A0A3Q0KKP9_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 704 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	46.6	Very low	46.2	Very low	186 Å²	186	114.7 Å²	114.7	92%	0.916	62%	0.618	S	S	*	*				0	-43.7	0	-92.1	-168.8	93.8	0	0	113.5	C3 I4 L5	M1-C3 PolarHBondContact O-N 3.08Å; M1-I4 PolarHBondContact O-N 3.21Å; M1-I4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.17Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2	T	43.3	Very low	45.8	Very low	111 Å²	111	107.9 Å²	107.9	68%	0.681	60%	0.595	S	S	*	*	H	α-helix	trans	-56.1	-41	179.2	25.8	0	0	0	0	114.3	I4 L5 L6	T2-I4 VanDerWaalsContact C-N 3.34Å; T2-I4 PolarHBondContact O-N 2.81Å; T2-L5 PolarHBondContact O-N 3.05Å; T2-L6 WeakPolarHBondContact O-CB 3.38Å; T2-L6 PolarHBondContact O-N 3.14Å
3	C	39.1	Very low	46.1	Very low	98 Å²	98	108.1 Å²	108.1	66%	0.662	59%	0.593	S	S	*	*	H	α-helix	trans	-65.3	-33.5	175.9	-67.7	0	0	0	0	113.7	M1 L6 L7	M1-C3 PolarHBondContact O-N 3.08Å; C3-L6 PolarHBondContact O-N 2.74Å; C3-L7 WeakPolarHBondContact O-CB 3.35Å; C3-L7 PolarHBondContact O-N 2.94Å
4	I	48	Very low	46.2	Very low	120 Å²	120	106.4 Å²	106.4	62%	0.615	58%	0.581	S	S	*	*	H	α-helix	trans	-73.1	-39.2	179.6	-63.1	172.1	0	0	0	110.4	M1 T2 L7 T8	M1-I4 PolarHBondContact O-N 3.21Å; M1-I4 VanDerWaalsContact O-N 3.14Å; T2-I4 VanDerWaalsContact C-N 3.34Å; T2-I4 PolarHBondContact O-N 2.81Å; I4-L7 PolarHBondContact O-N 3.38Å; I4-T8 PolarHBondContact O-N 2.97Å; I4-T8 PolarHBondContact O-OG1 2.77Å
5	L	41.1	Very low	46	Very low	96 Å²	96	104.7 Å²	104.7	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-66.7	-34.5	173.6	-94.6	152.1	0	0	0	112.9	M1 T2 T8 K9	M1-L5 PolarHBondContact O-N 3.17Å; M1-L5 VanDerWaalsContact O-N 3.16Å; T2-L5 PolarHBondContact O-N 3.05Å; L5-T8 WeakPolarHBondContact CA-OG1 3.41Å; L5-T8 PolarHBondContact O-OG1 2.71Å; L5-K9 WeakPolarHBondContact O-CB 3.17Å; L5-K9 WeakPolarHBondContact O-CG 3.43Å; L5-K9 PolarHBondContact O-N 3.38Å; L5-K9 VanDerWaalsContact O-N 3.14Å
6	L	47	Very low	45.7	Very low	114 Å²	114	106.1 Å²	106.1	60%	0.597	58%	0.581	S	S	*	*	H	α-helix	trans	-68.2	-43	172.1	-100.7	146.5	0	0	0	111.3	T2 C3 K9 L10	T2-L6 WeakPolarHBondContact O-CB 3.38Å; T2-L6 PolarHBondContact O-N 3.14Å; C3-L6 PolarHBondContact O-N 2.74Å; L6-K9 PolarHBondContact O-N 2.97Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 2.86Å
7	L	46.4	Very low	45.7	Very low	123 Å²	123	108.5 Å²	108.5	64%	0.644	58%	0.584	S	S	*	*	H	α-helix	trans	-64	-43.5	178.2	-133.7	101.4	0	0	0	112.1	C3 I4 L10 V11	C3-L7 WeakPolarHBondContact O-CB 3.35Å; C3-L7 PolarHBondContact O-N 2.94Å; I4-L7 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-V11 WeakPolarHBondContact O-CB 3.46Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.8Å
8	T	51.8	Low	45.5	Very low	85 Å²	85	105.9 Å²	105.9	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-67.7	-36.6	177.6	47.6	0	0	0	0	112.5	I4 L5 G12	I4-T8 PolarHBondContact O-N 2.97Å; I4-T8 PolarHBondContact O-OG1 2.77Å; L5-T8 WeakPolarHBondContact CA-OG1 3.41Å; L5-T8 PolarHBondContact O-OG1 2.71Å; T8-G12 PolarHBondContact O-N 3.35Å
9	K	48.9	Very low	45.5	Very low	145 Å²	145	104.3 Å²	104.3	63%	0.63	57%	0.567	S	S	*	*	H	α-helix	trans	-65.3	-41.5	170.9	-80.1	-175	175.7	-175.9	0	112.2	L5 L6 G12 I13	L5-K9 WeakPolarHBondContact O-CB 3.17Å; L5-K9 WeakPolarHBondContact O-CG 3.43Å; L5-K9 PolarHBondContact O-N 3.38Å; L5-K9 VanDerWaalsContact O-N 3.14Å; L6-K9 PolarHBondContact O-N 2.97Å; K9-G12 PolarHBondContact O-N 3.18Å; K9-I13 WeakPolarHBondContact O-CB 3.43Å; K9-I13 WeakPolarHBondContact O-CD1 3.19Å; K9-I13 VanDerWaalsContact O-CG1 3.22Å; K9-I13 WeakPolarHBondContact O-CG1 3.34Å; K9-I13 PolarHBondContact O-N 2.75Å
10	L	48.1	Very low	45.5	Very low	104 Å²	104	102.3 Å²	102.3	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-67.2	-44.6	179.9	-143.8	115.3	0	0	0	111.4	L6 L7 G12 I13 I14	L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 2.86Å; L7-L10 PolarHBondContact O-N 3.36Å; L10-G12 VanDerWaalsContact C-N 3.35Å; L10-I13 PolarHBondContact O-N 3.45Å; L10-I14 HydrophobicContact CD2-CD1 3.85Å; L10-I14 WeakPolarHBondContact O-CB 3.2Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 2.88Å
11	V	47.9	Very low	45.6	Very low	80 Å²	80	102 Å²	102	49%	0.485	56%	0.559	S	S	.	*	H	α-helix	trans	-61.7	-43	172.9	172.6	0	0	0	0	110.5	L7 I13 I14 V15	L7-V11 WeakPolarHBondContact O-CB 3.46Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.8Å; V11-I13 PolarHBondContact O-N 2.88Å; V11-I14 PolarHBondContact O-N 2.66Å; V11-V15 HydrophobicContact CG1-CG2 4.22Å; V11-V15 WeakPolarHBondContact O-CB 3.26Å; V11-V15 WeakPolarHBondContact O-CG2 3.45Å; V11-V15 PolarHBondContact O-N 2.8Å
12	G	41	Very low	45.3	Very low	33 Å²	33	97.3 Å²	97.3	34%	0.34	53%	0.533	S	S	.	.	H	α-helix	trans	-60.6	-43.2	175.7	0	0	0	0	0	113.3	T8 K9 L10 L16	T8-G12 PolarHBondContact O-N 3.35Å; K9-G12 PolarHBondContact O-N 3.18Å; L10-G12 VanDerWaalsContact C-N 3.35Å; G12-L16 WeakPolarHBondContact O-CB 3.35Å; G12-L16 PolarHBondContact O-N 2.88Å
13	I	49.8	Very low	45.5	Very low	110 Å²	110	97.1 Å²	97.1	56%	0.564	53%	0.528	S	S	*	.	H	α-helix	trans	-68.6	-41.9	177.6	-68.6	163.8	0	0	0	111.1	K9 L10 V11 L16 K17	K9-I13 WeakPolarHBondContact O-CB 3.43Å; K9-I13 WeakPolarHBondContact O-CD1 3.19Å; K9-I13 VanDerWaalsContact O-CG1 3.22Å; K9-I13 WeakPolarHBondContact O-CG1 3.34Å; K9-I13 PolarHBondContact O-N 2.75Å; L10-I13 PolarHBondContact O-N 3.45Å; V11-I13 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 2.79Å; I13-K17 VanDerWaalsContact O-CB 3.25Å; I13-K17 WeakPolarHBondContact O-CB 3.49Å; I13-K17 PolarHBondContact O-N 2.92Å
14	I	47.3	Very low	45.9	Very low	84 Å²	84	100.5 Å²	100.5	43%	0.431	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-46.3	176.2	-68.9	166.6	0	0	0	109.8	L10 V11 L16 K17 V18	L10-I14 HydrophobicContact CD2-CD1 3.85Å; L10-I14 WeakPolarHBondContact O-CB 3.2Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 2.88Å; V11-I14 PolarHBondContact O-N 2.66Å; I14-L16 PolarHBondContact O-N 3.24Å; I14-K17 PolarHBondContact O-N 2.82Å; I14-V18 HydrophobicContact CG2-CG2 4.09Å; I14-V18 WeakPolarHBondContact O-CB 3.38Å; I14-V18 WeakPolarHBondContact O-CG2 3.34Å; I14-V18 PolarHBondContact O-N 3.38Å
15	V	43.5	Very low	45.9	Very low	81 Å²	81	98.5 Å²	98.5	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-43.6	176.1	171.9	0	0	0	0	110.7	V11 T19	V11-V15 HydrophobicContact CG1-CG2 4.22Å; V11-V15 WeakPolarHBondContact O-CB 3.26Å; V11-V15 WeakPolarHBondContact O-CG2 3.45Å; V11-V15 PolarHBondContact O-N 2.8Å; V15-T19 HydrophobicContact CG1-CG2 4.32Å; V15-T19 VanDerWaalsContact O-CB 3.26Å; V15-T19 WeakPolarHBondContact O-CB 3.39Å; V15-T19 WeakPolarHBondContact O-CG2 3.15Å; V15-T19 PolarHBondContact O-N 2.87Å; V15-T19 PolarHBondContact O-OG1 3.07Å
16	L	42.3	Very low	46.1	Very low	128 Å²	128	96.1 Å²	96.1	67%	0.67	51%	0.507	S	S	*	.	H	α-helix	trans	-65.5	-40	177.8	-116.5	116.3	0	0	0	113.4	G12 I13 I14 T19 S20	G12-L16 WeakPolarHBondContact O-CB 3.35Å; G12-L16 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 2.79Å; I14-L16 PolarHBondContact O-N 3.24Å; L16-T19 VanDerWaalsContact CA-OG1 3.27Å; L16-T19 WeakPolarHBondContact CA-OG1 3.41Å; L16-T19 PolarHBondContact O-OG1 3.21Å; L16-S20 WeakPolarHBondContact O-CB 3.31Å; L16-S20 PolarHBondContact O-N 3.49Å
17	K	44.2	Very low	46.2	Very low	146 Å²	146	95 Å²	95	64%	0.635	50%	0.501	S	S	*	.	H	α-helix	trans	-76.5	-35.6	-178.5	-155.6	169.7	-174.4	179.7	0	111.8	I13 I14 S20 N21	I13-K17 VanDerWaalsContact O-CB 3.25Å; I13-K17 WeakPolarHBondContact O-CB 3.49Å; I13-K17 PolarHBondContact O-N 2.92Å; I14-K17 PolarHBondContact O-N 2.82Å; K17-S20 PolarHBondContact O-OG 3.29Å; K17-N21 WeakPolarHBondContact O-CB 3.11Å; K17-N21 PolarHBondContact O-N 3.17Å; K17-N21 VanDerWaalsContact O-N 3.15Å
18	V	42.8	Very low	46.3	Very low	63 Å²	63	91.3 Å²	91.3	38%	0.382	49%	0.485	S	S	.	.	H	α-helix	trans	-68.3	-43.9	172.2	172.3	0	0	0	0	110	I14 F22	I14-V18 HydrophobicContact CG2-CG2 4.09Å; I14-V18 WeakPolarHBondContact O-CB 3.38Å; I14-V18 WeakPolarHBondContact O-CG2 3.34Å; I14-V18 PolarHBondContact O-N 3.38Å; V18-F22 WeakPolarHBondContact O-CB 3.37Å; V18-F22 PolarHBondContact O-N 3.46Å
19	T	45	Very low	45.9	Very low	74 Å²	74	89.1 Å²	89.1	45%	0.454	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-35	176.9	50.1	0	0	0	0	113.4	V15 L16 L23	V15-T19 HydrophobicContact CG1-CG2 4.32Å; V15-T19 VanDerWaalsContact O-CB 3.26Å; V15-T19 WeakPolarHBondContact O-CB 3.39Å; V15-T19 WeakPolarHBondContact O-CG2 3.15Å; V15-T19 PolarHBondContact O-N 2.87Å; V15-T19 PolarHBondContact O-OG1 3.07Å; L16-T19 VanDerWaalsContact CA-OG1 3.27Å; L16-T19 WeakPolarHBondContact CA-OG1 3.41Å; L16-T19 PolarHBondContact O-OG1 3.21Å; T19-L23 WeakPolarHBondContact O-CB 3.5Å; T19-L23 PolarHBondContact O-N 3.01Å
20	S	45.5	Very low	45.8	Very low	65 Å²	65	86.7 Å²	86.7	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-71.1	-41.5	176.3	85.2	0	0	0	0	112.4	L16 K17 L23 Y24	L16-S20 WeakPolarHBondContact O-CB 3.31Å; L16-S20 PolarHBondContact O-N 3.49Å; K17-S20 PolarHBondContact O-OG 3.29Å; S20-L23 PolarHBondContact O-N 3.01Å; S20-Y24 WeakPolarHBondContact O-CB 3.43Å; S20-Y24 PolarHBondContact O-N 3.25Å
21	N	48.5	Very low	45.6	Very low	95 Å²	95	90.2 Å²	90.2	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-67.3	-39	173.5	-79.1	-12.9	0	0	0	111.4	K17 Y24 I25	K17-N21 WeakPolarHBondContact O-CB 3.11Å; K17-N21 PolarHBondContact O-N 3.17Å; K17-N21 VanDerWaalsContact O-N 3.15Å; N21-Y24 PolarHBondContact O-N 3.28Å; N21-I25 WeakPolarHBondContact O-CB 3.35Å; N21-I25 VanDerWaalsContact O-CG1 3.25Å; N21-I25 WeakPolarHBondContact O-CG1 3.22Å; N21-I25 PolarHBondContact O-N 3.13Å
22	F	40.8	Very low	45.4	Very low	88 Å²	88	94.1 Å²	94.1	39%	0.386	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-45.4	174.3	-174.6	-95.5	0	0	0	111.2	V18 Y24 I25 V26 L668	V18-F22 WeakPolarHBondContact O-CB 3.37Å; V18-F22 PolarHBondContact O-N 3.46Å; F22-Y24 PolarHBondContact O-N 2.72Å; F22-I25 PolarHBondContact O-N 3.19Å; F22-V26 HydrophobicContact CD1-CG2 4.15Å; F22-V26 HydrophobicContact CE1-CG2 3.96Å; F22-V26 HydrophobicContact CE2-CG2 4.48Å; F22-V26 HydrophobicContact CG-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 4.14Å; F22-V26 VanDerWaalsContact O-CB 3.29Å; F22-V26 WeakPolarHBondContact O-CB 3.41Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.38Å; F22-L668 HydrophobicContact CD2-CD2 4.06Å; F22-L668 HydrophobicContact CE2-CD2 3.67Å
23	L	45.9	Very low	45.3	Very low	107 Å²	107	95.6 Å²	95.6	56%	0.56	48%	0.478	S	S	*	.	H	α-helix	trans	-63.8	-41.3	176.5	-165.6	76.4	0	0	0	111.2	T19 S20 I27	T19-L23 WeakPolarHBondContact O-CB 3.5Å; T19-L23 PolarHBondContact O-N 3.01Å; S20-L23 PolarHBondContact O-N 3.01Å; L23-I27 HydrophobicContact CD1-CD1 4.33Å; L23-I27 HydrophobicContact CD2-CD1 4.2Å; L23-I27 HydrophobicContact CG-CD1 3.73Å; L23-I27 HydrophobicContact CG-CG1 4.42Å; L23-I27 VanDerWaalsContact O-CB 3.22Å; L23-I27 WeakPolarHBondContact O-CB 3.23Å; L23-I27 WeakPolarHBondContact O-CD1 3.5Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 2.94Å
24	Y	48.9	Very low	44.9	Very low	170 Å²	170	97.1 Å²	97.1	67%	0.667	48%	0.478	S	S	*	.	H	α-helix	trans	-64.9	-44.5	177.6	-175.1	-95.3	0	0	0	112.6	S20 N21 F22 S28	S20-Y24 WeakPolarHBondContact O-CB 3.43Å; S20-Y24 PolarHBondContact O-N 3.25Å; N21-Y24 PolarHBondContact O-N 3.28Å; F22-Y24 PolarHBondContact O-N 2.72Å; Y24-S28 VanDerWaalsContact O-CB 3.23Å; Y24-S28 WeakPolarHBondContact O-CB 3.36Å; Y24-S28 PolarHBondContact O-N 3.44Å
25	I	46.6	Very low	44.5	Very low	77 Å²	77	97.2 Å²	97.2	40%	0.395	48%	0.479	S	S	.	.	H	α-helix	trans	-67	-46.1	178.6	-67.3	166.4	0	0	0	110.5	N21 F22 I27 S28 C29	N21-I25 WeakPolarHBondContact O-CB 3.35Å; N21-I25 VanDerWaalsContact O-CG1 3.25Å; N21-I25 WeakPolarHBondContact O-CG1 3.22Å; N21-I25 PolarHBondContact O-N 3.13Å; F22-I25 PolarHBondContact O-N 3.19Å; I25-I27 PolarHBondContact O-N 2.93Å; I25-S28 PolarHBondContact O-N 3.47Å; I25-C29 WeakPolarHBondContact O-CB 3.39Å; I25-C29 PolarHBondContact O-N 2.93Å; I25-C29 PolarHBondContact O-SG 3.31Å
26	V	45.8	Very low	44.3	Very low	46 Å²	46	96.1 Å²	96.1	28%	0.279	48%	0.484	S	S	.	.	H	α-helix	trans	-61.4	-45.7	177.1	171.9	0	0	0	0	110.8	F22 S28 C29 F30	F22-V26 HydrophobicContact CD1-CG2 4.15Å; F22-V26 HydrophobicContact CE1-CG2 3.96Å; F22-V26 HydrophobicContact CE2-CG2 4.48Å; F22-V26 HydrophobicContact CG-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 4.14Å; F22-V26 VanDerWaalsContact O-CB 3.29Å; F22-V26 WeakPolarHBondContact O-CB 3.41Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.38Å; V26-S28 PolarHBondContact O-N 3.2Å; V26-C29 PolarHBondContact O-N 3.07Å; V26-F30 HydrophobicContact CG1-CD2 3.78Å; V26-F30 HydrophobicContact CG1-CE2 4.07Å; V26-F30 WeakPolarHBondContact O-CB 3.25Å; V26-F30 WeakPolarHBondContact O-CD2 3.12Å; V26-F30 PolarHBondContact O-N 3.37Å
27	I	50.2	Low	43.9	Very low	92 Å²	92	93.6 Å²	93.6	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176	-70.8	170.1	0	0	0	111.2	L23 I25 R31	L23-I27 HydrophobicContact CD1-CD1 4.33Å; L23-I27 HydrophobicContact CD2-CD1 4.2Å; L23-I27 HydrophobicContact CG-CD1 3.73Å; L23-I27 HydrophobicContact CG-CG1 4.42Å; L23-I27 VanDerWaalsContact O-CB 3.22Å; L23-I27 WeakPolarHBondContact O-CB 3.23Å; L23-I27 WeakPolarHBondContact O-CD1 3.5Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 2.94Å; I25-I27 PolarHBondContact O-N 2.93Å; I27-R31 WeakPolarHBondContact O-CB 3.39Å; I27-R31 PolarHBondContact O-N 3.08Å
28	S	46.7	Very low	43.5	Very low	45 Å²	45	93.8 Å²	93.8	32%	0.315	47%	0.472	S	S	.	.	H	α-helix	trans	-66.5	-42.8	179.5	-170.3	0	0	0	0	112.1	Y24 I25 V26 R31 K32	Y24-S28 VanDerWaalsContact O-CB 3.23Å; Y24-S28 WeakPolarHBondContact O-CB 3.36Å; Y24-S28 PolarHBondContact O-N 3.44Å; I25-S28 PolarHBondContact O-N 3.47Å; V26-S28 PolarHBondContact O-N 3.2Å; S28-R31 PolarHBondContact O-N 3.17Å; S28-K32 WeakPolarHBondContact O-CG 3.12Å; S28-K32 PolarHBondContact O-N 2.79Å
29	C	44.1	Very low	43.2	Very low	39 Å²	39	99.5 Å²	99.5	26%	0.264	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-47.2	174.3	-73.9	0	0	0	0	111.8	I25 V26 R31 K32 I33 L672	I25-C29 WeakPolarHBondContact O-CB 3.39Å; I25-C29 PolarHBondContact O-N 2.93Å; I25-C29 PolarHBondContact O-SG 3.31Å; V26-C29 PolarHBondContact O-N 3.07Å; C29-R31 VanDerWaalsContact C-N 3.35Å; C29-R31 PolarHBondContact O-N 2.7Å; C29-K32 PolarHBondContact O-N 3.34Å; C29-I33 WeakPolarHBondContact O-CG1 3.07Å; C29-I33 PolarHBondContact O-N 2.84Å; C29-L672 HydrophobicContact CB-CD2 4.3Å
30	F	47.9	Very low	42.4	Very low	93 Å²	93	97 Å²	97	41%	0.408	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-39.9	175.2	-96.8	-85.8	0	0	0	112.1	V26 K32 I33 Y34 I675	V26-F30 HydrophobicContact CG1-CD2 3.78Å; V26-F30 HydrophobicContact CG1-CE2 4.07Å; V26-F30 WeakPolarHBondContact O-CB 3.25Å; V26-F30 WeakPolarHBondContact O-CD2 3.12Å; V26-F30 PolarHBondContact O-N 3.37Å; F30-K32 VanDerWaalsContact C-N 3.35Å; F30-K32 PolarHBondContact O-N 2.8Å; F30-I33 PolarHBondContact O-N 3.25Å; F30-Y34 WeakPolarHBondContact O-CB 3.18Å; F30-Y34 PolarHBondContact O-N 3.14Å; F30-I675 HydrophobicContact CZ-CG2 4.48Å
31	R	44.1	Very low	41.6	Very low	178 Å²	178	98.4 Å²	98.4	67%	0.672	49%	0.485	S	S	*	.	H	α-helix	trans	-65.8	-37	178.3	-168.5	175	-176	174.3	-0.2	111.6	I27 S28 C29 N35	I27-R31 WeakPolarHBondContact O-CB 3.39Å; I27-R31 PolarHBondContact O-N 3.08Å; S28-R31 PolarHBondContact O-N 3.17Å; C29-R31 VanDerWaalsContact C-N 3.35Å; C29-R31 PolarHBondContact O-N 2.7Å; R31-N35 WeakPolarHBondContact O-CB 3.25Å; R31-N35 PolarHBondContact O-N 3.42Å; R31-N35 PolarHBondContact O-ND2 3.19Å; R31-N35 PolarHBondContact O-OD1 3.35Å
32	K	42	Very low	40.6	Very low	162 Å²	162	99.6 Å²	99.6	70%	0.704	50%	0.498	S	S	*	.	H	α-helix	trans	-69.7	-42.1	174.4	-77.7	-178.8	177.6	-179.2	0	112.6	S28 C29 F30 G36	S28-K32 WeakPolarHBondContact O-CG 3.12Å; S28-K32 PolarHBondContact O-N 2.79Å; C29-K32 PolarHBondContact O-N 3.34Å; F30-K32 VanDerWaalsContact C-N 3.35Å; F30-K32 PolarHBondContact O-N 2.8Å; K32-G36 PolarHBondContact O-N 3.5Å
33	I	39.6	Very low	39.8	Very low	65 Å²	65	103.3 Å²	103.3	33%	0.333	52%	0.521	S	S	.	.	H	α-helix	trans	-67.8	-44.3	176.6	-65.8	167.2	0	0	0	111	C29 F30 G36 L37 L679	C29-I33 WeakPolarHBondContact O-CG1 3.07Å; C29-I33 PolarHBondContact O-N 2.84Å; F30-I33 PolarHBondContact O-N 3.25Å; I33-G36 PolarHBondContact O-N 3.43Å; I33-L37 HydrophobicContact CG2-CD1 3.9Å; I33-L37 PolarHBondContact O-N 2.74Å; I33-L679 HydrophobicContact CG2-CD1 4.22Å
34	Y	40.7	Very low	38.7	Very low	141 Å²	141	107 Å²	107	55%	0.553	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-39.9	177.8	-174.5	-98.4	0	0	0	112.6	F30 G36 L37 K38	F30-Y34 WeakPolarHBondContact O-CB 3.18Å; F30-Y34 PolarHBondContact O-N 3.14Å; Y34-G36 VanDerWaalsContact C-N 3.32Å; Y34-G36 PolarHBondContact O-N 2.93Å; Y34-L37 PolarHBondContact O-N 3.21Å; Y34-L37 VanDerWaalsContact O-N 3.17Å; Y34-K38 HydrophobicContact CE1-CD 4.07Å; Y34-K38 WeakPolarHBondContact O-CB 3.29Å; Y34-K38 PolarHBondContact O-N 2.82Å
35	N	40.5	Very low	37.6	Very low	86 Å²	86	110.7 Å²	110.7	46%	0.46	55%	0.545	S	S	.	.	H	α-helix	trans	-64.6	-35.2	174.5	-75.6	-10.6	0	0	0	112.1	R31 L37	R31-N35 WeakPolarHBondContact O-CB 3.25Å; R31-N35 PolarHBondContact O-N 3.42Å; R31-N35 PolarHBondContact O-ND2 3.19Å; R31-N35 PolarHBondContact O-OD1 3.35Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.15Å
36	G	37.6	Very low	36.6	Very low	58 Å²	58	113.6 Å²	113.6	60%	0.598	56%	0.562	S	S	*	*	H	α-helix	trans	-69	-23.9	172.8	0	0	0	0	0	114.5	K32 I33 Y34	K32-G36 PolarHBondContact O-N 3.5Å; I33-G36 PolarHBondContact O-N 3.43Å; Y34-G36 VanDerWaalsContact C-N 3.32Å; Y34-G36 PolarHBondContact O-N 2.93Å
37	L	35.7	Very low	35.7	Very low	75 Å²	75	121.7 Å²	121.7	39%	0.393	59%	0.593	S	S	.	*	H	α-helix	trans	-90.3	-22.2	178.8	-74.2	158.9	0	0	0	113.4	I33 Y34 N35 L190	I33-L37 HydrophobicContact CG2-CD1 3.9Å; I33-L37 PolarHBondContact O-N 2.74Å; Y34-L37 PolarHBondContact O-N 3.21Å; Y34-L37 VanDerWaalsContact O-N 3.17Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.15Å; L37-L190 HydrophobicContact CD1-CD2 4.07Å; L37-L190 HydrophobicContact CD2-CD1 3.62Å; L37-L190 HydrophobicContact CD2-CD2 3.86Å; L37-L190 HydrophobicContact CD2-CG 4.4Å
38	K	35.7	Very low	34.6	Very low	151 Å²	151	126.4 Å²	126.4	66%	0.657	61%	0.613	S	S	*	*	H	α-helix	trans	-78.1	-18.2	-175.3	-162.5	178	-179.2	-172.9	0	114.2	Y34 G40	Y34-K38 HydrophobicContact CE1-CD 4.07Å; Y34-K38 WeakPolarHBondContact O-CB 3.29Å; Y34-K38 PolarHBondContact O-N 2.82Å; K38-G40 PolarHBondContact O-N 2.7Å; K38-G40 VanDerWaalsContact O-N 3.15Å
39	E	35.3	Very low	33.7	Very low	183 Å²	183	127.2 Å²	127.2	86%	0.855	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	16.1	179.7	-66.9	-177.9	168.4	0	0	113.8
40	G	29.4	Very low	32.9	Very low	20 Å²	20	132.5 Å²	132.5	21%	0.206	65%	0.654	C	S	.	*	T	Hydrogen-bonded Turn	trans	-119.3	-7.5	-160.6	0	0	0	0	0	121.2	K38 K187	K38-G40 PolarHBondContact O-N 2.7Å; K38-G40 VanDerWaalsContact O-N 3.15Å; G40-K187 PolarHBondContact O-NZ 2.94Å
41	L	28.2	Very low	31.8	Very low	96 Å²	96	136 Å²	136	50%	0.503	67%	0.671	S	S	.	*			trans	-148.2	133.1	-165.7	-77.8	166	0	0	0	117.1	N189	L41-N189 HydrophobicContact CD1-CB 4.33Å; L41-N189 WeakPolarHBondContact CD1-OD1 3.42Å; L41-N189 WeakPolarHBondContact CD2-OD1 3.37Å
42	P	27.3	Very low	31	Very low	120 Å²	120	140 Å²	140	78%	0.779	69%	0.687	S	S	*	*			trans	-108.2	135.5	169	36.1	-26	0	0	0	116.2
43	L	23.9	Very low	30.2	Very low	165 Å²	165	135.5 Å²	135.5	86%	0.864	69%	0.686	S	S	*	*			trans	17.9	120.9	145.4	-65.2	159.7	0	0	0	125.9
44	K	23.7	Very low	29.8	Very low	185 Å²	185	138.5 Å²	138.5	80%	0.804	71%	0.71	S	S	*	*				34.9	138.6	122.9	-123.7	-179.6	-172.7	179.5	0	123.9
45	R	25.1	Very low	29.1	Very low	247 Å²	247	138.3 Å²	138.3	93%	0.932	72%	0.723	S	S	*	*				-173	142.9	124.1	-102.9	174.1	-171.9	176.4	3.2	113.9
46	N	24.8	Very low	28.4	Very low	139 Å²	139	139 Å²	139	74%	0.743	73%	0.734	S	S	*	*			trans	-92.3	163	172.3	-67.1	-13	0	0	0	110.8
47	F	28.1	Very low	28.1	Very low	215 Å²	215	140.7 Å²	140.7	94%	0.943	74%	0.737	S	S	*	*			trans	-160	150.2	139.2	-121.5	-85.5	0	0	0	113.1
48	H	25.8	Very low	28.2	Very low	192 Å²	192	140.5 Å²	140.5	89%	0.889	74%	0.739	S	S	*	*			trans	-85.8	169.7	-170.9	-107.4	-38.4	0	0	0	115.4
49	G	28.7	Very low	29.1	Very low	61 Å²	61	134.4 Å²	134.4	63%	0.629	72%	0.715	S	S	*	*			trans	110.2	144.9	157.4	0	0	0	0	0	113.9
50	D	27.1	Very low	30.4	Very low	151 Å²	151	130.5 Å²	130.5	81%	0.807	69%	0.693	S	S	*	*			cis	-158.4	149.6	-14.2	-100.2	-38.1	0	0	0	107.3
51	Q	25.5	Very low	32.2	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	68%	0.684	S	S	*	*			trans	18.9	137.7	156.6	-55.6	-179	-0.1	0	0	120.9
52	W	26.5	Very low	34.1	Very low	264 Å²	264	125.2 Å²	125.2	100%	1	66%	0.66	S	S	*	*				-161.5	134.1	123.3	-81.9	98.5	0	0	0	110.1
53	G	25.3	Very low	35.9	Very low	67 Å²	67	119.7 Å²	119.7	69%	0.691	62%	0.624	S	S	*	*			trans	-85.4	-172.5	-176.9	0	0	0	0	0	116
54	P	31	Very low	37.9	Very low	127 Å²	127	111.8 Å²	111.8	83%	0.825	58%	0.583	S	S	*	*			trans	-101.6	161.5	-140.9	38.5	-34.6	0	0	0	115.2
55	V	26	Very low	39.8	Very low	137 Å²	137	103.4 Å²	103.4	83%	0.83	55%	0.547	S	S	*	.			trans	-140.2	109.6	165.1	-176.6	0	0	0	0	110.5
56	S	26.1	Very low	41.7	Very low	100 Å²	100	91.8 Å²	91.8	70%	0.699	50%	0.503	S	S	*	.			trans	25.2	140.7	146.8	55	0	0	0	0	125
57	S	31.4	Very low	43.3	Very low	94 Å²	94	86.7 Å²	86.7	66%	0.657	48%	0.477	S	S	*	.			trans	72.7	98.6	164.7	64.4	0	0	0	0	117.9	S123	S57-S123 WeakPolarHBondContact O-CB 3.46Å
58	V	37.7	Very low	44.5	Very low	72 Å²	72	77.2 Å²	77.2	44%	0.436	44%	0.436	S	S	.	.			trans	-102	102.1	-177.9	-173.3	0	0	0	0	110.8	S123 N126	V58-S123 WeakPolarHBondContact CG1-OG 3.11Å; V58-N126 HydrophobicContact CG1-CB 3.82Å; V58-N126 WeakPolarHBondContact CG1-ND2 3.31Å
59	S	53.4	Low	45.6	Very low	22 Å²	22	69.8 Å²	69.8	15%	0.154	40%	0.402	C	S	.	.			trans	-82.2	124.6	167.8	11.1	0	0	0	0	110.5	V122 D258	S59-V122 WeakPolarHBondContact OG-CA 3.29Å; S59-D258 WeakPolarHBondContact CA-OD2 3.35Å
60	R	62.8	Low	46	Very low	102 Å²	102	71.4 Å²	71.4	39%	0.385	39%	0.393	S	S	.	.			trans	-88.4	133.5	-179.7	-54.7	-168.4	174.5	-176.3	-1.3	110.3	N126 N256 L257 D258 Y259	R60-N126 CarbonylContact C-O 3.54Å; R60-N126 VanDerWaalsContact CA-O 3.25Å; R60-N126 WeakPolarHBondContact CA-O 3.39Å; R60-N126 HydrophobicContact CB-CB 4.07Å; R60-N126 HydrophobicContact CG-CB 3.66Å; R60-N126 PolarHBondContact NE-ND2 2.87Å; R60-N256 VanDerWaalsContact CD-O 3.29Å; R60-N256 WeakPolarHBondContact CD-O 3.28Å; R60-L257 HydrophobicContact CB-CD2 3.95Å; R60-D258 PolarHBondContact N-OD2 2.7Å; R60-D258 WeakPolarHBondContact O-CA 3.32Å; R60-D258 WeakPolarHBondContact O-CB 3.43Å; R60-D258 PolarHBondContact O-N 3.46Å; R60-Y259 PolarHBondContact O-N 2.99Å
61	L	67.6	Low	46.3	Very low	4 Å²	4	66.1 Å²	66.1	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.3	-177.2	168.5	74.6	0	0	0	110.1	W110 N126 T127 D128 Y259 I261 I279	L61-W110 HydrophobicContact CD2-CH2 3.74Å; L61-W110 HydrophobicContact CD2-CZ3 4.03Å; L61-N126 PolarHBondContact N-O 3.44Å; L61-T127 HydrophobicContact CB-CG2 4.05Å; L61-T127 HydrophobicContact CD2-CG2 3.81Å; L61-T127 HydrophobicContact CG-CG2 4.45Å; L61-T127 CarbonylContact O-C 3.59Å; L61-T127 VanDerWaalsContact O-C 3.31Å; L61-T127 WeakPolarHBondContact O-CA 3.09Å; L61-D128 PolarHBondContact O-N 2.72Å; L61-Y259 CarbonylContact C-O 3.49Å; L61-Y259 WeakPolarHBondContact CA-O 3.23Å; L61-I261 HydrophobicContact CD1-CD1 4.27Å; L61-I261 HydrophobicContact CD1-CG1 4.34Å; L61-I279 HydrophobicContact CD1-CD1 3.56Å; L61-I279 HydrophobicContact CD1-CG1 4.18Å; L61-I279 HydrophobicContact CD2-CD1 3.46Å; L61-I279 VanDerWaalsContact CD2-CD1 3.46Å; L61-I279 HydrophobicContact CG-CD1 4.12Å
62	G	67.5	Low	46.8	Very low	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.6	168.5	0	0	0	0	0	112.1	D128 Y259 I260 I261	G62-D128 CarbonylContact C-O 3.48Å; G62-D128 VanDerWaalsContact CA-O 3.24Å; G62-D128 WeakPolarHBondContact CA-O 3.4Å; G62-Y259 PolarHBondContact N-O 3.03Å; G62-I260 CarbonylContact O-C 3.56Å; G62-I260 VanDerWaalsContact O-CA 3.29Å; G62-I260 WeakPolarHBondContact O-CA 3.23Å; G62-I261 PolarHBondContact O-N 3.11Å
63	V	66.1	Low	46.8	Very low	4 Å²	4	56.5 Å²	56.5	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.4	158.7	-173.5	0	0	0	0	108.1	I107 W110 D128 L129 I130 I261 I263	V63-I107 HydrophobicContact CG1-CD1 4.16Å; V63-I107 HydrophobicContact CG1-CG1 4.44Å; V63-I107 HydrophobicContact CG1-CG2 4.2Å; V63-W110 HydrophobicContact CG2-CZ3 3.82Å; V63-D128 PolarHBondContact N-O 3.05Å; V63-L129 HydrophobicContact CB-CD2 3.92Å; V63-L129 HydrophobicContact CG2-CD2 4.26Å; V63-I130 PolarHBondContact O-N 3.46Å; V63-I261 CarbonylContact C-O 3.54Å; V63-I261 VanDerWaalsContact CA-O 3.3Å; V63-I261 WeakPolarHBondContact CA-O 3.24Å; V63-I261 HydrophobicContact CG1-CB 4.46Å; V63-I261 HydrophobicContact CG2-CB 4.46Å; V63-I263 HydrophobicContact CG1-CD1 3.6Å; V63-I263 HydrophobicContact CG1-CG1 4.42Å
64	V	66	Low	47.2	Very low	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.7	175.7	-168.8	0	0	0	0	108.8	I66 I130 V132 A252 I260 I261 L262 I263	V64-I66 HydrophobicContact CG1-CG1 4.09Å; V64-I130 WeakPolarHBondContact CA-O 3.43Å; V64-I130 HydrophobicContact CG1-CG2 4.42Å; V64-I130 HydrophobicContact CG2-CB 4.15Å; V64-I130 HydrophobicContact CG2-CG2 4.46Å; V64-V132 HydrophobicContact CG1-CB 4.35Å; V64-V132 HydrophobicContact CG1-CG2 3.55Å; V64-A252 HydrophobicContact CG2-CB 3.9Å; V64-I260 HydrophobicContact CG2-CG2 3.75Å; V64-I261 PolarHBondContact N-O 3.39Å; V64-L262 HydrophobicContact CB-CD2 3.88Å; V64-L262 HydrophobicContact CB-CG 3.83Å; V64-L262 HydrophobicContact CG1-CD2 4.08Å; V64-L262 HydrophobicContact CG2-CD2 4.22Å; V64-L262 HydrophobicContact CG2-CG 4.14Å; V64-L262 VanDerWaalsContact O-CA 3.25Å; V64-L262 WeakPolarHBondContact O-CA 3.28Å; V64-I263 PolarHBondContact O-N 3.28Å
65	V	63.3	Low	47.1	Very low	8 Å²	8	62.4 Å²	62.4	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.8	168.4	-178.5	0	0	0	0	107.5	T67 I107 I130 L131 V132	V65-T67 HydrophobicContact CG1-CG2 4.06Å; V65-I107 HydrophobicContact CG2-CD1 3.19Å; V65-I130 PolarHBondContact N-O 3.33Å; V65-L131 HydrophobicContact CB-CD1 3.57Å; V65-L131 HydrophobicContact CG1-CD1 3.88Å; V65-L131 WeakPolarHBondContact O-CD1 3.37Å; V65-V132 PolarHBondContact O-N 2.92Å
66	I	64.7	Low	47.3	Very low	3 Å²	3	59 Å²	59	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.1	177.6	-61.4	169.9	0	0	0	106.8	V64 L244 L245 L262 I263 P265 W346	V64-I66 HydrophobicContact CG1-CG1 4.09Å; I66-L244 HydrophobicContact CG2-CB 4Å; I66-L244 HydrophobicContact CG2-CD1 4Å; I66-L245 HydrophobicContact CD1-CB 4.09Å; I66-L245 HydrophobicContact CD1-CD1 3.44Å; I66-L245 VanDerWaalsContact CD1-CD1 3.44Å; I66-L245 HydrophobicContact CD1-CG 4.38Å; I66-L262 HydrophobicContact CD1-CD2 3.79Å; I66-I263 PolarHBondContact N-O 3.16Å; I66-P265 WeakPolarHBondContact O-CD 3.22Å; I66-P265 WeakPolarHBondContact O-CG 3.23Å; I66-W346 HydrophobicContact CD1-CD2 4.19Å; I66-W346 HydrophobicContact CD1-CG 4.3Å
67	T	58.4	Low	47.9	Very low	32 Å²	32	63.5 Å²	63.5	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.7	172.6	55.7	0	0	0	0	108.7	V65 L131 V132 Y133 P265	V65-T67 HydrophobicContact CG1-CG2 4.06Å; T67-L131 HydrophobicContact CG2-CD1 4.43Å; T67-V132 PolarHBondContact N-O 2.95Å; T67-V132 VanDerWaalsContact N-O 3.15Å; T67-Y133 WeakPolarHBondContact OG1-CB 3.4Å; T67-P265 HydrophobicContact CG2-CG 4.45Å
68	H	54.1	Low	48.1	Very low	17 Å²	17	65.5 Å²	65.5	8%	0.079	34%	0.335	C	S	.	.			trans	-137.7	135.8	169.9	-160.4	-76.1	0	0	0	110.5	H70 E239 C241 L244	H68-H70 AromaticContact CE1-CD2 3.74Å; H68-H70 PolarHBondContact CE1-N 3.42Å; H68-H70 PolarHBondContact ND1-N 3.06Å; H68-E239 PolarHBondContact NE2-O 3.26Å; H68-C241 PolarHBondContact CE1-SG 3.02Å; H68-C241 PolarHBondContact ND1-SG 2.64Å; H68-L244 HydrophobicContact CB-CD1 3.97Å
69	H	48	Very low	47.9	Very low	36 Å²	36	71 Å²	71	17%	0.167	36%	0.356	C	S	.	.			trans	-144.3	112.7	151.4	-96.5	50.3	0	0	0	107.1	E96 R266	H69-E96 HydrophobicContact CB-CG 3.46Å; H69-E96 VanDerWaalsContact CB-CG 3.46Å; H69-E96 WeakPolarHBondContact CB-OE1 3.47Å; H69-E96 VanDerWaalsContact CB-OE2 3.3Å; H69-E96 WeakPolarHBondContact CB-OE2 3.32Å; H69-E96 WeakPolarHBondContact CD2-CG 3.39Å; H69-E96 IonicContact CD2-OE1 3.93Å; H69-E96 PolarHBondContact CD2-OE1 3.38Å; H69-E96 IonicContact CG-OE1 3.12Å; H69-E96 IonicContact CG-OE2 3.76Å; H69-E96 WeakPolarHBondContact ND1-CG 3.36Å; H69-E96 VanDerWaalsContact NE2-CG 3.29Å; H69-E96 WeakPolarHBondContact NE2-CG 3.3Å; H69-R266 PolarHBondContact CE1-NE 2.92Å
70	H	38.5	Very low	46.8	Very low	95 Å²	95	74.9 Å²	74.9	44%	0.44	38%	0.382	S	S	.	.			trans	-92.6	106.2	136.2	-106	-91.5	0	0	0	103	H68 Q72	H68-H70 AromaticContact CE1-CD2 3.74Å; H68-H70 PolarHBondContact CE1-N 3.42Å; H68-H70 PolarHBondContact ND1-N 3.06Å; H70-Q72 HydrophobicContact CB-CG 4.21Å; H70-Q72 PolarHBondContact O-N 3.08Å
71	I	32.8	Very low	45.4	Very low	39 Å²	39	75.2 Å²	75.2	20%	0.2	40%	0.4	C	S	.	.			trans	-74.4	94.5	143	-55.3	-152	0	0	0	102.6	S73 S86 L89 P92	I71-S73 PolarHBondContact O-N 3.26Å; I71-S86 VanDerWaalsContact CG2-CB 3.4Å; I71-L89 HydrophobicContact CD1-CD1 3.45Å; I71-L89 VanDerWaalsContact CD1-CD1 3.45Å; I71-P92 HydrophobicContact CB-CB 4.16Å; I71-P92 HydrophobicContact CB-CG 4.45Å; I71-P92 HydrophobicContact CD1-CB 3.37Å; I71-P92 HydrophobicContact CD1-CG 4.41Å; I71-P92 HydrophobicContact CG1-CB 3.63Å; I71-P92 HydrophobicContact CG1-CG 4.44Å
72	Q	34.7	Very low	43.9	Very low	114 Å²	114	79 Å²	79	53%	0.533	43%	0.427	S	S	.	.			trans	-57.1	108.7	171.4	-89.7	174.4	-11.8	0	0	106.7	H70 H74	H70-Q72 HydrophobicContact CB-CG 4.21Å; H70-Q72 PolarHBondContact O-N 3.08Å; Q72-H74 PolarHBondContact O-N 3.46Å; Q72-H74 PolarHBondContact OE1-CD2 3.48Å
73	S	28	Very low	42.6	Very low	114 Å²	114	83 Å²	83	80%	0.797	45%	0.448	S	S	*	.			trans	-70.4	67.9	155.4	60.3	0	0	0	0	107.1	I71 E75	I71-S73 PolarHBondContact O-N 3.26Å; S73-E75 PolarHBondContact O-N 3.29Å
74	H	33.2	Very low	41.4	Very low	134 Å²	134	87.6 Å²	87.6	62%	0.62	48%	0.476	S	S	*	.			trans	-74.8	107.4	155.2	-86.4	-62.9	0	0	0	104.9	Q72 P76	Q72-H74 PolarHBondContact O-N 3.46Å; Q72-H74 PolarHBondContact OE1-CD2 3.48Å; H74-P76 WeakPolarHBondContact O-CD 3.39Å; H74-P76 VanDerWaalsContact O-N 3.08Å
75	E	29.3	Very low	40.2	Very low	184 Å²	184	88.8 Å²	88.8	86%	0.86	48%	0.482	S	S	*	.			trans	-50.5	113.3	154.9	-74.4	-179.2	162.1	0	0	105.6	S73 E77	S73-E75 PolarHBondContact O-N 3.29Å; E75-E77 PolarHBondContact O-N 3.13Å
76	P	30.4	Very low	39.1	Very low	64 Å²	64	90.2 Å²	90.2	42%	0.416	49%	0.492	S	S	.	.			trans	-78.9	115	179.6	29.1	-23.6	0	0	0	106.2	H74 D78	H74-P76 WeakPolarHBondContact O-CD 3.39Å; H74-P76 VanDerWaalsContact O-N 3.08Å; P76-D78 PolarHBondContact O-N 2.8Å
77	E	38	Very low	38	Very low	196 Å²	196	97.5 Å²	97.5	92%	0.916	52%	0.52	S	S	*	.	S	Bend	trans	-63.4	-12.6	163.3	-71.7	-173.7	155.6	0	0	111.2	E75	E75-E77 PolarHBondContact O-N 3.13Å
78	D	36.5	Very low	37.2	Very low	135 Å²	135	98.5 Å²	98.5	72%	0.722	53%	0.528	S	S	*	.	S	Bend	trans	-119.4	117.4	-179.7	-71.6	-41.5	0	0	0	113.7	P76 C80	P76-D78 PolarHBondContact O-N 2.8Å; D78-C80 VanDerWaalsContact C-N 3.31Å; D78-C80 PolarHBondContact O-N 2.78Å
79	E	31.7	Very low	37.1	Very low	187 Å²	187	98.3 Å²	98.3	87%	0.874	53%	0.527	S	S	*	.			trans	-66.4	72.2	173.2	-67.2	-177.2	145.9	0	0	112.3
80	C	31	Very low	37.4	Very low	105 Å²	105	102 Å²	102	71%	0.709	54%	0.543	S	S	*	.	S	Bend	trans	-169.3	113.1	156.2	-107.4	0	0	0	0	114.4	D78	D78-C80 VanDerWaalsContact C-N 3.31Å; D78-C80 PolarHBondContact O-N 2.78Å
81	S	34.7	Very low	38.4	Very low	109 Å²	109	97.6 Å²	97.6	76%	0.762	52%	0.522	S	S	*	.	S	Bend	trans	81.2	11.5	145.1	72.6	0	0	0	0	123.2
82	S	34.1	Very low	39.5	Very low	83 Å²	83	97.3 Å²	97.3	58%	0.58	52%	0.523	S	S	*	.	S	Bend	trans	-140.4	123.2	162.5	60.9	0	0	0	0	109.3
83	D	41.8	Very low	40.5	Very low	84 Å²	84	93.5 Å²	93.5	45%	0.449	51%	0.509	S	S	.	.			cis	-133.4	120.7	5.5	-97.9	-30.3	0	0	0	106	I85 S86 R87	D83-I85 PolarHBondContact O-N 2.84Å; D83-S86 VanDerWaalsContact CB-OG 3.24Å; D83-S86 WeakPolarHBondContact CB-OG 3.45Å; D83-S86 PolarHBondContact O-N 2.88Å; D83-S86 PolarHBondContact O-OG 3.47Å; D83-R87 PolarHBondContact O-N 3.46Å
84	V	40.9	Very low	41.9	Very low	100 Å²	100	88.2 Å²	88.2	61%	0.606	47%	0.472	S	S	*	.	H	α-helix	trans	-61.1	-28.4	175.2	179.7	0	0	0	0	110.4	S88 P381	V84-S88 WeakPolarHBondContact O-CB 3.13Å; V84-S88 PolarHBondContact O-N 3.13Å; V84-S88 VanDerWaalsContact O-N 3.13Å; V84-S88 PolarHBondContact O-OG 3.24Å; V84-P381 HydrophobicContact CB-CG 4.38Å; V84-P381 HydrophobicContact CG1-CG 4.02Å
85	I	40.3	Very low	43.2	Very low	26 Å²	26	82.2 Å²	82.2	13%	0.133	44%	0.444	C	S	.	.	H	α-helix	trans	-71.2	-44.4	178.4	-61.9	160.1	0	0	0	112.8	D83 R87 S88 L89 S379 P381	D83-I85 PolarHBondContact O-N 2.84Å; I85-R87 PolarHBondContact O-N 3.1Å; I85-S88 CarbonylContact O-C 3.58Å; I85-S88 PolarHBondContact O-N 2.51Å; I85-L89 HydrophobicContact CG2-CD1 3.26Å; I85-L89 HydrophobicContact CG2-CG 3.87Å; I85-L89 WeakPolarHBondContact O-CB 3.4Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 3.3Å; I85-S379 WeakPolarHBondContact CD1-O 3.16Å; I85-P381 HydrophobicContact CB-CG 4.35Å; I85-P381 HydrophobicContact CG1-CB 4.39Å; I85-P381 HydrophobicContact CG1-CG 3.5Å
86	S	40.4	Very low	44.7	Very low	37 Å²	37	75.7 Å²	75.7	26%	0.259	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-34.2	-179.3	69.5	0	0	0	0	110.7	I71 D83 S88	I71-S86 VanDerWaalsContact CG2-CB 3.4Å; D83-S86 VanDerWaalsContact CB-OG 3.24Å; D83-S86 WeakPolarHBondContact CB-OG 3.45Å; D83-S86 PolarHBondContact O-N 2.88Å; D83-S86 PolarHBondContact O-OG 3.47Å; S86-S88 VanDerWaalsContact C-N 3.33Å
87	R	41	Very low	46.1	Very low	157 Å²	157	73.3 Å²	73.3	59%	0.592	40%	0.396	S	S	*	.	H	α-helix	trans	-70.4	-27	171.7	-65.5	-178.7	-174.8	162.3	0.5	113.2	D83 I85	D83-R87 PolarHBondContact O-N 3.46Å; I85-R87 PolarHBondContact O-N 3.1Å
88	S	42.8	Very low	47.3	Very low	53 Å²	53	64.1 Å²	64.1	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-91	-31.6	-177.4	-56.7	0	0	0	0	113.5	V84 I85 S86 K90	V84-S88 WeakPolarHBondContact O-CB 3.13Å; V84-S88 PolarHBondContact O-N 3.13Å; V84-S88 VanDerWaalsContact O-N 3.13Å; V84-S88 PolarHBondContact O-OG 3.24Å; I85-S88 CarbonylContact O-C 3.58Å; I85-S88 PolarHBondContact O-N 2.51Å; S86-S88 VanDerWaalsContact C-N 3.33Å; S88-K90 PolarHBondContact O-N 2.85Å
89	L	51.3	Low	48.7	Very low	13 Å²	13	58.1 Å²	58.1	7%	0.068	32%	0.321	C	S	.	.			trans	-83.4	98.7	179.5	-75.5	171	0	0	0	110.2	I71 I85 N91 F95 L384 L399	I71-L89 HydrophobicContact CD1-CD1 3.45Å; I71-L89 VanDerWaalsContact CD1-CD1 3.45Å; I85-L89 HydrophobicContact CG2-CD1 3.26Å; I85-L89 HydrophobicContact CG2-CG 3.87Å; I85-L89 WeakPolarHBondContact O-CB 3.4Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 3.3Å; L89-N91 VanDerWaalsContact C-N 3.27Å; L89-N91 PolarHBondContact O-N 2.93Å; L89-F95 HydrophobicContact CD2-CB 4.48Å; L89-F95 HydrophobicContact CD2-CG 4.46Å; L89-L384 HydrophobicContact CD2-CD2 4.41Å; L89-L399 HydrophobicContact CD2-CD2 3.14Å; L89-L399 HydrophobicContact CG-CD2 4.16Å
90	K	55.1	Low	50.2	Low	114 Å²	114	49.2 Å²	49.2	50%	0.496	28%	0.28	S	S	.	.	S	Bend	trans	-74.5	-19.5	172.4	-55.8	180	176.2	175.2	0	112.7	S88 L399 D401	S88-K90 PolarHBondContact O-N 2.85Å; K90-L399 WeakPolarHBondContact CB-O 3.4Å; K90-D401 HydrophobicContact CB-CB 3.77Å
91	N	57.6	Low	51.6	Low	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.247	C	C	.	.			trans	-135.2	74.5	177.9	-166.9	-9.2	0	0	0	113	L89 S93 L94	L89-N91 VanDerWaalsContact C-N 3.27Å; L89-N91 PolarHBondContact O-N 2.93Å; N91-S93 VanDerWaalsContact C-N 3.28Å; N91-S93 PolarHBondContact O-N 3.35Å; N91-S93 PolarHBondContact OD1-OG 3.06Å; N91-L94 PolarHBondContact O-N 2.82Å; N91-L94 PolarHBondContact OD1-N 2.8Å
92	P	56.4	Low	53.1	Low	33 Å²	33	41.5 Å²	41.5	21%	0.214	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-36.2	-179.9	26	-35.6	0	0	0	113.1	I71 L94 F95 E96	I71-P92 HydrophobicContact CB-CB 4.16Å; I71-P92 HydrophobicContact CB-CG 4.45Å; I71-P92 HydrophobicContact CD1-CB 3.37Å; I71-P92 HydrophobicContact CD1-CG 4.41Å; I71-P92 HydrophobicContact CG1-CB 3.63Å; I71-P92 HydrophobicContact CG1-CG 4.44Å; P92-L94 VanDerWaalsContact C-N 3.29Å; P92-L94 PolarHBondContact O-N 3.41Å; P92-F95 WeakPolarHBondContact O-CB 3.08Å; P92-F95 PolarHBondContact O-N 3.02Å; P92-F95 VanDerWaalsContact O-N 3.16Å; P92-E96 VanDerWaalsContact O-CD 3.3Å; P92-E96 VanDerWaalsContact O-CG 3.24Å; P92-E96 WeakPolarHBondContact O-CG 3.29Å; P92-E96 PolarHBondContact O-N 2.9Å; P92-E96 VanDerWaalsContact O-OE1 3.12Å
93	S	55.2	Low	54.5	Low	34 Å²	34	37.8 Å²	37.8	24%	0.238	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-31.9	-177.2	68.1	0	0	0	0	114.7	N91 R97 Q551	N91-S93 VanDerWaalsContact C-N 3.28Å; N91-S93 PolarHBondContact O-N 3.35Å; N91-S93 PolarHBondContact OD1-OG 3.06Å; S93-R97 WeakPolarHBondContact O-CB 3.43Å; S93-R97 PolarHBondContact O-N 2.78Å; S93-Q551 PolarHBondContact OG-NE2 2.81Å
94	L	58.8	Low	55.6	Low	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-78.1	-38.3	178.5	-173.5	138.2	0	0	0	111.1	N91 P92 R97 V98 V398 Y608	N91-L94 PolarHBondContact O-N 2.82Å; N91-L94 PolarHBondContact OD1-N 2.8Å; P92-L94 VanDerWaalsContact C-N 3.29Å; P92-L94 PolarHBondContact O-N 3.41Å; L94-R97 WeakPolarHBondContact O-CB 3.46Å; L94-R97 PolarHBondContact O-N 2.87Å; L94-V98 HydrophobicContact CD2-CG2 4.46Å; L94-V98 WeakPolarHBondContact O-CG2 2.95Å; L94-V98 PolarHBondContact O-N 2.99Å; L94-V398 HydrophobicContact CD2-CB 3.94Å; L94-V398 HydrophobicContact CD2-CG1 3.6Å; L94-V398 HydrophobicContact CD2-CG2 3.86Å; L94-Y608 HydrophobicContact CD1-CD1 3.53Å; L94-Y608 HydrophobicContact CD1-CD2 4.22Å; L94-Y608 HydrophobicContact CD1-CE1 3.16Å; L94-Y608 HydrophobicContact CD1-CE2 3.88Å; L94-Y608 HydrophobicContact CD1-CG 4.06Å
95	F	60.4	Low	56.6	Low	8 Å²	8	30.9 Å²	30.9	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-46.3	175.7	-178.5	-104.5	0	0	0	111.6	L89 P92 R97 V98 L99 V378 L384 V387 V398	L89-F95 HydrophobicContact CD2-CB 4.48Å; L89-F95 HydrophobicContact CD2-CG 4.46Å; P92-F95 WeakPolarHBondContact O-CB 3.08Å; P92-F95 PolarHBondContact O-N 3.02Å; P92-F95 VanDerWaalsContact O-N 3.16Å; F95-R97 VanDerWaalsContact C-N 3.29Å; F95-R97 PolarHBondContact O-N 2.99Å; F95-V98 PolarHBondContact O-N 2.92Å; F95-L99 HydrophobicContact CD1-CD1 3.84Å; F95-L99 HydrophobicContact CD1-CG 4.48Å; F95-L99 HydrophobicContact CE1-CD1 3.3Å; F95-L99 HydrophobicContact CE1-CG 4.12Å; F95-L99 HydrophobicContact CZ-CD1 3.73Å; F95-L99 HydrophobicContact CZ-CD2 4.44Å; F95-L99 HydrophobicContact CZ-CG 4.2Å; F95-L99 WeakPolarHBondContact O-CG 3.48Å; F95-L99 PolarHBondContact O-N 3.06Å; F95-V378 HydrophobicContact CE1-CB 4.3Å; F95-V378 HydrophobicContact CE1-CG1 3.76Å; F95-V378 HydrophobicContact CZ-CB 4.13Å; F95-V378 HydrophobicContact CZ-CG1 3.48Å; F95-V378 VanDerWaalsContact CZ-CG1 3.48Å; F95-V378 HydrophobicContact CZ-CG2 4Å; F95-L384 HydrophobicContact CD2-CD2 4.01Å; F95-L384 HydrophobicContact CE2-CD2 3.41Å; F95-L384 VanDerWaalsContact CE2-CD2 3.41Å; F95-L384 HydrophobicContact CZ-CD2 3.76Å; F95-V387 HydrophobicContact CE2-CB 4.15Å; F95-V387 HydrophobicContact CE2-CG1 3.81Å; F95-V387 HydrophobicContact CE2-CG2 3.85Å; F95-V387 HydrophobicContact CZ-CG1 4.49Å; F95-V387 HydrophobicContact CZ-CG2 3.81Å; F95-V398 HydrophobicContact CB-CG1 3.72Å; F95-V398 HydrophobicContact CD2-CG1 3.79Å; F95-V398 HydrophobicContact CG-CG1 4.26Å
96	E	60.3	Low	58	Low	48 Å²	48	31.2 Å²	31.2	22%	0.224	17%	0.167	C	C	.	.	H	α-helix	trans	-54.9	-44.4	171.7	-72.8	158.4	-144.8	0	0	113.6	H69 P92 V98 L99 G100	H69-E96 HydrophobicContact CB-CG 3.46Å; H69-E96 VanDerWaalsContact CB-CG 3.46Å; H69-E96 WeakPolarHBondContact CB-OE1 3.47Å; H69-E96 VanDerWaalsContact CB-OE2 3.3Å; H69-E96 WeakPolarHBondContact CB-OE2 3.32Å; H69-E96 WeakPolarHBondContact CD2-CG 3.39Å; H69-E96 IonicContact CD2-OE1 3.93Å; H69-E96 PolarHBondContact CD2-OE1 3.38Å; H69-E96 IonicContact CG-OE1 3.12Å; H69-E96 IonicContact CG-OE2 3.76Å; H69-E96 WeakPolarHBondContact ND1-CG 3.36Å; H69-E96 VanDerWaalsContact NE2-CG 3.29Å; H69-E96 WeakPolarHBondContact NE2-CG 3.3Å; P92-E96 VanDerWaalsContact O-CD 3.3Å; P92-E96 VanDerWaalsContact O-CG 3.24Å; P92-E96 WeakPolarHBondContact O-CG 3.29Å; P92-E96 PolarHBondContact O-N 2.9Å; P92-E96 VanDerWaalsContact O-OE1 3.12Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-L99 PolarHBondContact O-N 2.77Å; E96-G100 PolarHBondContact O-N 3.06Å
97	R	59.8	Low	59.3	Low	13 Å²	13	29.7 Å²	29.7	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-49.1	-179.6	178.6	173.5	180	175.8	-2.6	109.9	S93 L94 F95 L99 G100 E101 W146 L550 R552 V555 Y611	S93-R97 WeakPolarHBondContact O-CB 3.43Å; S93-R97 PolarHBondContact O-N 2.78Å; L94-R97 WeakPolarHBondContact O-CB 3.46Å; L94-R97 PolarHBondContact O-N 2.87Å; F95-R97 VanDerWaalsContact C-N 3.29Å; F95-R97 PolarHBondContact O-N 2.99Å; R97-L99 VanDerWaalsContact C-N 3.35Å; R97-L99 PolarHBondContact O-N 2.98Å; R97-G100 PolarHBondContact O-N 2.98Å; R97-E101 HydrophobicContact CG-CG 4.34Å; R97-E101 WeakPolarHBondContact CG-OE1 3.37Å; R97-E101 IonicContact CZ-OE1 2.67Å; R97-E101 IonicContact NE-OE1 3.08Å; R97-E101 PolarHBondContact NE-OE1 3.44Å; R97-E101 IonicContact NH2-OE1 2.78Å; R97-E101 VanDerWaalsContact O-CB 3.32Å; R97-E101 WeakPolarHBondContact O-CB 3.44Å; R97-E101 VanDerWaalsContact O-CG 3.23Å; R97-E101 WeakPolarHBondContact O-CG 3.31Å; R97-E101 PolarHBondContact O-N 2.83Å; R97-W146 HydrophobicContact CB-CH2 4.32Å; R97-W146 HydrophobicContact CB-CZ2 4.24Å; R97-W146 HydrophobicContact CG-CH2 4.04Å; R97-W146 HydrophobicContact CG-CZ2 3.91Å; R97-L550 PolarHBondContact NH1-O 2.69Å; R97-R552 PolarHBondContact NH1-O 2.72Å; R97-V555 PolarHBondContact NH2-O 2.75Å; R97-Y611 PolarHBondContact NE-OH 3.22Å; R97-Y611 VanDerWaalsContact NE-OH 3.07Å; R97-Y611 PolarHBondContact NH2-OH 3.06Å
98	V	63.1	Low	60.4	Low	3 Å²	3	24.2 Å²	24.2	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-44.4	177.1	173	0	0	0	0	111.4	L94 F95 E96 E101 N102 T391 L393	L94-V98 HydrophobicContact CD2-CG2 4.46Å; L94-V98 WeakPolarHBondContact O-CG2 2.95Å; L94-V98 PolarHBondContact O-N 2.99Å; F95-V98 PolarHBondContact O-N 2.92Å; E96-V98 VanDerWaalsContact C-N 3.34Å; V98-E101 PolarHBondContact O-N 2.94Å; V98-N102 VanDerWaalsContact O-CG 3.24Å; V98-N102 PolarHBondContact O-N 3.33Å; V98-N102 PolarHBondContact O-ND2 3.33Å; V98-N102 VanDerWaalsContact O-ND2 3.16Å; V98-T391 HydrophobicContact CG1-CG2 4.05Å; V98-L393 HydrophobicContact CG1-CD1 3.89Å; V98-L393 HydrophobicContact CG2-CD1 4.05Å
99	L	65.2	Low	61.6	Low	9 Å²	9	23.8 Å²	23.8	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-42.9	179.1	-72.7	-178.3	0	0	0	113.1	F95 E96 R97 N102 S103 V378	F95-L99 HydrophobicContact CD1-CD1 3.84Å; F95-L99 HydrophobicContact CD1-CG 4.48Å; F95-L99 HydrophobicContact CE1-CD1 3.3Å; F95-L99 HydrophobicContact CE1-CG 4.12Å; F95-L99 HydrophobicContact CZ-CD1 3.73Å; F95-L99 HydrophobicContact CZ-CD2 4.44Å; F95-L99 HydrophobicContact CZ-CG 4.2Å; F95-L99 WeakPolarHBondContact O-CG 3.48Å; F95-L99 PolarHBondContact O-N 3.06Å; E96-L99 PolarHBondContact O-N 2.77Å; R97-L99 VanDerWaalsContact C-N 3.35Å; R97-L99 PolarHBondContact O-N 2.98Å; L99-N102 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-N 3.06Å; L99-S103 VanDerWaalsContact O-N 3.12Å; L99-S103 PolarHBondContact O-OG 2.89Å; L99-V378 HydrophobicContact CD1-CG2 4.31Å; L99-V378 HydrophobicContact CD2-CG2 4.34Å
100	G	63.3	Low	62.5	Low	1 Å²	1	23.3 Å²	23.3	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-44.8	175.3	0	0	0	0	0	112.1	E96 R97 N102 S103 V104	E96-G100 PolarHBondContact O-N 3.06Å; R97-G100 PolarHBondContact O-N 2.98Å; G100-N102 VanDerWaalsContact C-N 3.34Å; G100-N102 PolarHBondContact O-N 3.39Å; G100-S103 PolarHBondContact O-N 2.72Å; G100-V104 WeakPolarHBondContact O-CB 3.45Å; G100-V104 VanDerWaalsContact O-CG2 3.25Å; G100-V104 WeakPolarHBondContact O-CG2 3.09Å; G100-V104 PolarHBondContact O-N 3.04Å
101	E	61.5	Low	63.1	Low	2 Å²	2	18 Å²	18	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.6	-76.3	172.5	-174.1	0	0	110.7	R97 V98 V104 G105 W146 L150 P151	R97-E101 HydrophobicContact CG-CG 4.34Å; R97-E101 WeakPolarHBondContact CG-OE1 3.37Å; R97-E101 IonicContact CZ-OE1 2.67Å; R97-E101 IonicContact NE-OE1 3.08Å; R97-E101 PolarHBondContact NE-OE1 3.44Å; R97-E101 IonicContact NH2-OE1 2.78Å; R97-E101 VanDerWaalsContact O-CB 3.32Å; R97-E101 WeakPolarHBondContact O-CB 3.44Å; R97-E101 VanDerWaalsContact O-CG 3.23Å; R97-E101 WeakPolarHBondContact O-CG 3.31Å; R97-E101 PolarHBondContact O-N 2.83Å; V98-E101 PolarHBondContact O-N 2.94Å; E101-V104 PolarHBondContact O-N 3.42Å; E101-G105 PolarHBondContact O-N 3.24Å; E101-W146 HydrophobicContact CG-CE3 4.09Å; E101-W146 HydrophobicContact CG-CH2 4.37Å; E101-W146 HydrophobicContact CG-CZ3 3.74Å; E101-L150 HydrophobicContact CB-CD2 4.01Å; E101-L150 HydrophobicContact CG-CD2 4.46Å; E101-L150 WeakPolarHBondContact O-CD2 3.45Å; E101-P151 WeakPolarHBondContact OE2-CD 3.3Å; E101-P151 VanDerWaalsContact OE2-CG 3.29Å; E101-P151 WeakPolarHBondContact OE2-CG 3.28Å
102	N	65.2	Low	63.3	Low	50 Å²	50	18.5 Å²	18.5	27%	0.267	12%	0.115	S	C	.	.	H	α-helix	trans	-61.8	-47.4	177.3	-71.6	-28.9	0	0	0	113	V98 L99 G100 V104 G105 V106 T391	V98-N102 VanDerWaalsContact O-CG 3.24Å; V98-N102 PolarHBondContact O-N 3.33Å; V98-N102 PolarHBondContact O-ND2 3.33Å; V98-N102 VanDerWaalsContact O-ND2 3.16Å; L99-N102 PolarHBondContact O-N 3.29Å; G100-N102 VanDerWaalsContact C-N 3.34Å; G100-N102 PolarHBondContact O-N 3.39Å; N102-V104 VanDerWaalsContact C-N 3.34Å; N102-V104 PolarHBondContact O-N 3.48Å; N102-G105 PolarHBondContact O-N 3.03Å; N102-V106 WeakPolarHBondContact O-CG2 3.37Å; N102-V106 PolarHBondContact O-N 2.78Å; N102-V106 VanDerWaalsContact O-N 3.16Å; N102-T391 VanDerWaalsContact ND2-CG2 3.29Å; N102-T391 WeakPolarHBondContact ND2-CG2 3.29Å
103	S	65.2	Low	63.8	Low	5 Å²	5	19.1 Å²	19.1	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-42.9	-178.8	-60.9	0	0	0	0	111.8	L99 G100 V106 I107 P265	L99-S103 PolarHBondContact O-N 3.06Å; L99-S103 VanDerWaalsContact O-N 3.12Å; L99-S103 PolarHBondContact O-OG 2.89Å; G100-S103 PolarHBondContact O-N 2.72Å; S103-V106 PolarHBondContact O-N 3.23Å; S103-I107 WeakPolarHBondContact O-CD1 3.37Å; S103-I107 WeakPolarHBondContact O-CG1 3.17Å; S103-I107 PolarHBondContact O-N 3.39Å; S103-P265 WeakPolarHBondContact OG-CA 3.44Å
104	V	64.3	Low	64.2	Low	11 Å²	11	18 Å²	18	7%	0.067	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-39.8	176.7	171.4	0	0	0	0	111.3	G100 E101 N102 V106 I107 V108 L147 L150	G100-V104 WeakPolarHBondContact O-CB 3.45Å; G100-V104 VanDerWaalsContact O-CG2 3.25Å; G100-V104 WeakPolarHBondContact O-CG2 3.09Å; G100-V104 PolarHBondContact O-N 3.04Å; E101-V104 PolarHBondContact O-N 3.42Å; N102-V104 VanDerWaalsContact C-N 3.34Å; N102-V104 PolarHBondContact O-N 3.48Å; V104-V106 VanDerWaalsContact C-N 3.3Å; V104-V106 PolarHBondContact O-N 3.04Å; V104-I107 PolarHBondContact O-N 3.24Å; V104-V108 HydrophobicContact CG1-CG2 4.2Å; V104-V108 WeakPolarHBondContact O-CG2 3.32Å; V104-V108 PolarHBondContact O-N 3.24Å; V104-L147 HydrophobicContact CG1-CD2 3.28Å; V104-L150 HydrophobicContact CG1-CD1 4.38Å; V104-L150 HydrophobicContact CG1-CD2 4.47Å
105	G	62.2	Low	64.3	Low	27 Å²	27	20 Å²	20	28%	0.278	12%	0.119	S	C	.	.	H	α-helix	trans	-56.4	-42.7	175.2	0	0	0	0	0	112.9	E101 N102 S109	E101-G105 PolarHBondContact O-N 3.24Å; N102-G105 PolarHBondContact O-N 3.03Å; G105-S109 WeakPolarHBondContact O-CB 3.4Å; G105-S109 PolarHBondContact O-N 3.42Å
106	V	68.2	Low	64.1	Low	34 Å²	34	23.4 Å²	23.4	21%	0.206	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-45.3	176.5	175.3	0	0	0	0	111.3	N102 S103 V104 S109 W110 L270 E272	N102-V106 WeakPolarHBondContact O-CG2 3.37Å; N102-V106 PolarHBondContact O-N 2.78Å; N102-V106 VanDerWaalsContact O-N 3.16Å; S103-V106 PolarHBondContact O-N 3.23Å; V104-V106 VanDerWaalsContact C-N 3.3Å; V104-V106 PolarHBondContact O-N 3.04Å; V106-S109 PolarHBondContact O-N 3.05Å; V106-W110 WeakPolarHBondContact O-CB 3.33Å; V106-W110 PolarHBondContact O-N 3.48Å; V106-L270 HydrophobicContact CG1-CD2 4.28Å; V106-L270 WeakPolarHBondContact CG1-O 3.49Å; V106-L270 VanDerWaalsContact CG2-O 3.28Å; V106-L270 WeakPolarHBondContact CG2-O 3.15Å; V106-E272 HydrophobicContact CG1-CG 4.32Å
107	I	69.4	Low	63.9	Low	5 Å²	5	27.5 Å²	27.5	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-45.6	-179.8	-62.8	160.2	0	0	0	110.8	V63 V65 S103 V104 S109 W110 V111 L129 I263 L275	V63-I107 HydrophobicContact CG1-CD1 4.16Å; V63-I107 HydrophobicContact CG1-CG1 4.44Å; V63-I107 HydrophobicContact CG1-CG2 4.2Å; V65-I107 HydrophobicContact CG2-CD1 3.19Å; S103-I107 WeakPolarHBondContact O-CD1 3.37Å; S103-I107 WeakPolarHBondContact O-CG1 3.17Å; S103-I107 PolarHBondContact O-N 3.39Å; V104-I107 PolarHBondContact O-N 3.24Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 3.04Å; I107-W110 PolarHBondContact O-N 3.49Å; I107-V111 HydrophobicContact CG2-CG2 4.17Å; I107-V111 VanDerWaalsContact O-CG2 3.3Å; I107-V111 WeakPolarHBondContact O-CG2 3.45Å; I107-V111 PolarHBondContact O-N 2.68Å; I107-L129 HydrophobicContact CG2-CD2 3.57Å; I107-I263 HydrophobicContact CD1-CD1 3.4Å; I107-I263 HydrophobicContact CG1-CD1 3.58Å; I107-L275 HydrophobicContact CG1-CD1 4.22Å
108	V	64.2	Low	63.6	Low	42 Å²	42	36.7 Å²	36.7	26%	0.255	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-42.8	178.9	171.8	0	0	0	0	110.5	V104 A112	V104-V108 HydrophobicContact CG1-CG2 4.2Å; V104-V108 WeakPolarHBondContact O-CG2 3.32Å; V104-V108 PolarHBondContact O-N 3.24Å; V108-A112 VanDerWaalsContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.02Å; V108-A112 PolarHBondContact O-N 2.8Å
109	S	66.1	Low	62.9	Low	43 Å²	43	41 Å²	41	30%	0.301	22%	0.22	S	C	.	.	H	α-helix	trans	-63.3	-45.2	176	-169.1	0	0	0	0	111.8	G105 V106 I107 A112 N113 E272	G105-S109 WeakPolarHBondContact O-CB 3.4Å; G105-S109 PolarHBondContact O-N 3.42Å; V106-S109 PolarHBondContact O-N 3.05Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 3.04Å; S109-A112 WeakPolarHBondContact O-CB 3.42Å; S109-A112 PolarHBondContact O-N 2.99Å; S109-N113 WeakPolarHBondContact O-CB 3.1Å; S109-N113 PolarHBondContact O-N 3.29Å; S109-E272 WeakPolarHBondContact CB-OE1 3.46Å; S109-E272 PolarHBondContact OG-OE1 2.94Å
110	W	71.1	Confident	62.1	Low	4 Å²	4	42.1 Å²	42.1	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-48.4	176.4	177.9	71.2	0	0	0	112.8	L61 V63 V106 I107 A112 N113 C114 I261 E272 L275 T276 I279	L61-W110 HydrophobicContact CD2-CH2 3.74Å; L61-W110 HydrophobicContact CD2-CZ3 4.03Å; V63-W110 HydrophobicContact CG2-CZ3 3.82Å; V106-W110 WeakPolarHBondContact O-CB 3.33Å; V106-W110 PolarHBondContact O-N 3.48Å; I107-W110 PolarHBondContact O-N 3.49Å; W110-A112 VanDerWaalsContact C-N 3.29Å; W110-A112 PolarHBondContact O-N 2.88Å; W110-N113 CarbonylContact O-C 3.5Å; W110-N113 WeakPolarHBondContact O-CB 2.98Å; W110-N113 PolarHBondContact O-N 3.17Å; W110-N113 VanDerWaalsContact O-N 3.08Å; W110-C114 VanDerWaalsContact CE2-SG 3.52Å; W110-C114 WeakPolarHBondContact O-CB 3.01Å; W110-C114 PolarHBondContact O-N 2.77Å; W110-C114 PolarHBondContact O-SG 3.2Å; W110-I261 HydrophobicContact CH2-CD1 4.04Å; W110-E272 HydrophobicContact CB-CB 4.18Å; W110-E272 HydrophobicContact CB-CG 3.92Å; W110-E272 HydrophobicContact CG-CB 4.41Å; W110-E272 PolarHBondContact NE1-O 3.25Å; W110-L275 HydrophobicContact CB-CD1 3.96Å; W110-L275 HydrophobicContact CD2-CB 3.75Å; W110-L275 HydrophobicContact CD2-CD1 3.78Å; W110-L275 HydrophobicContact CD2-CG 4.43Å; W110-L275 VanDerWaalsContact CE2-CB 3.47Å; W110-L275 HydrophobicContact CE3-CB 4.27Å; W110-L275 HydrophobicContact CE3-CD1 3.89Å; W110-L275 HydrophobicContact CG-CB 4.09Å; W110-L275 HydrophobicContact CG-CD1 3.84Å; W110-L275 HydrophobicContact CH2-CB 4.14Å; W110-L275 HydrophobicContact CZ2-CB 3.68Å; W110-L275 HydrophobicContact CZ3-CB 4.47Å; W110-T276 PolarHBondContact NE1-OG1 3.14Å; W110-I279 HydrophobicContact CH2-CD1 3.4Å; W110-I279 HydrophobicContact CH2-CG1 4.21Å; W110-I279 HydrophobicContact CZ2-CD1 3.54Å; W110-I279 HydrophobicContact CZ2-CG1 4.17Å
111	V	66.9	Low	61.4	Low	3 Å²	3	45.4 Å²	45.4	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-39.8	177.5	-179.9	0	0	0	0	110.4	I107 N113 C114 I115 L129 L227	I107-V111 HydrophobicContact CG2-CG2 4.17Å; I107-V111 VanDerWaalsContact O-CG2 3.3Å; I107-V111 WeakPolarHBondContact O-CG2 3.45Å; I107-V111 PolarHBondContact O-N 2.68Å; V111-N113 VanDerWaalsContact C-N 3.3Å; V111-N113 PolarHBondContact O-N 2.92Å; V111-C114 PolarHBondContact O-N 3.31Å; V111-I115 HydrophobicContact CG1-CD1 3.97Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 VanDerWaalsContact O-CG1 3.23Å; V111-I115 WeakPolarHBondContact O-CG1 3.34Å; V111-I115 PolarHBondContact O-N 3.43Å; V111-L129 HydrophobicContact CG2-CD1 4.24Å; V111-L129 HydrophobicContact CG2-CD2 4.04Å; V111-L227 HydrophobicContact CB-CD2 4.36Å; V111-L227 HydrophobicContact CG1-CD2 3.44Å; V111-L227 VanDerWaalsContact CG1-CD2 3.44Å
112	A	62.9	Low	60.8	Low	11 Å²	11	45.9 Å²	45.9	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-38.9	174.5	0	0	0	0	0	112.1	V108 S109 W110 R116	V108-A112 VanDerWaalsContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.02Å; V108-A112 PolarHBondContact O-N 2.8Å; S109-A112 WeakPolarHBondContact O-CB 3.42Å; S109-A112 PolarHBondContact O-N 2.99Å; W110-A112 VanDerWaalsContact C-N 3.29Å; W110-A112 PolarHBondContact O-N 2.88Å; A112-R116 PolarHBondContact O-N 3.47Å
113	N	66.6	Low	59.9	Low	46 Å²	46	45.1 Å²	45.1	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-70.8	-40.6	175.8	-77.3	-19.9	0	0	0	112.7	S109 W110 V111 I115 R116 K117 E272	S109-N113 WeakPolarHBondContact O-CB 3.1Å; S109-N113 PolarHBondContact O-N 3.29Å; W110-N113 CarbonylContact O-C 3.5Å; W110-N113 WeakPolarHBondContact O-CB 2.98Å; W110-N113 PolarHBondContact O-N 3.17Å; W110-N113 VanDerWaalsContact O-N 3.08Å; V111-N113 VanDerWaalsContact C-N 3.3Å; V111-N113 PolarHBondContact O-N 2.92Å; N113-I115 PolarHBondContact O-N 3.37Å; N113-R116 WeakPolarHBondContact O-CB 3.09Å; N113-R116 PolarHBondContact O-N 2.94Å; N113-R116 VanDerWaalsContact O-N 3.14Å; N113-K117 PolarHBondContact O-N 3.46Å; N113-E272 PolarHBondContact ND2-OE1 2.84Å; N113-E272 PolarHBondContact ND2-OE2 3.04Å
114	C	63.7	Low	59.3	Low	10 Å²	10	45.9 Å²	45.9	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-44.3	173.6	-74.6	0	0	0	0	111.6	W110 V111 R116 K117 I124	W110-C114 VanDerWaalsContact CE2-SG 3.52Å; W110-C114 WeakPolarHBondContact O-CB 3.01Å; W110-C114 PolarHBondContact O-N 2.77Å; W110-C114 PolarHBondContact O-SG 3.2Å; V111-C114 PolarHBondContact O-N 3.31Å; C114-R116 PolarHBondContact O-N 3.46Å; C114-K117 CarbonylContact O-C 3.6Å; C114-K117 PolarHBondContact O-N 2.89Å; C114-I124 HydrophobicContact CB-CD1 3.69Å; C114-I124 HydrophobicContact CB-CG1 4.36Å; C114-I124 HydrophobicContact CB-CG2 4.47Å; C114-I124 WeakPolarHBondContact O-CD1 3.49Å
115	I	61.1	Low	58.6	Low	46 Å²	46	53.3 Å²	53.3	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-30.7	177.3	-66.5	163.4	0	0	0	111.7	V111 N113 I124 L223 L227	V111-I115 HydrophobicContact CG1-CD1 3.97Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 VanDerWaalsContact O-CG1 3.23Å; V111-I115 WeakPolarHBondContact O-CG1 3.34Å; V111-I115 PolarHBondContact O-N 3.43Å; N113-I115 PolarHBondContact O-N 3.37Å; I115-I124 HydrophobicContact CG1-CG2 3.73Å; I115-L223 HydrophobicContact CB-CD1 4.41Å; I115-L223 HydrophobicContact CB-CD2 4.4Å; I115-L223 HydrophobicContact CD1-CD2 3.7Å; I115-L223 HydrophobicContact CD1-CG 4.36Å; I115-L223 HydrophobicContact CG2-CD1 3.59Å; I115-L223 HydrophobicContact CG2-CD2 4.11Å; I115-L223 HydrophobicContact CG2-CG 3.72Å; I115-L227 HydrophobicContact CD1-CD1 4.28Å; I115-L227 HydrophobicContact CD1-CD2 3.5Å; I115-L227 VanDerWaalsContact CD1-CD2 3.5Å; I115-L227 HydrophobicContact CD1-CG 3.8Å
116	R	55.2	Low	58.2	Low	79 Å²	79	54.4 Å²	54.4	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-79.5	-47.5	176.6	-72.8	-167.3	168.9	97.7	10.7	113.4	A112 N113 C114 K118 F207	A112-R116 PolarHBondContact O-N 3.47Å; N113-R116 WeakPolarHBondContact O-CB 3.09Å; N113-R116 PolarHBondContact O-N 2.94Å; N113-R116 VanDerWaalsContact O-N 3.14Å; C114-R116 PolarHBondContact O-N 3.46Å; R116-K118 PolarHBondContact O-N 2.86Å; R116-F207 VanDerWaalsContact NH2-CD1 3.25Å
117	K	57.2	Low	57.7	Low	133 Å²	133	53 Å²	53	58%	0.578	29%	0.287	S	S	*	.			trans	-83.3	91.4	-178.9	-67.5	-176.8	-178.5	177.1	0	107.8	N113 C114 S119	N113-K117 PolarHBondContact O-N 3.46Å; C114-K117 CarbonylContact O-C 3.6Å; C114-K117 PolarHBondContact O-N 2.89Å; K117-S119 PolarHBondContact O-N 3.27Å
118	K	53.3	Low	57.4	Low	206 Å²	206	54.2 Å²	54.2	90%	0.896	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-56.4	8.7	168.1	-74.1	-176	177.1	178.6	0	114.1	R116	R116-K118 PolarHBondContact O-N 2.86Å
119	S	47.5	Very low	57.3	Low	95 Å²	95	52.5 Å²	52.5	66%	0.664	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-91.8	1.8	-162.7	64.8	0	0	0	0	114.9	K117	K117-S119 PolarHBondContact O-N 3.27Å
120	L	50.2	Low	57	Low	31 Å²	31	50.6 Å²	50.6	16%	0.162	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-89.8	1.7	-177	-85.2	162.4	0	0	0	114.5	V122 I124 T276 Q280	L120-V122 PolarHBondContact O-N 3Å; L120-I124 HydrophobicContact CD1-CD1 4.5Å; L120-T276 HydrophobicContact CD1-CG2 4.49Å; L120-T276 HydrophobicContact CD2-CG2 3.92Å; L120-Q280 HydrophobicContact CD2-CG 4.05Å
121	G	47.7	Very low	56.3	Low	71 Å²	71	50.8 Å²	50.8	73%	0.732	27%	0.27	S	S	*	.	S	Bend	trans	65.5	-19.2	-174.8	0	0	0	0	0	114.2
122	V	49.4	Very low	55.8	Low	12 Å²	12	50.6 Å²	50.6	7%	0.073	27%	0.269	C	S	.	.	S	Bend	trans	-83.8	117	171.9	177.8	0	0	0	0	108.8	S59 L120 I124 Y259 I279	S59-V122 WeakPolarHBondContact OG-CA 3.29Å; L120-V122 PolarHBondContact O-N 3Å; V122-I124 VanDerWaalsContact C-N 3.33Å; V122-I124 HydrophobicContact CG1-CG1 4.48Å; V122-I124 PolarHBondContact O-N 3.38Å; V122-Y259 HydrophobicContact CG2-CE2 4.29Å; V122-I279 HydrophobicContact CG2-CG2 4.06Å
123	S	46.5	Very low	55.6	Low	33 Å²	33	51.6 Å²	51.6	23%	0.231	27%	0.271	C	S	.	.			trans	-69.2	93.5	170.8	145.4	0	0	0	0	109.4	S57 V58 K125	S57-S123 WeakPolarHBondContact O-CB 3.46Å; V58-S123 WeakPolarHBondContact CG1-OG 3.11Å; S123-K125 PolarHBondContact O-N 2.92Å
124	I	51.6	Low	55	Low	21 Å²	21	50.6 Å²	50.6	11%	0.108	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.9	7.1	177.9	-71.7	144	0	0	0	113.7	C114 I115 L120 V122 N126 T127 K230	C114-I124 HydrophobicContact CB-CD1 3.69Å; C114-I124 HydrophobicContact CB-CG1 4.36Å; C114-I124 HydrophobicContact CB-CG2 4.47Å; C114-I124 WeakPolarHBondContact O-CD1 3.49Å; I115-I124 HydrophobicContact CG1-CG2 3.73Å; L120-I124 HydrophobicContact CD1-CD1 4.5Å; V122-I124 VanDerWaalsContact C-N 3.33Å; V122-I124 HydrophobicContact CG1-CG1 4.48Å; V122-I124 PolarHBondContact O-N 3.38Å; I124-N126 PolarHBondContact O-N 3.34Å; I124-N126 VanDerWaalsContact O-N 3.15Å; I124-T127 HydrophobicContact CB-CG2 4.01Å; I124-T127 HydrophobicContact CG1-CG2 4.1Å; I124-T127 HydrophobicContact CG2-CG2 3.64Å; I124-K230 PolarHBondContact O-NZ 3.34Å
125	K	49.8	Very low	54.3	Low	167 Å²	167	53.8 Å²	53.8	73%	0.726	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-57.1	-26.6	170.7	-77.6	-173.4	177.3	177.6	0	112.3	S123 K230	S123-K125 PolarHBondContact O-N 2.92Å; K125-K230 WeakPolarHBondContact O-CE 3.45Å
126	N	54.3	Low	53.7	Low	51 Å²	51	55.6 Å²	55.6	27%	0.273	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-120.8	48.5	-176.6	-62.8	4.2	0	0	0	113	V58 R60 L61 I124	V58-N126 HydrophobicContact CG1-CB 3.82Å; V58-N126 WeakPolarHBondContact CG1-ND2 3.31Å; R60-N126 CarbonylContact C-O 3.54Å; R60-N126 VanDerWaalsContact CA-O 3.25Å; R60-N126 WeakPolarHBondContact CA-O 3.39Å; R60-N126 HydrophobicContact CB-CB 4.07Å; R60-N126 HydrophobicContact CG-CB 3.66Å; R60-N126 PolarHBondContact NE-ND2 2.87Å; L61-N126 PolarHBondContact N-O 3.44Å; I124-N126 PolarHBondContact O-N 3.34Å; I124-N126 VanDerWaalsContact O-N 3.15Å
127	T	57.8	Low	52.7	Low	5 Å²	5	63.5 Å²	63.5	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.8	168.8	60.3	0	0	0	0	109	L61 I124 K230	L61-T127 HydrophobicContact CB-CG2 4.05Å; L61-T127 HydrophobicContact CD2-CG2 3.81Å; L61-T127 HydrophobicContact CG-CG2 4.45Å; L61-T127 CarbonylContact O-C 3.59Å; L61-T127 VanDerWaalsContact O-C 3.31Å; L61-T127 WeakPolarHBondContact O-CA 3.09Å; I124-T127 HydrophobicContact CB-CG2 4.01Å; I124-T127 HydrophobicContact CG1-CG2 4.1Å; I124-T127 HydrophobicContact CG2-CG2 3.64Å; T127-K230 WeakPolarHBondContact O-CB 3.37Å; T127-K230 WeakPolarHBondContact O-CD 3.28Å; T127-K230 WeakPolarHBondContact O-CG 3.34Å; T127-K230 WeakPolarHBondContact OG1-CD 3.43Å; T127-K230 WeakPolarHBondContact OG1-CE 3.29Å; T127-K230 PolarHBondContact OG1-NZ 2.94Å
128	D	62.4	Low	51.7	Low	29 Å²	29	62.4 Å²	62.4	16%	0.155	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.3	170.5	-67.9	-23.3	0	0	0	109.7	L61 G62 V63 K230 Q232 L257	L61-D128 PolarHBondContact O-N 2.72Å; G62-D128 CarbonylContact C-O 3.48Å; G62-D128 VanDerWaalsContact CA-O 3.24Å; G62-D128 WeakPolarHBondContact CA-O 3.4Å; V63-D128 PolarHBondContact N-O 3.05Å; D128-K230 CarbonylContact C-O 3.55Å; D128-K230 VanDerWaalsContact CA-O 3.29Å; D128-K230 WeakPolarHBondContact CA-O 3.31Å; D128-Q232 PolarHBondContact OD2-NE2 3.08Å; D128-L257 HydrophobicContact CB-CD1 4.35Å; D128-L257 HydrophobicContact CB-CD2 4.03Å
129	L	61.6	Low	50.9	Low	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	104.6	175.7	-72.8	162.3	0	0	0	107.4	V63 I107 V111 K230 F231 Q232	V63-L129 HydrophobicContact CB-CD2 3.92Å; V63-L129 HydrophobicContact CG2-CD2 4.26Å; I107-L129 HydrophobicContact CG2-CD2 3.57Å; V111-L129 HydrophobicContact CG2-CD1 4.24Å; V111-L129 HydrophobicContact CG2-CD2 4.04Å; L129-K230 PolarHBondContact N-O 3.48Å; L129-F231 HydrophobicContact CB-CD1 3.42Å; L129-F231 VanDerWaalsContact CB-CD1 3.42Å; L129-F231 HydrophobicContact CB-CD2 4.33Å; L129-F231 HydrophobicContact CB-CE1 3.5Å; L129-F231 VanDerWaalsContact CB-CE1 3.5Å; L129-F231 HydrophobicContact CB-CE2 4.39Å; L129-F231 HydrophobicContact CB-CG 3.89Å; L129-F231 HydrophobicContact CB-CZ 4.02Å; L129-F231 HydrophobicContact CD1-CD1 4.27Å; L129-F231 HydrophobicContact CD1-CD2 4.09Å; L129-F231 HydrophobicContact CD1-CE1 3.7Å; L129-F231 HydrophobicContact CD1-CE2 3.48Å; L129-F231 VanDerWaalsContact CD1-CE2 3.48Å; L129-F231 HydrophobicContact CD1-CG 4.46Å; L129-F231 HydrophobicContact CD1-CZ 3.28Å; L129-F231 HydrophobicContact CG-CD1 4.44Å; L129-F231 HydrophobicContact CG-CE1 4.12Å; L129-F231 HydrophobicContact CG-CZ 4.2Å; L129-F231 CarbonylContact O-C 3.54Å; L129-F231 VanDerWaalsContact O-CA 3.24Å; L129-F231 WeakPolarHBondContact O-CA 3.42Å; L129-Q232 PolarHBondContact O-N 3.02Å
130	I	60.5	Low	50.2	Low	2 Å²	2	55 Å²	55	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.3	-178.2	-57.5	-179.4	0	0	0	108.1	V63 V64 V65 V132 Q232 I234 A252 L257	V63-I130 PolarHBondContact O-N 3.46Å; V64-I130 WeakPolarHBondContact CA-O 3.43Å; V64-I130 HydrophobicContact CG1-CG2 4.42Å; V64-I130 HydrophobicContact CG2-CB 4.15Å; V64-I130 HydrophobicContact CG2-CG2 4.46Å; V65-I130 PolarHBondContact N-O 3.33Å; I130-V132 HydrophobicContact CG2-CG2 4.08Å; I130-Q232 WeakPolarHBondContact CA-O 3.27Å; I130-Q232 HydrophobicContact CG1-CB 4.25Å; I130-I234 HydrophobicContact CG2-CD1 3.36Å; I130-I234 HydrophobicContact CG2-CG1 4.29Å; I130-A252 VanDerWaalsContact CD1-CA 3.46Å; I130-A252 HydrophobicContact CD1-CB 3.76Å; I130-L257 HydrophobicContact CD1-CD1 3.73Å
131	L	56.6	Low	49.4	Very low	8 Å²	8	56 Å²	56	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	177.9	-179.3	59.7	0	0	0	109.9	V65 T67 L143 Q232 Y233 I234	V65-L131 HydrophobicContact CB-CD1 3.57Å; V65-L131 HydrophobicContact CG1-CD1 3.88Å; V65-L131 WeakPolarHBondContact O-CD1 3.37Å; T67-L131 HydrophobicContact CG2-CD1 4.43Å; L131-L143 HydrophobicContact CD1-CD1 4.35Å; L131-L143 HydrophobicContact CD2-CB 4.24Å; L131-L143 HydrophobicContact CD2-CD1 3.09Å; L131-L143 HydrophobicContact CD2-CD2 3.05Å; L131-L143 HydrophobicContact CD2-CG 3.5Å; L131-L143 HydrophobicContact CG-CD1 3.56Å; L131-L143 HydrophobicContact CG-CD2 4.38Å; L131-L143 HydrophobicContact CG-CG 4.46Å; L131-Q232 PolarHBondContact N-O 3.28Å; L131-Y233 HydrophobicContact CB-CD1 4.37Å; L131-Y233 HydrophobicContact CD2-CE1 4.42Å; L131-I234 PolarHBondContact O-N 3.01Å
132	V	57.1	Low	48.9	Very low	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.5	-171.4	-176.9	0	0	0	0	108.3	V64 V65 T67 I130 I234 L244 V247 G248	V64-V132 HydrophobicContact CG1-CB 4.35Å; V64-V132 HydrophobicContact CG1-CG2 3.55Å; V65-V132 PolarHBondContact O-N 2.92Å; T67-V132 PolarHBondContact N-O 2.95Å; T67-V132 VanDerWaalsContact N-O 3.15Å; I130-V132 HydrophobicContact CG2-CG2 4.08Å; V132-I234 WeakPolarHBondContact CA-O 3.29Å; V132-I234 HydrophobicContact CG2-CB 4.5Å; V132-I234 HydrophobicContact CG2-CD1 4.01Å; V132-L244 HydrophobicContact CG1-CB 4.15Å; V132-L244 HydrophobicContact CG1-CD2 3.99Å; V132-L244 HydrophobicContact CG1-CG 4.5Å; V132-L244 WeakPolarHBondContact CG1-O 3.19Å; V132-V247 HydrophobicContact CG1-CG1 4.19Å; V132-G248 VanDerWaalsContact CG2-CA 3.45Å
133	Y	57.3	Low	48.4	Very low	31 Å²	31	57.3 Å²	57.3	12%	0.122	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.4	-178.3	71.5	-82.8	0	0	0	111.4	T67 L143 I234 S235 S236	T67-Y133 WeakPolarHBondContact OG1-CB 3.4Å; Y133-L143 HydrophobicContact CD1-CD1 3.93Å; Y133-L143 HydrophobicContact CE1-CD1 4.29Å; Y133-L143 HydrophobicContact CG-CD1 4.41Å; Y133-I234 PolarHBondContact N-O 3.16Å; Y133-S235 WeakPolarHBondContact O-CA 3.41Å; Y133-S236 PolarHBondContact O-N 3.5Å
134	T	53.8	Low	47.8	Very low	26 Å²	26	59.3 Å²	59.3	16%	0.16	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133	170.9	35.7	0	0	0	0	111.1	T136 S236 K238 L244	T134-T136 PolarHBondContact O-N 3.14Å; T134-S236 CarbonylContact C-O 3.54Å; T134-S236 WeakPolarHBondContact CA-O 3.38Å; T134-K238 WeakPolarHBondContact CG2-O 3.29Å; T134-L244 HydrophobicContact CG2-CD1 3.9Å; T134-L244 HydrophobicContact CG2-CD2 3.7Å; T134-L244 HydrophobicContact CG2-CG 3.86Å
135	K	50.6	Low	47.3	Very low	77 Å²	77	61.2 Å²	61.2	34%	0.335	29%	0.294	S	S	.	.			trans	-83.3	87.1	174.7	-170.1	176	165.5	-159.4	0	109	S139 S236 E237	K135-S139 VanDerWaalsContact C-OG 3.3Å; K135-S139 WeakPolarHBondContact CA-OG 3.2Å; K135-S236 PolarHBondContact N-O 3.16Å; K135-E237 HydrophobicContact CB-CG 4.35Å; K135-E237 HydrophobicContact CD-CG 4.03Å; K135-E237 IonicContact NZ-OE1 3.87Å; K135-E237 PolarHBondContact NZ-OE1 3.38Å
136	T	47.4	Very low	46.7	Very low	84 Å²	84	55.6 Å²	55.6	52%	0.515	27%	0.268	S	S	.	.			trans	-64.7	151.5	166.1	61.7	0	0	0	0	109.3	T134 N138 S139	T134-T136 PolarHBondContact O-N 3.14Å; T136-N138 PolarHBondContact O-N 3.23Å; T136-S139 PolarHBondContact N-OG 3.37Å; T136-S139 PolarHBondContact O-N 3.45Å; T136-S139 PolarHBondContact O-OG 3.03Å
137	R	34.5	Very low	45.8	Very low	245 Å²	245	54.2 Å²	54.2	93%	0.925	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-15.9	179.5	-79.5	-178.4	175.6	171	0.2	114.2
138	N	37.1	Very low	44.7	Very low	110 Å²	110	57.5 Å²	57.5	59%	0.588	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.3	177.9	-68.5	-17.5	0	0	0	115.5	T136 L140	T136-N138 PolarHBondContact O-N 3.23Å; N138-L140 PolarHBondContact O-N 2.74Å
139	S	36.4	Very low	43.7	Very low	15 Å²	15	56.1 Å²	56.1	11%	0.105	27%	0.27	C	S	.	.			trans	-93.1	37.8	-174.4	66.2	0	0	0	0	114.3	K135 T136 Y141	K135-S139 VanDerWaalsContact C-OG 3.3Å; K135-S139 WeakPolarHBondContact CA-OG 3.2Å; T136-S139 PolarHBondContact N-OG 3.37Å; T136-S139 PolarHBondContact O-N 3.45Å; T136-S139 PolarHBondContact O-OG 3.03Å; S139-Y141 PolarHBondContact O-N 3.21Å
140	L	31.4	Very low	42.6	Very low	130 Å²	130	58.3 Å²	58.3	68%	0.681	28%	0.282	S	S	*	.			trans	-65.3	20.3	-179.9	-93.9	162.9	0	0	0	115.1	N138	N138-L140 PolarHBondContact O-N 2.74Å
141	Y	34.7	Very low	41.6	Very low	51 Å²	51	58.5 Å²	58.5	20%	0.2	28%	0.283	C	S	.	.	S	Bend	trans	-127.1	129	-172	-76.5	-70	0	0	0	113.5	S139 K145 R645	S139-Y141 PolarHBondContact O-N 3.21Å; Y141-K145 HydrophobicContact CD1-CD 3.81Å; Y141-K145 HydrophobicContact CG-CD 4.35Å; Y141-R645 PolarHBondContact OH-NH1 2.89Å; Y141-R645 PolarHBondContact OH-NH2 2.86Å
142	N	37	Very low	41	Very low	102 Å²	102	60.5 Å²	60.5	55%	0.545	29%	0.294	S	S	.	.			trans	-54	135.5	171.7	-93.4	-21.1	0	0	0	111.3	N144 K145	N142-N144 HydrophobicContact CB-CB 4.41Å; N142-N144 PolarHBondContact O-N 3.39Å; N142-K145 WeakPolarHBondContact O-CB 3.26Å; N142-K145 PolarHBondContact O-N 2.91Å
143	L	37.2	Very low	40.3	Very low	10 Å²	10	61.1 Å²	61.1	5%	0.052	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12	178.3	-142.1	141.3	0	0	0	113.7	L131 Y133 K145 W146 L147 Y233	L131-L143 HydrophobicContact CD1-CD1 4.35Å; L131-L143 HydrophobicContact CD2-CB 4.24Å; L131-L143 HydrophobicContact CD2-CD1 3.09Å; L131-L143 HydrophobicContact CD2-CD2 3.05Å; L131-L143 HydrophobicContact CD2-CG 3.5Å; L131-L143 HydrophobicContact CG-CD1 3.56Å; L131-L143 HydrophobicContact CG-CD2 4.38Å; L131-L143 HydrophobicContact CG-CG 4.46Å; Y133-L143 HydrophobicContact CD1-CD1 3.93Å; Y133-L143 HydrophobicContact CE1-CD1 4.29Å; Y133-L143 HydrophobicContact CG-CD1 4.41Å; L143-K145 PolarHBondContact O-N 2.61Å; L143-W146 HydrophobicContact CB-CB 4.44Å; L143-W146 HydrophobicContact CD2-CB 3.42Å; L143-W146 VanDerWaalsContact CD2-CB 3.42Å; L143-W146 HydrophobicContact CD2-CG 4.17Å; L143-W146 HydrophobicContact CG-CB 3.63Å; L143-W146 HydrophobicContact CG-CG 4.1Å; L143-W146 WeakPolarHBondContact O-CA 3.37Å; L143-W146 VanDerWaalsContact O-CB 3.28Å; L143-W146 WeakPolarHBondContact O-CB 3.07Å; L143-W146 PolarHBondContact O-N 3.08Å; L143-L147 HydrophobicContact CD2-CD1 4.38Å; L143-L147 HydrophobicContact CD2-CD2 4.37Å; L143-L147 HydrophobicContact CD2-CG 3.86Å; L143-L147 PolarHBondContact O-N 3.46Å; L143-Y233 HydrophobicContact CB-CD1 3.85Å; L143-Y233 HydrophobicContact CB-CE1 3.69Å; L143-Y233 HydrophobicContact CD2-CE1 4.5Å
144	N	34.6	Very low	39.4	Very low	75 Å²	75	64.9 Å²	64.9	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-48.7	-31.7	161.5	-75.7	-9.9	0	0	0	112.4	N142 N148 Y233	N142-N144 HydrophobicContact CB-CB 4.41Å; N142-N144 PolarHBondContact O-N 3.39Å; N144-N148 PolarHBondContact O-N 3.02Å; N144-N148 PolarHBondContact O-ND2 3.13Å; N144-N148 PolarHBondContact O-OD1 2.7Å; N144-Y233 PolarHBondContact OD1-OH 3Å
145	K	40.6	Very low	38.8	Very low	61 Å²	61	66.8 Å²	66.8	27%	0.265	32%	0.324	S	S	.	.	H	α-helix	trans	-77.8	-32.9	173	-67.4	-170.7	172.6	-128.1	0	113.2	Y141 N142 L143 V149 G554 D640	Y141-K145 HydrophobicContact CD1-CD 3.81Å; Y141-K145 HydrophobicContact CG-CD 4.35Å; N142-K145 WeakPolarHBondContact O-CB 3.26Å; N142-K145 PolarHBondContact O-N 2.91Å; L143-K145 PolarHBondContact O-N 2.61Å; K145-V149 WeakPolarHBondContact O-CG2 3.31Å; K145-G554 WeakPolarHBondContact O-CA 3.48Å; K145-D640 WeakPolarHBondContact CD-OD2 3.5Å; K145-D640 WeakPolarHBondContact CE-OD2 3.49Å; K145-D640 IonicContact NZ-OD2 3.78Å; K145-D640 PolarHBondContact NZ-OD2 2.88Å
146	W	37.8	Very low	38	Very low	49 Å²	49	64.4 Å²	64.4	19%	0.186	32%	0.317	C	S	.	.	H	α-helix	trans	-65.3	-46	173	-116.1	86.7	0	0	0	111.8	R97 E101 L143 N148 V149 P553	R97-W146 HydrophobicContact CB-CH2 4.32Å; R97-W146 HydrophobicContact CB-CZ2 4.24Å; R97-W146 HydrophobicContact CG-CH2 4.04Å; R97-W146 HydrophobicContact CG-CZ2 3.91Å; E101-W146 HydrophobicContact CG-CE3 4.09Å; E101-W146 HydrophobicContact CG-CH2 4.37Å; E101-W146 HydrophobicContact CG-CZ3 3.74Å; L143-W146 HydrophobicContact CB-CB 4.44Å; L143-W146 HydrophobicContact CD2-CB 3.42Å; L143-W146 VanDerWaalsContact CD2-CB 3.42Å; L143-W146 HydrophobicContact CD2-CG 4.17Å; L143-W146 HydrophobicContact CG-CB 3.63Å; L143-W146 HydrophobicContact CG-CG 4.1Å; L143-W146 WeakPolarHBondContact O-CA 3.37Å; L143-W146 VanDerWaalsContact O-CB 3.28Å; L143-W146 WeakPolarHBondContact O-CB 3.07Å; L143-W146 PolarHBondContact O-N 3.08Å; W146-N148 VanDerWaalsContact C-N 3.25Å; W146-N148 PolarHBondContact O-N 3.15Å; W146-V149 CarbonylContact O-C 3.59Å; W146-V149 WeakPolarHBondContact O-CA 3.28Å; W146-V149 WeakPolarHBondContact O-CB 3.46Å; W146-V149 PolarHBondContact O-N 3.2Å; W146-P553 HydrophobicContact CG-CB 4.23Å; W146-P553 VanDerWaalsContact NE1-CB 3.28Å
147	L	35.6	Very low	37.4	Very low	21 Å²	21	64 Å²	64	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-70.6	-20.6	-178.9	-68.4	174.8	0	0	0	113.4	V104 L143 V149 F231	V104-L147 HydrophobicContact CG1-CD2 3.28Å; L143-L147 HydrophobicContact CD2-CD1 4.38Å; L143-L147 HydrophobicContact CD2-CD2 4.37Å; L143-L147 HydrophobicContact CD2-CG 3.86Å; L143-L147 PolarHBondContact O-N 3.46Å; L147-V149 PolarHBondContact O-N 3.31Å; L147-F231 HydrophobicContact CD1-CD1 4.11Å; L147-F231 HydrophobicContact CD1-CE1 3.8Å; L147-F231 HydrophobicContact CD1-CZ 4Å
148	N	35.4	Very low	37.4	Very low	74 Å²	74	56.9 Å²	56.9	40%	0.396	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.7	169.2	-73.3	-12.4	0	0	0	112.5	N144 W146	N144-N148 PolarHBondContact O-N 3.02Å; N144-N148 PolarHBondContact O-ND2 3.13Å; N144-N148 PolarHBondContact O-OD1 2.7Å; W146-N148 VanDerWaalsContact C-N 3.25Å; W146-N148 PolarHBondContact O-N 3.15Å
149	V	40	Very low	37.3	Very low	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.			trans	-130.1	55.6	-172.3	-176.4	0	0	0	0	109.7	K145 W146 L147 P151 G554 L638	K145-V149 WeakPolarHBondContact O-CG2 3.31Å; W146-V149 CarbonylContact O-C 3.59Å; W146-V149 WeakPolarHBondContact O-CA 3.28Å; W146-V149 WeakPolarHBondContact O-CB 3.46Å; W146-V149 PolarHBondContact O-N 3.2Å; L147-V149 PolarHBondContact O-N 3.31Å; V149-P151 WeakPolarHBondContact O-CD 3.24Å; V149-G554 WeakPolarHBondContact CG2-O 3.45Å; V149-L638 WeakPolarHBondContact CB-O 3.29Å; V149-L638 WeakPolarHBondContact CG1-O 3.5Å; V149-L638 WeakPolarHBondContact CG2-O 3.16Å
150	L	39.1	Very low	37	Very low	53 Å²	53	59.8 Å²	59.8	28%	0.277	29%	0.294	S	S	.	.			trans	-85.3	102.9	155.9	-75.8	164.6	0	0	0	105.5	E101 V104 N152	E101-L150 HydrophobicContact CB-CD2 4.01Å; E101-L150 HydrophobicContact CG-CD2 4.46Å; E101-L150 WeakPolarHBondContact O-CD2 3.45Å; V104-L150 HydrophobicContact CG1-CD1 4.38Å; V104-L150 HydrophobicContact CG1-CD2 4.47Å; L150-N152 PolarHBondContact O-N 2.92Å
151	P	39.9	Very low	37.1	Very low	6 Å²	6	56.5 Å²	56.5	4%	0.039	29%	0.286	C	S	.	.			trans	-55.8	131.4	169.2	-10.4	25.4	0	0	0	105.9	E101 V149 H153 Y611 L638	E101-P151 WeakPolarHBondContact OE2-CD 3.3Å; E101-P151 VanDerWaalsContact OE2-CG 3.29Å; E101-P151 WeakPolarHBondContact OE2-CG 3.28Å; V149-P151 WeakPolarHBondContact O-CD 3.24Å; P151-H153 PolarHBondContact O-CD2 3.07Å; P151-H153 PolarHBondContact O-N 3.22Å; P151-Y611 HydrophobicContact CG-CD1 4.46Å; P151-Y611 HydrophobicContact CG-CE1 3.79Å; P151-L638 HydrophobicContact CB-CD2 4.35Å
152	N	43.9	Very low	37.1	Very low	50 Å²	50	59.3 Å²	59.3	27%	0.267	31%	0.305	S	S	.	.			trans	-77.5	67.9	-178.1	-156.4	-15.4	0	0	0	109.8	L150 N154 Y155 S156 L206	L150-N152 PolarHBondContact O-N 2.92Å; N152-N154 PolarHBondContact O-N 2.93Å; N152-N154 VanDerWaalsContact O-N 3.14Å; N152-Y155 VanDerWaalsContact ND2-CB 3.34Å; N152-Y155 WeakPolarHBondContact ND2-CB 3.4Å; N152-Y155 PolarHBondContact O-N 3.23Å; N152-Y155 WeakPolarHBondContact OD1-CB 3.4Å; N152-Y155 PolarHBondContact OD1-N 3.41Å; N152-Y155 VanDerWaalsContact OD1-N 3.16Å; N152-S156 PolarHBondContact O-N 3.24Å; N152-L206 WeakPolarHBondContact ND2-CD2 3.08Å
153	H	42.1	Very low	37	Very low	14 Å²	14	58.2 Å²	58.2	7%	0.065	30%	0.299	C	S	.	.	H	α-helix	trans	-55.7	-28.3	178.5	-66.3	-67	0	0	0	111.7	P151 S156 K157	P151-H153 PolarHBondContact O-CD2 3.07Å; P151-H153 PolarHBondContact O-N 3.22Å; H153-S156 PolarHBondContact O-OG 2.72Å; H153-K157 PolarHBondContact O-N 3.46Å
154	N	38.5	Very low	36.9	Very low	110 Å²	110	65 Å²	65	59%	0.588	33%	0.33	S	S	*	.	H	α-helix	trans	-80.3	-27.5	176.3	-73.4	-20	0	0	0	113.3	N152 K157 L158	N152-N154 PolarHBondContact O-N 2.93Å; N152-N154 VanDerWaalsContact O-N 3.14Å; N154-K157 PolarHBondContact O-N 2.9Å; N154-L158 WeakPolarHBondContact O-CB 3.19Å; N154-L158 PolarHBondContact O-N 3.29Å
155	Y	40.1	Very low	36.9	Very low	65 Å²	65	68.6 Å²	68.6	26%	0.255	35%	0.349	S	S	.	.	H	α-helix	trans	-75.6	-34.9	175.4	-161.7	-74.8	0	0	0	111.6	N152 H159 Y209	N152-Y155 VanDerWaalsContact ND2-CB 3.34Å; N152-Y155 WeakPolarHBondContact ND2-CB 3.4Å; N152-Y155 PolarHBondContact O-N 3.23Å; N152-Y155 WeakPolarHBondContact OD1-CB 3.4Å; N152-Y155 PolarHBondContact OD1-N 3.41Å; N152-Y155 VanDerWaalsContact OD1-N 3.16Å; Y155-H159 HydrophobicContact CD1-CB 4.3Å; Y155-H159 HydrophobicContact CE1-CB 4.46Å; Y155-H159 AromaticContact CE1-CD2 3.59Å; Y155-H159 WeakPolarHBondContact O-CB 2.99Å; Y155-H159 PolarHBondContact O-N 2.93Å; Y155-Y209 HydrophobicContact CD2-CD1 4.22Å; Y155-Y209 AromaticContact CD2-CD2 3.94Å; Y155-Y209 HydrophobicContact CD2-CD2 3.94Å; Y155-Y209 HydrophobicContact CD2-CE1 4.38Å; Y155-Y209 HydrophobicContact CD2-CE2 4.11Å; Y155-Y209 AromaticContact CD2-CG 3.97Å; Y155-Y209 HydrophobicContact CD2-CG 3.97Å; Y155-Y209 HydrophobicContact CE2-CD1 4.02Å; Y155-Y209 AromaticContact CE2-CD2 3.23Å; Y155-Y209 HydrophobicContact CE2-CD2 3.23Å; Y155-Y209 AromaticContact CE2-CE1 3.88Å; Y155-Y209 HydrophobicContact CE2-CE1 3.88Å; Y155-Y209 AromaticContact CE2-CE2 3.06Å; Y155-Y209 HydrophobicContact CE2-CE2 3.06Å; Y155-Y209 AromaticContact CE2-CG 3.7Å; Y155-Y209 HydrophobicContact CE2-CG 3.7Å; Y155-Y209 AromaticContact CE2-CZ 3.39Å; Y155-Y209 AromaticContact CZ-CE2 3.39Å; Y155-Y209 AromaticContact CZ-CZ 3.38Å; Y155-Y209 WeakPolarHBondContact OH-CE2 3.39Å; Y155-Y209 PolarHBondContact OH-OH 3.06Å
156	S	33.6	Very low	36.8	Very low	28 Å²	28	74.3 Å²	74.3	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-52	166.9	54.5	0	0	0	0	109.5	N152 H153 L158 H159 F160	N152-S156 PolarHBondContact O-N 3.24Å; H153-S156 PolarHBondContact O-OG 2.72Å; S156-L158 PolarHBondContact O-N 3.38Å; S156-H159 PolarHBondContact O-N 2.92Å; S156-F160 WeakPolarHBondContact O-CB 3.4Å; S156-F160 WeakPolarHBondContact O-CD2 3.19Å; S156-F160 PolarHBondContact O-N 2.79Å
157	K	35.7	Very low	36.6	Very low	74 Å²	74	76.9 Å²	76.9	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-57.6	-46.3	179.1	-80.4	-174.8	171.2	-168.6	0	114.6	H153 N154 A161 Q389 S390	H153-K157 PolarHBondContact O-N 3.46Å; N154-K157 PolarHBondContact O-N 2.9Å; K157-A161 WeakPolarHBondContact O-CB 3.34Å; K157-A161 PolarHBondContact O-N 3.02Å; K157-Q389 PolarHBondContact NZ-O 3.43Å; K157-S390 VanDerWaalsContact NZ-C 3.29Å; K157-S390 PolarHBondContact NZ-O 3.45Å
158	L	35.3	Very low	36.5	Very low	96 Å²	96	86 Å²	86	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-74.1	-30.5	179.8	-96.1	129.7	0	0	0	113.6	N154 S156 N162	N154-L158 WeakPolarHBondContact O-CB 3.19Å; N154-L158 PolarHBondContact O-N 3.29Å; S156-L158 PolarHBondContact O-N 3.38Å; L158-N162 WeakPolarHBondContact O-CB 3.45Å; L158-N162 PolarHBondContact O-N 3.45Å
159	H	33.8	Very low	36.3	Very low	82 Å²	82	84.8 Å²	84.8	38%	0.38	43%	0.434	S	S	.	.	H	α-helix	trans	-80.4	-20.5	177.2	-153.5	-66.7	0	0	0	112.1	Y155 S156 N163	Y155-H159 HydrophobicContact CD1-CB 4.3Å; Y155-H159 HydrophobicContact CE1-CB 4.46Å; Y155-H159 AromaticContact CE1-CD2 3.59Å; Y155-H159 WeakPolarHBondContact O-CB 2.99Å; Y155-H159 PolarHBondContact O-N 2.93Å; S156-H159 PolarHBondContact O-N 2.92Å; H159-N163 PolarHBondContact ND1-ND2 3.05Å; H159-N163 WeakPolarHBondContact O-CB 3.45Å; H159-N163 PolarHBondContact O-ND2 3.34Å
160	F	31.2	Very low	36.1	Very low	104 Å²	104	90.2 Å²	90.2	46%	0.456	47%	0.472	S	S	.	.	H	α-helix	trans	-90.2	-44.7	170.8	-77.1	-72.3	0	0	0	112.2	S156 N162 N163 H164	S156-F160 WeakPolarHBondContact O-CB 3.4Å; S156-F160 WeakPolarHBondContact O-CD2 3.19Å; S156-F160 PolarHBondContact O-N 2.79Å; F160-N162 PolarHBondContact O-N 3.37Å; F160-N163 PolarHBondContact O-N 3.16Å; F160-H164 PolarHBondContact O-CD2 3.46Å; F160-H164 VanDerWaalsContact O-CD2 3.23Å; F160-H164 PolarHBondContact O-N 3.2Å
161	A	33.9	Very low	36	Very low	61 Å²	61	93.2 Å²	93.2	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-66.4	-38.8	-178.1	0	0	0	0	0	113.5	K157 N163	K157-A161 WeakPolarHBondContact O-CB 3.34Å; K157-A161 PolarHBondContact O-N 3.02Å; A161-N163 VanDerWaalsContact C-N 3.29Å; A161-N163 PolarHBondContact O-N 2.92Å
162	N	33.7	Very low	35.6	Very low	111 Å²	111	95.9 Å²	95.9	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-78.3	-11.6	178	-76	-25.4	0	0	0	114.1	L158 F160	L158-N162 WeakPolarHBondContact O-CB 3.45Å; L158-N162 PolarHBondContact O-N 3.45Å; F160-N162 PolarHBondContact O-N 3.37Å
163	N	34.2	Very low	35	Very low	79 Å²	79	100 Å²	100	42%	0.422	52%	0.52	S	S	.	.	H	α-helix	trans	-105.8	-14.6	-179	-74.5	-34.3	0	0	0	113.4	H159 F160 A161 D165	H159-N163 PolarHBondContact ND1-ND2 3.05Å; H159-N163 WeakPolarHBondContact O-CB 3.45Å; H159-N163 PolarHBondContact O-ND2 3.34Å; F160-N163 PolarHBondContact O-N 3.16Å; A161-N163 VanDerWaalsContact C-N 3.29Å; A161-N163 PolarHBondContact O-N 2.92Å; N163-D165 VanDerWaalsContact C-N 3.34Å
164	H	34.9	Very low	34.7	Very low	151 Å²	151	102.8 Å²	102.8	70%	0.699	54%	0.541	S	S	*	.	H	α-helix	trans	-72.2	-24.2	176.2	-96.7	-68.6	0	0	0	113.9	F160	F160-H164 PolarHBondContact O-CD2 3.46Å; F160-H164 VanDerWaalsContact O-CD2 3.23Å; F160-H164 PolarHBondContact O-N 3.2Å
165	D	36.2	Very low	34.3	Very low	152 Å²	152	101.6 Å²	101.6	81%	0.813	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.2	-175.7	-75.7	-17.8	0	0	0	115.4	N163	N163-D165 VanDerWaalsContact C-N 3.34Å
166	K	37.4	Very low	34	Very low	181 Å²	181	103.4 Å²	103.4	79%	0.787	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	-11.2	-169.2	-80.3	-172.3	178.1	179	0	118.4
167	I	34.3	Very low	34.1	Very low	103 Å²	103	106.9 Å²	106.9	53%	0.528	57%	0.569	S	S	.	*			trans	-134.7	81.1	-166.5	-47.2	-178.2	0	0	0	111.8
168	K	34	Very low	33.9	Very low	212 Å²	212	106.5 Å²	106.5	92%	0.922	58%	0.576	S	S	*	*			trans	-60.2	134.7	149.1	-73.9	178.2	174.1	178.4	0	108.7
169	G	31	Very low	33.7	Very low	48 Å²	48	104.5 Å²	104.5	50%	0.495	57%	0.57	S	S	.	*	S	Bend	trans	84.7	108.4	153.5	0	0	0	0	0	117.1	D171	G169-D171 VanDerWaalsContact C-N 3.31Å; G169-D171 PolarHBondContact O-N 3.49Å
170	S	36	Very low	33.7	Very low	115 Å²	115	103.9 Å²	103.9	80%	0.804	57%	0.572	S	S	*	*	S	Bend	trans	55.3	-17.7	138.5	56	0	0	0	0	123.4
171	D	36.4	Very low	33.7	Very low	116 Å²	116	108.2 Å²	108.2	62%	0.62	59%	0.585	S	S	*	*			trans	-104.2	0.4	-173.3	-74	-21.1	0	0	0	115.1	G169 Y173 S174	G169-D171 VanDerWaalsContact C-N 3.31Å; G169-D171 PolarHBondContact O-N 3.49Å; D171-Y173 VanDerWaalsContact C-N 3.31Å; D171-Y173 PolarHBondContact O-N 2.99Å; D171-S174 PolarHBondContact O-N 2.91Å; D171-S174 PolarHBondContact O-OG 2.77Å; D171-S174 VanDerWaalsContact O-OG 3.08Å
172	S	32.3	Very low	33.5	Very low	62 Å²	62	108.2 Å²	108.2	43%	0.434	58%	0.581	S	S	.	*	H	α-helix	trans	-69.9	-20.6	-174.1	39.7	0	0	0	0	114.5	I176	S172-I176 WeakPolarHBondContact O-CD1 3.43Å; S172-I176 WeakPolarHBondContact O-CG1 3.32Å
173	Y	31.4	Very low	33.4	Very low	136 Å²	136	107.8 Å²	107.8	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-77.7	-33.8	178.2	-108.7	-90.5	0	0	0	113.9	D171 L177 R620	D171-Y173 VanDerWaalsContact C-N 3.31Å; D171-Y173 PolarHBondContact O-N 2.99Å; Y173-L177 PolarHBondContact O-N 2.91Å; Y173-R620 VanDerWaalsContact OH-CZ 3.3Å; Y173-R620 PolarHBondContact OH-NH1 2.86Å; Y173-R620 PolarHBondContact OH-NH2 3.44Å
174	S	34.5	Very low	33.4	Very low	73 Å²	73	109.9 Å²	109.9	51%	0.51	59%	0.59	S	S	.	*	H	α-helix	trans	-76.9	-34.2	-177	65.1	0	0	0	0	112	D171 L177 S178	D171-S174 PolarHBondContact O-N 2.91Å; D171-S174 PolarHBondContact O-OG 2.77Å; D171-S174 VanDerWaalsContact O-OG 3.08Å; S174-L177 PolarHBondContact O-N 3.42Å; S174-S178 PolarHBondContact O-N 3.11Å; S174-S178 PolarHBondContact O-OG 3.46Å
175	C	31.6	Very low	33.2	Very low	84 Å²	84	107.1 Å²	107.1	57%	0.568	59%	0.587	S	S	*	*	H	α-helix	trans	-71.4	-28.1	173.6	-88.1	0	0	0	0	113.8	S178 S179	C175-S178 WeakPolarHBondContact CA-OG 3.19Å; C175-S178 PolarHBondContact O-OG 3.48Å; C175-S178 VanDerWaalsContact O-OG 3.13Å; C175-S179 WeakPolarHBondContact O-CB 3.41Å; C175-S179 PolarHBondContact O-N 3.33Å; C175-S179 VanDerWaalsContact O-N 3.15Å; C175-S179 PolarHBondContact O-OG 3.33Å
176	I	33.5	Very low	32.9	Very low	103 Å²	103	108.5 Å²	108.5	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-72.8	-37.7	174.5	-68.2	168.8	0	0	0	110.7	S172 S179 T180	S172-I176 WeakPolarHBondContact O-CD1 3.43Å; S172-I176 WeakPolarHBondContact O-CG1 3.32Å; I176-S179 PolarHBondContact O-OG 3.25Å; I176-T180 WeakPolarHBondContact O-CB 3.29Å; I176-T180 PolarHBondContact O-N 3.22Å; I176-T180 VanDerWaalsContact O-N 3.08Å; I176-T180 PolarHBondContact O-OG1 2.9Å
177	L	35.2	Very low	32.5	Very low	102 Å²	102	107.3 Å²	107.3	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-72.9	-33.9	175.8	-81.6	162.1	0	0	0	113.3	Y173 S174 T180 R181	Y173-L177 PolarHBondContact O-N 2.91Å; S174-L177 PolarHBondContact O-N 3.42Å; L177-T180 WeakPolarHBondContact CA-OG1 3.33Å; L177-T180 PolarHBondContact O-OG1 2.69Å; L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.35Å; L177-R181 WeakPolarHBondContact O-CG 3.47Å; L177-R181 PolarHBondContact O-N 3.33Å
178	S	32.1	Very low	32.4	Very low	66 Å²	66	109.2 Å²	109.2	46%	0.462	58%	0.582	S	S	.	*	H	α-helix	trans	-73.5	-36.9	176.7	66.4	0	0	0	0	112.5	S174 C175 S182	S174-S178 PolarHBondContact O-N 3.11Å; S174-S178 PolarHBondContact O-OG 3.46Å; C175-S178 WeakPolarHBondContact CA-OG 3.19Å; C175-S178 PolarHBondContact O-OG 3.48Å; C175-S178 VanDerWaalsContact O-OG 3.13Å; S178-S182 WeakPolarHBondContact O-CB 3.25Å; S178-S182 PolarHBondContact O-N 3.19Å; S178-S182 PolarHBondContact O-OG 3.14Å
179	S	31.3	Very low	32.3	Very low	54 Å²	54	104.6 Å²	104.6	38%	0.378	57%	0.568	S	S	.	*	H	α-helix	trans	-77	-27.3	176.8	56.1	0	0	0	0	114	C175 I176 S182 N183	C175-S179 WeakPolarHBondContact O-CB 3.41Å; C175-S179 PolarHBondContact O-N 3.33Å; C175-S179 VanDerWaalsContact O-N 3.15Å; C175-S179 PolarHBondContact O-OG 3.33Å; I176-S179 PolarHBondContact O-OG 3.25Å; S179-S182 PolarHBondContact O-OG 2.92Å; S179-N183 PolarHBondContact O-N 2.96Å; S179-N183 PolarHBondContact O-ND2 3.41Å
180	T	31.8	Very low	32.4	Very low	68 Å²	68	107 Å²	107	42%	0.417	57%	0.569	S	S	.	*	H	α-helix	trans	-74.2	-41.7	168	41.1	0	0	0	0	111.4	I176 L177 S182 N183 L184	I176-T180 WeakPolarHBondContact O-CB 3.29Å; I176-T180 PolarHBondContact O-N 3.22Å; I176-T180 VanDerWaalsContact O-N 3.08Å; I176-T180 PolarHBondContact O-OG1 2.9Å; L177-T180 WeakPolarHBondContact CA-OG1 3.33Å; L177-T180 PolarHBondContact O-OG1 2.69Å; T180-S182 PolarHBondContact O-N 3.04Å; T180-N183 PolarHBondContact O-N 2.89Å; T180-L184 WeakPolarHBondContact O-CD1 3.3Å; T180-L184 PolarHBondContact O-N 3.35Å; T180-L184 VanDerWaalsContact O-N 3.09Å
181	R	31.5	Very low	32	Very low	195 Å²	195	108.6 Å²	108.6	74%	0.736	56%	0.563	S	S	*	*	H	α-helix	trans	-63.7	-35.3	173.5	-83.2	-179.6	166.1	171.3	-2.4	113.7	L177 N183 L184 S185	L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.35Å; L177-R181 WeakPolarHBondContact O-CG 3.47Å; L177-R181 PolarHBondContact O-N 3.33Å; R181-N183 VanDerWaalsContact C-N 3.34Å; R181-L184 PolarHBondContact O-N 3.02Å; R181-S185 PolarHBondContact O-N 3.44Å
182	S	30.2	Very low	31.6	Very low	61 Å²	61	107.5 Å²	107.5	43%	0.427	56%	0.558	S	S	.	*	H	α-helix	trans	-75	-22	178.6	73	0	0	0	0	113.8	S178 S179 T180 S185	S178-S182 WeakPolarHBondContact O-CB 3.25Å; S178-S182 PolarHBondContact O-N 3.19Å; S178-S182 PolarHBondContact O-OG 3.14Å; S179-S182 PolarHBondContact O-OG 2.92Å; T180-S182 PolarHBondContact O-N 3.04Å; S182-S185 PolarHBondContact O-OG 3.19Å
183	N	32.4	Very low	31.7	Very low	102 Å²	102	108.2 Å²	108.2	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-88.3	-24.7	174.6	-76.4	-44.5	0	0	0	112.4	S179 T180 R181 S185	S179-N183 PolarHBondContact O-N 2.96Å; S179-N183 PolarHBondContact O-ND2 3.41Å; T180-N183 PolarHBondContact O-N 2.89Å; R181-N183 VanDerWaalsContact C-N 3.34Å; N183-S185 VanDerWaalsContact C-N 3.31Å
184	L	33.7	Very low	31.5	Very low	124 Å²	124	112.4 Å²	112.4	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-72.9	-18.4	172.8	-95.5	145	0	0	0	113.6	T180 R181 T682	T180-L184 WeakPolarHBondContact O-CD1 3.3Å; T180-L184 PolarHBondContact O-N 3.35Å; T180-L184 VanDerWaalsContact O-N 3.09Å; R181-L184 PolarHBondContact O-N 3.02Å; L184-T682 HydrophobicContact CD2-CG2 4.33Å
185	S	30.4	Very low	31.1	Very low	92 Å²	92	112.4 Å²	112.4	64%	0.643	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-5.1	179.7	63.2	0	0	0	0	114.8	R181 S182 N183 K187	R181-S185 PolarHBondContact O-N 3.44Å; S182-S185 PolarHBondContact O-OG 3.19Å; N183-S185 VanDerWaalsContact C-N 3.31Å; S185-K187 PolarHBondContact O-N 2.75Å
186	R	30.6	Very low	30.8	Very low	181 Å²	181	118.4 Å²	118.4	68%	0.683	59%	0.585	S	S	*	*	S	Bend	trans	-87.3	100.5	175.5	-75.6	-175.7	178.4	178.5	0.1	110.4	H188	R186-H188 PolarHBondContact O-N 3.49Å
187	K	28.1	Very low	30.6	Very low	157 Å²	157	118.3 Å²	118.3	68%	0.683	59%	0.592	S	S	*	*			trans	-51.7	96.2	166.6	-79	179.8	171.3	-179	0	110.2	G40 S185	G40-K187 PolarHBondContact O-NZ 2.94Å; S185-K187 PolarHBondContact O-N 2.75Å
188	H	32	Very low	30.2	Very low	142 Å²	142	115.9 Å²	115.9	66%	0.657	58%	0.584	S	S	*	*			trans	-87.5	127.4	161.6	-86	-65.6	0	0	0	108.7	R186 L190	R186-H188 PolarHBondContact O-N 3.49Å; H188-L190 PolarHBondContact O-N 3Å
189	N	33.4	Very low	30.3	Very low	115 Å²	115	115.7 Å²	115.7	62%	0.615	57%	0.573	S	S	*	*			trans	-49.6	123.8	179.6	-64.5	-21.3	0	0	0	111	L41 E191	L41-N189 HydrophobicContact CD1-CB 4.33Å; L41-N189 WeakPolarHBondContact CD1-OD1 3.42Å; L41-N189 WeakPolarHBondContact CD2-OD1 3.37Å; N189-E191 PolarHBondContact O-N 3.32Å
190	L	31	Very low	30.2	Very low	99 Å²	99	114.8 Å²	114.8	52%	0.518	57%	0.572	S	S	.	*			trans	-67.6	112.4	178.6	-70.4	107.9	0	0	0	110.6	L37 H188	L37-L190 HydrophobicContact CD1-CD2 4.07Å; L37-L190 HydrophobicContact CD2-CD1 3.62Å; L37-L190 HydrophobicContact CD2-CD2 3.86Å; L37-L190 HydrophobicContact CD2-CG 4.4Å; H188-L190 PolarHBondContact O-N 3Å
191	E	28.7	Very low	30.3	Very low	148 Å²	148	116.7 Å²	116.7	69%	0.692	58%	0.576	S	S	*	*			trans	-92	146.6	162.7	-78.9	-178.9	164.3	0	0	110.3	N189	N189-E191 PolarHBondContact O-N 3.32Å
192	D	28.3	Very low	30.3	Very low	94 Å²	94	110.7 Å²	110.7	50%	0.503	56%	0.559	S	S	.	*			trans	-49.1	131.4	-173.6	-174	-19.7	0	0	0	112.6	R194 V195	D192-R194 PolarHBondContact O-N 2.98Å; D192-R194 PolarHBondContact OD1-N 3.12Å; D192-V195 HydrophobicContact CB-CG2 4.05Å; D192-V195 WeakPolarHBondContact O-CA 3.39Å; D192-V195 WeakPolarHBondContact O-CB 3.42Å; D192-V195 PolarHBondContact O-N 2.95Å
193	P	33.6	Very low	30.7	Very low	77 Å²	77	109.1 Å²	109.1	50%	0.5	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	2.2	-178.8	25.9	-34.8	0	0	0	115.4	Y678	P193-Y678 HydrophobicContact CB-CE1 4.43Å
194	R	27.7	Very low	30.8	Very low	224 Å²	224	107.4 Å²	107.4	85%	0.845	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.9	164.2	-59.8	-177.9	-165.7	-177.9	5.1	113.5	D192	D192-R194 PolarHBondContact O-N 2.98Å; D192-R194 PolarHBondContact OD1-N 3.12Å
195	V	26.3	Very low	30.9	Very low	73 Å²	73	107.2 Å²	107.2	44%	0.442	53%	0.53	S	S	.	.	S	Bend	trans	-91.8	108.1	167.2	-177.8	0	0	0	0	105.1	D192 C197	D192-V195 HydrophobicContact CB-CG2 4.05Å; D192-V195 WeakPolarHBondContact O-CA 3.39Å; D192-V195 WeakPolarHBondContact O-CB 3.42Å; D192-V195 PolarHBondContact O-N 2.95Å; V195-C197 PolarHBondContact O-N 3.1Å
196	Y	25.8	Very low	31.2	Very low	209 Å²	209	106.5 Å²	106.5	82%	0.82	52%	0.518	S	S	*	.			trans	-35.5	130.8	168.3	-74	-94.4	0	0	0	108.9	S198	Y196-S198 VanDerWaalsContact C-N 3.28Å; Y196-S198 WeakPolarHBondContact O-CA 3.24Å; Y196-S198 PolarHBondContact O-N 2.9Å
197	C	28.5	Very low	31.4	Very low	101 Å²	101	99.1 Å²	99.1	68%	0.682	49%	0.491	S	S	*	.	S	Bend	trans	-39.8	105.4	163	-101.5	0	0	0	0	106.4	V195 Y199	V195-C197 PolarHBondContact O-N 3.1Å; C197-Y199 PolarHBondContact O-N 2.8Å
198	S	27.2	Very low	31.6	Very low	51 Å²	51	93.4 Å²	93.4	36%	0.357	47%	0.471	S	S	.	.			trans	-64.2	136.7	-157.8	77.2	0	0	0	0	105.8	Y196 G200 Q201	Y196-S198 VanDerWaalsContact C-N 3.28Å; Y196-S198 WeakPolarHBondContact O-CA 3.24Å; Y196-S198 PolarHBondContact O-N 2.9Å; S198-G200 PolarHBondContact O-N 2.79Å; S198-Q201 PolarHBondContact O-N 3.35Å
199	Y	33.1	Very low	31.6	Very low	63 Å²	63	91 Å²	91	25%	0.247	46%	0.457	C	S	.	.	H	α-helix	trans	-38.5	-23.5	168.9	-148.2	-117	0	0	0	111.8	C197 Q201 Y203 K224 L228	C197-Y199 PolarHBondContact O-N 2.8Å; Y199-Q201 PolarHBondContact O-N 2.9Å; Y199-Y203 AromaticContact CD1-CD2 3.39Å; Y199-Y203 HydrophobicContact CD1-CD2 3.39Å; Y199-Y203 HydrophobicContact CD1-CE1 4.43Å; Y199-Y203 AromaticContact CD1-CE2 3.05Å; Y199-Y203 HydrophobicContact CD1-CE2 3.05Å; Y199-Y203 HydrophobicContact CD1-CG 4.26Å; Y199-Y203 AromaticContact CD1-CZ 3.63Å; Y199-Y203 AromaticContact CE1-CD2 3.78Å; Y199-Y203 HydrophobicContact CE1-CD2 3.78Å; Y199-Y203 HydrophobicContact CE1-CE1 4.38Å; Y199-Y203 AromaticContact CE1-CE2 2.91Å; Y199-Y203 HydrophobicContact CE1-CE2 2.91Å; Y199-Y203 AromaticContact CE1-CZ 3.28Å; Y199-Y203 VanDerWaalsContact CE1-OH 3.26Å; Y199-Y203 WeakPolarHBondContact CE1-OH 3.36Å; Y199-Y203 HydrophobicContact CE2-CE2 4.4Å; Y199-Y203 HydrophobicContact CG-CD2 4Å; Y199-Y203 AromaticContact CG-CE2 3.96Å; Y199-Y203 HydrophobicContact CG-CE2 3.96Å; Y199-Y203 AromaticContact CZ-CE2 3.61Å; Y199-Y203 WeakPolarHBondContact O-CB 3.37Å; Y199-Y203 WeakPolarHBondContact O-CD2 3.38Å; Y199-Y203 PolarHBondContact O-N 3.42Å; Y199-K224 VanDerWaalsContact CB-NZ 3.27Å; Y199-K224 HydrophobicContact CD1-CD 3.58Å; Y199-K224 VanDerWaalsContact CD1-CE 3.41Å; Y199-K224 HydrophobicContact CD1-CG 3.62Å; Y199-K224 HydrophobicContact CE1-CG 4.08Å; Y199-K224 HydrophobicContact CG-CD 4.24Å; Y199-L228 HydrophobicContact CE1-CD1 4.21Å
200	G	30.3	Very low	31.6	Very low	34 Å²	34	88.7 Å²	88.7	35%	0.351	45%	0.45	S	S	.	.	H	α-helix	trans	-57.4	-26.3	171.2	0	0	0	0	0	118.5	S198 S204	S198-G200 PolarHBondContact O-N 2.79Å; G200-S204 WeakPolarHBondContact O-CB 3.18Å; G200-S204 PolarHBondContact O-N 3.43Å
201	Q	33	Very low	31.7	Very low	109 Å²	109	84.8 Å²	84.8	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-91.7	-30.3	177.4	-82.7	-172.7	-8.3	0	0	113.9	S198 Y199 Y203 S204 R205	S198-Q201 PolarHBondContact O-N 3.35Å; Y199-Q201 PolarHBondContact O-N 2.9Å; Q201-Y203 VanDerWaalsContact C-N 3.33Å; Q201-S204 PolarHBondContact O-OG 3.06Å; Q201-R205 PolarHBondContact O-N 2.85Å
202	L	32.8	Very low	31.8	Very low	69 Å²	69	87.1 Å²	87.1	36%	0.361	43%	0.432	S	S	.	.	H	α-helix	trans	-70.1	-36.8	165.1	-109.5	156.6	0	0	0	110.2	R205 L206 Q636	L202-R205 PolarHBondContact O-N 3.43Å; L202-L206 HydrophobicContact CD2-CD1 4.07Å; L202-L206 WeakPolarHBondContact O-CB 3.09Å; L202-L206 PolarHBondContact O-N 3.43Å; L202-Q636 WeakPolarHBondContact CD1-O 3.23Å; L202-Q636 VanDerWaalsContact CD2-O 3.28Å; L202-Q636 WeakPolarHBondContact CD2-O 3.39Å; L202-Q636 WeakPolarHBondContact CG-O 3.29Å
203	Y	38	Very low	31.8	Very low	28 Å²	28	87.1 Å²	87.1	11%	0.11	44%	0.439	C	S	.	.	H	α-helix	trans	-67	-39.3	171.5	-94	-119.8	0	0	0	113.2	Y199 Q201 R205 F207 K224	Y199-Y203 AromaticContact CD1-CD2 3.39Å; Y199-Y203 HydrophobicContact CD1-CD2 3.39Å; Y199-Y203 HydrophobicContact CD1-CE1 4.43Å; Y199-Y203 AromaticContact CD1-CE2 3.05Å; Y199-Y203 HydrophobicContact CD1-CE2 3.05Å; Y199-Y203 HydrophobicContact CD1-CG 4.26Å; Y199-Y203 AromaticContact CD1-CZ 3.63Å; Y199-Y203 AromaticContact CE1-CD2 3.78Å; Y199-Y203 HydrophobicContact CE1-CD2 3.78Å; Y199-Y203 HydrophobicContact CE1-CE1 4.38Å; Y199-Y203 AromaticContact CE1-CE2 2.91Å; Y199-Y203 HydrophobicContact CE1-CE2 2.91Å; Y199-Y203 AromaticContact CE1-CZ 3.28Å; Y199-Y203 VanDerWaalsContact CE1-OH 3.26Å; Y199-Y203 WeakPolarHBondContact CE1-OH 3.36Å; Y199-Y203 HydrophobicContact CE2-CE2 4.4Å; Y199-Y203 HydrophobicContact CG-CD2 4Å; Y199-Y203 AromaticContact CG-CE2 3.96Å; Y199-Y203 HydrophobicContact CG-CE2 3.96Å; Y199-Y203 AromaticContact CZ-CE2 3.61Å; Y199-Y203 WeakPolarHBondContact O-CB 3.37Å; Y199-Y203 WeakPolarHBondContact O-CD2 3.38Å; Y199-Y203 PolarHBondContact O-N 3.42Å; Q201-Y203 VanDerWaalsContact C-N 3.33Å; Y203-R205 PolarHBondContact O-N 3.03Å; Y203-F207 AromaticContact CD1-CD2 3.7Å; Y203-F207 HydrophobicContact CD1-CD2 3.7Å; Y203-F207 AromaticContact CD1-CE2 3.36Å; Y203-F207 HydrophobicContact CD1-CE2 3.36Å; Y203-F207 HydrophobicContact CD1-CZ 4.08Å; Y203-F207 HydrophobicContact CE1-CD2 4.2Å; Y203-F207 AromaticContact CE1-CE2 3.39Å; Y203-F207 HydrophobicContact CE1-CE2 3.39Å; Y203-F207 AromaticContact CE1-CZ 3.93Å; Y203-F207 HydrophobicContact CE1-CZ 3.93Å; Y203-F207 HydrophobicContact CG-CD2 4.25Å; Y203-F207 HydrophobicContact CG-CE2 4.24Å; Y203-F207 WeakPolarHBondContact O-CA 3.26Å; Y203-F207 WeakPolarHBondContact O-CB 3.26Å; Y203-F207 WeakPolarHBondContact O-CD2 3.32Å; Y203-F207 PolarHBondContact O-N 2.87Å; Y203-K224 HydrophobicContact CE1-CB 4.2Å
204	S	35	Very low	31.6	Very low	65 Å²	65	89.9 Å²	89.9	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-30.1	177.6	72.2	0	0	0	0	111.4	G200 Q201 S208	G200-S204 WeakPolarHBondContact O-CB 3.18Å; G200-S204 PolarHBondContact O-N 3.43Å; Q201-S204 PolarHBondContact O-OG 3.06Å; S204-S208 WeakPolarHBondContact O-CA 3.29Å; S204-S208 WeakPolarHBondContact O-CB 3.5Å; S204-S208 PolarHBondContact O-N 2.63Å; S204-S208 PolarHBondContact O-OG 3.28Å
205	R	35.4	Very low	31.5	Very low	120 Å²	120	84.4 Å²	84.4	45%	0.453	44%	0.44	S	S	.	.	H	α-helix	trans	-84	-42.9	177.1	-70.8	-172.4	176.4	175.5	2.5	113.6	Q201 L202 Y203 S208 Y209 Y637	Q201-R205 PolarHBondContact O-N 2.85Å; L202-R205 PolarHBondContact O-N 3.43Å; Y203-R205 PolarHBondContact O-N 3.03Å; R205-S208 WeakPolarHBondContact CA-OG 3.41Å; R205-S208 PolarHBondContact O-N 3.18Å; R205-S208 PolarHBondContact O-OG 2.96Å; R205-Y209 WeakPolarHBondContact O-CD2 3.48Å; R205-Y209 PolarHBondContact O-N 3.47Å; R205-Y637 PolarHBondContact NH1-OH 2.92Å
206	L	35.7	Very low	31.7	Very low	77 Å²	77	86 Å²	86	40%	0.403	45%	0.45	S	S	.	.	H	α-helix	trans	-67.7	-35.5	173.7	-82.2	155.8	0	0	0	112.7	N152 L202 S210	N152-L206 WeakPolarHBondContact ND2-CD2 3.08Å; L202-L206 HydrophobicContact CD2-CD1 4.07Å; L202-L206 WeakPolarHBondContact O-CB 3.09Å; L202-L206 PolarHBondContact O-N 3.43Å; L206-S210 PolarHBondContact O-OG 3.41Å; L206-S210 VanDerWaalsContact O-OG 3.13Å
207	F	36.3	Very low	32.3	Very low	26 Å²	26	82.1 Å²	82.1	11%	0.114	45%	0.448	C	S	.	.	H	α-helix	trans	-78.5	-34.5	171.9	-79.5	-121.9	0	0	0	111.5	R116 Y203 Y209 S210 L211 T220	R116-F207 VanDerWaalsContact NH2-CD1 3.25Å; Y203-F207 AromaticContact CD1-CD2 3.7Å; Y203-F207 HydrophobicContact CD1-CD2 3.7Å; Y203-F207 AromaticContact CD1-CE2 3.36Å; Y203-F207 HydrophobicContact CD1-CE2 3.36Å; Y203-F207 HydrophobicContact CD1-CZ 4.08Å; Y203-F207 HydrophobicContact CE1-CD2 4.2Å; Y203-F207 AromaticContact CE1-CE2 3.39Å; Y203-F207 HydrophobicContact CE1-CE2 3.39Å; Y203-F207 AromaticContact CE1-CZ 3.93Å; Y203-F207 HydrophobicContact CE1-CZ 3.93Å; Y203-F207 HydrophobicContact CG-CD2 4.25Å; Y203-F207 HydrophobicContact CG-CE2 4.24Å; Y203-F207 WeakPolarHBondContact O-CA 3.26Å; Y203-F207 WeakPolarHBondContact O-CB 3.26Å; Y203-F207 WeakPolarHBondContact O-CD2 3.32Å; Y203-F207 PolarHBondContact O-N 2.87Å; F207-Y209 PolarHBondContact O-N 3.24Å; F207-Y209 VanDerWaalsContact O-N 3.1Å; F207-S210 PolarHBondContact O-N 3.09Å; F207-L211 HydrophobicContact CB-CD1 3.54Å; F207-L211 HydrophobicContact CD1-CD1 3.11Å; F207-L211 HydrophobicContact CE1-CD1 3.9Å; F207-L211 HydrophobicContact CG-CD1 3.58Å; F207-L211 WeakPolarHBondContact O-CA 3.01Å; F207-L211 WeakPolarHBondContact O-CB 3.19Å; F207-L211 WeakPolarHBondContact O-CD1 3.37Å; F207-L211 PolarHBondContact O-N 2.95Å; F207-T220 HydrophobicContact CD1-CG2 4.41Å
208	S	32.1	Very low	32.6	Very low	38 Å²	38	84.1 Å²	84.1	27%	0.266	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-18.7	178.4	65.1	0	0	0	0	114.7	S204 R205 R212	S204-S208 WeakPolarHBondContact O-CA 3.29Å; S204-S208 WeakPolarHBondContact O-CB 3.5Å; S204-S208 PolarHBondContact O-N 2.63Å; S204-S208 PolarHBondContact O-OG 3.28Å; R205-S208 WeakPolarHBondContact CA-OG 3.41Å; R205-S208 PolarHBondContact O-N 3.18Å; R205-S208 PolarHBondContact O-OG 2.96Å; S208-R212 WeakPolarHBondContact O-CB 3.48Å; S208-R212 VanDerWaalsContact O-CD 3.31Å; S208-R212 WeakPolarHBondContact O-CD 3.46Å; S208-R212 WeakPolarHBondContact O-CG 3.39Å; S208-R212 PolarHBondContact O-N 2.9Å
209	Y	31.2	Very low	33	Very low	91 Å²	91	88 Å²	88	36%	0.357	46%	0.464	S	S	.	.	H	α-helix	trans	-98.7	-30.1	-179.5	-86.5	-97.4	0	0	0	114.2	Y155 R205 F207	Y155-Y209 HydrophobicContact CD2-CD1 4.22Å; Y155-Y209 AromaticContact CD2-CD2 3.94Å; Y155-Y209 HydrophobicContact CD2-CD2 3.94Å; Y155-Y209 HydrophobicContact CD2-CE1 4.38Å; Y155-Y209 HydrophobicContact CD2-CE2 4.11Å; Y155-Y209 AromaticContact CD2-CG 3.97Å; Y155-Y209 HydrophobicContact CD2-CG 3.97Å; Y155-Y209 HydrophobicContact CE2-CD1 4.02Å; Y155-Y209 AromaticContact CE2-CD2 3.23Å; Y155-Y209 HydrophobicContact CE2-CD2 3.23Å; Y155-Y209 AromaticContact CE2-CE1 3.88Å; Y155-Y209 HydrophobicContact CE2-CE1 3.88Å; Y155-Y209 AromaticContact CE2-CE2 3.06Å; Y155-Y209 HydrophobicContact CE2-CE2 3.06Å; Y155-Y209 AromaticContact CE2-CG 3.7Å; Y155-Y209 HydrophobicContact CE2-CG 3.7Å; Y155-Y209 AromaticContact CE2-CZ 3.39Å; Y155-Y209 AromaticContact CZ-CE2 3.39Å; Y155-Y209 AromaticContact CZ-CZ 3.38Å; Y155-Y209 WeakPolarHBondContact OH-CE2 3.39Å; Y155-Y209 PolarHBondContact OH-OH 3.06Å; R205-Y209 WeakPolarHBondContact O-CD2 3.48Å; R205-Y209 PolarHBondContact O-N 3.47Å; F207-Y209 PolarHBondContact O-N 3.24Å; F207-Y209 VanDerWaalsContact O-N 3.1Å
210	S	33.5	Very low	33.2	Very low	67 Å²	67	88 Å²	88	47%	0.469	47%	0.471	S	S	.	.	H	α-helix	trans	-86.3	-13.1	170.7	55.1	0	0	0	0	113.2	L206 F207	L206-S210 PolarHBondContact O-OG 3.41Å; L206-S210 VanDerWaalsContact O-OG 3.13Å; F207-S210 PolarHBondContact O-N 3.09Å
211	L	33.4	Very low	33.7	Very low	17 Å²	17	90.1 Å²	90.1	9%	0.089	48%	0.479	C	S	.	.			trans	-133.8	23.5	-171.9	-62.6	141.7	0	0	0	115	F207 S213 F214	F207-L211 HydrophobicContact CB-CD1 3.54Å; F207-L211 HydrophobicContact CD1-CD1 3.11Å; F207-L211 HydrophobicContact CE1-CD1 3.9Å; F207-L211 HydrophobicContact CG-CD1 3.58Å; F207-L211 WeakPolarHBondContact O-CA 3.01Å; F207-L211 WeakPolarHBondContact O-CB 3.19Å; F207-L211 WeakPolarHBondContact O-CD1 3.37Å; F207-L211 PolarHBondContact O-N 2.95Å; L211-S213 PolarHBondContact O-N 3.16Å; L211-F214 HydrophobicContact CB-CB 4.15Å; L211-F214 HydrophobicContact CB-CD2 4.45Å; L211-F214 HydrophobicContact CD2-CB 3.7Å; L211-F214 HydrophobicContact CD2-CD2 3.43Å; L211-F214 VanDerWaalsContact CD2-CD2 3.43Å; L211-F214 HydrophobicContact CD2-CE2 4.16Å; L211-F214 HydrophobicContact CD2-CG 3.7Å; L211-F214 PolarHBondContact O-N 3.45Å
212	R	30.1	Very low	34.1	Very low	197 Å²	197	89.7 Å²	89.7	74%	0.743	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.5	167.6	-112	168.6	-169.1	-166	4.8	113.5	S208	S208-R212 WeakPolarHBondContact O-CB 3.48Å; S208-R212 VanDerWaalsContact O-CD 3.31Å; S208-R212 WeakPolarHBondContact O-CD 3.46Å; S208-R212 WeakPolarHBondContact O-CG 3.39Å; S208-R212 PolarHBondContact O-N 2.9Å
213	S	30	Very low	34.7	Very low	93 Å²	93	87.4 Å²	87.4	65%	0.65	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	2.1	164.6	53.7	0	0	0	0	115.2	L211	L211-S213 PolarHBondContact O-N 3.16Å
214	F	28.2	Very low	34.8	Very low	136 Å²	136	88.2 Å²	88.2	60%	0.596	47%	0.473	S	S	*	.			trans	-131.4	87.8	-173.7	-67.4	-91.4	0	0	0	111.9	L211 T216	L211-F214 HydrophobicContact CB-CB 4.15Å; L211-F214 HydrophobicContact CB-CD2 4.45Å; L211-F214 HydrophobicContact CD2-CB 3.7Å; L211-F214 HydrophobicContact CD2-CD2 3.43Å; L211-F214 VanDerWaalsContact CD2-CD2 3.43Å; L211-F214 HydrophobicContact CD2-CE2 4.16Å; L211-F214 HydrophobicContact CD2-CG 3.7Å; L211-F214 PolarHBondContact O-N 3.45Å; F214-T216 PolarHBondContact O-N 3.31Å
215	S	25.8	Very low	35.2	Very low	109 Å²	109	89.9 Å²	89.9	76%	0.762	48%	0.477	S	S	*	.			trans	-71.1	114.1	170.4	52.6	0	0	0	0	111.6
216	T	31.3	Very low	35.8	Very low	106 Å²	106	89.7 Å²	89.7	65%	0.65	48%	0.479	S	S	*	.			trans	168.9	117.7	139.9	39.5	0	0	0	0	109.9	F214 N218	F214-T216 PolarHBondContact O-N 3.31Å; T216-N218 VanDerWaalsContact C-N 3.28Å; T216-N218 PolarHBondContact O-N 3.05Å
217	V	38.3	Very low	36.4	Very low	128 Å²	128	86.4 Å²	86.4	78%	0.776	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.2	-162.1	174.2	0	0	0	0	114.4
218	N	33.8	Very low	36.9	Very low	143 Å²	143	88.4 Å²	88.4	77%	0.765	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.2	-170.8	-71	-10.7	0	0	0	116	T216	T216-N218 VanDerWaalsContact C-N 3.28Å; T216-N218 PolarHBondContact O-N 3.05Å
219	H	35.8	Very low	37.8	Very low	133 Å²	133	91 Å²	91	62%	0.616	49%	0.492	S	S	*	.	S	Bend	trans	-101.2	-5.2	-174	-77.4	-57.8	0	0	0	116
220	T	37.7	Very low	39	Very low	63 Å²	63	87.5 Å²	87.5	39%	0.387	48%	0.478	S	S	.	.	H	α-helix	trans	-80.8	-35.3	-166.5	50.4	0	0	0	0	114.3	F207 K224	F207-T220 HydrophobicContact CD1-CG2 4.41Å; T220-K224 PolarHBondContact O-N 3.18Å
221	S	39.6	Very low	40	Very low	77 Å²	77	86.1 Å²	86.1	54%	0.538	46%	0.464	S	S	.	.	H	α-helix	trans	-69.5	-41.7	178.8	55	0	0	0	0	112.7	L223 K224 D225	S221-L223 PolarHBondContact O-N 2.95Å; S221-K224 WeakPolarHBondContact O-CB 3.44Å; S221-K224 PolarHBondContact O-N 2.96Å; S221-D225 PolarHBondContact O-N 3.5Å
222	N	42.5	Very low	40.9	Very low	100 Å²	100	88.7 Å²	88.7	54%	0.535	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-24.9	179.9	-115.5	-26.3	0	0	0	113.4	K226	N222-K226 WeakPolarHBondContact O-CB 3.38Å; N222-K226 WeakPolarHBondContact O-CD 2.82Å; N222-K226 WeakPolarHBondContact O-CE 3.16Å; N222-K226 WeakPolarHBondContact O-CG 3.31Å
223	L	44.4	Very low	41.9	Very low	22 Å²	22	82.5 Å²	82.5	12%	0.115	45%	0.453	C	S	.	.	H	α-helix	trans	-83.7	-34.2	-179.4	-151.5	151	0	0	0	111.1	I115 S221 L227	I115-L223 HydrophobicContact CB-CD1 4.41Å; I115-L223 HydrophobicContact CB-CD2 4.4Å; I115-L223 HydrophobicContact CD1-CD2 3.7Å; I115-L223 HydrophobicContact CD1-CG 4.36Å; I115-L223 HydrophobicContact CG2-CD1 3.59Å; I115-L223 HydrophobicContact CG2-CD2 4.11Å; I115-L223 HydrophobicContact CG2-CG 3.72Å; S221-L223 PolarHBondContact O-N 2.95Å; L223-L227 HydrophobicContact CD2-CD1 3.66Å; L223-L227 HydrophobicContact CD2-CG 4.17Å; L223-L227 WeakPolarHBondContact O-CG 3.32Å; L223-L227 PolarHBondContact O-N 2.83Å
224	K	40.6	Very low	43.1	Very low	45 Å²	45	79.4 Å²	79.4	20%	0.196	43%	0.428	C	S	.	.	H	α-helix	trans	-60.6	-56.3	176.3	170.3	-169.4	163	-168.7	0	112.5	Y199 Y203 T220 S221 K226 L227 L228	Y199-K224 VanDerWaalsContact CB-NZ 3.27Å; Y199-K224 HydrophobicContact CD1-CD 3.58Å; Y199-K224 VanDerWaalsContact CD1-CE 3.41Å; Y199-K224 HydrophobicContact CD1-CG 3.62Å; Y199-K224 HydrophobicContact CE1-CG 4.08Å; Y199-K224 HydrophobicContact CG-CD 4.24Å; Y203-K224 HydrophobicContact CE1-CB 4.2Å; T220-K224 PolarHBondContact O-N 3.18Å; S221-K224 WeakPolarHBondContact O-CB 3.44Å; S221-K224 PolarHBondContact O-N 2.96Å; K224-K226 PolarHBondContact O-N 3.29Å; K224-L227 PolarHBondContact O-N 2.75Å; K224-L228 HydrophobicContact CG-CD1 4.15Å; K224-L228 PolarHBondContact O-N 3.03Å
225	D	44.2	Very low	44.2	Very low	99 Å²	99	75.6 Å²	75.6	53%	0.529	42%	0.419	S	S	.	.	H	α-helix	trans	-66.8	-31.6	-176.5	-63.9	-23.1	0	0	0	110.9	S221 L227 S229	S221-D225 PolarHBondContact O-N 3.5Å; D225-L227 VanDerWaalsContact C-N 3.34Å; D225-L227 PolarHBondContact O-N 3.34Å; D225-S229 WeakPolarHBondContact O-CB 3.48Å; D225-S229 PolarHBondContact O-N 2.85Å; D225-S229 PolarHBondContact O-OG 3.43Å
226	K	47.6	Very low	45.5	Very low	116 Å²	116	71 Å²	71	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-32.3	171.2	-75.5	176.6	-167.4	174.8	0	113.6	N222 K224 S229 K230	N222-K226 WeakPolarHBondContact O-CB 3.38Å; N222-K226 WeakPolarHBondContact O-CD 2.82Å; N222-K226 WeakPolarHBondContact O-CE 3.16Å; N222-K226 WeakPolarHBondContact O-CG 3.31Å; K224-K226 PolarHBondContact O-N 3.29Å; K226-S229 PolarHBondContact O-OG 3.21Å; K226-S229 VanDerWaalsContact O-OG 3.06Å; K226-K230 WeakPolarHBondContact O-CD 3.34Å; K226-K230 WeakPolarHBondContact O-CG 3.46Å
227	L	48.5	Very low	46.6	Very low	9 Å²	9	72.8 Å²	72.8	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-78.8	-42.4	176.8	-81.2	170.6	0	0	0	111.5	V111 I115 L223 K224 D225 S229 K230 F231	V111-L227 HydrophobicContact CB-CD2 4.36Å; V111-L227 HydrophobicContact CG1-CD2 3.44Å; V111-L227 VanDerWaalsContact CG1-CD2 3.44Å; I115-L227 HydrophobicContact CD1-CD1 4.28Å; I115-L227 HydrophobicContact CD1-CD2 3.5Å; I115-L227 VanDerWaalsContact CD1-CD2 3.5Å; I115-L227 HydrophobicContact CD1-CG 3.8Å; L223-L227 HydrophobicContact CD2-CD1 3.66Å; L223-L227 HydrophobicContact CD2-CG 4.17Å; L223-L227 WeakPolarHBondContact O-CG 3.32Å; L223-L227 PolarHBondContact O-N 2.83Å; K224-L227 PolarHBondContact O-N 2.75Å; D225-L227 VanDerWaalsContact C-N 3.34Å; D225-L227 PolarHBondContact O-N 3.34Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 3.34Å; L227-K230 VanDerWaalsContact O-CB 3.32Å; L227-K230 WeakPolarHBondContact O-CB 3.29Å; L227-K230 PolarHBondContact O-N 3.12Å; L227-K230 VanDerWaalsContact O-N 3.11Å; L227-F231 VanDerWaalsContact O-CD2 3.26Å; L227-F231 WeakPolarHBondContact O-CD2 3.29Å
228	L	45.5	Very low	47.3	Very low	67 Å²	67	72.2 Å²	72.2	35%	0.351	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-36.1	179.1	-73.7	166.9	0	0	0	112.3	Y199 K224 K230 F231	Y199-L228 HydrophobicContact CE1-CD1 4.21Å; K224-L228 HydrophobicContact CG-CD1 4.15Å; K224-L228 PolarHBondContact O-N 3.03Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-K230 VanDerWaalsContact O-N 3.14Å; L228-F231 PolarHBondContact O-N 3.48Å
229	S	51.1	Low	48.1	Very low	93 Å²	93	72.4 Å²	72.4	65%	0.65	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-10.8	174.8	66.3	0	0	0	0	113.9	D225 K226 L227	D225-S229 WeakPolarHBondContact O-CB 3.48Å; D225-S229 PolarHBondContact O-N 2.85Å; D225-S229 PolarHBondContact O-OG 3.43Å; K226-S229 PolarHBondContact O-OG 3.21Å; K226-S229 VanDerWaalsContact O-OG 3.06Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 3.34Å
230	K	56.6	Low	49	Very low	17 Å²	17	70.8 Å²	70.8	7%	0.074	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-13	-176.1	-74.3	171.6	166.4	-163.9	0	113.6	I124 K125 T127 D128 L129 K226 L227 L228	I124-K230 PolarHBondContact O-NZ 3.34Å; K125-K230 WeakPolarHBondContact O-CE 3.45Å; T127-K230 WeakPolarHBondContact O-CB 3.37Å; T127-K230 WeakPolarHBondContact O-CD 3.28Å; T127-K230 WeakPolarHBondContact O-CG 3.34Å; T127-K230 WeakPolarHBondContact OG1-CD 3.43Å; T127-K230 WeakPolarHBondContact OG1-CE 3.29Å; T127-K230 PolarHBondContact OG1-NZ 2.94Å; D128-K230 CarbonylContact C-O 3.55Å; D128-K230 VanDerWaalsContact CA-O 3.29Å; D128-K230 WeakPolarHBondContact CA-O 3.31Å; L129-K230 PolarHBondContact N-O 3.48Å; K226-K230 WeakPolarHBondContact O-CD 3.34Å; K226-K230 WeakPolarHBondContact O-CG 3.46Å; L227-K230 VanDerWaalsContact O-CB 3.32Å; L227-K230 WeakPolarHBondContact O-CB 3.29Å; L227-K230 PolarHBondContact O-N 3.12Å; L227-K230 VanDerWaalsContact O-N 3.11Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-K230 VanDerWaalsContact O-N 3.14Å
231	F	54.6	Low	49.7	Very low	39 Å²	39	68.9 Å²	68.9	17%	0.171	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.7	-180	-79	-90.2	0	0	0	111.6	L129 L147 L227 L228 Y233	L129-F231 HydrophobicContact CB-CD1 3.42Å; L129-F231 VanDerWaalsContact CB-CD1 3.42Å; L129-F231 HydrophobicContact CB-CD2 4.33Å; L129-F231 HydrophobicContact CB-CE1 3.5Å; L129-F231 VanDerWaalsContact CB-CE1 3.5Å; L129-F231 HydrophobicContact CB-CE2 4.39Å; L129-F231 HydrophobicContact CB-CG 3.89Å; L129-F231 HydrophobicContact CB-CZ 4.02Å; L129-F231 HydrophobicContact CD1-CD1 4.27Å; L129-F231 HydrophobicContact CD1-CD2 4.09Å; L129-F231 HydrophobicContact CD1-CE1 3.7Å; L129-F231 HydrophobicContact CD1-CE2 3.48Å; L129-F231 VanDerWaalsContact CD1-CE2 3.48Å; L129-F231 HydrophobicContact CD1-CG 4.46Å; L129-F231 HydrophobicContact CD1-CZ 3.28Å; L129-F231 HydrophobicContact CG-CD1 4.44Å; L129-F231 HydrophobicContact CG-CE1 4.12Å; L129-F231 HydrophobicContact CG-CZ 4.2Å; L129-F231 CarbonylContact O-C 3.54Å; L129-F231 VanDerWaalsContact O-CA 3.24Å; L129-F231 WeakPolarHBondContact O-CA 3.42Å; L147-F231 HydrophobicContact CD1-CD1 4.11Å; L147-F231 HydrophobicContact CD1-CE1 3.8Å; L147-F231 HydrophobicContact CD1-CZ 4Å; L227-F231 VanDerWaalsContact O-CD2 3.26Å; L227-F231 WeakPolarHBondContact O-CD2 3.29Å; L228-F231 PolarHBondContact O-N 3.48Å; F231-Y233 HydrophobicContact CB-CE1 4.43Å; F231-Y233 HydrophobicContact CB-CE2 3.84Å
232	Q	53	Low	50.6	Low	71 Å²	71	66.9 Å²	66.9	33%	0.332	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.9	170.4	-63.3	-178.2	13.2	0	0	109.5	D128 L129 I130 L131	D128-Q232 PolarHBondContact OD2-NE2 3.08Å; L129-Q232 PolarHBondContact O-N 3.02Å; I130-Q232 WeakPolarHBondContact CA-O 3.27Å; I130-Q232 HydrophobicContact CG1-CB 4.25Å; L131-Q232 PolarHBondContact N-O 3.28Å
233	Y	51.5	Low	51.7	Low	66 Å²	66	63.2 Å²	63.2	26%	0.259	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.4	-172.6	-61	-77.4	0	0	0	111.1	L131 L143 N144 F231	L131-Y233 HydrophobicContact CB-CD1 4.37Å; L131-Y233 HydrophobicContact CD2-CE1 4.42Å; L143-Y233 HydrophobicContact CB-CD1 3.85Å; L143-Y233 HydrophobicContact CB-CE1 3.69Å; L143-Y233 HydrophobicContact CD2-CE1 4.5Å; N144-Y233 PolarHBondContact OD1-OH 3Å; F231-Y233 HydrophobicContact CB-CE1 4.43Å; F231-Y233 HydrophobicContact CB-CE2 3.84Å
234	I	54.4	Low	52.8	Low	28 Å²	28	62.2 Å²	62.2	14%	0.144	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	119.2	-178.8	-45.4	156.4	0	0	0	108.8	I130 L131 V132 Y133 V247 T251	I130-I234 HydrophobicContact CG2-CD1 3.36Å; I130-I234 HydrophobicContact CG2-CG1 4.29Å; L131-I234 PolarHBondContact O-N 3.01Å; V132-I234 WeakPolarHBondContact CA-O 3.29Å; V132-I234 HydrophobicContact CG2-CB 4.5Å; V132-I234 HydrophobicContact CG2-CD1 4.01Å; Y133-I234 PolarHBondContact N-O 3.16Å; I234-V247 HydrophobicContact CB-CG1 4.43Å; I234-V247 HydrophobicContact CG2-CG1 3.44Å; I234-V247 VanDerWaalsContact CG2-CG1 3.44Å; I234-T251 HydrophobicContact CD1-CG2 3.22Å; I234-T251 WeakPolarHBondContact CD1-OG1 3.12Å; I234-T251 HydrophobicContact CG1-CG2 3.92Å
235	S	51.2	Low	54.4	Low	57 Å²	57	60.1 Å²	60.1	40%	0.399	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.9	173.7	65.7	0	0	0	0	109.9	Y133	Y133-S235 WeakPolarHBondContact O-CA 3.41Å
236	S	52.7	Low	55.9	Low	11 Å²	11	56.8 Å²	56.8	8%	0.077	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.3	171.3	-173.3	0	0	0	0	110.5	Y133 T134 K135 K238 L244	Y133-S236 PolarHBondContact O-N 3.5Å; T134-S236 CarbonylContact C-O 3.54Å; T134-S236 WeakPolarHBondContact CA-O 3.38Å; K135-S236 PolarHBondContact N-O 3.16Å; S236-K238 VanDerWaalsContact C-N 3.28Å; S236-K238 PolarHBondContact OG-N 2.87Å; S236-L244 VanDerWaalsContact CB-CD2 3.48Å
237	E	55.2	Low	57.1	Low	144 Å²	144	53 Å²	53	67%	0.673	28%	0.275	S	S	*	.			trans	-83.4	-4.2	174.1	-67.7	-173.2	166	0	0	113	K135	K135-E237 HydrophobicContact CB-CG 4.35Å; K135-E237 HydrophobicContact CD-CG 4.03Å; K135-E237 IonicContact NZ-OE1 3.87Å; K135-E237 PolarHBondContact NZ-OE1 3.38Å
238	K	53.7	Low	58.2	Low	116 Å²	116	52.5 Å²	52.5	50%	0.504	27%	0.273	S	S	.	.			trans	-83.7	142.9	-177.4	-60.1	-168.3	-178.9	-174.8	0	112.1	T134 S236 D243	T134-K238 WeakPolarHBondContact CG2-O 3.29Å; S236-K238 VanDerWaalsContact C-N 3.28Å; S236-K238 PolarHBondContact OG-N 2.87Å; K238-D243 HydrophobicContact CB-CB 4.26Å; K238-D243 HydrophobicContact CD-CB 3.97Å; K238-D243 WeakPolarHBondContact CD-OD2 3.37Å; K238-D243 VanDerWaalsContact NZ-CG 3.34Å; K238-D243 IonicContact NZ-OD1 3.78Å; K238-D243 PolarHBondContact NZ-OD1 2.98Å; K238-D243 IonicContact NZ-OD2 3.42Å; K238-D243 PolarHBondContact NZ-OD2 3.07Å
239	E	48.9	Very low	59.7	Low	147 Å²	147	49.7 Å²	49.7	69%	0.687	26%	0.258	S	S	*	.			trans	-79	-21.3	-176.1	-66.1	-178.5	166.1	0	0	113.5	H68	H68-E239 PolarHBondContact NE2-O 3.26Å
240	D	54.7	Low	60.9	Low	100 Å²	100	48.2 Å²	48.2	54%	0.535	24%	0.24	S	C	.	.			trans	-83.5	127.3	-173.6	-64.5	-22.8	0	0	0	112.6	S242 D243	D240-S242 PolarHBondContact O-N 3.08Å; D240-D243 WeakPolarHBondContact O-CB 3.39Å; D240-D243 PolarHBondContact O-N 2.89Å; D240-D243 VanDerWaalsContact O-N 3.1Å
241	C	53.9	Low	61.5	Low	23 Å²	23	49 Å²	49	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-56.9	-35.6	178.4	-63.7	0	0	0	0	112.9	H68 D243 L244 L245	H68-C241 PolarHBondContact CE1-SG 3.02Å; H68-C241 PolarHBondContact ND1-SG 2.64Å; C241-D243 PolarHBondContact O-N 3.23Å; C241-L244 WeakPolarHBondContact O-CB 3.45Å; C241-L244 PolarHBondContact O-N 2.82Å; C241-L244 VanDerWaalsContact O-N 3.1Å; C241-L245 PolarHBondContact O-N 3.19Å
242	S	57.7	Low	62.4	Low	34 Å²	34	47.2 Å²	47.2	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-35	179.3	50	0	0	0	0	111.9	D240 L244 E246 L344	D240-S242 PolarHBondContact O-N 3.08Å; S242-L244 VanDerWaalsContact C-N 3.35Å; S242-E246 PolarHBondContact O-N 3.2Å; S242-L344 WeakPolarHBondContact CA-O 3.33Å; S242-L344 WeakPolarHBondContact CB-O 3.4Å
243	D	66.2	Low	63.4	Low	24 Å²	24	44.1 Å²	44.1	13%	0.128	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-32.9	176.7	-82.3	-59.7	0	0	0	111.7	K238 D240 C241 E246 V247	K238-D243 HydrophobicContact CB-CB 4.26Å; K238-D243 HydrophobicContact CD-CB 3.97Å; K238-D243 WeakPolarHBondContact CD-OD2 3.37Å; K238-D243 VanDerWaalsContact NZ-CG 3.34Å; K238-D243 IonicContact NZ-OD1 3.78Å; K238-D243 PolarHBondContact NZ-OD1 2.98Å; K238-D243 IonicContact NZ-OD2 3.42Å; K238-D243 PolarHBondContact NZ-OD2 3.07Å; D240-D243 WeakPolarHBondContact O-CB 3.39Å; D240-D243 PolarHBondContact O-N 2.89Å; D240-D243 VanDerWaalsContact O-N 3.1Å; C241-D243 PolarHBondContact O-N 3.23Å; D243-E246 PolarHBondContact O-N 3.43Å; D243-V247 VanDerWaalsContact O-CB 3.27Å; D243-V247 WeakPolarHBondContact O-CB 3.43Å; D243-V247 WeakPolarHBondContact O-CG2 2.98Å; D243-V247 PolarHBondContact O-N 3.02Å
244	L	67.5	Low	64.5	Low	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-43.9	178.5	-74.2	-159.8	0	0	0	112.1	I66 H68 V132 T134 S236 C241 S242 E246 V247 G248	I66-L244 HydrophobicContact CG2-CB 4Å; I66-L244 HydrophobicContact CG2-CD1 4Å; H68-L244 HydrophobicContact CB-CD1 3.97Å; V132-L244 HydrophobicContact CG1-CB 4.15Å; V132-L244 HydrophobicContact CG1-CD2 3.99Å; V132-L244 HydrophobicContact CG1-CG 4.5Å; V132-L244 WeakPolarHBondContact CG1-O 3.19Å; T134-L244 HydrophobicContact CG2-CD1 3.9Å; T134-L244 HydrophobicContact CG2-CD2 3.7Å; T134-L244 HydrophobicContact CG2-CG 3.86Å; S236-L244 VanDerWaalsContact CB-CD2 3.48Å; C241-L244 WeakPolarHBondContact O-CB 3.45Å; C241-L244 PolarHBondContact O-N 2.82Å; C241-L244 VanDerWaalsContact O-N 3.1Å; S242-L244 VanDerWaalsContact C-N 3.35Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-V247 PolarHBondContact O-N 3.21Å; L244-G248 PolarHBondContact O-N 2.88Å
245	L	74.4	Confident	65.2	Low	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-46.1	176.6	177.5	66.5	0	0	0	110.8	I66 C241 V247 G248 L249 L262 L344 W346	I66-L245 HydrophobicContact CD1-CB 4.09Å; I66-L245 HydrophobicContact CD1-CD1 3.44Å; I66-L245 VanDerWaalsContact CD1-CD1 3.44Å; I66-L245 HydrophobicContact CD1-CG 4.38Å; C241-L245 PolarHBondContact O-N 3.19Å; L245-V247 VanDerWaalsContact C-N 3.34Å; L245-V247 PolarHBondContact O-N 3.46Å; L245-G248 PolarHBondContact O-N 3.3Å; L245-L249 HydrophobicContact CD1-CD1 3.95Å; L245-L249 HydrophobicContact CD1-CG 4.18Å; L245-L249 HydrophobicContact CG-CD1 3.92Å; L245-L249 WeakPolarHBondContact O-CB 3.1Å; L245-L249 WeakPolarHBondContact O-CG 3.34Å; L245-L249 PolarHBondContact O-N 3.09Å; L245-L262 HydrophobicContact CD1-CD2 3.61Å; L245-L344 HydrophobicContact CD2-CD2 3.27Å; L245-L344 HydrophobicContact CD2-CG 3.92Å; L245-W346 HydrophobicContact CD1-CD2 4.2Å; L245-W346 HydrophobicContact CD1-CE3 3.57Å; L245-W346 HydrophobicContact CD1-CZ3 3.76Å; L245-W346 HydrophobicContact CD2-CE3 3.8Å; L245-W346 HydrophobicContact CD2-CZ3 4.34Å; L245-W346 HydrophobicContact CG-CE3 4.25Å
246	E	75.8	Confident	66.1	Low	30 Å²	30	48.7 Å²	48.7	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-44.4	175.2	179.1	172.7	173.2	0	0	111.8	S242 D243 L244 K250 I337 C341	S242-E246 PolarHBondContact O-N 3.2Å; D243-E246 PolarHBondContact O-N 3.43Å; L244-E246 VanDerWaalsContact C-N 3.34Å; E246-K250 HydrophobicContact CG-CD 4.01Å; E246-K250 HydrophobicContact CG-CG 4.45Å; E246-K250 VanDerWaalsContact O-CB 3.23Å; E246-K250 WeakPolarHBondContact O-CB 3.29Å; E246-K250 VanDerWaalsContact O-CG 3.23Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.34Å; E246-K250 WeakPolarHBondContact OE1-CE 3.25Å; E246-K250 IonicContact OE1-NZ 2.94Å; E246-K250 PolarHBondContact OE1-NZ 3.35Å; E246-I337 HydrophobicContact CG-CG2 4Å; E246-C341 HydrophobicContact CB-CB 4.23Å
247	V	71.5	Confident	67	Low	35 Å²	35	48.3 Å²	48.3	21%	0.212	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-43.8	177.2	166.8	0	0	0	0	111.2	V132 I234 D243 L244 L245 T251	V132-V247 HydrophobicContact CG1-CG1 4.19Å; I234-V247 HydrophobicContact CB-CG1 4.43Å; I234-V247 HydrophobicContact CG2-CG1 3.44Å; I234-V247 VanDerWaalsContact CG2-CG1 3.44Å; D243-V247 VanDerWaalsContact O-CB 3.27Å; D243-V247 WeakPolarHBondContact O-CB 3.43Å; D243-V247 WeakPolarHBondContact O-CG2 2.98Å; D243-V247 PolarHBondContact O-N 3.02Å; L244-V247 PolarHBondContact O-N 3.21Å; L245-V247 VanDerWaalsContact C-N 3.34Å; L245-V247 PolarHBondContact O-N 3.46Å; V247-T251 WeakPolarHBondContact O-CB 3.42Å; V247-T251 PolarHBondContact O-N 2.94Å; V247-T251 PolarHBondContact O-OG1 3.41Å
248	G	71.6	Confident	67.8	Low	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-50.3	178.3	0	0	0	0	0	112.7	V132 L244 L245 T251 A252	V132-G248 VanDerWaalsContact CG2-CA 3.45Å; L244-G248 PolarHBondContact O-N 2.88Å; L245-G248 PolarHBondContact O-N 3.3Å; G248-T251 PolarHBondContact O-N 3.27Å; G248-A252 WeakPolarHBondContact O-CB 3.46Å; G248-A252 PolarHBondContact O-N 3.41Å
249	L	76.7	Confident	68.9	Low	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-47.3	177.6	-77	172.3	0	0	0	112.1	L245 T251 A252 L253 L262 F325 L327 I337	L245-L249 HydrophobicContact CD1-CD1 3.95Å; L245-L249 HydrophobicContact CD1-CG 4.18Å; L245-L249 HydrophobicContact CG-CD1 3.92Å; L245-L249 WeakPolarHBondContact O-CB 3.1Å; L245-L249 WeakPolarHBondContact O-CG 3.34Å; L245-L249 PolarHBondContact O-N 3.09Å; L249-T251 PolarHBondContact O-N 3.04Å; L249-A252 PolarHBondContact O-N 2.94Å; L249-L253 WeakPolarHBondContact O-CB 3.19Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.3Å; L249-L262 HydrophobicContact CD2-CD1 3.56Å; L249-L262 HydrophobicContact CD2-CD2 3.95Å; L249-L262 HydrophobicContact CD2-CG 4.41Å; L249-L262 HydrophobicContact CG-CD1 4.47Å; L249-L262 HydrophobicContact CG-CD2 4Å; L249-F325 HydrophobicContact CD1-CE1 4.49Å; L249-F325 HydrophobicContact CD2-CE1 4.23Å; L249-L327 HydrophobicContact CD2-CD2 3.34Å; L249-I337 HydrophobicContact CB-CG2 4.31Å
250	K	77.1	Confident	70.4	Confident	63 Å²	63	32.8 Å²	32.8	27%	0.274	17%	0.172	S	C	.	.	H	α-helix	trans	-57.3	-40.7	176.8	-81.8	178.4	-177.8	175.7	0	111.8	E246 K254 M334 I337	E246-K250 HydrophobicContact CG-CD 4.01Å; E246-K250 HydrophobicContact CG-CG 4.45Å; E246-K250 VanDerWaalsContact O-CB 3.23Å; E246-K250 WeakPolarHBondContact O-CB 3.29Å; E246-K250 VanDerWaalsContact O-CG 3.23Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.34Å; E246-K250 WeakPolarHBondContact OE1-CE 3.25Å; E246-K250 IonicContact OE1-NZ 2.94Å; E246-K250 PolarHBondContact OE1-NZ 3.35Å; K250-K254 VanDerWaalsContact O-CB 3.28Å; K250-K254 WeakPolarHBondContact O-CB 3.37Å; K250-K254 WeakPolarHBondContact O-CG 3.4Å; K250-K254 PolarHBondContact O-N 3.06Å; K250-M334 HydrophobicContact CG-SD 4.46Å; K250-I337 HydrophobicContact CB-CD1 4.33Å; K250-I337 HydrophobicContact CG-CD1 3.53Å; K250-I337 HydrophobicContact CG-CG2 4.23Å
251	T	69.8	Low	71.8	Confident	34 Å²	34	28 Å²	28	21%	0.209	15%	0.147	C	C	.	.	H	α-helix	trans	-77.7	-39	-175	-49	0	0	0	0	111.7	I234 V247 G248 L249 L253 K254 A255	I234-T251 HydrophobicContact CD1-CG2 3.22Å; I234-T251 WeakPolarHBondContact CD1-OG1 3.12Å; I234-T251 HydrophobicContact CG1-CG2 3.92Å; V247-T251 WeakPolarHBondContact O-CB 3.42Å; V247-T251 PolarHBondContact O-N 2.94Å; V247-T251 PolarHBondContact O-OG1 3.41Å; G248-T251 PolarHBondContact O-N 3.27Å; L249-T251 PolarHBondContact O-N 3.04Å; T251-L253 VanDerWaalsContact C-N 3.33Å; T251-L253 PolarHBondContact O-N 3.27Å; T251-K254 PolarHBondContact O-N 2.9Å; T251-A255 WeakPolarHBondContact O-CB 3.44Å; T251-A255 PolarHBondContact O-N 2.82Å
252	A	72.2	Confident	73.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-43.1	171.7	0	0	0	0	0	112.2	V64 I130 G248 L249 A255 L257 I260	V64-A252 HydrophobicContact CG2-CB 3.9Å; I130-A252 VanDerWaalsContact CD1-CA 3.46Å; I130-A252 HydrophobicContact CD1-CB 3.76Å; G248-A252 WeakPolarHBondContact O-CB 3.46Å; G248-A252 PolarHBondContact O-N 3.41Å; L249-A252 PolarHBondContact O-N 2.94Å; A252-A255 PolarHBondContact O-N 2.82Å; A252-L257 HydrophobicContact CB-CD1 4.11Å; A252-L257 WeakPolarHBondContact O-CD1 3.45Å; A252-L257 WeakPolarHBondContact O-CG 3.45Å; A252-I260 HydrophobicContact CB-CB 4.42Å; A252-I260 HydrophobicContact CB-CD1 3.51Å; A252-I260 HydrophobicContact CB-CG1 3.85Å; A252-I260 HydrophobicContact CB-CG2 3.67Å
253	L	75.3	Confident	74.1	Confident	6 Å²	6	25.3 Å²	25.3	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-71	-33.9	176.5	-72	167.7	0	0	0	112.7	L249 T251 A255 N256 I260 L327 I333 M334 I337	L249-L253 WeakPolarHBondContact O-CB 3.19Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.3Å; T251-L253 VanDerWaalsContact C-N 3.33Å; T251-L253 PolarHBondContact O-N 3.27Å; L253-A255 VanDerWaalsContact C-N 3.28Å; L253-A255 PolarHBondContact O-N 3.2Å; L253-N256 PolarHBondContact O-N 2.69Å; L253-I260 HydrophobicContact CD2-CD1 3.8Å; L253-I260 HydrophobicContact CG-CD1 3.88Å; L253-L327 HydrophobicContact CD2-CD1 4.17Å; L253-I333 HydrophobicContact CD1-CB 4.26Å; L253-I333 HydrophobicContact CD1-CG2 3.99Å; L253-M334 HydrophobicContact CB-CE 3.4Å; L253-M334 VanDerWaalsContact CB-CE 3.4Å; L253-M334 HydrophobicContact CB-SD 4.37Å; L253-I337 HydrophobicContact CD1-CD1 3.55Å; L253-I337 HydrophobicContact CD1-CG1 3.96Å
254	K	74.4	Confident	74.5	Confident	147 Å²	147	24.3 Å²	24.3	64%	0.639	12%	0.123	S	C	*	.	H	α-helix	trans	-67.9	-26.9	172.9	-80.5	174.6	-179.5	-175.5	0	113	K250 T251 N256 M334	K250-K254 VanDerWaalsContact O-CB 3.28Å; K250-K254 WeakPolarHBondContact O-CB 3.37Å; K250-K254 WeakPolarHBondContact O-CG 3.4Å; K250-K254 PolarHBondContact O-N 3.06Å; T251-K254 PolarHBondContact O-N 2.9Å; K254-N256 PolarHBondContact O-N 3.25Å; K254-M334 HydrophobicContact CG-CE 3.86Å
255	A	67.9	Low	74.5	Confident	20 Å²	20	24.8 Å²	24.8	17%	0.165	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.3	174.5	0	0	0	0	0	113.1	T251 A252 L253 L257	T251-A255 WeakPolarHBondContact O-CB 3.44Å; T251-A255 PolarHBondContact O-N 2.82Å; A252-A255 PolarHBondContact O-N 2.82Å; L253-A255 VanDerWaalsContact C-N 3.28Å; L253-A255 PolarHBondContact O-N 3.2Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-L257 HydrophobicContact CB-CD1 4.04Å; A255-L257 HydrophobicContact CB-CD2 4.28Å; A255-L257 HydrophobicContact CB-CG 3.87Å; A255-L257 PolarHBondContact O-N 3.3Å
256	N	70.1	Confident	74.1	Confident	80 Å²	80	26.9 Å²	26.9	43%	0.428	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	45.5	-177.8	-63.1	-7.8	0	0	0	112.1	R60 L253 K254 H331	R60-N256 VanDerWaalsContact CD-O 3.29Å; R60-N256 WeakPolarHBondContact CD-O 3.28Å; L253-N256 PolarHBondContact O-N 2.69Å; K254-N256 PolarHBondContact O-N 3.25Å; N256-H331 PolarHBondContact OD1-CE1 3.26Å; N256-H331 VanDerWaalsContact OD1-CE1 3.24Å
257	L	72.6	Confident	73.8	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.13	C	C	.	.			trans	-79.6	136.9	177.1	-56.5	172.6	0	0	0	109.2	R60 D128 I130 A252 A255 I260 G329	R60-L257 HydrophobicContact CB-CD2 3.95Å; D128-L257 HydrophobicContact CB-CD1 4.35Å; D128-L257 HydrophobicContact CB-CD2 4.03Å; I130-L257 HydrophobicContact CD1-CD1 3.73Å; A252-L257 HydrophobicContact CB-CD1 4.11Å; A252-L257 WeakPolarHBondContact O-CD1 3.45Å; A252-L257 WeakPolarHBondContact O-CG 3.45Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-L257 HydrophobicContact CB-CD1 4.04Å; A255-L257 HydrophobicContact CB-CD2 4.28Å; A255-L257 HydrophobicContact CB-CG 3.87Å; A255-L257 PolarHBondContact O-N 3.3Å; L257-I260 HydrophobicContact CB-CG1 3.96Å; L257-G329 WeakPolarHBondContact O-CA 3.4Å
258	D	70.9	Confident	73.6	Confident	62 Å²	62	24.5 Å²	24.5	33%	0.332	12%	0.122	S	C	.	.	S	Bend	trans	-80	-28	179.9	-60	-48	0	0	0	112.1	S59 R60 K328 G329	S59-D258 WeakPolarHBondContact CA-OD2 3.35Å; R60-D258 PolarHBondContact N-OD2 2.7Å; R60-D258 WeakPolarHBondContact O-CA 3.32Å; R60-D258 WeakPolarHBondContact O-CB 3.43Å; R60-D258 PolarHBondContact O-N 3.46Å; D258-K328 CarbonylContact O-C 3.52Å; D258-G329 PolarHBondContact O-N 3.15Å
259	Y	77.3	Confident	73.4	Confident	20 Å²	20	30.1 Å²	30.1	8%	0.078	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.3	176.2	-56.9	-67.8	0	0	0	109.1	R60 L61 G62 V122 L282 A283 L327 K328	R60-Y259 PolarHBondContact O-N 2.99Å; L61-Y259 CarbonylContact C-O 3.49Å; L61-Y259 WeakPolarHBondContact CA-O 3.23Å; G62-Y259 PolarHBondContact N-O 3.03Å; V122-Y259 HydrophobicContact CG2-CE2 4.29Å; Y259-L282 HydrophobicContact CD1-CB 3.67Å; Y259-L282 HydrophobicContact CD1-CD1 4.24Å; Y259-L282 HydrophobicContact CE1-CB 3.86Å; Y259-L282 WeakPolarHBondContact CE1-O 3.39Å; Y259-A283 HydrophobicContact CE1-CB 4.49Å; Y259-L327 WeakPolarHBondContact CA-O 3.2Å; Y259-K328 HydrophobicContact CD1-CG 4.44Å; Y259-K328 HydrophobicContact CE1-CG 4.17Å
260	I	81.3	Confident	73.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.7	177.7	-55.3	162.1	0	0	0	108.1	G62 V64 A252 L253 L257 L262 G326 L327	G62-I260 CarbonylContact O-C 3.56Å; G62-I260 VanDerWaalsContact O-CA 3.29Å; G62-I260 WeakPolarHBondContact O-CA 3.23Å; V64-I260 HydrophobicContact CG2-CG2 3.75Å; A252-I260 HydrophobicContact CB-CB 4.42Å; A252-I260 HydrophobicContact CB-CD1 3.51Å; A252-I260 HydrophobicContact CB-CG1 3.85Å; A252-I260 HydrophobicContact CB-CG2 3.67Å; L253-I260 HydrophobicContact CD2-CD1 3.8Å; L253-I260 HydrophobicContact CG-CD1 3.88Å; L257-I260 HydrophobicContact CB-CG1 3.96Å; I260-L262 HydrophobicContact CG2-CD1 3.83Å; I260-L262 HydrophobicContact CG2-CG 4.37Å; I260-G326 CarbonylContact O-C 3.45Å; I260-G326 WeakPolarHBondContact O-CA 3.09Å; I260-L327 HydrophobicContact CB-CD2 3.7Å; I260-L327 HydrophobicContact CB-CG 3.86Å; I260-L327 HydrophobicContact CD1-CD1 4.04Å; I260-L327 HydrophobicContact CD1-CD2 4.06Å; I260-L327 HydrophobicContact CD1-CG 4.15Å; I260-L327 HydrophobicContact CG1-CD2 4.44Å; I260-L327 HydrophobicContact CG1-CG 4.41Å; I260-L327 HydrophobicContact CG2-CD2 4.02Å; I260-L327 PolarHBondContact N-O 3.28Å; I260-L327 PolarHBondContact O-N 3.22Å
261	I	83.2	Confident	73	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.2	175.2	-56.3	177.1	0	0	0	108.3	L61 G62 V63 V64 W110 I263 L275 T278 I279 L324 F325	L61-I261 HydrophobicContact CD1-CD1 4.27Å; L61-I261 HydrophobicContact CD1-CG1 4.34Å; G62-I261 PolarHBondContact O-N 3.11Å; V63-I261 CarbonylContact C-O 3.54Å; V63-I261 VanDerWaalsContact CA-O 3.3Å; V63-I261 WeakPolarHBondContact CA-O 3.24Å; V63-I261 HydrophobicContact CG1-CB 4.46Å; V63-I261 HydrophobicContact CG2-CB 4.46Å; V64-I261 PolarHBondContact N-O 3.39Å; W110-I261 HydrophobicContact CH2-CD1 4.04Å; I261-I263 HydrophobicContact CG2-CD1 4.47Å; I261-I263 HydrophobicContact CG2-CG1 4.11Å; I261-L275 HydrophobicContact CG2-CD2 4.11Å; I261-T278 HydrophobicContact CD1-CG2 4.17Å; I261-T278 HydrophobicContact CG1-CG2 4.12Å; I261-I279 HydrophobicContact CD1-CD1 4.2Å; I261-I279 HydrophobicContact CD1-CG1 3.75Å; I261-L324 HydrophobicContact CG2-CD1 4.07Å; I261-L324 HydrophobicContact CG2-CG 4.07Å; I261-F325 CarbonylContact C-O 3.5Å; I261-F325 WeakPolarHBondContact CA-O 3.27Å
262	L	82	Confident	73.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.6	174	-60.2	99.5	0	0	0	109.9	V64 I66 L245 L249 I260 L324 F325 L327 W346	V64-L262 HydrophobicContact CB-CD2 3.88Å; V64-L262 HydrophobicContact CB-CG 3.83Å; V64-L262 HydrophobicContact CG1-CD2 4.08Å; V64-L262 HydrophobicContact CG2-CD2 4.22Å; V64-L262 HydrophobicContact CG2-CG 4.14Å; V64-L262 VanDerWaalsContact O-CA 3.25Å; V64-L262 WeakPolarHBondContact O-CA 3.28Å; I66-L262 HydrophobicContact CD1-CD2 3.79Å; L245-L262 HydrophobicContact CD1-CD2 3.61Å; L249-L262 HydrophobicContact CD2-CD1 3.56Å; L249-L262 HydrophobicContact CD2-CD2 3.95Å; L249-L262 HydrophobicContact CD2-CG 4.41Å; L249-L262 HydrophobicContact CG-CD1 4.47Å; L249-L262 HydrophobicContact CG-CD2 4Å; I260-L262 HydrophobicContact CG2-CD1 3.83Å; I260-L262 HydrophobicContact CG2-CG 4.37Å; L262-L324 CarbonylContact O-C 3.57Å; L262-L324 VanDerWaalsContact O-CA 3.31Å; L262-L324 WeakPolarHBondContact O-CA 3.47Å; L262-F325 HydrophobicContact CB-CB 4.28Å; L262-F325 HydrophobicContact CD1-CB 4.45Å; L262-F325 HydrophobicContact CD1-CD1 3.65Å; L262-F325 HydrophobicContact CD1-CE1 4.29Å; L262-F325 HydrophobicContact CD1-CG 4.34Å; L262-F325 PolarHBondContact N-O 2.97Å; L262-F325 PolarHBondContact O-N 3.2Å; L262-L327 HydrophobicContact CD1-CD2 3.87Å; L262-W346 HydrophobicContact CB-CH2 3.85Å; L262-W346 HydrophobicContact CB-CZ2 3.98Å
263	I	78.4	Confident	73.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132	-174.8	-63.2	164.8	0	0	0	109.8	V63 V64 I66 I107 I261 L270 L275	V63-I263 HydrophobicContact CG1-CD1 3.6Å; V63-I263 HydrophobicContact CG1-CG1 4.42Å; V64-I263 PolarHBondContact O-N 3.28Å; I66-I263 PolarHBondContact N-O 3.16Å; I107-I263 HydrophobicContact CD1-CD1 3.4Å; I107-I263 HydrophobicContact CG1-CD1 3.58Å; I261-I263 HydrophobicContact CG2-CD1 4.47Å; I261-I263 HydrophobicContact CG2-CG1 4.11Å; I263-L270 HydrophobicContact CD1-CD2 4.16Å; I263-L270 HydrophobicContact CG2-CD1 4.39Å; I263-L270 HydrophobicContact CG2-CD2 3.71Å; I263-L275 HydrophobicContact CD1-CD2 3.69Å; I263-L275 HydrophobicContact CG1-CD2 4.25Å
264	N	75.1	Confident	73.8	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.179	C	C	.	.			trans	-90.2	117.8	169	-177.6	-3.7	0	0	0	109.7	R266 A267 L322 Y323 W346 E377	N264-R266 PolarHBondContact O-N 3.2Å; N264-R266 WeakPolarHBondContact OD1-CB 3.16Å; N264-R266 PolarHBondContact OD1-N 3.09Å; N264-A267 PolarHBondContact O-N 2.78Å; N264-L322 VanDerWaalsContact CB-O 3.29Å; N264-L322 WeakPolarHBondContact CB-O 3.17Å; N264-L322 PolarHBondContact ND2-O 3.27Å; N264-Y323 PolarHBondContact N-O 3Å; N264-W346 HydrophobicContact CB-CZ2 4.36Å; N264-E377 PolarHBondContact ND2-OE1 2.81Å
265	P	66.4	Low	74	Confident	10 Å²	10	28.3 Å²	28.3	7%	0.065	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.9	-178.5	29.1	-35.7	0	0	0	114.2	I66 T67 S103 A267	I66-P265 WeakPolarHBondContact O-CD 3.22Å; I66-P265 WeakPolarHBondContact O-CG 3.23Å; T67-P265 HydrophobicContact CG2-CG 4.45Å; S103-P265 WeakPolarHBondContact OG-CA 3.44Å; P265-A267 PolarHBondContact O-N 2.82Å
266	R	66.4	Low	74.4	Confident	45 Å²	45	29.1 Å²	29.1	17%	0.17	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.9	175.5	-66.9	-175.7	170.1	-171.3	-6.4	113.8	H69 N264 M268 S347 E377 V378	H69-R266 PolarHBondContact CE1-NE 2.92Å; N264-R266 PolarHBondContact O-N 3.2Å; N264-R266 WeakPolarHBondContact OD1-CB 3.16Å; N264-R266 PolarHBondContact OD1-N 3.09Å; R266-M268 PolarHBondContact O-N 3.36Å; R266-S347 PolarHBondContact NH1-O 3.36Å; R266-E377 HydrophobicContact CB-CG 3.49Å; R266-E377 VanDerWaalsContact CB-CG 3.49Å; R266-E377 VanDerWaalsContact CD-OE1 3.28Å; R266-E377 WeakPolarHBondContact CD-OE1 3.24Å; R266-V378 PolarHBondContact O-N 3.37Å
267	A	69	Low	74.8	Confident	7 Å²	7	27.9 Å²	27.9	6%	0.058	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-76.1	121.7	-179.8	0	0	0	0	0	111.2	N264 P265 Y323 L375	N264-A267 PolarHBondContact O-N 2.78Å; P265-A267 PolarHBondContact O-N 2.82Å; A267-Y323 HydrophobicContact CB-CG 4.33Å; A267-L375 HydrophobicContact CB-CB 4.26Å; A267-L375 HydrophobicContact CB-CD1 4.03Å
268	M	67.6	Low	75.1	Confident	8 Å²	8	27.7 Å²	27.7	4%	0.039	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	151.3	174.7	-70.5	-169	-98.6	0	0	110.9	R266 L270 E376 V378 D383 N386 V387	R266-M268 PolarHBondContact O-N 3.36Å; M268-L270 VanDerWaalsContact C-N 3.26Å; M268-L270 PolarHBondContact O-N 2.75Å; M268-E376 PolarHBondContact N-O 2.95Å; M268-V378 HydrophobicContact CE-CB 4.48Å; M268-V378 HydrophobicContact CE-CG2 3.54Å; M268-V378 HydrophobicContact CG-CG2 3.91Å; M268-V378 HydrophobicContact SD-CG2 4.05Å; M268-D383 HydrophobicContact CE-CB 3.87Å; M268-N386 HydrophobicContact CE-CB 3.61Å; M268-N386 VanDerWaalsContact SD-C 3.51Å; M268-N386 HydrophobicContact SD-CB 3.73Å; M268-V387 HydrophobicContact CE-CG2 4.03Å; M268-V387 HydrophobicContact CG-CG2 4.37Å; M268-V387 HydrophobicContact SD-CB 4.27Å; M268-V387 HydrophobicContact SD-CG2 3.46Å; M268-V387 WeakPolarHBondContact SD-CG2 3.45Å; M268-V387 PolarHBondContact SD-N 2.82Å; M268-V387 VanDerWaalsContact SD-N 3.43Å
269	N	66.9	Low	75.3	Confident	117 Å²	117	25 Å²	25	63%	0.626	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	26.5	174.8	-55	-34.9	0	0	0	115.4	S271	N269-S271 PolarHBondContact O-N 3.05Å; N269-S271 VanDerWaalsContact O-N 3.13Å
270	L	71.8	Confident	75.3	Confident	14 Å²	14	29.3 Å²	29.3	7%	0.073	15%	0.148	C	C	.	.			trans	-53	123.7	168.3	-168.3	86.1	0	0	0	109.1	V106 I263 M268 Y323 L375	V106-L270 HydrophobicContact CG1-CD2 4.28Å; V106-L270 WeakPolarHBondContact CG1-O 3.49Å; V106-L270 VanDerWaalsContact CG2-O 3.28Å; V106-L270 WeakPolarHBondContact CG2-O 3.15Å; I263-L270 HydrophobicContact CD1-CD2 4.16Å; I263-L270 HydrophobicContact CG2-CD1 4.39Å; I263-L270 HydrophobicContact CG2-CD2 3.71Å; M268-L270 VanDerWaalsContact C-N 3.26Å; M268-L270 PolarHBondContact O-N 2.75Å; L270-Y323 HydrophobicContact CD1-CD2 4.31Å; L270-L375 HydrophobicContact CB-CD1 4.43Å; L270-L375 HydrophobicContact CD1-CD1 4.05Å
271	S	74.7	Confident	75	Confident	37 Å²	37	31.5 Å²	31.5	26%	0.259	16%	0.159	S	C	.	.			trans	-117.8	157.1	-175.5	72.9	0	0	0	0	111.2	N269 H273 L274	N269-S271 PolarHBondContact O-N 3.05Å; N269-S271 VanDerWaalsContact O-N 3.13Å; S271-H273 PolarHBondContact O-N 2.71Å; S271-L274 PolarHBondContact O-N 3.3Å
272	E	74.8	Confident	74.7	Confident	56 Å²	56	31.5 Å²	31.5	26%	0.262	16%	0.159	S	C	.	.	H	α-helix	trans	-60	-27.4	175.8	-59.7	-169.2	-172.5	0	0	113	V106 S109 W110 N113 T276	V106-E272 HydrophobicContact CG1-CG 4.32Å; S109-E272 WeakPolarHBondContact CB-OE1 3.46Å; S109-E272 PolarHBondContact OG-OE1 2.94Å; W110-E272 HydrophobicContact CB-CB 4.18Å; W110-E272 HydrophobicContact CB-CG 3.92Å; W110-E272 HydrophobicContact CG-CB 4.41Å; W110-E272 PolarHBondContact NE1-O 3.25Å; N113-E272 PolarHBondContact ND2-OE1 2.84Å; N113-E272 PolarHBondContact ND2-OE2 3.04Å; E272-T276 PolarHBondContact O-N 3.38Å; E272-T276 VanDerWaalsContact O-N 3.17Å; E272-T276 PolarHBondContact O-OG1 3.05Å
273	H	79.3	Confident	74.2	Confident	113 Å²	113	32.9 Å²	32.9	52%	0.523	17%	0.171	S	C	.	.	H	α-helix	trans	-61.2	-46.7	178.5	173	-94.5	0	0	0	111.3	S271 L275 T276 E277 E373	S271-H273 PolarHBondContact O-N 2.71Å; H273-L275 VanDerWaalsContact C-N 3.34Å; H273-L275 PolarHBondContact O-N 2.91Å; H273-T276 WeakPolarHBondContact O-CA 3.35Å; H273-T276 WeakPolarHBondContact O-CB 3.22Å; H273-T276 PolarHBondContact O-N 2.81Å; H273-T276 VanDerWaalsContact O-N 3.07Å; H273-E277 IonicContact CE1-OE2 3.94Å; H273-E277 PolarHBondContact CE1-OE2 3.43Å; H273-E277 VanDerWaalsContact CE1-OE2 3.24Å; H273-E277 IonicContact ND1-OE2 3.24Å; H273-E277 PolarHBondContact O-N 3.02Å; H273-E373 IonicContact ND1-OE2 3.41Å
274	L	80	Confident	73.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-40.3	-179	-70	171.8	0	0	0	112.8	S271 T276 T278 Y323 L371 E373 L375	S271-L274 PolarHBondContact O-N 3.3Å; L274-T276 VanDerWaalsContact C-N 3.31Å; L274-T278 WeakPolarHBondContact O-CB 3.24Å; L274-T278 PolarHBondContact O-N 3.27Å; L274-T278 PolarHBondContact O-OG1 3.37Å; L274-Y323 HydrophobicContact CD1-CE2 4.14Å; L274-L371 HydrophobicContact CD2-CD1 4.25Å; L274-E373 HydrophobicContact CD2-CB 3.87Å; L274-E373 HydrophobicContact CD2-CG 4.2Å; L274-E373 WeakPolarHBondContact CD2-OE2 3.16Å; L274-L375 HydrophobicContact CD1-CD1 3.75Å; L274-L375 HydrophobicContact CD1-CD2 4.15Å; L274-L375 HydrophobicContact CD1-CG 4.16Å
275	L	77.4	Confident	72.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-37.9	176.1	-58.6	179.8	0	0	0	111.2	I107 W110 I261 I263 H273 I279 L324	I107-L275 HydrophobicContact CG1-CD1 4.22Å; W110-L275 HydrophobicContact CB-CD1 3.96Å; W110-L275 HydrophobicContact CD2-CB 3.75Å; W110-L275 HydrophobicContact CD2-CD1 3.78Å; W110-L275 HydrophobicContact CD2-CG 4.43Å; W110-L275 VanDerWaalsContact CE2-CB 3.47Å; W110-L275 HydrophobicContact CE3-CB 4.27Å; W110-L275 HydrophobicContact CE3-CD1 3.89Å; W110-L275 HydrophobicContact CG-CB 4.09Å; W110-L275 HydrophobicContact CG-CD1 3.84Å; W110-L275 HydrophobicContact CH2-CB 4.14Å; W110-L275 HydrophobicContact CZ2-CB 3.68Å; W110-L275 HydrophobicContact CZ3-CB 4.47Å; I261-L275 HydrophobicContact CG2-CD2 4.11Å; I263-L275 HydrophobicContact CD1-CD2 3.69Å; I263-L275 HydrophobicContact CG1-CD2 4.25Å; H273-L275 VanDerWaalsContact C-N 3.34Å; H273-L275 PolarHBondContact O-N 2.91Å; L275-I279 PolarHBondContact O-N 3.26Å; L275-L324 HydrophobicContact CD2-CD1 3.92Å
276	T	76.8	Confident	72.1	Confident	36 Å²	36	48.5 Å²	48.5	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-48.1	178	-52.7	0	0	0	0	111.5	W110 L120 E272 H273 L274 T278 I279 Q280	W110-T276 PolarHBondContact NE1-OG1 3.14Å; L120-T276 HydrophobicContact CD1-CG2 4.49Å; L120-T276 HydrophobicContact CD2-CG2 3.92Å; E272-T276 PolarHBondContact O-N 3.38Å; E272-T276 VanDerWaalsContact O-N 3.17Å; E272-T276 PolarHBondContact O-OG1 3.05Å; H273-T276 WeakPolarHBondContact O-CA 3.35Å; H273-T276 WeakPolarHBondContact O-CB 3.22Å; H273-T276 PolarHBondContact O-N 2.81Å; H273-T276 VanDerWaalsContact O-N 3.07Å; L274-T276 VanDerWaalsContact C-N 3.31Å; T276-T278 VanDerWaalsContact C-N 3.33Å; T276-T278 PolarHBondContact O-N 2.88Å; T276-I279 PolarHBondContact O-N 3.45Å; T276-Q280 WeakPolarHBondContact O-CG 3.49Å; T276-Q280 PolarHBondContact O-N 3Å
277	E	79.1	Confident	71.2	Confident	54 Å²	54	55.6 Å²	55.6	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-41.8	178.3	-171.6	179.9	175.1	0	0	111.3	H273 I279 Q280 L281 L371	H273-E277 IonicContact CE1-OE2 3.94Å; H273-E277 PolarHBondContact CE1-OE2 3.43Å; H273-E277 VanDerWaalsContact CE1-OE2 3.24Å; H273-E277 IonicContact ND1-OE2 3.24Å; H273-E277 PolarHBondContact O-N 3.02Å; E277-I279 VanDerWaalsContact C-N 3.34Å; E277-I279 PolarHBondContact O-N 3.06Å; E277-Q280 PolarHBondContact O-N 3.22Å; E277-L281 HydrophobicContact CG-CD1 4.22Å; E277-L281 WeakPolarHBondContact O-CG 3.34Å; E277-L281 PolarHBondContact O-N 3.43Å; E277-L371 HydrophobicContact CG-CD2 4.13Å
278	T	78	Confident	70.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.4	-46.7	175.4	-60	0	0	0	0	111.8	I261 L274 T276 L282 V294 L324	I261-T278 HydrophobicContact CD1-CG2 4.17Å; I261-T278 HydrophobicContact CG1-CG2 4.12Å; L274-T278 WeakPolarHBondContact O-CB 3.24Å; L274-T278 PolarHBondContact O-N 3.27Å; L274-T278 PolarHBondContact O-OG1 3.37Å; T276-T278 VanDerWaalsContact C-N 3.33Å; T276-T278 PolarHBondContact O-N 2.88Å; T278-L282 HydrophobicContact CG2-CD1 4.18Å; T278-L282 WeakPolarHBondContact O-CG 2.78Å; T278-L282 PolarHBondContact O-N 3.29Å; T278-L282 VanDerWaalsContact O-N 3.13Å; T278-V294 HydrophobicContact CG2-CB 4.09Å; T278-V294 HydrophobicContact CG2-CG1 4.04Å; T278-L324 HydrophobicContact CG2-CD2 3.79Å; T278-L324 WeakPolarHBondContact OG1-CD2 3.26Å
279	I	76.6	Confident	69.7	Low	6 Å²	6	66.5 Å²	66.5	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-44.3	177.6	-69.7	-166.2	0	0	0	111.2	L61 W110 V122 I261 L275 T276 E277 L281 L282 A283	L61-I279 HydrophobicContact CD1-CD1 3.56Å; L61-I279 HydrophobicContact CD1-CG1 4.18Å; L61-I279 HydrophobicContact CD2-CD1 3.46Å; L61-I279 VanDerWaalsContact CD2-CD1 3.46Å; L61-I279 HydrophobicContact CG-CD1 4.12Å; W110-I279 HydrophobicContact CH2-CD1 3.4Å; W110-I279 HydrophobicContact CH2-CG1 4.21Å; W110-I279 HydrophobicContact CZ2-CD1 3.54Å; W110-I279 HydrophobicContact CZ2-CG1 4.17Å; V122-I279 HydrophobicContact CG2-CG2 4.06Å; I261-I279 HydrophobicContact CD1-CD1 4.2Å; I261-I279 HydrophobicContact CD1-CG1 3.75Å; L275-I279 PolarHBondContact O-N 3.26Å; T276-I279 PolarHBondContact O-N 3.45Å; E277-I279 VanDerWaalsContact C-N 3.34Å; E277-I279 PolarHBondContact O-N 3.06Å; I279-L281 VanDerWaalsContact C-N 3.28Å; I279-L281 PolarHBondContact O-N 3.12Å; I279-L282 PolarHBondContact O-N 3.31Å; I279-A283 WeakPolarHBondContact O-CB 3.45Å; I279-A283 PolarHBondContact O-N 3.1Å
280	Q	76	Confident	69.7	Low	110 Å²	110	65.5 Å²	65.5	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-43.1	-179.3	-73.9	174.2	-18.9	0	0	111.1	L120 T276 E277 A283 D284	L120-Q280 HydrophobicContact CD2-CG 4.05Å; T276-Q280 WeakPolarHBondContact O-CG 3.49Å; T276-Q280 PolarHBondContact O-N 3Å; E277-Q280 PolarHBondContact O-N 3.22Å; Q280-A283 PolarHBondContact O-N 2.94Å; Q280-D284 WeakPolarHBondContact O-CB 3.37Å; Q280-D284 PolarHBondContact O-N 2.9Å
281	L	76	Confident	69.7	Low	46 Å²	46	65.5 Å²	65.5	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-40.8	176.3	-70.6	170	0	0	0	112.8	E277 I279 V291 V294 V369 L371	E277-L281 HydrophobicContact CG-CD1 4.22Å; E277-L281 WeakPolarHBondContact O-CG 3.34Å; E277-L281 PolarHBondContact O-N 3.43Å; I279-L281 VanDerWaalsContact C-N 3.28Å; I279-L281 PolarHBondContact O-N 3.12Å; L281-V291 WeakPolarHBondContact O-CB 3.24Å; L281-V294 HydrophobicContact CB-CG2 3.91Å; L281-V294 HydrophobicContact CD1-CG1 4.35Å; L281-V294 HydrophobicContact CD1-CG2 4.4Å; L281-V369 HydrophobicContact CD1-CG1 4.17Å; L281-L371 HydrophobicContact CD1-CD2 3.72Å
282	L	76.3	Confident	69.9	Low	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-71.8	-29.9	178	-69.9	171.9	0	0	0	113.1	Y259 T278 I279 V294	Y259-L282 HydrophobicContact CD1-CB 3.67Å; Y259-L282 HydrophobicContact CD1-CD1 4.24Å; Y259-L282 HydrophobicContact CE1-CB 3.86Å; Y259-L282 WeakPolarHBondContact CE1-O 3.39Å; T278-L282 HydrophobicContact CG2-CD1 4.18Å; T278-L282 WeakPolarHBondContact O-CG 2.78Å; T278-L282 PolarHBondContact O-N 3.29Å; T278-L282 VanDerWaalsContact O-N 3.13Å; I279-L282 PolarHBondContact O-N 3.31Å; L282-V294 HydrophobicContact CD2-CG2 3.82Å; L282-V294 HydrophobicContact CG-CG2 3.84Å
283	A	72.3	Confident	70.3	Confident	28 Å²	28	61.6 Å²	61.6	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-91	-14.2	-176.4	0	0	0	0	0	113.8	Y259 I279 Q280 E285	Y259-A283 HydrophobicContact CE1-CB 4.49Å; I279-A283 WeakPolarHBondContact O-CB 3.45Å; I279-A283 PolarHBondContact O-N 3.1Å; Q280-A283 PolarHBondContact O-N 2.94Å; A283-E285 PolarHBondContact O-N 3.44Å; A283-E285 VanDerWaalsContact O-N 3.14Å
284	D	66	Low	70.4	Confident	73 Å²	73	56.2 Å²	56.2	39%	0.39	29%	0.292	S	S	.	.			trans	-64.9	113.6	-178.2	-162.3	0.9	0	0	0	110.7	Q280 N286	Q280-D284 WeakPolarHBondContact O-CB 3.37Å; Q280-D284 PolarHBondContact O-N 2.9Å; D284-N286 VanDerWaalsContact C-N 3.3Å; D284-N286 VanDerWaalsContact CG-ND2 3.29Å; D284-N286 PolarHBondContact OD1-N 3.23Å; D284-N286 PolarHBondContact OD1-ND2 3.19Å; D284-N286 PolarHBondContact OD2-ND2 3.42Å
285	E	55.5	Low	70.5	Confident	161 Å²	161	56.3 Å²	56.3	75%	0.752	29%	0.293	S	S	*	.			trans	-93.7	17.9	177.6	-67.6	-168.7	160.4	0	0	112.2	A283 E287	A283-E285 PolarHBondContact O-N 3.44Å; A283-E285 VanDerWaalsContact O-N 3.14Å; E285-E287 PolarHBondContact O-N 3.48Å; E285-E287 VanDerWaalsContact O-N 3.08Å
286	N	52.6	Low	70.7	Confident	107 Å²	107	56.3 Å²	56.3	57%	0.572	29%	0.293	S	S	*	.			trans	-47.7	122	174.3	-87.1	-32.6	0	0	0	110.6	D284 N288 C289	D284-N286 VanDerWaalsContact C-N 3.3Å; D284-N286 VanDerWaalsContact CG-ND2 3.29Å; D284-N286 PolarHBondContact OD1-N 3.23Å; D284-N286 PolarHBondContact OD1-ND2 3.19Å; D284-N286 PolarHBondContact OD2-ND2 3.42Å; N286-N288 PolarHBondContact O-N 2.87Å; N286-C289 PolarHBondContact O-N 3.36Å
287	E	47.6	Very low	70.8	Confident	195 Å²	195	54.8 Å²	54.8	91%	0.911	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-9.9	-162.3	-68.2	-175.2	152.7	0	0	115.9	E285	E285-E287 PolarHBondContact O-N 3.48Å; E285-E287 VanDerWaalsContact O-N 3.08Å
288	N	49.3	Very low	70.4	Confident	154 Å²	154	53.2 Å²	53.2	82%	0.824	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-10.6	-172.1	-70.7	-36.5	0	0	0	115.9	N286	N286-N288 PolarHBondContact O-N 2.87Å
289	C	56.2	Low	69.9	Low	90 Å²	90	57.4 Å²	57.4	61%	0.608	30%	0.296	S	S	*	.			trans	-154	83.5	-177.5	-84.5	0	0	0	0	112.7	N286 V291	N286-C289 PolarHBondContact O-N 3.36Å; C289-V291 PolarHBondContact O-N 2.85Å
290	Q	67.4	Low	68.7	Low	95 Å²	95	61.8 Å²	61.8	44%	0.444	32%	0.324	S	S	.	.			trans	-69	122.3	170.6	-178.3	177.4	-6.2	0	0	110.3	N367	Q290-N367 WeakPolarHBondContact O-CB 3.49Å; Q290-N367 PolarHBondContact O-ND2 2.79Å
291	V	71.1	Confident	67.4	Low	14 Å²	14	59.1 Å²	59.1	9%	0.085	32%	0.317	C	S	.	.			trans	-89.4	128.7	175.7	-178.2	0	0	0	0	110.3	L281 C289 F293 V294 V369	L281-V291 WeakPolarHBondContact O-CB 3.24Å; C289-V291 PolarHBondContact O-N 2.85Å; V291-F293 WeakPolarHBondContact CG1-O 3.32Å; V291-V294 HydrophobicContact CG1-CG2 4.04Å; V291-V369 HydrophobicContact CB-CG2 4.33Å; V291-V369 HydrophobicContact CG1-CB 4.07Å; V291-V369 HydrophobicContact CG1-CG2 3.66Å; V291-V369 HydrophobicContact CG2-CG2 3.67Å
292	D	78.6	Confident	65.9	Low	10 Å²	10	59.4 Å²	59.4	5%	0.053	32%	0.323	C	S	.	.			trans	-99.6	-33.7	178	-60.7	-80.7	0	0	0	112.5	K328 K366 N367	D292-K328 PolarHBondContact O-N 2.9Å; D292-K366 HydrophobicContact CB-CB 4.23Å; D292-K366 HydrophobicContact CB-CD 3.74Å; D292-K366 WeakPolarHBondContact OD1-CD 3.37Å; D292-K366 IonicContact OD1-NZ 2.7Å; D292-K366 PolarHBondContact OD1-NZ 3.25Å; D292-K366 WeakPolarHBondContact OD2-CA 3.29Å; D292-K366 WeakPolarHBondContact OD2-CD 3.16Å; D292-K366 IonicContact OD2-NZ 2.81Å; D292-N367 PolarHBondContact N-O 3.17Å; D292-N367 PolarHBondContact OD2-N 3.41Å
293	F	83.1	Confident	64.2	Low	2 Å²	2	71.3 Å²	71.3	1%	0.009	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.9	-176	-60	-72	0	0	0	112.1	V291 F325 G326 L327 I333 I359 L363 K366 N367 L368 V369	V291-F293 WeakPolarHBondContact CG1-O 3.32Å; F293-F325 HydrophobicContact CB-CE2 4.26Å; F293-F325 AromaticContact CD1-CE2 3.51Å; F293-F325 HydrophobicContact CD1-CE2 3.51Å; F293-F325 AromaticContact CD1-CZ 3.66Å; F293-F325 HydrophobicContact CD1-CZ 3.66Å; F293-F325 HydrophobicContact CE1-CE2 4.27Å; F293-F325 AromaticContact CE1-CZ 3.96Å; F293-F325 HydrophobicContact CE1-CZ 3.96Å; F293-F325 HydrophobicContact CG-CE2 4.24Å; F293-G326 CarbonylContact C-O 3.48Å; F293-G326 WeakPolarHBondContact CA-O 3.34Å; F293-L327 HydrophobicContact CD1-CB 3.85Å; F293-L327 HydrophobicContact CE1-CB 3.95Å; F293-I333 HydrophobicContact CE1-CD1 4.3Å; F293-I333 HydrophobicContact CZ-CD1 4.21Å; F293-I359 HydrophobicContact CD1-CD1 4.44Å; F293-I359 HydrophobicContact CD2-CD1 4.5Å; F293-I359 HydrophobicContact CD2-CG2 4.06Å; F293-I359 HydrophobicContact CE2-CG2 3.98Å; F293-I359 HydrophobicContact CG-CD1 4.3Å; F293-L363 HydrophobicContact CE2-CD1 3.76Å; F293-L363 HydrophobicContact CZ-CD1 3.46Å; F293-L363 VanDerWaalsContact CZ-CD1 3.46Å; F293-K366 HydrophobicContact CD2-CB 4.12Å; F293-K366 HydrophobicContact CE2-CB 3.75Å; F293-K366 HydrophobicContact CE2-CD 4.4Å; F293-K366 HydrophobicContact CE2-CG 4Å; F293-N367 PolarHBondContact N-O 3.25Å; F293-N367 VanDerWaalsContact N-O 3.07Å; F293-L368 HydrophobicContact CB-CB 4.32Å; F293-L368 HydrophobicContact CB-CD1 4.25Å; F293-L368 HydrophobicContact CB-CG 4.21Å; F293-L368 WeakPolarHBondContact O-CA 3.3Å; F293-V369 PolarHBondContact O-N 3.22Å
294	V	82.2	Confident	62.6	Low	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.7	172.7	178.1	0	0	0	0	109.2	T278 L281 L282 V291 L324 F325 G326 V369 L371	T278-V294 HydrophobicContact CG2-CB 4.09Å; T278-V294 HydrophobicContact CG2-CG1 4.04Å; L281-V294 HydrophobicContact CB-CG2 3.91Å; L281-V294 HydrophobicContact CD1-CG1 4.35Å; L281-V294 HydrophobicContact CD1-CG2 4.4Å; L282-V294 HydrophobicContact CD2-CG2 3.82Å; L282-V294 HydrophobicContact CG-CG2 3.84Å; V291-V294 HydrophobicContact CG1-CG2 4.04Å; V294-L324 HydrophobicContact CG1-CD2 4.38Å; V294-F325 CarbonylContact O-C 3.57Å; V294-F325 WeakPolarHBondContact O-CA 3.23Å; V294-G326 PolarHBondContact N-O 3.35Å; V294-G326 PolarHBondContact O-N 3.41Å; V294-V369 CarbonylContact C-O 3.45Å; V294-V369 VanDerWaalsContact CA-O 3.26Å; V294-V369 WeakPolarHBondContact CA-O 3.41Å; V294-L371 HydrophobicContact CG1-CD1 4.29Å; V294-L371 HydrophobicContact CG1-CD2 3.98Å; V294-L371 HydrophobicContact CG1-CG 3.84Å
295	L	83.2	Confident	61.6	Low	2 Å²	2	73.1 Å²	73.1	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.2	176.6	-62.7	-174.3	0	0	0	111.5	I297 L322 F325 L355 L368 V369 C370 L371	L295-I297 HydrophobicContact CB-CG2 4.21Å; L295-L322 HydrophobicContact CB-CD1 4.19Å; L295-L322 HydrophobicContact CD2-CD1 3.77Å; L295-L322 HydrophobicContact CG-CD1 4.45Å; L295-F325 HydrophobicContact CD2-CD2 3.49Å; L295-F325 VanDerWaalsContact CD2-CD2 3.49Å; L295-F325 HydrophobicContact CD2-CE2 4.01Å; L295-F325 HydrophobicContact CD2-CG 4.32Å; L295-L355 HydrophobicContact CD2-CD2 3.56Å; L295-L355 HydrophobicContact CD2-CG 4.49Å; L295-L368 HydrophobicContact CD1-CD1 3.78Å; L295-L368 HydrophobicContact CD1-CD2 3.99Å; L295-L368 HydrophobicContact CD1-CG 4.22Å; L295-L368 HydrophobicContact CG-CD1 4.12Å; L295-L368 HydrophobicContact CG-CD2 4.34Å; L295-L368 HydrophobicContact CG-CG 4.27Å; L295-V369 PolarHBondContact N-O 2.86Å; L295-C370 CarbonylContact O-C 3.57Å; L295-C370 VanDerWaalsContact O-CA 3.26Å; L295-C370 WeakPolarHBondContact O-CA 3.33Å; L295-L371 PolarHBondContact O-N 3.19Å
296	G	81.5	Confident	60.8	Low	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.8	163	0	0	0	0	0	109.9	L322 Y323 L324	G296-L322 WeakPolarHBondContact O-CD1 3.48Å; G296-Y323 WeakPolarHBondContact O-CD1 3.19Å; G296-Y323 PolarHBondContact O-N 3.21Å; G296-L324 PolarHBondContact N-O 3.35Å; G296-L324 PolarHBondContact O-N 2.81Å
297	I	79	Confident	60.2	Low	3 Å²	3	75.2 Å²	75.2	2%	0.015	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149	-177.8	63.7	176.8	0	0	0	111.9	L295 K299 C301 G321 L322 Y323 A352 R374	L295-I297 HydrophobicContact CB-CG2 4.21Å; I297-K299 VanDerWaalsContact CD1-O 3.31Å; I297-K299 WeakPolarHBondContact CD1-O 3.49Å; I297-C301 HydrophobicContact CD1-CB 4.46Å; I297-C301 WeakPolarHBondContact CD1-SG 3.43Å; I297-G321 WeakPolarHBondContact CA-O 3.36Å; I297-L322 HydrophobicContact CG2-CD1 4.42Å; I297-Y323 VanDerWaalsContact N-CE1 3.31Å; I297-Y323 WeakPolarHBondContact O-CE1 2.81Å; I297-A352 HydrophobicContact CG2-CB 3.68Å; I297-R374 VanDerWaalsContact O-CD 3.25Å; I297-R374 WeakPolarHBondContact O-CD 3.4Å; I297-R374 PolarHBondContact O-NH1 3.45Å
298	T	70.8	Confident	59.7	Low	21 Å²	21	69.8 Å²	69.8	13%	0.129	36%	0.359	C	S	.	.	S	Bend	trans	-84.7	-29.7	-173.5	60.1	0	0	0	0	113.2	G321 Y323 L375 E377	T298-G321 PolarHBondContact N-O 3.17Å; T298-G321 VanDerWaalsContact OG1-CA 3.29Å; T298-G321 WeakPolarHBondContact OG1-CA 3.46Å; T298-G321 PolarHBondContact OG1-N 3.48Å; T298-G321 PolarHBondContact OG1-O 3.01Å; T298-Y323 HydrophobicContact CG2-CD1 4.41Å; T298-L375 VanDerWaalsContact CA-O 3.29Å; T298-L375 WeakPolarHBondContact CA-O 3.41Å; T298-L375 VanDerWaalsContact CB-O 3.27Å; T298-L375 WeakPolarHBondContact CB-O 3.29Å; T298-L375 WeakPolarHBondContact CG2-O 3.38Å; T298-E377 HydrophobicContact CG2-CB 3.81Å
299	K	65.6	Low	59.4	Low	89 Å²	89	69.8 Å²	69.8	39%	0.387	36%	0.358	S	S	.	.	S	Bend	trans	-122.4	155	-179.3	-74.3	-178.7	-176.3	171.6	0	112.1	I297 C301 N320	I297-K299 VanDerWaalsContact CD1-O 3.31Å; I297-K299 WeakPolarHBondContact CD1-O 3.49Å; K299-C301 PolarHBondContact O-N 3.17Å; K299-N320 WeakPolarHBondContact CB-OD1 3.46Å; K299-N320 PolarHBondContact O-OD1 3.1Å
300	P	52.4	Low	58.2	Low	97 Å²	97	72.7 Å²	72.7	63%	0.63	37%	0.367	S	S	*	.			trans	-67.2	121.9	177	25.6	-32.2	0	0	0	110.8	S302	P300-S302 PolarHBondContact O-N 2.76Å
301	C	48.6	Very low	56.8	Low	55 Å²	55	74.7 Å²	74.7	37%	0.372	39%	0.386	S	S	.	.			trans	-56.9	110.7	171.1	-71.1	0	0	0	0	110.2	I297 K299	I297-C301 HydrophobicContact CD1-CB 4.46Å; I297-C301 WeakPolarHBondContact CD1-SG 3.43Å; K299-C301 PolarHBondContact O-N 3.17Å
302	S	44.4	Very low	54.9	Low	52 Å²	52	81 Å²	81	36%	0.364	42%	0.419	S	S	.	.			trans	-63.6	144	162.8	70.9	0	0	0	0	108.6	P300 S304	P300-S302 PolarHBondContact O-N 2.76Å; S302-S304 PolarHBondContact O-N 2.85Å
303	R	40.1	Very low	52.8	Low	250 Å²	250	86.4 Å²	86.4	94%	0.943	45%	0.453	S	S	*	.	S	Bend	trans	-57.7	9.8	-172.8	-86.2	177.9	169.5	169.2	-3.7	116.1
304	S	39.2	Very low	50.2	Low	67 Å²	67	94 Å²	94	47%	0.469	49%	0.493	S	S	.	.			trans	-101.6	28.5	-173.8	89.3	0	0	0	0	115.8	S302 R306	S302-S304 PolarHBondContact O-N 2.85Å; S304-R306 PolarHBondContact O-N 3.15Å
305	L	45	Very low	47.9	Very low	72 Å²	72	100.6 Å²	100.6	38%	0.377	52%	0.524	S	S	.	.			trans	-70.3	25.5	161.7	-86.6	160.4	0	0	0	112.6	T307 Y356	L305-T307 PolarHBondContact O-N 3.21Å; L305-Y356 HydrophobicContact CB-CE1 4.26Å; L305-Y356 HydrophobicContact CD1-CD1 4.34Å; L305-Y356 HydrophobicContact CD1-CE1 4.34Å; L305-Y356 HydrophobicContact CD1-CG 4.44Å; L305-Y356 HydrophobicContact CD2-CD1 3.47Å; L305-Y356 VanDerWaalsContact CD2-CD1 3.47Å; L305-Y356 HydrophobicContact CD2-CE1 3.76Å; L305-Y356 HydrophobicContact CD2-CG 4.13Å; L305-Y356 HydrophobicContact CG-CD1 4.39Å; L305-Y356 HydrophobicContact CG-CE1 4.35Å
306	R	39.3	Very low	45.7	Very low	217 Å²	217	112.6 Å²	112.6	82%	0.819	57%	0.569	S	S	*	*			trans	-79.2	105.4	173.2	-82.3	-173.9	172.8	-177.7	-2.8	108.2	S304	S304-R306 PolarHBondContact O-N 3.15Å
307	T	40.6	Very low	43.9	Very low	95 Å²	95	118.5 Å²	118.5	58%	0.583	60%	0.595	S	S	*	*			trans	41.4	118.3	137.1	54.9	0	0	0	0	116.6	L305 I309	L305-T307 PolarHBondContact O-N 3.21Å; T307-I309 PolarHBondContact O-N 3.3Å
308	D	36.4	Very low	42.3	Very low	80 Å²	80	123.8 Å²	123.8	43%	0.428	62%	0.623	S	S	.	*	S	Bend	trans	-26.2	118.4	165.6	-56.3	-76.6	0	0	0	112.2	R357 H361	D308-R357 IonicContact OD1-CZ 4Å; D308-R357 IonicContact OD1-NE 2.84Å; D308-R357 IonicContact OD1-NH2 3.67Å; D308-R357 PolarHBondContact OD1-NH2 3.16Å; D308-H361 IonicContact OD1-NE2 3.17Å; D308-H361 IonicContact OD2-CE1 3.78Å; D308-H361 PolarHBondContact OD2-CE1 2.74Å; D308-H361 IonicContact OD2-NE2 3.02Å
309	I	42.1	Very low	41.6	Very low	154 Å²	154	124.3 Å²	124.3	79%	0.79	63%	0.627	S	S	*	*	S	Bend	trans	-172.5	-29.1	147	-88.7	143.2	0	0	0	110.9	T307	T307-I309 PolarHBondContact O-N 3.3Å
310	D	32.3	Very low	41.5	Very low	151 Å²	151	120.3 Å²	120.3	81%	0.807	61%	0.61	S	S	*	*			trans	-118.6	71.8	-174.7	-67.6	-34.2	0	0	0	114.1
311	V	38.4	Very low	42.2	Very low	138 Å²	138	115.7 Å²	115.7	84%	0.836	58%	0.58	S	S	*	*			trans	-114.6	47.2	165	-166	0	0	0	0	109.7
312	N	31.2	Very low	43.5	Very low	145 Å²	145	113.1 Å²	113.1	78%	0.775	56%	0.562	S	S	*	*	S	Bend	trans	-123.6	122.9	160.3	-87.6	-23.6	0	0	0	107.1
313	T	32.8	Very low	45.1	Very low	124 Å²	124	110.6 Å²	110.6	76%	0.761	55%	0.545	S	S	*	.	S	Bend	trans	82.7	104.7	167.5	70.4	0	0	0	0	118.6
314	N	29.4	Very low	47.2	Very low	161 Å²	161	98.7 Å²	98.7	86%	0.861	50%	0.5	S	S	*	.			trans	78.3	26.5	132.1	-61.7	-11	0	0	0	122.7
315	Q	34	Very low	49.4	Very low	139 Å²	139	95.7 Å²	95.7	65%	0.65	48%	0.478	S	S	*	.			trans	-128.8	105	163.2	-73.1	-174	-11.5	0	0	112.7	K317	Q315-K317 HydrophobicContact CB-CD 4.29Å; Q315-K317 HydrophobicContact CB-CG 4.21Å; Q315-K317 PolarHBondContact O-N 3.42Å
316	R	37.3	Very low	51.2	Low	254 Å²	254	92.2 Å²	92.2	96%	0.958	46%	0.461	S	S	*	.			trans	-59.2	66.6	166.4	-79	178.6	168.3	170.4	-4.8	111.1	L318	R316-L318 PolarHBondContact O-N 2.82Å
317	K	43	Very low	53.4	Low	125 Å²	125	82 Å²	82	54%	0.543	42%	0.422	S	S	.	.			trans	-85.2	107	-178.3	-88.3	172	170.5	161.7	0	110.3	Q315 S319	Q315-K317 HydrophobicContact CB-CD 4.29Å; Q315-K317 HydrophobicContact CB-CG 4.21Å; Q315-K317 PolarHBondContact O-N 3.42Å; K317-S319 PolarHBondContact O-N 2.83Å
318	L	45.1	Very low	55.3	Low	114 Å²	114	79.1 Å²	79.1	60%	0.597	40%	0.401	S	S	*	.			trans	17.1	95.9	154.1	-70.3	140	0	0	0	115.6	R316	R316-L318 PolarHBondContact O-N 2.82Å
319	S	56.5	Low	56.9	Low	31 Å²	31	76.1 Å²	76.1	22%	0.217	39%	0.39	C	S	.	.			trans	-87.4	144.1	174.3	45.7	0	0	0	0	113.2	K317 I349 N350 D353	K317-S319 PolarHBondContact O-N 2.83Å; S319-I349 CarbonylContact C-O 3.52Å; S319-I349 VanDerWaalsContact C-O 3.22Å; S319-I349 WeakPolarHBondContact CB-O 3.18Å; S319-I349 VanDerWaalsContact OG-CG2 3.31Å; S319-I349 WeakPolarHBondContact OG-CG2 3.19Å; S319-N350 WeakPolarHBondContact CB-OD1 3.46Å; S319-N350 PolarHBondContact OG-OD1 2.55Å; S319-D353 WeakPolarHBondContact CA-OD2 3.2Å
320	N	62.8	Low	58.2	Low	6 Å²	6	70.8 Å²	70.8	3%	0.032	36%	0.361	C	S	.	.			trans	-106.3	120	-175.6	-57.6	-55.1	0	0	0	112.1	K299 I349 N350 A351 A352 D353	K299-N320 WeakPolarHBondContact CB-OD1 3.46Å; K299-N320 PolarHBondContact O-OD1 3.1Å; N320-I349 CarbonylContact C-O 3.55Å; N320-I349 WeakPolarHBondContact CA-O 3.37Å; N320-I349 PolarHBondContact N-O 3.36Å; N320-I349 VanDerWaalsContact N-O 3.12Å; N320-N350 CarbonylContact O-C 3.51Å; N320-A351 PolarHBondContact O-N 2.97Å; N320-A352 HydrophobicContact CB-CB 3.95Å; N320-A352 WeakPolarHBondContact O-CB 3.4Å; N320-A352 PolarHBondContact O-N 3.27Å; N320-D353 PolarHBondContact N-OD2 3.24Å; N320-D353 PolarHBondContact ND2-OD1 2.66Å
321	G	68.8	Low	59.6	Low	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.353	C	S	.	.			trans	-78.3	165.3	171.3	0	0	0	0	0	111.6	I297 T298 I349	I297-G321 WeakPolarHBondContact CA-O 3.36Å; T298-G321 PolarHBondContact N-O 3.17Å; T298-G321 VanDerWaalsContact OG1-CA 3.29Å; T298-G321 WeakPolarHBondContact OG1-CA 3.46Å; T298-G321 PolarHBondContact OG1-N 3.48Å; T298-G321 PolarHBondContact OG1-O 3.01Å; G321-I349 PolarHBondContact N-O 3.25Å; G321-I349 VanDerWaalsContact N-O 3.1Å
322	L	75	Confident	60.8	Low	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.1	-175.3	-170.2	73.8	0	0	0	110.1	N264 L295 G296 I297 L324 F325 W346 A351 A352 L355	N264-L322 VanDerWaalsContact CB-O 3.29Å; N264-L322 WeakPolarHBondContact CB-O 3.17Å; N264-L322 PolarHBondContact ND2-O 3.27Å; L295-L322 HydrophobicContact CB-CD1 4.19Å; L295-L322 HydrophobicContact CD2-CD1 3.77Å; L295-L322 HydrophobicContact CG-CD1 4.45Å; G296-L322 WeakPolarHBondContact O-CD1 3.48Å; I297-L322 HydrophobicContact CG2-CD1 4.42Å; L322-L324 WeakPolarHBondContact CD1-O 3.1Å; L322-F325 HydrophobicContact CD2-CB 4.3Å; L322-W346 HydrophobicContact CD2-CE3 3.87Å; L322-W346 HydrophobicContact CD2-CH2 3.42Å; L322-W346 VanDerWaalsContact CD2-CH2 3.42Å; L322-W346 HydrophobicContact CD2-CZ2 4.31Å; L322-W346 HydrophobicContact CD2-CZ3 3.19Å; L322-W346 HydrophobicContact CG-CH2 4.12Å; L322-W346 HydrophobicContact CG-CZ3 4.3Å; L322-A351 HydrophobicContact CB-CB 3.99Å; L322-A352 HydrophobicContact CB-CB 4.28Å; L322-A352 HydrophobicContact CD1-CB 4.13Å; L322-L355 HydrophobicContact CD2-CD2 3.52Å
323	Y	78	Confident	62.7	Low	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-28.7	177.1	69.5	-100.8	0	0	0	113.5	N264 A267 L270 L274 G296 I297 T298 L371 E373 L375	N264-Y323 PolarHBondContact N-O 3Å; A267-Y323 HydrophobicContact CB-CG 4.33Å; L270-Y323 HydrophobicContact CD1-CD2 4.31Å; L274-Y323 HydrophobicContact CD1-CE2 4.14Å; G296-Y323 WeakPolarHBondContact O-CD1 3.19Å; G296-Y323 PolarHBondContact O-N 3.21Å; I297-Y323 VanDerWaalsContact N-CE1 3.31Å; I297-Y323 WeakPolarHBondContact O-CE1 2.81Å; T298-Y323 HydrophobicContact CG2-CD1 4.41Å; Y323-L371 HydrophobicContact CE2-CD1 4.35Å; Y323-L371 WeakPolarHBondContact OH-CD1 3.45Å; Y323-E373 PolarHBondContact OH-O 2.81Å; Y323-E373 VanDerWaalsContact OH-O 3.08Å; Y323-L375 HydrophobicContact CD1-CB 3.9Å; Y323-L375 HydrophobicContact CD1-CD1 4.39Å; Y323-L375 HydrophobicContact CD1-CG 4.16Å; Y323-L375 HydrophobicContact CD2-CD1 3.58Å; Y323-L375 HydrophobicContact CD2-CG 4.16Å; Y323-L375 HydrophobicContact CE1-CB 4.21Å; Y323-L375 HydrophobicContact CE1-CG 4.1Å; Y323-L375 HydrophobicContact CE2-CD1 3.81Å; Y323-L375 HydrophobicContact CE2-CG 4.13Å; Y323-L375 HydrophobicContact CG-CB 4.1Å; Y323-L375 HydrophobicContact CG-CD1 3.92Å; Y323-L375 HydrophobicContact CG-CG 4.2Å
324	L	83.3	Confident	64.4	Low	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.4	-176.1	179.6	151.7	0	0	0	110.4	I261 L262 L275 T278 V294 G296 L322 L371	I261-L324 HydrophobicContact CG2-CD1 4.07Å; I261-L324 HydrophobicContact CG2-CG 4.07Å; L262-L324 CarbonylContact O-C 3.57Å; L262-L324 VanDerWaalsContact O-CA 3.31Å; L262-L324 WeakPolarHBondContact O-CA 3.47Å; L275-L324 HydrophobicContact CD2-CD1 3.92Å; T278-L324 HydrophobicContact CG2-CD2 3.79Å; T278-L324 WeakPolarHBondContact OG1-CD2 3.26Å; V294-L324 HydrophobicContact CG1-CD2 4.38Å; G296-L324 PolarHBondContact N-O 3.35Å; G296-L324 PolarHBondContact O-N 2.81Å; L322-L324 WeakPolarHBondContact CD1-O 3.1Å; L324-L371 HydrophobicContact CD2-CD1 4.17Å
325	F	85.7	Confident	66.3	Low	3 Å²	3	55.2 Å²	55.2	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.9	169.5	176.5	-141.2	0	0	0	110.1	L249 I261 L262 F293 V294 L295 L322 L327 W346 L355 I359	L249-F325 HydrophobicContact CD1-CE1 4.49Å; L249-F325 HydrophobicContact CD2-CE1 4.23Å; I261-F325 CarbonylContact C-O 3.5Å; I261-F325 WeakPolarHBondContact CA-O 3.27Å; L262-F325 HydrophobicContact CB-CB 4.28Å; L262-F325 HydrophobicContact CD1-CB 4.45Å; L262-F325 HydrophobicContact CD1-CD1 3.65Å; L262-F325 HydrophobicContact CD1-CE1 4.29Å; L262-F325 HydrophobicContact CD1-CG 4.34Å; L262-F325 PolarHBondContact N-O 2.97Å; L262-F325 PolarHBondContact O-N 3.2Å; F293-F325 HydrophobicContact CB-CE2 4.26Å; F293-F325 AromaticContact CD1-CE2 3.51Å; F293-F325 HydrophobicContact CD1-CE2 3.51Å; F293-F325 AromaticContact CD1-CZ 3.66Å; F293-F325 HydrophobicContact CD1-CZ 3.66Å; F293-F325 HydrophobicContact CE1-CE2 4.27Å; F293-F325 AromaticContact CE1-CZ 3.96Å; F293-F325 HydrophobicContact CE1-CZ 3.96Å; F293-F325 HydrophobicContact CG-CE2 4.24Å; V294-F325 CarbonylContact O-C 3.57Å; V294-F325 WeakPolarHBondContact O-CA 3.23Å; L295-F325 HydrophobicContact CD2-CD2 3.49Å; L295-F325 VanDerWaalsContact CD2-CD2 3.49Å; L295-F325 HydrophobicContact CD2-CE2 4.01Å; L295-F325 HydrophobicContact CD2-CG 4.32Å; L322-F325 HydrophobicContact CD2-CB 4.3Å; F325-L327 HydrophobicContact CE1-CD2 4.16Å; F325-L327 HydrophobicContact CZ-CB 4.23Å; F325-W346 HydrophobicContact CB-CH2 3.49Å; F325-W346 VanDerWaalsContact CB-CH2 3.49Å; F325-W346 HydrophobicContact CB-CZ3 4.02Å; F325-W346 HydrophobicContact CD1-CZ3 4.38Å; F325-W346 HydrophobicContact CG-CH2 4.47Å; F325-L355 HydrophobicContact CD1-CD2 4.3Å; F325-L355 HydrophobicContact CD2-CD2 4.04Å; F325-L355 HydrophobicContact CE1-CD2 4.49Å; F325-L355 HydrophobicContact CE2-CD2 4.15Å; F325-L355 HydrophobicContact CG-CD2 4.1Å; F325-L355 HydrophobicContact CZ-CD1 4.47Å; F325-L355 HydrophobicContact CZ-CD2 4.4Å; F325-I359 HydrophobicContact CE2-CD1 4.26Å; F325-I359 HydrophobicContact CZ-CD1 4.45Å
326	G	83.9	Confident	68.4	Low	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.7	169.7	0	0	0	0	0	110.7	I260 F293 V294	I260-G326 CarbonylContact O-C 3.45Å; I260-G326 WeakPolarHBondContact O-CA 3.09Å; F293-G326 CarbonylContact C-O 3.48Å; F293-G326 WeakPolarHBondContact CA-O 3.34Å; V294-G326 PolarHBondContact N-O 3.35Å; V294-G326 PolarHBondContact O-N 3.41Å
327	L	85.8	Confident	70.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.1	170.5	83.3	114.9	0	0	0	112	L249 L253 Y259 I260 L262 F293 F325 I333	L249-L327 HydrophobicContact CD2-CD2 3.34Å; L253-L327 HydrophobicContact CD2-CD1 4.17Å; Y259-L327 WeakPolarHBondContact CA-O 3.2Å; I260-L327 HydrophobicContact CB-CD2 3.7Å; I260-L327 HydrophobicContact CB-CG 3.86Å; I260-L327 HydrophobicContact CD1-CD1 4.04Å; I260-L327 HydrophobicContact CD1-CD2 4.06Å; I260-L327 HydrophobicContact CD1-CG 4.15Å; I260-L327 HydrophobicContact CG1-CD2 4.44Å; I260-L327 HydrophobicContact CG1-CG 4.41Å; I260-L327 HydrophobicContact CG2-CD2 4.02Å; I260-L327 PolarHBondContact N-O 3.28Å; I260-L327 PolarHBondContact O-N 3.22Å; L262-L327 HydrophobicContact CD1-CD2 3.87Å; F293-L327 HydrophobicContact CD1-CB 3.85Å; F293-L327 HydrophobicContact CE1-CB 3.95Å; F325-L327 HydrophobicContact CE1-CD2 4.16Å; F325-L327 HydrophobicContact CZ-CB 4.23Å; L327-I333 HydrophobicContact CD1-CD1 3.69Å
328	K	79.8	Confident	71.8	Confident	34 Å²	34	39.6 Å²	39.6	15%	0.148	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.1	168	-165.7	169.3	-173	168.5	0	109.1	D258 Y259 D292 Q330 I333	D258-K328 CarbonylContact O-C 3.52Å; Y259-K328 HydrophobicContact CD1-CG 4.44Å; Y259-K328 HydrophobicContact CE1-CG 4.17Å; D292-K328 PolarHBondContact O-N 2.9Å; K328-Q330 PolarHBondContact O-N 2.83Å; K328-I333 WeakPolarHBondContact O-CD1 3.48Å
329	G	69.7	Low	73.4	Confident	18 Å²	18	36.5 Å²	36.5	19%	0.186	19%	0.194	C	C	.	.			trans	-64.9	105.5	-176.3	0	0	0	0	0	111.5	L257 D258	L257-G329 WeakPolarHBondContact O-CA 3.4Å; D258-G329 PolarHBondContact O-N 3.15Å
330	Q	70	Confident	74.4	Confident	42 Å²	42	35.2 Å²	35.2	20%	0.196	19%	0.185	C	C	.	.			trans	-130.5	132.8	177.8	-66.5	173.3	-21.9	0	0	108.9	K328 H332 I333	K328-Q330 PolarHBondContact O-N 2.83Å; Q330-H332 WeakPolarHBondContact CB-CE1 3.45Å; Q330-H332 VanDerWaalsContact CD-CE1 3.49Å; Q330-H332 PolarHBondContact O-N 3.06Å; Q330-H332 PolarHBondContact OE1-CE1 2.72Å; Q330-H332 PolarHBondContact OE1-NE2 3.05Å; Q330-I333 HydrophobicContact CB-CD1 4.34Å; Q330-I333 HydrophobicContact CB-CG1 4.44Å; Q330-I333 WeakPolarHBondContact O-CB 3.37Å; Q330-I333 PolarHBondContact O-N 3.04Å
331	H	61.2	Low	75.1	Confident	137 Å²	137	35.2 Å²	35.2	63%	0.634	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.9	-174.1	-74.3	-67.6	0	0	0	114.3	N256 I333 M334	N256-H331 PolarHBondContact OD1-CE1 3.26Å; N256-H331 VanDerWaalsContact OD1-CE1 3.24Å; H331-I333 PolarHBondContact O-N 3.37Å; H331-M334 WeakPolarHBondContact O-CB 3.41Å; H331-M334 PolarHBondContact O-N 2.97Å; H331-M334 VanDerWaalsContact O-N 3.16Å
332	H	64.7	Low	75.3	Confident	87 Å²	87	37 Å²	37	40%	0.403	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19	178.1	62.4	-100.7	0	0	0	113.7	Q330 M334 S335 K366	Q330-H332 WeakPolarHBondContact CB-CE1 3.45Å; Q330-H332 VanDerWaalsContact CD-CE1 3.49Å; Q330-H332 PolarHBondContact O-N 3.06Å; Q330-H332 PolarHBondContact OE1-CE1 2.72Å; Q330-H332 PolarHBondContact OE1-NE2 3.05Å; H332-M334 PolarHBondContact O-N 2.99Å; H332-S335 PolarHBondContact O-OG 3.34Å; H332-S335 VanDerWaalsContact O-OG 3.05Å; H332-K366 WeakPolarHBondContact NE2-CE 3.46Å; H332-K366 PolarHBondContact NE2-NZ 3.07Å
333	I	70.2	Confident	75.1	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-28.2	174.2	-59.5	175.2	0	0	0	109.7	L253 F293 L327 K328 Q330 H331 S335 N336 I337 I340	L253-I333 HydrophobicContact CD1-CB 4.26Å; L253-I333 HydrophobicContact CD1-CG2 3.99Å; F293-I333 HydrophobicContact CE1-CD1 4.3Å; F293-I333 HydrophobicContact CZ-CD1 4.21Å; L327-I333 HydrophobicContact CD1-CD1 3.69Å; K328-I333 WeakPolarHBondContact O-CD1 3.48Å; Q330-I333 HydrophobicContact CB-CD1 4.34Å; Q330-I333 HydrophobicContact CB-CG1 4.44Å; Q330-I333 WeakPolarHBondContact O-CB 3.37Å; Q330-I333 PolarHBondContact O-N 3.04Å; H331-I333 PolarHBondContact O-N 3.37Å; I333-S335 VanDerWaalsContact C-N 3.29Å; I333-S335 PolarHBondContact O-N 3.26Å; I333-N336 CarbonylContact O-C 3.31Å; I333-N336 PolarHBondContact O-N 2.9Å; I333-I337 WeakPolarHBondContact O-CG1 3.42Å; I333-I337 PolarHBondContact O-N 3.05Å; I333-I340 HydrophobicContact CG2-CD1 3.75Å
334	M	68	Low	74.9	Confident	64 Å²	64	44.2 Å²	44.2	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-56.4	-38.5	-177.7	-169.8	68.9	76.6	0	0	113.3	K250 L253 K254 H331 H332 N336 I337	K250-M334 HydrophobicContact CG-SD 4.46Å; L253-M334 HydrophobicContact CB-CE 3.4Å; L253-M334 VanDerWaalsContact CB-CE 3.4Å; L253-M334 HydrophobicContact CB-SD 4.37Å; K254-M334 HydrophobicContact CG-CE 3.86Å; H331-M334 WeakPolarHBondContact O-CB 3.41Å; H331-M334 PolarHBondContact O-N 2.97Å; H331-M334 VanDerWaalsContact O-N 3.16Å; H332-M334 PolarHBondContact O-N 2.99Å; M334-N336 VanDerWaalsContact C-N 3.25Å; M334-N336 PolarHBondContact O-N 3.38Å; M334-I337 HydrophobicContact CG-CD1 4.42Å; M334-I337 HydrophobicContact SD-CD1 3.43Å; M334-I337 WeakPolarHBondContact SD-CD1 3.28Å
335	S	69.8	Low	74.3	Confident	96 Å²	96	49.7 Å²	49.7	67%	0.671	26%	0.264	S	S	*	.	H	α-helix	trans	-70.5	-23.7	178.1	58.9	0	0	0	0	112.9	H332 I333	H332-S335 PolarHBondContact O-OG 3.34Å; H332-S335 VanDerWaalsContact O-OG 3.05Å; I333-S335 VanDerWaalsContact C-N 3.29Å; I333-S335 PolarHBondContact O-N 3.26Å
336	N	76.9	Confident	73.6	Confident	42 Å²	42	49.8 Å²	49.8	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-105.7	2.1	-174.3	-65.4	-2	0	0	0	113	I333 M334 K338 S339 I340 S362 L363	I333-N336 CarbonylContact O-C 3.31Å; I333-N336 PolarHBondContact O-N 2.9Å; M334-N336 VanDerWaalsContact C-N 3.25Å; M334-N336 PolarHBondContact O-N 3.38Å; N336-K338 PolarHBondContact O-N 3.28Å; N336-S339 PolarHBondContact O-N 2.94Å; N336-S339 PolarHBondContact O-OG 3.21Å; N336-I340 HydrophobicContact CB-CD1 4.29Å; N336-I340 VanDerWaalsContact O-CG1 3.29Å; N336-I340 WeakPolarHBondContact O-CG1 3.38Å; N336-I340 PolarHBondContact O-N 2.76Å; N336-S362 PolarHBondContact ND2-O 3.43Å; N336-S362 VanDerWaalsContact ND2-O 3.08Å; N336-L363 HydrophobicContact CB-CD2 4.46Å; N336-L363 VanDerWaalsContact ND2-CD2 3.31Å; N336-L363 WeakPolarHBondContact ND2-CD2 3.38Å
337	I	75.4	Confident	72.7	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-42.8	-179.4	-61.5	173.4	0	0	0	111.1	E246 L249 K250 L253 I333 M334 S339 I340 C341	E246-I337 HydrophobicContact CG-CG2 4Å; L249-I337 HydrophobicContact CB-CG2 4.31Å; K250-I337 HydrophobicContact CB-CD1 4.33Å; K250-I337 HydrophobicContact CG-CD1 3.53Å; K250-I337 HydrophobicContact CG-CG2 4.23Å; L253-I337 HydrophobicContact CD1-CD1 3.55Å; L253-I337 HydrophobicContact CD1-CG1 3.96Å; I333-I337 WeakPolarHBondContact O-CG1 3.42Å; I333-I337 PolarHBondContact O-N 3.05Å; M334-I337 HydrophobicContact CG-CD1 4.42Å; M334-I337 HydrophobicContact SD-CD1 3.43Å; M334-I337 WeakPolarHBondContact SD-CD1 3.28Å; I337-S339 VanDerWaalsContact C-N 3.28Å; I337-S339 PolarHBondContact O-N 3.26Å; I337-I340 PolarHBondContact O-N 3.47Å; I337-C341 WeakPolarHBondContact O-CB 3.09Å; I337-C341 PolarHBondContact O-N 3.17Å; I337-C341 PolarHBondContact O-SG 3.17Å
338	K	77.4	Confident	71.8	Confident	146 Å²	146	51.7 Å²	51.7	64%	0.635	28%	0.278	S	S	*	.	H	α-helix	trans	-61.7	-36.1	179.1	-75.4	-170.7	174.8	-171.8	0	112.7	N336 A342	N336-K338 PolarHBondContact O-N 3.28Å; K338-A342 WeakPolarHBondContact O-CB 3.43Å; K338-A342 PolarHBondContact O-N 3.22Å
339	S	77.7	Confident	71.1	Confident	49 Å²	49	53.9 Å²	53.9	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-78.7	-31.9	177.3	50.6	0	0	0	0	112.2	N336 I337 N358 S362	N336-S339 PolarHBondContact O-N 2.94Å; N336-S339 PolarHBondContact O-OG 3.21Å; I337-S339 VanDerWaalsContact C-N 3.28Å; I337-S339 PolarHBondContact O-N 3.26Å; S339-N358 WeakPolarHBondContact O-CB 2.88Å; S339-S362 WeakPolarHBondContact OG-CB 3.5Å
340	I	78.1	Confident	71.1	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-42.4	173.9	-64.9	165.1	0	0	0	111.1	I333 N336 I337 L355 N358 L363	I333-I340 HydrophobicContact CG2-CD1 3.75Å; N336-I340 HydrophobicContact CB-CD1 4.29Å; N336-I340 VanDerWaalsContact O-CG1 3.29Å; N336-I340 WeakPolarHBondContact O-CG1 3.38Å; N336-I340 PolarHBondContact O-N 2.76Å; I337-I340 PolarHBondContact O-N 3.47Å; I340-L355 HydrophobicContact CG2-CD1 3.68Å; I340-N358 WeakPolarHBondContact O-CB 3.24Å; I340-N358 PolarHBondContact O-ND2 3.02Å; I340-L363 HydrophobicContact CD1-CD1 3.94Å
341	C	77	Confident	71.3	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.041	29%	0.291	C	S	.	.	S	Bend	trans	-87.2	-0.9	-179.1	-61.1	0	0	0	0	114.1	E246 I337 N343 L344	E246-C341 HydrophobicContact CB-CB 4.23Å; I337-C341 WeakPolarHBondContact O-CB 3.09Å; I337-C341 PolarHBondContact O-N 3.17Å; I337-C341 PolarHBondContact O-SG 3.17Å; C341-N343 PolarHBondContact O-N 3.47Å; C341-L344 PolarHBondContact O-N 3.26Å
342	A	74.2	Confident	72	Confident	38 Å²	38	48.3 Å²	48.3	31%	0.314	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	125.2	-177.1	0	0	0	0	0	110.9	K338 L344 N358	K338-A342 WeakPolarHBondContact O-CB 3.43Å; K338-A342 PolarHBondContact O-N 3.22Å; A342-L344 PolarHBondContact O-N 3.5Å; A342-N358 PolarHBondContact O-ND2 3.21Å
343	N	70.7	Confident	72.4	Confident	151 Å²	151	46.1 Å²	46.1	81%	0.807	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	17.9	-179.4	-54.1	-24	0	0	0	114.7	C341	C341-N343 PolarHBondContact O-N 3.47Å
344	L	73.4	Confident	72.7	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.			trans	-94.5	107.6	-178.1	-179.9	62	0	0	0	110.3	S242 L245 C341 A342 A351 I354 L355	S242-L344 WeakPolarHBondContact CA-O 3.33Å; S242-L344 WeakPolarHBondContact CB-O 3.4Å; L245-L344 HydrophobicContact CD2-CD2 3.27Å; L245-L344 HydrophobicContact CD2-CG 3.92Å; C341-L344 PolarHBondContact O-N 3.26Å; A342-L344 PolarHBondContact O-N 3.5Å; L344-A351 HydrophobicContact CD1-CB 4.05Å; L344-A351 WeakPolarHBondContact CD1-O 3.45Å; L344-I354 HydrophobicContact CB-CG2 4.08Å; L344-I354 HydrophobicContact CD1-CB 3.99Å; L344-I354 HydrophobicContact CD1-CG2 4.02Å; L344-L355 HydrophobicContact CD1-CB 4.16Å; L344-L355 HydrophobicContact CD2-CB 3.99Å; L344-L355 HydrophobicContact CD2-CD1 3.73Å; L344-L355 HydrophobicContact CD2-CG 4.34Å
345	E	71.1	Confident	73.3	Confident	114 Å²	114	44.9 Å²	44.9	53%	0.533	25%	0.249	S	C	.	.			trans	-90.2	110.5	165.9	-72.7	179	-172.8	0	0	109.2	S347 S348 A351	E345-S347 PolarHBondContact O-N 2.97Å; E345-S347 VanDerWaalsContact O-N 3.14Å; E345-S348 WeakPolarHBondContact O-CB 3.4Å; E345-S348 PolarHBondContact O-N 2.66Å; E345-S348 PolarHBondContact O-OG 3.16Å; E345-A351 WeakPolarHBondContact O-CB 3.2Å
346	W	70.7	Confident	73.7	Confident	6 Å²	6	43.8 Å²	43.8	2%	0.023	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.5	-173	-176.3	-107.9	0	0	0	114	I66 L245 L262 N264 L322 F325	I66-W346 HydrophobicContact CD1-CD2 4.19Å; I66-W346 HydrophobicContact CD1-CG 4.3Å; L245-W346 HydrophobicContact CD1-CD2 4.2Å; L245-W346 HydrophobicContact CD1-CE3 3.57Å; L245-W346 HydrophobicContact CD1-CZ3 3.76Å; L245-W346 HydrophobicContact CD2-CE3 3.8Å; L245-W346 HydrophobicContact CD2-CZ3 4.34Å; L245-W346 HydrophobicContact CG-CE3 4.25Å; L262-W346 HydrophobicContact CB-CH2 3.85Å; L262-W346 HydrophobicContact CB-CZ2 3.98Å; N264-W346 HydrophobicContact CB-CZ2 4.36Å; L322-W346 HydrophobicContact CD2-CE3 3.87Å; L322-W346 HydrophobicContact CD2-CH2 3.42Å; L322-W346 VanDerWaalsContact CD2-CH2 3.42Å; L322-W346 HydrophobicContact CD2-CZ2 4.31Å; L322-W346 HydrophobicContact CD2-CZ3 3.19Å; L322-W346 HydrophobicContact CG-CH2 4.12Å; L322-W346 HydrophobicContact CG-CZ3 4.3Å; F325-W346 HydrophobicContact CB-CH2 3.49Å; F325-W346 VanDerWaalsContact CB-CH2 3.49Å; F325-W346 HydrophobicContact CB-CZ3 4.02Å; F325-W346 HydrophobicContact CD1-CZ3 4.38Å; F325-W346 HydrophobicContact CG-CH2 4.47Å
347	S	64.9	Low	73.7	Confident	19 Å²	19	48.1 Å²	48.1	13%	0.133	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.1	-178.6	59	0	0	0	0	113.9	R266 E345	R266-S347 PolarHBondContact NH1-O 3.36Å; E345-S347 PolarHBondContact O-N 2.97Å; E345-S347 VanDerWaalsContact O-N 3.14Å
348	S	66.4	Low	74	Confident	22 Å²	22	49.1 Å²	49.1	15%	0.154	25%	0.248	C	C	.	.	S	Bend	trans	-81.9	149.8	179.6	69	0	0	0	0	111.3	E345 N350 A351	E345-S348 WeakPolarHBondContact O-CB 3.4Å; E345-S348 PolarHBondContact O-N 2.66Å; E345-S348 PolarHBondContact O-OG 3.16Å; S348-N350 PolarHBondContact O-N 3.05Å; S348-A351 VanDerWaalsContact O-CB 3.24Å; S348-A351 WeakPolarHBondContact O-CB 3.15Å; S348-A351 PolarHBondContact O-N 3.49Å; S348-A351 PolarHBondContact OG-N 3.06Å
349	I	65.9	Low	74	Confident	80 Å²	80	42.5 Å²	42.5	41%	0.41	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.1	176.2	-48.7	172.6	0	0	0	111.1	S319 N320 G321	S319-I349 CarbonylContact C-O 3.52Å; S319-I349 VanDerWaalsContact C-O 3.22Å; S319-I349 WeakPolarHBondContact CB-O 3.18Å; S319-I349 VanDerWaalsContact OG-CG2 3.31Å; S319-I349 WeakPolarHBondContact OG-CG2 3.19Å; N320-I349 CarbonylContact C-O 3.55Å; N320-I349 WeakPolarHBondContact CA-O 3.37Å; N320-I349 PolarHBondContact N-O 3.36Å; N320-I349 VanDerWaalsContact N-O 3.12Å; G321-I349 PolarHBondContact N-O 3.25Å; G321-I349 VanDerWaalsContact N-O 3.1Å
350	N	70.2	Confident	74	Confident	76 Å²	76	46.5 Å²	46.5	41%	0.406	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	7.1	-178.3	-54.7	8.3	0	0	0	112.3	S319 N320 S348 A352 D353 I354	S319-N350 WeakPolarHBondContact CB-OD1 3.46Å; S319-N350 PolarHBondContact OG-OD1 2.55Å; N320-N350 CarbonylContact O-C 3.51Å; S348-N350 PolarHBondContact O-N 3.05Å; N350-A352 VanDerWaalsContact C-N 3.31Å; N350-A352 PolarHBondContact O-N 3.18Å; N350-D353 PolarHBondContact O-N 3.22Å; N350-I354 HydrophobicContact CB-CD1 4.15Å; N350-I354 WeakPolarHBondContact O-CG1 3.22Å; N350-I354 PolarHBondContact O-N 3.16Å; N350-I354 VanDerWaalsContact O-N 3.09Å
351	A	74.3	Confident	73.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-41.1	-170.8	0	0	0	0	0	112.8	N320 L322 L344 E345 S348 L355	N320-A351 PolarHBondContact O-N 2.97Å; L322-A351 HydrophobicContact CB-CB 3.99Å; L344-A351 HydrophobicContact CD1-CB 4.05Å; L344-A351 WeakPolarHBondContact CD1-O 3.45Å; E345-A351 WeakPolarHBondContact O-CB 3.2Å; S348-A351 VanDerWaalsContact O-CB 3.24Å; S348-A351 WeakPolarHBondContact O-CB 3.15Å; S348-A351 PolarHBondContact O-N 3.49Å; S348-A351 PolarHBondContact OG-N 3.06Å; A351-L355 VanDerWaalsContact O-CB 3.24Å; A351-L355 WeakPolarHBondContact O-CB 3.36Å; A351-L355 PolarHBondContact O-N 2.91Å
352	A	75.4	Confident	73.7	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-37.9	-178.8	0	0	0	0	0	112	I297 N320 L322 N350 L355 Y356	I297-A352 HydrophobicContact CG2-CB 3.68Å; N320-A352 HydrophobicContact CB-CB 3.95Å; N320-A352 WeakPolarHBondContact O-CB 3.4Å; N320-A352 PolarHBondContact O-N 3.27Å; L322-A352 HydrophobicContact CB-CB 4.28Å; L322-A352 HydrophobicContact CD1-CB 4.13Å; N350-A352 VanDerWaalsContact C-N 3.31Å; N350-A352 PolarHBondContact O-N 3.18Å; A352-L355 PolarHBondContact O-N 3.02Å; A352-Y356 VanDerWaalsContact O-CB 3.26Å; A352-Y356 WeakPolarHBondContact O-CB 3.42Å; A352-Y356 PolarHBondContact O-N 2.83Å
353	D	72.5	Confident	73.6	Confident	42 Å²	42	50.8 Å²	50.8	23%	0.225	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-41.8	-179.4	-58.6	-41.2	0	0	0	111	S319 N320 N350 R357	S319-D353 WeakPolarHBondContact CA-OD2 3.2Å; N320-D353 PolarHBondContact N-OD2 3.24Å; N320-D353 PolarHBondContact ND2-OD1 2.66Å; N350-D353 PolarHBondContact O-N 3.22Å; D353-R357 WeakPolarHBondContact O-CB 3.39Å; D353-R357 PolarHBondContact O-N 3.26Å
354	I	76.7	Confident	73.1	Confident	45 Å²	45	53.9 Å²	53.9	23%	0.231	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-46.1	176	-63.5	169.3	0	0	0	110.3	L344 N350 Y356 R357 N358	L344-I354 HydrophobicContact CB-CG2 4.08Å; L344-I354 HydrophobicContact CD1-CB 3.99Å; L344-I354 HydrophobicContact CD1-CG2 4.02Å; N350-I354 HydrophobicContact CB-CD1 4.15Å; N350-I354 WeakPolarHBondContact O-CG1 3.22Å; N350-I354 PolarHBondContact O-N 3.16Å; N350-I354 VanDerWaalsContact O-N 3.09Å; I354-Y356 PolarHBondContact O-N 3.16Å; I354-R357 PolarHBondContact O-N 3.07Å; I354-N358 WeakPolarHBondContact O-CB 3.41Å; I354-N358 PolarHBondContact O-N 3.06Å; I354-N358 PolarHBondContact O-ND2 3.16Å; I354-N358 PolarHBondContact O-OD1 3.27Å
355	L	80.4	Confident	72.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-44.7	178.3	-179.5	63	0	0	0	111.3	L295 L322 F325 I340 L344 A351 A352 R357 N358 I359	L295-L355 HydrophobicContact CD2-CD2 3.56Å; L295-L355 HydrophobicContact CD2-CG 4.49Å; L322-L355 HydrophobicContact CD2-CD2 3.52Å; F325-L355 HydrophobicContact CD1-CD2 4.3Å; F325-L355 HydrophobicContact CD2-CD2 4.04Å; F325-L355 HydrophobicContact CE1-CD2 4.49Å; F325-L355 HydrophobicContact CE2-CD2 4.15Å; F325-L355 HydrophobicContact CG-CD2 4.1Å; F325-L355 HydrophobicContact CZ-CD1 4.47Å; F325-L355 HydrophobicContact CZ-CD2 4.4Å; I340-L355 HydrophobicContact CG2-CD1 3.68Å; L344-L355 HydrophobicContact CD1-CB 4.16Å; L344-L355 HydrophobicContact CD2-CB 3.99Å; L344-L355 HydrophobicContact CD2-CD1 3.73Å; L344-L355 HydrophobicContact CD2-CG 4.34Å; A351-L355 VanDerWaalsContact O-CB 3.24Å; A351-L355 WeakPolarHBondContact O-CB 3.36Å; A351-L355 PolarHBondContact O-N 2.91Å; A352-L355 PolarHBondContact O-N 3.02Å; L355-R357 PolarHBondContact O-N 2.91Å; L355-N358 PolarHBondContact O-N 3.36Å; L355-I359 HydrophobicContact CD1-CD1 4.03Å; L355-I359 HydrophobicContact CD1-CG1 4.26Å; L355-I359 HydrophobicContact CG-CD1 3.88Å; L355-I359 HydrophobicContact CG-CG1 4.48Å; L355-I359 VanDerWaalsContact O-CG1 3.28Å; L355-I359 WeakPolarHBondContact O-CG1 3.29Å; L355-I359 PolarHBondContact O-N 3.27Å
356	Y	78	Confident	72.7	Confident	72 Å²	72	58.6 Å²	58.6	28%	0.282	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-46.5	176.6	-177.9	-84.7	0	0	0	111.4	L305 A352 I354 N358 I359 Y360 L368	L305-Y356 HydrophobicContact CB-CE1 4.26Å; L305-Y356 HydrophobicContact CD1-CD1 4.34Å; L305-Y356 HydrophobicContact CD1-CE1 4.34Å; L305-Y356 HydrophobicContact CD1-CG 4.44Å; L305-Y356 HydrophobicContact CD2-CD1 3.47Å; L305-Y356 VanDerWaalsContact CD2-CD1 3.47Å; L305-Y356 HydrophobicContact CD2-CE1 3.76Å; L305-Y356 HydrophobicContact CD2-CG 4.13Å; L305-Y356 HydrophobicContact CG-CD1 4.39Å; L305-Y356 HydrophobicContact CG-CE1 4.35Å; A352-Y356 VanDerWaalsContact O-CB 3.26Å; A352-Y356 WeakPolarHBondContact O-CB 3.42Å; A352-Y356 PolarHBondContact O-N 2.83Å; I354-Y356 PolarHBondContact O-N 3.16Å; Y356-N358 VanDerWaalsContact C-N 3.33Å; Y356-N358 PolarHBondContact O-N 3.08Å; Y356-I359 PolarHBondContact O-N 3.03Å; Y356-Y360 WeakPolarHBondContact O-CB 3.29Å; Y356-Y360 PolarHBondContact O-N 3.23Å; Y356-L368 HydrophobicContact CD2-CD1 4.05Å; Y356-L368 HydrophobicContact CD2-CD2 4Å; Y356-L368 HydrophobicContact CE2-CD2 4.05Å
357	R	78.2	Confident	72.9	Confident	134 Å²	134	62.1 Å²	62.1	51%	0.506	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-46.6	175.9	180	175.4	-168.6	-173.1	10.6	111.3	D308 D353 I354 L355 Y360 H361	D308-R357 IonicContact OD1-CZ 4Å; D308-R357 IonicContact OD1-NE 2.84Å; D308-R357 IonicContact OD1-NH2 3.67Å; D308-R357 PolarHBondContact OD1-NH2 3.16Å; D353-R357 WeakPolarHBondContact O-CB 3.39Å; D353-R357 PolarHBondContact O-N 3.26Å; I354-R357 PolarHBondContact O-N 3.07Å; L355-R357 PolarHBondContact O-N 2.91Å; R357-Y360 PolarHBondContact O-N 3.1Å; R357-H361 VanDerWaalsContact CG-CD2 3.45Å; R357-H361 WeakPolarHBondContact CG-CD2 3.42Å; R357-H361 PolarHBondContact NE-NE2 3.24Å; R357-H361 PolarHBondContact O-CD2 2.99Å; R357-H361 PolarHBondContact O-N 2.79Å
358	N	80.7	Confident	73.4	Confident	23 Å²	23	63.3 Å²	63.3	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-41.4	-179.3	-69.8	-9.5	0	0	0	111.9	S339 I340 A342 I354 L355 Y356 S362	S339-N358 WeakPolarHBondContact O-CB 2.88Å; I340-N358 WeakPolarHBondContact O-CB 3.24Å; I340-N358 PolarHBondContact O-ND2 3.02Å; A342-N358 PolarHBondContact O-ND2 3.21Å; I354-N358 WeakPolarHBondContact O-CB 3.41Å; I354-N358 PolarHBondContact O-N 3.06Å; I354-N358 PolarHBondContact O-ND2 3.16Å; I354-N358 PolarHBondContact O-OD1 3.27Å; L355-N358 PolarHBondContact O-N 3.36Å; Y356-N358 VanDerWaalsContact C-N 3.33Å; Y356-N358 PolarHBondContact O-N 3.08Å; N358-S362 WeakPolarHBondContact O-CB 2.95Å; N358-S362 PolarHBondContact O-N 3.23Å; N358-S362 PolarHBondContact O-OG 2.88Å
359	I	77.5	Confident	74	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-47.2	174.9	-68.3	168.5	0	0	0	110.2	F293 F325 L355 Y356 H361 S362 L363 L368	F293-I359 HydrophobicContact CD1-CD1 4.44Å; F293-I359 HydrophobicContact CD2-CD1 4.5Å; F293-I359 HydrophobicContact CD2-CG2 4.06Å; F293-I359 HydrophobicContact CE2-CG2 3.98Å; F293-I359 HydrophobicContact CG-CD1 4.3Å; F325-I359 HydrophobicContact CE2-CD1 4.26Å; F325-I359 HydrophobicContact CZ-CD1 4.45Å; L355-I359 HydrophobicContact CD1-CD1 4.03Å; L355-I359 HydrophobicContact CD1-CG1 4.26Å; L355-I359 HydrophobicContact CG-CD1 3.88Å; L355-I359 HydrophobicContact CG-CG1 4.48Å; L355-I359 VanDerWaalsContact O-CG1 3.28Å; L355-I359 WeakPolarHBondContact O-CG1 3.29Å; L355-I359 PolarHBondContact O-N 3.27Å; Y356-I359 PolarHBondContact O-N 3.03Å; I359-H361 VanDerWaalsContact C-N 3.34Å; I359-H361 PolarHBondContact O-N 3.48Å; I359-S362 PolarHBondContact O-N 3.5Å; I359-L363 WeakPolarHBondContact O-CA 3.3Å; I359-L363 WeakPolarHBondContact O-CB 3.48Å; I359-L363 PolarHBondContact O-N 3.07Å; I359-L368 HydrophobicContact CD1-CD1 3.84Å; I359-L368 HydrophobicContact CG2-CD1 4.39Å
360	Y	77.2	Confident	74.6	Confident	134 Å²	134	63 Å²	63	53%	0.525	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-40.9	-179.3	-173.8	-97.9	0	0	0	112.8	Y356 R357	Y356-Y360 WeakPolarHBondContact O-CB 3.29Å; Y356-Y360 PolarHBondContact O-N 3.23Å; R357-Y360 PolarHBondContact O-N 3.1Å
361	H	76.7	Confident	74.9	Confident	93 Å²	93	59.5 Å²	59.5	43%	0.431	28%	0.279	S	S	.	.	H	α-helix	trans	-75.6	-40	177.7	-70.5	-59.5	0	0	0	113.5	D308 R357 I359	D308-H361 IonicContact OD1-NE2 3.17Å; D308-H361 IonicContact OD2-CE1 3.78Å; D308-H361 PolarHBondContact OD2-CE1 2.74Å; D308-H361 IonicContact OD2-NE2 3.02Å; R357-H361 VanDerWaalsContact CG-CD2 3.45Å; R357-H361 WeakPolarHBondContact CG-CD2 3.42Å; R357-H361 PolarHBondContact NE-NE2 3.24Å; R357-H361 PolarHBondContact O-CD2 2.99Å; R357-H361 PolarHBondContact O-N 2.79Å; I359-H361 VanDerWaalsContact C-N 3.34Å; I359-H361 PolarHBondContact O-N 3.48Å
362	S	72.1	Confident	74.4	Confident	27 Å²	27	70.3 Å²	70.3	19%	0.189	32%	0.32	C	S	.	.	H	α-helix	trans	-86.5	-25.4	-172.6	64.3	0	0	0	0	113.9	N336 S339 N358 I359	N336-S362 PolarHBondContact ND2-O 3.43Å; N336-S362 VanDerWaalsContact ND2-O 3.08Å; S339-S362 WeakPolarHBondContact OG-CB 3.5Å; N358-S362 WeakPolarHBondContact O-CB 2.95Å; N358-S362 PolarHBondContact O-N 3.23Å; N358-S362 PolarHBondContact O-OG 2.88Å; I359-S362 PolarHBondContact O-N 3.5Å
363	L	71.8	Confident	74	Confident	17 Å²	17	74 Å²	74	9%	0.089	34%	0.336	C	S	.	.			trans	-134.7	77.7	-170.5	-65.7	172.6	0	0	0	110.6	F293 N336 I340 I359 N365 K366	F293-L363 HydrophobicContact CE2-CD1 3.76Å; F293-L363 HydrophobicContact CZ-CD1 3.46Å; F293-L363 VanDerWaalsContact CZ-CD1 3.46Å; N336-L363 HydrophobicContact CB-CD2 4.46Å; N336-L363 VanDerWaalsContact ND2-CD2 3.31Å; N336-L363 WeakPolarHBondContact ND2-CD2 3.38Å; I340-L363 HydrophobicContact CD1-CD1 3.94Å; I359-L363 WeakPolarHBondContact O-CA 3.3Å; I359-L363 WeakPolarHBondContact O-CB 3.48Å; I359-L363 PolarHBondContact O-N 3.07Å; L363-N365 PolarHBondContact O-N 2.98Å; L363-K366 HydrophobicContact CB-CB 4.42Å; L363-K366 HydrophobicContact CB-CG 3.87Å; L363-K366 HydrophobicContact CD1-CG 4.49Å
364	R	61	Low	73.7	Confident	217 Å²	217	76.3 Å²	76.3	82%	0.819	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	131.5	169.7	-66.5	-177.2	178.9	-175.3	-1.1	109
365	N	65.2	Low	73.4	Confident	160 Å²	160	74.6 Å²	74.6	86%	0.856	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	28.5	178.7	-48.8	-14.9	0	0	0	117.1	L363	L363-N365 PolarHBondContact O-N 2.98Å
366	K	71.8	Confident	72.7	Confident	53 Å²	53	79.8 Å²	79.8	23%	0.23	36%	0.357	C	S	.	.			trans	-107.7	140.3	173.4	-67.9	-70.4	178.2	178.4	0	112.2	D292 F293 H332 L363	D292-K366 HydrophobicContact CB-CB 4.23Å; D292-K366 HydrophobicContact CB-CD 3.74Å; D292-K366 WeakPolarHBondContact OD1-CD 3.37Å; D292-K366 IonicContact OD1-NZ 2.7Å; D292-K366 PolarHBondContact OD1-NZ 3.25Å; D292-K366 WeakPolarHBondContact OD2-CA 3.29Å; D292-K366 WeakPolarHBondContact OD2-CD 3.16Å; D292-K366 IonicContact OD2-NZ 2.81Å; F293-K366 HydrophobicContact CD2-CB 4.12Å; F293-K366 HydrophobicContact CE2-CB 3.75Å; F293-K366 HydrophobicContact CE2-CD 4.4Å; F293-K366 HydrophobicContact CE2-CG 4Å; H332-K366 WeakPolarHBondContact NE2-CE 3.46Å; H332-K366 PolarHBondContact NE2-NZ 3.07Å; L363-K366 HydrophobicContact CB-CB 4.42Å; L363-K366 HydrophobicContact CB-CG 3.87Å; L363-K366 HydrophobicContact CD1-CG 4.49Å
367	N	74.1	Confident	72.1	Confident	79 Å²	79	77 Å²	77	42%	0.422	35%	0.346	S	S	.	.			trans	-91.7	125.8	179.9	-70.9	-30.8	0	0	0	110.4	Q290 D292 F293	Q290-N367 WeakPolarHBondContact O-CB 3.49Å; Q290-N367 PolarHBondContact O-ND2 2.79Å; D292-N367 PolarHBondContact N-O 3.17Å; D292-N367 PolarHBondContact OD2-N 3.41Å; F293-N367 PolarHBondContact N-O 3.25Å; F293-N367 VanDerWaalsContact N-O 3.07Å
368	L	76.3	Confident	71.4	Confident	45 Å²	45	71.1 Å²	71.1	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129	-178.5	-179.9	148.7	0	0	0	109.5	F293 L295 Y356 I359	F293-L368 HydrophobicContact CB-CB 4.32Å; F293-L368 HydrophobicContact CB-CD1 4.25Å; F293-L368 HydrophobicContact CB-CG 4.21Å; F293-L368 WeakPolarHBondContact O-CA 3.3Å; L295-L368 HydrophobicContact CD1-CD1 3.78Å; L295-L368 HydrophobicContact CD1-CD2 3.99Å; L295-L368 HydrophobicContact CD1-CG 4.22Å; L295-L368 HydrophobicContact CG-CD1 4.12Å; L295-L368 HydrophobicContact CG-CD2 4.34Å; L295-L368 HydrophobicContact CG-CG 4.27Å; Y356-L368 HydrophobicContact CD2-CD1 4.05Å; Y356-L368 HydrophobicContact CD2-CD2 4Å; Y356-L368 HydrophobicContact CE2-CD2 4.05Å; I359-L368 HydrophobicContact CD1-CD1 3.84Å; I359-L368 HydrophobicContact CG2-CD1 4.39Å
369	V	78.8	Confident	70.3	Confident	46 Å²	46	72.1 Å²	72.1	28%	0.279	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.6	177.6	175.6	0	0	0	0	108.9	L281 V291 F293 V294 L295	L281-V369 HydrophobicContact CD1-CG1 4.17Å; V291-V369 HydrophobicContact CB-CG2 4.33Å; V291-V369 HydrophobicContact CG1-CB 4.07Å; V291-V369 HydrophobicContact CG1-CG2 3.66Å; V291-V369 HydrophobicContact CG2-CG2 3.67Å; F293-V369 PolarHBondContact O-N 3.22Å; V294-V369 CarbonylContact C-O 3.45Å; V294-V369 VanDerWaalsContact CA-O 3.26Å; V294-V369 WeakPolarHBondContact CA-O 3.41Å; L295-V369 PolarHBondContact N-O 2.86Å
370	C	78.4	Confident	69.3	Low	48 Å²	48	76.7 Å²	76.7	32%	0.324	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.8	170.4	-61.1	0	0	0	0	109.6	L295	L295-C370 CarbonylContact O-C 3.57Å; L295-C370 VanDerWaalsContact O-CA 3.26Å; L295-C370 WeakPolarHBondContact O-CA 3.33Å
371	L	75.6	Confident	68	Low	3 Å²	3	72.1 Å²	72.1	2%	0.016	34%	0.342	C	S	.	.			trans	-58.6	147	170.2	-65.6	175.8	0	0	0	109.4	L274 E277 L281 V294 L295 Y323 L324 R374	L274-L371 HydrophobicContact CD2-CD1 4.25Å; E277-L371 HydrophobicContact CG-CD2 4.13Å; L281-L371 HydrophobicContact CD1-CD2 3.72Å; V294-L371 HydrophobicContact CG1-CD1 4.29Å; V294-L371 HydrophobicContact CG1-CD2 3.98Å; V294-L371 HydrophobicContact CG1-CG 3.84Å; L295-L371 PolarHBondContact O-N 3.19Å; Y323-L371 HydrophobicContact CE2-CD1 4.35Å; Y323-L371 WeakPolarHBondContact OH-CD1 3.45Å; L324-L371 HydrophobicContact CD2-CD1 4.17Å; L371-R374 PolarHBondContact O-NH1 2.69Å; L371-R374 PolarHBondContact O-NH2 2.92Å
372	R	64.2	Low	66.9	Low	228 Å²	228	73.1 Å²	73.1	86%	0.86	35%	0.35	S	S	*	.	S	Bend	trans	-81.7	-34.9	178.2	-73.3	-174.3	178.9	-177	1.5	112.4
373	E	67.1	Low	66.3	Low	80 Å²	80	73 Å²	73	37%	0.374	35%	0.347	S	S	.	.			trans	-61.5	135.3	177.4	-162.3	167.8	169.8	0	0	109.4	H273 L274 Y323	H273-E373 IonicContact ND1-OE2 3.41Å; L274-E373 HydrophobicContact CD2-CB 3.87Å; L274-E373 HydrophobicContact CD2-CG 4.2Å; L274-E373 WeakPolarHBondContact CD2-OE2 3.16Å; Y323-E373 PolarHBondContact OH-O 2.81Å; Y323-E373 VanDerWaalsContact OH-O 3.08Å
374	R	66.3	Low	65.7	Low	92 Å²	92	72.7 Å²	72.7	35%	0.347	35%	0.346	S	S	.	.			trans	-114.7	119.4	-176.9	-61.2	-69.4	169.6	-116.8	-1	106.6	I297 L371	I297-R374 VanDerWaalsContact O-CD 3.25Å; I297-R374 WeakPolarHBondContact O-CD 3.4Å; I297-R374 PolarHBondContact O-NH1 3.45Å; L371-R374 PolarHBondContact O-NH1 2.69Å; L371-R374 PolarHBondContact O-NH2 2.92Å
375	L	69.7	Low	65.7	Low	9 Å²	9	66.6 Å²	66.6	5%	0.047	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-96.8	140	172.2	-61.6	-172.9	0	0	0	109.4	A267 L270 L274 T298 Y323	A267-L375 HydrophobicContact CB-CB 4.26Å; A267-L375 HydrophobicContact CB-CD1 4.03Å; L270-L375 HydrophobicContact CB-CD1 4.43Å; L270-L375 HydrophobicContact CD1-CD1 4.05Å; L274-L375 HydrophobicContact CD1-CD1 3.75Å; L274-L375 HydrophobicContact CD1-CD2 4.15Å; L274-L375 HydrophobicContact CD1-CG 4.16Å; T298-L375 VanDerWaalsContact CA-O 3.29Å; T298-L375 WeakPolarHBondContact CA-O 3.41Å; T298-L375 VanDerWaalsContact CB-O 3.27Å; T298-L375 WeakPolarHBondContact CB-O 3.29Å; T298-L375 WeakPolarHBondContact CG2-O 3.38Å; Y323-L375 HydrophobicContact CD1-CB 3.9Å; Y323-L375 HydrophobicContact CD1-CD1 4.39Å; Y323-L375 HydrophobicContact CD1-CG 4.16Å; Y323-L375 HydrophobicContact CD2-CD1 3.58Å; Y323-L375 HydrophobicContact CD2-CG 4.16Å; Y323-L375 HydrophobicContact CE1-CB 4.21Å; Y323-L375 HydrophobicContact CE1-CG 4.1Å; Y323-L375 HydrophobicContact CE2-CD1 3.81Å; Y323-L375 HydrophobicContact CE2-CG 4.13Å; Y323-L375 HydrophobicContact CG-CB 4.1Å; Y323-L375 HydrophobicContact CG-CD1 3.92Å; Y323-L375 HydrophobicContact CG-CG 4.2Å
376	E	65.6	Low	65.5	Low	108 Å²	108	61.2 Å²	61.2	51%	0.505	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-72.9	133.5	168.8	-67.1	178.5	176.2	0	0	108.9	M268 N386	M268-E376 PolarHBondContact N-O 2.95Å; E376-N386 PolarHBondContact OE2-ND2 2.78Å
377	E	66	Low	64.9	Low	13 Å²	13	59.2 Å²	59.2	6%	0.061	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-99.2	132.9	171.2	-173.9	172.4	-170.9	0	0	107.9	N264 R266 T298 S379	N264-E377 PolarHBondContact ND2-OE1 2.81Å; R266-E377 HydrophobicContact CB-CG 3.49Å; R266-E377 VanDerWaalsContact CB-CG 3.49Å; R266-E377 VanDerWaalsContact CD-OE1 3.28Å; R266-E377 WeakPolarHBondContact CD-OE1 3.24Å; T298-E377 HydrophobicContact CG2-CB 3.81Å; E377-S379 PolarHBondContact O-N 2.79Å; E377-S379 PolarHBondContact O-OG 3.19Å
378	V	62.9	Low	64.4	Low	12 Å²	12	58.7 Å²	58.7	7%	0.073	29%	0.287	C	S	.	.			trans	-64.6	107.7	172.7	-171.4	0	0	0	0	108.2	F95 L99 R266 M268 D383 V387	F95-V378 HydrophobicContact CE1-CB 4.3Å; F95-V378 HydrophobicContact CE1-CG1 3.76Å; F95-V378 HydrophobicContact CZ-CB 4.13Å; F95-V378 HydrophobicContact CZ-CG1 3.48Å; F95-V378 VanDerWaalsContact CZ-CG1 3.48Å; F95-V378 HydrophobicContact CZ-CG2 4Å; L99-V378 HydrophobicContact CD1-CG2 4.31Å; L99-V378 HydrophobicContact CD2-CG2 4.34Å; R266-V378 PolarHBondContact O-N 3.37Å; M268-V378 HydrophobicContact CE-CB 4.48Å; M268-V378 HydrophobicContact CE-CG2 3.54Å; M268-V378 HydrophobicContact CG-CG2 3.91Å; M268-V378 HydrophobicContact SD-CG2 4.05Å; V378-D383 HydrophobicContact CB-CB 4.42Å; V378-D383 HydrophobicContact CG1-CB 3.92Å; V378-V387 HydrophobicContact CG1-CG2 4.49Å; V378-V387 HydrophobicContact CG2-CG2 3.56Å
379	S	58.3	Low	63.7	Low	43 Å²	43	62.9 Å²	62.9	30%	0.301	31%	0.305	S	S	.	.			trans	-141.7	-8.2	-173.6	65.2	0	0	0	0	113.4	I85 E377 D383	I85-S379 WeakPolarHBondContact CD1-O 3.16Å; E377-S379 PolarHBondContact O-N 2.79Å; E377-S379 PolarHBondContact O-OG 3.19Å; S379-D383 PolarHBondContact N-OD2 2.95Å; S379-D383 PolarHBondContact OG-OD2 3Å
380	E	55.5	Low	62.7	Low	104 Å²	104	62.7 Å²	62.7	49%	0.486	31%	0.306	S	S	.	.	S	Bend	trans	-135.6	159.2	173.6	-69	-173.2	-169.4	0	0	111.5	L382 D383	E380-L382 PolarHBondContact O-N 2.79Å; E380-D383 PolarHBondContact N-OD2 2.95Å; E380-D383 WeakPolarHBondContact O-CB 3.34Å; E380-D383 PolarHBondContact O-N 3.36Å
381	P	50	Low	61.6	Low	37 Å²	37	60.8 Å²	60.8	24%	0.24	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.5	178.5	-11.6	27	0	0	0	111.7	V84 I85 D383 L384	V84-P381 HydrophobicContact CB-CG 4.38Å; V84-P381 HydrophobicContact CG1-CG 4.02Å; I85-P381 HydrophobicContact CB-CG 4.35Å; I85-P381 HydrophobicContact CG1-CB 4.39Å; I85-P381 HydrophobicContact CG1-CG 3.5Å; P381-D383 PolarHBondContact O-N 3.2Å; P381-L384 HydrophobicContact CB-CD1 4.13Å; P381-L384 WeakPolarHBondContact O-CB 3.34Å; P381-L384 WeakPolarHBondContact O-CD1 3.45Å; P381-L384 VanDerWaalsContact O-CG 3.24Å; P381-L384 WeakPolarHBondContact O-CG 3.09Å; P381-L384 PolarHBondContact O-N 3.48Å; P381-L384 VanDerWaalsContact O-N 3.09Å
382	L	54.8	Low	60.9	Low	115 Å²	115	63.2 Å²	63.2	60%	0.602	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.4	172.9	-71.3	164.1	0	0	0	111.4	E380 L384 I385	E380-L382 PolarHBondContact O-N 2.79Å; L382-L384 PolarHBondContact O-N 3.02Å; L382-I385 WeakPolarHBondContact O-CB 2.95Å; L382-I385 PolarHBondContact O-N 2.93Å; L382-I385 VanDerWaalsContact O-N 3.16Å
383	D	58.2	Low	60.8	Low	23 Å²	23	53 Å²	53	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-18.4	177.2	-56.9	-24.5	0	0	0	111.9	M268 V378 S379 E380 P381 I385 N386 V387	M268-D383 HydrophobicContact CE-CB 3.87Å; V378-D383 HydrophobicContact CB-CB 4.42Å; V378-D383 HydrophobicContact CG1-CB 3.92Å; S379-D383 PolarHBondContact N-OD2 2.95Å; S379-D383 PolarHBondContact OG-OD2 3Å; E380-D383 PolarHBondContact N-OD2 2.95Å; E380-D383 WeakPolarHBondContact O-CB 3.34Å; E380-D383 PolarHBondContact O-N 3.36Å; P381-D383 PolarHBondContact O-N 3.2Å; D383-I385 PolarHBondContact O-N 3.25Å; D383-N386 CarbonylContact O-C 3.57Å; D383-N386 WeakPolarHBondContact O-CA 3.09Å; D383-N386 WeakPolarHBondContact O-CB 3.29Å; D383-N386 PolarHBondContact O-N 2.92Å; D383-V387 WeakPolarHBondContact O-CG2 3.43Å; D383-V387 PolarHBondContact O-N 3.08Å
384	L	59.4	Low	60.6	Low	12 Å²	12	52.9 Å²	52.9	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-29.6	175.3	-61.5	166.2	0	0	0	111.7	L89 F95 P381 L382 N386 V387 Q388 C395 L399	L89-L384 HydrophobicContact CD2-CD2 4.41Å; F95-L384 HydrophobicContact CD2-CD2 4.01Å; F95-L384 HydrophobicContact CE2-CD2 3.41Å; F95-L384 VanDerWaalsContact CE2-CD2 3.41Å; F95-L384 HydrophobicContact CZ-CD2 3.76Å; P381-L384 HydrophobicContact CB-CD1 4.13Å; P381-L384 WeakPolarHBondContact O-CB 3.34Å; P381-L384 WeakPolarHBondContact O-CD1 3.45Å; P381-L384 VanDerWaalsContact O-CG 3.24Å; P381-L384 WeakPolarHBondContact O-CG 3.09Å; P381-L384 PolarHBondContact O-N 3.48Å; P381-L384 VanDerWaalsContact O-N 3.09Å; L382-L384 PolarHBondContact O-N 3.02Å; L384-N386 VanDerWaalsContact C-N 3.32Å; L384-V387 CarbonylContact O-C 3.46Å; L384-V387 WeakPolarHBondContact O-CB 3.47Å; L384-V387 PolarHBondContact O-N 3.48Å; L384-Q388 PolarHBondContact O-N 3.03Å; L384-C395 VanDerWaalsContact C-SG 3.53Å; L384-C395 PolarHBondContact O-SG 3.48Å; L384-L399 HydrophobicContact CD1-CD1 3.89Å; L384-L399 HydrophobicContact CD1-CD2 3.79Å; L384-L399 HydrophobicContact CD1-CG 4.37Å; L384-L399 HydrophobicContact CD2-CD2 4.32Å
385	I	62.2	Low	60.3	Low	89 Å²	89	49.7 Å²	49.7	46%	0.456	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-41.7	173.2	-60.3	174.2	0	0	0	109.7	L382 D383 V387 Q388 Q389	L382-I385 WeakPolarHBondContact O-CB 2.95Å; L382-I385 PolarHBondContact O-N 2.93Å; L382-I385 VanDerWaalsContact O-N 3.16Å; D383-I385 PolarHBondContact O-N 3.25Å; I385-V387 VanDerWaalsContact C-N 3.31Å; I385-V387 PolarHBondContact O-N 2.8Å; I385-Q388 WeakPolarHBondContact O-CB 2.85Å; I385-Q388 PolarHBondContact O-N 3.3Å; I385-Q389 WeakPolarHBondContact O-CG 3.31Å; I385-Q389 PolarHBondContact O-N 2.97Å
386	N	59.3	Low	59.9	Low	47 Å²	47	55.2 Å²	55.2	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-33.6	176.9	-62.9	-8.7	0	0	0	110.8	M268 E376 D383 L384 Q389 S390	M268-N386 HydrophobicContact CE-CB 3.61Å; M268-N386 VanDerWaalsContact SD-C 3.51Å; M268-N386 HydrophobicContact SD-CB 3.73Å; E376-N386 PolarHBondContact OE2-ND2 2.78Å; D383-N386 CarbonylContact O-C 3.57Å; D383-N386 WeakPolarHBondContact O-CA 3.09Å; D383-N386 WeakPolarHBondContact O-CB 3.29Å; D383-N386 PolarHBondContact O-N 2.92Å; L384-N386 VanDerWaalsContact C-N 3.32Å; N386-Q389 PolarHBondContact O-N 3.4Å; N386-S390 WeakPolarHBondContact O-CB 3.46Å; N386-S390 PolarHBondContact O-N 3.46Å; N386-S390 PolarHBondContact O-OG 2.86Å
387	V	59.5	Low	59.6	Low	10 Å²	10	50.7 Å²	50.7	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-43	170	-178.8	0	0	0	0	111	F95 M268 V378 D383 L384 I385 Q389 S390 T391	F95-V387 HydrophobicContact CE2-CB 4.15Å; F95-V387 HydrophobicContact CE2-CG1 3.81Å; F95-V387 HydrophobicContact CE2-CG2 3.85Å; F95-V387 HydrophobicContact CZ-CG1 4.49Å; F95-V387 HydrophobicContact CZ-CG2 3.81Å; M268-V387 HydrophobicContact CE-CG2 4.03Å; M268-V387 HydrophobicContact CG-CG2 4.37Å; M268-V387 HydrophobicContact SD-CB 4.27Å; M268-V387 HydrophobicContact SD-CG2 3.46Å; M268-V387 WeakPolarHBondContact SD-CG2 3.45Å; M268-V387 PolarHBondContact SD-N 2.82Å; M268-V387 VanDerWaalsContact SD-N 3.43Å; V378-V387 HydrophobicContact CG1-CG2 4.49Å; V378-V387 HydrophobicContact CG2-CG2 3.56Å; D383-V387 WeakPolarHBondContact O-CG2 3.43Å; D383-V387 PolarHBondContact O-N 3.08Å; L384-V387 CarbonylContact O-C 3.46Å; L384-V387 WeakPolarHBondContact O-CB 3.47Å; L384-V387 PolarHBondContact O-N 3.48Å; I385-V387 VanDerWaalsContact C-N 3.31Å; I385-V387 PolarHBondContact O-N 2.8Å; V387-Q389 VanDerWaalsContact C-N 3.32Å; V387-Q389 PolarHBondContact O-N 2.92Å; V387-S390 VanDerWaalsContact CA-OG 3.31Å; V387-S390 WeakPolarHBondContact CA-OG 3.43Å; V387-S390 PolarHBondContact O-N 3.32Å; V387-S390 PolarHBondContact O-OG 2.7Å; V387-S390 VanDerWaalsContact O-OG 3.06Å; V387-T391 HydrophobicContact CG1-CG2 3.76Å; V387-T391 VanDerWaalsContact O-CB 3.29Å; V387-T391 WeakPolarHBondContact O-CB 3.43Å; V387-T391 WeakPolarHBondContact O-CG2 3.28Å; V387-T391 PolarHBondContact O-N 3.27Å; V387-T391 PolarHBondContact O-OG1 2.96Å
388	Q	63.3	Low	59.3	Low	68 Å²	68	50.6 Å²	50.6	32%	0.318	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-40.6	176.6	167.5	168.3	-27.6	0	0	111.7	L384 I385 G392 L393 C395	L384-Q388 PolarHBondContact O-N 3.03Å; I385-Q388 WeakPolarHBondContact O-CB 2.85Å; I385-Q388 PolarHBondContact O-N 3.3Å; Q388-G392 WeakPolarHBondContact O-CA 3.3Å; Q388-G392 PolarHBondContact O-N 2.88Å; Q388-L393 VanDerWaalsContact CA-O 3.26Å; Q388-L393 WeakPolarHBondContact CA-O 3.25Å; Q388-L393 VanDerWaalsContact CB-O 3.22Å; Q388-L393 WeakPolarHBondContact CB-O 3.45Å; Q388-L393 VanDerWaalsContact CG-O 3.23Å; Q388-L393 WeakPolarHBondContact CG-O 3.46Å; Q388-C395 PolarHBondContact OE1-SG 3.32Å
389	Q	63	Low	59.1	Low	134 Å²	134	51.5 Å²	51.5	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-66.8	-46.8	175.8	-69	176.3	6.5	0	0	111.8	K157 I385 N386 V387	K157-Q389 PolarHBondContact NZ-O 3.43Å; I385-Q389 WeakPolarHBondContact O-CG 3.31Å; I385-Q389 PolarHBondContact O-N 2.97Å; N386-Q389 PolarHBondContact O-N 3.4Å; V387-Q389 VanDerWaalsContact C-N 3.32Å; V387-Q389 PolarHBondContact O-N 2.92Å
390	S	56.8	Low	59.4	Low	42 Å²	42	52 Å²	52	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-70.2	-36.1	-178.4	58.7	0	0	0	0	113.2	K157 N386 V387	K157-S390 VanDerWaalsContact NZ-C 3.29Å; K157-S390 PolarHBondContact NZ-O 3.45Å; N386-S390 WeakPolarHBondContact O-CB 3.46Å; N386-S390 PolarHBondContact O-N 3.46Å; N386-S390 PolarHBondContact O-OG 2.86Å; V387-S390 VanDerWaalsContact CA-OG 3.31Å; V387-S390 WeakPolarHBondContact CA-OG 3.43Å; V387-S390 PolarHBondContact O-N 3.32Å; V387-S390 PolarHBondContact O-OG 2.7Å; V387-S390 VanDerWaalsContact O-OG 3.06Å
391	T	56.9	Low	60.2	Low	8 Å²	8	48.3 Å²	48.3	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-96.3	-23.7	-177.8	66.1	0	0	0	0	113.9	V98 N102 V387 L393	V98-T391 HydrophobicContact CG1-CG2 4.05Å; N102-T391 VanDerWaalsContact ND2-CG2 3.29Å; N102-T391 WeakPolarHBondContact ND2-CG2 3.29Å; V387-T391 HydrophobicContact CG1-CG2 3.76Å; V387-T391 VanDerWaalsContact O-CB 3.29Å; V387-T391 WeakPolarHBondContact O-CB 3.43Å; V387-T391 WeakPolarHBondContact O-CG2 3.28Å; V387-T391 PolarHBondContact O-N 3.27Å; V387-T391 PolarHBondContact O-OG1 2.96Å; T391-L393 WeakPolarHBondContact OG1-CB 3.37Å; T391-L393 PolarHBondContact OG1-N 2.99Å
392	G	60.7	Low	61.7	Low	53 Å²	53	47.2 Å²	47.2	55%	0.546	26%	0.259	S	S	.	.			trans	75.1	6.6	-171	0	0	0	0	0	114	Q388	Q388-G392 WeakPolarHBondContact O-CA 3.3Å; Q388-G392 PolarHBondContact O-N 2.88Å
393	L	60.5	Low	63.3	Low	15 Å²	15	41.8 Å²	41.8	8%	0.079	23%	0.231	C	C	.	.			trans	-91.1	128.1	178.5	-63.4	175.5	0	0	0	109.9	V98 Q388 T391 C395 V398 H610	V98-L393 HydrophobicContact CG1-CD1 3.89Å; V98-L393 HydrophobicContact CG2-CD1 4.05Å; Q388-L393 VanDerWaalsContact CA-O 3.26Å; Q388-L393 WeakPolarHBondContact CA-O 3.25Å; Q388-L393 VanDerWaalsContact CB-O 3.22Å; Q388-L393 WeakPolarHBondContact CB-O 3.45Å; Q388-L393 VanDerWaalsContact CG-O 3.23Å; Q388-L393 WeakPolarHBondContact CG-O 3.46Å; T391-L393 WeakPolarHBondContact OG1-CB 3.37Å; T391-L393 PolarHBondContact OG1-N 2.99Å; L393-C395 PolarHBondContact O-N 3.39Å; L393-V398 HydrophobicContact CB-CG2 4.44Å; L393-V398 HydrophobicContact CD1-CG2 4.45Å; L393-H610 HydrophobicContact CD2-CB 3.82Å
394	L	63.1	Low	64.8	Low	77 Å²	77	40.7 Å²	40.7	40%	0.403	23%	0.225	S	C	.	.			trans	-59.7	131.4	170.8	-65.5	173.6	0	0	0	109.3	E396 N397	L394-E396 PolarHBondContact O-N 3.05Å; L394-E396 VanDerWaalsContact O-N 3.16Å; L394-N397 WeakPolarHBondContact O-CB 3.3Å; L394-N397 PolarHBondContact O-N 2.8Å
395	C	59.9	Low	66.3	Low	24 Å²	24	40.1 Å²	40.1	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-53	-39.5	179	-61.2	0	0	0	0	111.4	L384 Q388 L393 N397 V398 L399	L384-C395 VanDerWaalsContact C-SG 3.53Å; L384-C395 PolarHBondContact O-SG 3.48Å; Q388-C395 PolarHBondContact OE1-SG 3.32Å; L393-C395 PolarHBondContact O-N 3.39Å; C395-N397 PolarHBondContact O-N 3.47Å; C395-V398 PolarHBondContact O-N 2.91Å; C395-L399 HydrophobicContact CB-CD1 3.88Å; C395-L399 HydrophobicContact CB-CG 4.36Å; C395-L399 WeakPolarHBondContact O-CB 3.5Å; C395-L399 WeakPolarHBondContact O-CG 3.25Å; C395-L399 PolarHBondContact O-N 2.78Å
396	E	61.2	Low	67.7	Low	126 Å²	126	35.9 Å²	35.9	59%	0.589	20%	0.2	S	C	*	.	H	α-helix	trans	-54.1	-37.9	178.7	-64.3	174.3	-177.3	0	0	113.1	L394 V398 N400	L394-E396 PolarHBondContact O-N 3.05Å; L394-E396 VanDerWaalsContact O-N 3.16Å; E396-V398 PolarHBondContact O-N 3.36Å; E396-N400 VanDerWaalsContact O-CB 3.26Å; E396-N400 WeakPolarHBondContact O-CB 3.47Å; E396-N400 PolarHBondContact O-N 2.77Å; E396-N400 VanDerWaalsContact O-N 3.08Å; E396-N400 PolarHBondContact O-ND2 3.13Å
397	N	60.5	Low	69	Low	13 Å²	13	33.6 Å²	33.6	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-19.6	179.1	-76.6	12.2	0	0	0	113.2	L394 C395 S527 K613	L394-N397 WeakPolarHBondContact O-CB 3.3Å; L394-N397 PolarHBondContact O-N 2.8Å; C395-N397 PolarHBondContact O-N 3.47Å; N397-S527 VanDerWaalsContact O-CB 3.29Å; N397-S527 WeakPolarHBondContact O-CB 3.37Å; N397-K613 PolarHBondContact ND2-NZ 3.44Å
398	V	59.4	Low	70.3	Confident	11 Å²	11	33.2 Å²	33.2	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-103.2	-34.2	-178.6	178.3	0	0	0	0	111.4	L94 F95 L393 C395 E396	L94-V398 HydrophobicContact CD2-CB 3.94Å; L94-V398 HydrophobicContact CD2-CG1 3.6Å; L94-V398 HydrophobicContact CD2-CG2 3.86Å; F95-V398 HydrophobicContact CB-CG1 3.72Å; F95-V398 HydrophobicContact CD2-CG1 3.79Å; F95-V398 HydrophobicContact CG-CG1 4.26Å; L393-V398 HydrophobicContact CB-CG2 4.44Å; L393-V398 HydrophobicContact CD1-CG2 4.45Å; C395-V398 PolarHBondContact O-N 2.91Å; E396-V398 PolarHBondContact O-N 3.36Å
399	L	58.4	Low	71.1	Confident	31 Å²	31	30.1 Å²	30.1	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-85.3	-32	-175.2	-63.4	179.8	0	0	0	113.9	L89 K90 L384 C395 D401	L89-L399 HydrophobicContact CD2-CD2 3.14Å; L89-L399 HydrophobicContact CG-CD2 4.16Å; K90-L399 WeakPolarHBondContact CB-O 3.4Å; L384-L399 HydrophobicContact CD1-CD1 3.89Å; L384-L399 HydrophobicContact CD1-CD2 3.79Å; L384-L399 HydrophobicContact CD1-CG 4.37Å; L384-L399 HydrophobicContact CD2-CD2 4.32Å; C395-L399 HydrophobicContact CB-CD1 3.88Å; C395-L399 HydrophobicContact CB-CG 4.36Å; C395-L399 WeakPolarHBondContact O-CB 3.5Å; C395-L399 WeakPolarHBondContact O-CG 3.25Å; C395-L399 PolarHBondContact O-N 2.78Å; L399-D401 PolarHBondContact O-N 3.33Å
400	N	65.6	Low	71.5	Confident	54 Å²	54	24.1 Å²	24.1	29%	0.289	15%	0.146	S	C	.	.			trans	-81.1	117.2	-173.6	-69.5	-22	0	0	0	110.9	E396 S402 S527	E396-N400 VanDerWaalsContact O-CB 3.26Å; E396-N400 WeakPolarHBondContact O-CB 3.47Å; E396-N400 PolarHBondContact O-N 2.77Å; E396-N400 VanDerWaalsContact O-N 3.08Å; E396-N400 PolarHBondContact O-ND2 3.13Å; N400-S402 WeakPolarHBondContact CB-OG 3.4Å; N400-S402 PolarHBondContact O-N 2.62Å; N400-S527 WeakPolarHBondContact O-CB 3.12Å; N400-S527 PolarHBondContact O-OG 2.99Å
401	D	72.3	Confident	71.6	Confident	25 Å²	25	30.3 Å²	30.3	13%	0.134	16%	0.164	C	C	.	.			trans	-81.2	70.2	165.1	-164.3	19.1	0	0	0	109.4	K90 L399 R449 Q450	K90-D401 HydrophobicContact CB-CB 3.77Å; L399-D401 PolarHBondContact O-N 3.33Å; D401-R449 WeakPolarHBondContact OD1-CD 3.49Å; D401-R449 IonicContact OD1-NE 3.42Å; D401-R449 PolarHBondContact OD1-NE 3.38Å; D401-R449 WeakPolarHBondContact OD2-CG 3.18Å; D401-R449 IonicContact OD2-CZ 2.96Å; D401-R449 IonicContact OD2-NE 3.19Å; D401-R449 PolarHBondContact OD2-NE 3.03Å; D401-R449 VanDerWaalsContact OD2-NE 3.12Å; D401-R449 IonicContact OD2-NH2 2.78Å; D401-Q450 PolarHBondContact O-N 3.37Å
402	S	81.3	Confident	71.6	Confident	14 Å²	14	31.3 Å²	31.3	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.9	-177.6	56.9	0	0	0	0	111.6	N400 Q450 G526 S527 M528	N400-S402 WeakPolarHBondContact CB-OG 3.4Å; N400-S402 PolarHBondContact O-N 2.62Å; S402-Q450 CarbonylContact C-O 3.4Å; S402-Q450 VanDerWaalsContact CA-O 3.26Å; S402-Q450 WeakPolarHBondContact CA-O 3.26Å; S402-G526 WeakPolarHBondContact OG-CA 3.32Å; S402-S527 PolarHBondContact O-N 3.08Å; S402-S527 PolarHBondContact O-OG 3.46Å; S402-S527 PolarHBondContact OG-N 3.31Å; S402-M528 PolarHBondContact O-N 2.92Å; S402-M528 VanDerWaalsContact O-N 3.14Å
403	V	87.5	Confident	71.7	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.4	-179.7	-172.8	0	0	0	0	109.2	Q450 I451 E452 M528 V530 W542	V403-Q450 PolarHBondContact N-O 3.06Å; V403-I451 WeakPolarHBondContact O-CA 2.96Å; V403-E452 PolarHBondContact O-N 3.08Å; V403-M528 CarbonylContact C-O 3.49Å; V403-M528 WeakPolarHBondContact CA-O 3.35Å; V403-M528 HydrophobicContact CG1-CB 4.37Å; V403-M528 HydrophobicContact CG2-CB 4.27Å; V403-V530 HydrophobicContact CG1-CG2 3.59Å; V403-W542 HydrophobicContact CG1-CH2 3.94Å; V403-W542 HydrophobicContact CG1-CZ3 3.78Å
404	T	90.3	Very high	71.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.2	171.4	-57.5	0	0	0	0	109.6	I406 E452 I454 A524 G526 M528 L529 V530	T404-I406 HydrophobicContact CG2-CG1 4.05Å; T404-E452 CarbonylContact C-O 3.58Å; T404-E452 VanDerWaalsContact CA-O 3.23Å; T404-E452 WeakPolarHBondContact CA-O 3.44Å; T404-E452 HydrophobicContact CG2-CB 4.41Å; T404-E452 HydrophobicContact CG2-CG 4.37Å; T404-E452 WeakPolarHBondContact CG2-OE2 3.41Å; T404-E452 PolarHBondContact OG1-OE2 3.42Å; T404-I454 HydrophobicContact CG2-CB 4.46Å; T404-I454 HydrophobicContact CG2-CD1 3.41Å; T404-I454 VanDerWaalsContact CG2-CD1 3.41Å; T404-I454 HydrophobicContact CG2-CG1 3.74Å; T404-A524 HydrophobicContact CG2-CB 3.88Å; T404-G526 WeakPolarHBondContact OG1-CA 3.45Å; T404-G526 PolarHBondContact OG1-N 3.14Å; T404-M528 PolarHBondContact N-O 2.98Å; T404-L529 CarbonylContact O-C 3.56Å; T404-L529 WeakPolarHBondContact O-CA 3.33Å; T404-V530 PolarHBondContact O-N 3.19Å
405	V	90.7	Very high	71.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.4	173.4	-179.5	0	0	0	0	108.4	I407 V441 I451 E452 V453 I454 V530 L532 W542	V405-I407 HydrophobicContact CG1-CD1 4.47Å; V405-I407 HydrophobicContact CG1-CG1 4.17Å; V405-V441 HydrophobicContact CG2-CG1 4.37Å; V405-I451 HydrophobicContact CG2-CG2 4.17Å; V405-E452 PolarHBondContact N-O 3.01Å; V405-V453 HydrophobicContact CB-CG1 4.44Å; V405-V453 HydrophobicContact CB-CG2 4.2Å; V405-V453 HydrophobicContact CG1-CG1 4.48Å; V405-V453 CarbonylContact O-C 3.46Å; V405-V453 WeakPolarHBondContact O-CA 3.11Å; V405-I454 PolarHBondContact O-N 3.31Å; V405-V530 CarbonylContact C-O 3.56Å; V405-V530 WeakPolarHBondContact CA-O 3.06Å; V405-V530 HydrophobicContact CG2-CB 4.32Å; V405-L532 HydrophobicContact CG1-CD1 3.32Å; V405-L532 HydrophobicContact CG1-CG 3.89Å; V405-W542 HydrophobicContact CG2-CH2 3.4Å; V405-W542 HydrophobicContact CG2-CZ2 4.04Å; V405-W542 HydrophobicContact CG2-CZ3 4.11Å
406	I	90.8	Very high	71.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.8	-178	-56.6	179	0	0	0	109	T404 I454 I456 I516 A519 I520 A524 V530 L532	T404-I406 HydrophobicContact CG2-CG1 4.05Å; I406-I454 WeakPolarHBondContact CA-O 3.35Å; I406-I456 HydrophobicContact CG2-CG2 4.41Å; I406-I516 HydrophobicContact CG2-CG2 4.44Å; I406-A519 HydrophobicContact CG2-CB 3.91Å; I406-I520 HydrophobicContact CD1-CB 4.39Å; I406-I520 HydrophobicContact CD1-CD1 4.03Å; I406-I520 HydrophobicContact CD1-CG1 3.2Å; I406-A524 HydrophobicContact CD1-CB 4.34Å; I406-V530 PolarHBondContact N-O 3.39Å; I406-L532 PolarHBondContact O-N 3.01Å; I406-L532 VanDerWaalsContact O-N 3.12Å
407	I	87.8	Confident	70.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.3	-179.8	-52.4	176.4	0	0	0	108.9	V405 M409 L434 T437 I438 V453 I454 I455 I456 L532 P534	V405-I407 HydrophobicContact CG1-CD1 4.47Å; V405-I407 HydrophobicContact CG1-CG1 4.17Å; I407-M409 HydrophobicContact CG2-SD 4.44Å; I407-L434 HydrophobicContact CB-CD1 4.49Å; I407-L434 HydrophobicContact CD1-CD1 4.21Å; I407-L434 HydrophobicContact CG2-CD1 3.68Å; I407-T437 HydrophobicContact CD1-CG2 4.08Å; I407-I438 HydrophobicContact CD1-CG1 4.32Å; I407-V453 HydrophobicContact CD1-CG1 3.94Å; I407-I454 PolarHBondContact N-O 2.78Å; I407-I455 WeakPolarHBondContact O-CA 3.39Å; I407-I456 PolarHBondContact O-N 2.83Å; I407-L532 HydrophobicContact CG1-CB 4.43Å; I407-P534 HydrophobicContact CG2-CB 4.39Å
408	P	86	Confident	70.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.2	176.4	30.1	-32.6	0	0	0	112.4	I456 R512 L515 I516 L532	P408-I456 HydrophobicContact CB-CG2 4.22Å; P408-R512 HydrophobicContact CB-CG 3.82Å; P408-R512 HydrophobicContact CG-CG 3.78Å; P408-R512 PolarHBondContact O-NH2 3.42Å; P408-L515 HydrophobicContact CB-CD2 3.81Å; P408-I516 HydrophobicContact CB-CG1 4.05Å; P408-I516 HydrophobicContact CG-CD1 4.06Å; P408-I516 HydrophobicContact CG-CG1 3.83Å; P408-L532 VanDerWaalsContact CD-O 3.3Å; P408-L532 WeakPolarHBondContact CD-O 3.37Å
409	M	80.1	Confident	70	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	163.6	179.3	-65.7	-63.5	-66	0	0	111.5	I407 V428 L434 I455 I456 D457 S458 L515 P534	I407-M409 HydrophobicContact CG2-SD 4.44Å; M409-V428 HydrophobicContact CB-CG2 3.8Å; M409-V428 HydrophobicContact CE-CG2 4.46Å; M409-V428 HydrophobicContact CG-CG2 4.14Å; M409-L434 HydrophobicContact CE-CB 4.3Å; M409-L434 HydrophobicContact CE-CD2 4.05Å; M409-L434 HydrophobicContact CG-CD1 4.47Å; M409-L434 HydrophobicContact CG-CD2 4.23Å; M409-L434 HydrophobicContact SD-CB 4.45Å; M409-L434 HydrophobicContact SD-CD1 4.12Å; M409-L434 HydrophobicContact SD-CD2 4.2Å; M409-L434 HydrophobicContact SD-CG 4.5Å; M409-I455 HydrophobicContact CG-CG2 3.8Å; M409-I456 PolarHBondContact N-O 2.71Å; M409-D457 WeakPolarHBondContact O-CA 3.48Å; M409-S458 PolarHBondContact O-N 2.79Å; M409-L515 WeakPolarHBondContact O-CD2 3.38Å; M409-P534 HydrophobicContact SD-CB 3.81Å; M409-P534 HydrophobicContact SD-CG 3.7Å
410	G	71.1	Confident	69.5	Low	9 Å²	9	40.3 Å²	40.3	9%	0.093	23%	0.233	C	C	.	.	S	Bend	trans	105.9	177.4	169.4	0	0	0	0	0	114.3	G412 L425 D457 S458	G410-G412 PolarHBondContact O-N 3.02Å; G410-L425 PolarHBondContact N-O 3.17Å; G410-D457 WeakPolarHBondContact CA-OD1 3.09Å; G410-S458 VanDerWaalsContact CA-OG 3.32Å; G410-S458 WeakPolarHBondContact CA-OG 3.3Å
411	Y	59.9	Low	68.7	Low	171 Å²	171	43.4 Å²	43.4	67%	0.671	25%	0.246	S	C	*	.			trans	-60.9	107.3	176.2	-63.4	-85.9	0	0	0	109.1	V426 S458	Y411-V426 HydrophobicContact CD1-CG1 3.66Å; Y411-V426 HydrophobicContact CD2-CG1 3.93Å; Y411-V426 HydrophobicContact CE1-CB 4.38Å; Y411-V426 HydrophobicContact CE1-CG1 3.11Å; Y411-V426 HydrophobicContact CE1-CG2 4.39Å; Y411-V426 HydrophobicContact CE2-CG1 3.4Å; Y411-V426 VanDerWaalsContact CE2-CG1 3.4Å; Y411-V426 HydrophobicContact CG-CG1 4.05Å; Y411-V426 WeakPolarHBondContact OH-CG1 3.46Å; Y411-S458 PolarHBondContact N-OG 2.77Å; Y411-S458 PolarHBondContact O-OG 3.06Å
412	G	57.5	Low	68	Low	29 Å²	29	43.6 Å²	43.6	30%	0.299	25%	0.247	S	C	.	.			trans	-69	163.9	174.7	0	0	0	0	0	111.5	G410	G410-G412 PolarHBondContact O-N 3.02Å
413	H	61.3	Low	66.6	Low	50 Å²	50	48.6 Å²	48.6	23%	0.231	27%	0.272	C	S	.	.			trans	-48.9	151.6	167.4	-171.2	-98.6	0	0	0	110	D415 D416 T509 P510	H413-D415 IonicContact CE1-OD2 2.95Å; H413-D415 PolarHBondContact CE1-OD2 3.02Å; H413-D415 WeakPolarHBondContact ND1-CB 3.48Å; H413-D415 VanDerWaalsContact ND1-CG 3.34Å; H413-D415 PolarHBondContact ND1-N 3.3Å; H413-D415 VanDerWaalsContact ND1-N 3.19Å; H413-D415 IonicContact ND1-OD2 2.85Å; H413-D415 PolarHBondContact ND1-OD2 2.83Å; H413-D415 VanDerWaalsContact ND1-OD2 3.08Å; H413-D415 PolarHBondContact O-N 3.03Å; H413-D416 WeakPolarHBondContact O-CA 3.24Å; H413-D416 WeakPolarHBondContact O-CB 3.38Å; H413-D416 PolarHBondContact O-N 3.23Å; H413-T509 PolarHBondContact CD2-O 2.79Å; H413-P510 PolarHBondContact N-O 3.33Å
414	P	56	Low	65.1	Low	84 Å²	84	52.2 Å²	52.2	55%	0.545	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.2	-14.6	173.8	19.4	-33.3	0	0	0	114.5	D416 C417	P414-D416 VanDerWaalsContact C-N 3.33Å; P414-C417 PolarHBondContact O-SG 3.4Å
415	D	56.4	Low	63.7	Low	75 Å²	75	52.9 Å²	52.9	40%	0.401	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-81.3	-14.5	170.5	-64.6	-32.8	0	0	0	113.6	H413 C417 C622 K687	H413-D415 IonicContact CE1-OD2 2.95Å; H413-D415 PolarHBondContact CE1-OD2 3.02Å; H413-D415 WeakPolarHBondContact ND1-CB 3.48Å; H413-D415 VanDerWaalsContact ND1-CG 3.34Å; H413-D415 PolarHBondContact ND1-N 3.3Å; H413-D415 VanDerWaalsContact ND1-N 3.19Å; H413-D415 IonicContact ND1-OD2 2.85Å; H413-D415 PolarHBondContact ND1-OD2 2.83Å; H413-D415 VanDerWaalsContact ND1-OD2 3.08Å; H413-D415 PolarHBondContact O-N 3.03Å; D415-C417 VanDerWaalsContact C-N 3.34Å; D415-C622 HydrophobicContact CB-CB 4.3Å; D415-K687 IonicContact OD1-NZ 3.78Å; D415-K687 PolarHBondContact OD1-NZ 2.89Å
416	D	60	Low	62.1	Low	12 Å²	12	53.7 Å²	53.7	6%	0.064	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-95.2	12.5	172.2	-64.4	-34.5	0	0	0	112	H413 P414 V418 R512 C622 R623	H413-D416 WeakPolarHBondContact O-CA 3.24Å; H413-D416 WeakPolarHBondContact O-CB 3.38Å; H413-D416 PolarHBondContact O-N 3.23Å; P414-D416 VanDerWaalsContact C-N 3.33Å; D416-V418 PolarHBondContact O-N 2.61Å; D416-R512 PolarHBondContact OD2-N 3.32Å; D416-C622 WeakPolarHBondContact OD1-CA 3.42Å; D416-C622 WeakPolarHBondContact OD1-CB 3.39Å; D416-R623 WeakPolarHBondContact OD1-CB 3.09Å; D416-R623 PolarHBondContact OD1-N 3.08Å
417	C	52	Low	60.9	Low	100 Å²	100	56.8 Å²	56.8	68%	0.676	31%	0.313	S	S	*	.			trans	-30.7	101.6	-173.3	-95	0	0	0	0	113	P414 D415 D419	P414-C417 PolarHBondContact O-SG 3.4Å; D415-C417 VanDerWaalsContact C-N 3.34Å; C417-D419 PolarHBondContact O-N 3.48Å
418	V	52.2	Low	59.8	Low	48 Å²	48	57.1 Å²	57.1	29%	0.291	32%	0.315	S	S	.	.			trans	-62.1	115.2	171.7	170.4	0	0	0	0	106.3	D416 D422 V426	D416-V418 PolarHBondContact O-N 2.61Å; V418-D422 HydrophobicContact CB-CB 4.16Å; V418-D422 HydrophobicContact CG1-CB 3.25Å; V418-D422 VanDerWaalsContact CG1-O 3.29Å; V418-D422 WeakPolarHBondContact CG1-O 3.44Å; V418-V426 HydrophobicContact CG1-CG2 3.81Å
419	D	53.5	Low	58.8	Low	67 Å²	67	62.1 Å²	62.1	36%	0.358	34%	0.337	S	S	.	.			trans	-53.8	152.4	171.3	-85.9	-25.5	0	0	0	109.1	C417 E421 D422 R660	C417-D419 PolarHBondContact O-N 3.48Å; D419-E421 PolarHBondContact O-N 2.91Å; D419-D422 WeakPolarHBondContact O-CB 3.26Å; D419-D422 PolarHBondContact O-N 3.36Å; D419-R660 VanDerWaalsContact CG-NH1 3.35Å; D419-R660 IonicContact OD2-CZ 3.25Å; D419-R660 IonicContact OD2-NH1 2.86Å; D419-R660 PolarHBondContact OD2-NH1 3.07Å
420	S	48.2	Very low	58	Low	103 Å²	103	69.3 Å²	69.3	72%	0.72	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-6.7	-176.1	57.5	0	0	0	0	115.4	I423	S420-I423 WeakPolarHBondContact O-CD1 3.44Å; S420-I423 WeakPolarHBondContact O-CG1 3.43Å
421	E	48.9	Very low	57.9	Low	120 Å²	120	69 Å²	69	56%	0.561	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-6.3	171.8	-34.9	178.8	149.9	0	0	113.1	D419 I423 R660	D419-E421 PolarHBondContact O-N 2.91Å; E421-I423 PolarHBondContact O-N 3.23Å; E421-R660 IonicContact OE2-CZ 2.79Å; E421-R660 IonicContact OE2-NE 3.83Å; E421-R660 PolarHBondContact OE2-NE 3.22Å; E421-R660 IonicContact OE2-NH2 3.19Å; E421-R660 PolarHBondContact OE2-NH2 2.96Å
422	D	56.5	Low	58.6	Low	29 Å²	29	68.4 Å²	68.4	16%	0.155	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-73.9	19.4	166.2	-78.1	10.5	0	0	0	110.6	V418 D419 E424 L425 R623	V418-D422 HydrophobicContact CB-CB 4.16Å; V418-D422 HydrophobicContact CG1-CB 3.25Å; V418-D422 VanDerWaalsContact CG1-O 3.29Å; V418-D422 WeakPolarHBondContact CG1-O 3.44Å; D419-D422 WeakPolarHBondContact O-CB 3.26Å; D419-D422 PolarHBondContact O-N 3.36Å; D422-E424 PolarHBondContact O-N 3.48Å; D422-E424 VanDerWaalsContact O-N 3.09Å; D422-L425 HydrophobicContact CB-CD1 3.75Å; D422-L425 HydrophobicContact CB-CG 3.99Å; D422-L425 WeakPolarHBondContact O-CA 3.2Å; D422-L425 VanDerWaalsContact O-CB 3.23Å; D422-L425 WeakPolarHBondContact O-CB 3.34Å; D422-L425 PolarHBondContact O-N 3.05Å; D422-L425 WeakPolarHBondContact OD2-CD1 3.48Å; D422-R623 IonicContact OD2-NH1 2.91Å; D422-R623 PolarHBondContact OD2-NH1 2.82Å
423	I	53	Low	59.4	Low	119 Å²	119	67.8 Å²	67.8	61%	0.61	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-53.8	-28.9	172.5	-61.7	166.7	0	0	0	110.3	S420 E421 L425 V426	S420-I423 WeakPolarHBondContact O-CD1 3.44Å; S420-I423 WeakPolarHBondContact O-CG1 3.43Å; E421-I423 PolarHBondContact O-N 3.23Å; I423-L425 PolarHBondContact O-N 3.37Å; I423-V426 VanDerWaalsContact O-CB 3.3Å; I423-V426 WeakPolarHBondContact O-CB 3.42Å; I423-V426 PolarHBondContact O-N 3.44Å
424	E	56	Low	60.3	Low	77 Å²	77	65.6 Å²	65.6	36%	0.36	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-65	-16	174	-61.5	-162.1	178.2	0	0	113.9	D422 S431 S433	D422-E424 PolarHBondContact O-N 3.48Å; D422-E424 VanDerWaalsContact O-N 3.09Å; E424-S431 WeakPolarHBondContact O-CB 3.3Å; E424-S431 PolarHBondContact O-OG 3.32Å; E424-S433 PolarHBondContact OE2-OG 2.86Å
425	L	59.2	Low	61.3	Low	13 Å²	13	62.4 Å²	62.4	7%	0.068	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-86.7	-13.2	174.6	-54.9	-173.6	0	0	0	113	G410 D422 I423 P534	G410-L425 PolarHBondContact N-O 3.17Å; D422-L425 HydrophobicContact CB-CD1 3.75Å; D422-L425 HydrophobicContact CB-CG 3.99Å; D422-L425 WeakPolarHBondContact O-CA 3.2Å; D422-L425 VanDerWaalsContact O-CB 3.23Å; D422-L425 WeakPolarHBondContact O-CB 3.34Å; D422-L425 PolarHBondContact O-N 3.05Å; D422-L425 WeakPolarHBondContact OD2-CD1 3.48Å; I423-L425 PolarHBondContact O-N 3.37Å; L425-P534 HydrophobicContact CD2-CB 4.15Å; L425-P534 HydrophobicContact CD2-CG 3.21Å
426	V	58.6	Low	62.3	Low	18 Å²	18	63.1 Å²	63.1	11%	0.109	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-39.6	-165.3	175.5	0	0	0	0	112.4	Y411 V418 I423	Y411-V426 HydrophobicContact CD1-CG1 3.66Å; Y411-V426 HydrophobicContact CD2-CG1 3.93Å; Y411-V426 HydrophobicContact CE1-CB 4.38Å; Y411-V426 HydrophobicContact CE1-CG1 3.11Å; Y411-V426 HydrophobicContact CE1-CG2 4.39Å; Y411-V426 HydrophobicContact CE2-CG1 3.4Å; Y411-V426 VanDerWaalsContact CE2-CG1 3.4Å; Y411-V426 HydrophobicContact CG-CG1 4.05Å; Y411-V426 WeakPolarHBondContact OH-CG1 3.46Å; V418-V426 HydrophobicContact CG1-CG2 3.81Å; I423-V426 VanDerWaalsContact O-CB 3.3Å; I423-V426 WeakPolarHBondContact O-CB 3.42Å; I423-V426 PolarHBondContact O-N 3.44Å
427	D	64	Low	63.3	Low	64 Å²	64	62.5 Å²	62.5	34%	0.342	32%	0.322	S	S	.	.			trans	-120.3	117	-179.3	-165.8	-22.3	0	0	0	110.9	K429 F430 S431	D427-K429 PolarHBondContact O-N 3.43Å; D427-K429 WeakPolarHBondContact OD1-CB 3.42Å; D427-K429 PolarHBondContact OD1-N 3.48Å; D427-F430 HydrophobicContact CB-CD2 4.13Å; D427-F430 PolarHBondContact O-N 2.91Å; D427-F430 VanDerWaalsContact OD2-CD2 3.23Å; D427-F430 WeakPolarHBondContact OD2-CD2 3.26Å; D427-F430 WeakPolarHBondContact OD2-CE2 3.4Å; D427-S431 WeakPolarHBondContact O-CB 3.46Å; D427-S431 PolarHBondContact O-N 3.27Å
428	V	65.2	Low	64.8	Low	7 Å²	7	57.9 Å²	57.9	4%	0.042	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.6	176.8	-179.9	0	0	0	0	111.4	M409 F430 L434 D457 V479 L497	M409-V428 HydrophobicContact CB-CG2 3.8Å; M409-V428 HydrophobicContact CE-CG2 4.46Å; M409-V428 HydrophobicContact CG-CG2 4.14Å; V428-F430 PolarHBondContact O-N 2.96Å; V428-L434 HydrophobicContact CG1-CD2 3.79Å; V428-D457 HydrophobicContact CG2-CB 4.11Å; V428-V479 HydrophobicContact CG1-CG1 4.49Å; V428-L497 HydrophobicContact CG1-CD1 4.33Å; V428-L497 HydrophobicContact CG1-CD2 4.39Å
429	K	65	Low	66.2	Low	106 Å²	106	59.4 Å²	59.4	46%	0.461	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-25	-173.7	-68.2	-174.9	175.7	-174.5	0	114.2	D427	D427-K429 PolarHBondContact O-N 3.43Å; D427-K429 WeakPolarHBondContact OD1-CB 3.42Å; D427-K429 PolarHBondContact OD1-N 3.48Å
430	F	63.5	Low	67.6	Low	155 Å²	155	57.4 Å²	57.4	68%	0.68	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	1.2	-175.7	-59.9	-69.7	0	0	0	113.2	D427 V428 K432	D427-F430 HydrophobicContact CB-CD2 4.13Å; D427-F430 PolarHBondContact O-N 2.91Å; D427-F430 VanDerWaalsContact OD2-CD2 3.23Å; D427-F430 WeakPolarHBondContact OD2-CD2 3.26Å; D427-F430 WeakPolarHBondContact OD2-CE2 3.4Å; V428-F430 PolarHBondContact O-N 2.96Å; F430-K432 PolarHBondContact O-N 2.86Å; F430-K432 VanDerWaalsContact O-N 3.11Å
431	S	70.2	Confident	69.3	Low	1 Å²	1	52.5 Å²	52.5	1%	0.007	25%	0.249	C	C	.	.			trans	-75.8	99.9	-177.2	-171.4	0	0	0	0	111.8	E424 D427 S433 L434 A435	E424-S431 WeakPolarHBondContact O-CB 3.3Å; E424-S431 PolarHBondContact O-OG 3.32Å; D427-S431 WeakPolarHBondContact O-CB 3.46Å; D427-S431 PolarHBondContact O-N 3.27Å; S431-S433 VanDerWaalsContact C-N 3.29Å; S431-L434 PolarHBondContact O-N 3.42Å; S431-L434 VanDerWaalsContact OG-CB 3.32Å; S431-L434 WeakPolarHBondContact OG-CB 3.39Å; S431-L434 PolarHBondContact OG-N 3.14Å; S431-L434 VanDerWaalsContact OG-N 3.1Å; S431-A435 PolarHBondContact O-N 3.34Å
432	K	73.6	Confident	70.9	Confident	159 Å²	159	46.9 Å²	46.9	69%	0.691	22%	0.223	S	C	*	.	H	α-helix	trans	-62.6	-40.1	169.9	-68.8	-177.9	179	-179.9	0	111.3	F430 L434 A435 Y436	F430-K432 PolarHBondContact O-N 2.86Å; F430-K432 VanDerWaalsContact O-N 3.11Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 2.74Å; K432-A435 PolarHBondContact O-N 3.2Å; K432-Y436 WeakPolarHBondContact O-CB 3.25Å; K432-Y436 PolarHBondContact O-N 3.05Å
433	S	74.7	Confident	72.2	Confident	16 Å²	16	50.4 Å²	50.4	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-42.4	175.9	-69.6	0	0	0	0	112.7	E424 S431 T437 G535	E424-S433 PolarHBondContact OE2-OG 2.86Å; S431-S433 VanDerWaalsContact C-N 3.29Å; S433-T437 PolarHBondContact O-N 3.23Å; S433-T437 VanDerWaalsContact O-N 3.07Å; S433-T437 PolarHBondContact O-OG1 2.96Å; S433-G535 PolarHBondContact O-N 3.28Å
434	L	79.5	Confident	73.7	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-48.8	175.9	178.8	64.8	0	0	0	111.8	I407 M409 V428 S431 K432 Y436 T437 I438 I455 P534	I407-L434 HydrophobicContact CB-CD1 4.49Å; I407-L434 HydrophobicContact CD1-CD1 4.21Å; I407-L434 HydrophobicContact CG2-CD1 3.68Å; M409-L434 HydrophobicContact CE-CB 4.3Å; M409-L434 HydrophobicContact CE-CD2 4.05Å; M409-L434 HydrophobicContact CG-CD1 4.47Å; M409-L434 HydrophobicContact CG-CD2 4.23Å; M409-L434 HydrophobicContact SD-CB 4.45Å; M409-L434 HydrophobicContact SD-CD1 4.12Å; M409-L434 HydrophobicContact SD-CD2 4.2Å; M409-L434 HydrophobicContact SD-CG 4.5Å; V428-L434 HydrophobicContact CG1-CD2 3.79Å; S431-L434 PolarHBondContact O-N 3.42Å; S431-L434 VanDerWaalsContact OG-CB 3.32Å; S431-L434 WeakPolarHBondContact OG-CB 3.39Å; S431-L434 PolarHBondContact OG-N 3.14Å; S431-L434 VanDerWaalsContact OG-N 3.1Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 2.74Å; L434-Y436 VanDerWaalsContact C-N 3.27Å; L434-Y436 PolarHBondContact O-N 2.89Å; L434-T437 PolarHBondContact O-N 3.21Å; L434-I438 HydrophobicContact CD1-CD1 3.92Å; L434-I438 HydrophobicContact CD1-CG1 4.19Å; L434-I438 HydrophobicContact CD2-CD1 4.46Å; L434-I438 HydrophobicContact CG-CD1 3.8Å; L434-I438 HydrophobicContact CG-CG1 4.43Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å; L434-I438 PolarHBondContact O-N 3.39Å; L434-I455 HydrophobicContact CD2-CD1 4.45Å; L434-I455 HydrophobicContact CD2-CG2 4.37Å; L434-P534 HydrophobicContact CB-CB 4.41Å; L434-P534 HydrophobicContact CD1-CB 4.46Å
435	A	76.8	Confident	75	Confident	18 Å²	18	42.9 Å²	42.9	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-54.9	-46.1	179	0	0	0	0	0	111.3	S431 K432 I438 E439 I486	S431-A435 PolarHBondContact O-N 3.34Å; K432-A435 PolarHBondContact O-N 3.2Å; A435-I438 PolarHBondContact O-N 3.45Å; A435-E439 WeakPolarHBondContact O-CB 3.24Å; A435-E439 PolarHBondContact O-N 3.35Å; A435-I486 HydrophobicContact CB-CD1 4.07Å; A435-I486 HydrophobicContact CB-CG2 4.2Å
436	Y	77.7	Confident	76.1	Confident	89 Å²	89	43.5 Å²	43.5	35%	0.349	21%	0.208	S	C	.	.	H	α-helix	trans	-65.5	-40.7	178.8	-171.9	-94.6	0	0	0	113	K432 L434 L440 Q537	K432-Y436 WeakPolarHBondContact O-CB 3.25Å; K432-Y436 PolarHBondContact O-N 3.05Å; L434-Y436 VanDerWaalsContact C-N 3.27Å; L434-Y436 PolarHBondContact O-N 2.89Å; Y436-L440 HydrophobicContact CD1-CD1 3.97Å; Y436-L440 HydrophobicContact CD1-CG 4.38Å; Y436-L440 HydrophobicContact CE1-CD1 3.23Å; Y436-L440 HydrophobicContact CE1-CG 3.88Å; Y436-L440 WeakPolarHBondContact O-CG 3.48Å; Y436-L440 PolarHBondContact O-N 3.38Å; Y436-Q537 HydrophobicContact CD1-CG 4.46Å; Y436-Q537 HydrophobicContact CE1-CG 3.77Å; Y436-Q537 PolarHBondContact OH-NE2 3.29Å
437	T	82.2	Confident	76.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-45.1	173.4	-69.8	0	0	0	0	111.6	I407 S433 L434 L440 V441 L532 G535 V536	I407-T437 HydrophobicContact CD1-CG2 4.08Å; S433-T437 PolarHBondContact O-N 3.23Å; S433-T437 VanDerWaalsContact O-N 3.07Å; S433-T437 PolarHBondContact O-OG1 2.96Å; L434-T437 PolarHBondContact O-N 3.21Å; T437-L440 PolarHBondContact O-N 2.96Å; T437-V441 HydrophobicContact CG2-CG2 4.2Å; T437-V441 WeakPolarHBondContact O-CB 3.33Å; T437-V441 WeakPolarHBondContact O-CG2 3.49Å; T437-V441 PolarHBondContact O-N 3.31Å; T437-L532 HydrophobicContact CG2-CD1 4.48Å; T437-G535 WeakPolarHBondContact OG1-CA 3.25Å; T437-G535 PolarHBondContact OG1-N 2.99Å; T437-V536 WeakPolarHBondContact CG2-O 3.3Å; T437-V536 PolarHBondContact OG1-N 3.18Å; T437-V536 PolarHBondContact OG1-O 2.84Å
438	I	82.5	Confident	77.5	Confident	3 Å²	3	48 Å²	48	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-45.4	-179.8	-62.9	168	0	0	0	110.2	I407 L434 A435 L440 V441 V442 I455 L483 V487 V495	I407-I438 HydrophobicContact CD1-CG1 4.32Å; L434-I438 HydrophobicContact CD1-CD1 3.92Å; L434-I438 HydrophobicContact CD1-CG1 4.19Å; L434-I438 HydrophobicContact CD2-CD1 4.46Å; L434-I438 HydrophobicContact CG-CD1 3.8Å; L434-I438 HydrophobicContact CG-CG1 4.43Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å; L434-I438 PolarHBondContact O-N 3.39Å; A435-I438 PolarHBondContact O-N 3.45Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 2.77Å; I438-V441 PolarHBondContact O-N 3.02Å; I438-V442 HydrophobicContact CG2-CG2 4.43Å; I438-V442 VanDerWaalsContact O-CG2 3.31Å; I438-V442 WeakPolarHBondContact O-CG2 3.46Å; I438-V442 PolarHBondContact O-N 3.11Å; I438-I455 HydrophobicContact CD1-CD1 3.59Å; I438-L483 HydrophobicContact CD1-CD2 3.61Å; I438-V487 HydrophobicContact CG2-CG2 3.99Å; I438-V495 HydrophobicContact CG2-CG2 4.32Å
439	E	81.2	Confident	78.1	Confident	79 Å²	79	48.3 Å²	48.3	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-53.6	-51.2	175.6	-174.2	-175.4	170.2	0	0	110.8	A435 V441 V442 H443 V487	A435-E439 WeakPolarHBondContact O-CB 3.24Å; A435-E439 PolarHBondContact O-N 3.35Å; E439-V441 PolarHBondContact O-N 3.08Å; E439-V442 PolarHBondContact O-N 3.06Å; E439-H443 WeakPolarHBondContact O-CB 3.45Å; E439-H443 PolarHBondContact O-CD2 2.77Å; E439-H443 VanDerWaalsContact O-CD2 3.26Å; E439-H443 PolarHBondContact O-N 3.19Å; E439-V487 HydrophobicContact CB-CG2 4.31Å
440	L	82.6	Confident	78.9	Confident	26 Å²	26	48.3 Å²	48.3	14%	0.136	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-37.9	178.4	-72.3	-173.7	0	0	0	113.3	Y436 T437 I438 V442 N444 Q537	Y436-L440 HydrophobicContact CD1-CD1 3.97Å; Y436-L440 HydrophobicContact CD1-CG 4.38Å; Y436-L440 HydrophobicContact CE1-CD1 3.23Å; Y436-L440 HydrophobicContact CE1-CG 3.88Å; Y436-L440 WeakPolarHBondContact O-CG 3.48Å; Y436-L440 PolarHBondContact O-N 3.38Å; T437-L440 PolarHBondContact O-N 2.96Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 2.77Å; L440-V442 VanDerWaalsContact C-N 3.26Å; L440-V442 PolarHBondContact O-N 2.8Å; L440-N444 WeakPolarHBondContact O-CB 3.12Å; L440-N444 PolarHBondContact O-N 3.19Å; L440-Q537 HydrophobicContact CD1-CB 3.49Å; L440-Q537 VanDerWaalsContact CD1-CB 3.49Å; L440-Q537 HydrophobicContact CD1-CG 3.67Å
441	V	84.1	Confident	80	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-43.2	176	167.3	0	0	0	0	110.3	V405 T437 I438 E439 A445 V453 L532 L538 W542	V405-V441 HydrophobicContact CG2-CG1 4.37Å; T437-V441 HydrophobicContact CG2-CG2 4.2Å; T437-V441 WeakPolarHBondContact O-CB 3.33Å; T437-V441 WeakPolarHBondContact O-CG2 3.49Å; T437-V441 PolarHBondContact O-N 3.31Å; I438-V441 PolarHBondContact O-N 3.02Å; E439-V441 PolarHBondContact O-N 3.08Å; V441-A445 PolarHBondContact O-N 3.48Å; V441-V453 HydrophobicContact CG1-CG2 3.84Å; V441-L532 HydrophobicContact CG2-CD1 3.91Å; V441-L538 HydrophobicContact CG2-CD1 3.92Å; V441-L538 HydrophobicContact CG2-CG 4.45Å; V441-W542 HydrophobicContact CG1-CZ2 3.85Å; V441-W542 PolarHBondContact O-NE1 2.75Å
442	V	83.2	Confident	80.8	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-76.1	-47.4	-178.9	-179.7	0	0	0	0	112.1	I438 E439 L440 A445 V487 V493	I438-V442 HydrophobicContact CG2-CG2 4.43Å; I438-V442 VanDerWaalsContact O-CG2 3.31Å; I438-V442 WeakPolarHBondContact O-CG2 3.46Å; I438-V442 PolarHBondContact O-N 3.11Å; E439-V442 PolarHBondContact O-N 3.06Å; L440-V442 VanDerWaalsContact C-N 3.26Å; L440-V442 PolarHBondContact O-N 2.8Å; V442-A445 PolarHBondContact O-N 3.12Å; V442-V487 HydrophobicContact CB-CG1 3.65Å; V442-V487 HydrophobicContact CG1-CG1 3.68Å; V442-V487 HydrophobicContact CG2-CG1 3.62Å; V442-V493 HydrophobicContact CG1-CG2 4.27Å; V442-V493 HydrophobicContact CG2-CB 4.36Å; V442-V493 HydrophobicContact CG2-CG1 3.82Å
443	H	83.4	Confident	81.4	Confident	103 Å²	103	34.8 Å²	34.8	48%	0.477	18%	0.177	S	C	.	.	H	α-helix	trans	-67.8	-38.1	-177.5	-85.2	-82.6	0	0	0	112.7	E439	E439-H443 WeakPolarHBondContact O-CB 3.45Å; E439-H443 PolarHBondContact O-CD2 2.77Å; E439-H443 VanDerWaalsContact O-CD2 3.26Å; E439-H443 PolarHBondContact O-N 3.19Å
444	N	84.5	Confident	82	Confident	32 Å²	32	34 Å²	34	17%	0.171	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.4	-177.2	-67.4	-19.2	0	0	0	113.8	L440 L538 P539 N541	L440-N444 WeakPolarHBondContact O-CB 3.12Å; L440-N444 PolarHBondContact O-N 3.19Å; N444-L538 PolarHBondContact ND2-O 3.5Å; N444-P539 WeakPolarHBondContact CB-O 3.24Å; N444-N541 WeakPolarHBondContact O-CA 3.45Å; N444-N541 PolarHBondContact O-N 3.27Å
445	A	83.4	Confident	82.3	Confident	5 Å²	5	33.8 Å²	33.8	4%	0.041	17%	0.171	C	C	.	.			trans	-66.4	140.6	173.1	0	0	0	0	0	111.7	V441 V442 G447 I451 R490	V441-A445 PolarHBondContact O-N 3.48Å; V442-A445 PolarHBondContact O-N 3.12Å; A445-G447 PolarHBondContact O-N 3.37Å; A445-I451 HydrophobicContact CB-CD1 3.46Å; A445-I451 VanDerWaalsContact CB-CD1 3.46Å; A445-R490 PolarHBondContact O-NH1 3.29Å
446	S	81.9	Confident	82.6	Confident	27 Å²	27	33 Å²	33	19%	0.189	16%	0.164	C	C	.	.			trans	-71	-15.5	-178.7	79.7	0	0	0	0	114.7	K448 N541 D543 S544	S446-K448 VanDerWaalsContact C-N 3.27Å; S446-K448 PolarHBondContact O-N 2.67Å; S446-K448 PolarHBondContact OG-N 3.03Å; S446-N541 WeakPolarHBondContact CA-OD1 3.31Å; S446-N541 WeakPolarHBondContact CB-OD1 3.35Å; S446-D543 WeakPolarHBondContact CB-OD1 3.15Å; S446-D543 WeakPolarHBondContact CB-OD2 3.27Å; S446-D543 PolarHBondContact N-OD1 3.3Å; S446-D543 VanDerWaalsContact OG-CG 3.22Å; S446-D543 PolarHBondContact OG-OD1 3.22Å; S446-D543 VanDerWaalsContact OG-OD1 3.11Å; S446-D543 PolarHBondContact OG-OD2 2.85Å; S446-S544 PolarHBondContact OG-OG 2.97Å
447	G	76.3	Confident	82.9	Confident	38 Å²	38	29.2 Å²	29.2	39%	0.392	15%	0.15	S	C	.	.	S	Bend	trans	74	12.2	-176.3	0	0	0	0	0	114.5	A445	A445-G447 PolarHBondContact O-N 3.37Å
448	K	75.2	Confident	82.6	Confident	139 Å²	139	30 Å²	30	60%	0.604	16%	0.155	S	C	*	.	S	Bend	trans	-91.8	-19.7	178.1	-64.6	-174.7	177.7	-173	0	113.9	S446	S446-K448 VanDerWaalsContact C-N 3.27Å; S446-K448 PolarHBondContact O-N 2.67Å; S446-K448 PolarHBondContact OG-N 3.03Å
449	R	79.1	Confident	81.9	Confident	12 Å²	12	31.6 Å²	31.6	5%	0.045	17%	0.167	C	C	.	.	S	Bend	trans	-129.6	152.3	-168.9	-63.1	-176.1	179.6	75.3	9.9	111.5	D401 M492 D543 S544 Y547	D401-R449 WeakPolarHBondContact OD1-CD 3.49Å; D401-R449 IonicContact OD1-NE 3.42Å; D401-R449 PolarHBondContact OD1-NE 3.38Å; D401-R449 WeakPolarHBondContact OD2-CG 3.18Å; D401-R449 IonicContact OD2-CZ 2.96Å; D401-R449 IonicContact OD2-NE 3.19Å; D401-R449 PolarHBondContact OD2-NE 3.03Å; D401-R449 VanDerWaalsContact OD2-NE 3.12Å; D401-R449 IonicContact OD2-NH2 2.78Å; R449-M492 WeakPolarHBondContact O-CE 3.19Å; R449-D543 IonicContact NH1-OD2 3.99Å; R449-D543 PolarHBondContact NH1-OD2 3.47Å; R449-S544 PolarHBondContact NH1-OG 3.44Å; R449-S544 VanDerWaalsContact NH1-OG 3.11Å; R449-Y547 VanDerWaalsContact CZ-CG 3.46Å; R449-Y547 VanDerWaalsContact NE-CD2 3.28Å; R449-Y547 VanDerWaalsContact NH2-CD2 3.29Å
450	Q	82.1	Confident	80.8	Confident	106 Å²	106	32.2 Å²	32.2	50%	0.495	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128	170	-70	179.9	-16.7	0	0	108.9	D401 S402 V403	D401-Q450 PolarHBondContact O-N 3.37Å; S402-Q450 CarbonylContact C-O 3.4Å; S402-Q450 VanDerWaalsContact CA-O 3.26Å; S402-Q450 WeakPolarHBondContact CA-O 3.26Å; V403-Q450 PolarHBondContact N-O 3.06Å
451	I	85	Confident	79.5	Confident	5 Å²	5	34 Å²	34	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.5	-177.4	-60.8	165.9	0	0	0	108.2	V403 V405 A445 V453 M492 V493 N494 W542 D543	V403-I451 WeakPolarHBondContact O-CA 2.96Å; V405-I451 HydrophobicContact CG2-CG2 4.17Å; A445-I451 HydrophobicContact CB-CD1 3.46Å; A445-I451 VanDerWaalsContact CB-CD1 3.46Å; I451-V453 HydrophobicContact CG2-CG2 4.15Å; I451-M492 PolarHBondContact N-O 3.19Å; I451-V493 HydrophobicContact CB-CG1 4.33Å; I451-V493 HydrophobicContact CB-CG2 4.22Å; I451-V493 HydrophobicContact CD1-CG2 4.36Å; I451-V493 HydrophobicContact CG2-CG1 4.19Å; I451-V493 CarbonylContact O-C 3.37Å; I451-V493 VanDerWaalsContact O-CA 3.31Å; I451-V493 WeakPolarHBondContact O-CA 3.44Å; I451-N494 PolarHBondContact O-N 2.97Å; I451-W542 HydrophobicContact CD1-CH2 4.24Å; I451-W542 HydrophobicContact CD1-CZ2 3.8Å; I451-W542 HydrophobicContact CG1-CH2 4.42Å; I451-W542 HydrophobicContact CG1-CZ2 4.42Å; I451-W542 HydrophobicContact CG2-CH2 4.08Å; I451-W542 HydrophobicContact CG2-CZ2 4.07Å; I451-D543 HydrophobicContact CD1-CB 4.34Å
452	E	87.8	Confident	77.6	Confident	26 Å²	26	43.9 Å²	43.9	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.8	174.4	-179.3	-176.3	-127.3	0	0	107.7	V403 T404 V405 I454 N494 N525	V403-E452 PolarHBondContact O-N 3.08Å; T404-E452 CarbonylContact C-O 3.58Å; T404-E452 VanDerWaalsContact CA-O 3.23Å; T404-E452 WeakPolarHBondContact CA-O 3.44Å; T404-E452 HydrophobicContact CG2-CB 4.41Å; T404-E452 HydrophobicContact CG2-CG 4.37Å; T404-E452 WeakPolarHBondContact CG2-OE2 3.41Å; T404-E452 PolarHBondContact OG1-OE2 3.42Å; V405-E452 PolarHBondContact N-O 3.01Å; E452-I454 HydrophobicContact CG-CD1 4.33Å; E452-I454 HydrophobicContact CG-CG1 3.96Å; E452-N494 CarbonylContact C-O 3.6Å; E452-N494 WeakPolarHBondContact CA-O 3.42Å; E452-N525 PolarHBondContact OE1-ND2 2.92Å; E452-N525 PolarHBondContact OE2-N 3.32Å
453	V	86.8	Confident	75.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113	176.7	-176.1	0	0	0	0	107.9	V405 I407 V441 I451 V493 N494 V495 Q496	V405-V453 HydrophobicContact CB-CG1 4.44Å; V405-V453 HydrophobicContact CB-CG2 4.2Å; V405-V453 HydrophobicContact CG1-CG1 4.48Å; V405-V453 CarbonylContact O-C 3.46Å; V405-V453 WeakPolarHBondContact O-CA 3.11Å; I407-V453 HydrophobicContact CD1-CG1 3.94Å; V441-V453 HydrophobicContact CG1-CG2 3.84Å; I451-V453 HydrophobicContact CG2-CG2 4.15Å; V453-V493 HydrophobicContact CG2-CG1 4.05Å; V453-N494 PolarHBondContact N-O 3.45Å; V453-V495 HydrophobicContact CB-CB 4.43Å; V453-V495 HydrophobicContact CB-CG1 4.23Å; V453-V495 HydrophobicContact CB-CG2 4.12Å; V453-V495 HydrophobicContact CG1-CG1 4.34Å; V453-V495 HydrophobicContact CG2-CG2 4.36Å; V453-V495 CarbonylContact O-C 3.49Å; V453-V495 WeakPolarHBondContact O-CA 3.24Å; V453-Q496 PolarHBondContact O-N 3.31Å
454	I	87.4	Confident	73	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.5	179.6	-60.5	-175.4	0	0	0	108	T404 V405 I406 I407 E452 Y498 A519 A524	T404-I454 HydrophobicContact CG2-CB 4.46Å; T404-I454 HydrophobicContact CG2-CD1 3.41Å; T404-I454 VanDerWaalsContact CG2-CD1 3.41Å; T404-I454 HydrophobicContact CG2-CG1 3.74Å; V405-I454 PolarHBondContact O-N 3.31Å; I406-I454 WeakPolarHBondContact CA-O 3.35Å; I407-I454 PolarHBondContact N-O 2.78Å; E452-I454 HydrophobicContact CG-CD1 4.33Å; E452-I454 HydrophobicContact CG-CG1 3.96Å; I454-Y498 HydrophobicContact CG2-CD2 3.85Å; I454-Y498 HydrophobicContact CG2-CE2 4.27Å; I454-A519 HydrophobicContact CG2-CB 4.25Å; I454-A524 HydrophobicContact CD1-CB 4.23Å
455	I	85.5	Confident	70.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.6	170	-52.6	165.2	0	0	0	106.3	I407 M409 L434 I438 L483 V495 Q496 L497 Y498	I407-I455 WeakPolarHBondContact O-CA 3.39Å; M409-I455 HydrophobicContact CG-CG2 3.8Å; L434-I455 HydrophobicContact CD2-CD1 4.45Å; L434-I455 HydrophobicContact CD2-CG2 4.37Å; I438-I455 HydrophobicContact CD1-CD1 3.59Å; I455-L483 HydrophobicContact CD1-CD1 4.05Å; I455-L483 HydrophobicContact CD1-CD2 4.22Å; I455-V495 HydrophobicContact CD1-CG1 4.02Å; I455-Q496 PolarHBondContact N-O 3.46Å; I455-L497 HydrophobicContact CB-CD1 3.76Å; I455-L497 HydrophobicContact CG2-CD1 3.56Å; I455-L497 WeakPolarHBondContact O-CA 3.49Å; I455-Y498 PolarHBondContact O-N 2.89Å
456	I	83.3	Confident	68.3	Low	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.9	177.7	-176.8	66.9	0	0	0	108.8	I406 I407 P408 M409 Y498 L515 Y518 A519 Y523	I406-I456 HydrophobicContact CG2-CG2 4.41Å; I407-I456 PolarHBondContact O-N 2.83Å; P408-I456 HydrophobicContact CB-CG2 4.22Å; M409-I456 PolarHBondContact N-O 2.71Å; I456-Y498 WeakPolarHBondContact CA-O 3.11Å; I456-L515 HydrophobicContact CB-CG 4.38Å; I456-L515 HydrophobicContact CG1-CD1 3.63Å; I456-L515 HydrophobicContact CG1-CD2 4.48Å; I456-L515 HydrophobicContact CG1-CG 3.76Å; I456-L515 HydrophobicContact CG2-CD2 4.08Å; I456-L515 HydrophobicContact CG2-CG 3.79Å; I456-Y518 HydrophobicContact CD1-CD1 3.96Å; I456-Y518 HydrophobicContact CD1-CE1 4.16Å; I456-Y518 HydrophobicContact CG1-CD1 4.49Å; I456-A519 HydrophobicContact CB-CB 4.04Å; I456-A519 HydrophobicContact CG1-CB 4.31Å; I456-A519 HydrophobicContact CG2-CB 3.91Å; I456-Y523 HydrophobicContact CD1-CE2 4.24Å
457	D	83	Confident	66	Low	10 Å²	10	64.4 Å²	64.4	5%	0.053	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.5	178	-172.5	4.3	0	0	0	110.5	M409 G410 V428 S459 L497 Y498 Y500	M409-D457 WeakPolarHBondContact O-CA 3.48Å; G410-D457 WeakPolarHBondContact CA-OD1 3.09Å; V428-D457 HydrophobicContact CG2-CB 4.11Å; D457-S459 VanDerWaalsContact CG-OG 3.25Å; D457-S459 PolarHBondContact OD1-N 3.23Å; D457-S459 WeakPolarHBondContact OD2-CB 3.46Å; D457-S459 PolarHBondContact OD2-OG 3.32Å; D457-L497 HydrophobicContact CB-CD1 4.44Å; D457-Y498 PolarHBondContact N-O 3.24Å; D457-Y500 WeakPolarHBondContact O-CB 3.22Å; D457-Y500 PolarHBondContact O-N 2.87Å
458	S	76.9	Confident	63.9	Low	16 Å²	16	71.5 Å²	71.5	11%	0.112	37%	0.37	C	S	.	.			trans	-74.9	-13.1	173.8	73	0	0	0	0	113.4	M409 G410 Y411	M409-S458 PolarHBondContact O-N 2.79Å; G410-S458 VanDerWaalsContact CA-OG 3.32Å; G410-S458 WeakPolarHBondContact CA-OG 3.3Å; Y411-S458 PolarHBondContact N-OG 2.77Å; Y411-S458 PolarHBondContact O-OG 3.06Å
459	S	67.8	Low	61.7	Low	38 Å²	38	72.3 Å²	72.3	27%	0.266	38%	0.38	S	S	.	.	S	Bend	trans	-65.5	131.7	178.2	81.4	0	0	0	0	111.2	D457 S461	D457-S459 VanDerWaalsContact CG-OG 3.25Å; D457-S459 PolarHBondContact OD1-N 3.23Å; D457-S459 WeakPolarHBondContact OD2-CB 3.46Å; D457-S459 PolarHBondContact OD2-OG 3.32Å; S459-S461 PolarHBondContact O-N 2.86Å
460	P	58	Low	59.2	Low	92 Å²	92	78.6 Å²	78.6	60%	0.597	41%	0.414	S	S	*	.			trans	-63.2	137.9	178.6	25.2	-32.6	0	0	0	109.3	K462	P460-K462 PolarHBondContact O-N 2.7Å
461	S	54.8	Low	56.6	Low	63 Å²	63	81.6 Å²	81.6	44%	0.441	43%	0.433	S	S	.	.			trans	-55.3	112.6	178.9	58.5	0	0	0	0	109.8	S459 L463	S459-S461 PolarHBondContact O-N 2.86Å; S461-L463 PolarHBondContact O-N 3.42Å
462	K	44.9	Very low	53.8	Low	208 Å²	208	85.3 Å²	85.3	90%	0.904	46%	0.459	S	S	*	.			trans	-71.5	18.1	174	-75.4	-175	179.2	175.4	0	112.8	P460 S464	P460-K462 PolarHBondContact O-N 2.7Å; K462-S464 PolarHBondContact O-N 2.74Å
463	L	39.2	Very low	50.9	Low	129 Å²	129	89.9 Å²	89.9	68%	0.675	49%	0.494	S	S	*	.			trans	-74.3	97	170.5	-97.7	95.1	0	0	0	108.6	S461 Q465	S461-L463 PolarHBondContact O-N 3.42Å; L463-Q465 PolarHBondContact O-N 2.78Å
464	S	31.1	Very low	48.2	Very low	75 Å²	75	95.2 Å²	95.2	52%	0.524	53%	0.527	S	S	.	.			trans	-40.9	132.4	165.1	41	0	0	0	0	111.1	K462 T466	K462-S464 PolarHBondContact O-N 2.74Å; S464-T466 PolarHBondContact O-N 2.97Å; S464-T466 PolarHBondContact OG-OG1 2.87Å
465	Q	36.4	Very low	45.4	Very low	177 Å²	177	99 Å²	99	83%	0.827	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	12.1	177.2	-71.2	176.6	-21.7	0	0	115.4	L463	L463-Q465 PolarHBondContact O-N 2.78Å
466	T	31.8	Very low	43	Very low	111 Å²	111	105.9 Å²	105.9	68%	0.681	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-13.8	-179.7	38.8	0	0	0	0	114.8	S464	S464-T466 PolarHBondContact O-N 2.97Å; S464-T466 PolarHBondContact OG-OG1 2.87Å
467	D	33.2	Very low	40.7	Very low	108 Å²	108	109.6 Å²	109.6	58%	0.578	61%	0.614	S	S	*	*			trans	-96.2	18.5	179.7	-74.6	-20.5	0	0	0	114.8	L469	D467-L469 PolarHBondContact O-N 3.12Å
468	K	32.8	Very low	38.7	Very low	186 Å²	186	115.1 Å²	115.1	81%	0.809	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	14.6	175	-93.7	-176.3	176.7	179.9	0	115.3
469	L	29.2	Very low	37.1	Very low	157 Å²	157	115.8 Å²	115.8	82%	0.822	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	5.6	-169.3	-108.3	151	0	0	0	116.1	D467	D467-L469 PolarHBondContact O-N 3.12Å
470	L	27.3	Very low	36.2	Very low	144 Å²	144	116 Å²	116	75%	0.754	65%	0.646	S	S	*	*			trans	-114	91.8	174.1	-75.2	164.3	0	0	0	111.7	S472	L470-S472 PolarHBondContact O-N 2.88Å
471	N	25.8	Very low	35.6	Very low	169 Å²	169	117.7 Å²	117.7	90%	0.904	65%	0.645	S	S	*	*			trans	-56.3	91.2	157.2	-70.2	-32.3	0	0	0	110
472	S	27	Very low	35.4	Very low	82 Å²	82	119 Å²	119	57%	0.573	64%	0.642	S	S	*	*	S	Bend	trans	-171.4	142.6	157.9	53.2	0	0	0	0	112.3	L470 T474	L470-S472 PolarHBondContact O-N 2.88Å; S472-T474 VanDerWaalsContact C-N 3.27Å; S472-T474 PolarHBondContact O-N 3.34Å
473	S	27.7	Very low	35.9	Very low	123 Å²	123	110 Å²	110	86%	0.86	60%	0.603	S	S	*	*	S	Bend	trans	-62	40.4	-170	60.4	0	0	0	0	118.3
474	T	30.3	Very low	36.6	Very low	111 Å²	111	108.8 Å²	108.8	68%	0.681	59%	0.594	S	S	*	*			trans	-147.1	59.4	-170.2	51.9	0	0	0	0	113.9	S472	S472-T474 VanDerWaalsContact C-N 3.27Å; S472-T474 PolarHBondContact O-N 3.34Å
475	A	28.3	Very low	37.6	Very low	81 Å²	81	111.9 Å²	111.9	67%	0.669	60%	0.604	S	S	*	*			trans	-115.2	50.4	178.1	0	0	0	0	0	113.2
476	H	35	Very low	38.3	Very low	143 Å²	143	106.2 Å²	106.2	66%	0.662	58%	0.579	S	S	*	*			trans	-143.2	76.5	171.2	-68.1	-62.8	0	0	0	113.2	T480	H476-T480 VanDerWaalsContact C-OG1 3.28Å; H476-T480 PolarHBondContact O-OG1 3.11Å
477	P	34.8	Very low	39.4	Very low	78 Å²	78	101.2 Å²	101.2	51%	0.506	55%	0.548	S	S	.	.			trans	-108.2	-44.5	178.9	0.6	21.9	0	0	0	116.4	T480 E481	P477-T480 PolarHBondContact O-OG1 3.44Å; P477-E481 PolarHBondContact O-N 3.38Å
478	I	40.5	Very low	40.3	Very low	127 Å²	127	104 Å²	104	65%	0.651	56%	0.558	S	S	*	*	H	α-helix	trans	-85	-29.6	-155.4	-55.8	173.8	0	0	0	114.8
479	V	43.8	Very low	41.3	Very low	30 Å²	30	98 Å²	98	18%	0.182	54%	0.537	C	S	.	.	H	α-helix	trans	-97.1	-23.4	177.9	-170.5	0	0	0	0	111.8	V428 E481 Y482 L483 L497	V428-V479 HydrophobicContact CG1-CG1 4.49Å; V479-E481 VanDerWaalsContact C-N 3.32Å; V479-Y482 PolarHBondContact O-N 2.85Å; V479-L483 HydrophobicContact CG1-CD1 4.13Å; V479-L483 HydrophobicContact CG1-CG 4.39Å; V479-L483 WeakPolarHBondContact O-CB 3.22Å; V479-L483 WeakPolarHBondContact O-CG 3.23Å; V479-L483 PolarHBondContact O-N 2.67Å; V479-L497 HydrophobicContact CB-CD2 3.71Å; V479-L497 HydrophobicContact CG1-CD2 3.47Å; V479-L497 VanDerWaalsContact CG1-CD2 3.47Å; V479-L497 HydrophobicContact CG2-CD2 3.91Å
480	T	48.3	Very low	42.6	Very low	42 Å²	42	96.9 Å²	96.9	26%	0.258	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-39.2	170.5	4.5	0	0	0	0	111.2	H476 P477 L483 H484	H476-T480 VanDerWaalsContact C-OG1 3.28Å; H476-T480 PolarHBondContact O-OG1 3.11Å; P477-T480 PolarHBondContact O-OG1 3.44Å; T480-L483 PolarHBondContact O-N 2.83Å; T480-H484 WeakPolarHBondContact O-CB 3.28Å; T480-H484 PolarHBondContact O-CD2 3.28Å; T480-H484 PolarHBondContact O-N 2.98Å
481	E	46.7	Very low	43.7	Very low	127 Å²	127	96.8 Å²	96.8	59%	0.593	53%	0.532	S	S	*	.	H	α-helix	trans	-62.8	-48	173.8	-79.6	178.3	171.4	0	0	112.5	P477 V479 L483 H484 D485	P477-E481 PolarHBondContact O-N 3.38Å; V479-E481 VanDerWaalsContact C-N 3.32Å; E481-L483 VanDerWaalsContact C-N 3.29Å; E481-L483 PolarHBondContact O-N 3.47Å; E481-H484 PolarHBondContact O-N 2.9Å; E481-H484 VanDerWaalsContact O-N 3.17Å; E481-D485 WeakPolarHBondContact O-CB 3.49Å; E481-D485 PolarHBondContact O-N 3.44Å
482	Y	50.1	Low	45.6	Very low	92 Å²	92	92.2 Å²	92.2	36%	0.361	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-39.5	177	-178.8	-103	0	0	0	112.4	V479 I486	V479-Y482 PolarHBondContact O-N 2.85Å; Y482-I486 HydrophobicContact CD1-CD1 3.7Å; Y482-I486 HydrophobicContact CD2-CD1 4.11Å; Y482-I486 HydrophobicContact CE1-CD1 3.28Å; Y482-I486 HydrophobicContact CE2-CD1 3.73Å; Y482-I486 HydrophobicContact CG-CD1 4.1Å; Y482-I486 WeakPolarHBondContact O-CD1 3.36Å; Y482-I486 WeakPolarHBondContact O-CG1 3.37Å; Y482-I486 PolarHBondContact O-N 2.89Å
483	L	54.2	Low	47.8	Very low	19 Å²	19	88.9 Å²	88.9	10%	0.099	48%	0.482	C	S	.	.	H	α-helix	trans	-73.8	-34.7	177.7	-69.3	170.6	0	0	0	112.5	I438 I455 V479 T480 E481 V487 V495	I438-L483 HydrophobicContact CD1-CD2 3.61Å; I455-L483 HydrophobicContact CD1-CD1 4.05Å; I455-L483 HydrophobicContact CD1-CD2 4.22Å; V479-L483 HydrophobicContact CG1-CD1 4.13Å; V479-L483 HydrophobicContact CG1-CG 4.39Å; V479-L483 WeakPolarHBondContact O-CB 3.22Å; V479-L483 WeakPolarHBondContact O-CG 3.23Å; V479-L483 PolarHBondContact O-N 2.67Å; T480-L483 PolarHBondContact O-N 2.83Å; E481-L483 VanDerWaalsContact C-N 3.29Å; E481-L483 PolarHBondContact O-N 3.47Å; L483-V487 PolarHBondContact O-N 2.84Å; L483-V495 HydrophobicContact CD1-CG1 4.17Å
484	H	54.9	Low	50.3	Low	103 Å²	103	87 Å²	87	48%	0.477	46%	0.463	S	S	.	.	H	α-helix	trans	-71.8	-31.1	175.6	-85.3	-58.3	0	0	0	113.1	T480 E481	T480-H484 WeakPolarHBondContact O-CB 3.28Å; T480-H484 PolarHBondContact O-CD2 3.28Å; T480-H484 PolarHBondContact O-N 2.98Å; E481-H484 PolarHBondContact O-N 2.9Å; E481-H484 VanDerWaalsContact O-N 3.17Å
485	D	51.6	Low	52.6	Low	139 Å²	139	83.2 Å²	83.2	74%	0.743	44%	0.44	S	S	*	.	H	α-helix	trans	-75.6	-30.5	177.1	-76.1	-14.5	0	0	0	112.5	E481	E481-D485 WeakPolarHBondContact O-CB 3.49Å; E481-D485 PolarHBondContact O-N 3.44Å
486	I	51.9	Low	55.2	Low	58 Å²	58	81.8 Å²	81.8	30%	0.297	42%	0.419	S	S	.	.	H	α-helix	trans	-81.8	-35.1	-179.5	-66.5	169.8	0	0	0	111.5	A435 Y482	A435-I486 HydrophobicContact CB-CD1 4.07Å; A435-I486 HydrophobicContact CB-CG2 4.2Å; Y482-I486 HydrophobicContact CD1-CD1 3.7Å; Y482-I486 HydrophobicContact CD2-CD1 4.11Å; Y482-I486 HydrophobicContact CE1-CD1 3.28Å; Y482-I486 HydrophobicContact CE2-CD1 3.73Å; Y482-I486 HydrophobicContact CG-CD1 4.1Å; Y482-I486 WeakPolarHBondContact O-CD1 3.36Å; Y482-I486 WeakPolarHBondContact O-CG1 3.37Å; Y482-I486 PolarHBondContact O-N 2.89Å
487	V	54	Low	57.4	Low	6 Å²	6	76.2 Å²	76.2	4%	0.036	39%	0.394	C	S	.	.			trans	-136.8	113.6	-173.7	-171.3	0	0	0	0	109.8	I438 E439 V442 L483 P489	I438-V487 HydrophobicContact CG2-CG2 3.99Å; E439-V487 HydrophobicContact CB-CG2 4.31Å; V442-V487 HydrophobicContact CB-CG1 3.65Å; V442-V487 HydrophobicContact CG1-CG1 3.68Å; V442-V487 HydrophobicContact CG2-CG1 3.62Å; L483-V487 PolarHBondContact O-N 2.84Å; V487-P489 WeakPolarHBondContact O-CD 3.35Å; V487-P489 VanDerWaalsContact O-N 3.15Å
488	H	51.9	Low	59.7	Low	168 Å²	168	74.9 Å²	74.9	78%	0.778	38%	0.379	S	S	*	.			trans	-67.7	106.9	163.7	-71	-33.8	0	0	0	108.5	R490	H488-R490 PolarHBondContact O-N 2.97Å
489	P	53.5	Low	61.6	Low	58 Å²	58	72.3 Å²	72.3	38%	0.377	36%	0.364	S	S	.	.			trans	-66	124.7	-178.1	27.4	-31	0	0	0	108.3	V487 V493	V487-P489 WeakPolarHBondContact O-CD 3.35Å; V487-P489 VanDerWaalsContact O-N 3.15Å; P489-V493 WeakPolarHBondContact CB-O 3.44Å
490	R	56.9	Low	63.2	Low	134 Å²	134	71.2 Å²	71.2	51%	0.506	36%	0.357	S	S	.	.			trans	-54.6	144.9	158.8	-71.2	-178.3	171.1	174.2	0.3	107.2	A445 H488 M492 V493	A445-R490 PolarHBondContact O-NH1 3.29Å; H488-R490 PolarHBondContact O-N 2.97Å; R490-M492 PolarHBondContact O-N 3.19Å; R490-V493 PolarHBondContact O-N 2.87Å
491	C	50.3	Low	64.6	Low	143 Å²	143	72.1 Å²	72.1	97%	0.966	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	0.9	-173.6	-65.4	0	0	0	0	117.1
492	M	67	Low	65.7	Low	72 Å²	72	68.2 Å²	68.2	36%	0.355	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-1.9	-176	-57.3	-178.2	75.4	0	0	113.9	R449 I451 R490	R449-M492 WeakPolarHBondContact O-CE 3.19Å; I451-M492 PolarHBondContact N-O 3.19Å; R490-M492 PolarHBondContact O-N 3.19Å
493	V	72.7	Confident	66.5	Low	12 Å²	12	68.3 Å²	68.3	7%	0.073	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.9	177.8	-169.9	0	0	0	0	110	V442 I451 V453 P489 R490 V495	V442-V493 HydrophobicContact CG1-CG2 4.27Å; V442-V493 HydrophobicContact CG2-CB 4.36Å; V442-V493 HydrophobicContact CG2-CG1 3.82Å; I451-V493 HydrophobicContact CB-CG1 4.33Å; I451-V493 HydrophobicContact CB-CG2 4.22Å; I451-V493 HydrophobicContact CD1-CG2 4.36Å; I451-V493 HydrophobicContact CG2-CG1 4.19Å; I451-V493 CarbonylContact O-C 3.37Å; I451-V493 VanDerWaalsContact O-CA 3.31Å; I451-V493 WeakPolarHBondContact O-CA 3.44Å; V453-V493 HydrophobicContact CG2-CG1 4.05Å; P489-V493 WeakPolarHBondContact CB-O 3.44Å; R490-V493 PolarHBondContact O-N 2.87Å; V493-V495 HydrophobicContact CG1-CG2 4.32Å
494	N	79.9	Confident	67.2	Low	85 Å²	85	71.1 Å²	71.1	46%	0.455	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.5	172.4	-167.5	6	0	0	0	109.4	I451 E452 V453 Q496	I451-N494 PolarHBondContact O-N 2.97Å; E452-N494 CarbonylContact C-O 3.6Å; E452-N494 WeakPolarHBondContact CA-O 3.42Å; V453-N494 PolarHBondContact N-O 3.45Å; N494-Q496 PolarHBondContact ND2-NE2 3.48Å
495	V	78.9	Confident	67.5	Low	31 Å²	31	68.4 Å²	68.4	19%	0.188	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.3	179.1	-173.8	0	0	0	0	108.6	I438 V453 I455 L483 V493	I438-V495 HydrophobicContact CG2-CG2 4.32Å; V453-V495 HydrophobicContact CB-CB 4.43Å; V453-V495 HydrophobicContact CB-CG1 4.23Å; V453-V495 HydrophobicContact CB-CG2 4.12Å; V453-V495 HydrophobicContact CG1-CG1 4.34Å; V453-V495 HydrophobicContact CG2-CG2 4.36Å; V453-V495 CarbonylContact O-C 3.49Å; V453-V495 WeakPolarHBondContact O-CA 3.24Å; I455-V495 HydrophobicContact CD1-CG1 4.02Å; L483-V495 HydrophobicContact CD1-CG1 4.17Å; V493-V495 HydrophobicContact CG1-CG2 4.32Å
496	Q	82.2	Confident	68.1	Low	50 Å²	50	67.3 Å²	67.3	23%	0.234	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139	-176.4	-64.5	178.6	-11.7	0	0	110.5	V453 I455 N494 Y498	V453-Q496 PolarHBondContact O-N 3.31Å; I455-Q496 PolarHBondContact N-O 3.46Å; N494-Q496 PolarHBondContact ND2-NE2 3.48Å; Q496-Y498 HydrophobicContact CB-CD2 4.29Å; Q496-Y498 HydrophobicContact CB-CE2 3.6Å; Q496-Y498 VanDerWaalsContact OE1-CE2 3.32Å; Q496-Y498 PolarHBondContact OE1-OH 2.88Å
497	L	81.5	Confident	68.7	Low	27 Å²	27	66.7 Å²	66.7	14%	0.141	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.9	173.9	175.7	67.8	0	0	0	109.8	V428 I455 D457 V479	V428-L497 HydrophobicContact CG1-CD1 4.33Å; V428-L497 HydrophobicContact CG1-CD2 4.39Å; I455-L497 HydrophobicContact CB-CD1 3.76Å; I455-L497 HydrophobicContact CG2-CD1 3.56Å; I455-L497 WeakPolarHBondContact O-CA 3.49Å; D457-L497 HydrophobicContact CB-CD1 4.44Å; V479-L497 HydrophobicContact CB-CD2 3.71Å; V479-L497 HydrophobicContact CG1-CD2 3.47Å; V479-L497 VanDerWaalsContact CG1-CD2 3.47Å; V479-L497 HydrophobicContact CG2-CD2 3.91Å
498	Y	82.7	Confident	69.1	Low	50 Å²	50	73.8 Å²	73.8	20%	0.196	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.3	173.5	-64.3	-81.3	0	0	0	110.5	I454 I455 I456 D457 Q496 Y523	I454-Y498 HydrophobicContact CG2-CD2 3.85Å; I454-Y498 HydrophobicContact CG2-CE2 4.27Å; I455-Y498 PolarHBondContact O-N 2.89Å; I456-Y498 WeakPolarHBondContact CA-O 3.11Å; D457-Y498 PolarHBondContact N-O 3.24Å; Q496-Y498 HydrophobicContact CB-CD2 4.29Å; Q496-Y498 HydrophobicContact CB-CE2 3.6Å; Q496-Y498 VanDerWaalsContact OE1-CE2 3.32Å; Q496-Y498 PolarHBondContact OE1-OH 2.88Å; Y498-Y523 AromaticContact CD1-CD1 3.7Å; Y498-Y523 HydrophobicContact CD1-CD1 3.7Å; Y498-Y523 HydrophobicContact CD1-CD2 4.19Å; Y498-Y523 AromaticContact CD1-CE1 3.38Å; Y498-Y523 HydrophobicContact CD1-CE1 3.38Å; Y498-Y523 AromaticContact CD1-CE2 3.92Å; Y498-Y523 HydrophobicContact CD1-CE2 3.92Å; Y498-Y523 HydrophobicContact CD1-CG 4.11Å; Y498-Y523 AromaticContact CD1-CZ 3.51Å; Y498-Y523 HydrophobicContact CD2-CD1 4.3Å; Y498-Y523 AromaticContact CD2-CD2 3.93Å; Y498-Y523 HydrophobicContact CD2-CD2 3.93Å; Y498-Y523 HydrophobicContact CD2-CE2 4.32Å; Y498-Y523 AromaticContact CD2-CG 3.94Å; Y498-Y523 HydrophobicContact CD2-CG 3.94Å; Y498-Y523 AromaticContact CE1-CD1 3.51Å; Y498-Y523 HydrophobicContact CE1-CD1 3.51Å; Y498-Y523 AromaticContact CE1-CE1 3.51Å; Y498-Y523 HydrophobicContact CE1-CE1 3.51Å; Y498-Y523 HydrophobicContact CE1-CG 4.13Å; Y498-Y523 HydrophobicContact CE2-CD1 4.11Å; Y498-Y523 HydrophobicContact CE2-CD2 4.4Å; Y498-Y523 AromaticContact CE2-CG 3.94Å; Y498-Y523 HydrophobicContact CE2-CG 3.94Å; Y498-Y523 HydrophobicContact CG-CD1 4.08Å; Y498-Y523 AromaticContact CG-CD2 3.78Å; Y498-Y523 HydrophobicContact CG-CD2 3.78Å; Y498-Y523 AromaticContact CG-CE1 3.99Å; Y498-Y523 HydrophobicContact CG-CE1 3.99Å; Y498-Y523 AromaticContact CG-CE2 3.69Å; Y498-Y523 HydrophobicContact CG-CE2 3.69Å; Y498-Y523 AromaticContact CG-CG 4Å; Y498-Y523 HydrophobicContact CG-CG 4Å; Y498-Y523 AromaticContact CG-CZ 3.8Å; Y498-Y523 AromaticContact CZ-CD1 3.71Å
499	H	80.4	Confident	69.9	Low	73 Å²	73	69.4 Å²	69.4	34%	0.338	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.7	173.9	-61.6	77.1	0	0	0	108.6	D501	H499-D501 PolarHBondContact O-N 3.49Å
500	Y	77.5	Confident	70.9	Confident	6 Å²	6	66.9 Å²	66.9	2%	0.024	37%	0.374	C	S	.	.			trans	-68.6	126.1	175.7	-179.5	-104.5	0	0	0	110.7	D457 P502 T505 I507 P510 L515 Y518	D457-Y500 WeakPolarHBondContact O-CB 3.22Å; D457-Y500 PolarHBondContact O-N 2.87Å; Y500-P502 HydrophobicContact CE1-CB 4.17Å; Y500-P502 WeakPolarHBondContact O-CD 3.36Å; Y500-T505 HydrophobicContact CE2-CG2 4.5Å; Y500-T505 VanDerWaalsContact CZ-OG1 3.27Å; Y500-T505 PolarHBondContact OH-OG1 3.23Å; Y500-I507 WeakPolarHBondContact CE1-O 3.26Å; Y500-I507 PolarHBondContact OH-O 2.83Å; Y500-P510 HydrophobicContact CD1-CG 3.74Å; Y500-P510 HydrophobicContact CD2-CG 4.31Å; Y500-P510 HydrophobicContact CE1-CB 4.02Å; Y500-P510 HydrophobicContact CE1-CG 3.57Å; Y500-P510 HydrophobicContact CE2-CB 4.08Å; Y500-P510 HydrophobicContact CE2-CG 4.18Å; Y500-P510 HydrophobicContact CG-CG 4.07Å; Y500-L515 HydrophobicContact CD2-CD1 3.85Å; Y500-L515 HydrophobicContact CG-CD1 3.94Å; Y500-Y518 AromaticContact CD2-CD1 3.74Å; Y500-Y518 HydrophobicContact CD2-CD1 3.74Å; Y500-Y518 HydrophobicContact CD2-CD2 4.28Å; Y500-Y518 HydrophobicContact CD2-CE1 4.18Å; Y500-Y518 AromaticContact CD2-CG 3.79Å; Y500-Y518 HydrophobicContact CD2-CG 3.79Å; Y500-Y518 HydrophobicContact CE2-CD1 4.37Å; Y500-Y518 HydrophobicContact CE2-CD2 4.15Å; Y500-Y518 AromaticContact CE2-CG 3.95Å; Y500-Y518 HydrophobicContact CE2-CG 3.95Å
501	D	77.1	Confident	71.9	Confident	62 Å²	62	61 Å²	61	33%	0.332	35%	0.354	S	S	.	.			trans	-100.6	106.9	174.2	-168.6	-16.7	0	0	0	110	H499 S503 V504	H499-D501 PolarHBondContact O-N 3.49Å; D501-S503 PolarHBondContact O-N 3.43Å; D501-S503 VanDerWaalsContact O-N 3.16Å; D501-S503 WeakPolarHBondContact OD1-CB 3.18Å; D501-S503 PolarHBondContact OD1-N 2.85Å; D501-S503 PolarHBondContact OD1-OG 2.89Å; D501-S503 PolarHBondContact OD2-OG 2.96Å; D501-S503 VanDerWaalsContact OD2-OG 3.05Å; D501-V504 HydrophobicContact CB-CG2 4.12Å; D501-V504 PolarHBondContact O-N 2.62Å
502	P	70.7	Confident	73.2	Confident	44 Å²	44	55.3 Å²	55.3	29%	0.286	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-17.7	179.1	26.9	-34	0	0	0	112.7	Y500 V504 T505 S506 I507	Y500-P502 HydrophobicContact CE1-CB 4.17Å; Y500-P502 WeakPolarHBondContact O-CD 3.36Å; P502-V504 VanDerWaalsContact C-N 3.25Å; P502-V504 PolarHBondContact O-N 3.39Å; P502-T505 PolarHBondContact O-N 2.99Å; P502-S506 WeakPolarHBondContact O-CA 3.45Å; P502-S506 PolarHBondContact O-N 2.74Å; P502-I507 WeakPolarHBondContact CB-O 3.21Å
503	S	66.8	Low	73.8	Confident	95 Å²	95	51.9 Å²	51.9	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-66.3	-27.3	178	73.3	0	0	0	0	113	D501	D501-S503 PolarHBondContact O-N 3.43Å; D501-S503 VanDerWaalsContact O-N 3.16Å; D501-S503 WeakPolarHBondContact OD1-CB 3.18Å; D501-S503 PolarHBondContact OD1-N 2.85Å; D501-S503 PolarHBondContact OD1-OG 2.89Å; D501-S503 PolarHBondContact OD2-OG 2.96Å; D501-S503 VanDerWaalsContact OD2-OG 3.05Å
504	V	68.7	Low	74.2	Confident	77 Å²	77	53.1 Å²	53.1	47%	0.467	30%	0.3	S	S	.	.	H	α-helix	trans	-78.7	-32.1	-177.3	-179.2	0	0	0	0	112	D501 P502 Y518	D501-V504 HydrophobicContact CB-CG2 4.12Å; D501-V504 PolarHBondContact O-N 2.62Å; P502-V504 VanDerWaalsContact C-N 3.25Å; P502-V504 PolarHBondContact O-N 3.39Å; V504-Y518 HydrophobicContact CB-CE2 3.99Å; V504-Y518 HydrophobicContact CG1-CE2 3.97Å; V504-Y518 HydrophobicContact CG2-CE2 4.39Å
505	T	62.1	Low	74.4	Confident	47 Å²	47	49.3 Å²	49.3	29%	0.288	28%	0.28	S	S	.	.	H	α-helix	trans	-119.7	-7.1	-168.6	54.4	0	0	0	0	114.3	Y500 P502 I507 Y518	Y500-T505 HydrophobicContact CE2-CG2 4.5Å; Y500-T505 VanDerWaalsContact CZ-OG1 3.27Å; Y500-T505 PolarHBondContact OH-OG1 3.23Å; P502-T505 PolarHBondContact O-N 2.99Å; T505-I507 PolarHBondContact O-N 3.44Å; T505-Y518 HydrophobicContact CG2-CD2 3.87Å; T505-Y518 HydrophobicContact CG2-CE2 4.33Å
506	S	62.8	Low	74.7	Confident	115 Å²	115	47.9 Å²	47.9	80%	0.804	27%	0.271	S	S	*	.			trans	63.6	7.5	-176.9	70	0	0	0	0	116.2	P502	P502-S506 WeakPolarHBondContact O-CA 3.45Å; P502-S506 PolarHBondContact O-N 2.74Å
507	I	65.7	Low	74.9	Confident	45 Å²	45	47.9 Å²	47.9	23%	0.231	27%	0.269	C	S	.	.			trans	-100.8	121	-179.3	-62	161	0	0	0	108.4	Y500 P502 T505 E514	Y500-I507 WeakPolarHBondContact CE1-O 3.26Å; Y500-I507 PolarHBondContact OH-O 2.83Å; P502-I507 WeakPolarHBondContact CB-O 3.21Å; T505-I507 PolarHBondContact O-N 3.44Å; I507-E514 WeakPolarHBondContact CD1-OE1 3.16Å
508	L	61.4	Low	75.1	Confident	155 Å²	155	47.4 Å²	47.4	81%	0.812	27%	0.265	S	S	*	.	S	Bend	trans	-75.7	-33.1	-175.9	-135.1	92.6	0	0	0	112.7
509	T	70.1	Confident	75.3	Confident	76 Å²	76	45 Å²	45	47%	0.466	26%	0.256	S	S	.	.	S	Bend	trans	-132.9	91	-177.2	51.3	0	0	0	0	108.2	H413	H413-T509 PolarHBondContact CD2-O 2.79Å
510	P	74.2	Confident	75.6	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.032	24%	0.244	C	C	.	.			trans	-68.5	142.5	-176.8	27.9	-34.3	0	0	0	111	H413 Y500 E514 L515	H413-P510 PolarHBondContact N-O 3.33Å; Y500-P510 HydrophobicContact CD1-CG 3.74Å; Y500-P510 HydrophobicContact CD2-CG 4.31Å; Y500-P510 HydrophobicContact CE1-CB 4.02Å; Y500-P510 HydrophobicContact CE1-CG 3.57Å; Y500-P510 HydrophobicContact CE2-CB 4.08Å; Y500-P510 HydrophobicContact CE2-CG 4.18Å; Y500-P510 HydrophobicContact CG-CG 4.07Å; P510-E514 HydrophobicContact CB-CB 4.03Å; P510-L515 HydrophobicContact CG-CD1 4.12Å
511	S	76.5	Confident	75.9	Confident	11 Å²	11	46.5 Å²	46.5	8%	0.077	27%	0.266	C	S	.	.			trans	-66	158.8	162.1	77.2	0	0	0	0	110	G513 E514 L515 R620	S511-G513 PolarHBondContact O-N 3.47Å; S511-E514 PolarHBondContact N-OE2 2.96Å; S511-E514 VanDerWaalsContact N-OE2 3.08Å; S511-E514 WeakPolarHBondContact O-CA 3.37Å; S511-E514 WeakPolarHBondContact O-CB 3.23Å; S511-E514 PolarHBondContact O-N 2.91Å; S511-E514 WeakPolarHBondContact OG-CG 3.38Å; S511-E514 PolarHBondContact OG-N 3.31Å; S511-L515 PolarHBondContact O-N 2.81Å; S511-R620 PolarHBondContact OG-O 2.76Å
512	R	77.8	Confident	76.2	Confident	23 Å²	23	48.7 Å²	48.7	9%	0.087	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-36.5	176.8	-156.3	171.3	-149.8	171.4	10.5	112.1	P408 D416 L515 I516 E533	P408-R512 HydrophobicContact CB-CG 3.82Å; P408-R512 HydrophobicContact CG-CG 3.78Å; P408-R512 PolarHBondContact O-NH2 3.42Å; D416-R512 PolarHBondContact OD2-N 3.32Å; R512-L515 PolarHBondContact O-N 2.84Å; R512-I516 WeakPolarHBondContact O-CD1 3.41Å; R512-I516 VanDerWaalsContact O-CG1 3.26Å; R512-I516 WeakPolarHBondContact O-CG1 3.36Å; R512-I516 PolarHBondContact O-N 2.94Å; R512-E533 IonicContact CZ-OE1 3.17Å; R512-E533 VanDerWaalsContact NH1-CD 3.32Å; R512-E533 IonicContact NH1-OE1 2.77Å; R512-E533 PolarHBondContact NH1-OE1 2.86Å; R512-E533 IonicContact NH1-OE2 2.55Å
513	G	80.1	Confident	76.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-37.9	173.8	0	0	0	0	0	113.2	S511 R517 P619 S621	S511-G513 PolarHBondContact O-N 3.47Å; G513-R517 VanDerWaalsContact O-CB 3.3Å; G513-R517 WeakPolarHBondContact O-CB 3.32Å; G513-R517 PolarHBondContact O-N 2.93Å; G513-P619 CarbonylContact C-O 3.57Å; G513-P619 WeakPolarHBondContact CA-O 3.19Å; G513-S621 PolarHBondContact N-O 3.03Å
514	E	81.6	Confident	77.6	Confident	38 Å²	38	45.1 Å²	45.1	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-37.8	173.9	-71.6	175.1	156.2	0	0	112.6	I507 P510 S511 R517 Y518 R620	I507-E514 WeakPolarHBondContact CD1-OE1 3.16Å; P510-E514 HydrophobicContact CB-CB 4.03Å; S511-E514 PolarHBondContact N-OE2 2.96Å; S511-E514 VanDerWaalsContact N-OE2 3.08Å; S511-E514 WeakPolarHBondContact O-CA 3.37Å; S511-E514 WeakPolarHBondContact O-CB 3.23Å; S511-E514 PolarHBondContact O-N 2.91Å; S511-E514 WeakPolarHBondContact OG-CG 3.38Å; S511-E514 PolarHBondContact OG-N 3.31Å; E514-R517 WeakPolarHBondContact O-CB 3.42Å; E514-R517 PolarHBondContact O-N 3.12Å; E514-Y518 WeakPolarHBondContact O-CB 3.3Å; E514-Y518 PolarHBondContact O-N 3.32Å; E514-R620 HydrophobicContact CG-CB 3.65Å; E514-R620 HydrophobicContact CG-CG 3.72Å
515	L	83.6	Confident	78	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-46.6	176	-166.3	70.5	0	0	0	111.4	P408 M409 I456 Y500 P510 S511 R512 R517 Y518 A519	P408-L515 HydrophobicContact CB-CD2 3.81Å; M409-L515 WeakPolarHBondContact O-CD2 3.38Å; I456-L515 HydrophobicContact CB-CG 4.38Å; I456-L515 HydrophobicContact CG1-CD1 3.63Å; I456-L515 HydrophobicContact CG1-CD2 4.48Å; I456-L515 HydrophobicContact CG1-CG 3.76Å; I456-L515 HydrophobicContact CG2-CD2 4.08Å; I456-L515 HydrophobicContact CG2-CG 3.79Å; Y500-L515 HydrophobicContact CD2-CD1 3.85Å; Y500-L515 HydrophobicContact CG-CD1 3.94Å; P510-L515 HydrophobicContact CG-CD1 4.12Å; S511-L515 PolarHBondContact O-N 2.81Å; R512-L515 PolarHBondContact O-N 2.84Å; L515-R517 VanDerWaalsContact C-N 3.33Å; L515-R517 PolarHBondContact O-N 2.83Å; L515-Y518 PolarHBondContact O-N 3.2Å; L515-A519 PolarHBondContact O-N 2.93Å
516	I	85.8	Confident	78.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-45.2	173.6	-67.3	160	0	0	0	110.2	I406 P408 R512 Y518 A519 I520 I531 Y618	I406-I516 HydrophobicContact CG2-CG2 4.44Å; P408-I516 HydrophobicContact CB-CG1 4.05Å; P408-I516 HydrophobicContact CG-CD1 4.06Å; P408-I516 HydrophobicContact CG-CG1 3.83Å; R512-I516 WeakPolarHBondContact O-CD1 3.41Å; R512-I516 VanDerWaalsContact O-CG1 3.26Å; R512-I516 WeakPolarHBondContact O-CG1 3.36Å; R512-I516 PolarHBondContact O-N 2.94Å; I516-Y518 VanDerWaalsContact C-N 3.33Å; I516-Y518 PolarHBondContact O-N 2.93Å; I516-A519 PolarHBondContact O-N 2.75Å; I516-I520 HydrophobicContact CG2-CD1 3.63Å; I516-I520 HydrophobicContact CG2-CG1 4.35Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.1Å; I516-I520 PolarHBondContact O-N 3.39Å; I516-I531 HydrophobicContact CD1-CG2 3.74Å; I516-I531 HydrophobicContact CG1-CG2 4.33Å; I516-I531 HydrophobicContact CG2-CG1 4.09Å; I516-I531 HydrophobicContact CG2-CG2 4.5Å; I516-Y618 HydrophobicContact CB-CD1 3.9Å; I516-Y618 HydrophobicContact CB-CE1 3.96Å; I516-Y618 HydrophobicContact CB-CG 4.45Å; I516-Y618 HydrophobicContact CD1-CD1 4.46Å; I516-Y618 HydrophobicContact CD1-CE1 3.68Å; I516-Y618 HydrophobicContact CG1-CE1 4.46Å; I516-Y618 HydrophobicContact CG2-CD1 3.62Å; I516-Y618 HydrophobicContact CG2-CD2 3.92Å; I516-Y618 HydrophobicContact CG2-CE1 3.73Å; I516-Y618 HydrophobicContact CG2-CE2 4Å; I516-Y618 HydrophobicContact CG2-CG 3.73Å
517	R	87.1	Confident	79.5	Confident	50 Å²	50	39.2 Å²	39.2	19%	0.189	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-45	178.1	-174.4	-176.5	178.5	117.4	4.4	111.7	G513 E514 L515 A519 I520 D521 N616 Y618	G513-R517 VanDerWaalsContact O-CB 3.3Å; G513-R517 WeakPolarHBondContact O-CB 3.32Å; G513-R517 PolarHBondContact O-N 2.93Å; E514-R517 WeakPolarHBondContact O-CB 3.42Å; E514-R517 PolarHBondContact O-N 3.12Å; L515-R517 VanDerWaalsContact C-N 3.33Å; L515-R517 PolarHBondContact O-N 2.83Å; R517-A519 VanDerWaalsContact C-N 3.33Å; R517-A519 PolarHBondContact O-N 3.18Å; R517-I520 PolarHBondContact O-N 2.78Å; R517-D521 IonicContact NE-OD2 3.83Å; R517-D521 WeakPolarHBondContact O-CB 3.34Å; R517-D521 VanDerWaalsContact O-CG 3.32Å; R517-D521 PolarHBondContact O-N 3Å; R517-N616 VanDerWaalsContact CZ-O 3.26Å; R517-N616 PolarHBondContact NH1-O 2.99Å; R517-N616 PolarHBondContact NH2-O 2.97Å; R517-Y618 PolarHBondContact NH1-O 2.87Å
518	Y	85.2	Confident	80.5	Confident	16 Å²	16	37 Å²	37	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-44.6	176.8	179.7	-100.5	0	0	0	111.5	I456 Y500 V504 T505 E514 L515 I516 I520 D521 Q522 Y523	I456-Y518 HydrophobicContact CD1-CD1 3.96Å; I456-Y518 HydrophobicContact CD1-CE1 4.16Å; I456-Y518 HydrophobicContact CG1-CD1 4.49Å; Y500-Y518 AromaticContact CD2-CD1 3.74Å; Y500-Y518 HydrophobicContact CD2-CD1 3.74Å; Y500-Y518 HydrophobicContact CD2-CD2 4.28Å; Y500-Y518 HydrophobicContact CD2-CE1 4.18Å; Y500-Y518 AromaticContact CD2-CG 3.79Å; Y500-Y518 HydrophobicContact CD2-CG 3.79Å; Y500-Y518 HydrophobicContact CE2-CD1 4.37Å; Y500-Y518 HydrophobicContact CE2-CD2 4.15Å; Y500-Y518 AromaticContact CE2-CG 3.95Å; Y500-Y518 HydrophobicContact CE2-CG 3.95Å; V504-Y518 HydrophobicContact CB-CE2 3.99Å; V504-Y518 HydrophobicContact CG1-CE2 3.97Å; V504-Y518 HydrophobicContact CG2-CE2 4.39Å; T505-Y518 HydrophobicContact CG2-CD2 3.87Å; T505-Y518 HydrophobicContact CG2-CE2 4.33Å; E514-Y518 WeakPolarHBondContact O-CB 3.3Å; E514-Y518 PolarHBondContact O-N 3.32Å; L515-Y518 PolarHBondContact O-N 3.2Å; I516-Y518 VanDerWaalsContact C-N 3.33Å; I516-Y518 PolarHBondContact O-N 2.93Å; Y518-I520 VanDerWaalsContact C-N 3.35Å; Y518-I520 PolarHBondContact O-N 3.01Å; Y518-D521 PolarHBondContact O-N 3.4Å; Y518-Q522 HydrophobicContact CD2-CG 4Å; Y518-Q522 HydrophobicContact CE1-CG 4.5Å; Y518-Q522 HydrophobicContact CE2-CG 3.73Å; Y518-Q522 HydrophobicContact CG-CG 4.49Å; Y518-Q522 WeakPolarHBondContact O-CB 3.44Å; Y518-Q522 WeakPolarHBondContact O-CG 3.33Å; Y518-Q522 PolarHBondContact O-N 3.44Å; Y518-Y523 HydrophobicContact CD1-CE2 4.17Å; Y518-Y523 AromaticContact CE1-CE2 3.67Å; Y518-Y523 HydrophobicContact CE1-CE2 3.67Å; Y518-Y523 PolarHBondContact OH-OH 2.72Å
519	A	86.1	Confident	82	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-40.2	176.9	0	0	0	0	0	113	I406 I454 I456 L515 I516 R517 Y523 A524	I406-A519 HydrophobicContact CG2-CB 3.91Å; I454-A519 HydrophobicContact CG2-CB 4.25Å; I456-A519 HydrophobicContact CB-CB 4.04Å; I456-A519 HydrophobicContact CG1-CB 4.31Å; I456-A519 HydrophobicContact CG2-CB 3.91Å; L515-A519 PolarHBondContact O-N 2.93Å; I516-A519 PolarHBondContact O-N 2.75Å; R517-A519 VanDerWaalsContact C-N 3.33Å; R517-A519 PolarHBondContact O-N 3.18Å; A519-Y523 PolarHBondContact O-N 3.17Å; A519-A524 PolarHBondContact O-N 2.84Å
520	I	86.6	Confident	83	Confident	17 Å²	17	26 Å²	26	9%	0.087	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-45.7	177	-67.3	165.9	0	0	0	111.3	I406 I516 R517 Y518 L529 L612 Y618	I406-I520 HydrophobicContact CD1-CB 4.39Å; I406-I520 HydrophobicContact CD1-CD1 4.03Å; I406-I520 HydrophobicContact CD1-CG1 3.2Å; I516-I520 HydrophobicContact CG2-CD1 3.63Å; I516-I520 HydrophobicContact CG2-CG1 4.35Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.1Å; I516-I520 PolarHBondContact O-N 3.39Å; R517-I520 PolarHBondContact O-N 2.78Å; Y518-I520 VanDerWaalsContact C-N 3.35Å; Y518-I520 PolarHBondContact O-N 3.01Å; I520-L529 HydrophobicContact CD1-CD1 4.39Å; I520-L529 HydrophobicContact CG1-CD1 4.28Å; I520-L529 HydrophobicContact CG2-CD1 3.94Å; I520-L612 HydrophobicContact CD1-CD1 3.7Å; I520-L612 HydrophobicContact CG2-CD1 4.17Å; I520-Y618 HydrophobicContact CD1-CD2 3.86Å; I520-Y618 HydrophobicContact CD1-CG 4.05Å
521	D	83.7	Confident	83.8	Confident	93 Å²	93	26 Å²	26	50%	0.497	13%	0.128	S	C	.	.	H	α-helix	trans	-73.5	-28.3	-173.4	-70.6	-16.3	0	0	0	112	R517 Y518	R517-D521 IonicContact NE-OD2 3.83Å; R517-D521 WeakPolarHBondContact O-CB 3.34Å; R517-D521 VanDerWaalsContact O-CG 3.32Å; R517-D521 PolarHBondContact O-N 3Å; Y518-D521 PolarHBondContact O-N 3.4Å
522	Q	82.9	Confident	84.4	Confident	108 Å²	108	25.6 Å²	25.6	51%	0.505	13%	0.125	S	C	.	.	H	α-helix	trans	-104.3	-34.3	-174.7	-62.7	-60.4	-41.9	0	0	115.2	Y518	Y518-Q522 HydrophobicContact CD2-CG 4Å; Y518-Q522 HydrophobicContact CE1-CG 4.5Å; Y518-Q522 HydrophobicContact CE2-CG 3.73Å; Y518-Q522 HydrophobicContact CG-CG 4.49Å; Y518-Q522 WeakPolarHBondContact O-CB 3.44Å; Y518-Q522 WeakPolarHBondContact O-CG 3.33Å; Y518-Q522 PolarHBondContact O-N 3.44Å
523	Y	84.1	Confident	84.5	Confident	49 Å²	49	25.4 Å²	25.4	19%	0.192	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-27.8	-165.2	-53.3	-58.8	0	0	0	114.4	I456 Y498 Y518 A519 N525	I456-Y523 HydrophobicContact CD1-CE2 4.24Å; Y498-Y523 AromaticContact CD1-CD1 3.7Å; Y498-Y523 HydrophobicContact CD1-CD1 3.7Å; Y498-Y523 HydrophobicContact CD1-CD2 4.19Å; Y498-Y523 AromaticContact CD1-CE1 3.38Å; Y498-Y523 HydrophobicContact CD1-CE1 3.38Å; Y498-Y523 AromaticContact CD1-CE2 3.92Å; Y498-Y523 HydrophobicContact CD1-CE2 3.92Å; Y498-Y523 HydrophobicContact CD1-CG 4.11Å; Y498-Y523 AromaticContact CD1-CZ 3.51Å; Y498-Y523 HydrophobicContact CD2-CD1 4.3Å; Y498-Y523 AromaticContact CD2-CD2 3.93Å; Y498-Y523 HydrophobicContact CD2-CD2 3.93Å; Y498-Y523 HydrophobicContact CD2-CE2 4.32Å; Y498-Y523 AromaticContact CD2-CG 3.94Å; Y498-Y523 HydrophobicContact CD2-CG 3.94Å; Y498-Y523 AromaticContact CE1-CD1 3.51Å; Y498-Y523 HydrophobicContact CE1-CD1 3.51Å; Y498-Y523 AromaticContact CE1-CE1 3.51Å; Y498-Y523 HydrophobicContact CE1-CE1 3.51Å; Y498-Y523 HydrophobicContact CE1-CG 4.13Å; Y498-Y523 HydrophobicContact CE2-CD1 4.11Å; Y498-Y523 HydrophobicContact CE2-CD2 4.4Å; Y498-Y523 AromaticContact CE2-CG 3.94Å; Y498-Y523 HydrophobicContact CE2-CG 3.94Å; Y498-Y523 HydrophobicContact CG-CD1 4.08Å; Y498-Y523 AromaticContact CG-CD2 3.78Å; Y498-Y523 HydrophobicContact CG-CD2 3.78Å; Y498-Y523 AromaticContact CG-CE1 3.99Å; Y498-Y523 HydrophobicContact CG-CE1 3.99Å; Y498-Y523 AromaticContact CG-CE2 3.69Å; Y498-Y523 HydrophobicContact CG-CE2 3.69Å; Y498-Y523 AromaticContact CG-CG 4Å; Y498-Y523 HydrophobicContact CG-CG 4Å; Y498-Y523 AromaticContact CG-CZ 3.8Å; Y498-Y523 AromaticContact CZ-CD1 3.71Å; Y518-Y523 HydrophobicContact CD1-CE2 4.17Å; Y518-Y523 AromaticContact CE1-CE2 3.67Å; Y518-Y523 HydrophobicContact CE1-CE2 3.67Å; Y518-Y523 PolarHBondContact OH-OH 2.72Å; A519-Y523 PolarHBondContact O-N 3.17Å; Y523-N525 PolarHBondContact O-N 3.47Å; Y523-N525 PolarHBondContact O-ND2 2.68Å
524	A	83.1	Confident	84.4	Confident	16 Å²	16	25.7 Å²	25.7	13%	0.132	13%	0.126	C	C	.	.			trans	-74.2	117.4	-170.7	0	0	0	0	0	113.4	T404 I406 I454 A519 L529	T404-A524 HydrophobicContact CG2-CB 3.88Å; I406-A524 HydrophobicContact CD1-CB 4.34Å; I454-A524 HydrophobicContact CD1-CB 4.23Å; A519-A524 PolarHBondContact O-N 2.84Å; A524-L529 HydrophobicContact CB-CD2 3.81Å
525	N	78	Confident	84.1	Confident	111 Å²	111	24.1 Å²	24.1	59%	0.594	12%	0.121	S	C	*	.			trans	-104.6	-6.2	-179.5	-61.9	-50.7	0	0	0	113.8	E452 Y523	E452-N525 PolarHBondContact OE1-ND2 2.92Å; E452-N525 PolarHBondContact OE2-N 3.32Å; Y523-N525 PolarHBondContact O-N 3.47Å; Y523-N525 PolarHBondContact O-ND2 2.68Å
526	G	78.3	Confident	84	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.01	12%	0.12	C	C	.	.			trans	-67.3	142.7	-178.3	0	0	0	0	0	113.8	S402 T404 M528 S609	S402-G526 WeakPolarHBondContact OG-CA 3.32Å; T404-G526 WeakPolarHBondContact OG1-CA 3.45Å; T404-G526 PolarHBondContact OG1-N 3.14Å; G526-M528 VanDerWaalsContact C-N 3.25Å; G526-S609 WeakPolarHBondContact O-CB 3.25Å
527	S	78.3	Confident	83.9	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.014	13%	0.126	C	C	.	.	S	Bend	trans	-69.8	-28.1	168.2	65.7	0	0	0	0	111.8	N397 N400 S402 Y608 S609	N397-S527 VanDerWaalsContact O-CB 3.29Å; N397-S527 WeakPolarHBondContact O-CB 3.37Å; N400-S527 WeakPolarHBondContact O-CB 3.12Å; N400-S527 PolarHBondContact O-OG 2.99Å; S402-S527 PolarHBondContact O-N 3.08Å; S402-S527 PolarHBondContact O-OG 3.46Å; S402-S527 PolarHBondContact OG-N 3.31Å; S527-Y608 WeakPolarHBondContact O-CA 3.38Å; S527-S609 PolarHBondContact O-N 3.07Å
528	M	87.3	Confident	83.8	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.6	174.6	-51.7	-175.1	-158.9	0	0	110	S402 V403 T404 G526 V546 Y547 L550 Y608	S402-M528 PolarHBondContact O-N 2.92Å; S402-M528 VanDerWaalsContact O-N 3.14Å; V403-M528 CarbonylContact C-O 3.49Å; V403-M528 WeakPolarHBondContact CA-O 3.35Å; V403-M528 HydrophobicContact CG1-CB 4.37Å; V403-M528 HydrophobicContact CG2-CB 4.27Å; T404-M528 PolarHBondContact N-O 2.98Å; G526-M528 VanDerWaalsContact C-N 3.25Å; M528-V546 HydrophobicContact CB-CG1 4.4Å; M528-V546 HydrophobicContact SD-CG1 4.08Å; M528-Y547 HydrophobicContact CE-CD2 3.27Å; M528-Y547 HydrophobicContact CE-CE2 3.84Å; M528-Y547 HydrophobicContact CE-CG 4.26Å; M528-Y547 HydrophobicContact SD-CD2 4.21Å; M528-L550 HydrophobicContact CB-CD1 4.26Å; M528-L550 HydrophobicContact CG-CD1 4.06Å; M528-L550 HydrophobicContact SD-CD1 4.01Å; M528-Y608 HydrophobicContact CE-CE1 3.75Å; M528-Y608 HydrophobicContact CG-CD1 3.85Å; M528-Y608 HydrophobicContact CG-CE1 3.77Å; M528-Y608 HydrophobicContact SD-CE1 4.08Å
529	L	91	Very high	83.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.2	179.6	-57.4	174.5	0	0	0	108.8	T404 I520 A524 F606 I607 L612	T404-L529 CarbonylContact O-C 3.56Å; T404-L529 WeakPolarHBondContact O-CA 3.33Å; I520-L529 HydrophobicContact CD1-CD1 4.39Å; I520-L529 HydrophobicContact CG1-CD1 4.28Å; I520-L529 HydrophobicContact CG2-CD1 3.94Å; A524-L529 HydrophobicContact CB-CD2 3.81Å; L529-F606 CarbonylContact O-C 3.6Å; L529-F606 WeakPolarHBondContact O-CA 3.48Å; L529-F606 VanDerWaalsContact O-CB 3.3Å; L529-F606 WeakPolarHBondContact O-CB 3.35Å; L529-I607 HydrophobicContact CB-CG2 4.38Å; L529-I607 PolarHBondContact N-O 2.82Å; L529-I607 PolarHBondContact O-N 2.9Å; L529-L612 HydrophobicContact CD1-CD1 3.39Å; L529-L612 HydrophobicContact CD1-CG 4.31Å
530	V	91.8	Very high	83.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.8	176	-176.4	0	0	0	0	108.3	V403 T404 V405 I406 L532 W542 V546 F560 F606	V403-V530 HydrophobicContact CG1-CG2 3.59Å; T404-V530 PolarHBondContact O-N 3.19Å; V405-V530 CarbonylContact C-O 3.56Å; V405-V530 WeakPolarHBondContact CA-O 3.06Å; V405-V530 HydrophobicContact CG2-CB 4.32Å; I406-V530 PolarHBondContact N-O 3.39Å; V530-L532 HydrophobicContact CG1-CD2 3.67Å; V530-L532 HydrophobicContact CG1-CG 3.99Å; V530-W542 HydrophobicContact CG2-CZ3 3.95Å; V530-V546 HydrophobicContact CG2-CG1 4.27Å; V530-V546 HydrophobicContact CG2-CG2 4.06Å; V530-F560 HydrophobicContact CG1-CE2 4.13Å; V530-F606 HydrophobicContact CB-CB 4.4Å; V530-F606 HydrophobicContact CG2-CB 3.85Å
531	I	91.5	Very high	83.4	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.3	178.5	-58.9	90.2	0	0	0	108	I516 H605 Y618	I516-I531 HydrophobicContact CD1-CG2 3.74Å; I516-I531 HydrophobicContact CG1-CG2 4.33Å; I516-I531 HydrophobicContact CG2-CG1 4.09Å; I516-I531 HydrophobicContact CG2-CG2 4.5Å; I531-H605 PolarHBondContact N-O 3.37Å; I531-H605 PolarHBondContact O-N 3.38Å; I531-Y618 HydrophobicContact CD1-CD2 4.39Å; I531-Y618 HydrophobicContact CD1-CE2 3.71Å; I531-Y618 HydrophobicContact CG1-CE2 3.8Å
532	L	88.1	Confident	83.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.139	C	C	.	.			trans	-125.2	145.9	-179.7	-53.7	177	0	0	0	109.9	V405 I406 I407 P408 T437 V441 V530 V536 L538 P604	V405-L532 HydrophobicContact CG1-CD1 3.32Å; V405-L532 HydrophobicContact CG1-CG 3.89Å; I406-L532 PolarHBondContact O-N 3.01Å; I406-L532 VanDerWaalsContact O-N 3.12Å; I407-L532 HydrophobicContact CG1-CB 4.43Å; P408-L532 VanDerWaalsContact CD-O 3.3Å; P408-L532 WeakPolarHBondContact CD-O 3.37Å; T437-L532 HydrophobicContact CG2-CD1 4.48Å; V441-L532 HydrophobicContact CG2-CD1 3.91Å; V530-L532 HydrophobicContact CG1-CD2 3.67Å; V530-L532 HydrophobicContact CG1-CG 3.99Å; L532-V536 HydrophobicContact CD2-CG1 4.49Å; L532-L538 HydrophobicContact CD1-CD1 3.72Å; L532-L538 HydrophobicContact CD1-CG 4.09Å; L532-L538 HydrophobicContact CD2-CD1 4.26Å; L532-L538 HydrophobicContact CD2-CD2 3.75Å; L532-L538 HydrophobicContact CD2-CG 4.23Å; L532-P604 HydrophobicContact CD2-CB 3.39Å; L532-P604 HydrophobicContact CD2-CG 4.49Å
533	E	81.3	Confident	83.7	Confident	19 Å²	19	20.9 Å²	20.9	9%	0.089	12%	0.115	C	C	.	.			trans	-88.1	149.3	161.4	-61.5	-155.3	142.7	0	0	109.6	R512 V536 R623	R512-E533 IonicContact CZ-OE1 3.17Å; R512-E533 VanDerWaalsContact NH1-CD 3.32Å; R512-E533 IonicContact NH1-OE1 2.77Å; R512-E533 PolarHBondContact NH1-OE1 2.86Å; R512-E533 IonicContact NH1-OE2 2.55Å; E533-V536 HydrophobicContact CB-CG2 4.13Å; E533-V536 VanDerWaalsContact O-CB 3.27Å; E533-V536 WeakPolarHBondContact O-CB 3.39Å; E533-V536 VanDerWaalsContact O-CG2 3.24Å; E533-V536 WeakPolarHBondContact O-CG2 3.46Å; E533-V536 PolarHBondContact O-N 2.89Å; E533-R623 WeakPolarHBondContact OE1-CG 3.31Å; E533-R623 IonicContact OE1-CZ 2.95Å; E533-R623 IonicContact OE1-NE 3.86Å; E533-R623 PolarHBondContact OE1-NE 2.97Å; E533-R623 IonicContact OE1-NH2 2.66Å; E533-R623 IonicContact OE2-CZ 3.57Å; E533-R623 IonicContact OE2-NE 3.96Å; E533-R623 PolarHBondContact OE2-NE 3.15Å; E533-R623 IonicContact OE2-NH2 3.17Å; E533-R623 PolarHBondContact OE2-NH2 3.06Å
534	P	77.6	Confident	83.6	Confident	6 Å²	6	19.1 Å²	19.1	4%	0.039	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	145.9	169.7	28.9	-39.5	0	0	0	111.2	I407 M409 L425 L434 V536	I407-P534 HydrophobicContact CG2-CB 4.39Å; M409-P534 HydrophobicContact SD-CB 3.81Å; M409-P534 HydrophobicContact SD-CG 3.7Å; L425-P534 HydrophobicContact CD2-CB 4.15Å; L425-P534 HydrophobicContact CD2-CG 3.21Å; L434-P534 HydrophobicContact CB-CB 4.41Å; L434-P534 HydrophobicContact CD1-CB 4.46Å; P534-V536 VanDerWaalsContact C-N 3.28Å
535	G	75.2	Confident	83.6	Confident	6 Å²	6	19.3 Å²	19.3	6%	0.062	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-12.8	-171.9	0	0	0	0	0	114.2	S433 T437	S433-G535 PolarHBondContact O-N 3.28Å; T437-G535 WeakPolarHBondContact OG1-CA 3.25Å; T437-G535 PolarHBondContact OG1-N 2.99Å
536	V	81.7	Confident	83.9	Confident	1 Å²	1	14 Å²	14	1%	0.006	8%	0.083	C	C	.	.			trans	-71.6	133.7	175.8	175.3	0	0	0	0	110.8	T437 L532 E533 P534 P604 A651 G652	T437-V536 WeakPolarHBondContact CG2-O 3.3Å; T437-V536 PolarHBondContact OG1-N 3.18Å; T437-V536 PolarHBondContact OG1-O 2.84Å; L532-V536 HydrophobicContact CD2-CG1 4.49Å; E533-V536 HydrophobicContact CB-CG2 4.13Å; E533-V536 VanDerWaalsContact O-CB 3.27Å; E533-V536 WeakPolarHBondContact O-CB 3.39Å; E533-V536 VanDerWaalsContact O-CG2 3.24Å; E533-V536 WeakPolarHBondContact O-CG2 3.46Å; E533-V536 PolarHBondContact O-N 2.89Å; P534-V536 VanDerWaalsContact C-N 3.28Å; V536-P604 HydrophobicContact CG1-CB 4.15Å; V536-P604 HydrophobicContact CG1-CG 3.8Å; V536-A651 HydrophobicContact CG1-CB 4.16Å; V536-G652 CarbonylContact C-O 3.46Å; V536-G652 VanDerWaalsContact CA-O 3.29Å; V536-G652 WeakPolarHBondContact CA-O 3.22Å
537	Q	83.1	Confident	84	Confident	28 Å²	28	15.2 Å²	15.2	13%	0.131	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-100.7	114.3	178	-51.1	-166.1	-25.6	0	0	110.5	Y436 L440 H565 A651 G652	Y436-Q537 HydrophobicContact CD1-CG 4.46Å; Y436-Q537 HydrophobicContact CE1-CG 3.77Å; Y436-Q537 PolarHBondContact OH-NE2 3.29Å; L440-Q537 HydrophobicContact CD1-CB 3.49Å; L440-Q537 VanDerWaalsContact CD1-CB 3.49Å; L440-Q537 HydrophobicContact CD1-CG 3.67Å; Q537-H565 VanDerWaalsContact CD-CG 3.43Å; Q537-H565 PolarHBondContact NE2-CD2 3.04Å; Q537-H565 PolarHBondContact NE2-CE1 2.82Å; Q537-H565 VanDerWaalsContact NE2-CG 3.31Å; Q537-H565 PolarHBondContact NE2-ND1 3.4Å; Q537-H565 VanDerWaalsContact NE2-ND1 3.13Å; Q537-H565 PolarHBondContact NE2-NE2 3.5Å; Q537-H565 PolarHBondContact OE1-CD2 2.81Å; Q537-H565 PolarHBondContact OE1-NE2 3.48Å; Q537-A651 CarbonylContact O-C 3.38Å; Q537-A651 WeakPolarHBondContact O-CA 3.21Å; Q537-G652 PolarHBondContact N-O 3Å; Q537-G652 PolarHBondContact O-N 3.48Å
538	L	85.1	Confident	83.9	Confident	4 Å²	4	20 Å²	20	2%	0.021	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-81	143.2	174.3	-72.3	-171.9	0	0	0	112	V441 N444 L532 W542 F560 A651	V441-L538 HydrophobicContact CG2-CD1 3.92Å; V441-L538 HydrophobicContact CG2-CG 4.45Å; N444-L538 PolarHBondContact ND2-O 3.5Å; L532-L538 HydrophobicContact CD1-CD1 3.72Å; L532-L538 HydrophobicContact CD1-CG 4.09Å; L532-L538 HydrophobicContact CD2-CD1 4.26Å; L532-L538 HydrophobicContact CD2-CD2 3.75Å; L532-L538 HydrophobicContact CD2-CG 4.23Å; L538-W542 HydrophobicContact CB-CB 4.02Å; L538-W542 HydrophobicContact CB-CG 3.87Å; L538-W542 HydrophobicContact CD1-CB 4.2Å; L538-W542 HydrophobicContact CD1-CD2 3.43Å; L538-W542 VanDerWaalsContact CD1-CD2 3.43Å; L538-W542 HydrophobicContact CD1-CE3 3.81Å; L538-W542 HydrophobicContact CD1-CG 3.6Å; L538-W542 HydrophobicContact CD1-CZ2 4.32Å; L538-W542 HydrophobicContact CD1-CZ3 4.42Å; L538-W542 HydrophobicContact CG-CG 4.32Å; L538-F560 HydrophobicContact CD2-CD2 4.17Å; L538-F560 HydrophobicContact CD2-CE1 4.38Å; L538-F560 HydrophobicContact CD2-CE2 3.83Å; L538-F560 HydrophobicContact CD2-CZ 3.93Å; L538-A651 HydrophobicContact CD2-CB 4.37Å
539	P	84.1	Confident	83.3	Confident	11 Å²	11	20.2 Å²	20.2	7%	0.071	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-68.9	164.1	176.8	29.4	-36.6	0	0	0	112.9	N444 N541 W542 F560 T648	N444-P539 WeakPolarHBondContact CB-O 3.24Å; P539-N541 PolarHBondContact O-N 2.92Å; P539-W542 HydrophobicContact CG-CB 3.97Å; P539-W542 VanDerWaalsContact O-CB 3.31Å; P539-W542 WeakPolarHBondContact O-CB 3.4Å; P539-W542 PolarHBondContact O-N 2.8Å; P539-F560 HydrophobicContact CG-CD1 4.16Å; P539-F560 HydrophobicContact CG-CE1 4.2Å; P539-T648 WeakPolarHBondContact CB-O 3.29Å
540	V	82.5	Confident	82.6	Confident	97 Å²	97	20.2 Å²	20.2	59%	0.588	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	132.7	171	-174.5	0	0	0	0	110.6	W542	V540-W542 VanDerWaalsContact C-N 3.32Å
541	N	82.9	Confident	81.5	Confident	81 Å²	81	22.7 Å²	22.7	43%	0.433	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	36	-175.8	-56	-39.4	0	0	0	113.7	N444 S446 P539 D543 S544 A545	N444-N541 WeakPolarHBondContact O-CA 3.45Å; N444-N541 PolarHBondContact O-N 3.27Å; S446-N541 WeakPolarHBondContact CA-OD1 3.31Å; S446-N541 WeakPolarHBondContact CB-OD1 3.35Å; P539-N541 PolarHBondContact O-N 2.92Å; N541-D543 PolarHBondContact O-N 2.95Å; N541-S544 PolarHBondContact O-N 2.92Å; N541-A545 PolarHBondContact O-N 3.43Å
542	W	87	Confident	80	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-37.3	-178.9	64.3	-95.2	0	0	0	112.9	V403 V405 V441 I451 V530 L538 P539 V540 S544 A545 V546 F560	V403-W542 HydrophobicContact CG1-CH2 3.94Å; V403-W542 HydrophobicContact CG1-CZ3 3.78Å; V405-W542 HydrophobicContact CG2-CH2 3.4Å; V405-W542 HydrophobicContact CG2-CZ2 4.04Å; V405-W542 HydrophobicContact CG2-CZ3 4.11Å; V441-W542 HydrophobicContact CG1-CZ2 3.85Å; V441-W542 PolarHBondContact O-NE1 2.75Å; I451-W542 HydrophobicContact CD1-CH2 4.24Å; I451-W542 HydrophobicContact CD1-CZ2 3.8Å; I451-W542 HydrophobicContact CG1-CH2 4.42Å; I451-W542 HydrophobicContact CG1-CZ2 4.42Å; I451-W542 HydrophobicContact CG2-CH2 4.08Å; I451-W542 HydrophobicContact CG2-CZ2 4.07Å; V530-W542 HydrophobicContact CG2-CZ3 3.95Å; L538-W542 HydrophobicContact CB-CB 4.02Å; L538-W542 HydrophobicContact CB-CG 3.87Å; L538-W542 HydrophobicContact CD1-CB 4.2Å; L538-W542 HydrophobicContact CD1-CD2 3.43Å; L538-W542 VanDerWaalsContact CD1-CD2 3.43Å; L538-W542 HydrophobicContact CD1-CE3 3.81Å; L538-W542 HydrophobicContact CD1-CG 3.6Å; L538-W542 HydrophobicContact CD1-CZ2 4.32Å; L538-W542 HydrophobicContact CD1-CZ3 4.42Å; L538-W542 HydrophobicContact CG-CG 4.32Å; P539-W542 HydrophobicContact CG-CB 3.97Å; P539-W542 VanDerWaalsContact O-CB 3.31Å; P539-W542 WeakPolarHBondContact O-CB 3.4Å; P539-W542 PolarHBondContact O-N 2.8Å; V540-W542 VanDerWaalsContact C-N 3.32Å; W542-S544 VanDerWaalsContact C-N 3.34Å; W542-S544 PolarHBondContact O-N 2.93Å; W542-A545 CarbonylContact O-C 3.59Å; W542-A545 WeakPolarHBondContact O-CA 3.39Å; W542-A545 WeakPolarHBondContact O-CB 3.42Å; W542-A545 PolarHBondContact O-N 3.37Å; W542-A545 VanDerWaalsContact O-N 3.08Å; W542-V546 HydrophobicContact CE3-CG2 4.11Å; W542-V546 HydrophobicContact CZ3-CG2 4.47Å; W542-V546 WeakPolarHBondContact O-CG2 3.49Å; W542-V546 PolarHBondContact O-N 2.95Å; W542-F560 HydrophobicContact CB-CE1 4.01Å; W542-F560 HydrophobicContact CB-CZ 4.18Å; W542-F560 HydrophobicContact CE3-CZ 4.37Å
543	D	86.1	Confident	78.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-39.5	-179.3	65.6	-53.9	0	0	0	111.4	S446 R449 I451 N541 V546 Y547	S446-D543 WeakPolarHBondContact CB-OD1 3.15Å; S446-D543 WeakPolarHBondContact CB-OD2 3.27Å; S446-D543 PolarHBondContact N-OD1 3.3Å; S446-D543 VanDerWaalsContact OG-CG 3.22Å; S446-D543 PolarHBondContact OG-OD1 3.22Å; S446-D543 VanDerWaalsContact OG-OD1 3.11Å; S446-D543 PolarHBondContact OG-OD2 2.85Å; R449-D543 IonicContact NH1-OD2 3.99Å; R449-D543 PolarHBondContact NH1-OD2 3.47Å; I451-D543 HydrophobicContact CD1-CB 4.34Å; N541-D543 PolarHBondContact O-N 2.95Å; D543-V546 PolarHBondContact O-N 3.01Å; D543-Y547 WeakPolarHBondContact O-CB 3.19Å; D543-Y547 PolarHBondContact O-N 2.92Å
544	S	81.5	Confident	77.2	Confident	12 Å²	12	24.7 Å²	24.7	8%	0.084	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-37	172	-70.3	0	0	0	0	111.4	S446 R449 N541 W542 Y547 Y548	S446-S544 PolarHBondContact OG-OG 2.97Å; R449-S544 PolarHBondContact NH1-OG 3.44Å; R449-S544 VanDerWaalsContact NH1-OG 3.11Å; N541-S544 PolarHBondContact O-N 2.92Å; W542-S544 VanDerWaalsContact C-N 3.34Å; W542-S544 PolarHBondContact O-N 2.93Å; S544-Y547 PolarHBondContact O-N 3.36Å; S544-Y548 WeakPolarHBondContact O-CB 3.15Å; S544-Y548 WeakPolarHBondContact O-CD2 3.39Å; S544-Y548 PolarHBondContact O-N 3Å
545	A	82.7	Confident	76.6	Confident	20 Å²	20	24.4 Å²	24.4	17%	0.165	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-38.9	175.1	0	0	0	0	0	112.4	N541 W542 T549	N541-A545 PolarHBondContact O-N 3.43Å; W542-A545 CarbonylContact O-C 3.59Å; W542-A545 WeakPolarHBondContact O-CA 3.39Å; W542-A545 WeakPolarHBondContact O-CB 3.42Å; W542-A545 PolarHBondContact O-N 3.37Å; W542-A545 VanDerWaalsContact O-N 3.08Å; A545-T549 VanDerWaalsContact O-CB 3.22Å; A545-T549 WeakPolarHBondContact O-CB 3.23Å; A545-T549 PolarHBondContact O-N 3.25Å; A545-T549 VanDerWaalsContact O-N 3.08Å; A545-T549 PolarHBondContact O-OG1 3.27Å
546	V	84.9	Confident	76.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-54.5	172.7	169.5	0	0	0	0	109.8	M528 V530 W542 D543 Y548 T549 L550 F560 F606	M528-V546 HydrophobicContact CB-CG1 4.4Å; M528-V546 HydrophobicContact SD-CG1 4.08Å; V530-V546 HydrophobicContact CG2-CG1 4.27Å; V530-V546 HydrophobicContact CG2-CG2 4.06Å; W542-V546 HydrophobicContact CE3-CG2 4.11Å; W542-V546 HydrophobicContact CZ3-CG2 4.47Å; W542-V546 WeakPolarHBondContact O-CG2 3.49Å; W542-V546 PolarHBondContact O-N 2.95Å; D543-V546 PolarHBondContact O-N 3.01Å; V546-Y548 PolarHBondContact O-N 3.48Å; V546-T549 PolarHBondContact O-N 2.97Å; V546-T549 VanDerWaalsContact O-N 3.14Å; V546-L550 HydrophobicContact CG1-CD1 3.96Å; V546-L550 HydrophobicContact CG1-CG 4.5Å; V546-L550 PolarHBondContact O-N 2.62Å; V546-F560 HydrophobicContact CG2-CE1 4.16Å; V546-F560 HydrophobicContact CG2-CE2 4.13Å; V546-F560 HydrophobicContact CG2-CZ 3.44Å; V546-F560 VanDerWaalsContact CG2-CZ 3.44Å; V546-F606 HydrophobicContact CB-CD2 4.27Å; V546-F606 HydrophobicContact CB-CE2 4.4Å; V546-F606 HydrophobicContact CB-CG 4.36Å; V546-F606 HydrophobicContact CG1-CB 4.09Å; V546-F606 HydrophobicContact CG1-CD2 3.69Å; V546-F606 HydrophobicContact CG1-CE2 4.21Å; V546-F606 HydrophobicContact CG1-CG 3.91Å; V546-F606 HydrophobicContact CG2-CB 4.34Å; V546-F606 HydrophobicContact CG2-CD1 3.78Å; V546-F606 HydrophobicContact CG2-CD2 4.25Å; V546-F606 HydrophobicContact CG2-CE1 4.05Å; V546-F606 HydrophobicContact CG2-CE2 4.48Å; V546-F606 HydrophobicContact CG2-CG 3.88Å; V546-F606 HydrophobicContact CG2-CZ 4.38Å
547	Y	80	Confident	76.4	Confident	26 Å²	26	24 Å²	24	10%	0.102	12%	0.122	C	C	.	.	H	α-helix	trans	-53.5	-57.1	179.7	-177.8	-95.5	0	0	0	111.9	R449 M528 D543 S544 T549 L550 Q551	R449-Y547 VanDerWaalsContact CZ-CG 3.46Å; R449-Y547 VanDerWaalsContact NE-CD2 3.28Å; R449-Y547 VanDerWaalsContact NH2-CD2 3.29Å; M528-Y547 HydrophobicContact CE-CD2 3.27Å; M528-Y547 HydrophobicContact CE-CE2 3.84Å; M528-Y547 HydrophobicContact CE-CG 4.26Å; M528-Y547 HydrophobicContact SD-CD2 4.21Å; D543-Y547 WeakPolarHBondContact O-CB 3.19Å; D543-Y547 PolarHBondContact O-N 2.92Å; S544-Y547 PolarHBondContact O-N 3.36Å; Y547-T549 PolarHBondContact O-N 2.82Å; Y547-L550 PolarHBondContact O-N 3.42Å; Y547-Q551 HydrophobicContact CD1-CG 4.17Å; Y547-Q551 VanDerWaalsContact CD1-OE1 3.32Å; Y547-Q551 HydrophobicContact CE1-CG 4.06Å; Y547-Q551 VanDerWaalsContact CZ-CD 3.46Å; Y547-Q551 WeakPolarHBondContact O-CB 3.27Å; Y547-Q551 VanDerWaalsContact O-CG 3.25Å; Y547-Q551 WeakPolarHBondContact O-CG 3.19Å; Y547-Q551 PolarHBondContact O-N 3.39Å; Y547-Q551 PolarHBondContact OH-NE2 2.83Å
548	Y	76	Confident	76.5	Confident	103 Å²	103	22.7 Å²	22.7	40%	0.404	12%	0.116	S	C	.	.	H	α-helix	trans	-67.4	-20	-178	-68.4	-55.2	0	0	0	113.7	S544 V546 R552	S544-Y548 WeakPolarHBondContact O-CB 3.15Å; S544-Y548 WeakPolarHBondContact O-CD2 3.39Å; S544-Y548 PolarHBondContact O-N 3Å; V546-Y548 PolarHBondContact O-N 3.48Å; Y548-R552 WeakPolarHBondContact O-CG 3.29Å
549	T	75.9	Confident	76.7	Confident	4 Å²	4	22.5 Å²	22.5	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-82.9	-44.4	175.9	-59.2	0	0	0	0	111	A545 V546 Y547 R552 F606 I642	A545-T549 VanDerWaalsContact O-CB 3.22Å; A545-T549 WeakPolarHBondContact O-CB 3.23Å; A545-T549 PolarHBondContact O-N 3.25Å; A545-T549 VanDerWaalsContact O-N 3.08Å; A545-T549 PolarHBondContact O-OG1 3.27Å; V546-T549 PolarHBondContact O-N 2.97Å; V546-T549 VanDerWaalsContact O-N 3.14Å; Y547-T549 PolarHBondContact O-N 2.82Å; T549-R552 VanDerWaalsContact O-CB 3.3Å; T549-R552 WeakPolarHBondContact O-CB 3.47Å; T549-R552 WeakPolarHBondContact O-CG 3.45Å; T549-R552 PolarHBondContact O-N 3.22Å; T549-F606 HydrophobicContact CG2-CE2 3.87Å; T549-F606 HydrophobicContact CG2-CZ 3.74Å; T549-I642 HydrophobicContact CG2-CB 4.39Å; T549-I642 HydrophobicContact CG2-CG2 4.17Å
550	L	75.6	Confident	76.8	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.1	-32.6	178.2	-72.1	-179.9	0	0	0	113	R97 M528 V546 Y547 R552 V555 F606 Y608	R97-L550 PolarHBondContact NH1-O 2.69Å; M528-L550 HydrophobicContact CB-CD1 4.26Å; M528-L550 HydrophobicContact CG-CD1 4.06Å; M528-L550 HydrophobicContact SD-CD1 4.01Å; V546-L550 HydrophobicContact CG1-CD1 3.96Å; V546-L550 HydrophobicContact CG1-CG 4.5Å; V546-L550 PolarHBondContact O-N 2.62Å; Y547-L550 PolarHBondContact O-N 3.42Å; L550-R552 PolarHBondContact O-N 2.92Å; L550-R552 VanDerWaalsContact O-N 3.12Å; L550-V555 HydrophobicContact CD2-CG1 4.25Å; L550-F606 HydrophobicContact CD1-CD2 3.9Å; L550-F606 HydrophobicContact CD2-CD2 3.71Å; L550-F606 HydrophobicContact CD2-CE2 3.97Å; L550-F606 HydrophobicContact CG-CD2 3.56Å; L550-F606 HydrophobicContact CG-CE2 3.74Å; L550-Y608 HydrophobicContact CB-CD2 4.28Å; L550-Y608 HydrophobicContact CB-CE1 4.09Å; L550-Y608 HydrophobicContact CB-CE2 3.55Å; L550-Y608 VanDerWaalsContact CB-CZ 3.41Å; L550-Y608 WeakPolarHBondContact CB-OH 3.38Å; L550-Y608 HydrophobicContact CD1-CD1 4.05Å; L550-Y608 HydrophobicContact CD1-CD2 4.4Å; L550-Y608 HydrophobicContact CD1-CE1 3.96Å; L550-Y608 HydrophobicContact CD1-CE2 4.35Å; L550-Y608 HydrophobicContact CD1-CG 4.25Å; L550-Y608 HydrophobicContact CG-CE2 4.36Å
551	Q	67.8	Low	76.7	Confident	53 Å²	53	18 Å²	18	25%	0.248	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.5	172.3	-80.7	-170.2	-39.5	0	0	113.3	S93 Y547 Y608	S93-Q551 PolarHBondContact OG-NE2 2.81Å; Y547-Q551 HydrophobicContact CD1-CG 4.17Å; Y547-Q551 VanDerWaalsContact CD1-OE1 3.32Å; Y547-Q551 HydrophobicContact CE1-CG 4.06Å; Y547-Q551 VanDerWaalsContact CZ-CD 3.46Å; Y547-Q551 WeakPolarHBondContact O-CB 3.27Å; Y547-Q551 VanDerWaalsContact O-CG 3.25Å; Y547-Q551 WeakPolarHBondContact O-CG 3.19Å; Y547-Q551 PolarHBondContact O-N 3.39Å; Y547-Q551 PolarHBondContact OH-NE2 2.83Å; Q551-Y608 PolarHBondContact N-OH 3.2Å
552	R	61.2	Low	76.5	Confident	47 Å²	47	14.7 Å²	14.7	18%	0.177	7%	0.07	C	C	.	.	S	Bend	trans	-66.2	137.1	-178	-69.4	175.6	-174.6	169	3.9	110.3	R97 Y548 T549 L550 G554 V555	R97-R552 PolarHBondContact NH1-O 2.72Å; Y548-R552 WeakPolarHBondContact O-CG 3.29Å; T549-R552 VanDerWaalsContact O-CB 3.3Å; T549-R552 WeakPolarHBondContact O-CB 3.47Å; T549-R552 WeakPolarHBondContact O-CG 3.45Å; T549-R552 PolarHBondContact O-N 3.22Å; L550-R552 PolarHBondContact O-N 2.92Å; L550-R552 VanDerWaalsContact O-N 3.12Å; R552-G554 PolarHBondContact O-N 2.83Å; R552-V555 HydrophobicContact CB-CB 4.5Å; R552-V555 HydrophobicContact CB-CG2 3.57Å; R552-V555 PolarHBondContact O-N 2.85Å
553	P	52.7	Low	76.1	Confident	19 Å²	19	22 Å²	22	12%	0.123	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	127.2	172.9	21.3	-36	0	0	0	112.4	W146 V555	W146-P553 HydrophobicContact CG-CB 4.23Å; W146-P553 VanDerWaalsContact NE1-CB 3.28Å; P553-V555 VanDerWaalsContact C-N 3.33Å; P553-V555 PolarHBondContact O-N 2.82Å
554	G	57.2	Low	75.5	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	8.7	175.2	0	0	0	0	0	116.1	K145 V149 R552 D640	K145-G554 WeakPolarHBondContact O-CA 3.48Å; V149-G554 WeakPolarHBondContact CG2-O 3.45Å; R552-G554 PolarHBondContact O-N 2.83Å; G554-D640 PolarHBondContact O-N 3.45Å
555	V	65.9	Low	75.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.2	173.9	-179.4	0	0	0	0	109.6	R97 L550 R552 P553 M557 D640 I642	R97-V555 PolarHBondContact NH2-O 2.75Å; L550-V555 HydrophobicContact CD2-CG1 4.25Å; R552-V555 HydrophobicContact CB-CB 4.5Å; R552-V555 HydrophobicContact CB-CG2 3.57Å; R552-V555 PolarHBondContact O-N 2.85Å; P553-V555 VanDerWaalsContact C-N 3.33Å; P553-V555 PolarHBondContact O-N 2.82Å; V555-M557 VanDerWaalsContact CG1-O 3.31Å; V555-M557 WeakPolarHBondContact CG1-O 3.47Å; V555-D640 WeakPolarHBondContact CA-O 3.29Å; V555-I642 HydrophobicContact CG2-CB 4.13Å; V555-I642 HydrophobicContact CG2-CD1 3.29Å; V555-I642 HydrophobicContact CG2-CG1 3.69Å
556	G	69.3	Low	74.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-33.2	170.4	0	0	0	0	0	112.4	I607 Y611 L638 D640	G556-I607 WeakPolarHBondContact O-CG1 3.4Å; G556-Y611 WeakPolarHBondContact O-CD2 3.44Å; G556-L638 WeakPolarHBondContact CA-O 3.31Å; G556-L638 PolarHBondContact N-O 2.85Å; G556-D640 PolarHBondContact N-O 3.35Å
557	M	83.5	Confident	73.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.2	-177.6	171.8	-172.2	173	0	0	109.3	V555 P599 H605 I607 L630 A631 V641 I642	V555-M557 VanDerWaalsContact CG1-O 3.31Å; V555-M557 WeakPolarHBondContact CG1-O 3.47Å; M557-P599 HydrophobicContact CE-CG 4.09Å; M557-H605 HydrophobicContact CE-CB 3.45Å; M557-H605 VanDerWaalsContact CE-CB 3.45Å; M557-I607 HydrophobicContact CB-CD1 4.37Å; M557-L630 HydrophobicContact CE-CB 4.4Å; M557-L630 HydrophobicContact CE-CD2 3.82Å; M557-L630 HydrophobicContact CE-CG 4.16Å; M557-L630 HydrophobicContact SD-CB 4.31Å; M557-L630 HydrophobicContact SD-CD2 3.87Å; M557-L630 HydrophobicContact SD-CG 3.74Å; M557-A631 HydrophobicContact CE-CB 4.44Å; M557-A631 HydrophobicContact SD-CB 4.09Å; M557-V641 HydrophobicContact CB-CG1 4.39Å; M557-V641 HydrophobicContact CB-CG2 4.18Å; M557-V641 HydrophobicContact CG-CG1 4.19Å; M557-V641 CarbonylContact O-C 3.52Å; M557-V641 VanDerWaalsContact O-CA 3.24Å; M557-V641 WeakPolarHBondContact O-CA 3.17Å; M557-V641 HydrophobicContact SD-CG1 4.24Å; M557-V641 HydrophobicContact SD-CG2 4.27Å; M557-I642 PolarHBondContact O-N 2.88Å
558	G	85.5	Confident	72.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158.3	171.9	0	0	0	0	0	112.5	H605 F606 I642	G558-H605 CarbonylContact O-C 3.51Å; G558-H605 VanDerWaalsContact O-CA 3.31Å; G558-H605 WeakPolarHBondContact O-CA 3.27Å; G558-H605 WeakPolarHBondContact O-CB 3.48Å; G558-F606 VanDerWaalsContact CA-CE2 3.47Å; G558-F606 PolarHBondContact N-O 3.17Å; G558-F606 PolarHBondContact O-N 3.11Å; G558-I642 CarbonylContact C-O 3.22Å; G558-I642 WeakPolarHBondContact CA-O 3.26Å
559	C	87.6	Confident	71.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.7	170	54.4	0	0	0	0	109.5	T593 P599 Q603 H605 I642 C643 T644	C559-T593 VanDerWaalsContact SG-CG2 3.53Å; C559-P599 HydrophobicContact CB-CB 4.25Å; C559-Q603 HydrophobicContact CB-CG 4.37Å; C559-H605 HydrophobicContact CB-CB 4.32Å; C559-I642 PolarHBondContact N-O 3.36Å; C559-C643 CarbonylContact O-C 2.86Å; C559-C643 VanDerWaalsContact O-CA 3.29Å; C559-C643 WeakPolarHBondContact O-CA 3.46Å; C559-T644 PolarHBondContact O-N 3.39Å
560	F	86.9	Confident	70.6	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-76.9	149	172.5	-65.5	-89.1	0	0	0	110.4	V530 L538 P539 W542 V546 Y562 Q603 P604 F606 T644 A651	V530-F560 HydrophobicContact CG1-CE2 4.13Å; L538-F560 HydrophobicContact CD2-CD2 4.17Å; L538-F560 HydrophobicContact CD2-CE1 4.38Å; L538-F560 HydrophobicContact CD2-CE2 3.83Å; L538-F560 HydrophobicContact CD2-CZ 3.93Å; P539-F560 HydrophobicContact CG-CD1 4.16Å; P539-F560 HydrophobicContact CG-CE1 4.2Å; W542-F560 HydrophobicContact CB-CE1 4.01Å; W542-F560 HydrophobicContact CB-CZ 4.18Å; W542-F560 HydrophobicContact CE3-CZ 4.37Å; V546-F560 HydrophobicContact CG2-CE1 4.16Å; V546-F560 HydrophobicContact CG2-CE2 4.13Å; V546-F560 HydrophobicContact CG2-CZ 3.44Å; V546-F560 VanDerWaalsContact CG2-CZ 3.44Å; F560-Y562 PolarHBondContact O-N 2.91Å; F560-Q603 PolarHBondContact O-NE2 2.89Å; F560-P604 HydrophobicContact CB-CG 4.07Å; F560-P604 HydrophobicContact CD2-CB 3.94Å; F560-P604 HydrophobicContact CD2-CG 3.89Å; F560-P604 HydrophobicContact CG-CG 4.36Å; F560-P604 PolarHBondContact N-O 3.42Å; F560-F606 HydrophobicContact CD1-CE1 4.48Å; F560-F606 AromaticContact CD2-CD1 3.93Å; F560-F606 HydrophobicContact CD2-CD1 3.93Å; F560-F606 HydrophobicContact CD2-CE1 4Å; F560-F606 HydrophobicContact CE1-CE1 4.41Å; F560-F606 AromaticContact CE2-CD1 3.61Å; F560-F606 HydrophobicContact CE2-CD1 3.61Å; F560-F606 AromaticContact CE2-CE1 3.93Å; F560-F606 HydrophobicContact CE2-CE1 3.93Å; F560-F606 HydrophobicContact CG-CE1 4.3Å; F560-F606 HydrophobicContact CZ-CD1 4.1Å; F560-F606 HydrophobicContact CZ-CE1 4.15Å; F560-T644 WeakPolarHBondContact CA-OG1 3.32Å; F560-T644 HydrophobicContact CD1-CG2 4.03Å; F560-A651 HydrophobicContact CB-CB 3.69Å; F560-A651 HydrophobicContact CG-CB 4.2Å
561	A	80.7	Confident	69.7	Low	12 Å²	12	39.8 Å²	39.8	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	133	171.8	0	0	0	0	0	110.7	N590 C643 T644 A650 A651	A561-N590 WeakPolarHBondContact CA-OD1 3.38Å; A561-C643 WeakPolarHBondContact CA-SG 3.49Å; A561-T644 PolarHBondContact N-OG1 3.39Å; A561-A650 HydrophobicContact CB-CB 3.92Å; A561-A650 CarbonylContact O-C 3.2Å; A561-A650 WeakPolarHBondContact O-CA 3.38Å; A561-A650 WeakPolarHBondContact O-CB 3.12Å; A561-A651 PolarHBondContact O-N 3.28Å
562	Y	78.8	Confident	69.1	Low	13 Å²	13	45.8 Å²	45.8	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129	-177.1	-172.2	-93.4	0	0	0	110.5	F560 L564 V589 N590 Q603 V653	F560-Y562 PolarHBondContact O-N 2.91Å; Y562-L564 HydrophobicContact CE1-CD2 3.85Å; Y562-L564 HydrophobicContact CE1-CG 3.77Å; Y562-L564 VanDerWaalsContact OH-CD2 3.31Å; Y562-L564 WeakPolarHBondContact OH-CD2 3.44Å; Y562-V589 HydrophobicContact CD1-CB 3.98Å; Y562-V589 HydrophobicContact CD1-CG1 3.76Å; Y562-V589 HydrophobicContact CD1-CG2 4.18Å; Y562-V589 HydrophobicContact CD2-CG1 4.21Å; Y562-V589 HydrophobicContact CE1-CG2 4.32Å; Y562-V589 HydrophobicContact CG-CB 4.31Å; Y562-V589 HydrophobicContact CG-CG1 3.59Å; Y562-N590 PolarHBondContact N-OD1 2.86Å; Y562-N590 PolarHBondContact O-ND2 3.02Å; Y562-Q603 HydrophobicContact CD2-CB 4.37Å; Y562-Q603 HydrophobicContact CD2-CG 4.39Å; Y562-V653 HydrophobicContact CD2-CB 4.35Å; Y562-V653 HydrophobicContact CD2-CG2 3.78Å; Y562-V653 HydrophobicContact CE2-CB 3.79Å; Y562-V653 HydrophobicContact CE2-CG1 3.92Å; Y562-V653 HydrophobicContact CE2-CG2 3.66Å
563	R	78.7	Confident	68.9	Low	153 Å²	153	50 Å²	50	58%	0.577	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.4	171.8	177.9	178.7	-179.8	178.6	-1.6	109.3	H565 A650 A651 G652 V653	R563-H565 PolarHBondContact O-N 2.89Å; R563-A650 HydrophobicContact CB-CB 3.98Å; R563-A651 WeakPolarHBondContact CB-O 3.22Å; R563-A651 PolarHBondContact N-O 3.02Å; R563-G652 CarbonylContact O-C 3.43Å; R563-G652 VanDerWaalsContact O-CA 3.29Å; R563-G652 WeakPolarHBondContact O-CA 3.18Å; R563-V653 PolarHBondContact O-N 3.38Å
564	L	73.7	Confident	69.1	Low	15 Å²	15	54.6 Å²	54.6	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.3	172.1	-72.2	166.2	0	0	0	110.3	Y562 C582 S586 A655 A658 V663	Y562-L564 HydrophobicContact CE1-CD2 3.85Å; Y562-L564 HydrophobicContact CE1-CG 3.77Å; Y562-L564 VanDerWaalsContact OH-CD2 3.31Å; Y562-L564 WeakPolarHBondContact OH-CD2 3.44Å; L564-C582 HydrophobicContact CB-CB 4.33Å; L564-C582 HydrophobicContact CD1-CB 4.34Å; L564-S586 PolarHBondContact N-OG 3Å; L564-A655 HydrophobicContact CB-CB 4.22Å; L564-A655 HydrophobicContact CD2-CB 4.01Å; L564-A658 HydrophobicContact CD1-CB 4.41Å; L564-A658 HydrophobicContact CD2-CB 4.26Å; L564-V663 HydrophobicContact CD1-CG1 3.64Å
565	H	73.2	Confident	69.7	Low	37 Å²	37	57.4 Å²	57.4	17%	0.171	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134	174	-179.1	-87.1	0	0	0	110	Q537 R563 D567 V653 P654 A655	Q537-H565 VanDerWaalsContact CD-CG 3.43Å; Q537-H565 PolarHBondContact NE2-CD2 3.04Å; Q537-H565 PolarHBondContact NE2-CE1 2.82Å; Q537-H565 VanDerWaalsContact NE2-CG 3.31Å; Q537-H565 PolarHBondContact NE2-ND1 3.4Å; Q537-H565 VanDerWaalsContact NE2-ND1 3.13Å; Q537-H565 PolarHBondContact NE2-NE2 3.5Å; Q537-H565 PolarHBondContact OE1-CD2 2.81Å; Q537-H565 PolarHBondContact OE1-NE2 3.48Å; R563-H565 PolarHBondContact O-N 2.89Å; H565-D567 IonicContact CE1-OD1 3.85Å; H565-D567 IonicContact ND1-OD1 3.77Å; H565-V653 PolarHBondContact N-O 3.47Å; H565-P654 CarbonylContact O-C 3.41Å; H565-P654 WeakPolarHBondContact O-CA 3.33Å; H565-A655 WeakPolarHBondContact O-CB 3.25Å; H565-A655 PolarHBondContact O-N 3.4Å
566	L	64.9	Low	69.9	Low	15 Å²	15	63.6 Å²	63.6	8%	0.079	31%	0.308	C	S	.	.			trans	-104.5	133.1	168.3	-87.2	175	0	0	0	109.5	Y570 W578 A655 L659	L566-Y570 HydrophobicContact CD2-CD2 4.24Å; L566-Y570 HydrophobicContact CD2-CG 4.2Å; L566-W578 HydrophobicContact CB-CH2 4.16Å; L566-W578 HydrophobicContact CD1-CD2 4.05Å; L566-W578 HydrophobicContact CD1-CE3 3.73Å; L566-W578 HydrophobicContact CD1-CH2 2.94Å; L566-W578 HydrophobicContact CD1-CZ2 3.2Å; L566-W578 HydrophobicContact CD1-CZ3 3.19Å; L566-W578 HydrophobicContact CD2-CH2 4.05Å; L566-W578 HydrophobicContact CD2-CZ2 3.79Å; L566-W578 HydrophobicContact CG-CH2 3.11Å; L566-W578 HydrophobicContact CG-CZ2 3.37Å; L566-W578 HydrophobicContact CG-CZ3 3.86Å; L566-A655 HydrophobicContact CD2-CB 4.04Å; L566-A655 HydrophobicContact CG-CB 4.27Å; L566-L659 HydrophobicContact CD2-CD1 3.45Å; L566-L659 VanDerWaalsContact CD2-CD1 3.45Å; L566-L659 HydrophobicContact CD2-CD2 3.48Å; L566-L659 VanDerWaalsContact CD2-CD2 3.48Å; L566-L659 HydrophobicContact CD2-CG 3.49Å; L566-L659 VanDerWaalsContact CD2-CG 3.49Å
567	D	63.2	Low	70.1	Confident	57 Å²	57	69.5 Å²	69.5	31%	0.305	34%	0.339	S	S	.	.			trans	-58.5	152	168.4	-87.5	2.1	0	0	0	113	H565 K569 Y570	H565-D567 IonicContact CE1-OD1 3.85Å; H565-D567 IonicContact ND1-OD1 3.77Å; D567-K569 PolarHBondContact O-N 3.03Å; D567-Y570 HydrophobicContact CB-CD2 4.27Å; D567-Y570 PolarHBondContact O-N 2.87Å
568	D	59.2	Low	69.6	Low	120 Å²	120	71.9 Å²	71.9	64%	0.642	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-55.5	-29.9	-174	-76.8	-7.6	0	0	0	112.7	Y570 I571	D568-Y570 PolarHBondContact O-N 2.73Å; D568-Y570 VanDerWaalsContact O-N 3.15Å; D568-I571 VanDerWaalsContact CA-CD1 3.5Å; D568-I571 HydrophobicContact CB-CD1 3.85Å; D568-I571 VanDerWaalsContact O-CB 3.29Å; D568-I571 WeakPolarHBondContact O-CB 3.46Å; D568-I571 VanDerWaalsContact O-CG1 3.29Å; D568-I571 WeakPolarHBondContact O-CG1 3.31Å; D568-I571 PolarHBondContact O-N 2.76Å; D568-I571 WeakPolarHBondContact OD1-CD1 3.44Å
569	K	58.9	Low	68.8	Low	174 Å²	174	74.3 Å²	74.3	76%	0.757	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-57	-28.8	176	-168.7	179.1	177.9	-172.4	0	113.3	D567	D567-K569 PolarHBondContact O-N 3.03Å
570	Y	58.5	Low	68.3	Low	62 Å²	62	78.7 Å²	78.7	24%	0.243	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-99.7	2.7	-178.8	-58.5	-75.7	0	0	0	113.4	L566 D567 D568 H572 Q573 L659	L566-Y570 HydrophobicContact CD2-CD2 4.24Å; L566-Y570 HydrophobicContact CD2-CG 4.2Å; D567-Y570 HydrophobicContact CB-CD2 4.27Å; D567-Y570 PolarHBondContact O-N 2.87Å; D568-Y570 PolarHBondContact O-N 2.73Å; D568-Y570 VanDerWaalsContact O-N 3.15Å; Y570-H572 PolarHBondContact O-N 2.79Å; Y570-H572 VanDerWaalsContact O-N 3.14Å; Y570-Q573 PolarHBondContact O-N 2.55Å; Y570-L659 HydrophobicContact CD1-CD1 3.75Å; Y570-L659 HydrophobicContact CD2-CD1 3.77Å; Y570-L659 HydrophobicContact CE1-CD1 3.8Å; Y570-L659 HydrophobicContact CE2-CD1 3.83Å; Y570-L659 HydrophobicContact CG-CD1 3.74Å
571	I	56.8	Low	67.8	Low	59 Å²	59	79.4 Å²	79.4	30%	0.303	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-56.5	-34.4	180	-71.5	176.7	0	0	0	111.9	D568 Q573 K574	D568-I571 VanDerWaalsContact CA-CD1 3.5Å; D568-I571 HydrophobicContact CB-CD1 3.85Å; D568-I571 VanDerWaalsContact O-CB 3.29Å; D568-I571 WeakPolarHBondContact O-CB 3.46Å; D568-I571 VanDerWaalsContact O-CG1 3.29Å; D568-I571 WeakPolarHBondContact O-CG1 3.31Å; D568-I571 PolarHBondContact O-N 2.76Å; D568-I571 WeakPolarHBondContact OD1-CD1 3.44Å; I571-Q573 PolarHBondContact O-N 3.42Å; I571-K574 HydrophobicContact CB-CD 4.5Å; I571-K574 HydrophobicContact CG2-CD 4.1Å; I571-K574 VanDerWaalsContact O-CB 3.28Å; I571-K574 WeakPolarHBondContact O-CB 3.32Å; I571-K574 WeakPolarHBondContact O-CD 3.37Å; I571-K574 WeakPolarHBondContact O-CG 3.49Å; I571-K574 PolarHBondContact O-N 3.05Å
572	H	55.7	Low	67.5	Low	178 Å²	178	79.2 Å²	79.2	82%	0.824	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-72.1	-14.1	-178.4	-59	-63.5	0	0	0	114	Y570 K574	Y570-H572 PolarHBondContact O-N 2.79Å; Y570-H572 VanDerWaalsContact O-N 3.14Å; H572-K574 VanDerWaalsContact C-N 3.35Å
573	Q	56.4	Low	67.4	Low	135 Å²	135	86.4 Å²	86.4	63%	0.631	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-91.6	4.4	176.1	-66	-176.2	-7.8	0	0	113	Y570 I571 S575	Y570-Q573 PolarHBondContact O-N 2.55Å; I571-Q573 PolarHBondContact O-N 3.42Å; Q573-S575 PolarHBondContact O-N 3.12Å
574	K	57.4	Low	67.4	Low	116 Å²	116	81.3 Å²	81.3	50%	0.504	41%	0.405	S	S	.	.			trans	-66	95.1	-177.4	-74.6	176.9	-178.6	171.3	0	111.8	I571 H572	I571-K574 HydrophobicContact CB-CD 4.5Å; I571-K574 HydrophobicContact CG2-CD 4.1Å; I571-K574 VanDerWaalsContact O-CB 3.28Å; I571-K574 WeakPolarHBondContact O-CB 3.32Å; I571-K574 WeakPolarHBondContact O-CD 3.37Å; I571-K574 WeakPolarHBondContact O-CG 3.49Å; I571-K574 PolarHBondContact O-N 3.05Å; H572-K574 VanDerWaalsContact C-N 3.35Å
575	S	69	Low	67.4	Low	59 Å²	59	80.6 Å²	80.6	41%	0.413	40%	0.401	S	S	.	.			trans	-78.2	146.6	155.2	68.1	0	0	0	0	109.6	Q573 L577 W578 A579	Q573-S575 PolarHBondContact O-N 3.12Å; S575-L577 PolarHBondContact O-N 3.46Å; S575-L577 VanDerWaalsContact O-N 3.15Å; S575-W578 WeakPolarHBondContact O-CB 3.49Å; S575-W578 PolarHBondContact O-N 3.45Å; S575-W578 WeakPolarHBondContact OG-CB 3.42Å; S575-W578 PolarHBondContact OG-N 3.26Å; S575-A579 PolarHBondContact O-N 3.11Å; S575-A579 VanDerWaalsContact O-N 3.17Å
576	V	70.9	Confident	67.7	Low	130 Å²	130	79.4 Å²	79.4	79%	0.788	40%	0.397	S	S	*	.	H	α-helix	trans	-53.9	-33.3	170.7	176.3	0	0	0	0	110.6	A579 L580	V576-A579 PolarHBondContact O-N 2.87Å; V576-L580 WeakPolarHBondContact O-CB 3.33Å; V576-L580 PolarHBondContact O-N 3.39Å
577	L	73	Confident	68.4	Low	124 Å²	124	85.5 Å²	85.5	65%	0.649	42%	0.419	S	S	*	.	H	α-helix	trans	-63.9	-40.9	176.6	-160.8	81.7	0	0	0	112.5	S575 L580 S581	S575-L577 PolarHBondContact O-N 3.46Å; S575-L577 VanDerWaalsContact O-N 3.15Å; L577-L580 PolarHBondContact O-N 3.18Å; L577-S581 WeakPolarHBondContact O-CB 3.49Å; L577-S581 PolarHBondContact O-N 2.96Å; L577-S581 PolarHBondContact O-OG 3.19Å
578	W	71.8	Confident	69	Low	51 Å²	51	84.7 Å²	84.7	19%	0.193	42%	0.415	C	S	.	.	H	α-helix	trans	-67	-43.7	177	-174.7	92.4	0	0	0	111	L566 S575 L580 S581 C582 A655 L659	L566-W578 HydrophobicContact CB-CH2 4.16Å; L566-W578 HydrophobicContact CD1-CD2 4.05Å; L566-W578 HydrophobicContact CD1-CE3 3.73Å; L566-W578 HydrophobicContact CD1-CH2 2.94Å; L566-W578 HydrophobicContact CD1-CZ2 3.2Å; L566-W578 HydrophobicContact CD1-CZ3 3.19Å; L566-W578 HydrophobicContact CD2-CH2 4.05Å; L566-W578 HydrophobicContact CD2-CZ2 3.79Å; L566-W578 HydrophobicContact CG-CH2 3.11Å; L566-W578 HydrophobicContact CG-CZ2 3.37Å; L566-W578 HydrophobicContact CG-CZ3 3.86Å; S575-W578 WeakPolarHBondContact O-CB 3.49Å; S575-W578 PolarHBondContact O-N 3.45Å; S575-W578 WeakPolarHBondContact OG-CB 3.42Å; S575-W578 PolarHBondContact OG-N 3.26Å; W578-L580 PolarHBondContact O-N 2.86Å; W578-S581 WeakPolarHBondContact O-CB 3.45Å; W578-S581 PolarHBondContact O-N 3.08Å; W578-S581 VanDerWaalsContact O-N 3.16Å; W578-C582 VanDerWaalsContact CE2-SG 3.51Å; W578-C582 HydrophobicContact CH2-CB 4.1Å; W578-C582 WeakPolarHBondContact CH2-SG 3.3Å; W578-C582 WeakPolarHBondContact CZ2-SG 3.36Å; W578-C582 HydrophobicContact CZ3-CB 4.17Å; W578-C582 PolarHBondContact O-N 3.34Å; W578-A655 HydrophobicContact CZ2-CB 4.38Å; W578-L659 HydrophobicContact CZ2-CD2 4.41Å
579	A	70.2	Confident	69.8	Low	51 Å²	51	79 Å²	79	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-42.6	175.7	0	0	0	0	0	112.4	S575 V576 S581 C582 W583	S575-A579 PolarHBondContact O-N 3.11Å; S575-A579 VanDerWaalsContact O-N 3.17Å; V576-A579 PolarHBondContact O-N 2.87Å; A579-S581 VanDerWaalsContact C-N 3.33Å; A579-S581 PolarHBondContact O-N 2.89Å; A579-C582 PolarHBondContact O-N 2.99Å; A579-W583 WeakPolarHBondContact O-CB 3.37Å; A579-W583 PolarHBondContact O-N 2.75Å
580	L	77	Confident	70.7	Confident	91 Å²	91	72.1 Å²	72.1	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-42.7	173.6	-169.2	91.6	0	0	0	111.2	V576 L577 W578 W583 L584	V576-L580 WeakPolarHBondContact O-CB 3.33Å; V576-L580 PolarHBondContact O-N 3.39Å; L577-L580 PolarHBondContact O-N 3.18Å; W578-L580 PolarHBondContact O-N 2.86Å; L580-W583 PolarHBondContact O-N 3.35Å; L580-L584 HydrophobicContact CD2-CD1 4.09Å; L580-L584 HydrophobicContact CG-CD1 4.11Å; L580-L584 WeakPolarHBondContact O-CB 3.2Å; L580-L584 WeakPolarHBondContact O-CG 3.43Å; L580-L584 PolarHBondContact O-N 3.06Å
581	S	75.7	Confident	71.5	Confident	16 Å²	16	71.6 Å²	71.6	11%	0.112	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-42.3	178.8	-59.4	0	0	0	0	111.4	L577 W578 A579 L584 G585 V663	L577-S581 WeakPolarHBondContact O-CB 3.49Å; L577-S581 PolarHBondContact O-N 2.96Å; L577-S581 PolarHBondContact O-OG 3.19Å; W578-S581 WeakPolarHBondContact O-CB 3.45Å; W578-S581 PolarHBondContact O-N 3.08Å; W578-S581 VanDerWaalsContact O-N 3.16Å; A579-S581 VanDerWaalsContact C-N 3.33Å; A579-S581 PolarHBondContact O-N 2.89Å; S581-L584 PolarHBondContact O-N 2.78Å; S581-G585 PolarHBondContact O-N 3.11Å; S581-V663 VanDerWaalsContact O-CG1 3.32Å; S581-V663 WeakPolarHBondContact O-CG1 3.5Å
582	C	74.7	Confident	72.3	Confident	8 Å²	8	70.3 Å²	70.3	5%	0.054	35%	0.351	C	S	.	.	H	α-helix	trans	-65.5	-40.2	174.8	-75.7	0	0	0	0	113.3	L564 W578 A579 S586 V663	L564-C582 HydrophobicContact CB-CB 4.33Å; L564-C582 HydrophobicContact CD1-CB 4.34Å; W578-C582 VanDerWaalsContact CE2-SG 3.51Å; W578-C582 HydrophobicContact CH2-CB 4.1Å; W578-C582 WeakPolarHBondContact CH2-SG 3.3Å; W578-C582 WeakPolarHBondContact CZ2-SG 3.36Å; W578-C582 HydrophobicContact CZ3-CB 4.17Å; W578-C582 PolarHBondContact O-N 3.34Å; A579-C582 PolarHBondContact O-N 2.99Å; C582-S586 VanDerWaalsContact O-CB 3.28Å; C582-S586 WeakPolarHBondContact O-CB 3.15Å; C582-S586 PolarHBondContact O-N 3.25Å; C582-S586 PolarHBondContact O-OG 2.73Å; C582-V663 WeakPolarHBondContact SG-CG2 3.42Å
583	W	76.9	Confident	73.1	Confident	163 Å²	163	61.9 Å²	61.9	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-63.7	-47.2	174.1	178.7	82.3	0	0	0	111.4	A579 L580 S586 W587	A579-W583 WeakPolarHBondContact O-CB 3.37Å; A579-W583 PolarHBondContact O-N 2.75Å; L580-W583 PolarHBondContact O-N 3.35Å; W583-S586 PolarHBondContact O-N 2.86Å; W583-W587 WeakPolarHBondContact O-CB 3.47Å; W583-W587 PolarHBondContact O-N 3.39Å
584	L	78.6	Confident	73.9	Confident	46 Å²	46	59.7 Å²	59.7	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-45.9	175.5	-77.6	167.7	0	0	0	111.5	L580 S581 W587 I588 Y664	L580-L584 HydrophobicContact CD2-CD1 4.09Å; L580-L584 HydrophobicContact CG-CD1 4.11Å; L580-L584 WeakPolarHBondContact O-CB 3.2Å; L580-L584 WeakPolarHBondContact O-CG 3.43Å; L580-L584 PolarHBondContact O-N 3.06Å; S581-L584 PolarHBondContact O-N 2.78Å; L584-W587 WeakPolarHBondContact O-CB 2.97Å; L584-W587 PolarHBondContact O-N 2.76Å; L584-I588 VanDerWaalsContact O-CG1 3.28Å; L584-I588 WeakPolarHBondContact O-CG1 3.45Å; L584-I588 PolarHBondContact O-N 2.86Å; L584-Y664 WeakPolarHBondContact CD1-OH 3.23Å
585	G	73.9	Confident	74.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-48.8	178	0	0	0	0	0	112	S581 W587 I588 V589	S581-G585 PolarHBondContact O-N 3.11Å; G585-W587 VanDerWaalsContact C-N 3.29Å; G585-W587 PolarHBondContact O-N 2.82Å; G585-I588 PolarHBondContact O-N 3.07Å; G585-V589 WeakPolarHBondContact O-CG2 3.43Å; G585-V589 PolarHBondContact O-N 2.99Å
586	S	78.9	Confident	74.3	Confident	13 Å²	13	64.5 Å²	64.5	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-39.3	175.5	-55.5	0	0	0	0	111.7	L564 C582 W583 N590	L564-S586 PolarHBondContact N-OG 3Å; C582-S586 VanDerWaalsContact O-CB 3.28Å; C582-S586 WeakPolarHBondContact O-CB 3.15Å; C582-S586 PolarHBondContact O-N 3.25Å; C582-S586 PolarHBondContact O-OG 2.73Å; W583-S586 PolarHBondContact O-N 2.86Å; S586-N590 WeakPolarHBondContact O-CB 3.4Å; S586-N590 VanDerWaalsContact O-CG 3.25Å; S586-N590 PolarHBondContact O-N 2.71Å; S586-N590 PolarHBondContact O-ND2 3.32Å
587	W	78.8	Confident	74.3	Confident	143 Å²	143	58.7 Å²	58.7	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-46.7	176.3	179.4	77.2	0	0	0	112.1	W583 L584 G585 V589 N590 V591	W583-W587 WeakPolarHBondContact O-CB 3.47Å; W583-W587 PolarHBondContact O-N 3.39Å; L584-W587 WeakPolarHBondContact O-CB 2.97Å; L584-W587 PolarHBondContact O-N 2.76Å; G585-W587 VanDerWaalsContact C-N 3.29Å; G585-W587 PolarHBondContact O-N 2.82Å; W587-V589 PolarHBondContact O-N 3.4Å; W587-N590 PolarHBondContact O-N 2.93Å; W587-V591 HydrophobicContact CD2-CG2 4.11Å; W587-V591 HydrophobicContact CG-CG2 4.46Å; W587-V591 HydrophobicContact CZ2-CG2 3.97Å; W587-V591 WeakPolarHBondContact O-CB 3.23Å; W587-V591 VanDerWaalsContact O-CG2 3.27Å; W587-V591 WeakPolarHBondContact O-CG2 3.29Å; W587-V591 PolarHBondContact O-N 3.04Å
588	I	77.8	Confident	74.2	Confident	40 Å²	40	52.9 Å²	52.9	21%	0.205	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-47.5	178.7	-66.3	166.2	0	0	0	110.6	L584 G585 N590 V591 Q592 V667 I671	L584-I588 VanDerWaalsContact O-CG1 3.28Å; L584-I588 WeakPolarHBondContact O-CG1 3.45Å; L584-I588 PolarHBondContact O-N 2.86Å; G585-I588 PolarHBondContact O-N 3.07Å; I588-N590 PolarHBondContact O-N 3.48Å; I588-V591 PolarHBondContact O-N 2.78Å; I588-Q592 PolarHBondContact O-N 3.48Å; I588-V667 HydrophobicContact CB-CG1 4.1Å; I588-V667 HydrophobicContact CG2-CG1 3.83Å; I588-I671 HydrophobicContact CG2-CD1 3.62Å
589	V	74.5	Confident	74.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-48.4	177.7	167.6	0	0	0	0	111.1	Y562 G585 W587 V591 Q592 T593 I600 V667	Y562-V589 HydrophobicContact CD1-CB 3.98Å; Y562-V589 HydrophobicContact CD1-CG1 3.76Å; Y562-V589 HydrophobicContact CD1-CG2 4.18Å; Y562-V589 HydrophobicContact CD2-CG1 4.21Å; Y562-V589 HydrophobicContact CE1-CG2 4.32Å; Y562-V589 HydrophobicContact CG-CB 4.31Å; Y562-V589 HydrophobicContact CG-CG1 3.59Å; G585-V589 WeakPolarHBondContact O-CG2 3.43Å; G585-V589 PolarHBondContact O-N 2.99Å; W587-V589 PolarHBondContact O-N 3.4Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 3.42Å; V589-Q592 PolarHBondContact O-N 3.29Å; V589-Q592 PolarHBondContact O-OE1 3.06Å; V589-T593 WeakPolarHBondContact O-CB 3.36Å; V589-T593 PolarHBondContact O-N 3.3Å; V589-T593 PolarHBondContact O-OG1 2.87Å; V589-I600 HydrophobicContact CB-CD1 3.83Å; V589-I600 HydrophobicContact CG1-CB 4.31Å; V589-I600 HydrophobicContact CG1-CD1 3.35Å; V589-I600 HydrophobicContact CG1-CG1 3.95Å; V589-I600 HydrophobicContact CG2-CD1 3.48Å; V589-I600 VanDerWaalsContact CG2-CD1 3.48Å; V589-V667 HydrophobicContact CG2-CB 4.43Å; V589-V667 HydrophobicContact CG2-CG1 3.89Å; V589-V667 HydrophobicContact CG2-CG2 4Å
590	N	78	Confident	74.6	Confident	29 Å²	29	48.2 Å²	48.2	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-36.7	-180	-75	-42.3	0	0	0	112.5	A561 Y562 S586 W587 I588 N594	A561-N590 WeakPolarHBondContact CA-OD1 3.38Å; Y562-N590 PolarHBondContact N-OD1 2.86Å; Y562-N590 PolarHBondContact O-ND2 3.02Å; S586-N590 WeakPolarHBondContact O-CB 3.4Å; S586-N590 VanDerWaalsContact O-CG 3.25Å; S586-N590 PolarHBondContact O-N 2.71Å; S586-N590 PolarHBondContact O-ND2 3.32Å; W587-N590 PolarHBondContact O-N 2.93Å; I588-N590 PolarHBondContact O-N 3.48Å; N590-N594 VanDerWaalsContact O-CB 3.27Å; N590-N594 WeakPolarHBondContact O-CB 3.25Å; N590-N594 VanDerWaalsContact O-CG 3.28Å; N590-N594 PolarHBondContact O-N 2.9Å; N590-N594 PolarHBondContact O-ND2 3.15Å
591	V	75.7	Confident	74.2	Confident	50 Å²	50	45.1 Å²	45.1	30%	0.303	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-46.6	174.5	169.9	0	0	0	0	110.3	W587 I588 V589 T593 N594 W595	W587-V591 HydrophobicContact CD2-CG2 4.11Å; W587-V591 HydrophobicContact CG-CG2 4.46Å; W587-V591 HydrophobicContact CZ2-CG2 3.97Å; W587-V591 WeakPolarHBondContact O-CB 3.23Å; W587-V591 VanDerWaalsContact O-CG2 3.27Å; W587-V591 WeakPolarHBondContact O-CG2 3.29Å; W587-V591 PolarHBondContact O-N 3.04Å; I588-V591 PolarHBondContact O-N 2.78Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 3.42Å; V591-T593 PolarHBondContact O-N 3.4Å; V591-N594 PolarHBondContact O-N 2.81Å; V591-W595 WeakPolarHBondContact O-CB 3.11Å; V591-W595 VanDerWaalsContact O-CD1 3.27Å; V591-W595 PolarHBondContact O-N 2.92Å
592	Q	74.4	Confident	73.9	Confident	32 Å²	32	44.9 Å²	44.9	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-44.4	176.7	170.3	-86.7	-32.4	0	0	111.7	I588 V589 N594 W595 S596 V598 I671	I588-Q592 PolarHBondContact O-N 3.48Å; V589-Q592 PolarHBondContact O-N 3.29Å; V589-Q592 PolarHBondContact O-OE1 3.06Å; Q592-N594 PolarHBondContact O-N 2.89Å; Q592-W595 PolarHBondContact O-N 2.65Å; Q592-S596 PolarHBondContact NE2-OG 2.97Å; Q592-S596 WeakPolarHBondContact O-CB 3.37Å; Q592-S596 PolarHBondContact O-N 3.02Å; Q592-S596 PolarHBondContact O-OG 2.8Å; Q592-V598 PolarHBondContact NE2-O 3.31Å; Q592-I671 HydrophobicContact CG-CG1 4.34Å
593	T	72.2	Confident	74.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-43.4	178.9	-55	0	0	0	0	110.8	C559 V589 V591 W595 G597 C643	C559-T593 VanDerWaalsContact SG-CG2 3.53Å; V589-T593 WeakPolarHBondContact O-CB 3.36Å; V589-T593 PolarHBondContact O-N 3.3Å; V589-T593 PolarHBondContact O-OG1 2.87Å; V591-T593 PolarHBondContact O-N 3.4Å; T593-W595 VanDerWaalsContact C-N 3.32Å; T593-W595 PolarHBondContact O-N 2.81Å; T593-G597 VanDerWaalsContact O-CA 3.24Å; T593-G597 WeakPolarHBondContact O-CA 3.35Å; T593-G597 PolarHBondContact O-N 3.42Å; T593-C643 HydrophobicContact CG2-CB 4.34Å
594	N	71.7	Confident	74.6	Confident	89 Å²	89	37 Å²	37	48%	0.476	18%	0.183	S	C	.	.	H	α-helix	trans	-65.8	-32.5	177.2	-80	-52.7	0	0	0	113.5	N590 V591 Q592 C643	N590-N594 VanDerWaalsContact O-CB 3.27Å; N590-N594 WeakPolarHBondContact O-CB 3.25Å; N590-N594 VanDerWaalsContact O-CG 3.28Å; N590-N594 PolarHBondContact O-N 2.9Å; N590-N594 PolarHBondContact O-ND2 3.15Å; V591-N594 PolarHBondContact O-N 2.81Å; Q592-N594 PolarHBondContact O-N 2.89Å; N594-C643 WeakPolarHBondContact OD1-CB 3.25Å
595	W	68.4	Low	75.2	Confident	230 Å²	230	34.9 Å²	34.9	87%	0.871	17%	0.172	S	C	*	.	H	α-helix	trans	-83.1	-43.9	-179.5	-86.6	52.1	0	0	0	113.2	V591 Q592 T593	V591-W595 WeakPolarHBondContact O-CB 3.11Å; V591-W595 VanDerWaalsContact O-CD1 3.27Å; V591-W595 PolarHBondContact O-N 2.92Å; Q592-W595 PolarHBondContact O-N 2.65Å; T593-W595 VanDerWaalsContact C-N 3.32Å; T593-W595 PolarHBondContact O-N 2.81Å
596	S	67.9	Low	76	Confident	47 Å²	47	34.9 Å²	34.9	33%	0.329	17%	0.172	S	C	.	.	H	α-helix	trans	-90.1	-20.6	-176	63.3	0	0	0	0	113.5	Q592 V598	Q592-S596 PolarHBondContact NE2-OG 2.97Å; Q592-S596 WeakPolarHBondContact O-CB 3.37Å; Q592-S596 PolarHBondContact O-N 3.02Å; Q592-S596 PolarHBondContact O-OG 2.8Å; S596-V598 PolarHBondContact O-N 2.63Å; S596-V598 PolarHBondContact OG-N 2.92Å
597	G	69.3	Low	76.5	Confident	7 Å²	7	34.3 Å²	34.3	7%	0.072	17%	0.168	C	C	.	.			trans	64.3	19	-168.9	0	0	0	0	0	112.9	T593 H635 V641	T593-G597 VanDerWaalsContact O-CA 3.24Å; T593-G597 WeakPolarHBondContact O-CA 3.35Å; T593-G597 PolarHBondContact O-N 3.42Å; G597-H635 PolarHBondContact O-NE2 3.22Å; G597-V641 WeakPolarHBondContact O-CB 3.02Å; G597-V641 WeakPolarHBondContact O-CG1 3.49Å; G597-V641 WeakPolarHBondContact O-CG2 3.41Å
598	V	72.3	Confident	76.7	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.142	C	C	.	.			trans	-111.6	117.1	179.1	-179.6	0	0	0	0	108.4	Q592 S596 I628 Y678	Q592-V598 PolarHBondContact NE2-O 3.31Å; S596-V598 PolarHBondContact O-N 2.63Å; S596-V598 PolarHBondContact OG-N 2.92Å; V598-I628 HydrophobicContact CG1-CB 4.2Å; V598-I628 HydrophobicContact CG1-CG1 3.87Å; V598-I628 HydrophobicContact CG1-CG2 3.8Å; V598-Y678 HydrophobicContact CG2-CD2 3.99Å; V598-Y678 HydrophobicContact CG2-CE2 4.47Å
599	P	77.1	Confident	76.9	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-69.7	156.9	176	31.9	-34.4	0	0	0	110.4	M557 C559 Q603 A627 I628 A631	M557-P599 HydrophobicContact CE-CG 4.09Å; C559-P599 HydrophobicContact CB-CB 4.25Å; P599-Q603 VanDerWaalsContact CA-OE1 3.22Å; P599-Q603 HydrophobicContact CB-CB 4.28Å; P599-A627 HydrophobicContact CG-CB 3.97Å; P599-A627 WeakPolarHBondContact CG-O 3.32Å; P599-I628 WeakPolarHBondContact O-CG1 3.05Å; P599-A631 HydrophobicContact CG-CB 4.01Å
600	I	73.7	Confident	76.8	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.015	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-86.3	155.8	174.8	-70	-166	0	0	0	110.6	V589 G602 Q603 T670 I671	V589-I600 HydrophobicContact CB-CD1 3.83Å; V589-I600 HydrophobicContact CG1-CB 4.31Å; V589-I600 HydrophobicContact CG1-CD1 3.35Å; V589-I600 HydrophobicContact CG1-CG1 3.95Å; V589-I600 HydrophobicContact CG2-CD1 3.48Å; V589-I600 VanDerWaalsContact CG2-CD1 3.48Å; I600-G602 PolarHBondContact O-N 3.22Å; I600-Q603 WeakPolarHBondContact O-CB 3.35Å; I600-Q603 PolarHBondContact O-N 3.22Å; I600-T670 HydrophobicContact CG2-CG2 3.54Å; I600-I671 HydrophobicContact CD1-CG1 3.96Å
601	A	67.9	Low	76.7	Confident	26 Å²	26	24.7 Å²	24.7	22%	0.215	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	131	170.2	0	0	0	0	0	111.7	Q603 A624	A601-Q603 PolarHBondContact O-N 3.04Å; A601-A624 HydrophobicContact CB-CB 4.47Å
602	G	69.4	Low	76.9	Confident	11 Å²	11	22.5 Å²	22.5	11%	0.113	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-4.8	-177.7	0	0	0	0	0	115.3	I600 P604	I600-G602 PolarHBondContact O-N 3.22Å; G602-P604 WeakPolarHBondContact O-CD 3.36Å
603	Q	79.9	Confident	76.9	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.009	13%	0.129	C	C	.	.			trans	-72	122.2	175.6	-169.4	174.2	7.1	0	0	110.1	C559 F560 Y562 P599 I600 A601 H605	C559-Q603 HydrophobicContact CB-CG 4.37Å; F560-Q603 PolarHBondContact O-NE2 2.89Å; Y562-Q603 HydrophobicContact CD2-CB 4.37Å; Y562-Q603 HydrophobicContact CD2-CG 4.39Å; P599-Q603 VanDerWaalsContact CA-OE1 3.22Å; P599-Q603 HydrophobicContact CB-CB 4.28Å; I600-Q603 WeakPolarHBondContact O-CB 3.35Å; I600-Q603 PolarHBondContact O-N 3.22Å; A601-Q603 PolarHBondContact O-N 3.04Å; Q603-H605 PolarHBondContact O-N 3.44Å; Q603-H605 PolarHBondContact O-ND1 3.28Å; Q603-H605 VanDerWaalsContact O-ND1 3.17Å
604	P	86.3	Confident	76.6	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.013	14%	0.138	C	C	.	.			trans	-67.2	137	-179.1	27.1	-34.2	0	0	0	110.3	L532 V536 F560 G602 A651	L532-P604 HydrophobicContact CD2-CB 3.39Å; L532-P604 HydrophobicContact CD2-CG 4.49Å; V536-P604 HydrophobicContact CG1-CB 4.15Å; V536-P604 HydrophobicContact CG1-CG 3.8Å; F560-P604 HydrophobicContact CB-CG 4.07Å; F560-P604 HydrophobicContact CD2-CB 3.94Å; F560-P604 HydrophobicContact CD2-CG 3.89Å; F560-P604 HydrophobicContact CG-CG 4.36Å; F560-P604 PolarHBondContact N-O 3.42Å; G602-P604 WeakPolarHBondContact O-CD 3.36Å; P604-A651 HydrophobicContact CG-CB 3.42Å; P604-A651 VanDerWaalsContact CG-CB 3.42Å
605	H	90.8	Very high	76.6	Confident	3 Å²	3	23.6 Å²	23.6	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.2	-171.3	58.8	-86.7	0	0	0	111.7	I531 M557 G558 C559 Q603 Y618	I531-H605 PolarHBondContact N-O 3.37Å; I531-H605 PolarHBondContact O-N 3.38Å; M557-H605 HydrophobicContact CE-CB 3.45Å; M557-H605 VanDerWaalsContact CE-CB 3.45Å; G558-H605 CarbonylContact O-C 3.51Å; G558-H605 VanDerWaalsContact O-CA 3.31Å; G558-H605 WeakPolarHBondContact O-CA 3.27Å; G558-H605 WeakPolarHBondContact O-CB 3.48Å; C559-H605 HydrophobicContact CB-CB 4.32Å; Q603-H605 PolarHBondContact O-N 3.44Å; Q603-H605 PolarHBondContact O-ND1 3.28Å; Q603-H605 VanDerWaalsContact O-ND1 3.17Å; H605-Y618 PolarHBondContact CE1-OH 3.42Å; H605-Y618 AromaticContact NE2-CE2 3.64Å; H605-Y618 AromaticContact NE2-CZ 3.62Å; H605-Y618 PolarHBondContact NE2-OH 2.84Å
606	F	91.7	Very high	76.8	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.9	-170.9	54.4	-96.6	0	0	0	112.1	L529 V530 V546 T549 L550 G558 F560 T644	L529-F606 CarbonylContact O-C 3.6Å; L529-F606 WeakPolarHBondContact O-CA 3.48Å; L529-F606 VanDerWaalsContact O-CB 3.3Å; L529-F606 WeakPolarHBondContact O-CB 3.35Å; V530-F606 HydrophobicContact CB-CB 4.4Å; V530-F606 HydrophobicContact CG2-CB 3.85Å; V546-F606 HydrophobicContact CB-CD2 4.27Å; V546-F606 HydrophobicContact CB-CE2 4.4Å; V546-F606 HydrophobicContact CB-CG 4.36Å; V546-F606 HydrophobicContact CG1-CB 4.09Å; V546-F606 HydrophobicContact CG1-CD2 3.69Å; V546-F606 HydrophobicContact CG1-CE2 4.21Å; V546-F606 HydrophobicContact CG1-CG 3.91Å; V546-F606 HydrophobicContact CG2-CB 4.34Å; V546-F606 HydrophobicContact CG2-CD1 3.78Å; V546-F606 HydrophobicContact CG2-CD2 4.25Å; V546-F606 HydrophobicContact CG2-CE1 4.05Å; V546-F606 HydrophobicContact CG2-CE2 4.48Å; V546-F606 HydrophobicContact CG2-CG 3.88Å; V546-F606 HydrophobicContact CG2-CZ 4.38Å; T549-F606 HydrophobicContact CG2-CE2 3.87Å; T549-F606 HydrophobicContact CG2-CZ 3.74Å; L550-F606 HydrophobicContact CD1-CD2 3.9Å; L550-F606 HydrophobicContact CD2-CD2 3.71Å; L550-F606 HydrophobicContact CD2-CE2 3.97Å; L550-F606 HydrophobicContact CG-CD2 3.56Å; L550-F606 HydrophobicContact CG-CE2 3.74Å; G558-F606 VanDerWaalsContact CA-CE2 3.47Å; G558-F606 PolarHBondContact N-O 3.17Å; G558-F606 PolarHBondContact O-N 3.11Å; F560-F606 HydrophobicContact CD1-CE1 4.48Å; F560-F606 AromaticContact CD2-CD1 3.93Å; F560-F606 HydrophobicContact CD2-CD1 3.93Å; F560-F606 HydrophobicContact CD2-CE1 4Å; F560-F606 HydrophobicContact CE1-CE1 4.41Å; F560-F606 AromaticContact CE2-CD1 3.61Å; F560-F606 HydrophobicContact CE2-CD1 3.61Å; F560-F606 AromaticContact CE2-CE1 3.93Å; F560-F606 HydrophobicContact CE2-CE1 3.93Å; F560-F606 HydrophobicContact CG-CE1 4.3Å; F560-F606 HydrophobicContact CZ-CD1 4.1Å; F560-F606 HydrophobicContact CZ-CE1 4.15Å; F606-T644 HydrophobicContact CE1-CG2 3.89Å; F606-T644 HydrophobicContact CZ-CG2 3.78Å
607	I	88.6	Confident	77.4	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	154.6	-173.4	-176.8	156	0	0	0	109.5	L529 G556 M557 L612 L630 L638	L529-I607 HydrophobicContact CB-CG2 4.38Å; L529-I607 PolarHBondContact N-O 2.82Å; L529-I607 PolarHBondContact O-N 2.9Å; G556-I607 WeakPolarHBondContact O-CG1 3.4Å; M557-I607 HydrophobicContact CB-CD1 4.37Å; I607-L612 HydrophobicContact CD1-CD2 3.82Å; I607-L612 HydrophobicContact CD1-CG 4.25Å; I607-L612 HydrophobicContact CG1-CD2 4.42Å; I607-L612 HydrophobicContact CG1-CG 4.35Å; I607-L612 HydrophobicContact CG2-CD1 3.89Å; I607-L612 HydrophobicContact CG2-CD2 3.91Å; I607-L612 HydrophobicContact CG2-CG 3.69Å; I607-L630 HydrophobicContact CD1-CD1 4.39Å; I607-L638 HydrophobicContact CD1-CD1 3.87Å
608	Y	82.6	Confident	78.1	Confident	3 Å²	3	14.9 Å²	14.9	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.1	169.7	-72.6	-62.2	0	0	0	111.6	L94 S527 M528 L550 Q551 H610 Y611 L612	L94-Y608 HydrophobicContact CD1-CD1 3.53Å; L94-Y608 HydrophobicContact CD1-CD2 4.22Å; L94-Y608 HydrophobicContact CD1-CE1 3.16Å; L94-Y608 HydrophobicContact CD1-CE2 3.88Å; L94-Y608 HydrophobicContact CD1-CG 4.06Å; S527-Y608 WeakPolarHBondContact O-CA 3.38Å; M528-Y608 HydrophobicContact CE-CE1 3.75Å; M528-Y608 HydrophobicContact CG-CD1 3.85Å; M528-Y608 HydrophobicContact CG-CE1 3.77Å; M528-Y608 HydrophobicContact SD-CE1 4.08Å; L550-Y608 HydrophobicContact CB-CD2 4.28Å; L550-Y608 HydrophobicContact CB-CE1 4.09Å; L550-Y608 HydrophobicContact CB-CE2 3.55Å; L550-Y608 VanDerWaalsContact CB-CZ 3.41Å; L550-Y608 WeakPolarHBondContact CB-OH 3.38Å; L550-Y608 HydrophobicContact CD1-CD1 4.05Å; L550-Y608 HydrophobicContact CD1-CD2 4.4Å; L550-Y608 HydrophobicContact CD1-CE1 3.96Å; L550-Y608 HydrophobicContact CD1-CE2 4.35Å; L550-Y608 HydrophobicContact CD1-CG 4.25Å; L550-Y608 HydrophobicContact CG-CE2 4.36Å; Q551-Y608 PolarHBondContact N-OH 3.2Å; Y608-H610 WeakPolarHBondContact CB-CE1 3.28Å; Y608-H610 WeakPolarHBondContact CB-ND1 3.31Å; Y608-H610 AromaticContact CD2-CE1 3.69Å; Y608-H610 AromaticContact CG-CE1 3.47Å; Y608-H610 VanDerWaalsContact CG-CE1 3.47Å; Y608-H610 AromaticContact CG-ND1 3.86Å; Y608-H610 PolarHBondContact O-N 3.18Å; Y608-Y611 AromaticContact CD2-CD2 3.86Å; Y608-Y611 HydrophobicContact CD2-CD2 3.86Å; Y608-Y611 AromaticContact CD2-CE2 3.67Å; Y608-Y611 HydrophobicContact CD2-CE2 3.67Å; Y608-Y611 HydrophobicContact CE2-CE2 4.44Å; Y608-Y611 HydrophobicContact CG-CD2 4.45Å; Y608-Y611 WeakPolarHBondContact O-CB 3.12Å; Y608-Y611 PolarHBondContact O-N 2.88Å; Y608-L612 PolarHBondContact O-N 2.76Å
609	S	82.6	Confident	78.6	Confident	8 Å²	8	15 Å²	15	6%	0.056	9%	0.085	C	C	.	.	H	α-helix	trans	-56.6	-40.1	176.1	175.6	0	0	0	0	111.8	G526 S527 Y611 L612 K613	G526-S609 WeakPolarHBondContact O-CB 3.25Å; S527-S609 PolarHBondContact O-N 3.07Å; S609-Y611 VanDerWaalsContact C-N 3.3Å; S609-Y611 PolarHBondContact O-N 2.63Å; S609-L612 PolarHBondContact O-N 2.93Å; S609-K613 PolarHBondContact O-N 3.18Å
610	H	73	Confident	78.7	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-66.3	-29.9	177.3	73.5	-90.1	0	0	0	113.6	L393 Y608 K613 C614	L393-H610 HydrophobicContact CD2-CB 3.82Å; Y608-H610 WeakPolarHBondContact CB-CE1 3.28Å; Y608-H610 WeakPolarHBondContact CB-ND1 3.31Å; Y608-H610 AromaticContact CD2-CE1 3.69Å; Y608-H610 AromaticContact CG-CE1 3.47Å; Y608-H610 VanDerWaalsContact CG-CE1 3.47Å; Y608-H610 AromaticContact CG-ND1 3.86Å; Y608-H610 PolarHBondContact O-N 3.18Å; H610-K613 PolarHBondContact O-N 2.85Å; H610-C614 PolarHBondContact O-N 3.02Å; H610-C614 PolarHBondContact O-SG 3.25Å
611	Y	76.1	Confident	78.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70.8	-37.7	175	-79.2	-6.8	0	0	0	112.6	R97 P151 G556 Y608 S609 K613 C614 I615 L638	R97-Y611 PolarHBondContact NE-OH 3.22Å; R97-Y611 VanDerWaalsContact NE-OH 3.07Å; R97-Y611 PolarHBondContact NH2-OH 3.06Å; P151-Y611 HydrophobicContact CG-CD1 4.46Å; P151-Y611 HydrophobicContact CG-CE1 3.79Å; G556-Y611 WeakPolarHBondContact O-CD2 3.44Å; Y608-Y611 AromaticContact CD2-CD2 3.86Å; Y608-Y611 HydrophobicContact CD2-CD2 3.86Å; Y608-Y611 AromaticContact CD2-CE2 3.67Å; Y608-Y611 HydrophobicContact CD2-CE2 3.67Å; Y608-Y611 HydrophobicContact CE2-CE2 4.44Å; Y608-Y611 HydrophobicContact CG-CD2 4.45Å; Y608-Y611 WeakPolarHBondContact O-CB 3.12Å; Y608-Y611 PolarHBondContact O-N 2.88Å; S609-Y611 VanDerWaalsContact C-N 3.3Å; S609-Y611 PolarHBondContact O-N 2.63Å; Y611-K613 VanDerWaalsContact C-N 3.31Å; Y611-K613 PolarHBondContact O-N 3.38Å; Y611-C614 WeakPolarHBondContact O-CB 3.25Å; Y611-C614 PolarHBondContact O-N 3.09Å; Y611-C614 VanDerWaalsContact O-N 3.1Å; Y611-I615 PolarHBondContact O-N 2.85Å; Y611-L638 HydrophobicContact CD1-CD2 3.76Å; Y611-L638 HydrophobicContact CD2-CD1 4.46Å; Y611-L638 HydrophobicContact CD2-CD2 4.45Å; Y611-L638 HydrophobicContact CE1-CD2 4.42Å; Y611-L638 HydrophobicContact CG-CD1 4.15Å; Y611-L638 HydrophobicContact CG-CD2 3.79Å; Y611-L638 HydrophobicContact CG-CG 4.43Å
612	L	79.8	Confident	78.9	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-40.7	171.9	-74	-171.7	0	0	0	112.4	I520 L529 I607 Y608 S609 C614 I615 N616 G617 Y618 L630	I520-L612 HydrophobicContact CD1-CD1 3.7Å; I520-L612 HydrophobicContact CG2-CD1 4.17Å; L529-L612 HydrophobicContact CD1-CD1 3.39Å; L529-L612 HydrophobicContact CD1-CG 4.31Å; I607-L612 HydrophobicContact CD1-CD2 3.82Å; I607-L612 HydrophobicContact CD1-CG 4.25Å; I607-L612 HydrophobicContact CG1-CD2 4.42Å; I607-L612 HydrophobicContact CG1-CG 4.35Å; I607-L612 HydrophobicContact CG2-CD1 3.89Å; I607-L612 HydrophobicContact CG2-CD2 3.91Å; I607-L612 HydrophobicContact CG2-CG 3.69Å; Y608-L612 PolarHBondContact O-N 2.76Å; S609-L612 PolarHBondContact O-N 2.93Å; L612-C614 PolarHBondContact O-N 2.81Å; L612-I615 HydrophobicContact CD2-CD1 3.8Å; L612-I615 HydrophobicContact CD2-CG1 4.26Å; L612-I615 WeakPolarHBondContact O-CG1 3.03Å; L612-I615 PolarHBondContact O-N 2.77Å; L612-I615 VanDerWaalsContact O-N 3.12Å; L612-N616 PolarHBondContact O-N 2.8Å; L612-G617 WeakPolarHBondContact O-CA 3.27Å; L612-G617 PolarHBondContact O-N 2.82Å; L612-Y618 HydrophobicContact CD1-CD2 4.43Å; L612-L630 HydrophobicContact CD2-CD1 3.6Å
613	K	73.7	Confident	79.1	Confident	108 Å²	108	21.6 Å²	21.6	47%	0.47	10%	0.104	S	C	.	.	H	α-helix	trans	-60	-33.4	174.9	-66.4	-177.2	-178	-177.3	0	111.7	N397 S609 H610 Y611	N397-K613 PolarHBondContact ND2-NZ 3.44Å; S609-K613 PolarHBondContact O-N 3.18Å; H610-K613 PolarHBondContact O-N 2.85Å; Y611-K613 VanDerWaalsContact C-N 3.31Å; Y611-K613 PolarHBondContact O-N 3.38Å
614	C	65.7	Low	78.6	Confident	28 Å²	28	22.8 Å²	22.8	19%	0.189	11%	0.114	C	C	.	.	H	α-helix	trans	-70.5	-27.7	176.4	-63.7	0	0	0	0	113.9	H610 Y611 L612 L638	H610-C614 PolarHBondContact O-N 3.02Å; H610-C614 PolarHBondContact O-SG 3.25Å; Y611-C614 WeakPolarHBondContact O-CB 3.25Å; Y611-C614 PolarHBondContact O-N 3.09Å; Y611-C614 VanDerWaalsContact O-N 3.1Å; L612-C614 PolarHBondContact O-N 2.81Å; C614-L638 HydrophobicContact CB-CD2 4.11Å
615	I	71.8	Confident	78.1	Confident	10 Å²	10	23.2 Å²	23.2	5%	0.051	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	18.7	-177	63.4	170.7	0	0	0	114.3	Y611 L612 L630 K633 Y637 L638	Y611-I615 PolarHBondContact O-N 2.85Å; L612-I615 HydrophobicContact CD2-CD1 3.8Å; L612-I615 HydrophobicContact CD2-CG1 4.26Å; L612-I615 WeakPolarHBondContact O-CG1 3.03Å; L612-I615 PolarHBondContact O-N 2.77Å; L612-I615 VanDerWaalsContact O-N 3.12Å; I615-L630 HydrophobicContact CD1-CD1 3.53Å; I615-K633 HydrophobicContact CD1-CB 4.18Å; I615-K633 HydrophobicContact CD1-CD 4.44Å; I615-Y637 HydrophobicContact CG2-CD2 3.97Å; I615-Y637 HydrophobicContact CG2-CG 4.21Å; I615-L638 HydrophobicContact CD1-CD1 4.24Å; I615-L638 HydrophobicContact CG2-CD1 3.62Å; I615-L638 HydrophobicContact CG2-CD2 4.23Å; I615-L638 HydrophobicContact CG2-CG 3.76Å
616	N	73.7	Confident	77.5	Confident	95 Å²	95	23.3 Å²	23.3	51%	0.508	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	37.4	-176	-65	-17.3	0	0	0	114.3	R517 L612	R517-N616 VanDerWaalsContact CZ-O 3.26Å; R517-N616 PolarHBondContact NH1-O 2.99Å; R517-N616 PolarHBondContact NH2-O 2.97Å; L612-N616 PolarHBondContact O-N 2.8Å
617	G	79.3	Confident	77.1	Confident	6 Å²	6	23.3 Å²	23.3	6%	0.062	12%	0.116	C	C	.	.	S	Bend	trans	80.8	-178.5	173.4	0	0	0	0	0	114.5	L612	L612-G617 WeakPolarHBondContact O-CA 3.27Å; L612-G617 PolarHBondContact O-N 2.82Å
618	Y	84.9	Confident	76.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-63.8	142.9	-177.5	-157.4	-95.8	0	0	0	111.6	I516 R517 I520 I531 H605 L612 H626 L630	I516-Y618 HydrophobicContact CB-CD1 3.9Å; I516-Y618 HydrophobicContact CB-CE1 3.96Å; I516-Y618 HydrophobicContact CB-CG 4.45Å; I516-Y618 HydrophobicContact CD1-CD1 4.46Å; I516-Y618 HydrophobicContact CD1-CE1 3.68Å; I516-Y618 HydrophobicContact CG1-CE1 4.46Å; I516-Y618 HydrophobicContact CG2-CD1 3.62Å; I516-Y618 HydrophobicContact CG2-CD2 3.92Å; I516-Y618 HydrophobicContact CG2-CE1 3.73Å; I516-Y618 HydrophobicContact CG2-CE2 4Å; I516-Y618 HydrophobicContact CG2-CG 3.73Å; R517-Y618 PolarHBondContact NH1-O 2.87Å; I520-Y618 HydrophobicContact CD1-CD2 3.86Å; I520-Y618 HydrophobicContact CD1-CG 4.05Å; I531-Y618 HydrophobicContact CD1-CD2 4.39Å; I531-Y618 HydrophobicContact CD1-CE2 3.71Å; I531-Y618 HydrophobicContact CG1-CE2 3.8Å; H605-Y618 PolarHBondContact CE1-OH 3.42Å; H605-Y618 AromaticContact NE2-CE2 3.64Å; H605-Y618 AromaticContact NE2-CZ 3.62Å; H605-Y618 PolarHBondContact NE2-OH 2.84Å; L612-Y618 HydrophobicContact CD1-CD2 4.43Å; Y618-H626 HydrophobicContact CE1-CB 3.86Å; Y618-H626 PolarHBondContact OH-CD2 3.4Å; Y618-L630 HydrophobicContact CD2-CD2 4.19Å; Y618-L630 HydrophobicContact CE2-CD2 3.66Å
619	P	82.2	Confident	76.6	Confident	5 Å²	5	24.3 Å²	24.3	3%	0.032	12%	0.122	C	C	.	.			trans	-65.1	145.2	177.7	28.3	-35.9	0	0	0	111.7	G513 S621 H626 D629 L630	G513-P619 CarbonylContact C-O 3.57Å; G513-P619 WeakPolarHBondContact CA-O 3.19Å; P619-S621 VanDerWaalsContact C-N 3.28Å; P619-S621 PolarHBondContact O-N 3.41Å; P619-H626 HydrophobicContact CG-CB 4.26Å; P619-H626 VanDerWaalsContact CG-O 3.24Å; P619-H626 WeakPolarHBondContact CG-O 3.26Å; P619-D629 HydrophobicContact CB-CB 3.92Å; P619-D629 HydrophobicContact CG-CB 4.21Å; P619-L630 HydrophobicContact CG-CB 3.93Å
620	R	78.3	Confident	76.7	Confident	94 Å²	94	24 Å²	24	36%	0.355	12%	0.119	S	C	.	.			trans	-90.1	10.4	-177.8	-61.5	-173.9	-173.2	173.8	1.1	113.5	Y173 S511 E514	Y173-R620 VanDerWaalsContact OH-CZ 3.3Å; Y173-R620 PolarHBondContact OH-NH1 2.86Å; Y173-R620 PolarHBondContact OH-NH2 3.44Å; S511-R620 PolarHBondContact OG-O 2.76Å; E514-R620 HydrophobicContact CG-CB 3.65Å; E514-R620 HydrophobicContact CG-CG 3.72Å
621	S	73.8	Confident	77.1	Confident	6 Å²	6	23.9 Å²	23.9	4%	0.042	12%	0.119	C	C	.	.			trans	-69.3	165.8	-176.5	25.6	0	0	0	0	112.6	G513 P619 H626 D629 E683	G513-S621 PolarHBondContact N-O 3.03Å; P619-S621 VanDerWaalsContact C-N 3.28Å; P619-S621 PolarHBondContact O-N 3.41Å; S621-H626 VanDerWaalsContact OG-CA 3.29Å; S621-H626 WeakPolarHBondContact OG-CA 3.4Å; S621-D629 WeakPolarHBondContact CB-OD2 3.36Å; S621-D629 PolarHBondContact OG-OD2 3.08Å; S621-E683 VanDerWaalsContact CA-OE1 3.29Å; S621-E683 WeakPolarHBondContact CA-OE1 3.42Å; S621-E683 WeakPolarHBondContact CB-OE1 3.38Å
622	C	72.2	Confident	77	Confident	16 Å²	16	25.6 Å²	25.6	11%	0.108	13%	0.127	C	C	.	.			trans	-67.1	169.8	178.8	77.8	0	0	0	0	112.1	D415 D416 A624 F625 H626 E683	D415-C622 HydrophobicContact CB-CB 4.3Å; D416-C622 WeakPolarHBondContact OD1-CA 3.42Å; D416-C622 WeakPolarHBondContact OD1-CB 3.39Å; C622-A624 PolarHBondContact O-N 2.82Å; C622-A624 VanDerWaalsContact O-N 3.08Å; C622-F625 PolarHBondContact O-N 3.08Å; C622-F625 WeakPolarHBondContact SG-CD2 3.46Å; C622-H626 PolarHBondContact O-N 2.93Å; C622-H626 PolarHBondContact O-ND1 3.4Å; C622-E683 PolarHBondContact N-OE1 3.49Å
623	R	74	Confident	76.8	Confident	64 Å²	64	28.3 Å²	28.3	24%	0.242	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-41.2	-179.9	-173	-178.4	176.7	-174.3	-0.4	113.5	D416 D422 E533 H626	D416-R623 WeakPolarHBondContact OD1-CB 3.09Å; D416-R623 PolarHBondContact OD1-N 3.08Å; D422-R623 IonicContact OD2-NH1 2.91Å; D422-R623 PolarHBondContact OD2-NH1 2.82Å; E533-R623 WeakPolarHBondContact OE1-CG 3.31Å; E533-R623 IonicContact OE1-CZ 2.95Å; E533-R623 IonicContact OE1-NE 3.86Å; E533-R623 PolarHBondContact OE1-NE 2.97Å; E533-R623 IonicContact OE1-NH2 2.66Å; E533-R623 IonicContact OE2-CZ 3.57Å; E533-R623 IonicContact OE2-NE 3.96Å; E533-R623 PolarHBondContact OE2-NE 3.15Å; E533-R623 IonicContact OE2-NH2 3.17Å; E533-R623 PolarHBondContact OE2-NH2 3.06Å; R623-H626 WeakPolarHBondContact CA-ND1 3.46Å; R623-H626 PolarHBondContact O-CE1 3.35Å; R623-H626 PolarHBondContact O-ND1 3.21Å
624	A	69.3	Low	76.7	Confident	26 Å²	26	23.1 Å²	23.1	22%	0.215	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.9	-176.7	0	0	0	0	0	113.9	A601 C622	A601-A624 HydrophobicContact CB-CB 4.47Å; C622-A624 PolarHBondContact O-N 2.82Å; C622-A624 VanDerWaalsContact O-N 3.08Å
625	F	75.3	Confident	77	Confident	12 Å²	12	24.6 Å²	24.6	5%	0.053	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-17.9	-168.9	-58.6	-56.8	0	0	0	114.6	C622 A627 I628 D629 L673 R677 E683 L686	C622-F625 PolarHBondContact O-N 3.08Å; C622-F625 WeakPolarHBondContact SG-CD2 3.46Å; F625-A627 VanDerWaalsContact C-N 3.27Å; F625-A627 PolarHBondContact O-N 2.77Å; F625-I628 HydrophobicContact CD1-CD1 4.21Å; F625-I628 PolarHBondContact O-N 3.34Å; F625-D629 WeakPolarHBondContact O-CB 3.32Å; F625-D629 PolarHBondContact O-N 3.31Å; F625-L673 HydrophobicContact CE1-CB 4.45Å; F625-L673 HydrophobicContact CE1-CD2 4.16Å; F625-L673 HydrophobicContact CZ-CD2 4.11Å; F625-R677 HydrophobicContact CD1-CB 4.22Å; F625-R677 HydrophobicContact CD1-CG 4.01Å; F625-R677 HydrophobicContact CE1-CB 4.36Å; F625-E683 HydrophobicContact CD2-CB 4.27Å; F625-E683 HydrophobicContact CD2-CG 3.64Å; F625-E683 HydrophobicContact CE2-CB 4.24Å; F625-E683 HydrophobicContact CE2-CG 4.08Å; F625-E683 HydrophobicContact CG-CG 4.42Å; F625-L686 HydrophobicContact CE1-CD1 3.55Å; F625-L686 HydrophobicContact CE2-CD1 4.39Å; F625-L686 HydrophobicContact CZ-CB 3.98Å; F625-L686 HydrophobicContact CZ-CD1 3.46Å; F625-L686 VanDerWaalsContact CZ-CD1 3.46Å; F625-L686 HydrophobicContact CZ-CG 4.31Å
626	H	79.9	Confident	76.6	Confident	5 Å²	5	28.4 Å²	28.4	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-38	-175.5	62.1	-121.1	0	0	0	113.4	Y618 P619 S621 C622 R623 L630	Y618-H626 HydrophobicContact CE1-CB 3.86Å; Y618-H626 PolarHBondContact OH-CD2 3.4Å; P619-H626 HydrophobicContact CG-CB 4.26Å; P619-H626 VanDerWaalsContact CG-O 3.24Å; P619-H626 WeakPolarHBondContact CG-O 3.26Å; S621-H626 VanDerWaalsContact OG-CA 3.29Å; S621-H626 WeakPolarHBondContact OG-CA 3.4Å; C622-H626 PolarHBondContact O-N 2.93Å; C622-H626 PolarHBondContact O-ND1 3.4Å; R623-H626 WeakPolarHBondContact CA-ND1 3.46Å; R623-H626 PolarHBondContact O-CE1 3.35Å; R623-H626 PolarHBondContact O-ND1 3.21Å; H626-L630 VanDerWaalsContact O-CB 3.24Å; H626-L630 WeakPolarHBondContact O-CB 3.43Å; H626-L630 PolarHBondContact O-N 3.48Å
627	A	82.7	Confident	76.1	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.6	-37.8	179.7	0	0	0	0	0	111.1	P599 F625 A631	P599-A627 HydrophobicContact CG-CB 3.97Å; P599-A627 WeakPolarHBondContact CG-O 3.32Å; F625-A627 VanDerWaalsContact C-N 3.27Å; F625-A627 PolarHBondContact O-N 2.77Å; A627-A631 VanDerWaalsContact O-CB 3.29Å; A627-A631 WeakPolarHBondContact O-CB 3.35Å; A627-A631 PolarHBondContact O-N 3.37Å
628	I	79.7	Confident	75.3	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-68.5	-46.9	177	-63.4	162.3	0	0	0	110.1	V598 P599 F625 L630 A631 L632 R677	V598-I628 HydrophobicContact CG1-CB 4.2Å; V598-I628 HydrophobicContact CG1-CG1 3.87Å; V598-I628 HydrophobicContact CG1-CG2 3.8Å; P599-I628 WeakPolarHBondContact O-CG1 3.05Å; F625-I628 HydrophobicContact CD1-CD1 4.21Å; F625-I628 PolarHBondContact O-N 3.34Å; I628-L630 VanDerWaalsContact C-N 3.32Å; I628-L630 PolarHBondContact O-N 3.34Å; I628-A631 WeakPolarHBondContact O-CB 3.22Å; I628-A631 PolarHBondContact O-N 3.11Å; I628-L632 HydrophobicContact CG2-CD1 4Å; I628-L632 HydrophobicContact CG2-CG 4.31Å; I628-L632 WeakPolarHBondContact O-CB 3.3Å; I628-L632 VanDerWaalsContact O-CG 3.28Å; I628-L632 WeakPolarHBondContact O-CG 3.49Å; I628-L632 PolarHBondContact O-N 3Å; I628-R677 HydrophobicContact CG2-CB 4.08Å; I628-R677 HydrophobicContact CG2-CG 3.7Å
629	D	80.9	Confident	74.3	Confident	22 Å²	22	27.8 Å²	27.8	12%	0.118	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-36.8	179.8	-73.1	-10.4	0	0	0	111.4	P619 S621 F625 K633 R677	P619-D629 HydrophobicContact CB-CB 3.92Å; P619-D629 HydrophobicContact CG-CB 4.21Å; S621-D629 WeakPolarHBondContact CB-OD2 3.36Å; S621-D629 PolarHBondContact OG-OD2 3.08Å; F625-D629 WeakPolarHBondContact O-CB 3.32Å; F625-D629 PolarHBondContact O-N 3.31Å; D629-K633 WeakPolarHBondContact O-CB 3.45Å; D629-K633 WeakPolarHBondContact O-CG 3.11Å; D629-K633 PolarHBondContact O-N 2.88Å; D629-R677 IonicContact OD1-CZ 2.89Å; D629-R677 IonicContact OD1-NE 3.81Å; D629-R677 PolarHBondContact OD1-NE 3.35Å; D629-R677 IonicContact OD1-NH2 3.98Å; D629-R677 PolarHBondContact OD1-NH2 3.39Å; D629-R677 IonicContact OD2-CZ 2.87Å; D629-R677 IonicContact OD2-NE 3.88Å; D629-R677 IonicContact OD2-NH2 3.84Å; D629-R677 PolarHBondContact OD2-NH2 2.91Å
630	L	83.9	Confident	73.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-43.9	172.4	-177.3	65.5	0	0	0	110.9	M557 I607 L612 I615 Y618 P619 H626 I628 K633 S634	M557-L630 HydrophobicContact CE-CB 4.4Å; M557-L630 HydrophobicContact CE-CD2 3.82Å; M557-L630 HydrophobicContact CE-CG 4.16Å; M557-L630 HydrophobicContact SD-CB 4.31Å; M557-L630 HydrophobicContact SD-CD2 3.87Å; M557-L630 HydrophobicContact SD-CG 3.74Å; I607-L630 HydrophobicContact CD1-CD1 4.39Å; L612-L630 HydrophobicContact CD2-CD1 3.6Å; I615-L630 HydrophobicContact CD1-CD1 3.53Å; Y618-L630 HydrophobicContact CD2-CD2 4.19Å; Y618-L630 HydrophobicContact CE2-CD2 3.66Å; P619-L630 HydrophobicContact CG-CB 3.93Å; H626-L630 VanDerWaalsContact O-CB 3.24Å; H626-L630 WeakPolarHBondContact O-CB 3.43Å; H626-L630 PolarHBondContact O-N 3.48Å; I628-L630 VanDerWaalsContact C-N 3.32Å; I628-L630 PolarHBondContact O-N 3.34Å; L630-K633 PolarHBondContact O-N 2.88Å; L630-S634 VanDerWaalsContact O-CB 3.31Å; L630-S634 WeakPolarHBondContact O-CB 3.38Å; L630-S634 PolarHBondContact O-N 2.74Å; L630-S634 PolarHBondContact O-OG 2.89Å
631	A	81.1	Confident	73.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-43.1	176.6	0	0	0	0	0	111.8	M557 P599 A627 I628 S634 H635 V641	M557-A631 HydrophobicContact CE-CB 4.44Å; M557-A631 HydrophobicContact SD-CB 4.09Å; P599-A631 HydrophobicContact CG-CB 4.01Å; A627-A631 VanDerWaalsContact O-CB 3.29Å; A627-A631 WeakPolarHBondContact O-CB 3.35Å; A627-A631 PolarHBondContact O-N 3.37Å; I628-A631 WeakPolarHBondContact O-CB 3.22Å; I628-A631 PolarHBondContact O-N 3.11Å; A631-S634 PolarHBondContact O-N 3.44Å; A631-H635 WeakPolarHBondContact O-CB 3.15Å; A631-H635 PolarHBondContact O-CD2 3.38Å; A631-H635 PolarHBondContact O-N 3.27Å; A631-V641 HydrophobicContact CB-CG2 3.93Å
632	L	75.5	Confident	73.4	Confident	35 Å²	35	26 Å²	26	18%	0.183	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-44.4	175.5	-72.7	173.8	0	0	0	111.7	I628 S634 Q636 Y678	I628-L632 HydrophobicContact CG2-CD1 4Å; I628-L632 HydrophobicContact CG2-CG 4.31Å; I628-L632 WeakPolarHBondContact O-CB 3.3Å; I628-L632 VanDerWaalsContact O-CG 3.28Å; I628-L632 WeakPolarHBondContact O-CG 3.49Å; I628-L632 PolarHBondContact O-N 3Å; L632-S634 VanDerWaalsContact C-N 3.34Å; L632-Q636 WeakPolarHBondContact O-CB 3.38Å; L632-Q636 WeakPolarHBondContact O-CG 3.4Å; L632-Q636 PolarHBondContact O-N 2.79Å; L632-Y678 HydrophobicContact CD2-CD2 3.74Å; L632-Y678 HydrophobicContact CD2-CE2 4.2Å
633	K	75	Confident	73.7	Confident	60 Å²	60	25.3 Å²	25.3	26%	0.261	12%	0.121	S	C	.	.	H	α-helix	trans	-63.9	-40.3	173.4	-75.6	-179.8	178.3	-173.1	0	111.8	I615 D629 L630 Q636 Y637	I615-K633 HydrophobicContact CD1-CB 4.18Å; I615-K633 HydrophobicContact CD1-CD 4.44Å; D629-K633 WeakPolarHBondContact O-CB 3.45Å; D629-K633 WeakPolarHBondContact O-CG 3.11Å; D629-K633 PolarHBondContact O-N 2.88Å; L630-K633 PolarHBondContact O-N 2.88Å; K633-Q636 PolarHBondContact O-N 2.87Å; K633-Q636 VanDerWaalsContact O-N 3.17Å; K633-Y637 HydrophobicContact CB-CD2 4.49Å; K633-Y637 WeakPolarHBondContact O-CD2 3.24Å; K633-Y637 PolarHBondContact O-N 3.22Å
634	S	72.8	Confident	73.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.9	-48.4	178.6	-59	0	0	0	0	110.4	L630 A631 L632 Q636 Y637 L638 G639	L630-S634 VanDerWaalsContact O-CB 3.31Å; L630-S634 WeakPolarHBondContact O-CB 3.38Å; L630-S634 PolarHBondContact O-N 2.74Å; L630-S634 PolarHBondContact O-OG 2.89Å; A631-S634 PolarHBondContact O-N 3.44Å; L632-S634 VanDerWaalsContact C-N 3.34Å; S634-Q636 PolarHBondContact O-N 3.13Å; S634-Y637 PolarHBondContact O-N 2.76Å; S634-L638 CarbonylContact O-C 3.57Å; S634-L638 WeakPolarHBondContact O-CA 3.27Å; S634-L638 PolarHBondContact O-N 2.84Å; S634-G639 CarbonylContact C-O 3.49Å; S634-G639 PolarHBondContact O-N 3.4Å
635	H	70.2	Confident	73.2	Confident	58 Å²	58	28.3 Å²	28.3	27%	0.269	13%	0.127	S	C	.	.	H	α-helix	trans	-56.7	-34.9	172.1	-77.9	-61.4	0	0	0	113	G597 A631 G639 V641	G597-H635 PolarHBondContact O-NE2 3.22Å; A631-H635 WeakPolarHBondContact O-CB 3.15Å; A631-H635 PolarHBondContact O-CD2 3.38Å; A631-H635 PolarHBondContact O-N 3.27Å; H635-G639 VanDerWaalsContact CA-O 3.29Å; H635-G639 WeakPolarHBondContact CA-O 3.03Å; H635-G639 PolarHBondContact N-O 3.44Å; H635-V641 PolarHBondContact CE1-N 3.37Å; H635-V641 VanDerWaalsContact NE2-CG2 3.33Å; H635-V641 WeakPolarHBondContact NE2-CG2 3.31Å
636	Q	64.8	Low	72.2	Confident	91 Å²	91	30.3 Å²	30.3	43%	0.425	14%	0.143	S	C	.	.	H	α-helix	trans	-75.8	-29.7	179.7	-77.6	175	14.7	0	0	114.6	L202 L632 K633 S634	L202-Q636 WeakPolarHBondContact CD1-O 3.23Å; L202-Q636 VanDerWaalsContact CD2-O 3.28Å; L202-Q636 WeakPolarHBondContact CD2-O 3.39Å; L202-Q636 WeakPolarHBondContact CG-O 3.29Å; L632-Q636 WeakPolarHBondContact O-CB 3.38Å; L632-Q636 WeakPolarHBondContact O-CG 3.4Å; L632-Q636 PolarHBondContact O-N 2.79Å; K633-Q636 PolarHBondContact O-N 2.87Å; K633-Q636 VanDerWaalsContact O-N 3.17Å; S634-Q636 PolarHBondContact O-N 3.13Å
637	Y	63.4	Low	70.7	Confident	85 Å²	85	41.9 Å²	41.9	33%	0.333	19%	0.186	S	C	.	.	H	α-helix	trans	-131.5	-21.1	-168	-60.7	-69.1	0	0	0	115.4	R205 I615 K633 S634	R205-Y637 PolarHBondContact NH1-OH 2.92Å; I615-Y637 HydrophobicContact CG2-CD2 3.97Å; I615-Y637 HydrophobicContact CG2-CG 4.21Å; K633-Y637 HydrophobicContact CB-CD2 4.49Å; K633-Y637 WeakPolarHBondContact O-CD2 3.24Å; K633-Y637 PolarHBondContact O-N 3.22Å; S634-Y637 PolarHBondContact O-N 2.76Å
638	L	62.4	Low	69.1	Low	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-12.4	-166.2	-57.4	170.4	0	0	0	113.4	V149 P151 G556 I607 Y611 C614 I615 S634	V149-L638 WeakPolarHBondContact CB-O 3.29Å; V149-L638 WeakPolarHBondContact CG1-O 3.5Å; V149-L638 WeakPolarHBondContact CG2-O 3.16Å; P151-L638 HydrophobicContact CB-CD2 4.35Å; G556-L638 WeakPolarHBondContact CA-O 3.31Å; G556-L638 PolarHBondContact N-O 2.85Å; I607-L638 HydrophobicContact CD1-CD1 3.87Å; Y611-L638 HydrophobicContact CD1-CD2 3.76Å; Y611-L638 HydrophobicContact CD2-CD1 4.46Å; Y611-L638 HydrophobicContact CD2-CD2 4.45Å; Y611-L638 HydrophobicContact CE1-CD2 4.42Å; Y611-L638 HydrophobicContact CG-CD1 4.15Å; Y611-L638 HydrophobicContact CG-CD2 3.79Å; Y611-L638 HydrophobicContact CG-CG 4.43Å; C614-L638 HydrophobicContact CB-CD2 4.11Å; I615-L638 HydrophobicContact CD1-CD1 4.24Å; I615-L638 HydrophobicContact CG2-CD1 3.62Å; I615-L638 HydrophobicContact CG2-CD2 4.23Å; I615-L638 HydrophobicContact CG2-CG 3.76Å; S634-L638 CarbonylContact O-C 3.57Å; S634-L638 WeakPolarHBondContact O-CA 3.27Å; S634-L638 PolarHBondContact O-N 2.84Å
639	G	63.2	Low	68	Low	3 Å²	3	47.3 Å²	47.3	3%	0.031	22%	0.22	C	C	.	.			trans	111	-160.3	176.6	0	0	0	0	0	118.5	S634 H635	S634-G639 CarbonylContact C-O 3.49Å; S634-G639 PolarHBondContact O-N 3.4Å; H635-G639 VanDerWaalsContact CA-O 3.29Å; H635-G639 WeakPolarHBondContact CA-O 3.03Å; H635-G639 PolarHBondContact N-O 3.44Å
640	D	65	Low	67.5	Low	37 Å²	37	47.2 Å²	47.2	20%	0.198	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.9	-174.1	-71.2	-8.4	0	0	0	110.3	K145 G554 V555 G556 I642	K145-D640 WeakPolarHBondContact CD-OD2 3.5Å; K145-D640 WeakPolarHBondContact CE-OD2 3.49Å; K145-D640 IonicContact NZ-OD2 3.78Å; K145-D640 PolarHBondContact NZ-OD2 2.88Å; G554-D640 PolarHBondContact O-N 3.45Å; V555-D640 WeakPolarHBondContact CA-O 3.29Å; G556-D640 PolarHBondContact N-O 3.35Å; D640-I642 HydrophobicContact CB-CG1 4.22Å
641	V	73.3	Confident	66.9	Low	11 Å²	11	47.2 Å²	47.2	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.8	166.7	-177.3	0	0	0	0	108	M557 G597 A631 H635	M557-V641 HydrophobicContact CB-CG1 4.39Å; M557-V641 HydrophobicContact CB-CG2 4.18Å; M557-V641 HydrophobicContact CG-CG1 4.19Å; M557-V641 CarbonylContact O-C 3.52Å; M557-V641 VanDerWaalsContact O-CA 3.24Å; M557-V641 WeakPolarHBondContact O-CA 3.17Å; M557-V641 HydrophobicContact SD-CG1 4.24Å; M557-V641 HydrophobicContact SD-CG2 4.27Å; G597-V641 WeakPolarHBondContact O-CB 3.02Å; G597-V641 WeakPolarHBondContact O-CG1 3.49Å; G597-V641 WeakPolarHBondContact O-CG2 3.41Å; A631-V641 HydrophobicContact CB-CG2 3.93Å; H635-V641 PolarHBondContact CE1-N 3.37Å; H635-V641 VanDerWaalsContact NE2-CG2 3.33Å; H635-V641 WeakPolarHBondContact NE2-CG2 3.31Å
642	I	76.1	Confident	66.4	Low	18 Å²	18	47.3 Å²	47.3	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.4	-175.2	-64.1	-164.6	0	0	0	111.5	T549 V555 M557 G558 C559 D640	T549-I642 HydrophobicContact CG2-CB 4.39Å; T549-I642 HydrophobicContact CG2-CG2 4.17Å; V555-I642 HydrophobicContact CG2-CB 4.13Å; V555-I642 HydrophobicContact CG2-CD1 3.29Å; V555-I642 HydrophobicContact CG2-CG1 3.69Å; M557-I642 PolarHBondContact O-N 2.88Å; G558-I642 CarbonylContact C-O 3.22Å; G558-I642 WeakPolarHBondContact CA-O 3.26Å; C559-I642 PolarHBondContact N-O 3.36Å; D640-I642 HydrophobicContact CB-CG1 4.22Å
643	C	78.7	Confident	66.4	Low	3 Å²	3	46.2 Å²	46.2	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.2	168.6	-171.5	0	0	0	0	111.2	C559 A561 T593 N594 R645	C559-C643 CarbonylContact O-C 2.86Å; C559-C643 VanDerWaalsContact O-CA 3.29Å; C559-C643 WeakPolarHBondContact O-CA 3.46Å; A561-C643 WeakPolarHBondContact CA-SG 3.49Å; T593-C643 HydrophobicContact CG2-CB 4.34Å; N594-C643 WeakPolarHBondContact OD1-CB 3.25Å; C643-R645 PolarHBondContact O-N 3.06Å
644	T	73.8	Confident	66.1	Low	6 Å²	6	45.1 Å²	45.1	4%	0.037	22%	0.217	C	C	.	.			trans	-58.4	133.1	171.2	60.3	0	0	0	0	109.7	C559 F560 A561 F606 S649	C559-T644 PolarHBondContact O-N 3.39Å; F560-T644 WeakPolarHBondContact CA-OG1 3.32Å; F560-T644 HydrophobicContact CD1-CG2 4.03Å; A561-T644 PolarHBondContact N-OG1 3.39Å; F606-T644 HydrophobicContact CE1-CG2 3.89Å; F606-T644 HydrophobicContact CZ-CG2 3.78Å; T644-S649 VanDerWaalsContact CB-OG 3.23Å; T644-S649 WeakPolarHBondContact CB-OG 3.48Å; T644-S649 PolarHBondContact OG1-O 3.43Å; T644-S649 VanDerWaalsContact OG1-O 3.11Å; T644-S649 PolarHBondContact OG1-OG 2.83Å; T644-S649 VanDerWaalsContact OG1-OG 3.07Å
645	R	59.8	Low	65.7	Low	146 Å²	146	45.1 Å²	45.1	55%	0.551	22%	0.217	S	C	*	.			trans	-90.5	-21.7	-167.7	-78.1	-172.8	174.4	172.3	2	115	Y141 C643	Y141-R645 PolarHBondContact OH-NH1 2.89Å; Y141-R645 PolarHBondContact OH-NH2 2.86Å; C643-R645 PolarHBondContact O-N 3.06Å
646	S	54.9	Low	65.4	Low	54 Å²	54	44.6 Å²	44.6	38%	0.378	22%	0.216	S	C	.	.			trans	-80.4	135.2	-172.9	70.3	0	0	0	0	109.6	T648 S649	S646-T648 WeakPolarHBondContact CB-OG1 3.28Å; S646-T648 PolarHBondContact O-N 3.05Å; S646-T648 VanDerWaalsContact O-N 3.08Å; S646-T648 PolarHBondContact OG-OG1 3.3Å; S646-T648 VanDerWaalsContact OG-OG1 3.06Å; S646-S649 PolarHBondContact N-OG 3.49Å; S646-S649 WeakPolarHBondContact O-CA 3.34Å; S646-S649 PolarHBondContact O-N 3.25Å; S646-S649 PolarHBondContact O-OG 3.31Å; S646-S649 WeakPolarHBondContact OG-CB 3.15Å; S646-S649 PolarHBondContact OG-N 3.2Å; S646-S649 VanDerWaalsContact OG-N 3.15Å; S646-S649 PolarHBondContact OG-OG 2.94Å
647	R	47.1	Very low	65.3	Low	249 Å²	249	44 Å²	44	94%	0.94	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-56.1	-22.6	170.7	-69.4	-179	177.9	176.1	-0.6	112.2
648	T	49.1	Very low	65.3	Low	111 Å²	111	40 Å²	40	68%	0.681	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-83	-9.9	174.4	53.6	0	0	0	0	113.9	P539 S646	P539-T648 WeakPolarHBondContact CB-O 3.29Å; S646-T648 WeakPolarHBondContact CB-OG1 3.28Å; S646-T648 PolarHBondContact O-N 3.05Å; S646-T648 VanDerWaalsContact O-N 3.08Å; S646-T648 PolarHBondContact OG-OG1 3.3Å; S646-T648 VanDerWaalsContact OG-OG1 3.06Å
649	S	58	Low	65.5	Low	4 Å²	4	42.4 Å²	42.4	3%	0.028	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-105.2	19.9	-179.2	66.1	0	0	0	0	113.9	T644 S646	T644-S649 VanDerWaalsContact CB-OG 3.23Å; T644-S649 WeakPolarHBondContact CB-OG 3.48Å; T644-S649 PolarHBondContact OG1-O 3.43Å; T644-S649 VanDerWaalsContact OG1-O 3.11Å; T644-S649 PolarHBondContact OG1-OG 2.83Å; T644-S649 VanDerWaalsContact OG1-OG 3.07Å; S646-S649 PolarHBondContact N-OG 3.49Å; S646-S649 WeakPolarHBondContact O-CA 3.34Å; S646-S649 PolarHBondContact O-N 3.25Å; S646-S649 PolarHBondContact O-OG 3.31Å; S646-S649 WeakPolarHBondContact OG-CB 3.15Å; S646-S649 PolarHBondContact OG-N 3.2Å; S646-S649 VanDerWaalsContact OG-N 3.15Å; S646-S649 PolarHBondContact OG-OG 2.94Å
650	A	69	Low	65.5	Low	20 Å²	20	46.6 Å²	46.6	17%	0.165	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.5	176.4	0	0	0	0	0	110.1	A561 R563	A561-A650 HydrophobicContact CB-CB 3.92Å; A561-A650 CarbonylContact O-C 3.2Å; A561-A650 WeakPolarHBondContact O-CA 3.38Å; A561-A650 WeakPolarHBondContact O-CB 3.12Å; R563-A650 HydrophobicContact CB-CB 3.98Å
651	A	72.5	Confident	65.5	Low	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.2	173.6	0	0	0	0	0	109.8	V536 Q537 L538 F560 A561 R563 P604 V653	V536-A651 HydrophobicContact CG1-CB 4.16Å; Q537-A651 CarbonylContact O-C 3.38Å; Q537-A651 WeakPolarHBondContact O-CA 3.21Å; L538-A651 HydrophobicContact CD2-CB 4.37Å; F560-A651 HydrophobicContact CB-CB 3.69Å; F560-A651 HydrophobicContact CG-CB 4.2Å; A561-A651 PolarHBondContact O-N 3.28Å; R563-A651 WeakPolarHBondContact CB-O 3.22Å; R563-A651 PolarHBondContact N-O 3.02Å; P604-A651 HydrophobicContact CG-CB 3.42Å; P604-A651 VanDerWaalsContact CG-CB 3.42Å; A651-V653 PolarHBondContact O-N 3.26Å
652	G	70.5	Confident	65.2	Low	3 Å²	3	48.8 Å²	48.8	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.4	173.5	0	0	0	0	0	109.8	V536 Q537 R563	V536-G652 CarbonylContact C-O 3.46Å; V536-G652 VanDerWaalsContact CA-O 3.29Å; V536-G652 WeakPolarHBondContact CA-O 3.22Å; Q537-G652 PolarHBondContact N-O 3Å; Q537-G652 PolarHBondContact O-N 3.48Å; R563-G652 CarbonylContact O-C 3.43Å; R563-G652 VanDerWaalsContact O-CA 3.29Å; R563-G652 WeakPolarHBondContact O-CA 3.18Å
653	V	73.8	Confident	64.9	Low	11 Å²	11	48.2 Å²	48.2	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.9	173	-179.1	0	0	0	0	107.9	Y562 R563 H565 A651 A655	Y562-V653 HydrophobicContact CD2-CB 4.35Å; Y562-V653 HydrophobicContact CD2-CG2 3.78Å; Y562-V653 HydrophobicContact CE2-CB 3.79Å; Y562-V653 HydrophobicContact CE2-CG1 3.92Å; Y562-V653 HydrophobicContact CE2-CG2 3.66Å; R563-V653 PolarHBondContact O-N 3.38Å; H565-V653 PolarHBondContact N-O 3.47Å; A651-V653 PolarHBondContact O-N 3.26Å; V653-A655 PolarHBondContact O-N 2.86Å
654	P	69	Low	64.5	Low	37 Å²	37	52 Å²	52	24%	0.24	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	133.4	-178.5	19.9	-29.7	0	0	0	111.1	H565 D656	H565-P654 CarbonylContact O-C 3.41Å; H565-P654 WeakPolarHBondContact O-CA 3.33Å; P654-D656 VanDerWaalsContact C-N 3.31Å; P654-D656 PolarHBondContact O-N 3.18Å
655	A	65.1	Low	64.2	Low	1 Å²	1	53.8 Å²	53.8	1%	0.008	26%	0.263	C	S	.	.			trans	-90.7	17.9	-171.4	0	0	0	0	0	113.4	L564 H565 L566 W578 V653 Y657 A658 L659	L564-A655 HydrophobicContact CB-CB 4.22Å; L564-A655 HydrophobicContact CD2-CB 4.01Å; H565-A655 WeakPolarHBondContact O-CB 3.25Å; H565-A655 PolarHBondContact O-N 3.4Å; L566-A655 HydrophobicContact CD2-CB 4.04Å; L566-A655 HydrophobicContact CG-CB 4.27Å; W578-A655 HydrophobicContact CZ2-CB 4.38Å; V653-A655 PolarHBondContact O-N 2.86Å; A655-Y657 PolarHBondContact O-N 3.11Å; A655-A658 HydrophobicContact CB-CB 4.31Å; A655-A658 CarbonylContact O-C 3.55Å; A655-A658 WeakPolarHBondContact O-CA 3.39Å; A655-A658 WeakPolarHBondContact O-CB 3.21Å; A655-A658 PolarHBondContact O-N 3.21Å; A655-L659 PolarHBondContact O-N 3.49Å
656	D	64.7	Low	64.6	Low	47 Å²	47	47.2 Å²	47.2	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-43.5	-170.8	-57.8	-37.5	0	0	0	112.6	P654 A658 L659 R660	P654-D656 VanDerWaalsContact C-N 3.31Å; P654-D656 PolarHBondContact O-N 3.18Å; D656-A658 VanDerWaalsContact C-N 3.29Å; D656-A658 PolarHBondContact O-N 3.41Å; D656-L659 WeakPolarHBondContact O-CB 3.34Å; D656-L659 PolarHBondContact O-N 3.26Å; D656-R660 PolarHBondContact O-N 3.1Å
657	Y	61.2	Low	65.3	Low	78 Å²	78	44.9 Å²	44.9	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-35.2	173.8	-169.3	-90.7	0	0	0	112.1	A655 L659 R660 H661 T666 Y669	A655-Y657 PolarHBondContact O-N 3.11Å; Y657-L659 VanDerWaalsContact C-N 3.34Å; Y657-R660 PolarHBondContact O-N 3.28Å; Y657-H661 AromaticContact CD2-CD2 3.64Å; Y657-H661 HydrophobicContact CE1-CB 4.17Å; Y657-H661 AromaticContact CE1-CD2 3.72Å; Y657-H661 AromaticContact CE2-CD2 3.29Å; Y657-H661 WeakPolarHBondContact CE2-CD2 3.33Å; Y657-H661 AromaticContact CE2-NE2 3.54Å; Y657-H661 AromaticContact CG-CD2 3.99Å; Y657-H661 AromaticContact CZ-CD2 3.34Å; Y657-H661 AromaticContact CZ-CG 3.94Å; Y657-H661 AromaticContact CZ-NE2 3.88Å; Y657-H661 PolarHBondContact O-N 2.95Å; Y657-T666 HydrophobicContact CD1-CG2 3.56Å; Y657-T666 VanDerWaalsContact CD1-OG1 3.26Å; Y657-T666 WeakPolarHBondContact CD1-OG1 3.08Å; Y657-T666 HydrophobicContact CE1-CG2 4.19Å; Y657-Y669 HydrophobicContact CE1-CD1 4.4Å
658	A	64.8	Low	66.4	Low	2 Å²	2	35 Å²	35	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-72.2	-25.7	176.3	0	0	0	0	0	113.4	L564 A655 D656 G662 V663 T666	L564-A658 HydrophobicContact CD1-CB 4.41Å; L564-A658 HydrophobicContact CD2-CB 4.26Å; A655-A658 HydrophobicContact CB-CB 4.31Å; A655-A658 CarbonylContact O-C 3.55Å; A655-A658 WeakPolarHBondContact O-CA 3.39Å; A655-A658 WeakPolarHBondContact O-CB 3.21Å; A655-A658 PolarHBondContact O-N 3.21Å; D656-A658 VanDerWaalsContact C-N 3.29Å; D656-A658 PolarHBondContact O-N 3.41Å; A658-G662 CarbonylContact O-C 3.49Å; A658-G662 WeakPolarHBondContact O-CA 3.2Å; A658-G662 PolarHBondContact O-N 3.19Å; A658-G662 VanDerWaalsContact O-N 3.11Å; A658-V663 HydrophobicContact CB-CG2 4.25Å; A658-V663 PolarHBondContact O-N 3.39Å; A658-T666 VanDerWaalsContact CA-OG1 3.25Å; A658-T666 WeakPolarHBondContact CA-OG1 3.37Å; A658-T666 HydrophobicContact CB-CG2 4.33Å
659	L	65.3	Low	67.3	Low	50 Å²	50	33.4 Å²	33.4	26%	0.262	17%	0.17	S	C	.	.	H	α-helix	trans	-66.6	-44.4	169.1	-76.2	176.1	0	0	0	111.2	L566 Y570 W578 A655 D656 Y657	L566-L659 HydrophobicContact CD2-CD1 3.45Å; L566-L659 VanDerWaalsContact CD2-CD1 3.45Å; L566-L659 HydrophobicContact CD2-CD2 3.48Å; L566-L659 VanDerWaalsContact CD2-CD2 3.48Å; L566-L659 HydrophobicContact CD2-CG 3.49Å; L566-L659 VanDerWaalsContact CD2-CG 3.49Å; Y570-L659 HydrophobicContact CD1-CD1 3.75Å; Y570-L659 HydrophobicContact CD2-CD1 3.77Å; Y570-L659 HydrophobicContact CE1-CD1 3.8Å; Y570-L659 HydrophobicContact CE2-CD1 3.83Å; Y570-L659 HydrophobicContact CG-CD1 3.74Å; W578-L659 HydrophobicContact CZ2-CD2 4.41Å; A655-L659 PolarHBondContact O-N 3.49Å; D656-L659 WeakPolarHBondContact O-CB 3.34Å; D656-L659 PolarHBondContact O-N 3.26Å; Y657-L659 VanDerWaalsContact C-N 3.34Å
660	R	63.1	Low	67.8	Low	91 Å²	91	33.9 Å²	33.9	34%	0.343	17%	0.173	S	C	.	.	H	α-helix	trans	-75.7	-50	-175.8	-63.8	-162.2	-159.5	129.8	12.9	113.6	D419 E421 D656 Y657	D419-R660 VanDerWaalsContact CG-NH1 3.35Å; D419-R660 IonicContact OD2-CZ 3.25Å; D419-R660 IonicContact OD2-NH1 2.86Å; D419-R660 PolarHBondContact OD2-NH1 3.07Å; E421-R660 IonicContact OE2-CZ 2.79Å; E421-R660 IonicContact OE2-NE 3.83Å; E421-R660 PolarHBondContact OE2-NE 3.22Å; E421-R660 IonicContact OE2-NH2 3.19Å; E421-R660 PolarHBondContact OE2-NH2 2.96Å; D656-R660 PolarHBondContact O-N 3.1Å; Y657-R660 PolarHBondContact O-N 3.28Å
661	H	65	Low	67.9	Low	63 Å²	63	34.1 Å²	34.1	29%	0.292	17%	0.171	S	C	.	.	H	α-helix	trans	-96.8	-6.8	-173.2	-63	-74.8	0	0	0	113.2	Y657 C665	Y657-H661 AromaticContact CD2-CD2 3.64Å; Y657-H661 HydrophobicContact CE1-CB 4.17Å; Y657-H661 AromaticContact CE1-CD2 3.72Å; Y657-H661 AromaticContact CE2-CD2 3.29Å; Y657-H661 WeakPolarHBondContact CE2-CD2 3.33Å; Y657-H661 AromaticContact CE2-NE2 3.54Å; Y657-H661 AromaticContact CG-CD2 3.99Å; Y657-H661 AromaticContact CZ-CD2 3.34Å; Y657-H661 AromaticContact CZ-CG 3.94Å; Y657-H661 AromaticContact CZ-NE2 3.88Å; Y657-H661 PolarHBondContact O-N 2.95Å; H661-C665 HydrophobicContact CB-CB 4.23Å; H661-C665 WeakPolarHBondContact O-CB 3.44Å; H661-C665 PolarHBondContact O-SG 2.92Å
662	G	67.9	Low	67.9	Low	30 Å²	30	37 Å²	37	31%	0.309	19%	0.187	S	C	.	.			trans	84.8	148.3	-169.7	0	0	0	0	0	112.1	A658 Y664 C665 T666	A658-G662 CarbonylContact O-C 3.49Å; A658-G662 WeakPolarHBondContact O-CA 3.2Å; A658-G662 PolarHBondContact O-N 3.19Å; A658-G662 VanDerWaalsContact O-N 3.11Å; G662-Y664 VanDerWaalsContact C-N 3.34Å; G662-Y664 PolarHBondContact O-N 3.04Å; G662-C665 PolarHBondContact O-N 3.34Å; G662-T666 PolarHBondContact O-N 2.71Å; G662-T666 VanDerWaalsContact O-N 3.08Å; G662-T666 PolarHBondContact O-OG1 3.17Å
663	V	70.5	Confident	67.9	Low	6 Å²	6	37.4 Å²	37.4	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-44.6	-176.8	-177.9	0	0	0	0	112	L564 S581 C582 A658 T666 V667	L564-V663 HydrophobicContact CD1-CG1 3.64Å; S581-V663 VanDerWaalsContact O-CG1 3.32Å; S581-V663 WeakPolarHBondContact O-CG1 3.5Å; C582-V663 WeakPolarHBondContact SG-CG2 3.42Å; A658-V663 HydrophobicContact CB-CG2 4.25Å; A658-V663 PolarHBondContact O-N 3.39Å; V663-T666 WeakPolarHBondContact O-CB 3.31Å; V663-T666 PolarHBondContact O-N 2.91Å; V663-V667 HydrophobicContact CG1-CG2 4.35Å; V663-V667 VanDerWaalsContact O-CG2 3.25Å; V663-V667 WeakPolarHBondContact O-CG2 3.12Å; V663-V667 PolarHBondContact O-N 2.77Å
664	Y	70.3	Confident	67.6	Low	83 Å²	83	37.1 Å²	37.1	33%	0.325	19%	0.188	S	C	.	.	H	α-helix	trans	-65.6	-42.7	-178.2	-68.2	-75.3	0	0	0	112.4	L584 G662 T666 V667 L668	L584-Y664 WeakPolarHBondContact CD1-OH 3.23Å; G662-Y664 VanDerWaalsContact C-N 3.34Å; G662-Y664 PolarHBondContact O-N 3.04Å; Y664-T666 VanDerWaalsContact C-N 3.31Å; Y664-T666 PolarHBondContact O-N 2.89Å; Y664-V667 PolarHBondContact O-N 2.66Å; Y664-L668 VanDerWaalsContact O-CB 3.31Å; Y664-L668 WeakPolarHBondContact O-CB 3.41Å; Y664-L668 VanDerWaalsContact O-CG 3.25Å; Y664-L668 WeakPolarHBondContact O-CG 3.05Å; Y664-L668 PolarHBondContact O-N 2.97Å
665	C	66.4	Low	67.7	Low	43 Å²	43	37.8 Å²	37.8	29%	0.291	19%	0.189	S	C	.	.	H	α-helix	trans	-63.3	-41.3	177.3	-62.7	0	0	0	0	111	H661 G662 L668 Y669	H661-C665 HydrophobicContact CB-CB 4.23Å; H661-C665 WeakPolarHBondContact O-CB 3.44Å; H661-C665 PolarHBondContact O-SG 2.92Å; G662-C665 PolarHBondContact O-N 3.34Å; C665-L668 PolarHBondContact O-N 3.47Å; C665-Y669 WeakPolarHBondContact O-CB 3.2Å; C665-Y669 PolarHBondContact O-N 2.95Å
666	T	67.4	Low	67.8	Low	8 Å²	8	38.6 Å²	38.6	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-49.1	176.8	-55.8	0	0	0	0	111.7	Y657 A658 G662 V663 Y664 Y669 T670	Y657-T666 HydrophobicContact CD1-CG2 3.56Å; Y657-T666 VanDerWaalsContact CD1-OG1 3.26Å; Y657-T666 WeakPolarHBondContact CD1-OG1 3.08Å; Y657-T666 HydrophobicContact CE1-CG2 4.19Å; A658-T666 VanDerWaalsContact CA-OG1 3.25Å; A658-T666 WeakPolarHBondContact CA-OG1 3.37Å; A658-T666 HydrophobicContact CB-CG2 4.33Å; G662-T666 PolarHBondContact O-N 2.71Å; G662-T666 VanDerWaalsContact O-N 3.08Å; G662-T666 PolarHBondContact O-OG1 3.17Å; V663-T666 WeakPolarHBondContact O-CB 3.31Å; V663-T666 PolarHBondContact O-N 2.91Å; Y664-T666 VanDerWaalsContact C-N 3.31Å; Y664-T666 PolarHBondContact O-N 2.89Å; T666-Y669 PolarHBondContact O-N 3.13Å; T666-T670 WeakPolarHBondContact O-CB 3.5Å; T666-T670 WeakPolarHBondContact O-CG2 3.38Å; T666-T670 PolarHBondContact O-N 3.23Å; T666-T670 PolarHBondContact O-OG1 3.19Å
667	V	69.9	Low	67.9	Low	6 Å²	6	38.4 Å²	38.4	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-41.7	179.1	172.5	0	0	0	0	111.3	I588 V589 V663 Y664 T670 I671	I588-V667 HydrophobicContact CB-CG1 4.1Å; I588-V667 HydrophobicContact CG2-CG1 3.83Å; V589-V667 HydrophobicContact CG2-CB 4.43Å; V589-V667 HydrophobicContact CG2-CG1 3.89Å; V589-V667 HydrophobicContact CG2-CG2 4Å; V663-V667 HydrophobicContact CG1-CG2 4.35Å; V663-V667 VanDerWaalsContact O-CG2 3.25Å; V663-V667 WeakPolarHBondContact O-CG2 3.12Å; V663-V667 PolarHBondContact O-N 2.77Å; Y664-V667 PolarHBondContact O-N 2.66Å; V667-T670 WeakPolarHBondContact CA-OG1 3.36Å; V667-T670 PolarHBondContact O-OG1 2.79Å; V667-I671 HydrophobicContact CG1-CD1 3.62Å; V667-I671 HydrophobicContact CG1-CG1 4.49Å; V667-I671 WeakPolarHBondContact O-CB 3.38Å; V667-I671 WeakPolarHBondContact O-CD1 3.48Å; V667-I671 WeakPolarHBondContact O-CG1 3.1Å; V667-I671 PolarHBondContact O-N 3.38Å
668	L	70.8	Confident	68.1	Low	42 Å²	42	39 Å²	39	22%	0.22	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-46.8	176.2	-77	168.8	0	0	0	111.9	F22 Y664 C665 T670 I671 L672	F22-L668 HydrophobicContact CD2-CD2 4.06Å; F22-L668 HydrophobicContact CE2-CD2 3.67Å; Y664-L668 VanDerWaalsContact O-CB 3.31Å; Y664-L668 WeakPolarHBondContact O-CB 3.41Å; Y664-L668 VanDerWaalsContact O-CG 3.25Å; Y664-L668 WeakPolarHBondContact O-CG 3.05Å; Y664-L668 PolarHBondContact O-N 2.97Å; C665-L668 PolarHBondContact O-N 3.47Å; L668-T670 PolarHBondContact O-N 2.81Å; L668-I671 PolarHBondContact O-N 2.88Å; L668-L672 VanDerWaalsContact O-CB 3.27Å; L668-L672 WeakPolarHBondContact O-CB 3.41Å; L668-L672 WeakPolarHBondContact O-CG 3.14Å; L668-L672 PolarHBondContact O-N 3.39Å
669	Y	68.4	Low	68.2	Low	76 Å²	76	41.7 Å²	41.7	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-57.1	-51.1	179.7	176.1	-106.4	0	0	0	111.2	Y657 C665 T666 L672 L673 L690	Y657-Y669 HydrophobicContact CE1-CD1 4.4Å; C665-Y669 WeakPolarHBondContact O-CB 3.2Å; C665-Y669 PolarHBondContact O-N 2.95Å; T666-Y669 PolarHBondContact O-N 3.13Å; Y669-L672 PolarHBondContact O-N 3.23Å; Y669-L673 HydrophobicContact CD1-CD1 3.86Å; Y669-L673 HydrophobicContact CE1-CD1 3.29Å; Y669-L673 HydrophobicContact CE1-CG 4.25Å; Y669-L673 HydrophobicContact CE2-CD1 4.15Å; Y669-L673 HydrophobicContact CE2-CG 4.33Å; Y669-L673 HydrophobicContact CG-CD1 4.49Å; Y669-L673 VanDerWaalsContact CZ-CD1 3.45Å; Y669-L673 WeakPolarHBondContact O-CG 3.12Å; Y669-L673 PolarHBondContact O-N 3.45Å; Y669-L690 HydrophobicContact CE2-CD2 3.55Å; Y669-L690 WeakPolarHBondContact OH-CD1 3.41Å
670	T	67.9	Low	68.2	Low	15 Å²	15	41.9 Å²	41.9	9%	0.092	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-42.6	179.8	46	0	0	0	0	113.3	I600 T666 V667 L668 L673 G674	I600-T670 HydrophobicContact CG2-CG2 3.54Å; T666-T670 WeakPolarHBondContact O-CB 3.5Å; T666-T670 WeakPolarHBondContact O-CG2 3.38Å; T666-T670 PolarHBondContact O-N 3.23Å; T666-T670 PolarHBondContact O-OG1 3.19Å; V667-T670 WeakPolarHBondContact CA-OG1 3.36Å; V667-T670 PolarHBondContact O-OG1 2.79Å; L668-T670 PolarHBondContact O-N 2.81Å; T670-L673 PolarHBondContact O-N 2.93Å; T670-G674 PolarHBondContact O-N 3.35Å
671	I	71	Confident	68.1	Low	24 Å²	24	38.5 Å²	38.5	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-41.9	175.4	-69.2	168.7	0	0	0	110.9	I588 Q592 I600 V667 L668 G674 I675	I588-I671 HydrophobicContact CG2-CD1 3.62Å; Q592-I671 HydrophobicContact CG-CG1 4.34Å; I600-I671 HydrophobicContact CD1-CG1 3.96Å; V667-I671 HydrophobicContact CG1-CD1 3.62Å; V667-I671 HydrophobicContact CG1-CG1 4.49Å; V667-I671 WeakPolarHBondContact O-CB 3.38Å; V667-I671 WeakPolarHBondContact O-CD1 3.48Å; V667-I671 WeakPolarHBondContact O-CG1 3.1Å; V667-I671 PolarHBondContact O-N 3.38Å; L668-I671 PolarHBondContact O-N 2.88Å; I671-G674 PolarHBondContact O-N 3.5Å; I671-I675 HydrophobicContact CG2-CD1 3.63Å; I671-I675 HydrophobicContact CG2-CG1 4.26Å; I671-I675 WeakPolarHBondContact O-CB 3.34Å; I671-I675 VanDerWaalsContact O-CG1 3.28Å; I671-I675 WeakPolarHBondContact O-CG1 3.17Å; I671-I675 PolarHBondContact O-N 2.75Å
672	L	73.2	Confident	68	Low	62 Å²	62	37.6 Å²	37.6	33%	0.325	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-41.9	178.3	-76.1	170.1	0	0	0	111.7	C29 L668 Y669 I675 A676	C29-L672 HydrophobicContact CB-CD2 4.3Å; L668-L672 VanDerWaalsContact O-CB 3.27Å; L668-L672 WeakPolarHBondContact O-CB 3.41Å; L668-L672 WeakPolarHBondContact O-CG 3.14Å; L668-L672 PolarHBondContact O-N 3.39Å; Y669-L672 PolarHBondContact O-N 3.23Å; L672-I675 PolarHBondContact O-N 3.16Å; L672-A676 WeakPolarHBondContact O-CB 3.37Å; L672-A676 PolarHBondContact O-N 3.42Å
673	L	70.4	Confident	67.8	Low	10 Å²	10	39.2 Å²	39.2	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-46.6	172.7	-75.9	177.6	0	0	0	111.4	F625 Y669 T670 A676 R677 L686 L690	F625-L673 HydrophobicContact CE1-CB 4.45Å; F625-L673 HydrophobicContact CE1-CD2 4.16Å; F625-L673 HydrophobicContact CZ-CD2 4.11Å; Y669-L673 HydrophobicContact CD1-CD1 3.86Å; Y669-L673 HydrophobicContact CE1-CD1 3.29Å; Y669-L673 HydrophobicContact CE1-CG 4.25Å; Y669-L673 HydrophobicContact CE2-CD1 4.15Å; Y669-L673 HydrophobicContact CE2-CG 4.33Å; Y669-L673 HydrophobicContact CG-CD1 4.49Å; Y669-L673 VanDerWaalsContact CZ-CD1 3.45Å; Y669-L673 WeakPolarHBondContact O-CG 3.12Å; Y669-L673 PolarHBondContact O-N 3.45Å; T670-L673 PolarHBondContact O-N 2.93Å; L673-A676 PolarHBondContact O-N 2.92Å; L673-R677 VanDerWaalsContact O-CB 3.3Å; L673-R677 WeakPolarHBondContact O-CB 3.35Å; L673-R677 PolarHBondContact O-N 3.21Å; L673-L686 HydrophobicContact CD2-CD2 4.22Å; L673-L690 HydrophobicContact CD2-CD1 4.48Å
674	G	67.9	Low	67.5	Low	6 Å²	6	44.3 Å²	44.3	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-57.8	-48.8	176.3	0	0	0	0	0	112.5	T670 I671 Y678	T670-G674 PolarHBondContact O-N 3.35Å; I671-G674 PolarHBondContact O-N 3.5Å; G674-Y678 WeakPolarHBondContact O-CB 3.37Å; G674-Y678 PolarHBondContact O-N 3.49Å
675	I	70.5	Confident	67.2	Low	51 Å²	51	45.7 Å²	45.7	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-45.3	178.2	-67.6	168.8	0	0	0	111	F30 I671 L672 R677 Y678 L679	F30-I675 HydrophobicContact CZ-CG2 4.48Å; I671-I675 HydrophobicContact CG2-CD1 3.63Å; I671-I675 HydrophobicContact CG2-CG1 4.26Å; I671-I675 WeakPolarHBondContact O-CB 3.34Å; I671-I675 VanDerWaalsContact O-CG1 3.28Å; I671-I675 WeakPolarHBondContact O-CG1 3.17Å; I671-I675 PolarHBondContact O-N 2.75Å; L672-I675 PolarHBondContact O-N 3.16Å; I675-R677 VanDerWaalsContact C-N 3.34Å; I675-R677 PolarHBondContact O-N 3.19Å; I675-Y678 WeakPolarHBondContact O-CB 3.24Å; I675-Y678 PolarHBondContact O-N 3.34Å; I675-L679 HydrophobicContact CG2-CD1 3.83Å; I675-L679 HydrophobicContact CG2-CG 4.28Å; I675-L679 WeakPolarHBondContact O-CB 3.47Å; I675-L679 VanDerWaalsContact O-CG 3.26Å; I675-L679 WeakPolarHBondContact O-CG 3.42Å; I675-L679 PolarHBondContact O-N 2.88Å
676	A	67.8	Low	67	Low	18 Å²	18	44.4 Å²	44.4	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-42.7	-178.4	0	0	0	0	0	111.4	L672 L673 L679 G680 A681 L686	L672-A676 WeakPolarHBondContact O-CB 3.37Å; L672-A676 PolarHBondContact O-N 3.42Å; L673-A676 PolarHBondContact O-N 2.92Å; A676-L679 PolarHBondContact O-N 2.86Å; A676-G680 PolarHBondContact O-N 3.35Å; A676-A681 HydrophobicContact CB-CB 4.25Å; A676-A681 WeakPolarHBondContact O-CB 3.46Å; A676-A681 PolarHBondContact O-N 2.85Å; A676-L686 HydrophobicContact CB-CD1 4.47Å; A676-L686 HydrophobicContact CB-CD2 3.56Å
677	R	66.5	Low	66.7	Low	42 Å²	42	48.4 Å²	48.4	16%	0.158	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-41.3	175	-171	59.7	170.3	179.6	-9.3	111.6	F625 I628 D629 L673 I675 L679 G680 A681 L686	F625-R677 HydrophobicContact CD1-CB 4.22Å; F625-R677 HydrophobicContact CD1-CG 4.01Å; F625-R677 HydrophobicContact CE1-CB 4.36Å; I628-R677 HydrophobicContact CG2-CB 4.08Å; I628-R677 HydrophobicContact CG2-CG 3.7Å; D629-R677 IonicContact OD1-CZ 2.89Å; D629-R677 IonicContact OD1-NE 3.81Å; D629-R677 PolarHBondContact OD1-NE 3.35Å; D629-R677 IonicContact OD1-NH2 3.98Å; D629-R677 PolarHBondContact OD1-NH2 3.39Å; D629-R677 IonicContact OD2-CZ 2.87Å; D629-R677 IonicContact OD2-NE 3.88Å; D629-R677 IonicContact OD2-NH2 3.84Å; D629-R677 PolarHBondContact OD2-NH2 2.91Å; L673-R677 VanDerWaalsContact O-CB 3.3Å; L673-R677 WeakPolarHBondContact O-CB 3.35Å; L673-R677 PolarHBondContact O-N 3.21Å; I675-R677 VanDerWaalsContact C-N 3.34Å; I675-R677 PolarHBondContact O-N 3.19Å; R677-L679 VanDerWaalsContact C-N 3.29Å; R677-L679 PolarHBondContact O-N 2.84Å; R677-G680 PolarHBondContact O-N 2.89Å; R677-A681 VanDerWaalsContact CD-O 3.25Å; R677-A681 WeakPolarHBondContact CD-O 3.43Å; R677-A681 PolarHBondContact NH1-O 3.17Å; R677-L686 HydrophobicContact CB-CD1 4.35Å
678	Y	66	Low	66.3	Low	92 Å²	92	55.2 Å²	55.2	36%	0.361	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-37.5	174	-176.8	-92.7	0	0	0	112.6	P193 V598 L632 G674 I675 G680	P193-Y678 HydrophobicContact CB-CE1 4.43Å; V598-Y678 HydrophobicContact CG2-CD2 3.99Å; V598-Y678 HydrophobicContact CG2-CE2 4.47Å; L632-Y678 HydrophobicContact CD2-CD2 3.74Å; L632-Y678 HydrophobicContact CD2-CE2 4.2Å; G674-Y678 WeakPolarHBondContact O-CB 3.37Å; G674-Y678 PolarHBondContact O-N 3.49Å; I675-Y678 WeakPolarHBondContact O-CB 3.24Å; I675-Y678 PolarHBondContact O-N 3.34Å; Y678-G680 PolarHBondContact O-N 3.31Å
679	L	66.9	Low	65.6	Low	58 Å²	58	54.9 Å²	54.9	30%	0.304	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	1.1	174.6	-68.1	173.5	0	0	0	113.8	I33 I675 A676 R677	I33-L679 HydrophobicContact CG2-CD1 4.22Å; I675-L679 HydrophobicContact CG2-CD1 3.83Å; I675-L679 HydrophobicContact CG2-CG 4.28Å; I675-L679 WeakPolarHBondContact O-CB 3.47Å; I675-L679 VanDerWaalsContact O-CG 3.26Å; I675-L679 WeakPolarHBondContact O-CG 3.42Å; I675-L679 PolarHBondContact O-N 2.88Å; A676-L679 PolarHBondContact O-N 2.86Å; R677-L679 VanDerWaalsContact C-N 3.29Å; R677-L679 PolarHBondContact O-N 2.84Å
680	G	63.7	Low	65	Low	53 Å²	53	54.3 Å²	54.3	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	13.4	175	0	0	0	0	0	115.3	A676 R677 Y678 T682	A676-G680 PolarHBondContact O-N 3.35Å; R677-G680 PolarHBondContact O-N 2.89Å; Y678-G680 PolarHBondContact O-N 3.31Å; G680-T682 PolarHBondContact O-N 2.89Å
681	A	61	Low	64.3	Low	21 Å²	21	59.5 Å²	59.5	17%	0.174	31%	0.312	C	S	.	.			trans	-63.2	128.8	174.2	0	0	0	0	0	110.6	A676 R677 L686	A676-A681 HydrophobicContact CB-CB 4.25Å; A676-A681 WeakPolarHBondContact O-CB 3.46Å; A676-A681 PolarHBondContact O-N 2.85Å; R677-A681 VanDerWaalsContact CD-O 3.25Å; R677-A681 WeakPolarHBondContact CD-O 3.43Å; R677-A681 PolarHBondContact NH1-O 3.17Å; A681-L686 HydrophobicContact CB-CD1 3.94Å; A681-L686 HydrophobicContact CB-CD2 4.25Å; A681-L686 HydrophobicContact CB-CG 3.86Å
682	T	64.1	Low	63.2	Low	44 Å²	44	64 Å²	64	27%	0.27	33%	0.33	S	S	.	.			trans	-71.9	154.3	175.2	58.6	0	0	0	0	110.6	L184 G680 V684 Q685 L686	L184-T682 HydrophobicContact CD2-CG2 4.33Å; G680-T682 PolarHBondContact O-N 2.89Å; T682-V684 PolarHBondContact O-N 3.15Å; T682-Q685 WeakPolarHBondContact O-CB 3.22Å; T682-Q685 PolarHBondContact O-N 2.88Å; T682-Q685 WeakPolarHBondContact OG1-CB 3.48Å; T682-Q685 WeakPolarHBondContact OG1-CG 3.48Å; T682-Q685 PolarHBondContact OG1-N 3.17Å; T682-Q685 PolarHBondContact OG1-OE1 3.42Å; T682-Q685 VanDerWaalsContact OG1-OE1 3.05Å; T682-L686 PolarHBondContact O-N 3.02Å
683	E	62.7	Low	61.9	Low	64 Å²	64	66.3 Å²	66.3	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-56.6	-38.7	176.7	-58.1	-176.7	134.9	0	0	110.7	S621 C622 F625 Q685 L686 K687	S621-E683 VanDerWaalsContact CA-OE1 3.29Å; S621-E683 WeakPolarHBondContact CA-OE1 3.42Å; S621-E683 WeakPolarHBondContact CB-OE1 3.38Å; C622-E683 PolarHBondContact N-OE1 3.49Å; F625-E683 HydrophobicContact CD2-CB 4.27Å; F625-E683 HydrophobicContact CD2-CG 3.64Å; F625-E683 HydrophobicContact CE2-CB 4.24Å; F625-E683 HydrophobicContact CE2-CG 4.08Å; F625-E683 HydrophobicContact CG-CG 4.42Å; E683-Q685 PolarHBondContact O-N 2.99Å; E683-L686 PolarHBondContact O-N 3.05Å; E683-K687 VanDerWaalsContact O-CB 3.25Å; E683-K687 WeakPolarHBondContact O-CB 3.41Å; E683-K687 PolarHBondContact O-N 3.01Å
684	V	63.8	Low	60.5	Low	113 Å²	113	69.1 Å²	69.1	69%	0.685	36%	0.357	S	S	*	.	H	α-helix	trans	-61.9	-42.4	175.7	-176.5	0	0	0	0	111.8	T682 W688	T682-V684 PolarHBondContact O-N 3.15Å; V684-W688 VanDerWaalsContact O-CB 3.3Å; V684-W688 WeakPolarHBondContact O-CB 3.5Å; V684-W688 PolarHBondContact O-N 2.94Å
685	Q	64.7	Low	59.1	Low	111 Å²	111	72.5 Å²	72.5	52%	0.519	38%	0.38	S	S	.	.	H	α-helix	trans	-68.5	-38.1	177.4	-77.1	164.9	-21.9	0	0	112.2	T682 E683 A689	T682-Q685 WeakPolarHBondContact O-CB 3.22Å; T682-Q685 PolarHBondContact O-N 2.88Å; T682-Q685 WeakPolarHBondContact OG1-CB 3.48Å; T682-Q685 WeakPolarHBondContact OG1-CG 3.48Å; T682-Q685 PolarHBondContact OG1-N 3.17Å; T682-Q685 PolarHBondContact OG1-OE1 3.42Å; T682-Q685 VanDerWaalsContact OG1-OE1 3.05Å; E683-Q685 PolarHBondContact O-N 2.99Å; Q685-A689 WeakPolarHBondContact O-CB 3.43Å; Q685-A689 PolarHBondContact O-N 3.29Å
686	L	62.8	Low	57.8	Low	17 Å²	17	75.6 Å²	75.6	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-69.8	-44.3	176.9	-76	164	0	0	0	111.1	F625 L673 A676 R677 A681 T682 E683 W688 A689 L690	F625-L686 HydrophobicContact CE1-CD1 3.55Å; F625-L686 HydrophobicContact CE2-CD1 4.39Å; F625-L686 HydrophobicContact CZ-CB 3.98Å; F625-L686 HydrophobicContact CZ-CD1 3.46Å; F625-L686 VanDerWaalsContact CZ-CD1 3.46Å; F625-L686 HydrophobicContact CZ-CG 4.31Å; L673-L686 HydrophobicContact CD2-CD2 4.22Å; A676-L686 HydrophobicContact CB-CD1 4.47Å; A676-L686 HydrophobicContact CB-CD2 3.56Å; R677-L686 HydrophobicContact CB-CD1 4.35Å; A681-L686 HydrophobicContact CB-CD1 3.94Å; A681-L686 HydrophobicContact CB-CD2 4.25Å; A681-L686 HydrophobicContact CB-CG 3.86Å; T682-L686 PolarHBondContact O-N 3.02Å; E683-L686 PolarHBondContact O-N 3.05Å; L686-W688 VanDerWaalsContact C-N 3.34Å; L686-W688 PolarHBondContact O-N 3.4Å; L686-A689 WeakPolarHBondContact O-CB 3.25Å; L686-A689 PolarHBondContact O-N 3.14Å; L686-A689 VanDerWaalsContact O-N 3.11Å; L686-L690 VanDerWaalsContact O-CG 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.37Å; L686-L690 PolarHBondContact O-N 3.15Å
687	K	60.3	Low	56.3	Low	91 Å²	91	77.5 Å²	77.5	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-55.7	-49.5	173	-177.5	173.1	-179.1	172.9	0	111.1	D415 E683 A689 L690 E691	D415-K687 IonicContact OD1-NZ 3.78Å; D415-K687 PolarHBondContact OD1-NZ 2.89Å; E683-K687 VanDerWaalsContact O-CB 3.25Å; E683-K687 WeakPolarHBondContact O-CB 3.41Å; E683-K687 PolarHBondContact O-N 3.01Å; K687-A689 VanDerWaalsContact C-N 3.29Å; K687-A689 PolarHBondContact O-N 3.14Å; K687-L690 PolarHBondContact O-N 3.05Å; K687-L690 VanDerWaalsContact O-N 3.12Å; K687-E691 WeakPolarHBondContact CE-OE1 3.16Å; K687-E691 HydrophobicContact CG-CG 4.41Å; K687-E691 WeakPolarHBondContact CG-OE1 3.29Å; K687-E691 WeakPolarHBondContact O-CB 3.43Å; K687-E691 WeakPolarHBondContact O-CG 3.29Å; K687-E691 PolarHBondContact O-N 3.14Å
688	W	61.6	Low	54.7	Low	149 Å²	149	81.3 Å²	81.3	56%	0.564	43%	0.432	S	S	*	.	H	α-helix	trans	-61.3	-37.5	176.6	-171.9	78	0	0	0	112.7	V684 L686 K692	V684-W688 VanDerWaalsContact O-CB 3.3Å; V684-W688 WeakPolarHBondContact O-CB 3.5Å; V684-W688 PolarHBondContact O-N 2.94Å; L686-W688 VanDerWaalsContact C-N 3.34Å; L686-W688 PolarHBondContact O-N 3.4Å; W688-K692 HydrophobicContact CD2-CD 4.25Å; W688-K692 HydrophobicContact CE3-CD 4.27Å; W688-K692 HydrophobicContact CH2-CD 3.62Å; W688-K692 HydrophobicContact CZ2-CD 3.52Å; W688-K692 HydrophobicContact CZ3-CD 3.96Å; W688-K692 WeakPolarHBondContact O-CB 3.44Å; W688-K692 PolarHBondContact O-N 3.02Å
689	A	56.5	Low	53.2	Low	36 Å²	36	80.9 Å²	80.9	30%	0.298	44%	0.439	S	S	.	.	H	α-helix	trans	-66.4	-39.1	174.8	0	0	0	0	0	112.3	Q685 L686 K687 F693	Q685-A689 WeakPolarHBondContact O-CB 3.43Å; Q685-A689 PolarHBondContact O-N 3.29Å; L686-A689 WeakPolarHBondContact O-CB 3.25Å; L686-A689 PolarHBondContact O-N 3.14Å; L686-A689 VanDerWaalsContact O-N 3.11Å; K687-A689 VanDerWaalsContact C-N 3.29Å; K687-A689 PolarHBondContact O-N 3.14Å; A689-F693 VanDerWaalsContact O-CD2 3.23Å; A689-F693 WeakPolarHBondContact O-CD2 3.14Å; A689-F693 PolarHBondContact O-N 3.03Å
690	L	55.3	Low	51.4	Low	64 Å²	64	87 Å²	87	34%	0.335	47%	0.466	S	S	.	.	H	α-helix	trans	-69	-44.5	177.5	-66.3	172.8	0	0	0	111.9	Y669 L673 L686 K687 F693	Y669-L690 HydrophobicContact CE2-CD2 3.55Å; Y669-L690 WeakPolarHBondContact OH-CD1 3.41Å; L673-L690 HydrophobicContact CD2-CD1 4.48Å; L686-L690 VanDerWaalsContact O-CG 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.37Å; L686-L690 PolarHBondContact O-N 3.15Å; K687-L690 PolarHBondContact O-N 3.05Å; K687-L690 VanDerWaalsContact O-N 3.12Å; L690-F693 CarbonylContact O-C 3.53Å
691	E	53	Low	49.9	Very low	124 Å²	124	90.9 Å²	90.9	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-65.9	-37.8	177.9	-72.3	174.3	177.6	0	0	112.4	K687	K687-E691 WeakPolarHBondContact CE-OE1 3.16Å; K687-E691 HydrophobicContact CG-CG 4.41Å; K687-E691 WeakPolarHBondContact CG-OE1 3.29Å; K687-E691 WeakPolarHBondContact O-CB 3.43Å; K687-E691 WeakPolarHBondContact O-CG 3.29Å; K687-E691 PolarHBondContact O-N 3.14Å
692	K	47.6	Very low	48.3	Very low	118 Å²	118	98.4 Å²	98.4	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-80.9	-18.8	-176.6	-157.9	178.3	-168.7	-175	0	113.5	W688 P694	W688-K692 HydrophobicContact CD2-CD 4.25Å; W688-K692 HydrophobicContact CE3-CD 4.27Å; W688-K692 HydrophobicContact CH2-CD 3.62Å; W688-K692 HydrophobicContact CZ2-CD 3.52Å; W688-K692 HydrophobicContact CZ3-CD 3.96Å; W688-K692 WeakPolarHBondContact O-CB 3.44Å; W688-K692 PolarHBondContact O-N 3.02Å; K692-P694 WeakPolarHBondContact O-CD 3.4Å
693	F	45.8	Very low	46.4	Very low	110 Å²	110	100.1 Å²	100.1	48%	0.482	53%	0.532	S	S	.	.			trans	-121.4	66.3	177	-61.2	-70.1	0	0	0	111.3	A689 L690 S695 L696	A689-F693 VanDerWaalsContact O-CD2 3.23Å; A689-F693 WeakPolarHBondContact O-CD2 3.14Å; A689-F693 PolarHBondContact O-N 3.03Å; L690-F693 CarbonylContact O-C 3.53Å; F693-S695 PolarHBondContact O-N 3.27Å; F693-L696 HydrophobicContact CB-CD1 3.94Å; F693-L696 HydrophobicContact CB-CG 4.46Å; F693-L696 WeakPolarHBondContact O-CB 3.28Å; F693-L696 PolarHBondContact O-N 3.31Å
694	P	42.1	Very low	44.7	Very low	70 Å²	70	110.5 Å²	110.5	46%	0.455	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-10.3	173.3	27.9	-33.7	0	0	0	112.3	K692 L696 S697 N698	K692-P694 WeakPolarHBondContact O-CD 3.4Å; P694-L696 PolarHBondContact O-N 2.91Å; P694-S697 PolarHBondContact O-N 2.97Å; P694-S697 PolarHBondContact O-OG 3.48Å; P694-N698 WeakPolarHBondContact O-CB 3.49Å; P694-N698 PolarHBondContact O-N 3.35Å
695	S	39.3	Very low	43.8	Very low	77 Å²	77	110.4 Å²	110.4	54%	0.538	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-16.7	169.8	55.6	0	0	0	0	113.8	F693 V699	F693-S695 PolarHBondContact O-N 3.27Å; S695-V699 WeakPolarHBondContact O-CG2 3.5Å; S695-V699 PolarHBondContact O-N 3Å
696	L	42	Very low	42.7	Very low	116 Å²	116	110.4 Å²	110.4	61%	0.607	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-29.2	171	-79.5	161.5	0	0	0	112.4	F693 P694	F693-L696 HydrophobicContact CB-CD1 3.94Å; F693-L696 HydrophobicContact CB-CG 4.46Å; F693-L696 WeakPolarHBondContact O-CB 3.28Å; F693-L696 PolarHBondContact O-N 3.31Å; P694-L696 PolarHBondContact O-N 2.91Å
697	S	36.6	Very low	41.5	Very low	58 Å²	58	115.6 Å²	115.6	41%	0.406	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-24.4	170.7	53.5	0	0	0	0	112.5	P694	P694-S697 PolarHBondContact O-N 2.97Å; P694-S697 PolarHBondContact O-OG 3.48Å
698	N	32.8	Very low	40.4	Very low	122 Å²	122	117 Å²	117	65%	0.652	61%	0.613	S	S	*	*			trans	-105.5	25.9	-176.1	-71.7	-14	0	0	0	115.1	P694 Q700	P694-N698 WeakPolarHBondContact O-CB 3.49Å; P694-N698 PolarHBondContact O-N 3.35Å; N698-Q700 PolarHBondContact O-N 3.42Å
699	V	34.1	Very low	39.1	Very low	83 Å²	83	115 Å²	115	50%	0.503	62%	0.616	S	S	.	*			trans	-71.3	82.4	171.5	-165.8	0	0	0	0	109.4	S695 I701	S695-V699 WeakPolarHBondContact O-CG2 3.5Å; S695-V699 PolarHBondContact O-N 3Å; V699-I701 HydrophobicContact CG1-CD1 4.17Å; V699-I701 HydrophobicContact CG1-CG1 3.49Å; V699-I701 VanDerWaalsContact CG1-CG1 3.49Å; V699-I701 PolarHBondContact O-N 3.16Å
700	Q	29	Very low	37.9	Very low	187 Å²	187	120.3 Å²	120.3	87%	0.874	64%	0.637	S	S	*	*			trans	-61.6	85.9	156.4	-80.7	-178.1	-20.3	0	0	107.7	N698 M702	N698-Q700 PolarHBondContact O-N 3.42Å; Q700-M702 PolarHBondContact O-N 3.42Å; Q700-M702 VanDerWaalsContact O-N 3.13Å
701	I	32	Very low	36.7	Very low	134 Å²	134	124.3 Å²	124.3	69%	0.687	66%	0.659	S	S	*	*			trans	-73.3	104.7	160.2	-56	-174	0	0	0	105.2	V699 G703	V699-I701 HydrophobicContact CG1-CD1 4.17Å; V699-I701 HydrophobicContact CG1-CG1 3.49Å; V699-I701 VanDerWaalsContact CG1-CG1 3.49Å; V699-I701 PolarHBondContact O-N 3.16Å; I701-G703 PolarHBondContact O-N 3.14Å
702	M	27.5	Very low	35.5	Very low	179 Å²	179	124.3 Å²	124.3	88%	0.882	67%	0.665	S	S	*	*			trans	-30.3	118.8	175.1	-74.4	-172.4	160.4	0	0	112.4	Q700 K704	Q700-M702 PolarHBondContact O-N 3.42Å; Q700-M702 VanDerWaalsContact O-N 3.13Å; M702-K704 PolarHBondContact O-N 3.38Å
703	G	24.8	Very low	34.4	Very low	79 Å²	79	124.8 Å²	124.8	81%	0.814	68%	0.678	S	S	*	*			trans	-58.6	116.5	161	0	0	0	0	0	109.7	I701	I701-G703 PolarHBondContact O-N 3.14Å
704	K	27.3	Very low	33.4	Very low	283 Å²	283	126.2 Å²	126.2	100%	1.23	70%	0.695	S	S	*	*			trans	-152.1	0	140.1	-102.4	-173.4	-177.6	-179.3	0	108.7	M702	M702-K704 PolarHBondContact O-N 3.38Å

Retrieved 704 of 704 residues in 324.2 ms (Link to these results)

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