 3.28Å; P417-F420 WeakPolarHBondContact O-CZ 3.42Å; P417-Y452 HydrophobicContact CG-CD1 4.24Å; P417-Y452 HydrophobicContact CG-CE1 4.16Å
418	K	76.4	Confident	68.7	Low	72 Å²	72	60.4 Å²	60.4	31%	0.313	36%	0.362	S	S	.	.	S	Bend	trans	-82.9	-28	174.5	-73.5	-172	168.4	173.3	0	112.9	C401 D402 W404	C401-K418 VanDerWaalsContact O-CD 3.26Å; C401-K418 WeakPolarHBondContact O-CD 3.32Å; C401-K418 WeakPolarHBondContact O-CE 3.34Å; C401-K418 PolarHBondContact O-NZ 2.68Å; D402-K418 WeakPolarHBondContact O-CG 3.39Å; D402-K418 PolarHBondContact O-N 3.42Å; W404-K418 HydrophobicContact CD2-CG 4.1Å; W404-K418 HydrophobicContact CG-CG 4.16Å; W404-K418 HydrophobicContact CZ2-CD 4.15Å; W404-K418 HydrophobicContact CZ2-CG 4.18Å
419	T	68.8	Low	67.3	Low	121 Å²	121	66 Å²	66	74%	0.742	39%	0.386	S	S	*	.			trans	-119	134.8	-177.3	49.5	0	0	0	0	109.3
420	F	65.7	Low	66.5	Low	48 Å²	48	67.8 Å²	67.8	21%	0.211	40%	0.402	C	S	.	.			trans	-134.3	144.5	178.4	-35.1	-87.7	0	0	0	108.9	L416 P417 I431 L453	L416-F420 HydrophobicContact CB-CE1 4.4Å; L416-F420 HydrophobicContact CB-CZ 4.41Å; P417-F420 HydrophobicContact CB-CD1 4.34Å; P417-F420 HydrophobicContact CB-CE1 4.04Å; P417-F420 HydrophobicContact CG-CD1 3.69Å; P417-F420 HydrophobicContact CG-CE1 3.5Å; P417-F420 VanDerWaalsContact CG-CE1 3.5Å; P417-F420 WeakPolarHBondContact O-CE1 3.28Å; P417-F420 WeakPolarHBondContact O-CZ 3.42Å; F420-I431 HydrophobicContact CE2-CD1 3.3Å; F420-I431 HydrophobicContact CE2-CG1 3.78Å; F420-I431 HydrophobicContact CZ-CD1 3.33Å; F420-I431 HydrophobicContact CZ-CG1 4.28Å; F420-L453 HydrophobicContact CD1-CB 3.91Å; F420-L453 HydrophobicContact CD1-CD1 3.85Å; F420-L453 HydrophobicContact CD2-CD1 4.04Å; F420-L453 HydrophobicContact CE1-CB 4.19Å; F420-L453 HydrophobicContact CE1-CD1 3.31Å; F420-L453 HydrophobicContact CE1-CG 4.35Å; F420-L453 HydrophobicContact CE2-CD1 3.55Å; F420-L453 HydrophobicContact CG-CB 4.12Å; F420-L453 HydrophobicContact CG-CD1 4.17Å; F420-L453 HydrophobicContact CZ-CD1 3.11Å; F420-L453 HydrophobicContact CZ-CG 4.43Å
421	A	55	Low	66.1	Low	87 Å²	87	67.8 Å²	67.8	72%	0.719	40%	0.4	S	S	*	.			trans	-77.5	123.2	160.5	0	0	0	0	0	107.1
422	C	50.9	Low	65.9	Low	50 Å²	50	70 Å²	70	34%	0.338	41%	0.408	S	S	.	.			trans	-82.1	120.5	165	-69.6	0	0	0	0	107	H424	C422-H424 PolarHBondContact O-N 3.48Å; C422-H424 VanDerWaalsContact O-N 3.15Å
423	D	52.3	Low	66	Low	130 Å²	130	72 Å²	72	70%	0.695	42%	0.421	S	S	*	.	S	Bend	trans	-62.3	-20	177.7	-75.7	-20.2	0	0	0	112.4
424	H	46	Very low	66	Low	151 Å²	151	69.1 Å²	69.1	70%	0.699	41%	0.411	S	S	*	.	S	Bend	trans	-133.7	120.3	179	-62.6	-62.1	0	0	0	110.8	C422	C422-H424 PolarHBondContact O-N 3.48Å; C422-H424 VanDerWaalsContact O-N 3.15Å
425	S	46.1	Very low	66.2	Low	92 Å²	92	72 Å²	72	64%	0.643	43%	0.427	S	S	*	.			trans	82.8	136.1	176.9	80.5	0	0	0	0	116.9	C427	S425-C427 PolarHBondContact O-N 3.4Å
426	S	45.8	Very low	66.3	Low	132 Å²	132	74.5 Å²	74.5	92%	0.923	44%	0.437	S	S	*	.	S	Bend	trans	-63.4	19.4	175.3	48.4	0	0	0	0	114.7	S428	S426-S428 PolarHBondContact O-N 2.72Å
427	C	44.2	Very low	66.6	Low	61 Å²	61	74.9 Å²	74.9	41%	0.412	44%	0.439	S	S	.	.			trans	-94.6	87.5	-178.3	-159.2	0	0	0	0	109.8	S425 K429	S425-C427 PolarHBondContact O-N 3.4Å; C427-K429 PolarHBondContact O-N 3.3Å; C427-K429 VanDerWaalsContact SG-CG 3.56Å
428	S	53.8	Low	66.8	Low	110 Å²	110	76 Å²	76	77%	0.769	45%	0.445	S	S	*	.			trans	-71.2	73.3	165.3	51.3	0	0	0	0	109.8	S426 S430	S426-S428 PolarHBondContact O-N 2.72Å; S428-S430 PolarHBondContact O-N 3.42Å; S428-S430 VanDerWaalsContact O-N 3.1Å
429	K	57.9	Low	66.9	Low	126 Å²	126	72.8 Å²	72.8	55%	0.548	43%	0.431	S	S	.	.			trans	-64.3	115.9	170.1	-72.6	-170.9	178	177.7	0	108.5	C427 I431 M456	C427-K429 PolarHBondContact O-N 3.3Å; C427-K429 VanDerWaalsContact SG-CG 3.56Å; K429-I431 PolarHBondContact O-N 3.42Å; K429-M456 HydrophobicContact CB-CE 3.96Å; K429-M456 HydrophobicContact CB-SD 4Å
430	S	70.2	Confident	67.3	Low	82 Å²	82	69.2 Å²	69.2	57%	0.573	41%	0.405	S	S	*	.			trans	-70.6	123.8	170.6	47.5	0	0	0	0	109.1	S428 H432	S428-S430 PolarHBondContact O-N 3.42Å; S428-S430 VanDerWaalsContact O-N 3.1Å; S430-H432 PolarHBondContact O-CE1 3.36Å; S430-H432 PolarHBondContact O-ND1 3.11Å; S430-H432 VanDerWaalsContact O-ND1 3.15Å; S430-H432 PolarHBondContact OG-CE1 2.85Å
431	I	78.4	Confident	67.6	Low	7 Å²	7	67 Å²	67	4%	0.036	40%	0.396	C	S	.	.			trans	-86.7	142.2	171.2	56.3	165.5	0	0	0	109.7	L393 W404 F420 K429 V437 M456	L393-I431 HydrophobicContact CD1-CB 3.86Å; L393-I431 HydrophobicContact CD1-CD1 3.76Å; L393-I431 HydrophobicContact CD1-CG1 4.19Å; W404-I431 HydrophobicContact CG-CD1 4.29Å; F420-I431 HydrophobicContact CE2-CD1 3.3Å; F420-I431 HydrophobicContact CE2-CG1 3.78Å; F420-I431 HydrophobicContact CZ-CD1 3.33Å; F420-I431 HydrophobicContact CZ-CG1 4.28Å; K429-I431 PolarHBondContact O-N 3.42Å; I431-V437 HydrophobicContact CG2-CG1 3.9Å; I431-M456 HydrophobicContact CG2-CE 3.37Å
432	H	82.2	Confident	68.4	Low	101 Å²	101	65.7 Å²	65.7	47%	0.468	38%	0.381	S	S	.	.			trans	-126.5	164.2	-177.7	-56.2	91.2	0	0	0	111.3	L393 S430 G434 D435	L393-H432 WeakPolarHBondContact CD1-O 3.23Å; S430-H432 PolarHBondContact O-CE1 3.36Å; S430-H432 PolarHBondContact O-ND1 3.11Å; S430-H432 VanDerWaalsContact O-ND1 3.15Å; S430-H432 PolarHBondContact OG-CE1 2.85Å; H432-G434 PolarHBondContact O-N 3.27Å; H432-D435 PolarHBondContact N-OD2 2.83Å; H432-D435 IonicContact ND1-OD2 3.23Å; H432-D435 WeakPolarHBondContact O-CB 3.45Å; H432-D435 PolarHBondContact O-N 2.78Å
433	V	84.4	Confident	69.3	Low	55 Å²	55	68.9 Å²	68.9	33%	0.333	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	130.3	169.4	171.9	0	0	0	0	108.6	A142 L394 W404	A142-V433 HydrophobicContact CB-CG1 3.88Å; L394-V433 WeakPolarHBondContact O-CG1 3.35Å; W404-V433 HydrophobicContact CE3-CG2 3.9Å; W404-V433 HydrophobicContact CH2-CG2 4.23Å; W404-V433 HydrophobicContact CZ3-CG2 3.46Å; W404-V433 VanDerWaalsContact CZ3-CG2 3.46Å
434	G	83.5	Confident	70.1	Confident	9 Å²	9	64 Å²	64	9%	0.093	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.3	-13.3	-174.1	0	0	0	0	0	114.6	F392 L393 H432	F392-G434 WeakPolarHBondContact CE2-O 3.26Å; L393-G434 PolarHBondContact O-N 2.95Å; H432-G434 PolarHBondContact O-N 3.27Å
435	D	85.4	Confident	71	Confident	62 Å²	62	58.7 Å²	58.7	33%	0.332	34%	0.341	S	S	.	.			trans	-79.3	145.7	177.9	-63.1	-18.6	0	0	0	111.6	L393 H432 V437	L393-D435 HydrophobicContact CD1-CB 4.33Å; L393-D435 PolarHBondContact N-O 3.22Å; H432-D435 PolarHBondContact N-OD2 2.83Å; H432-D435 IonicContact ND1-OD2 3.23Å; H432-D435 WeakPolarHBondContact O-CB 3.45Å; H432-D435 PolarHBondContact O-N 2.78Å; D435-V437 HydrophobicContact CB-CG1 4.37Å
436	F	86.6	Confident	71.7	Confident	52 Å²	52	58 Å²	58	23%	0.228	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.7	164.3	-64.9	-83	0	0	0	108.7	K189 R251 V391 F392	K189-F436 HydrophobicContact CB-CE2 4.22Å; K189-F436 HydrophobicContact CB-CZ 4.41Å; R251-F436 HydrophobicContact CB-CE1 4.38Å; R251-F436 HydrophobicContact CB-CZ 4.09Å; V391-F436 CarbonylContact O-C 3.57Å; V391-F436 WeakPolarHBondContact O-CA 3.3Å; F392-F436 HydrophobicContact CB-CD1 3.79Å; F392-F436 HydrophobicContact CB-CE1 3.6Å; F392-F436 AromaticContact CD2-CD1 3.83Å; F392-F436 HydrophobicContact CD2-CD1 3.83Å; F392-F436 HydrophobicContact CD2-CD2 4.36Å; F392-F436 AromaticContact CD2-CE1 3.44Å; F392-F436 HydrophobicContact CD2-CE1 3.44Å; F392-F436 VanDerWaalsContact CD2-CE1 3.44Å; F392-F436 HydrophobicContact CD2-CE2 4.04Å; F392-F436 HydrophobicContact CD2-CG 4.27Å; F392-F436 AromaticContact CD2-CZ 3.57Å; F392-F436 HydrophobicContact CD2-CZ 3.57Å; F392-F436 HydrophobicContact CE2-CE1 4.33Å; F392-F436 HydrophobicContact CE2-CE2 4.3Å; F392-F436 HydrophobicContact CE2-CZ 4.02Å; F392-F436 HydrophobicContact CG-CD1 4.2Å; F392-F436 AromaticContact CG-CE1 3.7Å; F392-F436 HydrophobicContact CG-CE1 3.7Å; F392-F436 HydrophobicContact CG-CZ 4.15Å
437	V	85.5	Confident	72.1	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.9	-177.7	-65.1	0	0	0	0	110.5	V391 L393 L416 I431 D435 V439	V391-V437 HydrophobicContact CB-CG2 4.09Å; V391-V437 HydrophobicContact CG1-CG2 4.41Å; V391-V437 PolarHBondContact N-O 3.24Å; V391-V437 WeakPolarHBondContact O-CG2 3.35Å; V391-V437 PolarHBondContact O-N 3.01Å; L393-V437 HydrophobicContact CD1-CG1 4.16Å; L393-V437 HydrophobicContact CD1-CG2 4.34Å; L393-V437 HydrophobicContact CD2-CG2 4Å; L393-V437 HydrophobicContact CG-CG2 4.09Å; L416-V437 HydrophobicContact CD1-CG2 4.01Å; I431-V437 HydrophobicContact CG2-CG1 3.9Å; D435-V437 HydrophobicContact CB-CG1 4.37Å; V437-V439 HydrophobicContact CB-CG1 4.37Å; V437-V439 HydrophobicContact CG2-CG1 3.79Å
438	L	82.7	Confident	72.6	Confident	42 Å²	42	56.9 Å²	56.9	22%	0.22	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130	169.5	-167.9	65.5	0	0	0	109.2	Q388	Q388-L438 HydrophobicContact CB-CD1 4.11Å; Q388-L438 HydrophobicContact CB-CG 4.43Å
439	V	79.2	Confident	72.7	Confident	3 Å²	3	52 Å²	52	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.3	-175.1	-57.4	0	0	0	0	111	Q388 A389 V391 L416 V437 F451 L453	Q388-V439 CarbonylContact C-O 3.57Å; Q388-V439 VanDerWaalsContact CA-O 3.28Å; Q388-V439 WeakPolarHBondContact CA-O 3.35Å; A389-V439 PolarHBondContact N-O 2.98Å; A389-V439 VanDerWaalsContact O-CG2 3.24Å; A389-V439 WeakPolarHBondContact O-CG2 3.38Å; A389-V439 PolarHBondContact O-N 2.99Å; V391-V439 HydrophobicContact CB-CG1 4.46Å; V391-V439 HydrophobicContact CB-CG2 4.12Å; V391-V439 HydrophobicContact CG2-CG2 3.37Å; L416-V439 HydrophobicContact CD1-CG1 3.96Å; L416-V439 HydrophobicContact CD2-CB 4.06Å; L416-V439 HydrophobicContact CD2-CG1 3.51Å; L416-V439 HydrophobicContact CG-CG1 4.37Å; V437-V439 HydrophobicContact CB-CG1 4.37Å; V437-V439 HydrophobicContact CG2-CG1 3.79Å; V439-F451 HydrophobicContact CB-CB 4.08Å; V439-F451 HydrophobicContact CB-CD1 3.73Å; V439-F451 HydrophobicContact CB-CE1 4.45Å; V439-F451 HydrophobicContact CB-CG 4.21Å; V439-F451 HydrophobicContact CG2-CB 4.09Å; V439-F451 HydrophobicContact CG2-CD1 3.19Å; V439-F451 HydrophobicContact CG2-CD2 4.47Å; V439-F451 HydrophobicContact CG2-CE1 3.53Å; V439-F451 HydrophobicContact CG2-CG 3.73Å; V439-F451 HydrophobicContact CG2-CZ 4.27Å; V439-L453 HydrophobicContact CG1-CD1 4.34Å; V439-L453 HydrophobicContact CG1-CG 4.12Å
440	Q	77	Confident	72.3	Confident	46 Å²	46	48 Å²	48	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.6	177.6	-175.6	174.7	-21.3	0	0	111	C442 F451 Y452 S454	Q440-C442 PolarHBondContact O-N 2.86Å; Q440-F451 WeakPolarHBondContact O-CD1 3.34Å; Q440-Y452 PolarHBondContact N-O 3.07Å; Q440-S454 VanDerWaalsContact OE1-CB 3.31Å
441	V	73.5	Confident	71.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	114.1	179.4	-177.8	0	0	0	0	109.4	L383 L385 S386 A387 V444 I449 F451	L383-V441 HydrophobicContact CB-CG2 3.98Å; L383-V441 HydrophobicContact CD1-CG2 4.31Å; L385-V441 HydrophobicContact CD2-CG1 4.38Å; S386-V441 PolarHBondContact N-O 3.17Å; A387-V441 HydrophobicContact CB-CG2 4.2Å; A387-V441 WeakPolarHBondContact O-CG2 3.12Å; A387-V441 PolarHBondContact O-N 2.9Å; V441-V444 HydrophobicContact CG1-CG2 3.56Å; V441-I449 HydrophobicContact CG1-CG2 3.68Å; V441-I449 HydrophobicContact CG2-CG2 4.39Å; V441-F451 HydrophobicContact CB-CD1 4.29Å; V441-F451 HydrophobicContact CB-CE1 3.89Å; V441-F451 HydrophobicContact CB-CZ 4.34Å; V441-F451 HydrophobicContact CG2-CD1 4Å; V441-F451 HydrophobicContact CG2-CE1 3.13Å; V441-F451 HydrophobicContact CG2-CE2 4.36Å; V441-F451 HydrophobicContact CG2-CZ 3.37Å; V441-F451 VanDerWaalsContact N-CD1 3.35Å
442	C	71	Confident	70.1	Confident	60 Å²	60	50.4 Å²	50.4	41%	0.405	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-33.2	175.2	-60.4	0	0	0	0	112.4	L385 Q440 Y452	L385-C442 VanDerWaalsContact CD2-O 3.26Å; L385-C442 WeakPolarHBondContact CD2-O 3.41Å; Q440-C442 PolarHBondContact O-N 2.86Å; C442-Y452 HydrophobicContact CB-CD2 4.13Å
443	F	69.4	Low	68.5	Low	117 Å²	117	46.5 Å²	46.5	51%	0.513	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	137.7	-179.3	-176.6	-99.4	0	0	0	111.5	N445 I449 L450	F443-N445 HydrophobicContact CE1-CB 3.89Å; F443-I449 VanDerWaalsContact O-CG2 3.27Å; F443-I449 WeakPolarHBondContact O-CG2 3.48Å; F443-L450 HydrophobicContact CB-CB 3.99Å; F443-L450 HydrophobicContact CD1-CB 4.08Å; F443-L450 HydrophobicContact CD1-CD1 4.05Å; F443-L450 PolarHBondContact N-O 2.64Å; F443-L450 CarbonylContact O-C 3.29Å; F443-L450 PolarHBondContact O-N 3.44Å
444	V	68.4	Low	66.7	Low	28 Å²	28	46.3 Å²	46.3	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.1	174.9	-176	0	0	0	0	109.7	I382 V441 I449	I382-V444 HydrophobicContact CB-CG1 3.98Å; I382-V444 HydrophobicContact CD1-CG1 3.68Å; I382-V444 HydrophobicContact CG1-CG1 3.59Å; I382-V444 HydrophobicContact CG2-CB 3.54Å; I382-V444 HydrophobicContact CG2-CG1 3.23Å; I382-V444 HydrophobicContact CG2-CG2 3.38Å; V441-V444 HydrophobicContact CG1-CG2 3.56Å; V444-I449 HydrophobicContact CB-CG1 4.39Å; V444-I449 HydrophobicContact CG1-CD1 4.38Å; V444-I449 HydrophobicContact CG1-CG1 3.75Å; V444-I449 HydrophobicContact CG2-CD1 4.37Å; V444-I449 HydrophobicContact CG2-CG1 4.16Å; V444-I449 HydrophobicContact CG2-CG2 3.83Å
445	N	66.6	Low	64.8	Low	39 Å²	39	51.6 Å²	51.6	21%	0.209	27%	0.269	C	S	.	.			trans	-117.5	173.1	164.4	74.6	41.7	0	0	0	111.9	F443 L447 F448	F443-N445 HydrophobicContact CE1-CB 3.89Å; N445-L447 PolarHBondContact O-N 2.97Å; N445-L447 WeakPolarHBondContact OD1-CA 3.44Å; N445-L447 PolarHBondContact OD1-N 3.32Å; N445-F448 PolarHBondContact N-O 2.94Å; N445-F448 VanDerWaalsContact N-O 3.08Å; N445-F448 VanDerWaalsContact ND2-CD2 3.34Å; N445-F448 WeakPolarHBondContact ND2-CD2 3.39Å; N445-F448 VanDerWaalsContact ND2-CE1 3.33Å; N445-F448 WeakPolarHBondContact ND2-CE1 3.38Å; N445-F448 WeakPolarHBondContact ND2-CE2 3.48Å; N445-F448 WeakPolarHBondContact ND2-CZ 3.06Å; N445-F448 PolarHBondContact OD1-N 3.33Å; N445-F448 PolarHBondContact OD1-O 3.21Å
446	A	60.4	Low	62.6	Low	77 Å²	77	51.5 Å²	51.5	64%	0.636	27%	0.267	S	S	*	.	S	Bend	trans	-66	-0.6	-177.5	0	0	0	0	0	115.7	Y379	Y379-A446 WeakPolarHBondContact CD2-O 3.26Å; Y379-A446 WeakPolarHBondContact CE2-O 3.1Å
447	L	54.1	Low	60.4	Low	127 Å²	127	53 Å²	53	67%	0.665	28%	0.28	S	S	*	.	S	Bend	trans	-132.5	-25.6	-173.8	-82.5	154.1	0	0	0	114	Y379 N445	Y379-L447 PolarHBondContact OH-O 2.94Å; N445-L447 PolarHBondContact O-N 2.97Å; N445-L447 WeakPolarHBondContact OD1-CA 3.44Å; N445-L447 PolarHBondContact OD1-N 3.32Å
448	F	55.3	Low	58.1	Low	43 Å²	43	56.3 Å²	56.3	19%	0.189	31%	0.308	C	S	.	.			trans	-163.8	158.2	-179	51.7	-86.3	0	0	0	110.2	K413 I415 N445 L450	K413-F448 HydrophobicContact CB-CB 4.45Å; K413-F448 HydrophobicContact CD-CB 4.35Å; K413-F448 HydrophobicContact CG-CB 4.31Å; I415-F448 HydrophobicContact CG1-CD2 3.96Å; I415-F448 HydrophobicContact CG1-CE2 4.44Å; N445-F448 PolarHBondContact N-O 2.94Å; N445-F448 VanDerWaalsContact N-O 3.08Å; N445-F448 VanDerWaalsContact ND2-CD2 3.34Å; N445-F448 WeakPolarHBondContact ND2-CD2 3.39Å; N445-F448 VanDerWaalsContact ND2-CE1 3.33Å; N445-F448 WeakPolarHBondContact ND2-CE1 3.38Å; N445-F448 WeakPolarHBondContact ND2-CE2 3.48Å; N445-F448 WeakPolarHBondContact ND2-CZ 3.06Å; N445-F448 PolarHBondContact OD1-N 3.33Å; N445-F448 PolarHBondContact OD1-O 3.21Å; F448-L450 HydrophobicContact CD2-CD1 4.33Å; F448-L450 HydrophobicContact CE2-CD1 3.76Å; F448-L450 HydrophobicContact CE2-CG 4.34Å
449	I	54.5	Low	56.2	Low	8 Å²	8	62.3 Å²	62.3	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.4	175	-55.4	178.6	0	0	0	107.9	L383 T412 K413 I415 V441 F443 V444 F451	L383-I449 HydrophobicContact CB-CD1 3.98Å; L383-I449 HydrophobicContact CD1-CD1 3.78Å; L383-I449 HydrophobicContact CG-CD1 4.12Å; T412-I449 HydrophobicContact CG2-CD1 3.61Å; T412-I449 HydrophobicContact CG2-CG1 3.97Å; K413-I449 PolarHBondContact O-N 3.47Å; I415-I449 PolarHBondContact N-O 3.05Å; V441-I449 HydrophobicContact CG1-CG2 3.68Å; V441-I449 HydrophobicContact CG2-CG2 4.39Å; F443-I449 VanDerWaalsContact O-CG2 3.27Å; F443-I449 WeakPolarHBondContact O-CG2 3.48Å; V444-I449 HydrophobicContact CB-CG1 4.39Å; V444-I449 HydrophobicContact CG1-CD1 4.38Å; V444-I449 HydrophobicContact CG1-CG1 3.75Å; V444-I449 HydrophobicContact CG2-CD1 4.37Å; V444-I449 HydrophobicContact CG2-CG1 4.16Å; V444-I449 HydrophobicContact CG2-CG2 3.83Å; I449-F451 HydrophobicContact CB-CD2 3.93Å; I449-F451 HydrophobicContact CB-CE2 3.45Å; I449-F451 VanDerWaalsContact CB-CE2 3.45Å; I449-F451 HydrophobicContact CB-CZ 4.34Å; I449-F451 HydrophobicContact CD1-CE2 4.43Å; I449-F451 HydrophobicContact CG2-CD2 3.44Å; I449-F451 VanDerWaalsContact CG2-CD2 3.44Å; I449-F451 HydrophobicContact CG2-CE2 3.1Å; I449-F451 HydrophobicContact CG2-CG 4.35Å; I449-F451 HydrophobicContact CG2-CZ 3.73Å
450	L	50.6	Low	55	Low	42 Å²	42	65.3 Å²	65.3	22%	0.22	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.7	172.7	-103.5	139.7	0	0	0	108	I415 F443 F448	I415-L450 HydrophobicContact CB-CG 4.43Å; I415-L450 HydrophobicContact CG2-CD2 4.38Å; F443-L450 HydrophobicContact CB-CB 3.99Å; F443-L450 HydrophobicContact CD1-CB 4.08Å; F443-L450 HydrophobicContact CD1-CD1 4.05Å; F443-L450 PolarHBondContact N-O 2.64Å; F443-L450 CarbonylContact O-C 3.29Å; F443-L450 PolarHBondContact O-N 3.44Å; F448-L450 HydrophobicContact CD2-CD1 4.33Å; F448-L450 HydrophobicContact CE2-CD1 3.76Å; F448-L450 HydrophobicContact CE2-CG 4.34Å
451	F	52.6	Low	53.9	Low	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.4	-178.8	-75.4	-105.7	0	0	0	108.9	L383 A389 V414 I415 L416 V439 Q440 V441 I449	L383-F451 HydrophobicContact CD1-CZ 4.09Å; A389-F451 HydrophobicContact CB-CE1 4.16Å; A389-F451 HydrophobicContact CB-CZ 4.26Å; V414-F451 HydrophobicContact CB-CD2 3.95Å; V414-F451 HydrophobicContact CB-CE2 4.03Å; V414-F451 HydrophobicContact CG1-CB 3.94Å; V414-F451 HydrophobicContact CG1-CD2 3.2Å; V414-F451 HydrophobicContact CG1-CE2 3.74Å; V414-F451 HydrophobicContact CG1-CG 3.75Å; V414-F451 HydrophobicContact CG2-CD2 3.79Å; V414-F451 HydrophobicContact CG2-CE2 3.33Å; V414-F451 HydrophobicContact CG2-CZ 4.1Å; I415-F451 PolarHBondContact O-N 3.07Å; I415-F451 VanDerWaalsContact O-N 3.15Å; L416-F451 HydrophobicContact CD2-CB 3.58Å; V439-F451 HydrophobicContact CB-CB 4.08Å; V439-F451 HydrophobicContact CB-CD1 3.73Å; V439-F451 HydrophobicContact CB-CE1 4.45Å; V439-F451 HydrophobicContact CB-CG 4.21Å; V439-F451 HydrophobicContact CG2-CB 4.09Å; V439-F451 HydrophobicContact CG2-CD1 3.19Å; V439-F451 HydrophobicContact CG2-CD2 4.47Å; V439-F451 HydrophobicContact CG2-CE1 3.53Å; V439-F451 HydrophobicContact CG2-CG 3.73Å; V439-F451 HydrophobicContact CG2-CZ 4.27Å; Q440-F451 WeakPolarHBondContact O-CD1 3.34Å; V441-F451 HydrophobicContact CB-CD1 4.29Å; V441-F451 HydrophobicContact CB-CE1 3.89Å; V441-F451 HydrophobicContact CB-CZ 4.34Å; V441-F451 HydrophobicContact CG2-CD1 4Å; V441-F451 HydrophobicContact CG2-CE1 3.13Å; V441-F451 HydrophobicContact CG2-CE2 4.36Å; V441-F451 HydrophobicContact CG2-CZ 3.37Å; V441-F451 VanDerWaalsContact N-CD1 3.35Å; I449-F451 HydrophobicContact CB-CD2 3.93Å; I449-F451 HydrophobicContact CB-CE2 3.45Å; I449-F451 VanDerWaalsContact CB-CE2 3.45Å; I449-F451 HydrophobicContact CB-CZ 4.34Å; I449-F451 HydrophobicContact CD1-CE2 4.43Å; I449-F451 HydrophobicContact CG2-CD2 3.44Å; I449-F451 VanDerWaalsContact CG2-CD2 3.44Å; I449-F451 HydrophobicContact CG2-CE2 3.1Å; I449-F451 HydrophobicContact CG2-CG 4.35Å; I449-F451 HydrophobicContact CG2-CZ 3.73Å
452	Y	50.3	Low	52.8	Low	139 Å²	139	69.9 Å²	69.9	55%	0.545	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.7	159.2	-80.3	-95.7	0	0	0	108.3	P417 Q440 C442 S454	P417-Y452 HydrophobicContact CG-CD1 4.24Å; P417-Y452 HydrophobicContact CG-CE1 4.16Å; Q440-Y452 PolarHBondContact N-O 3.07Å; C442-Y452 HydrophobicContact CB-CD2 4.13Å; Y452-S454 PolarHBondContact O-N 2.76Å
453	L	48.6	Very low	51.7	Low	19 Å²	19	70.5 Å²	70.5	10%	0.099	39%	0.39	C	S	.	.			trans	-74	111.3	170.7	-98.3	121.4	0	0	0	107.9	L416 F420 V439 M456	L416-L453 HydrophobicContact CD2-CD1 4.08Å; F420-L453 HydrophobicContact CD1-CB 3.91Å; F420-L453 HydrophobicContact CD1-CD1 3.85Å; F420-L453 HydrophobicContact CD2-CD1 4.04Å; F420-L453 HydrophobicContact CE1-CB 4.19Å; F420-L453 HydrophobicContact CE1-CD1 3.31Å; F420-L453 HydrophobicContact CE1-CG 4.35Å; F420-L453 HydrophobicContact CE2-CD1 3.55Å; F420-L453 HydrophobicContact CG-CB 4.12Å; F420-L453 HydrophobicContact CG-CD1 4.17Å; F420-L453 HydrophobicContact CZ-CD1 3.11Å; F420-L453 HydrophobicContact CZ-CG 4.43Å; V439-L453 HydrophobicContact CG1-CD1 4.34Å; V439-L453 HydrophobicContact CG1-CG 4.12Å; L453-M456 HydrophobicContact CD2-CG 3.54Å
454	S	46.3	Very low	50.6	Low	52 Å²	52	67.6 Å²	67.6	36%	0.364	38%	0.382	S	S	.	.	S	Bend	trans	-93.1	-27.8	169.4	-155.7	0	0	0	0	110.9	Q440 Y452	Q440-S454 VanDerWaalsContact OE1-CB 3.31Å; Y452-S454 PolarHBondContact O-N 2.76Å
455	F	43.8	Very low	49.4	Very low	119 Å²	119	70.2 Å²	70.2	52%	0.522	40%	0.396	S	S	.	.			trans	-143.2	119.6	-176.6	-74	-84.8	0	0	0	111.9
456	M	39.1	Very low	48.2	Very low	60 Å²	60	72.4 Å²	72.4	30%	0.296	41%	0.41	S	S	.	.			trans	-90.8	106.2	168.2	-76.2	-159	89.8	0	0	110.2	K429 I431 L453	K429-M456 HydrophobicContact CB-CE 3.96Å; K429-M456 HydrophobicContact CB-SD 4Å; I431-M456 HydrophobicContact CG2-CE 3.37Å; L453-M456 HydrophobicContact CD2-CG 3.54Å
457	T	39.5	Very low	47.3	Very low	84 Å²	84	72.1 Å²	72.1	52%	0.515	39%	0.392	S	S	.	.			trans	-117.4	116.4	145.5	41.5	0	0	0	0	106.8	V459	T457-V459 PolarHBondContact O-N 3.09Å
458	A	37.6	Very low	46.7	Very low	76 Å²	76	67.5 Å²	67.5	63%	0.628	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-67	121.9	163.8	0	0	0	0	0	106.2
459	V	42.7	Very low	45.9	Very low	168 Å²	168	69.7 Å²	69.7	100%	1.018	39%	0.386	S	S	*	.			trans	-91.5	0	177	-177.3	0	0	0	0	109.3	T457	T457-V459 PolarHBondContact O-N 3.09Å

Retrieved 459 of 459 residues in 873.2 ms (Link to these results)

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