A0A5K4F914_SCHMA Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F914, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 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	51.1	Low	54.5	Low	196 Å²	196	115.9 Å²	115.9	97%	0.966	60%	0.599	S	S	*	*				0	-51	0	-145.6	179.6	-172.6	0	0	111.7	C3 Y4 I5	M1-C3 PolarHBondContact O-N 2.89Å; M1-Y4 WeakPolarHBondContact O-CB 3.32Å; M1-Y4 PolarHBondContact O-N 2.77Å; M1-I5 HydrophobicContact CG-CD1 4.45Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 3.43Å
2	I	54.9	Low	54.5	Low	121 Å²	121	113.3 Å²	113.3	62%	0.621	59%	0.592	S	S	*	*	H	α-helix	trans	-54.9	-47.6	177.1	-66.4	158.2	0	0	0	112.7	Y4 I5 F6	I2-Y4 VanDerWaalsContact C-N 3.26Å; I2-Y4 PolarHBondContact O-N 3.43Å; I2-I5 PolarHBondContact O-N 3.48Å; I2-F6 HydrophobicContact CG2-CD2 3.59Å; I2-F6 HydrophobicContact CG2-CE2 3.53Å; I2-F6 VanDerWaalsContact O-CD2 3.24Å; I2-F6 WeakPolarHBondContact O-CD2 3.27Å; I2-F6 PolarHBondContact O-N 2.88Å
3	C	50.7	Low	54.3	Low	112 Å²	112	108.8 Å²	108.8	76%	0.757	58%	0.575	S	S	*	*	H	α-helix	trans	-64.5	-27.3	176.8	-57.3	0	0	0	0	114.1	M1 G7	M1-C3 PolarHBondContact O-N 2.89Å; C3-G7 PolarHBondContact O-N 3.47Å
4	Y	50.4	Low	54	Low	180 Å²	180	110.3 Å²	110.3	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-78.8	-34.7	178	-152	-101	0	0	0	110.9	M1 I2 G7 I8	M1-Y4 WeakPolarHBondContact O-CB 3.32Å; M1-Y4 PolarHBondContact O-N 2.77Å; I2-Y4 VanDerWaalsContact C-N 3.26Å; I2-Y4 PolarHBondContact O-N 3.43Å; Y4-G7 PolarHBondContact O-N 3.33Å; Y4-I8 HydrophobicContact CD1-CD1 3.49Å; Y4-I8 VanDerWaalsContact CD1-CD1 3.49Å; Y4-I8 HydrophobicContact CD1-CG1 4.25Å; Y4-I8 HydrophobicContact CE1-CD1 3.52Å; Y4-I8 HydrophobicContact CE1-CG1 4.3Å; Y4-I8 WeakPolarHBondContact O-CB 3.47Å; Y4-I8 VanDerWaalsContact O-CG1 3.28Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.21Å
5	I	58.4	Low	53.8	Low	98 Å²	98	114.5 Å²	114.5	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-66.6	-46.3	171.5	-64.2	168.7	0	0	0	109.8	M1 I2 G7 I8 L9	M1-I5 HydrophobicContact CG-CD1 4.45Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 3.43Å; I2-I5 PolarHBondContact O-N 3.48Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.46Å; I5-I8 PolarHBondContact O-N 2.79Å; I5-L9 WeakPolarHBondContact O-CB 3.37Å; I5-L9 PolarHBondContact O-N 2.9Å
6	F	56.1	Low	53.4	Low	141 Å²	141	111.4 Å²	111.4	62%	0.618	58%	0.584	S	S	*	*	H	α-helix	trans	-60.8	-40.5	173	-83.8	-72.3	0	0	0	112.1	I2 F10	I2-F6 HydrophobicContact CG2-CD2 3.59Å; I2-F6 HydrophobicContact CG2-CE2 3.53Å; I2-F6 VanDerWaalsContact O-CD2 3.24Å; I2-F6 WeakPolarHBondContact O-CD2 3.27Å; I2-F6 PolarHBondContact O-N 2.88Å; F6-F10 WeakPolarHBondContact O-CB 3.36Å; F6-F10 PolarHBondContact O-N 2.89Å
7	G	55.9	Low	53.3	Low	41 Å²	41	110.2 Å²	110.2	42%	0.423	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-42.9	176.8	0	0	0	0	0	113.5	C3 Y4 I5 C11	C3-G7 PolarHBondContact O-N 3.47Å; Y4-G7 PolarHBondContact O-N 3.33Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.46Å; G7-C11 VanDerWaalsContact O-CB 3.25Å; G7-C11 WeakPolarHBondContact O-CB 3.24Å; G7-C11 PolarHBondContact O-N 2.84Å
8	I	59.7	Low	53.2	Low	90 Å²	90	110 Å²	110	46%	0.462	59%	0.588	S	S	.	*	H	α-helix	trans	-70.2	-41.2	177.4	-68.6	168.9	0	0	0	110.8	Y4 I5 F10 C11 T12	Y4-I8 HydrophobicContact CD1-CD1 3.49Å; Y4-I8 VanDerWaalsContact CD1-CD1 3.49Å; Y4-I8 HydrophobicContact CD1-CG1 4.25Å; Y4-I8 HydrophobicContact CE1-CD1 3.52Å; Y4-I8 HydrophobicContact CE1-CG1 4.3Å; Y4-I8 WeakPolarHBondContact O-CB 3.47Å; Y4-I8 VanDerWaalsContact O-CG1 3.28Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.21Å; I5-I8 PolarHBondContact O-N 2.79Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.38Å; I8-C11 PolarHBondContact O-N 3.12Å; I8-T12 HydrophobicContact CG2-CG2 4.35Å; I8-T12 WeakPolarHBondContact O-CG2 3.39Å; I8-T12 PolarHBondContact O-N 3.4Å; I8-T12 PolarHBondContact O-OG1 2.99Å
9	L	55.8	Low	53.2	Low	80 Å²	80	108.3 Å²	108.3	42%	0.419	58%	0.581	S	S	.	*	H	α-helix	trans	-67	-35.3	178.7	-139.4	91.6	0	0	0	112.3	I5 T12 C13 F34	I5-L9 WeakPolarHBondContact O-CB 3.37Å; I5-L9 PolarHBondContact O-N 2.9Å; L9-T12 PolarHBondContact O-OG1 3.26Å; L9-C13 PolarHBondContact O-N 2.73Å; L9-F34 HydrophobicContact CD2-CD2 4.1Å; L9-F34 HydrophobicContact CD2-CE2 3.72Å
10	F	56.7	Low	53.3	Low	144 Å²	144	104.7 Å²	104.7	63%	0.632	57%	0.565	S	S	*	*	H	α-helix	trans	-70.5	-35.5	173.6	-157.6	-94	0	0	0	111.3	F6 I8 M14	F6-F10 WeakPolarHBondContact O-CB 3.36Å; F6-F10 PolarHBondContact O-N 2.89Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.38Å; F10-M14 HydrophobicContact CE1-CE 3.92Å; F10-M14 HydrophobicContact CZ-CE 4.28Å; F10-M14 WeakPolarHBondContact O-CG 3.29Å; F10-M14 PolarHBondContact O-N 2.87Å
11	C	50.2	Low	53.6	Low	72 Å²	72	103.9 Å²	103.9	49%	0.486	57%	0.567	S	S	.	*	H	α-helix	trans	-73.2	-36.4	177.8	-152.6	0	0	0	0	112.4	G7 I8 M14 F15	G7-C11 VanDerWaalsContact O-CB 3.25Å; G7-C11 WeakPolarHBondContact O-CB 3.24Å; G7-C11 PolarHBondContact O-N 2.84Å; I8-C11 PolarHBondContact O-N 3.12Å; C11-M14 PolarHBondContact O-N 3.44Å; C11-F15 WeakPolarHBondContact O-CD2 3.35Å; C11-F15 PolarHBondContact O-N 3.26Å
12	T	54.2	Low	54.4	Low	84 Å²	84	100.4 Å²	100.4	52%	0.515	55%	0.552	S	S	.	*	H	α-helix	trans	-72	-31.3	175.3	54	0	0	0	0	112.7	I8 L9 M14 F15	I8-T12 HydrophobicContact CG2-CG2 4.35Å; I8-T12 WeakPolarHBondContact O-CG2 3.39Å; I8-T12 PolarHBondContact O-N 3.4Å; I8-T12 PolarHBondContact O-OG1 2.99Å; L9-T12 PolarHBondContact O-OG1 3.26Å; T12-M14 VanDerWaalsContact C-N 3.35Å; T12-F15 PolarHBondContact O-N 3.48Å
13	C	51.6	Low	55.6	Low	55 Å²	55	95.1 Å²	95.1	37%	0.372	53%	0.525	S	S	.	.	H	α-helix	trans	-66.9	-32.9	170.2	-81	0	0	0	0	113.1	L9 F15	L9-C13 PolarHBondContact O-N 2.73Å; C13-F15 VanDerWaalsContact C-N 3.32Å
14	M	50.6	Low	56.9	Low	130 Å²	130	90.4 Å²	90.4	64%	0.64	49%	0.494	S	S	*	.	H	α-helix	trans	-72	-24.3	176.9	-77.8	-73	173.6	0	0	113.2	F10 C11 T12	F10-M14 HydrophobicContact CE1-CE 3.92Å; F10-M14 HydrophobicContact CZ-CE 4.28Å; F10-M14 WeakPolarHBondContact O-CG 3.29Å; F10-M14 PolarHBondContact O-N 2.87Å; C11-M14 PolarHBondContact O-N 3.44Å; T12-M14 VanDerWaalsContact C-N 3.35Å
15	F	50.7	Low	57.9	Low	173 Å²	173	84.7 Å²	84.7	76%	0.759	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.7	-179.5	-93.8	-90.6	0	0	0	114.6	C11 T12 C13	C11-F15 WeakPolarHBondContact O-CD2 3.35Å; C11-F15 PolarHBondContact O-N 3.26Å; T12-F15 PolarHBondContact O-N 3.48Å; C13-F15 VanDerWaalsContact C-N 3.32Å
16	S	48	Very low	58.1	Low	66 Å²	66	85.5 Å²	85.5	46%	0.462	50%	0.501	S	S	.	.			trans	-148	69.7	169.5	-82.8	0	0	0	0	111.4	T18 V19	S16-T18 PolarHBondContact O-N 2.74Å; S16-T18 VanDerWaalsContact O-N 3.16Å; S16-V19 PolarHBondContact O-N 3.41Å
17	P	50.7	Low	58.5	Low	91 Å²	91	85 Å²	85	59%	0.591	51%	0.51	S	S	*	.	H	α-helix	trans	-63.4	-21.5	-176.8	24.5	-33.2	0	0	0	113.6	S21	P17-S21 PolarHBondContact O-N 3.12Å
18	T	51.3	Low	59.1	Low	106 Å²	106	84.9 Å²	84.9	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-68	-43.1	-178.5	26.5	0	0	0	0	113.1	S16	S16-T18 PolarHBondContact O-N 2.74Å; S16-T18 VanDerWaalsContact O-N 3.16Å
19	V	53.5	Low	60	Low	77 Å²	77	88.1 Å²	88.1	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-74.5	-35.3	-174.4	-174.5	0	0	0	0	111.8	S16 D22 I23	S16-V19 PolarHBondContact O-N 3.41Å; V19-D22 PolarHBondContact O-N 3.36Å; V19-I23 HydrophobicContact CG1-CD1 4.13Å
20	C	54.8	Low	61.2	Low	37 Å²	37	91.5 Å²	91.5	25%	0.25	53%	0.53	C	S	.	.	H	α-helix	trans	-70	-34.1	-179.4	-166.2	0	0	0	0	112.1	D22 I23 C24	C20-D22 VanDerWaalsContact C-N 3.27Å; C20-D22 PolarHBondContact O-N 2.99Å; C20-I23 PolarHBondContact O-N 3.43Å; C20-C24 PolarHBondContact O-N 3.25Å
21	S	61.1	Low	62.3	Low	88 Å²	88	90.8 Å²	90.8	62%	0.615	53%	0.532	S	S	*	.	H	α-helix	trans	-67.2	-25.3	-179.7	-167.6	0	0	0	0	113.6	P17	P17-S21 PolarHBondContact O-N 3.12Å
22	D	68.3	Low	63.8	Low	122 Å²	122	88.1 Å²	88.1	65%	0.652	51%	0.514	S	S	*	.	H	α-helix	trans	-84.6	-23.3	179.6	-70.4	-21.5	0	0	0	112.7	V19 C20	V19-D22 PolarHBondContact O-N 3.36Å; C20-D22 VanDerWaalsContact C-N 3.27Å; C20-D22 PolarHBondContact O-N 2.99Å
23	I	78.2	Confident	65.3	Low	11 Å²	11	85.2 Å²	85.2	6%	0.056	50%	0.497	C	S	.	.	H	α-helix	trans	-92.7	-44.5	-177.9	-62.1	169.2	0	0	0	111.1	V19 C20 K36 I37 Y40 W96	V19-I23 HydrophobicContact CG1-CD1 4.13Å; C20-I23 PolarHBondContact O-N 3.43Å; I23-K36 HydrophobicContact CG2-CB 3.92Å; I23-I37 HydrophobicContact CG2-CG1 4.35Å; I23-Y40 HydrophobicContact CD1-CD1 3.73Å; I23-Y40 HydrophobicContact CD1-CD2 3.83Å; I23-Y40 HydrophobicContact CD1-CE1 4.13Å; I23-Y40 HydrophobicContact CD1-CE2 4.22Å; I23-Y40 HydrophobicContact CD1-CG 3.57Å; I23-Y40 HydrophobicContact CG1-CD2 4.01Å; I23-Y40 HydrophobicContact CG1-CE2 4.38Å; I23-Y40 HydrophobicContact CG1-CG 4.21Å; I23-W96 HydrophobicContact CG2-CZ2 3.96Å
24	C	78.9	Confident	67	Low	13 Å²	13	86.7 Å²	86.7	9%	0.088	50%	0.497	C	S	.	.	S	Bend	trans	-107.4	131.5	-178.5	-63	0	0	0	0	111.2	C20 C33	C20-C24 PolarHBondContact O-N 3.25Å; C24-C33 HydrophobicContact CB-CB 3.81Å; C24-C33 WeakPolarHBondContact CB-SG 3.36Å; C24-C33 WeakPolarHBondContact SG-CA 3.35Å; C24-C33 WeakPolarHBondContact SG-CB 3.33Å; C24-C33 PolarHBondContact SG-O 3.04Å; C24-C33 CovalentContact SG-SG 2.04Å; C24-C33 PolarHBondContact SG-SG 2.85Å
25	S	72.2	Confident	68.7	Low	59 Å²	59	81.7 Å²	81.7	41%	0.413	47%	0.474	S	S	.	.			trans	-78.7	149.4	170.3	-59.9	0	0	0	0	109.8	T27 D28	S25-T27 PolarHBondContact O-N 2.93Å; S25-D28 PolarHBondContact N-OD2 3.33Å; S25-D28 WeakPolarHBondContact O-CB 3.39Å; S25-D28 PolarHBondContact O-N 2.76Å
26	A	61.2	Low	70.5	Confident	116 Å²	116	74.4 Å²	74.4	96%	0.959	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-17	177.4	0	0	0	0	0	113.9
27	T	66	Low	72.5	Confident	131 Å²	131	73.9 Å²	73.9	80%	0.804	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-1	177.9	59	0	0	0	0	114.1	S25	S25-T27 PolarHBondContact O-N 2.93Å
28	D	68.6	Low	74.3	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.203	41%	0.413	C	S	.	.	S	Bend	trans	-75.2	133.4	179.4	-76.8	-48.7	0	0	0	111.1	S25 C33 K36	S25-D28 PolarHBondContact N-OD2 3.33Å; S25-D28 WeakPolarHBondContact O-CB 3.39Å; S25-D28 PolarHBondContact O-N 2.76Å; D28-C33 HydrophobicContact CB-CB 4.21Å; D28-K36 IonicContact OD1-NZ 3.75Å; D28-K36 PolarHBondContact OD1-NZ 2.96Å; D28-K36 IonicContact OD2-NZ 2.8Å; D28-K36 PolarHBondContact OD2-NZ 2.97Å
29	E	78	Confident	76.3	Confident	157 Å²	157	66 Å²	66	73%	0.734	38%	0.382	S	S	*	.			trans	-58.3	146.5	165.2	-66.4	-174.7	168.6	0	0	110.3	L31 S32 C33	E29-L31 PolarHBondContact O-N 2.92Å; E29-L31 VanDerWaalsContact O-N 3.1Å; E29-S32 WeakPolarHBondContact O-CA 3.45Å; E29-S32 VanDerWaalsContact O-CB 3.31Å; E29-S32 WeakPolarHBondContact O-CB 3.25Å; E29-S32 PolarHBondContact O-N 3.42Å; E29-C33 PolarHBondContact O-N 2.84Å
30	I	80.7	Confident	78.2	Confident	152 Å²	152	64.4 Å²	64.4	78%	0.779	37%	0.368	S	S	*	.	H	α-helix	trans	-50.8	-42.6	-176.3	-63.5	171.6	0	0	0	111.6	C33 F34	I30-C33 PolarHBondContact O-N 2.76Å; I30-F34 WeakPolarHBondContact O-CB 3.5Å; I30-F34 PolarHBondContact O-N 3.14Å
31	L	79.5	Confident	80	Confident	128 Å²	128	67.7 Å²	67.7	67%	0.67	38%	0.38	S	S	*	.	H	α-helix	trans	-67.9	-38.5	179.4	-171.6	65.1	0	0	0	112.3	E29 F34 T35	E29-L31 PolarHBondContact O-N 2.92Å; E29-L31 VanDerWaalsContact O-N 3.1Å; L31-F34 PolarHBondContact O-N 2.78Å; L31-T35 PolarHBondContact O-N 2.67Å; L31-T35 PolarHBondContact O-OG1 2.68Å; L31-T35 VanDerWaalsContact O-OG1 3.09Å
32	S	82.5	Confident	81.5	Confident	16 Å²	16	63.7 Å²	63.7	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-46	174.8	177.9	0	0	0	0	110.8	E29 T35 K36 R137	E29-S32 WeakPolarHBondContact O-CA 3.45Å; E29-S32 VanDerWaalsContact O-CB 3.31Å; E29-S32 WeakPolarHBondContact O-CB 3.25Å; E29-S32 PolarHBondContact O-N 3.42Å; S32-T35 PolarHBondContact O-N 2.88Å; S32-K36 WeakPolarHBondContact O-CG 3.19Å; S32-K36 PolarHBondContact O-N 3.21Å; S32-R137 PolarHBondContact OG-NH1 3.22Å
33	C	86.1	Confident	82.7	Confident	23 Å²	23	57.9 Å²	57.9	16%	0.155	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-44.8	176.6	174.8	0	0	0	0	111.6	C24 D28 E29 I30 T35 K36 I37	C24-C33 HydrophobicContact CB-CB 3.81Å; C24-C33 WeakPolarHBondContact CB-SG 3.36Å; C24-C33 WeakPolarHBondContact SG-CA 3.35Å; C24-C33 WeakPolarHBondContact SG-CB 3.33Å; C24-C33 PolarHBondContact SG-O 3.04Å; C24-C33 CovalentContact SG-SG 2.04Å; C24-C33 PolarHBondContact SG-SG 2.85Å; D28-C33 HydrophobicContact CB-CB 4.21Å; E29-C33 PolarHBondContact O-N 2.84Å; I30-C33 PolarHBondContact O-N 2.76Å; C33-T35 PolarHBondContact O-N 3.29Å; C33-K36 WeakPolarHBondContact O-CB 3.24Å; C33-K36 PolarHBondContact O-N 3.46Å; C33-K36 VanDerWaalsContact O-N 3.1Å; C33-I37 WeakPolarHBondContact O-CG1 3.41Å; C33-I37 PolarHBondContact O-N 3.01Å
34	F	86.7	Confident	83.4	Confident	86 Å²	86	60.2 Å²	60.2	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-42.9	176.5	-175.2	-106.8	0	0	0	112.5	L9 I30 L31 K36 I37 L38	L9-F34 HydrophobicContact CD2-CD2 4.1Å; L9-F34 HydrophobicContact CD2-CE2 3.72Å; I30-F34 WeakPolarHBondContact O-CB 3.5Å; I30-F34 PolarHBondContact O-N 3.14Å; L31-F34 PolarHBondContact O-N 2.78Å; F34-K36 VanDerWaalsContact C-N 3.31Å; F34-K36 PolarHBondContact O-N 3.27Å; F34-I37 PolarHBondContact O-N 2.76Å; F34-L38 HydrophobicContact CD1-CD1 3.81Å; F34-L38 HydrophobicContact CE1-CD1 3.34Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CE2-CD1 4.48Å; F34-L38 HydrophobicContact CZ-CD1 3.72Å; F34-L38 HydrophobicContact CZ-CD2 4.39Å; F34-L38 HydrophobicContact CZ-CG 4.21Å; F34-L38 WeakPolarHBondContact O-CG 3.26Å; F34-L38 PolarHBondContact O-N 2.97Å
35	T	86.4	Confident	84.1	Confident	25 Å²	25	61.6 Å²	61.6	15%	0.153	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-39.6	173.9	-62	0	0	0	0	111.8	L31 S32 C33 L38 S39 R137	L31-T35 PolarHBondContact O-N 2.67Å; L31-T35 PolarHBondContact O-OG1 2.68Å; L31-T35 VanDerWaalsContact O-OG1 3.09Å; S32-T35 PolarHBondContact O-N 2.88Å; C33-T35 PolarHBondContact O-N 3.29Å; T35-L38 PolarHBondContact O-N 3.34Å; T35-S39 WeakPolarHBondContact O-CB 3.16Å; T35-S39 PolarHBondContact O-N 3.12Å; T35-S39 PolarHBondContact O-OG 3.48Å; T35-R137 HydrophobicContact CG2-CB 4.05Å
36	K	88.2	Confident	85	Confident	20 Å²	20	59.3 Å²	59.3	9%	0.087	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-43.2	176.3	-71	178.8	-170.6	-179.4	0	112.1	I23 D28 S32 C33 F34 L38 S39 Y40 W96	I23-K36 HydrophobicContact CG2-CB 3.92Å; D28-K36 IonicContact OD1-NZ 3.75Å; D28-K36 PolarHBondContact OD1-NZ 2.96Å; D28-K36 IonicContact OD2-NZ 2.8Å; D28-K36 PolarHBondContact OD2-NZ 2.97Å; S32-K36 WeakPolarHBondContact O-CG 3.19Å; S32-K36 PolarHBondContact O-N 3.21Å; C33-K36 WeakPolarHBondContact O-CB 3.24Å; C33-K36 PolarHBondContact O-N 3.46Å; C33-K36 VanDerWaalsContact O-N 3.1Å; F34-K36 VanDerWaalsContact C-N 3.31Å; F34-K36 PolarHBondContact O-N 3.27Å; K36-L38 PolarHBondContact O-N 3.44Å; K36-S39 WeakPolarHBondContact CA-OG 3.3Å; K36-S39 PolarHBondContact O-N 3.41Å; K36-S39 VanDerWaalsContact O-N 3.17Å; K36-S39 PolarHBondContact O-OG 3.29Å; K36-Y40 PolarHBondContact O-N 3.37Å; K36-W96 HydrophobicContact CB-CH2 4.43Å
37	I	89.4	Confident	86.5	Confident	56 Å²	56	54.3 Å²	54.3	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-47.6	176.3	-67.8	166.2	0	0	0	110.6	I23 C33 F34 S39 Y40 E41	I23-I37 HydrophobicContact CG2-CG1 4.35Å; C33-I37 WeakPolarHBondContact O-CG1 3.41Å; C33-I37 PolarHBondContact O-N 3.01Å; F34-I37 PolarHBondContact O-N 2.76Å; I37-S39 VanDerWaalsContact C-N 3.29Å; I37-S39 PolarHBondContact O-N 2.87Å; I37-Y40 WeakPolarHBondContact O-CB 3.35Å; I37-Y40 PolarHBondContact O-N 3.47Å; I37-Y40 VanDerWaalsContact O-N 3.17Å; I37-E41 PolarHBondContact O-N 3.24Å
38	L	90.1	Very high	87.8	Confident	32 Å²	32	55.6 Å²	55.6	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-32.8	177.2	-67.4	174.6	0	0	0	112.7	F34 T35 K36 Y40 A42 R141	F34-L38 HydrophobicContact CD1-CD1 3.81Å; F34-L38 HydrophobicContact CE1-CD1 3.34Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CE2-CD1 4.48Å; F34-L38 HydrophobicContact CZ-CD1 3.72Å; F34-L38 HydrophobicContact CZ-CD2 4.39Å; F34-L38 HydrophobicContact CZ-CG 4.21Å; F34-L38 WeakPolarHBondContact O-CG 3.26Å; F34-L38 PolarHBondContact O-N 2.97Å; T35-L38 PolarHBondContact O-N 3.34Å; K36-L38 PolarHBondContact O-N 3.44Å; L38-Y40 VanDerWaalsContact C-N 3.35Å; L38-A42 PolarHBondContact O-N 2.99Å; L38-A42 VanDerWaalsContact O-N 3.16Å; L38-R141 HydrophobicContact CB-CG 4.47Å
39	S	91.9	Very high	88.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.4	-33.4	174.6	75.3	0	0	0	0	112.2	T35 K36 I37 A42 I43 W96 R137	T35-S39 WeakPolarHBondContact O-CB 3.16Å; T35-S39 PolarHBondContact O-N 3.12Å; T35-S39 PolarHBondContact O-OG 3.48Å; K36-S39 WeakPolarHBondContact CA-OG 3.3Å; K36-S39 PolarHBondContact O-N 3.41Å; K36-S39 VanDerWaalsContact O-N 3.17Å; K36-S39 PolarHBondContact O-OG 3.29Å; I37-S39 VanDerWaalsContact C-N 3.29Å; I37-S39 PolarHBondContact O-N 2.87Å; S39-A42 PolarHBondContact O-N 3.35Å; S39-I43 WeakPolarHBondContact O-CG1 3.34Å; S39-I43 PolarHBondContact O-N 2.86Å; S39-W96 VanDerWaalsContact OG-CH2 3.3Å; S39-W96 WeakPolarHBondContact OG-CH2 3.44Å; S39-W96 WeakPolarHBondContact OG-CZ3 3.35Å; S39-R137 VanDerWaalsContact CB-O 3.29Å; S39-R137 WeakPolarHBondContact CB-O 3.31Å
40	Y	93.4	Very high	89.3	Confident	43 Å²	43	48.8 Å²	48.8	17%	0.169	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-44.4	174.6	-175.9	-90.7	0	0	0	111	I23 K36 I37 L38 A42 I43 E44 L92 W96	I23-Y40 HydrophobicContact CD1-CD1 3.73Å; I23-Y40 HydrophobicContact CD1-CD2 3.83Å; I23-Y40 HydrophobicContact CD1-CE1 4.13Å; I23-Y40 HydrophobicContact CD1-CE2 4.22Å; I23-Y40 HydrophobicContact CD1-CG 3.57Å; I23-Y40 HydrophobicContact CG1-CD2 4.01Å; I23-Y40 HydrophobicContact CG1-CE2 4.38Å; I23-Y40 HydrophobicContact CG1-CG 4.21Å; K36-Y40 PolarHBondContact O-N 3.37Å; I37-Y40 WeakPolarHBondContact O-CB 3.35Å; I37-Y40 PolarHBondContact O-N 3.47Å; I37-Y40 VanDerWaalsContact O-N 3.17Å; L38-Y40 VanDerWaalsContact C-N 3.35Å; Y40-A42 VanDerWaalsContact C-N 3.28Å; Y40-A42 PolarHBondContact O-N 3.03Å; Y40-I43 CarbonylContact O-C 3.56Å; Y40-I43 PolarHBondContact O-N 3.5Å; Y40-E44 PolarHBondContact O-N 3.01Å; Y40-L92 HydrophobicContact CE1-CD2 4.31Å; Y40-L92 VanDerWaalsContact OH-CD2 3.31Å; Y40-L92 WeakPolarHBondContact OH-CD2 3.48Å; Y40-W96 HydrophobicContact CD2-CB 4.23Å; Y40-W96 AromaticContact CD2-CD2 3.67Å; Y40-W96 HydrophobicContact CD2-CD2 3.67Å; Y40-W96 AromaticContact CD2-CE3 3.92Å; Y40-W96 HydrophobicContact CD2-CE3 3.92Å; Y40-W96 AromaticContact CD2-CG 3.78Å; Y40-W96 HydrophobicContact CD2-CG 3.78Å; Y40-W96 HydrophobicContact CE2-CB 4.09Å; Y40-W96 HydrophobicContact CE2-CD2 4.34Å; Y40-W96 AromaticContact CE2-CG 3.96Å; Y40-W96 HydrophobicContact CE2-CG 3.96Å
41	E	92.8	Very high	89.8	Confident	106 Å²	106	42 Å²	42	50%	0.495	20%	0.202	S	C	.	.	H	α-helix	trans	-57.9	-40.2	174	-176	-179.1	-175.3	0	0	111.9	I37 I43 E44 D45	I37-E41 PolarHBondContact O-N 3.24Å; E41-I43 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 2.91Å; E41-E44 PolarHBondContact O-N 2.85Å; E41-D45 PolarHBondContact O-N 3.12Å
42	A	93.3	Very high	90.2	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-33.4	175.4	0	0	0	0	0	113	L38 S39 Y40 L46 P140 M144	L38-A42 PolarHBondContact O-N 2.99Å; L38-A42 VanDerWaalsContact O-N 3.16Å; S39-A42 PolarHBondContact O-N 3.35Å; Y40-A42 VanDerWaalsContact C-N 3.28Å; Y40-A42 PolarHBondContact O-N 3.03Å; A42-L46 PolarHBondContact O-N 3.34Å; A42-P140 HydrophobicContact CB-CB 3.89Å; A42-P140 WeakPolarHBondContact CB-O 3.32Å; A42-M144 HydrophobicContact CB-CG 3.66Å; A42-M144 HydrophobicContact CB-SD 4.16Å
43	I	93.5	Very high	90.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-73.9	-33.1	174.6	-74.6	168	0	0	0	111.2	S39 Y40 E41 L46 H47 L92 L95 W96 W99 P140	S39-I43 WeakPolarHBondContact O-CG1 3.34Å; S39-I43 PolarHBondContact O-N 2.86Å; Y40-I43 CarbonylContact O-C 3.56Å; Y40-I43 PolarHBondContact O-N 3.5Å; E41-I43 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 2.91Å; I43-L46 WeakPolarHBondContact O-CB 3.49Å; I43-L46 PolarHBondContact O-N 3.08Å; I43-H47 WeakPolarHBondContact O-CB 3.44Å; I43-H47 PolarHBondContact O-N 3.28Å; I43-L92 HydrophobicContact CG2-CD1 4.12Å; I43-L95 HydrophobicContact CG2-CB 4.28Å; I43-L95 HydrophobicContact CG2-CD2 3.89Å; I43-L95 HydrophobicContact CG2-CG 3.9Å; I43-W96 HydrophobicContact CD1-CE3 3.49Å; I43-W96 VanDerWaalsContact CD1-CE3 3.49Å; I43-W96 HydrophobicContact CD1-CZ3 3.77Å; I43-W99 HydrophobicContact CD1-CB 3.69Å; I43-W99 HydrophobicContact CD1-CG 3.59Å; I43-P140 HydrophobicContact CD1-CB 4.27Å; I43-P140 HydrophobicContact CD1-CG 4.03Å; I43-P140 HydrophobicContact CG1-CB 4.04Å; I43-P140 HydrophobicContact CG1-CG 4.33Å
44	E	92.3	Very high	90.7	Very high	59 Å²	59	49.9 Å²	49.9	28%	0.276	25%	0.248	S	C	.	.	H	α-helix	trans	-64.1	-44.5	170.7	-173.4	-176.1	-175.4	0	0	111.4	Y40 E41 L46 H47 R48 L92	Y40-E44 PolarHBondContact O-N 3.01Å; E41-E44 PolarHBondContact O-N 2.85Å; E44-L46 VanDerWaalsContact C-N 3.27Å; E44-L46 PolarHBondContact O-N 3.28Å; E44-H47 PolarHBondContact O-N 2.67Å; E44-R48 WeakPolarHBondContact O-CB 3.43Å; E44-R48 VanDerWaalsContact O-CG 3.26Å; E44-R48 WeakPolarHBondContact O-CG 3.44Å; E44-R48 PolarHBondContact O-N 3.16Å; E44-R48 IonicContact OE1-CZ 3.39Å; E44-R48 IonicContact OE1-NE 3.41Å; E44-R48 PolarHBondContact OE1-NE 3.3Å; E44-R48 IonicContact OE1-NH2 2.67Å; E44-R48 PolarHBondContact OE1-NH2 2.96Å; E44-L92 HydrophobicContact CB-CD1 4.1Å; E44-L92 HydrophobicContact CB-CD2 4.29Å; E44-L92 HydrophobicContact CG-CD1 4.48Å; E44-L92 HydrophobicContact CG-CD2 3.99Å
45	D	92.5	Very high	90.8	Very high	43 Å²	43	50 Å²	50	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-39.8	172.6	-173.9	60.2	0	0	0	111.4	E41 N49 Q145	E41-D45 PolarHBondContact O-N 3.12Å; D45-N49 WeakPolarHBondContact O-CB 3.45Å; D45-N49 PolarHBondContact O-N 3.37Å; D45-N49 PolarHBondContact O-ND2 3.47Å; D45-Q145 PolarHBondContact OD2-N 3.28Å; D45-Q145 VanDerWaalsContact OD2-N 3.08Å
46	L	92.6	Very high	90.9	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-46.5	175.2	175.9	56.7	0	0	0	112.4	A42 I43 E44 R48 N49 L50 F66 L95 L170 I173 L174	A42-L46 PolarHBondContact O-N 3.34Å; I43-L46 WeakPolarHBondContact O-CB 3.49Å; I43-L46 PolarHBondContact O-N 3.08Å; E44-L46 VanDerWaalsContact C-N 3.27Å; E44-L46 PolarHBondContact O-N 3.28Å; L46-R48 PolarHBondContact O-N 3.48Å; L46-N49 WeakPolarHBondContact O-CB 3.5Å; L46-N49 PolarHBondContact O-N 3.45Å; L46-N49 VanDerWaalsContact O-N 3.08Å; L46-L50 HydrophobicContact CD1-CD1 4.1Å; L46-L50 HydrophobicContact CD1-CG 4.23Å; L46-L50 HydrophobicContact CG-CD1 4.05Å; L46-L50 WeakPolarHBondContact O-CG 3.22Å; L46-L50 PolarHBondContact O-N 2.96Å; L46-F66 HydrophobicContact CD1-CE1 4.38Å; L46-F66 HydrophobicContact CD1-CZ 4.34Å; L46-L95 HydrophobicContact CD2-CD2 4.36Å; L46-L95 HydrophobicContact CG-CD2 4.33Å; L46-L170 HydrophobicContact CD1-CD1 3.38Å; L46-L170 HydrophobicContact CD2-CD1 3.67Å; L46-L170 HydrophobicContact CG-CD1 4.18Å; L46-I173 HydrophobicContact CD2-CG2 4.34Å; L46-L174 HydrophobicContact CD2-CD2 4.14Å; L46-L174 HydrophobicContact CD2-CG 4.44Å
47	H	92.9	Very high	90.9	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-46	178.2	-179.7	-87	0	0	0	110.7	I43 E44 N49 L50 D51 G56 I90 L92 L95	I43-H47 WeakPolarHBondContact O-CB 3.44Å; I43-H47 PolarHBondContact O-N 3.28Å; E44-H47 PolarHBondContact O-N 2.67Å; H47-N49 PolarHBondContact O-N 3.43Å; H47-N49 VanDerWaalsContact O-N 3.14Å; H47-L50 PolarHBondContact O-N 3.05Å; H47-D51 IonicContact CE1-OD2 3.18Å; H47-D51 VanDerWaalsContact O-CB 3.28Å; H47-D51 WeakPolarHBondContact O-CB 3.42Å; H47-D51 PolarHBondContact O-N 2.75Å; H47-G56 PolarHBondContact CE1-O 3.38Å; H47-G56 PolarHBondContact NE2-O 2.9Å; H47-I90 PolarHBondContact NE2-O 3.33Å; H47-L92 HydrophobicContact CB-CD1 3.78Å; H47-L92 PolarHBondContact CD2-N 3.18Å; H47-L92 PolarHBondContact NE2-N 3.41Å; H47-L95 HydrophobicContact CB-CD2 4.07Å
48	R	92.1	Very high	91	Very high	158 Å²	158	51.2 Å²	51.2	60%	0.596	27%	0.266	S	S	*	.	H	α-helix	trans	-59.7	-25.2	174.5	-72.2	174.8	-177.1	-163.9	4.8	114.1	E44 L46	E44-R48 WeakPolarHBondContact O-CB 3.43Å; E44-R48 VanDerWaalsContact O-CG 3.26Å; E44-R48 WeakPolarHBondContact O-CG 3.44Å; E44-R48 PolarHBondContact O-N 3.16Å; E44-R48 IonicContact OE1-CZ 3.39Å; E44-R48 IonicContact OE1-NE 3.41Å; E44-R48 PolarHBondContact OE1-NE 3.3Å; E44-R48 IonicContact OE1-NH2 2.67Å; E44-R48 PolarHBondContact OE1-NH2 2.96Å; L46-R48 PolarHBondContact O-N 3.48Å
49	N	89.6	Confident	90.9	Very high	43 Å²	43	52.1 Å²	52.1	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-85.9	-26.3	177.1	-83.6	-52.2	0	0	0	113.2	D45 L46 H47 F66 Q145	D45-N49 WeakPolarHBondContact O-CB 3.45Å; D45-N49 PolarHBondContact O-N 3.37Å; D45-N49 PolarHBondContact O-ND2 3.47Å; L46-N49 WeakPolarHBondContact O-CB 3.5Å; L46-N49 PolarHBondContact O-N 3.45Å; L46-N49 VanDerWaalsContact O-N 3.08Å; H47-N49 PolarHBondContact O-N 3.43Å; H47-N49 VanDerWaalsContact O-N 3.14Å; N49-F66 HydrophobicContact CB-CE2 3.91Å; N49-F66 HydrophobicContact CB-CZ 4.44Å; N49-F66 VanDerWaalsContact O-CD2 3.29Å; N49-F66 WeakPolarHBondContact O-CD2 3.19Å; N49-Q145 WeakPolarHBondContact ND2-CB 3.48Å; N49-Q145 PolarHBondContact ND2-OE1 3.44Å; N49-Q145 PolarHBondContact OD1-NE2 3.23Å; N49-Q145 PolarHBondContact OD1-OE1 3.36Å
50	L	89.5	Confident	90.6	Very high	9 Å²	9	55 Å²	55	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-80.2	-44.8	173.9	-73.1	166.9	0	0	0	111.2	L46 H47 G52 V58 F66 L95	L46-L50 HydrophobicContact CD1-CD1 4.1Å; L46-L50 HydrophobicContact CD1-CG 4.23Å; L46-L50 HydrophobicContact CG-CD1 4.05Å; L46-L50 WeakPolarHBondContact O-CG 3.22Å; L46-L50 PolarHBondContact O-N 2.96Å; H47-L50 PolarHBondContact O-N 3.05Å; L50-G52 PolarHBondContact O-N 3.4Å; L50-V58 HydrophobicContact CB-CG1 3.9Å; L50-V58 HydrophobicContact CB-CG2 3.78Å; L50-F66 HydrophobicContact CD2-CB 3.9Å; L50-F66 HydrophobicContact CD2-CD1 3.32Å; L50-F66 HydrophobicContact CD2-CE1 3.9Å; L50-F66 HydrophobicContact CD2-CG 3.67Å; L50-F66 HydrophobicContact CG-CD1 4.3Å; L50-L95 HydrophobicContact CD1-CD2 4.31Å
51	D	91.3	Very high	90.3	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.053	30%	0.299	C	S	.	.			trans	-71.4	92.4	179.5	-175	-1.9	0	0	0	110.1	H47 K54 N55 G56 V58	H47-D51 IonicContact CE1-OD2 3.18Å; H47-D51 VanDerWaalsContact O-CB 3.28Å; H47-D51 WeakPolarHBondContact O-CB 3.42Å; H47-D51 PolarHBondContact O-N 2.75Å; D51-K54 VanDerWaalsContact CG-CA 3.46Å; D51-K54 WeakPolarHBondContact OD1-CA 3.43Å; D51-K54 PolarHBondContact OD1-N 2.94Å; D51-K54 WeakPolarHBondContact OD2-CA 3.32Å; D51-N55 PolarHBondContact OD1-N 3.35Å; D51-N55 PolarHBondContact OD2-N 2.91Å; D51-G56 WeakPolarHBondContact OD2-CA 3.3Å; D51-G56 PolarHBondContact OD2-N 3.3Å; D51-V58 HydrophobicContact CB-CG2 3.9Å
52	G	87.4	Confident	90.1	Very high	63 Å²	63	52.3 Å²	52.3	65%	0.649	28%	0.281	S	S	*	.	S	Bend	trans	-77.6	-31.7	-171.2	0	0	0	0	0	112.6	L50 E62	L50-G52 PolarHBondContact O-N 3.4Å; G52-E62 WeakPolarHBondContact CA-OE1 3.38Å; G52-E62 PolarHBondContact N-OE1 3.29Å
53	D	89.7	Confident	89.8	Confident	96 Å²	96	52.3 Å²	52.3	51%	0.513	28%	0.28	S	S	.	.	S	Bend	trans	-94.6	-10.5	178.3	75.3	3.3	0	0	0	113.8	N55 E62	D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 VanDerWaalsContact CG-ND2 3.27Å; D53-N55 WeakPolarHBondContact OD1-CB 3.45Å; D53-N55 PolarHBondContact OD1-N 2.95Å; D53-N55 PolarHBondContact OD1-ND2 2.92Å; D53-N55 PolarHBondContact OD1-OD1 2.78Å; D53-N55 PolarHBondContact OD2-ND2 3.39Å; D53-E62 PolarHBondContact N-OE1 3.09Å
54	K	88.6	Confident	89.5	Confident	173 Å²	173	54.2 Å²	54.2	75%	0.752	29%	0.289	S	S	*	.			trans	65.2	32.8	177.9	-54.5	179.8	-179.9	179	0	113.1	D51 G56	D51-K54 VanDerWaalsContact CG-CA 3.46Å; D51-K54 WeakPolarHBondContact OD1-CA 3.43Å; D51-K54 PolarHBondContact OD1-N 2.94Å; D51-K54 WeakPolarHBondContact OD2-CA 3.32Å; K54-G56 VanDerWaalsContact C-N 3.32Å
55	N	89.6	Confident	89.3	Confident	88 Å²	88	59.3 Å²	59.3	47%	0.471	31%	0.31	S	S	.	.	S	Bend	trans	-81.3	-11.5	178.8	69.2	18.4	0	0	0	112.8	D51 D53 E57	D51-N55 PolarHBondContact OD1-N 3.35Å; D51-N55 PolarHBondContact OD2-N 2.91Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 VanDerWaalsContact CG-ND2 3.27Å; D53-N55 WeakPolarHBondContact OD1-CB 3.45Å; D53-N55 PolarHBondContact OD1-N 2.95Å; D53-N55 PolarHBondContact OD1-ND2 2.92Å; D53-N55 PolarHBondContact OD1-OD1 2.78Å; D53-N55 PolarHBondContact OD2-ND2 3.39Å; N55-E57 WeakPolarHBondContact OD1-CA 3.38Å; N55-E57 PolarHBondContact OD1-N 3.12Å; N55-E57 PolarHBondContact OD1-O 2.76Å
56	G	88	Confident	89.1	Confident	35 Å²	35	58.4 Å²	58.4	36%	0.361	31%	0.305	S	S	.	.	S	Bend	trans	97	-4.4	-177.4	0	0	0	0	0	115.2	H47 D51 K54	H47-G56 PolarHBondContact CE1-O 3.38Å; H47-G56 PolarHBondContact NE2-O 2.9Å; D51-G56 WeakPolarHBondContact OD2-CA 3.3Å; D51-G56 PolarHBondContact OD2-N 3.3Å; K54-G56 VanDerWaalsContact C-N 3.32Å
57	E	89.5	Confident	88.8	Confident	90 Å²	90	58 Å²	58	42%	0.421	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.4	-174.8	-68.1	-174.6	177.5	0	0	111.2	N55 L89	N55-E57 WeakPolarHBondContact OD1-CA 3.38Å; N55-E57 PolarHBondContact OD1-N 3.12Å; N55-E57 PolarHBondContact OD1-O 2.76Å; E57-L89 HydrophobicContact CB-CB 4.24Å; E57-L89 HydrophobicContact CB-CD2 4.19Å; E57-L89 WeakPolarHBondContact OE2-CD1 3.47Å
58	V	89.7	Confident	88.5	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.2	-177.8	-177	0	0	0	0	110.7	L50 D51 E62 T63 N84 I90	L50-V58 HydrophobicContact CB-CG1 3.9Å; L50-V58 HydrophobicContact CB-CG2 3.78Å; D51-V58 HydrophobicContact CB-CG2 3.9Å; V58-E62 HydrophobicContact CG1-CB 4.21Å; V58-T63 WeakPolarHBondContact CG1-OG1 3.37Å; V58-N84 PolarHBondContact O-ND2 2.87Å; V58-I90 HydrophobicContact CB-CB 4.38Å; V58-I90 PolarHBondContact N-O 3.26Å; V58-I90 PolarHBondContact O-N 3.18Å
59	D	89.3	Confident	88.2	Confident	50 Å²	50	63.2 Å²	63.2	27%	0.267	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	171.6	174.5	83.9	25.8	0	0	0	113.6	S61 E62 T63 L89	D59-S61 VanDerWaalsContact C-N 3.31Å; D59-S61 PolarHBondContact O-N 3.05Å; D59-S61 VanDerWaalsContact OD1-CA 3.26Å; D59-S61 WeakPolarHBondContact OD1-CA 3.07Å; D59-S61 VanDerWaalsContact OD1-CB 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.46Å; D59-S61 PolarHBondContact OD1-N 2.98Å; D59-S61 PolarHBondContact OD1-OG 2.79Å; D59-S61 PolarHBondContact OD2-OG 3.15Å; D59-E62 PolarHBondContact N-OE2 3.4Å; D59-E62 PolarHBondContact O-N 2.85Å; D59-E62 WeakPolarHBondContact OD1-CG 3.29Å; D59-E62 PolarHBondContact OD1-N 3.19Å; D59-T63 WeakPolarHBondContact O-CB 3.46Å; D59-T63 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-OG1 3.48Å; D59-L89 HydrophobicContact CB-CD2 4.13Å
60	H	85.7	Confident	87.8	Confident	61 Å²	61	62.4 Å²	62.4	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-38.5	178	172.3	-79	0	0	0	112.8	E64 S80 N84	H60-E64 IonicContact CE1-OE2 3.99Å; H60-E64 PolarHBondContact CE1-OE2 3.44Å; H60-E64 IonicContact ND1-OE2 2.67Å; H60-E64 VanDerWaalsContact O-CB 3.24Å; H60-E64 WeakPolarHBondContact O-CB 3.47Å; H60-E64 PolarHBondContact O-N 2.94Å; H60-S80 PolarHBondContact CE1-OG 3.28Å; H60-S80 PolarHBondContact NE2-OG 2.9Å; H60-N84 HydrophobicContact CB-CB 4.3Å
61	S	86	Confident	87.4	Confident	70 Å²	70	63.5 Å²	63.5	49%	0.49	33%	0.325	S	S	.	.	H	α-helix	trans	-69.8	-38	-176.3	79.7	0	0	0	0	111.8	D59 K65	D59-S61 VanDerWaalsContact C-N 3.31Å; D59-S61 PolarHBondContact O-N 3.05Å; D59-S61 VanDerWaalsContact OD1-CA 3.26Å; D59-S61 WeakPolarHBondContact OD1-CA 3.07Å; D59-S61 VanDerWaalsContact OD1-CB 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.46Å; D59-S61 PolarHBondContact OD1-N 2.98Å; D59-S61 PolarHBondContact OD1-OG 2.79Å; D59-S61 PolarHBondContact OD2-OG 3.15Å; S61-K65 VanDerWaalsContact O-CB 3.26Å; S61-K65 WeakPolarHBondContact O-CB 3.25Å; S61-K65 PolarHBondContact O-N 2.95Å
62	E	89.3	Confident	86.7	Confident	23 Å²	23	68.8 Å²	68.8	11%	0.107	35%	0.354	C	S	.	.	H	α-helix	trans	-68.1	-48.1	174.8	-66.9	-173.8	126.7	0	0	111.2	G52 D53 V58 D59 E64 K65 F66	G52-E62 WeakPolarHBondContact CA-OE1 3.38Å; G52-E62 PolarHBondContact N-OE1 3.29Å; D53-E62 PolarHBondContact N-OE1 3.09Å; V58-E62 HydrophobicContact CG1-CB 4.21Å; D59-E62 PolarHBondContact N-OE2 3.4Å; D59-E62 PolarHBondContact O-N 2.85Å; D59-E62 WeakPolarHBondContact OD1-CG 3.29Å; D59-E62 PolarHBondContact OD1-N 3.19Å; E62-E64 VanDerWaalsContact C-N 3.33Å; E62-E64 PolarHBondContact O-N 3.5Å; E62-K65 PolarHBondContact O-N 2.84Å; E62-F66 PolarHBondContact O-N 3.08Å
63	T	87.9	Confident	85.8	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-56.2	-48.6	174.2	-60.5	0	0	0	0	111	V58 D59 K65 F66 L67 L83 N84	V58-T63 WeakPolarHBondContact CG1-OG1 3.37Å; D59-T63 WeakPolarHBondContact O-CB 3.46Å; D59-T63 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-OG1 3.48Å; T63-K65 PolarHBondContact O-N 3.36Å; T63-F66 PolarHBondContact O-N 3.36Å; T63-L67 HydrophobicContact CG2-CD1 3.84Å; T63-L67 HydrophobicContact CG2-CG 4.27Å; T63-L67 WeakPolarHBondContact O-CB 3.5Å; T63-L67 WeakPolarHBondContact O-CG 3.35Å; T63-L67 PolarHBondContact O-N 3.39Å; T63-L83 HydrophobicContact CG2-CB 4.47Å; T63-L83 HydrophobicContact CG2-CD1 3.61Å; T63-N84 PolarHBondContact OG1-OD1 3.12Å
64	E	86.4	Confident	84.8	Confident	41 Å²	41	68.4 Å²	68.4	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-42.8	178.7	-174.2	-178.9	174.4	0	0	111.8	H60 E62 L67 R68	H60-E64 IonicContact CE1-OE2 3.99Å; H60-E64 PolarHBondContact CE1-OE2 3.44Å; H60-E64 IonicContact ND1-OE2 2.67Å; H60-E64 VanDerWaalsContact O-CB 3.24Å; H60-E64 WeakPolarHBondContact O-CB 3.47Å; H60-E64 PolarHBondContact O-N 2.94Å; E62-E64 VanDerWaalsContact C-N 3.33Å; E62-E64 PolarHBondContact O-N 3.5Å; E64-L67 PolarHBondContact O-N 3.45Å; E64-R68 HydrophobicContact CG-CG 4.41Å; E64-R68 WeakPolarHBondContact O-CB 3.41Å; E64-R68 WeakPolarHBondContact O-CG 3.5Å; E64-R68 PolarHBondContact O-N 3.37Å; E64-R68 IonicContact OE1-CZ 3.77Å; E64-R68 IonicContact OE1-NE 2.91Å; E64-R68 PolarHBondContact OE1-NE 3.35Å; E64-R68 IonicContact OE1-NH2 3.54Å; E64-R68 PolarHBondContact OE1-NH2 3.34Å
65	K	88.1	Confident	84.3	Confident	166 Å²	166	64.1 Å²	64.1	72%	0.722	34%	0.342	S	S	*	.	H	α-helix	trans	-62.9	-42.7	178.6	-174.6	-179	179.4	-174.1	0	111.7	S61 E62 T63 K69	S61-K65 VanDerWaalsContact O-CB 3.26Å; S61-K65 WeakPolarHBondContact O-CB 3.25Å; S61-K65 PolarHBondContact O-N 2.95Å; E62-K65 PolarHBondContact O-N 2.84Å; T63-K65 PolarHBondContact O-N 3.36Å; K65-K69 PolarHBondContact O-N 3.11Å
66	F	87.6	Confident	83.7	Confident	25 Å²	25	60 Å²	60	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-48.1	174.9	179.1	-96.3	0	0	0	111.6	L46 N49 L50 E62 T63 R68 K69 E70 L170	L46-F66 HydrophobicContact CD1-CE1 4.38Å; L46-F66 HydrophobicContact CD1-CZ 4.34Å; N49-F66 HydrophobicContact CB-CE2 3.91Å; N49-F66 HydrophobicContact CB-CZ 4.44Å; N49-F66 VanDerWaalsContact O-CD2 3.29Å; N49-F66 WeakPolarHBondContact O-CD2 3.19Å; L50-F66 HydrophobicContact CD2-CB 3.9Å; L50-F66 HydrophobicContact CD2-CD1 3.32Å; L50-F66 HydrophobicContact CD2-CE1 3.9Å; L50-F66 HydrophobicContact CD2-CG 3.67Å; L50-F66 HydrophobicContact CG-CD1 4.3Å; E62-F66 PolarHBondContact O-N 3.08Å; T63-F66 PolarHBondContact O-N 3.36Å; F66-R68 VanDerWaalsContact C-N 3.3Å; F66-R68 PolarHBondContact O-N 2.97Å; F66-K69 WeakPolarHBondContact O-CB 3.35Å; F66-K69 PolarHBondContact O-N 3.47Å; F66-E70 HydrophobicContact CD1-CG 4.4Å; F66-E70 HydrophobicContact CD2-CG 4.46Å; F66-E70 HydrophobicContact CE1-CG 3.94Å; F66-E70 HydrophobicContact CE2-CG 3.97Å; F66-E70 HydrophobicContact CZ-CG 3.71Å; F66-E70 PolarHBondContact O-N 2.87Å; F66-L170 HydrophobicContact CE1-CD2 4.02Å; F66-L170 HydrophobicContact CZ-CD2 4.41Å
67	L	87.4	Confident	83.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-33.6	-179.9	-69.4	176.7	0	0	0	112.7	T63 E64 K69 E70 F71 A76 K79 L83 L174 F175	T63-L67 HydrophobicContact CG2-CD1 3.84Å; T63-L67 HydrophobicContact CG2-CG 4.27Å; T63-L67 WeakPolarHBondContact O-CB 3.5Å; T63-L67 WeakPolarHBondContact O-CG 3.35Å; T63-L67 PolarHBondContact O-N 3.39Å; E64-L67 PolarHBondContact O-N 3.45Å; L67-K69 PolarHBondContact O-N 3.29Å; L67-E70 PolarHBondContact O-N 2.84Å; L67-F71 HydrophobicContact CB-CD2 4.41Å; L67-F71 HydrophobicContact CD2-CD2 3.47Å; L67-F71 VanDerWaalsContact CD2-CD2 3.47Å; L67-F71 HydrophobicContact CD2-CE2 3.51Å; L67-F71 CarbonylContact O-C 3.57Å; L67-F71 WeakPolarHBondContact O-CA 3.23Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 3.17Å; L67-A76 HydrophobicContact CB-CB 3.89Å; L67-K79 HydrophobicContact CD1-CB 3.76Å; L67-L83 HydrophobicContact CD1-CD1 4.48Å; L67-L174 HydrophobicContact CD2-CD1 4.42Å; L67-F175 HydrophobicContact CD1-CZ 3.98Å; L67-F175 HydrophobicContact CD2-CE2 4.3Å; L67-F175 HydrophobicContact CD2-CZ 3.97Å
68	R	85.9	Confident	82.7	Confident	119 Å²	119	63 Å²	63	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-26.5	173.5	-76.3	172.8	177.8	-77.3	0.2	113.1	E64 F66 A76	E64-R68 HydrophobicContact CG-CG 4.41Å; E64-R68 WeakPolarHBondContact O-CB 3.41Å; E64-R68 WeakPolarHBondContact O-CG 3.5Å; E64-R68 PolarHBondContact O-N 3.37Å; E64-R68 IonicContact OE1-CZ 3.77Å; E64-R68 IonicContact OE1-NE 2.91Å; E64-R68 PolarHBondContact OE1-NE 3.35Å; E64-R68 IonicContact OE1-NH2 3.54Å; E64-R68 PolarHBondContact OE1-NH2 3.34Å; F66-R68 VanDerWaalsContact C-N 3.3Å; F66-R68 PolarHBondContact O-N 2.97Å; R68-A76 HydrophobicContact CB-CB 4.49Å; R68-A76 HydrophobicContact CG-CB 3.63Å
69	K	85.2	Confident	82.4	Confident	160 Å²	160	64.6 Å²	64.6	70%	0.696	33%	0.333	S	S	*	.	H	α-helix	trans	-82.2	-38.6	177.8	-173.5	-175.8	175.3	-170.4	0	111.7	K65 F66 L67	K65-K69 PolarHBondContact O-N 3.11Å; F66-K69 WeakPolarHBondContact O-CB 3.35Å; F66-K69 PolarHBondContact O-N 3.47Å; L67-K69 PolarHBondContact O-N 3.29Å
70	E	82.6	Confident	81.9	Confident	27 Å²	27	62.2 Å²	62.2	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-94.7	-28.4	-174.2	-65.4	-59.3	146.9	0	0	114	F66 L67 K163 L167	F66-E70 HydrophobicContact CD1-CG 4.4Å; F66-E70 HydrophobicContact CD2-CG 4.46Å; F66-E70 HydrophobicContact CE1-CG 3.94Å; F66-E70 HydrophobicContact CE2-CG 3.97Å; F66-E70 HydrophobicContact CZ-CG 3.71Å; F66-E70 PolarHBondContact O-N 2.87Å; L67-E70 PolarHBondContact O-N 2.84Å; E70-K163 IonicContact OE1-NZ 3.34Å; E70-K163 IonicContact OE2-NZ 3.95Å; E70-K163 PolarHBondContact OE2-NZ 3.18Å; E70-L167 HydrophobicContact CB-CD2 3.96Å; E70-L167 VanDerWaalsContact O-CD2 3.22Å; E70-L167 WeakPolarHBondContact O-CD2 3.39Å
71	F	79.4	Confident	81.5	Confident	31 Å²	31	67.6 Å²	67.6	14%	0.136	34%	0.338	C	S	.	.	S	Bend	trans	-122.3	171.9	-178.5	-61.1	-86.2	0	0	0	112.1	L67 L167 L170 D171	L67-F71 HydrophobicContact CB-CD2 4.41Å; L67-F71 HydrophobicContact CD2-CD2 3.47Å; L67-F71 VanDerWaalsContact CD2-CD2 3.47Å; L67-F71 HydrophobicContact CD2-CE2 3.51Å; L67-F71 CarbonylContact O-C 3.57Å; L67-F71 WeakPolarHBondContact O-CA 3.23Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 3.17Å; F71-L167 HydrophobicContact CE1-CD2 4.49Å; F71-L170 HydrophobicContact CE2-CD2 3.63Å; F71-L170 HydrophobicContact CE2-CG 4.17Å; F71-L170 HydrophobicContact CZ-CB 4.35Å; F71-L170 HydrophobicContact CZ-CD2 3.76Å; F71-L170 HydrophobicContact CZ-CG 4Å; F71-D171 HydrophobicContact CE1-CB 4.17Å; F71-D171 HydrophobicContact CZ-CB 4.32Å
72	N	76.5	Confident	81.2	Confident	122 Å²	122	69.9 Å²	69.9	65%	0.652	34%	0.343	S	S	*	.			trans	-62.9	139	176	-70.7	-22.2	0	0	0	111.4	G74 D75 A76	N72-G74 PolarHBondContact O-N 2.97Å; N72-G74 VanDerWaalsContact O-N 3.11Å; N72-D75 PolarHBondContact O-N 3.38Å; N72-A76 PolarHBondContact O-N 2.92Å
73	P	69.8	Low	80.7	Confident	85 Å²	85	69.5 Å²	69.5	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-23.7	-171.7	24.5	-34.8	0	0	0	114
74	G	69.2	Low	80.3	Confident	66 Å²	66	70.2 Å²	70.2	68%	0.68	35%	0.345	S	S	*	.	H	α-helix	trans	-70.3	-32.3	179.2	0	0	0	0	0	114	N72	N72-G74 PolarHBondContact O-N 2.97Å; N72-G74 VanDerWaalsContact O-N 3.11Å
75	D	76.7	Confident	79.6	Confident	83 Å²	83	72.3 Å²	72.3	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-90.2	-23.6	-177.8	-66.8	-36	0	0	0	112.4	N72 A77 K78 K79	N72-D75 PolarHBondContact O-N 3.38Å; D75-A77 PolarHBondContact O-N 3.3Å; D75-K78 PolarHBondContact O-N 3.42Å; D75-K78 VanDerWaalsContact O-N 3.13Å; D75-K79 HydrophobicContact CB-CD 4.27Å; D75-K79 WeakPolarHBondContact O-CB 3.41Å; D75-K79 WeakPolarHBondContact O-CG 3.4Å; D75-K79 PolarHBondContact O-N 2.92Å
76	A	77.4	Confident	78.7	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56.4	-46.1	-172.7	0	0	0	0	0	112.8	L67 R68 N72 K78 K79 S80	L67-A76 HydrophobicContact CB-CB 3.89Å; R68-A76 HydrophobicContact CB-CB 4.49Å; R68-A76 HydrophobicContact CG-CB 3.63Å; N72-A76 PolarHBondContact O-N 2.92Å; A76-K78 VanDerWaalsContact C-N 3.33Å; A76-K78 PolarHBondContact O-N 3.25Å; A76-K79 PolarHBondContact O-N 2.98Å; A76-S80 WeakPolarHBondContact O-CB 3.48Å; A76-S80 PolarHBondContact O-N 3.41Å; A76-S80 PolarHBondContact O-OG 2.77Å
77	A	76.5	Confident	78.3	Confident	24 Å²	24	74.4 Å²	74.4	20%	0.198	38%	0.384	C	S	.	.	H	α-helix	trans	-70.1	-27.6	-178.8	0	0	0	0	0	113.6	D75 S80 R81	D75-A77 PolarHBondContact O-N 3.3Å; A77-S80 WeakPolarHBondContact CA-OG 3.27Å; A77-S80 PolarHBondContact O-OG 2.96Å; A77-S80 VanDerWaalsContact O-OG 3.14Å; A77-R81 WeakPolarHBondContact O-CD 3.47Å; A77-R81 VanDerWaalsContact O-CG 3.25Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-NE 3.4Å
78	K	80.8	Confident	78	Confident	165 Å²	165	78.9 Å²	78.9	72%	0.717	41%	0.413	S	S	*	.	H	α-helix	trans	-77.7	-40.4	175.6	-177	-179.3	176.2	-174.5	0	110.4	D75 A76 M82	D75-K78 PolarHBondContact O-N 3.42Å; D75-K78 VanDerWaalsContact O-N 3.13Å; A76-K78 VanDerWaalsContact C-N 3.33Å; A76-K78 PolarHBondContact O-N 3.25Å; K78-M82 PolarHBondContact O-N 3.09Å
79	K	82.3	Confident	77.9	Confident	37 Å²	37	77 Å²	77	16%	0.161	41%	0.411	C	S	.	.	H	α-helix	trans	-68.6	-44.3	178.6	-79.7	-174.9	177.3	-161.4	0	112	L67 D75 A76 R81 M82 L83 D171 F175	L67-K79 HydrophobicContact CD1-CB 3.76Å; D75-K79 HydrophobicContact CB-CD 4.27Å; D75-K79 WeakPolarHBondContact O-CB 3.41Å; D75-K79 WeakPolarHBondContact O-CG 3.4Å; D75-K79 PolarHBondContact O-N 2.92Å; A76-K79 PolarHBondContact O-N 2.98Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-R81 PolarHBondContact O-N 3.48Å; K79-M82 WeakPolarHBondContact O-CA 3.35Å; K79-M82 WeakPolarHBondContact O-CB 3.38Å; K79-M82 PolarHBondContact O-N 3.22Å; K79-L83 PolarHBondContact O-N 3.38Å; K79-L83 VanDerWaalsContact O-N 3.11Å; K79-D171 IonicContact NZ-OD1 2.65Å; K79-D171 PolarHBondContact NZ-OD1 3.08Å; K79-D171 IonicContact NZ-OD2 3.86Å; K79-F175 HydrophobicContact CB-CD1 4.21Å; K79-F175 HydrophobicContact CB-CE1 3.42Å; K79-F175 VanDerWaalsContact CB-CE1 3.42Å; K79-F175 HydrophobicContact CB-CE2 4.29Å; K79-F175 HydrophobicContact CB-CZ 3.48Å; K79-F175 VanDerWaalsContact CB-CZ 3.48Å; K79-F175 HydrophobicContact CD-CD2 4.08Å; K79-F175 HydrophobicContact CD-CE1 4.21Å; K79-F175 HydrophobicContact CD-CE2 3.66Å; K79-F175 HydrophobicContact CD-CZ 3.75Å; K79-F175 HydrophobicContact CG-CD1 4.12Å; K79-F175 HydrophobicContact CG-CD2 4.48Å; K79-F175 HydrophobicContact CG-CE1 3.78Å; K79-F175 HydrophobicContact CG-CE2 4.17Å; K79-F175 HydrophobicContact CG-CG 4.47Å; K79-F175 HydrophobicContact CG-CZ 3.82Å; K79-F175 WeakPolarHBondContact O-CE1 3.48Å
80	S	78.7	Confident	78	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-57.7	-44.5	175.7	62.3	0	0	0	0	111.8	H60 A76 A77 M82 L83 N84	H60-S80 PolarHBondContact CE1-OG 3.28Å; H60-S80 PolarHBondContact NE2-OG 2.9Å; A76-S80 WeakPolarHBondContact O-CB 3.48Å; A76-S80 PolarHBondContact O-N 3.41Å; A76-S80 PolarHBondContact O-OG 2.77Å; A77-S80 WeakPolarHBondContact CA-OG 3.27Å; A77-S80 PolarHBondContact O-OG 2.96Å; A77-S80 VanDerWaalsContact O-OG 3.14Å; S80-M82 PolarHBondContact O-N 3.06Å; S80-L83 PolarHBondContact O-N 2.87Å; S80-N84 PolarHBondContact O-N 3.06Å; S80-N84 PolarHBondContact O-OD1 2.99Å
81	R	78.3	Confident	78.4	Confident	174 Å²	174	70 Å²	70	66%	0.657	39%	0.385	S	S	*	.	H	α-helix	trans	-65.1	-27.1	175	-67.9	177.8	-158.7	-172.2	4.4	113.7	A77 K79 S85	A77-R81 WeakPolarHBondContact O-CD 3.47Å; A77-R81 VanDerWaalsContact O-CG 3.25Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-NE 3.4Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-R81 PolarHBondContact O-N 3.48Å; R81-S85 VanDerWaalsContact O-CA 3.27Å; R81-S85 WeakPolarHBondContact O-CA 3.43Å; R81-S85 VanDerWaalsContact O-CB 3.26Å; R81-S85 WeakPolarHBondContact O-CB 3.35Å; R81-S85 PolarHBondContact O-N 2.97Å; R81-S85 VanDerWaalsContact O-N 3.13Å
82	M	79.9	Confident	79	Confident	118 Å²	118	70 Å²	70	58%	0.581	39%	0.386	S	S	*	.	H	α-helix	trans	-74.3	-34.8	177.2	-178.3	173.1	168.5	0	0	111.4	K78 K79 S80 F175	K78-M82 PolarHBondContact O-N 3.09Å; K79-M82 WeakPolarHBondContact O-CA 3.35Å; K79-M82 WeakPolarHBondContact O-CB 3.38Å; K79-M82 PolarHBondContact O-N 3.22Å; S80-M82 PolarHBondContact O-N 3.06Å; M82-F175 HydrophobicContact CE-CB 4.4Å; M82-F175 WeakPolarHBondContact CE-O 3.41Å; M82-F175 HydrophobicContact SD-CD1 4.18Å
83	L	77.4	Confident	79.7	Confident	14 Å²	14	68 Å²	68	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-73.3	-50.6	176.1	-74.8	165.1	0	0	0	111.5	T63 L67 K79 S80 S85 I90 M98 L174 F175	T63-L83 HydrophobicContact CG2-CB 4.47Å; T63-L83 HydrophobicContact CG2-CD1 3.61Å; L67-L83 HydrophobicContact CD1-CD1 4.48Å; K79-L83 PolarHBondContact O-N 3.38Å; K79-L83 VanDerWaalsContact O-N 3.11Å; S80-L83 PolarHBondContact O-N 2.87Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 2.93Å; L83-I90 HydrophobicContact CB-CD1 4.11Å; L83-M98 HydrophobicContact CD2-CE 3.62Å; L83-L174 HydrophobicContact CD1-CB 4.3Å; L83-L174 HydrophobicContact CD1-CD1 4.31Å; L83-L174 HydrophobicContact CD1-CD2 4.3Å; L83-L174 HydrophobicContact CD2-CB 4.06Å; L83-L174 HydrophobicContact CD2-CD2 4.06Å; L83-L174 VanDerWaalsContact CD2-O 3.26Å; L83-L174 WeakPolarHBondContact CD2-O 3.48Å; L83-F175 HydrophobicContact CD1-CE1 3.52Å; L83-F175 HydrophobicContact CD1-CZ 3.66Å; L83-F175 HydrophobicContact CD2-CE1 4.29Å; L83-F175 HydrophobicContact CG-CD1 4.26Å; L83-F175 HydrophobicContact CG-CE1 3.6Å; L83-F175 HydrophobicContact CG-CZ 4.25Å
84	N	79.7	Confident	80.7	Confident	18 Å²	18	66.9 Å²	66.9	10%	0.096	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	28.5	-179.5	-57.3	90.9	0	0	0	113	V58 H60 T63 S80 D87 P88 I90	V58-N84 PolarHBondContact O-ND2 2.87Å; H60-N84 HydrophobicContact CB-CB 4.3Å; T63-N84 PolarHBondContact OG1-OD1 3.12Å; S80-N84 PolarHBondContact O-N 3.06Å; S80-N84 PolarHBondContact O-OD1 2.99Å; N84-D87 CarbonylContact C-O 3.56Å; N84-D87 VanDerWaalsContact CA-O 3.29Å; N84-D87 WeakPolarHBondContact CA-O 3.44Å; N84-P88 PolarHBondContact ND2-O 3.14Å; N84-I90 VanDerWaalsContact ND2-CD1 3.34Å; N84-I90 WeakPolarHBondContact ND2-CD1 3.29Å
85	S	72	Confident	81.7	Confident	85 Å²	85	64.1 Å²	64.1	59%	0.594	34%	0.337	S	S	*	.	S	Bend	trans	-66.2	-45.1	-178.6	174.3	0	0	0	0	111.4	R81 L83	R81-S85 VanDerWaalsContact O-CA 3.27Å; R81-S85 WeakPolarHBondContact O-CA 3.43Å; R81-S85 VanDerWaalsContact O-CB 3.26Å; R81-S85 WeakPolarHBondContact O-CB 3.35Å; R81-S85 PolarHBondContact O-N 2.97Å; R81-S85 VanDerWaalsContact O-N 3.13Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 2.93Å
86	D	69.5	Low	82.4	Confident	142 Å²	142	60.4 Å²	60.4	76%	0.759	32%	0.317	S	S	*	.	S	Bend	trans	-96.9	-42.3	-170.3	-61.6	-18.6	0	0	0	110.2
87	D	78.4	Confident	83	Confident	93 Å²	93	63.9 Å²	63.9	50%	0.497	33%	0.333	S	S	.	.			trans	-119.4	128.9	179.3	-64.2	-42.6	0	0	0	111.7	N84 L89	N84-D87 CarbonylContact C-O 3.56Å; N84-D87 VanDerWaalsContact CA-O 3.29Å; N84-D87 WeakPolarHBondContact CA-O 3.44Å; D87-L89 PolarHBondContact O-N 3.37Å
88	P	81	Confident	83.6	Confident	94 Å²	94	66 Å²	66	61%	0.61	34%	0.34	S	S	*	.	S	Bend	trans	-70.8	-21.1	-179	27.9	-33.8	0	0	0	113.3	N84	N84-P88 PolarHBondContact ND2-O 3.14Å
89	L	85.7	Confident	84.1	Confident	78 Å²	78	58.1 Å²	58.1	41%	0.408	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.4	-173.8	-67.3	158.7	0	0	0	107.5	E57 D59 D87	E57-L89 HydrophobicContact CB-CB 4.24Å; E57-L89 HydrophobicContact CB-CD2 4.19Å; E57-L89 WeakPolarHBondContact OE2-CD1 3.47Å; D59-L89 HydrophobicContact CB-CD2 4.13Å; D87-L89 PolarHBondContact O-N 3.37Å
90	I	86.7	Confident	84.5	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.7	-176.1	-60.1	170.2	0	0	0	109.3	H47 V58 L83 N84 D94 L95 M98	H47-I90 PolarHBondContact NE2-O 3.33Å; V58-I90 HydrophobicContact CB-CB 4.38Å; V58-I90 PolarHBondContact N-O 3.26Å; V58-I90 PolarHBondContact O-N 3.18Å; L83-I90 HydrophobicContact CB-CD1 4.11Å; N84-I90 VanDerWaalsContact ND2-CD1 3.34Å; N84-I90 WeakPolarHBondContact ND2-CD1 3.29Å; I90-D94 HydrophobicContact CG2-CB 4.1Å; I90-L95 HydrophobicContact CG2-CB 4.28Å; I90-M98 HydrophobicContact CG2-SD 4.47Å
91	S	91.1	Very high	85	Confident	29 Å²	29	66.9 Å²	66.9	20%	0.203	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	167.6	174.2	74.3	0	0	0	0	112.2	T93 D94 L95	S91-T93 PolarHBondContact O-N 2.95Å; S91-T93 PolarHBondContact OG-N 3.27Å; S91-D94 WeakPolarHBondContact CB-OD2 3.42Å; S91-D94 PolarHBondContact N-OD2 3.19Å; S91-D94 PolarHBondContact O-N 3.49Å; S91-D94 VanDerWaalsContact O-N 3.17Å; S91-D94 PolarHBondContact OG-N 2.94Å; S91-D94 PolarHBondContact OG-OD2 3.22Å; S91-L95 PolarHBondContact O-N 3.35Å
92	L	92.3	Very high	85.6	Confident	31 Å²	31	59.2 Å²	59.2	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-56.5	-40	173.2	174.4	59.7	0	0	0	111.9	Y40 I43 E44 H47 D94 L95 W96	Y40-L92 HydrophobicContact CE1-CD2 4.31Å; Y40-L92 VanDerWaalsContact OH-CD2 3.31Å; Y40-L92 WeakPolarHBondContact OH-CD2 3.48Å; I43-L92 HydrophobicContact CG2-CD1 4.12Å; E44-L92 HydrophobicContact CB-CD1 4.1Å; E44-L92 HydrophobicContact CB-CD2 4.29Å; E44-L92 HydrophobicContact CG-CD1 4.48Å; E44-L92 HydrophobicContact CG-CD2 3.99Å; H47-L92 HydrophobicContact CB-CD1 3.78Å; H47-L92 PolarHBondContact CD2-N 3.18Å; H47-L92 PolarHBondContact NE2-N 3.41Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-L95 PolarHBondContact O-N 2.99Å; L92-W96 PolarHBondContact O-N 2.94Å
93	T	90	Very high	86.2	Confident	80 Å²	80	57.7 Å²	57.7	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-40.6	178.6	-53.5	0	0	0	0	110.9	S91 W96 Q97	S91-T93 PolarHBondContact O-N 2.95Å; S91-T93 PolarHBondContact OG-N 3.27Å; T93-W96 PolarHBondContact O-N 3.25Å; T93-Q97 WeakPolarHBondContact O-CG 2.92Å; T93-Q97 PolarHBondContact O-N 3.42Å
94	D	90.4	Very high	86.9	Confident	61 Å²	61	57 Å²	57	33%	0.326	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-44.2	178	-57.7	-37.4	0	0	0	110.8	I90 S91 L92 W96 Q97 M98	I90-D94 HydrophobicContact CG2-CB 4.1Å; S91-D94 WeakPolarHBondContact CB-OD2 3.42Å; S91-D94 PolarHBondContact N-OD2 3.19Å; S91-D94 PolarHBondContact O-N 3.49Å; S91-D94 VanDerWaalsContact O-N 3.17Å; S91-D94 PolarHBondContact OG-N 2.94Å; S91-D94 PolarHBondContact OG-OD2 3.22Å; L92-D94 VanDerWaalsContact C-N 3.35Å; D94-W96 VanDerWaalsContact C-N 3.31Å; D94-W96 PolarHBondContact O-N 3.01Å; D94-Q97 PolarHBondContact O-N 3.15Å; D94-Q97 VanDerWaalsContact O-N 3.12Å; D94-M98 WeakPolarHBondContact O-CB 3.37Å; D94-M98 VanDerWaalsContact O-CG 3.27Å; D94-M98 WeakPolarHBondContact O-CG 3.34Å; D94-M98 PolarHBondContact O-N 3.23Å
95	L	91	Very high	87.5	Confident	7 Å²	7	57 Å²	57	4%	0.037	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-39.1	177.2	-169.8	62.3	0	0	0	112.1	I43 L46 H47 L50 I90 S91 L92 M98 W99 L174	I43-L95 HydrophobicContact CG2-CB 4.28Å; I43-L95 HydrophobicContact CG2-CD2 3.89Å; I43-L95 HydrophobicContact CG2-CG 3.9Å; L46-L95 HydrophobicContact CD2-CD2 4.36Å; L46-L95 HydrophobicContact CG-CD2 4.33Å; H47-L95 HydrophobicContact CB-CD2 4.07Å; L50-L95 HydrophobicContact CD1-CD2 4.31Å; I90-L95 HydrophobicContact CG2-CB 4.28Å; S91-L95 PolarHBondContact O-N 3.35Å; L92-L95 PolarHBondContact O-N 2.99Å; L95-M98 PolarHBondContact O-N 3.09Å; L95-W99 PolarHBondContact O-N 3.07Å; L95-L174 HydrophobicContact CD1-CD2 3.81Å
96	W	91.7	Very high	88.5	Confident	6 Å²	6	58.6 Å²	58.6	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-42.7	172.9	175.8	-121	0	0	0	112.3	I23 K36 S39 Y40 I43 L92 T93 D94 W99 R100	I23-W96 HydrophobicContact CG2-CZ2 3.96Å; K36-W96 HydrophobicContact CB-CH2 4.43Å; S39-W96 VanDerWaalsContact OG-CH2 3.3Å; S39-W96 WeakPolarHBondContact OG-CH2 3.44Å; S39-W96 WeakPolarHBondContact OG-CZ3 3.35Å; Y40-W96 HydrophobicContact CD2-CB 4.23Å; Y40-W96 AromaticContact CD2-CD2 3.67Å; Y40-W96 HydrophobicContact CD2-CD2 3.67Å; Y40-W96 AromaticContact CD2-CE3 3.92Å; Y40-W96 HydrophobicContact CD2-CE3 3.92Å; Y40-W96 AromaticContact CD2-CG 3.78Å; Y40-W96 HydrophobicContact CD2-CG 3.78Å; Y40-W96 HydrophobicContact CE2-CB 4.09Å; Y40-W96 HydrophobicContact CE2-CD2 4.34Å; Y40-W96 AromaticContact CE2-CG 3.96Å; Y40-W96 HydrophobicContact CE2-CG 3.96Å; I43-W96 HydrophobicContact CD1-CE3 3.49Å; I43-W96 VanDerWaalsContact CD1-CE3 3.49Å; I43-W96 HydrophobicContact CD1-CZ3 3.77Å; L92-W96 PolarHBondContact O-N 2.94Å; T93-W96 PolarHBondContact O-N 3.25Å; D94-W96 VanDerWaalsContact C-N 3.31Å; D94-W96 PolarHBondContact O-N 3.01Å; W96-W99 AromaticContact CZ3-CD1 3.81Å; W96-W99 PolarHBondContact O-N 3.24Å; W96-R100 HydrophobicContact CD2-CG 4.28Å; W96-R100 HydrophobicContact CZ2-CG 4.08Å; W96-R100 WeakPolarHBondContact O-CG 3.48Å; W96-R100 PolarHBondContact O-N 3.08Å
97	Q	89.5	Confident	89.6	Confident	73 Å²	73	54 Å²	54	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-39.5	176.8	-64.8	-56.6	-28.8	0	0	112.2	T93 D94 W99 R100 N101	T93-Q97 WeakPolarHBondContact O-CG 2.92Å; T93-Q97 PolarHBondContact O-N 3.42Å; D94-Q97 PolarHBondContact O-N 3.15Å; D94-Q97 VanDerWaalsContact O-N 3.12Å; Q97-W99 VanDerWaalsContact C-N 3.28Å; Q97-W99 PolarHBondContact O-N 2.72Å; Q97-R100 PolarHBondContact O-N 3.43Å; Q97-N101 WeakPolarHBondContact O-CB 3.4Å; Q97-N101 VanDerWaalsContact O-CG 3.26Å; Q97-N101 PolarHBondContact O-N 3.36Å; Q97-N101 PolarHBondContact O-ND2 2.75Å
98	M	88.9	Confident	90.3	Very high	67 Å²	67	52.9 Å²	52.9	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-44.7	172.9	-72.7	177.4	74.8	0	0	110.9	L83 I90 D94 L95 N101 N102	L83-M98 HydrophobicContact CD2-CE 3.62Å; I90-M98 HydrophobicContact CG2-SD 4.47Å; D94-M98 WeakPolarHBondContact O-CB 3.37Å; D94-M98 VanDerWaalsContact O-CG 3.27Å; D94-M98 WeakPolarHBondContact O-CG 3.34Å; D94-M98 PolarHBondContact O-N 3.23Å; L95-M98 PolarHBondContact O-N 3.09Å; M98-N101 PolarHBondContact O-N 3.15Å; M98-N102 PolarHBondContact O-N 3.43Å; M98-N102 VanDerWaalsContact O-N 3.09Å
99	W	92	Very high	91	Very high	1 Å²	1	50 Å²	50	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-44.3	176	175	-121.9	0	0	0	112.8	I43 L95 W96 Q97 N101 N102 A104 F105 G136 L139 P140 I172 I173	I43-W99 HydrophobicContact CD1-CB 3.69Å; I43-W99 HydrophobicContact CD1-CG 3.59Å; L95-W99 PolarHBondContact O-N 3.07Å; W96-W99 AromaticContact CZ3-CD1 3.81Å; W96-W99 PolarHBondContact O-N 3.24Å; Q97-W99 VanDerWaalsContact C-N 3.28Å; Q97-W99 PolarHBondContact O-N 2.72Å; W99-N101 VanDerWaalsContact C-N 3.27Å; W99-N101 PolarHBondContact O-N 3.05Å; W99-N102 HydrophobicContact CE3-CB 3.85Å; W99-N102 HydrophobicContact CZ3-CB 4.1Å; W99-N102 WeakPolarHBondContact O-CB 3.22Å; W99-N102 PolarHBondContact O-N 3.42Å; W99-N102 VanDerWaalsContact O-N 3.09Å; W99-A104 HydrophobicContact CH2-CB 4.05Å; W99-A104 HydrophobicContact CZ3-CB 4.05Å; W99-F105 AromaticContact CD1-CD2 3.81Å; W99-F105 HydrophobicContact CD2-CD2 4.4Å; W99-F105 AromaticContact CE2-CD2 3.78Å; W99-F105 HydrophobicContact CG-CD2 4.42Å; W99-F105 HydrophobicContact CZ2-CD2 4.24Å; W99-F105 AromaticContact NE1-CD2 3.42Å; W99-F105 AromaticContact NE1-CE2 3.8Å; W99-G136 VanDerWaalsContact CZ2-O 3.24Å; W99-G136 WeakPolarHBondContact CZ2-O 3.5Å; W99-L139 HydrophobicContact CH2-CB 4.07Å; W99-L139 HydrophobicContact CH2-CD1 4Å; W99-L139 HydrophobicContact CZ2-CB 4.17Å; W99-P140 HydrophobicContact CD2-CG 4.18Å; W99-P140 VanDerWaalsContact CE2-CG 3.5Å; W99-P140 HydrophobicContact CG-CG 4.43Å; W99-P140 HydrophobicContact CZ2-CG 3.84Å; W99-P140 VanDerWaalsContact NE1-CG 3.29Å; W99-I172 HydrophobicContact CZ3-CG2 4.22Å; W99-I173 HydrophobicContact CD2-CG2 4.27Å; W99-I173 HydrophobicContact CE3-CB 4.08Å; W99-I173 HydrophobicContact CE3-CG1 4.03Å; W99-I173 HydrophobicContact CE3-CG2 3.95Å; W99-I173 HydrophobicContact CH2-CG1 4.27Å; W99-I173 HydrophobicContact CZ3-CB 4.28Å; W99-I173 HydrophobicContact CZ3-CG1 3.89Å
100	R	90.9	Very high	91.4	Very high	89 Å²	89	54.6 Å²	54.6	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-34	177.7	-74.5	-179.3	62.5	-178.3	1.1	113.3	W96 Q97 N102 F105	W96-R100 HydrophobicContact CD2-CG 4.28Å; W96-R100 HydrophobicContact CZ2-CG 4.08Å; W96-R100 WeakPolarHBondContact O-CG 3.48Å; W96-R100 PolarHBondContact O-N 3.08Å; Q97-R100 PolarHBondContact O-N 3.43Å; R100-N102 VanDerWaalsContact C-N 3.3Å; R100-F105 HydrophobicContact CG-CE2 4.19Å; R100-F105 HydrophobicContact CG-CZ 4.49Å
101	N	89.2	Confident	91.7	Very high	131 Å²	131	55.8 Å²	55.8	70%	0.701	28%	0.284	S	S	*	.	H	α-helix	trans	-81.5	-11.7	177.5	-67.9	-24.5	0	0	0	112.8	Q97 M98 W99	Q97-N101 WeakPolarHBondContact O-CB 3.4Å; Q97-N101 VanDerWaalsContact O-CG 3.26Å; Q97-N101 PolarHBondContact O-N 3.36Å; Q97-N101 PolarHBondContact O-ND2 2.75Å; M98-N101 PolarHBondContact O-N 3.15Å; W99-N101 VanDerWaalsContact C-N 3.27Å; W99-N101 PolarHBondContact O-N 3.05Å
102	N	90.8	Very high	91.9	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.07	27%	0.274	C	S	.	.	S	Bend	trans	-68.1	130.5	178.5	-167.5	-39.2	0	0	0	110	M98 W99 R100 A104 F105 I172 I173 G176 P177	M98-N102 PolarHBondContact O-N 3.43Å; M98-N102 VanDerWaalsContact O-N 3.09Å; W99-N102 HydrophobicContact CE3-CB 3.85Å; W99-N102 HydrophobicContact CZ3-CB 4.1Å; W99-N102 WeakPolarHBondContact O-CB 3.22Å; W99-N102 PolarHBondContact O-N 3.42Å; W99-N102 VanDerWaalsContact O-N 3.09Å; R100-N102 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 2.88Å; N102-A104 WeakPolarHBondContact OD1-CB 3.45Å; N102-A104 PolarHBondContact OD1-N 2.89Å; N102-F105 WeakPolarHBondContact O-CB 3.15Å; N102-F105 PolarHBondContact O-N 3.31Å; N102-I172 PolarHBondContact ND2-O 2.88Å; N102-I173 PolarHBondContact ND2-O 3.33Å; N102-G176 WeakPolarHBondContact ND2-CA 3.06Å; N102-P177 WeakPolarHBondContact OD1-CD 3.38Å
103	P	91.4	Very high	91.9	Very high	87 Å²	87	53.2 Å²	53.2	57%	0.565	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.1	-22.5	177.7	23.2	-34.4	0	0	0	113.4	F105 P177	P103-F105 VanDerWaalsContact C-N 3.25Å; P103-F105 PolarHBondContact O-N 3.01Å; P103-P177 HydrophobicContact CB-CG 4.5Å; P103-P177 HydrophobicContact CG-CG 3.75Å
104	A	92.4	Very high	92.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.8	-19.9	174.7	0	0	0	0	0	114.1	W99 N102 N106 W107 G136 L139 I172	W99-A104 HydrophobicContact CH2-CB 4.05Å; W99-A104 HydrophobicContact CZ3-CB 4.05Å; N102-A104 PolarHBondContact O-N 2.88Å; N102-A104 WeakPolarHBondContact OD1-CB 3.45Å; N102-A104 PolarHBondContact OD1-N 2.89Å; A104-N106 PolarHBondContact O-N 3.47Å; A104-W107 HydrophobicContact CB-CD2 3.92Å; A104-W107 HydrophobicContact CB-CE3 4.2Å; A104-W107 HydrophobicContact CB-CG 4.42Å; A104-W107 HydrophobicContact CB-CH2 4.42Å; A104-W107 HydrophobicContact CB-CZ2 4.19Å; A104-W107 HydrophobicContact CB-CZ3 4.42Å; A104-W107 WeakPolarHBondContact O-CB 3.33Å; A104-W107 PolarHBondContact O-N 3.45Å; A104-W107 VanDerWaalsContact O-N 3.17Å; A104-G136 VanDerWaalsContact O-CA 3.3Å; A104-G136 WeakPolarHBondContact O-CA 3.24Å; A104-L139 HydrophobicContact CB-CD1 4.48Å; A104-I172 HydrophobicContact CB-CG2 3.31Å
105	F	92.4	Very high	92.2	Very high	18 Å²	18	51 Å²	51	8%	0.079	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-58.4	-34.8	177	-174.1	-93.5	0	0	0	112.3	W99 R100 N102 P103 R137	W99-F105 AromaticContact CD1-CD2 3.81Å; W99-F105 HydrophobicContact CD2-CD2 4.4Å; W99-F105 AromaticContact CE2-CD2 3.78Å; W99-F105 HydrophobicContact CG-CD2 4.42Å; W99-F105 HydrophobicContact CZ2-CD2 4.24Å; W99-F105 AromaticContact NE1-CD2 3.42Å; W99-F105 AromaticContact NE1-CE2 3.8Å; R100-F105 HydrophobicContact CG-CE2 4.19Å; R100-F105 HydrophobicContact CG-CZ 4.49Å; N102-F105 WeakPolarHBondContact O-CB 3.15Å; N102-F105 PolarHBondContact O-N 3.31Å; P103-F105 VanDerWaalsContact C-N 3.25Å; P103-F105 PolarHBondContact O-N 3.01Å; F105-R137 HydrophobicContact CE1-CG 4.14Å; F105-R137 HydrophobicContact CE2-CG 4.37Å; F105-R137 HydrophobicContact CZ-CG 4.05Å; F105-R137 PolarHBondContact O-N 2.93Å
106	N	92.3	Very high	92.4	Very high	117 Å²	117	50.6 Å²	50.6	63%	0.626	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-95.5	16.3	-177.9	-72.1	-28.7	0	0	0	113.7	A104	A104-N106 PolarHBondContact O-N 3.47Å
107	W	93.4	Very high	92.4	Very high	46 Å²	46	52.7 Å²	52.7	17%	0.174	26%	0.261	C	S	.	.			trans	-66.3	137.3	176.7	-77.3	-0.4	0	0	0	112.5	A104 D111 T112 W115 G136 L139 I172 P177	A104-W107 HydrophobicContact CB-CD2 3.92Å; A104-W107 HydrophobicContact CB-CE3 4.2Å; A104-W107 HydrophobicContact CB-CG 4.42Å; A104-W107 HydrophobicContact CB-CH2 4.42Å; A104-W107 HydrophobicContact CB-CZ2 4.19Å; A104-W107 HydrophobicContact CB-CZ3 4.42Å; A104-W107 WeakPolarHBondContact O-CB 3.33Å; A104-W107 PolarHBondContact O-N 3.45Å; A104-W107 VanDerWaalsContact O-N 3.17Å; W107-D111 HydrophobicContact CB-CB 4.11Å; W107-D111 HydrophobicContact CG-CB 4.12Å; W107-T112 HydrophobicContact CB-CG2 4.02Å; W107-T112 HydrophobicContact CE3-CG2 4.12Å; W107-W115 HydrophobicContact CH2-CB 4.16Å; W107-W115 HydrophobicContact CH2-CG 4.16Å; W107-W115 HydrophobicContact CZ3-CB 3.85Å; W107-W115 HydrophobicContact CZ3-CD2 4.34Å; W107-W115 AromaticContact CZ3-CG 3.85Å; W107-W115 HydrophobicContact CZ3-CG 3.85Å; W107-G136 PolarHBondContact O-N 3.04Å; W107-L139 HydrophobicContact CE3-CD1 3.8Å; W107-L139 HydrophobicContact CZ3-CD1 4.16Å; W107-I172 HydrophobicContact CH2-CD1 3.86Å; W107-I172 HydrophobicContact CH2-CG1 4.48Å; W107-I172 HydrophobicContact CZ3-CD1 3.69Å; W107-P177 HydrophobicContact CH2-CB 3.8Å; W107-P177 HydrophobicContact CZ2-CB 3.3Å; W107-P177 HydrophobicContact CZ2-CG 4.13Å
108	T	93.9	Very high	92.4	Very high	69 Å²	69	53.5 Å²	53.5	42%	0.423	27%	0.268	S	S	.	.			trans	-79.6	164.5	170.5	68.5	0	0	0	0	110.5	R110 D111 T112	T108-R110 PolarHBondContact O-N 3.36Å; T108-R110 VanDerWaalsContact O-N 3.13Å; T108-D111 WeakPolarHBondContact CB-OD2 3.48Å; T108-D111 PolarHBondContact N-OD2 3.2Å; T108-D111 PolarHBondContact O-N 3.1Å; T108-D111 PolarHBondContact OG1-N 3.13Å; T108-D111 PolarHBondContact OG1-OD1 3.41Å; T108-D111 PolarHBondContact OG1-OD2 2.83Å; T108-T112 PolarHBondContact O-N 3.4Å; T108-T112 PolarHBondContact O-OG1 3.46Å
109	V	94.7	Very high	92.4	Very high	35 Å²	35	52.6 Å²	52.6	21%	0.212	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-32.3	174	-177.1	0	0	0	0	112	T112 T113 R130 N133 L134 D135	V109-T112 WeakPolarHBondContact CA-OG1 3.34Å; V109-T112 PolarHBondContact O-OG1 3.5Å; V109-T113 VanDerWaalsContact O-CB 3.27Å; V109-T113 WeakPolarHBondContact O-CB 3.45Å; V109-T113 PolarHBondContact O-N 2.86Å; V109-T113 PolarHBondContact O-OG1 3.37Å; V109-R130 HydrophobicContact CG1-CG 4.41Å; V109-N133 HydrophobicContact CG2-CB 4.4Å; V109-L134 WeakPolarHBondContact CA-O 3.45Å; V109-D135 HydrophobicContact CG2-CB 4.41Å
110	R	94.4	Very high	92.4	Very high	173 Å²	173	52.6 Å²	52.6	65%	0.653	26%	0.264	S	S	*	.	H	α-helix	trans	-68.3	-41.4	175.9	-177.4	-169.8	62	129	13.5	111.4	T108 T113 Q114	T108-R110 PolarHBondContact O-N 3.36Å; T108-R110 VanDerWaalsContact O-N 3.13Å; R110-T113 PolarHBondContact O-N 3.03Å; R110-Q114 WeakPolarHBondContact O-CB 3.25Å; R110-Q114 PolarHBondContact O-N 3.1Å
111	D	93.8	Very high	92.4	Very high	39 Å²	39	52.8 Å²	52.8	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-40.8	-178.1	-49.2	-40.5	0	0	0	110.7	W107 T108 Q114 W115	W107-D111 HydrophobicContact CB-CB 4.11Å; W107-D111 HydrophobicContact CG-CB 4.12Å; T108-D111 WeakPolarHBondContact CB-OD2 3.48Å; T108-D111 PolarHBondContact N-OD2 3.2Å; T108-D111 PolarHBondContact O-N 3.1Å; T108-D111 PolarHBondContact OG1-N 3.13Å; T108-D111 PolarHBondContact OG1-OD1 3.41Å; T108-D111 PolarHBondContact OG1-OD2 2.83Å; D111-Q114 PolarHBondContact O-N 3.18Å; D111-W115 WeakPolarHBondContact O-CB 3.44Å; D111-W115 PolarHBondContact O-N 3.42Å
112	T	93.9	Very high	92.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-40.4	172.7	57.2	0	0	0	0	111.5	W107 T108 V109 W115 L116 L134 L139	W107-T112 HydrophobicContact CB-CG2 4.02Å; W107-T112 HydrophobicContact CE3-CG2 4.12Å; T108-T112 PolarHBondContact O-N 3.4Å; T108-T112 PolarHBondContact O-OG1 3.46Å; V109-T112 WeakPolarHBondContact CA-OG1 3.34Å; V109-T112 PolarHBondContact O-OG1 3.5Å; T112-W115 WeakPolarHBondContact O-CB 3.41Å; T112-W115 PolarHBondContact O-N 3.09Å; T112-L116 WeakPolarHBondContact O-CB 3.27Å; T112-L116 PolarHBondContact O-N 3.36Å; T112-L134 PolarHBondContact OG1-O 3.28Å; T112-L139 HydrophobicContact CG2-CD2 4.3Å; T112-L139 HydrophobicContact CG2-CG 4.43Å
113	T	93.7	Very high	92.6	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-40.9	174.8	-56.7	0	0	0	0	111.4	V109 R110 L116 V117 A126	V109-T113 VanDerWaalsContact O-CB 3.27Å; V109-T113 WeakPolarHBondContact O-CB 3.45Å; V109-T113 PolarHBondContact O-N 2.86Å; V109-T113 PolarHBondContact O-OG1 3.37Å; R110-T113 PolarHBondContact O-N 3.03Å; T113-L116 WeakPolarHBondContact O-CB 3.44Å; T113-L116 PolarHBondContact O-N 3.31Å; T113-V117 VanDerWaalsContact O-CG2 3.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.38Å; T113-V117 PolarHBondContact O-N 3.5Å; T113-A126 HydrophobicContact CG2-CB 3.67Å
114	Q	92.8	Very high	92.7	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-39.2	176.9	-174.8	175.8	-12.2	0	0	111.6	R110 D111 V117 N118	R110-Q114 WeakPolarHBondContact O-CB 3.25Å; R110-Q114 PolarHBondContact O-N 3.1Å; D111-Q114 PolarHBondContact O-N 3.18Å; Q114-V117 PolarHBondContact O-N 2.96Å; Q114-N118 WeakPolarHBondContact CG-ND2 3.48Å; Q114-N118 VanDerWaalsContact O-CB 3.3Å; Q114-N118 WeakPolarHBondContact O-CB 3.32Å; Q114-N118 PolarHBondContact O-N 2.83Å
115	W	93.6	Very high	92.8	Very high	9 Å²	9	53 Å²	53	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-46.6	171.6	162.9	77.2	0	0	0	111.6	W107 D111 T112 V117 L119 V120 F129 L139 L142 L165 R168 A169 I172	W107-W115 HydrophobicContact CH2-CB 4.16Å; W107-W115 HydrophobicContact CH2-CG 4.16Å; W107-W115 HydrophobicContact CZ3-CB 3.85Å; W107-W115 HydrophobicContact CZ3-CD2 4.34Å; W107-W115 AromaticContact CZ3-CG 3.85Å; W107-W115 HydrophobicContact CZ3-CG 3.85Å; D111-W115 WeakPolarHBondContact O-CB 3.44Å; D111-W115 PolarHBondContact O-N 3.42Å; T112-W115 WeakPolarHBondContact O-CB 3.41Å; T112-W115 PolarHBondContact O-N 3.09Å; W115-V117 VanDerWaalsContact C-N 3.31Å; W115-V117 PolarHBondContact O-N 2.88Å; W115-L119 HydrophobicContact CG-CD1 4.48Å; W115-L119 WeakPolarHBondContact O-CA 3.45Å; W115-L119 WeakPolarHBondContact O-CB 3.22Å; W115-L119 PolarHBondContact O-N 2.96Å; W115-V120 HydrophobicContact CD2-CG2 3.7Å; W115-V120 HydrophobicContact CE3-CG2 4.08Å; W115-V120 HydrophobicContact CG-CG2 4.39Å; W115-V120 HydrophobicContact CH2-CG2 3.8Å; W115-V120 HydrophobicContact CZ2-CG2 3.34Å; W115-V120 HydrophobicContact CZ3-CG2 4.12Å; W115-V120 PolarHBondContact O-N 3.34Å; W115-V120 VanDerWaalsContact O-N 3.1Å; W115-F129 HydrophobicContact CZ3-CE1 4.2Å; W115-L139 HydrophobicContact CZ3-CD2 4.08Å; W115-L142 HydrophobicContact CZ3-CD1 4.42Å; W115-L165 HydrophobicContact CH2-CD1 3.57Å; W115-L165 HydrophobicContact CZ3-CD1 3.77Å; W115-R168 HydrophobicContact CH2-CB 4.42Å; W115-R168 HydrophobicContact CZ2-CB 3.63Å; W115-A169 HydrophobicContact CH2-CB 4.29Å; W115-I172 HydrophobicContact CD2-CD1 3.87Å; W115-I172 HydrophobicContact CG-CD1 4.09Å; W115-I172 HydrophobicContact CH2-CD1 4.36Å; W115-I172 HydrophobicContact CZ2-CD1 3.47Å; W115-I172 VanDerWaalsContact CZ2-CD1 3.47Å
116	L	94.1	Very high	92.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-42.2	178.1	-179.1	74.7	0	0	0	112.2	T112 T113 V120 D121 L122 F129 L165	T112-L116 WeakPolarHBondContact O-CB 3.27Å; T112-L116 PolarHBondContact O-N 3.36Å; T113-L116 WeakPolarHBondContact O-CB 3.44Å; T113-L116 PolarHBondContact O-N 3.31Å; L116-V120 HydrophobicContact CD1-CB 4.28Å; L116-V120 HydrophobicContact CD1-CG1 4.35Å; L116-V120 CarbonylContact O-C 3.58Å; L116-V120 WeakPolarHBondContact O-CB 3.34Å; L116-D121 PolarHBondContact O-N 2.85Å; L116-D121 VanDerWaalsContact O-N 3.14Å; L116-L122 HydrophobicContact CD1-CB 3.86Å; L116-L122 HydrophobicContact CG-CB 4.29Å; L116-L122 WeakPolarHBondContact CG-O 3.37Å; L116-L122 PolarHBondContact O-N 3.31Å; L116-F129 HydrophobicContact CD1-CE1 4.45Å; L116-F129 HydrophobicContact CD1-CE2 4.14Å; L116-F129 HydrophobicContact CD1-CZ 3.97Å; L116-F129 HydrophobicContact CD2-CD1 4.22Å; L116-F129 HydrophobicContact CD2-CD2 3.67Å; L116-F129 HydrophobicContact CD2-CE1 4.39Å; L116-F129 HydrophobicContact CD2-CE2 3.86Å; L116-F129 HydrophobicContact CD2-CG 3.87Å; L116-F129 HydrophobicContact CD2-CZ 4.22Å; L116-L165 HydrophobicContact CD1-CD1 3.82Å
117	V	92.8	Very high	92.9	Very high	50 Å²	50	52 Å²	52	30%	0.303	26%	0.262	S	S	.	.	H	α-helix	trans	-74.6	-48.5	-178.9	175.4	0	0	0	0	111.7	T113 Q114 W115 P123 A126	T113-V117 VanDerWaalsContact O-CG2 3.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.38Å; T113-V117 PolarHBondContact O-N 3.5Å; Q114-V117 PolarHBondContact O-N 2.96Å; W115-V117 VanDerWaalsContact C-N 3.31Å; W115-V117 PolarHBondContact O-N 2.88Å; V117-P123 HydrophobicContact CG1-CB 4.25Å; V117-P123 HydrophobicContact CG2-CB 4.11Å; V117-A126 HydrophobicContact CG2-CB 4.17Å
118	N	90	Very high	92.9	Very high	89 Å²	89	51.3 Å²	51.3	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-92.3	-24.1	-167	-65.3	-3.1	0	0	0	114.4	Q114	Q114-N118 WeakPolarHBondContact CG-ND2 3.48Å; Q114-N118 VanDerWaalsContact O-CB 3.3Å; Q114-N118 WeakPolarHBondContact O-CB 3.32Å; Q114-N118 PolarHBondContact O-N 2.83Å
119	L	88.6	Confident	92.9	Very high	49 Å²	49	48 Å²	48	26%	0.257	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-32.8	-172.9	-66.7	166.7	0	0	0	112.6	W115 P178	W115-L119 HydrophobicContact CG-CD1 4.48Å; W115-L119 WeakPolarHBondContact O-CA 3.45Å; W115-L119 WeakPolarHBondContact O-CB 3.22Å; W115-L119 PolarHBondContact O-N 2.96Å; L119-P178 HydrophobicContact CD1-CG 3.48Å; L119-P178 VanDerWaalsContact CD1-CG 3.48Å; L119-P178 HydrophobicContact CD2-CG 3.99Å; L119-P178 HydrophobicContact CG-CG 4.33Å
120	V	90.8	Very high	92.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-91.2	-16.8	174	-167.4	0	0	0	0	111.5	W115 L116 L122 K164 L165 R168	W115-V120 HydrophobicContact CD2-CG2 3.7Å; W115-V120 HydrophobicContact CE3-CG2 4.08Å; W115-V120 HydrophobicContact CG-CG2 4.39Å; W115-V120 HydrophobicContact CH2-CG2 3.8Å; W115-V120 HydrophobicContact CZ2-CG2 3.34Å; W115-V120 HydrophobicContact CZ3-CG2 4.12Å; W115-V120 PolarHBondContact O-N 3.34Å; W115-V120 VanDerWaalsContact O-N 3.1Å; L116-V120 HydrophobicContact CD1-CB 4.28Å; L116-V120 HydrophobicContact CD1-CG1 4.35Å; L116-V120 CarbonylContact O-C 3.58Å; L116-V120 WeakPolarHBondContact O-CB 3.34Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 HydrophobicContact CG1-CB 4.37Å; V120-L122 HydrophobicContact CG1-CD1 3.72Å; V120-L122 HydrophobicContact CG1-CG 3.98Å; V120-L122 PolarHBondContact O-N 2.96Å; V120-K164 HydrophobicContact CG1-CD 4.47Å; V120-K164 HydrophobicContact CG1-CG 4.31Å; V120-K164 WeakPolarHBondContact O-CD 3.44Å; V120-K164 WeakPolarHBondContact O-CE 3.48Å; V120-K164 PolarHBondContact O-NZ 3.33Å; V120-L165 HydrophobicContact CG1-CD1 4.19Å; V120-R168 HydrophobicContact CG1-CG 4.27Å; V120-R168 HydrophobicContact CG2-CB 3.97Å; V120-R168 HydrophobicContact CG2-CG 4.17Å
121	D	91	Very high	92.8	Very high	94 Å²	94	51.6 Å²	51.6	50%	0.503	26%	0.258	S	S	.	.			trans	54	39.9	-175.5	-38.9	-57.5	0	0	0	113.3	L116 P123 K164	L116-D121 PolarHBondContact O-N 2.85Å; L116-D121 VanDerWaalsContact O-N 3.14Å; D121-P123 WeakPolarHBondContact O-CD 3.45Å; D121-K164 IonicContact OD2-NZ 3.39Å; D121-K164 PolarHBondContact OD2-NZ 3.06Å; D121-K164 VanDerWaalsContact OD2-NZ 3.1Å
122	L	92.3	Very high	92.7	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	26%	0.264	C	S	.	.			trans	-121.9	59.3	177.6	-68.4	178.9	0	0	0	111.9	L116 V120 Q124 Y125 H161 L165	L116-L122 HydrophobicContact CD1-CB 3.86Å; L116-L122 HydrophobicContact CG-CB 4.29Å; L116-L122 WeakPolarHBondContact CG-O 3.37Å; L116-L122 PolarHBondContact O-N 3.31Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 HydrophobicContact CG1-CB 4.37Å; V120-L122 HydrophobicContact CG1-CD1 3.72Å; V120-L122 HydrophobicContact CG1-CG 3.98Å; V120-L122 PolarHBondContact O-N 2.96Å; L122-Q124 PolarHBondContact O-N 3.27Å; L122-Q124 VanDerWaalsContact O-N 3.12Å; L122-Y125 HydrophobicContact CB-CD2 4.05Å; L122-Y125 HydrophobicContact CD1-CD2 4.3Å; L122-Y125 HydrophobicContact CD1-CE2 4.37Å; L122-Y125 HydrophobicContact CD2-CE2 4.43Å; L122-Y125 PolarHBondContact O-N 3.4Å; L122-H161 HydrophobicContact CD1-CB 4.18Å; L122-H161 HydrophobicContact CD2-CB 4.43Å; L122-L165 HydrophobicContact CD1-CB 4.49Å
123	P	92.8	Very high	92.6	Very high	74 Å²	74	58.8 Å²	58.8	48%	0.481	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-61	-25.3	-177.2	26	-35.2	0	0	0	113.6	V117 D121 Y125 A126	V117-P123 HydrophobicContact CG1-CB 4.25Å; V117-P123 HydrophobicContact CG2-CB 4.11Å; D121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-Y125 PolarHBondContact O-N 3.27Å; P123-Y125 VanDerWaalsContact O-N 3.14Å; P123-A126 WeakPolarHBondContact O-CB 3.31Å; P123-A126 PolarHBondContact O-N 3.47Å
124	Q	92.9	Very high	92.5	Very high	119 Å²	119	58.7 Å²	58.7	56%	0.556	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-59.9	-21.7	178.6	64.2	-170.7	80.1	0	0	114.7	L122 H161	L122-Q124 PolarHBondContact O-N 3.27Å; L122-Q124 VanDerWaalsContact O-N 3.12Å; Q124-H161 PolarHBondContact NE2-CE1 2.89Å; Q124-H161 VanDerWaalsContact NE2-CE1 3.35Å; Q124-H161 PolarHBondContact NE2-ND1 2.97Å
125	Y	94.6	Very high	92.5	Very high	35 Å²	35	56.5 Å²	56.5	14%	0.137	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-101.3	6.7	176.7	-54.6	-62.4	0	0	0	112.7	L122 P123 D127 L128 F129 I156 H161	L122-Y125 HydrophobicContact CB-CD2 4.05Å; L122-Y125 HydrophobicContact CD1-CD2 4.3Å; L122-Y125 HydrophobicContact CD1-CE2 4.37Å; L122-Y125 HydrophobicContact CD2-CE2 4.43Å; L122-Y125 PolarHBondContact O-N 3.4Å; P123-Y125 PolarHBondContact O-N 3.27Å; P123-Y125 VanDerWaalsContact O-N 3.14Å; Y125-D127 VanDerWaalsContact C-N 3.33Å; Y125-D127 PolarHBondContact O-N 3.01Å; Y125-L128 HydrophobicContact CD1-CD2 4.44Å; Y125-L128 WeakPolarHBondContact O-CB 3.29Å; Y125-L128 PolarHBondContact O-N 3Å; Y125-F129 VanDerWaalsContact O-CD2 3.3Å; Y125-F129 WeakPolarHBondContact O-CD2 3.39Å; Y125-F129 PolarHBondContact O-N 3.47Å; Y125-I156 HydrophobicContact CD1-CD1 4.25Å; Y125-I156 HydrophobicContact CD1-CG1 3.97Å; Y125-I156 HydrophobicContact CD2-CD1 4.26Å; Y125-I156 HydrophobicContact CE1-CB 4.49Å; Y125-I156 HydrophobicContact CE1-CD1 4.45Å; Y125-I156 HydrophobicContact CE1-CG1 3.88Å; Y125-I156 HydrophobicContact CE1-CG2 4.26Å; Y125-I156 HydrophobicContact CE2-CD1 4.48Å; Y125-I156 HydrophobicContact CE2-CG2 4.23Å; Y125-I156 HydrophobicContact CG-CD1 4.15Å; Y125-I156 HydrophobicContact CG-CG1 4.38Å; Y125-H161 HydrophobicContact CE2-CB 3.84Å; Y125-H161 AromaticContact CE2-CG 3.89Å; Y125-H161 AromaticContact CE2-ND1 3.33Å; Y125-H161 VanDerWaalsContact CE2-ND1 3.33Å; Y125-H161 WeakPolarHBondContact CE2-ND1 3.41Å; Y125-H161 AromaticContact CZ-ND1 3.48Å; Y125-H161 PolarHBondContact OH-ND1 3.47Å
126	A	93.5	Very high	92.4	Very high	7 Å²	7	56 Å²	56	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-41.4	-178.6	0	0	0	0	0	112.6	T113 V117 P123 L128 F129 R130	T113-A126 HydrophobicContact CG2-CB 3.67Å; V117-A126 HydrophobicContact CG2-CB 4.17Å; P123-A126 WeakPolarHBondContact O-CB 3.31Å; P123-A126 PolarHBondContact O-N 3.47Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 3.34Å; A126-F129 PolarHBondContact O-N 3.32Å; A126-R130 WeakPolarHBondContact O-CG 3.32Å; A126-R130 PolarHBondContact O-N 3.03Å; A126-R130 VanDerWaalsContact O-N 3.17Å
127	D	93.4	Very high	92.3	Very high	107 Å²	107	59.7 Å²	59.7	57%	0.572	30%	0.296	S	S	*	.	H	α-helix	trans	-69.9	-33	179.7	-64.7	-36.9	0	0	0	112	Y125 R130 Q131	Y125-D127 VanDerWaalsContact C-N 3.33Å; Y125-D127 PolarHBondContact O-N 3.01Å; D127-R130 PolarHBondContact O-N 2.9Å; D127-R130 IonicContact OD1-CZ 3.75Å; D127-R130 IonicContact OD1-NH1 3.15Å; D127-R130 PolarHBondContact OD1-NH1 3.34Å; D127-Q131 VanDerWaalsContact O-CB 3.29Å; D127-Q131 WeakPolarHBondContact O-CB 3.41Å; D127-Q131 PolarHBondContact O-N 2.84Å
128	L	92.9	Very high	92.2	Very high	32 Å²	32	57.6 Å²	57.6	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-42.5	173.6	-173.2	78.1	0	0	0	111.5	Y125 A126 R130 Q131 H132 L154 I156	Y125-L128 HydrophobicContact CD1-CD2 4.44Å; Y125-L128 WeakPolarHBondContact O-CB 3.29Å; Y125-L128 PolarHBondContact O-N 3Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 3.34Å; L128-R130 VanDerWaalsContact C-N 3.29Å; L128-R130 PolarHBondContact O-N 3.34Å; L128-Q131 PolarHBondContact O-N 3.11Å; L128-H132 PolarHBondContact O-CD2 2.78Å; L128-H132 VanDerWaalsContact O-CD2 3.31Å; L128-H132 PolarHBondContact O-N 2.95Å; L128-L154 HydrophobicContact CD1-CD2 4.48Å; L128-L154 HydrophobicContact CD2-CB 3.72Å; L128-L154 HydrophobicContact CD2-CD2 3.72Å; L128-L154 HydrophobicContact CD2-CG 4.22Å; L128-L154 WeakPolarHBondContact CD2-O 2.99Å; L128-L154 HydrophobicContact CG-CD2 3.81Å; L128-I156 HydrophobicContact CD2-CD1 4.46Å; L128-I156 HydrophobicContact CD2-CG1 4.2Å
129	F	94.1	Very high	92.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-39.4	175.9	-87.8	-124.3	0	0	0	111.8	W115 L116 Y125 A126 N133 L134 L142 L165	W115-F129 HydrophobicContact CZ3-CE1 4.2Å; L116-F129 HydrophobicContact CD1-CE1 4.45Å; L116-F129 HydrophobicContact CD1-CE2 4.14Å; L116-F129 HydrophobicContact CD1-CZ 3.97Å; L116-F129 HydrophobicContact CD2-CD1 4.22Å; L116-F129 HydrophobicContact CD2-CD2 3.67Å; L116-F129 HydrophobicContact CD2-CE1 4.39Å; L116-F129 HydrophobicContact CD2-CE2 3.86Å; L116-F129 HydrophobicContact CD2-CG 3.87Å; L116-F129 HydrophobicContact CD2-CZ 4.22Å; Y125-F129 VanDerWaalsContact O-CD2 3.3Å; Y125-F129 WeakPolarHBondContact O-CD2 3.39Å; Y125-F129 PolarHBondContact O-N 3.47Å; A126-F129 PolarHBondContact O-N 3.32Å; F129-N133 PolarHBondContact O-N 2.73Å; F129-L134 HydrophobicContact CB-CB 4.49Å; F129-L134 HydrophobicContact CB-CD1 4.31Å; F129-L134 HydrophobicContact CD1-CB 4.02Å; F129-L134 HydrophobicContact CD1-CD1 3.71Å; F129-L134 HydrophobicContact CD1-CG 4.43Å; F129-L134 HydrophobicContact CD2-CD1 3.76Å; F129-L134 HydrophobicContact CE1-CD1 3.82Å; F129-L134 HydrophobicContact CE2-CD1 3.87Å; F129-L134 HydrophobicContact CG-CB 4.37Å; F129-L134 HydrophobicContact CG-CD1 3.67Å; F129-L134 HydrophobicContact CG-CG 4.41Å; F129-L134 HydrophobicContact CZ-CD1 3.9Å; F129-L134 PolarHBondContact O-N 3.21Å; F129-L142 HydrophobicContact CE1-CD1 4.07Å; F129-L142 HydrophobicContact CZ-CD1 3.93Å; F129-L142 HydrophobicContact CZ-CD2 4.5Å; F129-L165 HydrophobicContact CE2-CD2 4.24Å; F129-L165 HydrophobicContact CZ-CD1 4.11Å; F129-L165 HydrophobicContact CZ-CD2 4.02Å
130	R	94.4	Very high	92.7	Very high	134 Å²	134	51.2 Å²	51.2	51%	0.506	25%	0.25	S	C	.	.	H	α-helix	trans	-69.3	-44.9	174.7	-66.2	173.7	-171.9	145	-2.5	112	V109 A126 D127 L128 H132 N133	V109-R130 HydrophobicContact CG1-CG 4.41Å; A126-R130 WeakPolarHBondContact O-CG 3.32Å; A126-R130 PolarHBondContact O-N 3.03Å; A126-R130 VanDerWaalsContact O-N 3.17Å; D127-R130 PolarHBondContact O-N 2.9Å; D127-R130 IonicContact OD1-CZ 3.75Å; D127-R130 IonicContact OD1-NH1 3.15Å; D127-R130 PolarHBondContact OD1-NH1 3.34Å; L128-R130 VanDerWaalsContact C-N 3.29Å; L128-R130 PolarHBondContact O-N 3.34Å; R130-H132 VanDerWaalsContact C-N 3.31Å; R130-H132 PolarHBondContact O-N 3.21Å; R130-N133 PolarHBondContact O-N 3Å; R130-N133 VanDerWaalsContact O-N 3.15Å; R130-N133 PolarHBondContact O-OD1 3.06Å
131	Q	93	Very high	92.8	Very high	150 Å²	150	53.6 Å²	53.6	70%	0.701	26%	0.259	S	S	*	.	H	α-helix	trans	-62.2	-38.8	-178.3	-175.1	178.2	7.8	0	0	112.1	D127 L128	D127-Q131 VanDerWaalsContact O-CB 3.29Å; D127-Q131 WeakPolarHBondContact O-CB 3.41Å; D127-Q131 PolarHBondContact O-N 2.84Å; L128-Q131 PolarHBondContact O-N 3.11Å
132	H	91.2	Very high	93	Very high	73 Å²	73	49.2 Å²	49.2	34%	0.338	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.9	178.2	-71.1	-85.5	0	0	0	114	L128 R130 L134 V153 L154	L128-H132 PolarHBondContact O-CD2 2.78Å; L128-H132 VanDerWaalsContact O-CD2 3.31Å; L128-H132 PolarHBondContact O-N 2.95Å; R130-H132 VanDerWaalsContact C-N 3.31Å; R130-H132 PolarHBondContact O-N 3.21Å; H132-L134 VanDerWaalsContact C-N 3.33Å; H132-L134 HydrophobicContact CB-CD2 4.06Å; H132-L134 HydrophobicContact CB-CG 4.17Å; H132-L134 PolarHBondContact O-N 3.22Å; H132-V153 PolarHBondContact CE1-O 2.88Å; H132-L154 HydrophobicContact CB-CD2 4.22Å
133	N	91.6	Very high	93	Very high	117 Å²	117	49.4 Å²	49.4	63%	0.626	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	47.5	-178.3	-66.6	-50.5	0	0	0	113.6	V109 F129 R130 D135	V109-N133 HydrophobicContact CG2-CB 4.4Å; F129-N133 PolarHBondContact O-N 2.73Å; R130-N133 PolarHBondContact O-N 3Å; R130-N133 VanDerWaalsContact O-N 3.15Å; R130-N133 PolarHBondContact O-OD1 3.06Å; N133-D135 PolarHBondContact O-N 3.16Å
134	L	92.1	Very high	92.9	Very high	2 Å²	2	47 Å²	47	1%	0.01	22%	0.221	C	C	.	.			trans	-72.1	99.2	-178.7	-60.9	-171.4	0	0	0	111.2	V109 T112 F129 H132 L142 Y149 L154	V109-L134 WeakPolarHBondContact CA-O 3.45Å; T112-L134 PolarHBondContact OG1-O 3.28Å; F129-L134 HydrophobicContact CB-CB 4.49Å; F129-L134 HydrophobicContact CB-CD1 4.31Å; F129-L134 HydrophobicContact CD1-CB 4.02Å; F129-L134 HydrophobicContact CD1-CD1 3.71Å; F129-L134 HydrophobicContact CD1-CG 4.43Å; F129-L134 HydrophobicContact CD2-CD1 3.76Å; F129-L134 HydrophobicContact CE1-CD1 3.82Å; F129-L134 HydrophobicContact CE2-CD1 3.87Å; F129-L134 HydrophobicContact CG-CB 4.37Å; F129-L134 HydrophobicContact CG-CD1 3.67Å; F129-L134 HydrophobicContact CG-CG 4.41Å; F129-L134 HydrophobicContact CZ-CD1 3.9Å; F129-L134 PolarHBondContact O-N 3.21Å; H132-L134 VanDerWaalsContact C-N 3.33Å; H132-L134 HydrophobicContact CB-CD2 4.06Å; H132-L134 HydrophobicContact CB-CG 4.17Å; H132-L134 PolarHBondContact O-N 3.22Å; L134-L142 HydrophobicContact CD1-CD2 4.45Å; L134-Y149 HydrophobicContact CD2-CE1 4.28Å; L134-Y149 WeakPolarHBondContact CD2-OH 3.5Å; L134-L154 HydrophobicContact CD1-CD1 4.04Å; L134-L154 HydrophobicContact CD1-CD2 3.95Å
135	D	92.1	Very high	92.6	Very high	39 Å²	39	45.9 Å²	45.9	21%	0.209	22%	0.215	C	C	.	.			trans	-91.2	175.3	173.5	70.3	-9.9	0	0	0	111.8	V109 N133 R137 S138	V109-D135 HydrophobicContact CG2-CB 4.41Å; N133-D135 PolarHBondContact O-N 3.16Å; D135-R137 PolarHBondContact O-N 3.12Å; D135-R137 PolarHBondContact OD1-N 3.36Å; D135-S138 PolarHBondContact N-OG 3.21Å; D135-S138 PolarHBondContact O-N 3Å; D135-S138 VanDerWaalsContact O-N 3.14Å; D135-S138 PolarHBondContact O-OG 3.23Å; D135-S138 PolarHBondContact OD1-N 3.37Å; D135-S138 VanDerWaalsContact OD1-N 3.14Å
136	G	92.5	Very high	92.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.9	-41.5	177.9	0	0	0	0	0	112.7	W99 A104 W107 S138 L139	W99-G136 VanDerWaalsContact CZ2-O 3.24Å; W99-G136 WeakPolarHBondContact CZ2-O 3.5Å; A104-G136 VanDerWaalsContact O-CA 3.3Å; A104-G136 WeakPolarHBondContact O-CA 3.24Å; W107-G136 PolarHBondContact O-N 3.04Å; G136-S138 PolarHBondContact O-N 3.08Å; G136-L139 VanDerWaalsContact O-CB 3.26Å; G136-L139 WeakPolarHBondContact O-CB 3.44Å; G136-L139 WeakPolarHBondContact O-CG 3.49Å; G136-L139 PolarHBondContact O-N 3.08Å
137	R	91.5	Very high	92.1	Very high	76 Å²	76	50.1 Å²	50.1	29%	0.287	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.5	-30.7	-178.1	-57.2	174.3	-174.7	168.7	5.8	112.9	S32 T35 S39 F105 D135 P140	S32-R137 PolarHBondContact OG-NH1 3.22Å; T35-R137 HydrophobicContact CG2-CB 4.05Å; S39-R137 VanDerWaalsContact CB-O 3.29Å; S39-R137 WeakPolarHBondContact CB-O 3.31Å; F105-R137 HydrophobicContact CE1-CG 4.14Å; F105-R137 HydrophobicContact CE2-CG 4.37Å; F105-R137 HydrophobicContact CZ-CG 4.05Å; F105-R137 PolarHBondContact O-N 2.93Å; D135-R137 PolarHBondContact O-N 3.12Å; D135-R137 PolarHBondContact OD1-N 3.36Å; R137-P140 WeakPolarHBondContact O-CD 3.45Å
138	S	92	Very high	91.9	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.042	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-81.9	-11.7	178.8	72.4	0	0	0	0	114.7	D135 G136 P140 R141	D135-S138 PolarHBondContact N-OG 3.21Å; D135-S138 PolarHBondContact O-N 3Å; D135-S138 VanDerWaalsContact O-N 3.14Å; D135-S138 PolarHBondContact O-OG 3.23Å; D135-S138 PolarHBondContact OD1-N 3.37Å; D135-S138 VanDerWaalsContact OD1-N 3.14Å; G136-S138 PolarHBondContact O-N 3.08Å; S138-P140 VanDerWaalsContact C-CD 3.46Å; S138-R141 VanDerWaalsContact O-CB 3.31Å; S138-R141 WeakPolarHBondContact O-CB 3.26Å; S138-R141 PolarHBondContact O-N 3.35Å
139	L	93.8	Very high	91.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-54.6	-39.4	-175.8	-74.1	174.5	0	0	0	114.9	W99 A104 W107 T112 W115 G136 R141 L142 I172	W99-L139 HydrophobicContact CH2-CB 4.07Å; W99-L139 HydrophobicContact CH2-CD1 4Å; W99-L139 HydrophobicContact CZ2-CB 4.17Å; A104-L139 HydrophobicContact CB-CD1 4.48Å; W107-L139 HydrophobicContact CE3-CD1 3.8Å; W107-L139 HydrophobicContact CZ3-CD1 4.16Å; T112-L139 HydrophobicContact CG2-CD2 4.3Å; T112-L139 HydrophobicContact CG2-CG 4.43Å; W115-L139 HydrophobicContact CZ3-CD2 4.08Å; G136-L139 VanDerWaalsContact O-CB 3.26Å; G136-L139 WeakPolarHBondContact O-CB 3.44Å; G136-L139 WeakPolarHBondContact O-CG 3.49Å; G136-L139 PolarHBondContact O-N 3.08Å; L139-R141 PolarHBondContact O-N 3.48Å; L139-R141 VanDerWaalsContact O-N 3.13Å; L139-L142 HydrophobicContact CD2-CD1 3.76Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 PolarHBondContact O-N 2.79Å; L139-I172 HydrophobicContact CD1-CG2 4.39Å
140	P	94.3	Very high	91.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.013	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32.9	176.6	-29.8	38.7	0	0	0	114.2	A42 I43 W99 R137 S138 L142 A143 I173	A42-P140 HydrophobicContact CB-CB 3.89Å; A42-P140 WeakPolarHBondContact CB-O 3.32Å; I43-P140 HydrophobicContact CD1-CB 4.27Å; I43-P140 HydrophobicContact CD1-CG 4.03Å; I43-P140 HydrophobicContact CG1-CB 4.04Å; I43-P140 HydrophobicContact CG1-CG 4.33Å; W99-P140 HydrophobicContact CD2-CG 4.18Å; W99-P140 VanDerWaalsContact CE2-CG 3.5Å; W99-P140 HydrophobicContact CG-CG 4.43Å; W99-P140 HydrophobicContact CZ2-CG 3.84Å; W99-P140 VanDerWaalsContact NE1-CG 3.29Å; R137-P140 WeakPolarHBondContact O-CD 3.45Å; S138-P140 VanDerWaalsContact C-CD 3.46Å; P140-L142 PolarHBondContact O-N 3.43Å; P140-A143 PolarHBondContact O-N 3.34Å; P140-I173 HydrophobicContact CB-CD1 4.25Å; P140-I173 HydrophobicContact CG-CD1 4.32Å; P140-I173 HydrophobicContact CG-CG1 4.4Å
141	R	93.4	Very high	91.6	Very high	51 Å²	51	42 Å²	42	19%	0.192	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.7	178.8	-56.4	179.4	65	-169.7	2.6	112.8	L38 S138 L139 A143 Y149	L38-R141 HydrophobicContact CB-CG 4.47Å; S138-R141 VanDerWaalsContact O-CB 3.31Å; S138-R141 WeakPolarHBondContact O-CB 3.26Å; S138-R141 PolarHBondContact O-N 3.35Å; L139-R141 PolarHBondContact O-N 3.48Å; L139-R141 VanDerWaalsContact O-N 3.13Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-Y149 HydrophobicContact CB-CD1 3.65Å; R141-Y149 HydrophobicContact CB-CE1 3.95Å; R141-Y149 HydrophobicContact CB-CG 4Å; R141-Y149 VanDerWaalsContact NH2-CD2 3.29Å; R141-Y149 WeakPolarHBondContact O-CB 3.43Å
142	L	93.9	Very high	91.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-76.5	-21	174.6	-57	175	0	0	0	112.5	W115 F129 L134 L139 P140 Y149 L150 L154 L165 M166 A169	W115-L142 HydrophobicContact CZ3-CD1 4.42Å; F129-L142 HydrophobicContact CE1-CD1 4.07Å; F129-L142 HydrophobicContact CZ-CD1 3.93Å; F129-L142 HydrophobicContact CZ-CD2 4.5Å; L134-L142 HydrophobicContact CD1-CD2 4.45Å; L139-L142 HydrophobicContact CD2-CD1 3.76Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 PolarHBondContact O-N 2.79Å; P140-L142 PolarHBondContact O-N 3.43Å; L142-Y149 HydrophobicContact CD2-CD1 3.82Å; L142-Y149 HydrophobicContact CD2-CE1 3.79Å; L142-L150 HydrophobicContact CB-CD2 4.33Å; L142-L150 HydrophobicContact CD2-CD2 3.47Å; L142-L150 VanDerWaalsContact CD2-CD2 3.47Å; L142-L150 HydrophobicContact CG-CD2 4.5Å; L142-L154 HydrophobicContact CD2-CD1 3.58Å; L142-L165 HydrophobicContact CD2-CD2 4.45Å; L142-M166 WeakPolarHBondContact O-CA 3.49Å; L142-A169 HydrophobicContact CB-CB 3.85Å
143	A	93.2	Very high	91.4	Very high	11 Å²	11	40.4 Å²	40.4	9%	0.091	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-94.9	0.8	-175.9	0	0	0	0	0	113.8	P140 R141 A169 L170 I173	P140-A143 PolarHBondContact O-N 3.34Å; R141-A143 VanDerWaalsContact C-N 3.32Å; A143-A169 HydrophobicContact CB-CB 4.09Å; A143-L170 HydrophobicContact CB-CB 4.3Å; A143-I173 HydrophobicContact CB-CD1 3.54Å
144	M	90.8	Very high	91.4	Very high	24 Å²	24	35.2 Å²	35.2	12%	0.118	18%	0.182	C	C	.	.			trans	-59.1	136.6	177.3	-63.3	-178.1	74.7	0	0	111.2	A42 N146 M147	A42-M144 HydrophobicContact CB-CG 3.66Å; A42-M144 HydrophobicContact CB-SD 4.16Å; M144-N146 VanDerWaalsContact C-N 3.33Å; M144-N146 WeakPolarHBondContact CB-OD1 3.44Å; M144-N146 PolarHBondContact O-N 3.41Å; M144-M147 PolarHBondContact O-N 2.93Å
145	Q	86.4	Confident	91.3	Very high	94 Å²	94	37.3 Å²	37.3	44%	0.439	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-34.7	-172	-172.4	-174	52.5	0	0	112.6	D45 N49 M147	D45-Q145 PolarHBondContact OD2-N 3.28Å; D45-Q145 VanDerWaalsContact OD2-N 3.08Å; N49-Q145 WeakPolarHBondContact ND2-CB 3.48Å; N49-Q145 PolarHBondContact ND2-OE1 3.44Å; N49-Q145 PolarHBondContact OD1-NE2 3.23Å; N49-Q145 PolarHBondContact OD1-OE1 3.36Å; Q145-M147 PolarHBondContact O-N 2.87Å
146	N	87.4	Confident	91.3	Very high	98 Å²	98	35.5 Å²	35.5	52%	0.524	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.9	175.8	64.7	6.3	0	0	0	113.2	M144 S148	M144-N146 VanDerWaalsContact C-N 3.33Å; M144-N146 WeakPolarHBondContact CB-OD1 3.44Å; M144-N146 PolarHBondContact O-N 3.41Å; N146-S148 PolarHBondContact ND2-OG 3.22Å; N146-S148 PolarHBondContact O-N 2.89Å; N146-S148 PolarHBondContact OD1-N 3.36Å; N146-S148 PolarHBondContact OD1-OG 3.37Å
147	M	89.6	Confident	91.2	Very high	33 Å²	33	43.2 Å²	43.2	16%	0.163	23%	0.231	C	C	.	.			trans	53.3	19.1	-174.9	-57.3	176.7	163.2	0	0	114.2	M144 Q145 Y149 L150 V151 K162 K163 M166	M144-M147 PolarHBondContact O-N 2.93Å; Q145-M147 PolarHBondContact O-N 2.87Å; M147-Y149 VanDerWaalsContact C-N 3.29Å; M147-Y149 PolarHBondContact O-N 3.35Å; M147-L150 HydrophobicContact CB-CB 4.48Å; M147-L150 HydrophobicContact CB-CD1 4.27Å; M147-L150 HydrophobicContact CG-CD1 4.34Å; M147-L150 WeakPolarHBondContact O-CB 3.41Å; M147-L150 PolarHBondContact O-N 3.38Å; M147-V151 WeakPolarHBondContact O-CG2 3.38Å; M147-V151 PolarHBondContact O-N 3.03Å; M147-V151 VanDerWaalsContact O-N 3.16Å; M147-K162 HydrophobicContact CE-CB 4.18Å; M147-K162 HydrophobicContact SD-CB 3.61Å; M147-K162 HydrophobicContact SD-CD 4.28Å; M147-K163 HydrophobicContact CE-CB 4.13Å; M147-K163 HydrophobicContact CE-CD 3.84Å; M147-M166 HydrophobicContact CE-CB 3.9Å; M147-M166 HydrophobicContact CE-CE 4.38Å; M147-M166 HydrophobicContact CE-CG 4.19Å; M147-M166 HydrophobicContact CE-SD 3.43Å; M147-M166 WeakPolarHBondContact CE-SD 3.27Å; M147-M166 HydrophobicContact CG-SD 4.31Å
148	S	90	Very high	91.2	Very high	35 Å²	35	42.4 Å²	42.4	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-40.9	-172.2	60	0	0	0	0	111.5	N146 L150 V151 D152	N146-S148 PolarHBondContact ND2-OG 3.22Å; N146-S148 PolarHBondContact O-N 2.89Å; N146-S148 PolarHBondContact OD1-N 3.36Å; N146-S148 PolarHBondContact OD1-OG 3.37Å; S148-L150 VanDerWaalsContact C-N 3.33Å; S148-L150 PolarHBondContact O-N 3.05Å; S148-V151 PolarHBondContact O-N 3.15Å; S148-D152 VanDerWaalsContact O-CB 3.27Å; S148-D152 WeakPolarHBondContact O-CB 3.11Å; S148-D152 PolarHBondContact O-N 2.98Å
149	Y	91.1	Very high	91.2	Very high	14 Å²	14	46.7 Å²	46.7	6%	0.055	26%	0.26	C	S	.	.	I	π-helix	trans	-61.6	-38.8	176.9	-173.4	-118.3	0	0	0	113.3	L134 R141 L142 M147 V151 V153 L154	L134-Y149 HydrophobicContact CD2-CE1 4.28Å; L134-Y149 WeakPolarHBondContact CD2-OH 3.5Å; R141-Y149 HydrophobicContact CB-CD1 3.65Å; R141-Y149 HydrophobicContact CB-CE1 3.95Å; R141-Y149 HydrophobicContact CB-CG 4Å; R141-Y149 VanDerWaalsContact NH2-CD2 3.29Å; R141-Y149 WeakPolarHBondContact O-CB 3.43Å; L142-Y149 HydrophobicContact CD2-CD1 3.82Å; L142-Y149 HydrophobicContact CD2-CE1 3.79Å; M147-Y149 VanDerWaalsContact C-N 3.29Å; M147-Y149 PolarHBondContact O-N 3.35Å; Y149-V151 VanDerWaalsContact C-N 3.33Å; Y149-V151 PolarHBondContact O-N 3.04Å; Y149-V153 HydrophobicContact CD2-CB 3.69Å; Y149-V153 HydrophobicContact CD2-CG1 4.23Å; Y149-V153 HydrophobicContact CD2-CG2 3.56Å; Y149-V153 HydrophobicContact CE2-CB 3.65Å; Y149-V153 HydrophobicContact CE2-CG1 3.65Å; Y149-V153 HydrophobicContact CE2-CG2 3.79Å; Y149-V153 WeakPolarHBondContact O-CB 2.98Å; Y149-V153 PolarHBondContact O-N 3.38Å; Y149-L154 HydrophobicContact CD1-CD1 4.27Å; Y149-L154 HydrophobicContact CE1-CD1 4.01Å; Y149-L154 HydrophobicContact CE1-CG 4.41Å; Y149-L154 PolarHBondContact O-N 2.83Å; Y149-L154 VanDerWaalsContact O-N 3.16Å
150	L	92.4	Very high	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-67.6	-34.6	178	-63.5	178.2	0	0	0	112.1	L142 M147 S148 L154 G155 I156 K162 L165 M166	L142-L150 HydrophobicContact CB-CD2 4.33Å; L142-L150 HydrophobicContact CD2-CD2 3.47Å; L142-L150 VanDerWaalsContact CD2-CD2 3.47Å; L142-L150 HydrophobicContact CG-CD2 4.5Å; M147-L150 HydrophobicContact CB-CB 4.48Å; M147-L150 HydrophobicContact CB-CD1 4.27Å; M147-L150 HydrophobicContact CG-CD1 4.34Å; M147-L150 WeakPolarHBondContact O-CB 3.41Å; M147-L150 PolarHBondContact O-N 3.38Å; S148-L150 VanDerWaalsContact C-N 3.33Å; S148-L150 PolarHBondContact O-N 3.05Å; L150-L154 HydrophobicContact CD2-CD1 3.93Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-G155 PolarHBondContact O-N 2.89Å; L150-I156 HydrophobicContact CD2-CD1 4.38Å; L150-I156 WeakPolarHBondContact O-CB 3.26Å; L150-I156 PolarHBondContact O-N 3.41Å; L150-K162 HydrophobicContact CB-CG 4.47Å; L150-K162 HydrophobicContact CD1-CB 4.17Å; L150-L165 HydrophobicContact CD2-CD2 3.55Å; L150-L165 HydrophobicContact CD2-CG 4.27Å; L150-M166 HydrophobicContact CD1-CB 4.42Å
151	V	92	Very high	91.1	Very high	54 Å²	54	53.7 Å²	53.7	33%	0.327	30%	0.295	S	S	.	.	I	π-helix	trans	-85	-54.9	-178.5	-174	0	0	0	0	111.4	M147 S148 Y149 G155 K162	M147-V151 WeakPolarHBondContact O-CG2 3.38Å; M147-V151 PolarHBondContact O-N 3.03Å; M147-V151 VanDerWaalsContact O-N 3.16Å; S148-V151 PolarHBondContact O-N 3.15Å; Y149-V151 VanDerWaalsContact C-N 3.33Å; Y149-V151 PolarHBondContact O-N 3.04Å; V151-G155 WeakPolarHBondContact O-CA 3.43Å; V151-G155 PolarHBondContact O-N 3.29Å; V151-G155 VanDerWaalsContact O-N 3.07Å; V151-K162 HydrophobicContact CG2-CD 4.12Å; V151-K162 VanDerWaalsContact CG2-NZ 3.31Å
152	D	89.9	Confident	91.2	Very high	126 Å²	126	52.9 Å²	52.9	67%	0.674	29%	0.293	S	S	*	.	I	π-helix	trans	-83.1	-34.5	-164.1	-57.7	-24.9	0	0	0	112	S148	S148-D152 VanDerWaalsContact O-CB 3.27Å; S148-D152 WeakPolarHBondContact O-CB 3.11Å; S148-D152 PolarHBondContact O-N 2.98Å
153	V	89.7	Confident	91.1	Very high	63 Å²	63	56.6 Å²	56.6	38%	0.382	31%	0.309	S	S	.	.	I	π-helix	trans	-98.1	-45.6	-179.1	-175.6	0	0	0	0	111.3	H132 Y149	H132-V153 PolarHBondContact CE1-O 2.88Å; Y149-V153 HydrophobicContact CD2-CB 3.69Å; Y149-V153 HydrophobicContact CD2-CG1 4.23Å; Y149-V153 HydrophobicContact CD2-CG2 3.56Å; Y149-V153 HydrophobicContact CE2-CB 3.65Å; Y149-V153 HydrophobicContact CE2-CG1 3.65Å; Y149-V153 HydrophobicContact CE2-CG2 3.79Å; Y149-V153 WeakPolarHBondContact O-CB 2.98Å; Y149-V153 PolarHBondContact O-N 3.38Å
154	L	91.1	Very high	91	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.042	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-15	-176.2	-70.3	178.5	0	0	0	113.3	L128 H132 L134 L142 Y149 L150 I156	L128-L154 HydrophobicContact CD1-CD2 4.48Å; L128-L154 HydrophobicContact CD2-CB 3.72Å; L128-L154 HydrophobicContact CD2-CD2 3.72Å; L128-L154 HydrophobicContact CD2-CG 4.22Å; L128-L154 WeakPolarHBondContact CD2-O 2.99Å; L128-L154 HydrophobicContact CG-CD2 3.81Å; H132-L154 HydrophobicContact CB-CD2 4.22Å; L134-L154 HydrophobicContact CD1-CD1 4.04Å; L134-L154 HydrophobicContact CD1-CD2 3.95Å; L142-L154 HydrophobicContact CD2-CD1 3.58Å; Y149-L154 HydrophobicContact CD1-CD1 4.27Å; Y149-L154 HydrophobicContact CE1-CD1 4.01Å; Y149-L154 HydrophobicContact CE1-CG 4.41Å; Y149-L154 PolarHBondContact O-N 2.83Å; Y149-L154 VanDerWaalsContact O-N 3.16Å; L150-L154 HydrophobicContact CD2-CD1 3.93Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L154-I156 HydrophobicContact CB-CD1 4.28Å; L154-I156 HydrophobicContact CB-CG1 4.15Å; L154-I156 PolarHBondContact O-N 2.84Å; L154-I156 VanDerWaalsContact O-N 3.14Å
155	G	90.6	Very high	91.1	Very high	47 Å²	47	58.1 Å²	58.1	49%	0.485	31%	0.313	S	S	.	.			trans	66.4	15.8	177	0	0	0	0	0	114.1	L150 V151 Q157	L150-G155 PolarHBondContact O-N 2.89Å; V151-G155 WeakPolarHBondContact O-CA 3.43Å; V151-G155 PolarHBondContact O-N 3.29Å; V151-G155 VanDerWaalsContact O-N 3.07Å; G155-Q157 PolarHBondContact O-N 3.01Å
156	I	91.8	Very high	91.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.294	C	S	.	.			trans	-72.5	116.6	176.4	-59.5	176.9	0	0	0	106.3	Y125 L128 L150 L154 H161 K162 L165	Y125-I156 HydrophobicContact CD1-CD1 4.25Å; Y125-I156 HydrophobicContact CD1-CG1 3.97Å; Y125-I156 HydrophobicContact CD2-CD1 4.26Å; Y125-I156 HydrophobicContact CE1-CB 4.49Å; Y125-I156 HydrophobicContact CE1-CD1 4.45Å; Y125-I156 HydrophobicContact CE1-CG1 3.88Å; Y125-I156 HydrophobicContact CE1-CG2 4.26Å; Y125-I156 HydrophobicContact CE2-CD1 4.48Å; Y125-I156 HydrophobicContact CE2-CG2 4.23Å; Y125-I156 HydrophobicContact CG-CD1 4.15Å; Y125-I156 HydrophobicContact CG-CG1 4.38Å; L128-I156 HydrophobicContact CD2-CD1 4.46Å; L128-I156 HydrophobicContact CD2-CG1 4.2Å; L150-I156 HydrophobicContact CD2-CD1 4.38Å; L150-I156 WeakPolarHBondContact O-CB 3.26Å; L150-I156 PolarHBondContact O-N 3.41Å; L154-I156 HydrophobicContact CB-CD1 4.28Å; L154-I156 HydrophobicContact CB-CG1 4.15Å; L154-I156 PolarHBondContact O-N 2.84Å; L154-I156 VanDerWaalsContact O-N 3.14Å; I156-H161 HydrophobicContact CG2-CB 4.12Å; I156-K162 HydrophobicContact CG2-CG 3.93Å; I156-K162 WeakPolarHBondContact O-CE 3.44Å; I156-K162 PolarHBondContact O-NZ 2.01Å; I156-L165 HydrophobicContact CD1-CD2 3.93Å
157	Q	90.3	Very high	91.6	Very high	161 Å²	161	51.1 Å²	51.1	75%	0.752	28%	0.278	S	S	*	.			trans	-98	-31.5	-178.9	-64.2	-171.3	13.4	0	0	113.5	G155 K162	G155-Q157 PolarHBondContact O-N 3.01Å; Q157-K162 VanDerWaalsContact C-CE 3.46Å; Q157-K162 WeakPolarHBondContact O-CE 3.08Å; Q157-K162 PolarHBondContact O-NZ 2.91Å
158	N	92.7	Very high	91.7	Very high	60 Å²	60	54.6 Å²	54.6	32%	0.321	29%	0.29	S	S	.	.			trans	-64.2	119.9	-174.4	-175.2	-30.2	0	0	0	111.6	I160 H161 K162	N158-I160 VanDerWaalsContact C-N 3.3Å; N158-I160 PolarHBondContact O-N 3.03Å; N158-I160 WeakPolarHBondContact OD1-CB 3.22Å; N158-I160 PolarHBondContact OD1-N 3.28Å; N158-H161 HydrophobicContact CB-CB 4.18Å; N158-H161 PolarHBondContact O-N 3.23Å; N158-K162 WeakPolarHBondContact O-CG 3.09Å; N158-K162 PolarHBondContact O-N 2.96Å; N158-K162 VanDerWaalsContact O-N 3.1Å
159	P	92	Very high	91.9	Very high	96 Å²	96	52.9 Å²	52.9	62%	0.623	28%	0.278	S	S	*	.	H	α-helix	trans	-62.7	-33.4	-176.3	25.5	-34.6	0	0	0	113.4	K163	P159-K163 WeakPolarHBondContact O-CB 3.44Å; P159-K163 PolarHBondContact O-N 3.23Å
160	I	91.8	Very high	91.9	Very high	120 Å²	120	52.5 Å²	52.5	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-65.7	-44.2	179.2	-58.8	173.6	0	0	0	109.6	N158 K163 K164	N158-I160 VanDerWaalsContact C-N 3.3Å; N158-I160 PolarHBondContact O-N 3.03Å; N158-I160 WeakPolarHBondContact OD1-CB 3.22Å; N158-I160 PolarHBondContact OD1-N 3.28Å; I160-K163 PolarHBondContact O-N 2.96Å; I160-K164 WeakPolarHBondContact O-CB 3.48Å; I160-K164 PolarHBondContact O-N 2.7Å
161	H	94.2	Very high	91.8	Very high	31 Å²	31	54.1 Å²	54.1	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-69.1	-41.2	-177.5	-62.7	-177.5	0	0	0	111.2	L122 Q124 Y125 I156 N158 K164 L165	L122-H161 HydrophobicContact CD1-CB 4.18Å; L122-H161 HydrophobicContact CD2-CB 4.43Å; Q124-H161 PolarHBondContact NE2-CE1 2.89Å; Q124-H161 VanDerWaalsContact NE2-CE1 3.35Å; Q124-H161 PolarHBondContact NE2-ND1 2.97Å; Y125-H161 HydrophobicContact CE2-CB 3.84Å; Y125-H161 AromaticContact CE2-CG 3.89Å; Y125-H161 AromaticContact CE2-ND1 3.33Å; Y125-H161 VanDerWaalsContact CE2-ND1 3.33Å; Y125-H161 WeakPolarHBondContact CE2-ND1 3.41Å; Y125-H161 AromaticContact CZ-ND1 3.48Å; Y125-H161 PolarHBondContact OH-ND1 3.47Å; I156-H161 HydrophobicContact CG2-CB 4.12Å; N158-H161 HydrophobicContact CB-CB 4.18Å; N158-H161 PolarHBondContact O-N 3.23Å; H161-K164 PolarHBondContact O-N 2.82Å; H161-L165 WeakPolarHBondContact O-CB 3.3Å; H161-L165 PolarHBondContact O-N 3Å
162	K	93.6	Very high	91.8	Very high	34 Å²	34	51.8 Å²	51.8	15%	0.148	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-50.9	173.4	-64.9	170	-176.2	178	0	111.3	M147 L150 V151 I156 Q157 N158 L165 M166	M147-K162 HydrophobicContact CE-CB 4.18Å; M147-K162 HydrophobicContact SD-CB 3.61Å; M147-K162 HydrophobicContact SD-CD 4.28Å; L150-K162 HydrophobicContact CB-CG 4.47Å; L150-K162 HydrophobicContact CD1-CB 4.17Å; V151-K162 HydrophobicContact CG2-CD 4.12Å; V151-K162 VanDerWaalsContact CG2-NZ 3.31Å; I156-K162 HydrophobicContact CG2-CG 3.93Å; I156-K162 WeakPolarHBondContact O-CE 3.44Å; I156-K162 PolarHBondContact O-NZ 2.01Å; Q157-K162 VanDerWaalsContact C-CE 3.46Å; Q157-K162 WeakPolarHBondContact O-CE 3.08Å; Q157-K162 PolarHBondContact O-NZ 2.91Å; N158-K162 WeakPolarHBondContact O-CG 3.09Å; N158-K162 PolarHBondContact O-N 2.96Å; N158-K162 VanDerWaalsContact O-N 3.1Å; K162-L165 PolarHBondContact O-N 3.3Å; K162-M166 VanDerWaalsContact O-CB 3.25Å; K162-M166 WeakPolarHBondContact O-CB 3.4Å; K162-M166 PolarHBondContact O-N 2.75Å
163	K	92.2	Very high	91.8	Very high	78 Å²	78	46.1 Å²	46.1	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-44.5	-179	-170.1	70.1	-176.5	-178.2	0	111.8	E70 M147 P159 I160 L165 M166 L167	E70-K163 IonicContact OE1-NZ 3.34Å; E70-K163 IonicContact OE2-NZ 3.95Å; E70-K163 PolarHBondContact OE2-NZ 3.18Å; M147-K163 HydrophobicContact CE-CB 4.13Å; M147-K163 HydrophobicContact CE-CD 3.84Å; P159-K163 WeakPolarHBondContact O-CB 3.44Å; P159-K163 PolarHBondContact O-N 3.23Å; I160-K163 PolarHBondContact O-N 2.96Å; K163-L165 PolarHBondContact O-N 3.38Å; K163-M166 HydrophobicContact CD-CE 4.01Å; K163-M166 PolarHBondContact O-N 3.42Å; K163-L167 HydrophobicContact CD-CD1 4.44Å; K163-L167 HydrophobicContact CD-CG 4.44Å; K163-L167 HydrophobicContact CG-CD1 4.05Å; K163-L167 HydrophobicContact CG-CG 4.41Å; K163-L167 WeakPolarHBondContact O-CB 3.21Å; K163-L167 VanDerWaalsContact O-CG 3.3Å; K163-L167 WeakPolarHBondContact O-CG 3.35Å; K163-L167 PolarHBondContact O-N 3Å
164	K	91.9	Very high	91.7	Very high	67 Å²	67	43.6 Å²	43.6	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-46.6	177.5	-167.9	-179.8	-171.4	-169.1	0	111	V120 D121 I160 H161 R168	V120-K164 HydrophobicContact CG1-CD 4.47Å; V120-K164 HydrophobicContact CG1-CG 4.31Å; V120-K164 WeakPolarHBondContact O-CD 3.44Å; V120-K164 WeakPolarHBondContact O-CE 3.48Å; V120-K164 PolarHBondContact O-NZ 3.33Å; D121-K164 IonicContact OD2-NZ 3.39Å; D121-K164 PolarHBondContact OD2-NZ 3.06Å; D121-K164 VanDerWaalsContact OD2-NZ 3.1Å; I160-K164 WeakPolarHBondContact O-CB 3.48Å; I160-K164 PolarHBondContact O-N 2.7Å; H161-K164 PolarHBondContact O-N 2.82Å; K164-R168 WeakPolarHBondContact O-CB 3.3Å; K164-R168 VanDerWaalsContact O-CG 3.24Å; K164-R168 WeakPolarHBondContact O-CG 3.49Å; K164-R168 PolarHBondContact O-N 2.96Å
165	L	93.3	Very high	91.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-44.6	-179	-174.8	59.2	0	0	0	111.9	W115 L116 V120 L122 F129 L142 L150 I156 H161 K162 K163 R168 A169	W115-L165 HydrophobicContact CH2-CD1 3.57Å; W115-L165 HydrophobicContact CZ3-CD1 3.77Å; L116-L165 HydrophobicContact CD1-CD1 3.82Å; V120-L165 HydrophobicContact CG1-CD1 4.19Å; L122-L165 HydrophobicContact CD1-CB 4.49Å; F129-L165 HydrophobicContact CE2-CD2 4.24Å; F129-L165 HydrophobicContact CZ-CD1 4.11Å; F129-L165 HydrophobicContact CZ-CD2 4.02Å; L142-L165 HydrophobicContact CD2-CD2 4.45Å; L150-L165 HydrophobicContact CD2-CD2 3.55Å; L150-L165 HydrophobicContact CD2-CG 4.27Å; I156-L165 HydrophobicContact CD1-CD2 3.93Å; H161-L165 WeakPolarHBondContact O-CB 3.3Å; H161-L165 PolarHBondContact O-N 3Å; K162-L165 PolarHBondContact O-N 3.3Å; K163-L165 PolarHBondContact O-N 3.38Å; L165-R168 PolarHBondContact O-N 3.26Å; L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.32Å
166	M	93.1	Very high	91.4	Very high	9 Å²	9	43 Å²	43	4%	0.044	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-49.2	175.7	-174.4	-149.3	77.2	0	0	111.5	L142 M147 L150 K162 K163 R168 A169 L170	L142-M166 WeakPolarHBondContact O-CA 3.49Å; M147-M166 HydrophobicContact CE-CB 3.9Å; M147-M166 HydrophobicContact CE-CE 4.38Å; M147-M166 HydrophobicContact CE-CG 4.19Å; M147-M166 HydrophobicContact CE-SD 3.43Å; M147-M166 WeakPolarHBondContact CE-SD 3.27Å; M147-M166 HydrophobicContact CG-SD 4.31Å; L150-M166 HydrophobicContact CD1-CB 4.42Å; K162-M166 VanDerWaalsContact O-CB 3.25Å; K162-M166 WeakPolarHBondContact O-CB 3.4Å; K162-M166 PolarHBondContact O-N 2.75Å; K163-M166 HydrophobicContact CD-CE 4.01Å; K163-M166 PolarHBondContact O-N 3.42Å; M166-R168 VanDerWaalsContact C-N 3.35Å; M166-R168 PolarHBondContact O-N 2.86Å; M166-A169 PolarHBondContact O-N 3.43Å; M166-L170 VanDerWaalsContact O-CB 3.29Å; M166-L170 WeakPolarHBondContact O-CB 3.45Å; M166-L170 PolarHBondContact O-N 2.91Å
167	L	91.1	Very high	91	Very high	37 Å²	37	44.7 Å²	44.7	19%	0.194	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-38.4	179.2	-72.7	176	0	0	0	112.6	E70 F71 K163 D171	E70-L167 HydrophobicContact CB-CD2 3.96Å; E70-L167 VanDerWaalsContact O-CD2 3.22Å; E70-L167 WeakPolarHBondContact O-CD2 3.39Å; F71-L167 HydrophobicContact CE1-CD2 4.49Å; K163-L167 HydrophobicContact CD-CD1 4.44Å; K163-L167 HydrophobicContact CD-CG 4.44Å; K163-L167 HydrophobicContact CG-CD1 4.05Å; K163-L167 HydrophobicContact CG-CG 4.41Å; K163-L167 WeakPolarHBondContact O-CB 3.21Å; K163-L167 VanDerWaalsContact O-CG 3.3Å; K163-L167 WeakPolarHBondContact O-CG 3.35Å; K163-L167 PolarHBondContact O-N 3Å; L167-D171 WeakPolarHBondContact O-CB 3.44Å; L167-D171 PolarHBondContact O-N 3.16Å
168	R	91.4	Very high	90.1	Very high	105 Å²	105	40.1 Å²	40.1	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-72.4	-36.3	177.5	-70.1	-66.3	-163.5	-166.6	1.5	112.5	W115 V120 K164 L165 M166 D171 I172	W115-R168 HydrophobicContact CH2-CB 4.42Å; W115-R168 HydrophobicContact CZ2-CB 3.63Å; V120-R168 HydrophobicContact CG1-CG 4.27Å; V120-R168 HydrophobicContact CG2-CB 3.97Å; V120-R168 HydrophobicContact CG2-CG 4.17Å; K164-R168 WeakPolarHBondContact O-CB 3.3Å; K164-R168 VanDerWaalsContact O-CG 3.24Å; K164-R168 WeakPolarHBondContact O-CG 3.49Å; K164-R168 PolarHBondContact O-N 2.96Å; L165-R168 PolarHBondContact O-N 3.26Å; M166-R168 VanDerWaalsContact C-N 3.35Å; M166-R168 PolarHBondContact O-N 2.86Å; R168-D171 PolarHBondContact O-N 3.49Å; R168-I172 PolarHBondContact O-N 2.79Å
169	A	92.9	Very high	88.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-45.9	173.9	0	0	0	0	0	110.6	W115 L142 A143 L165 M166 D171 I172 I173	W115-A169 HydrophobicContact CH2-CB 4.29Å; L142-A169 HydrophobicContact CB-CB 3.85Å; A143-A169 HydrophobicContact CB-CB 4.09Å; L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.32Å; M166-A169 PolarHBondContact O-N 3.43Å; A169-D171 VanDerWaalsContact C-N 3.31Å; A169-D171 PolarHBondContact O-N 3.42Å; A169-I172 PolarHBondContact O-N 2.9Å; A169-I172 VanDerWaalsContact O-N 3.16Å; A169-I173 VanDerWaalsContact O-CD1 3.28Å; A169-I173 WeakPolarHBondContact O-CD1 3.34Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.45Å; A169-I173 PolarHBondContact O-N 2.7Å
170	L	92	Very high	86.5	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-55.9	-43.9	174.3	-179.6	65.3	0	0	0	112.2	L46 F66 F71 A143 M166 I172 I173 L174	L46-L170 HydrophobicContact CD1-CD1 3.38Å; L46-L170 HydrophobicContact CD2-CD1 3.67Å; L46-L170 HydrophobicContact CG-CD1 4.18Å; F66-L170 HydrophobicContact CE1-CD2 4.02Å; F66-L170 HydrophobicContact CZ-CD2 4.41Å; F71-L170 HydrophobicContact CE2-CD2 3.63Å; F71-L170 HydrophobicContact CE2-CG 4.17Å; F71-L170 HydrophobicContact CZ-CB 4.35Å; F71-L170 HydrophobicContact CZ-CD2 3.76Å; F71-L170 HydrophobicContact CZ-CG 4Å; A143-L170 HydrophobicContact CB-CB 4.3Å; M166-L170 VanDerWaalsContact O-CB 3.29Å; M166-L170 WeakPolarHBondContact O-CB 3.45Å; M166-L170 PolarHBondContact O-N 2.91Å; L170-I172 VanDerWaalsContact C-N 3.34Å; L170-I172 PolarHBondContact O-N 3.47Å; L170-I173 PolarHBondContact O-N 2.88Å; L170-L174 HydrophobicContact CD1-CD1 3.7Å; L170-L174 HydrophobicContact CD1-CG 4.14Å; L170-L174 HydrophobicContact CG-CD1 4.02Å; L170-L174 WeakPolarHBondContact O-CB 3.34Å; L170-L174 WeakPolarHBondContact O-CG 3.21Å; L170-L174 PolarHBondContact O-N 2.88Å; L170-L174 VanDerWaalsContact O-N 3.08Å
171	D	90.2	Very high	84.1	Confident	35 Å²	35	49.6 Å²	49.6	19%	0.187	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-43.1	177.2	-161.1	27.5	0	0	0	111.8	F71 K79 L167 R168 A169 F175	F71-D171 HydrophobicContact CE1-CB 4.17Å; F71-D171 HydrophobicContact CZ-CB 4.32Å; K79-D171 IonicContact NZ-OD1 2.65Å; K79-D171 PolarHBondContact NZ-OD1 3.08Å; K79-D171 IonicContact NZ-OD2 3.86Å; L167-D171 WeakPolarHBondContact O-CB 3.44Å; L167-D171 PolarHBondContact O-N 3.16Å; R168-D171 PolarHBondContact O-N 3.49Å; A169-D171 VanDerWaalsContact C-N 3.31Å; A169-D171 PolarHBondContact O-N 3.42Å; D171-F175 WeakPolarHBondContact O-CB 3.39Å; D171-F175 VanDerWaalsContact O-CD2 3.32Å; D171-F175 WeakPolarHBondContact O-CD2 3.33Å; D171-F175 PolarHBondContact O-N 3.04Å; D171-F175 WeakPolarHBondContact OD1-CD2 3.36Å
172	I	91.2	Very high	81.8	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-45.1	176.8	-71.6	164.4	0	0	0	111.5	W99 N102 A104 W107 W115 L139 R168 A169 L170 L174 G176	W99-I172 HydrophobicContact CZ3-CG2 4.22Å; N102-I172 PolarHBondContact ND2-O 2.88Å; A104-I172 HydrophobicContact CB-CG2 3.31Å; W107-I172 HydrophobicContact CH2-CD1 3.86Å; W107-I172 HydrophobicContact CH2-CG1 4.48Å; W107-I172 HydrophobicContact CZ3-CD1 3.69Å; W115-I172 HydrophobicContact CD2-CD1 3.87Å; W115-I172 HydrophobicContact CG-CD1 4.09Å; W115-I172 HydrophobicContact CH2-CD1 4.36Å; W115-I172 HydrophobicContact CZ2-CD1 3.47Å; W115-I172 VanDerWaalsContact CZ2-CD1 3.47Å; L139-I172 HydrophobicContact CD1-CG2 4.39Å; R168-I172 PolarHBondContact O-N 2.79Å; A169-I172 PolarHBondContact O-N 2.9Å; A169-I172 VanDerWaalsContact O-N 3.16Å; L170-I172 VanDerWaalsContact C-N 3.34Å; L170-I172 PolarHBondContact O-N 3.47Å; I172-L174 VanDerWaalsContact C-N 3.32Å; I172-L174 PolarHBondContact O-N 3.09Å; I172-G176 WeakPolarHBondContact O-CA 3.26Å; I172-G176 PolarHBondContact O-N 3.44Å
173	I	91.3	Very high	79.5	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-44.5	-174.7	-65.5	154	0	0	0	110.3	L46 W99 N102 P140 A143 A169 L170	L46-I173 HydrophobicContact CD2-CG2 4.34Å; W99-I173 HydrophobicContact CD2-CG2 4.27Å; W99-I173 HydrophobicContact CE3-CB 4.08Å; W99-I173 HydrophobicContact CE3-CG1 4.03Å; W99-I173 HydrophobicContact CE3-CG2 3.95Å; W99-I173 HydrophobicContact CH2-CG1 4.27Å; W99-I173 HydrophobicContact CZ3-CB 4.28Å; W99-I173 HydrophobicContact CZ3-CG1 3.89Å; N102-I173 PolarHBondContact ND2-O 3.33Å; P140-I173 HydrophobicContact CB-CD1 4.25Å; P140-I173 HydrophobicContact CG-CD1 4.32Å; P140-I173 HydrophobicContact CG-CG1 4.4Å; A143-I173 HydrophobicContact CB-CD1 3.54Å; A169-I173 VanDerWaalsContact O-CD1 3.28Å; A169-I173 WeakPolarHBondContact O-CD1 3.34Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.45Å; A169-I173 PolarHBondContact O-N 2.7Å; L170-I173 PolarHBondContact O-N 2.88Å
174	L	87.7	Confident	77.1	Confident	10 Å²	10	60 Å²	60	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-80.4	-40.8	-176.7	-69.2	179.9	0	0	0	113.7	L46 L67 L83 L95 L170 I172	L46-L174 HydrophobicContact CD2-CD2 4.14Å; L46-L174 HydrophobicContact CD2-CG 4.44Å; L67-L174 HydrophobicContact CD2-CD1 4.42Å; L83-L174 HydrophobicContact CD1-CB 4.3Å; L83-L174 HydrophobicContact CD1-CD1 4.31Å; L83-L174 HydrophobicContact CD1-CD2 4.3Å; L83-L174 HydrophobicContact CD2-CB 4.06Å; L83-L174 HydrophobicContact CD2-CD2 4.06Å; L83-L174 VanDerWaalsContact CD2-O 3.26Å; L83-L174 WeakPolarHBondContact CD2-O 3.48Å; L95-L174 HydrophobicContact CD1-CD2 3.81Å; L170-L174 HydrophobicContact CD1-CD1 3.7Å; L170-L174 HydrophobicContact CD1-CG 4.14Å; L170-L174 HydrophobicContact CG-CD1 4.02Å; L170-L174 WeakPolarHBondContact O-CB 3.34Å; L170-L174 WeakPolarHBondContact O-CG 3.21Å; L170-L174 PolarHBondContact O-N 2.88Å; L170-L174 VanDerWaalsContact O-N 3.08Å; I172-L174 VanDerWaalsContact C-N 3.32Å; I172-L174 PolarHBondContact O-N 3.09Å
175	F	87.5	Confident	74.8	Confident	30 Å²	30	62.8 Å²	62.8	13%	0.132	34%	0.336	C	S	.	.	H	α-helix	trans	-115.4	-7.5	-169.1	-51	-70.3	0	0	0	114.4	L67 K79 M82 L83 D171	L67-F175 HydrophobicContact CD1-CZ 3.98Å; L67-F175 HydrophobicContact CD2-CE2 4.3Å; L67-F175 HydrophobicContact CD2-CZ 3.97Å; K79-F175 HydrophobicContact CB-CD1 4.21Å; K79-F175 HydrophobicContact CB-CE1 3.42Å; K79-F175 VanDerWaalsContact CB-CE1 3.42Å; K79-F175 HydrophobicContact CB-CE2 4.29Å; K79-F175 HydrophobicContact CB-CZ 3.48Å; K79-F175 VanDerWaalsContact CB-CZ 3.48Å; K79-F175 HydrophobicContact CD-CD2 4.08Å; K79-F175 HydrophobicContact CD-CE1 4.21Å; K79-F175 HydrophobicContact CD-CE2 3.66Å; K79-F175 HydrophobicContact CD-CZ 3.75Å; K79-F175 HydrophobicContact CG-CD1 4.12Å; K79-F175 HydrophobicContact CG-CD2 4.48Å; K79-F175 HydrophobicContact CG-CE1 3.78Å; K79-F175 HydrophobicContact CG-CE2 4.17Å; K79-F175 HydrophobicContact CG-CG 4.47Å; K79-F175 HydrophobicContact CG-CZ 3.82Å; K79-F175 WeakPolarHBondContact O-CE1 3.48Å; M82-F175 HydrophobicContact CE-CB 4.4Å; M82-F175 WeakPolarHBondContact CE-O 3.41Å; M82-F175 HydrophobicContact SD-CD1 4.18Å; L83-F175 HydrophobicContact CD1-CE1 3.52Å; L83-F175 HydrophobicContact CD1-CZ 3.66Å; L83-F175 HydrophobicContact CD2-CE1 4.29Å; L83-F175 HydrophobicContact CG-CD1 4.26Å; L83-F175 HydrophobicContact CG-CE1 3.6Å; L83-F175 HydrophobicContact CG-CZ 4.25Å; D171-F175 WeakPolarHBondContact O-CB 3.39Å; D171-F175 VanDerWaalsContact O-CD2 3.32Å; D171-F175 WeakPolarHBondContact O-CD2 3.33Å; D171-F175 PolarHBondContact O-N 3.04Å; D171-F175 WeakPolarHBondContact OD1-CD2 3.36Å
176	G	86.9	Confident	72.6	Confident	13 Å²	13	65.9 Å²	65.9	13%	0.134	37%	0.367	C	S	.	.			trans	86.2	173	-174.6	0	0	0	0	0	113.5	N102 I172	N102-G176 WeakPolarHBondContact ND2-CA 3.06Å; I172-G176 WeakPolarHBondContact O-CA 3.26Å; I172-G176 PolarHBondContact O-N 3.44Å
177	P	83.6	Confident	70.6	Confident	37 Å²	37	70.8 Å²	70.8	24%	0.24	39%	0.394	C	S	.	.	S	Bend	trans	-67.2	142.8	-179.2	30.1	-36	0	0	0	110.9	N102 P103 W107 R179	N102-P177 WeakPolarHBondContact OD1-CD 3.38Å; P103-P177 HydrophobicContact CB-CG 4.5Å; P103-P177 HydrophobicContact CG-CG 3.75Å; W107-P177 HydrophobicContact CH2-CB 3.8Å; W107-P177 HydrophobicContact CZ2-CB 3.3Å; W107-P177 HydrophobicContact CZ2-CG 4.13Å; P177-R179 PolarHBondContact O-N 3.15Å
178	P	71.4	Confident	69.1	Low	64 Å²	64	71.7 Å²	71.7	42%	0.416	40%	0.4	S	S	.	.			trans	-59.9	128.1	177.8	25.3	-32.6	0	0	0	108.4	L119 Q180	L119-P178 HydrophobicContact CD1-CG 3.48Å; L119-P178 VanDerWaalsContact CD1-CG 3.48Å; L119-P178 HydrophobicContact CD2-CG 3.99Å; L119-P178 HydrophobicContact CG-CG 4.33Å; P178-Q180 VanDerWaalsContact C-N 3.3Å; P178-Q180 PolarHBondContact O-N 3.35Å
179	R	59.8	Low	67.7	Low	244 Å²	244	71.3 Å²	71.3	92%	0.921	41%	0.411	S	S	*	.			trans	-60.5	98.4	171.5	-67.8	-177.9	-178.7	157.6	1.9	106.8	P177	P177-R179 PolarHBondContact O-N 3.15Å
180	Q	49.8	Very low	66.3	Low	111 Å²	111	77.7 Å²	77.7	52%	0.519	45%	0.445	S	S	.	.			trans	-56.6	127.1	169	-67.5	-178	5.8	0	0	105.7	P178 V182	P178-Q180 VanDerWaalsContact C-N 3.3Å; P178-Q180 PolarHBondContact O-N 3.35Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 3.36Å
181	P	42	Very low	65.1	Low	120 Å²	120	81.2 Å²	81.2	78%	0.779	47%	0.466	S	S	*	.			trans	-57.7	112.2	165.1	25.4	-29.8	0	0	0	104.3	L183	P181-L183 PolarHBondContact O-N 3.48Å
182	V	45	Very low	63.9	Low	129 Å²	129	83.4 Å²	83.4	78%	0.782	48%	0.481	S	S	*	.			trans	-62.5	90.6	175.3	-177.6	0	0	0	0	105	Q180 V184	Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 3.36Å; V182-V184 PolarHBondContact O-N 3.43Å
183	L	44.4	Very low	62.9	Low	149 Å²	149	88.4 Å²	88.4	78%	0.78	51%	0.507	S	S	*	.			trans	-65.9	98.7	169.9	-168.9	81.1	0	0	0	103.6	P181 S185	P181-L183 PolarHBondContact O-N 3.48Å; L183-S185 PolarHBondContact O-N 3.44Å
184	V	43.4	Very low	62.2	Low	85 Å²	85	90.6 Å²	90.6	52%	0.515	52%	0.523	S	S	.	.			trans	-45.9	98.8	-173	-162	0	0	0	0	108.8	V182 G186 V188	V182-V184 PolarHBondContact O-N 3.43Å; V184-G186 PolarHBondContact O-N 3.41Å; V184-V188 HydrophobicContact CB-CG2 4.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.46Å
185	S	42.7	Very low	61.7	Low	125 Å²	125	94.7 Å²	94.7	87%	0.874	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	113.1	169.7	-173	0	0	0	0	107	L183	L183-S185 PolarHBondContact O-N 3.44Å
186	G	47.6	Very low	61.3	Low	64 Å²	64	94.9 Å²	94.9	66%	0.66	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.1	-33.9	165.3	0	0	0	0	0	118.2	V184	V184-G186 PolarHBondContact O-N 3.41Å
187	N	51.7	Low	61.1	Low	113 Å²	113	99.5 Å²	99.5	60%	0.604	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.7	14.2	-168	-68.7	-29	0	0	0	115.8	L190	N187-L190 PolarHBondContact O-N 3.42Å
188	V	58.4	Low	61.1	Low	55 Å²	55	103.1 Å²	103.1	33%	0.333	59%	0.593	S	S	.	*	H	α-helix	trans	-53.8	-38.8	-176.8	-168.5	0	0	0	0	115.1	V184 L190 V191 T192	V184-V188 HydrophobicContact CB-CG2 4.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.46Å; V188-L190 PolarHBondContact O-N 3.37Å; V188-V191 PolarHBondContact O-N 3.23Å; V188-T192 HydrophobicContact CG1-CG2 3.9Å; V188-T192 PolarHBondContact O-N 2.98Å; V188-T192 VanDerWaalsContact O-N 3.13Å; V188-T192 PolarHBondContact O-OG1 3.36Å
189	P	62.4	Low	61.8	Low	97 Å²	97	103.5 Å²	103.5	63%	0.63	60%	0.596	S	S	*	*	H	α-helix	trans	-68.4	-23.8	-175.7	26.4	-33.7	0	0	0	112.9	T192 L193	P189-T192 PolarHBondContact O-OG1 3.38Å; P189-L193 WeakPolarHBondContact O-CB 3.45Å; P189-L193 PolarHBondContact O-N 2.93Å
190	L	63.9	Low	63	Low	134 Å²	134	96.2 Å²	96.2	70%	0.702	58%	0.579	S	S	*	*	H	α-helix	trans	-84.1	-38.5	-178.1	-137	160.2	0	0	0	111.5	N187 V188 S194	N187-L190 PolarHBondContact O-N 3.42Å; V188-L190 PolarHBondContact O-N 3.37Å; L190-S194 WeakPolarHBondContact O-CB 3.21Å; L190-S194 PolarHBondContact O-N 3.38Å
191	V	66.4	Low	64.6	Low	79 Å²	79	93.9 Å²	93.9	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-71.5	-42.4	178.3	-179.5	0	0	0	0	111.1	V188 L193 S194 I195	V188-V191 PolarHBondContact O-N 3.23Å; V191-L193 VanDerWaalsContact C-N 3.35Å; V191-L193 PolarHBondContact O-N 2.66Å; V191-S194 WeakPolarHBondContact CA-OG 3.05Å; V191-S194 PolarHBondContact O-N 3.43Å; V191-S194 PolarHBondContact O-OG 3.37Å; V191-I195 HydrophobicContact CG1-CD1 3.95Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.03Å
192	T	64.7	Low	66.7	Low	82 Å²	82	94.9 Å²	94.9	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-65.9	-37.4	176.4	53	0	0	0	0	112.2	V188 P189 I195 G196	V188-T192 HydrophobicContact CG1-CG2 3.9Å; V188-T192 PolarHBondContact O-N 2.98Å; V188-T192 VanDerWaalsContact O-N 3.13Å; V188-T192 PolarHBondContact O-OG1 3.36Å; P189-T192 PolarHBondContact O-OG1 3.38Å; T192-I195 PolarHBondContact O-N 3.39Å; T192-G196 PolarHBondContact O-N 3.43Å
193	L	70.9	Confident	68.7	Low	108 Å²	108	93.5 Å²	93.5	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-68.5	-37	174.4	-153.3	168.3	0	0	0	110.9	P189 V191 G196 L197	P189-L193 WeakPolarHBondContact O-CB 3.45Å; P189-L193 PolarHBondContact O-N 2.93Å; V191-L193 VanDerWaalsContact C-N 3.35Å; V191-L193 PolarHBondContact O-N 2.66Å; L193-G196 PolarHBondContact O-N 3.44Å; L193-L197 HydrophobicContact CD2-CD1 3.37Å; L193-L197 HydrophobicContact CD2-CG 3.79Å; L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 WeakPolarHBondContact O-CG 3.04Å; L193-L197 PolarHBondContact O-N 3.45Å
194	S	75.5	Confident	70.4	Confident	53 Å²	53	89.7 Å²	89.7	37%	0.371	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-39.6	174.5	78	0	0	0	0	113	L190 V191 L198	L190-S194 WeakPolarHBondContact O-CB 3.21Å; L190-S194 PolarHBondContact O-N 3.38Å; V191-S194 WeakPolarHBondContact CA-OG 3.05Å; V191-S194 PolarHBondContact O-N 3.43Å; V191-S194 PolarHBondContact O-OG 3.37Å; S194-L198 WeakPolarHBondContact O-CB 3.49Å; S194-L198 PolarHBondContact O-N 3.13Å
195	I	78.5	Confident	72.4	Confident	96 Å²	96	90.9 Å²	90.9	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-71.2	-41.2	176.1	-66.4	164	0	0	0	110.1	V191 T192 L198 C199	V191-I195 HydrophobicContact CG1-CD1 3.95Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.03Å; T192-I195 PolarHBondContact O-N 3.39Å; I195-L198 WeakPolarHBondContact O-CB 3.43Å; I195-L198 PolarHBondContact O-N 3.38Å; I195-C199 PolarHBondContact O-N 3.15Å; I195-C199 PolarHBondContact O-SG 3.49Å
196	G	79.2	Confident	74.1	Confident	34 Å²	34	86.7 Å²	86.7	35%	0.351	51%	0.513	S	S	.	.	H	α-helix	trans	-59.7	-46	174	0	0	0	0	0	112.5	T192 L193 C199 V200	T192-G196 PolarHBondContact O-N 3.43Å; L193-G196 PolarHBondContact O-N 3.44Å; G196-C199 PolarHBondContact O-N 3.19Å; G196-V200 VanDerWaalsContact O-CG2 3.31Å; G196-V200 WeakPolarHBondContact O-CG2 3.2Å; G196-V200 PolarHBondContact O-N 3.47Å
197	L	81.9	Confident	75.7	Confident	110 Å²	110	90.2 Å²	90.2	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-64.7	-37.7	174.2	-78.3	170.1	0	0	0	112.1	L193 S201	L193-L197 HydrophobicContact CD2-CD1 3.37Å; L193-L197 HydrophobicContact CD2-CG 3.79Å; L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 WeakPolarHBondContact O-CG 3.04Å; L193-L197 PolarHBondContact O-N 3.45Å; L197-S201 WeakPolarHBondContact O-CB 3.31Å; L197-S201 PolarHBondContact O-N 3.34Å; L197-S201 PolarHBondContact O-OG 3.23Å
198	L	83.8	Confident	77	Confident	113 Å²	113	92 Å²	92	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-48	173.4	-108	165.4	0	0	0	111	S194 I195 S201 F202	S194-L198 WeakPolarHBondContact O-CB 3.49Å; S194-L198 PolarHBondContact O-N 3.13Å; I195-L198 WeakPolarHBondContact O-CB 3.43Å; I195-L198 PolarHBondContact O-N 3.38Å; L198-S201 WeakPolarHBondContact CA-OG 3.37Å; L198-S201 PolarHBondContact O-N 3.29Å; L198-S201 PolarHBondContact O-OG 3.26Å; L198-F202 VanDerWaalsContact O-CB 3.31Å; L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 PolarHBondContact O-N 3.07Å
199	C	85.1	Confident	77.8	Confident	73 Å²	73	94.5 Å²	94.5	49%	0.493	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-45.7	177.2	-69.6	0	0	0	0	112	I195 G196 F202 V203	I195-C199 PolarHBondContact O-N 3.15Å; I195-C199 PolarHBondContact O-SG 3.49Å; G196-C199 PolarHBondContact O-N 3.19Å; C199-F202 PolarHBondContact O-N 3.07Å; C199-V203 VanDerWaalsContact O-CG2 3.31Å; C199-V203 WeakPolarHBondContact O-CG2 3.38Å; C199-V203 PolarHBondContact O-N 3.05Å
200	V	85.7	Confident	78.2	Confident	91 Å²	91	98.1 Å²	98.1	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-44.4	176.6	173.8	0	0	0	0	110.4	G196 F202 V203 S204	G196-V200 VanDerWaalsContact O-CG2 3.31Å; G196-V200 WeakPolarHBondContact O-CG2 3.2Å; G196-V200 PolarHBondContact O-N 3.47Å; V200-F202 VanDerWaalsContact C-N 3.28Å; V200-F202 PolarHBondContact O-N 3.47Å; V200-V203 PolarHBondContact O-N 3.46Å; V200-S204 VanDerWaalsContact O-CB 3.31Å; V200-S204 WeakPolarHBondContact O-CB 3.48Å; V200-S204 PolarHBondContact O-N 3.49Å; V200-S204 PolarHBondContact O-OG 3.13Å
201	S	83.3	Confident	78.5	Confident	62 Å²	62	98 Å²	98	43%	0.434	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-35.3	175.9	76.3	0	0	0	0	112.1	L197 L198 F205	L197-S201 WeakPolarHBondContact O-CB 3.31Å; L197-S201 PolarHBondContact O-N 3.34Å; L197-S201 PolarHBondContact O-OG 3.23Å; L198-S201 WeakPolarHBondContact CA-OG 3.37Å; L198-S201 PolarHBondContact O-N 3.29Å; L198-S201 PolarHBondContact O-OG 3.26Å; S201-F205 WeakPolarHBondContact O-CA 3.18Å; S201-F205 WeakPolarHBondContact O-CB 3.31Å; S201-F205 PolarHBondContact O-N 3.44Å
202	F	86.2	Confident	78.4	Confident	141 Å²	141	96.7 Å²	96.7	62%	0.618	51%	0.507	S	S	*	.	H	α-helix	trans	-72.4	-39	177.9	-156.2	-90.5	0	0	0	111.4	L198 C199 V200 S206	L198-F202 VanDerWaalsContact O-CB 3.31Å; L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 PolarHBondContact O-N 3.07Å; C199-F202 PolarHBondContact O-N 3.07Å; V200-F202 VanDerWaalsContact C-N 3.28Å; V200-F202 PolarHBondContact O-N 3.47Å; F202-S206 WeakPolarHBondContact O-CB 3.31Å; F202-S206 PolarHBondContact O-N 3.04Å; F202-S206 PolarHBondContact O-OG 2.77Å
203	V	86.2	Confident	78.3	Confident	100 Å²	100	94.4 Å²	94.4	61%	0.606	50%	0.495	S	S	*	.	H	α-helix	trans	-69	-43.7	174.2	173	0	0	0	0	110.7	C199 V200 S206 H207	C199-V203 VanDerWaalsContact O-CG2 3.31Å; C199-V203 WeakPolarHBondContact O-CG2 3.38Å; C199-V203 PolarHBondContact O-N 3.05Å; V200-V203 PolarHBondContact O-N 3.46Å; V203-S206 PolarHBondContact O-N 3.04Å; V203-H207 WeakPolarHBondContact O-CB 3.5Å; V203-H207 PolarHBondContact O-N 3.27Å
204	S	81.1	Confident	77.6	Confident	68 Å²	68	92.2 Å²	92.2	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-40.5	175	-63.3	0	0	0	0	111.9	V200 H207 W208	V200-S204 VanDerWaalsContact O-CB 3.31Å; V200-S204 WeakPolarHBondContact O-CB 3.48Å; V200-S204 PolarHBondContact O-N 3.49Å; V200-S204 PolarHBondContact O-OG 3.13Å; S204-H207 PolarHBondContact O-N 2.91Å; S204-W208 VanDerWaalsContact O-CB 3.26Å; S204-W208 WeakPolarHBondContact O-CB 3.39Å; S204-W208 PolarHBondContact O-N 3.31Å
205	F	85.4	Confident	76.7	Confident	111 Å²	111	97.4 Å²	97.4	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-67.7	-38.6	174.2	-175.7	-98.7	0	0	0	110.9	S201 W208 F209	S201-F205 WeakPolarHBondContact O-CA 3.18Å; S201-F205 WeakPolarHBondContact O-CB 3.31Å; S201-F205 PolarHBondContact O-N 3.44Å; F205-W208 HydrophobicContact CD2-CE3 4.11Å; F205-W208 HydrophobicContact CD2-CZ3 4.5Å; F205-W208 AromaticContact CE2-CE3 3.93Å; F205-W208 HydrophobicContact CE2-CE3 3.93Å; F205-W208 AromaticContact CE2-CZ3 3.88Å; F205-W208 HydrophobicContact CE2-CZ3 3.88Å; F205-W208 HydrophobicContact CZ-CZ3 4.5Å; F205-W208 PolarHBondContact O-N 3.08Å; F205-F209 WeakPolarHBondContact O-CA 3.48Å; F205-F209 WeakPolarHBondContact O-CB 3.14Å; F205-F209 PolarHBondContact O-N 3.21Å
206	S	78.2	Confident	75.4	Confident	36 Å²	36	97.6 Å²	97.6	25%	0.252	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-47.4	173.2	-61.8	0	0	0	0	110.1	F202 V203 W208 F209 Y210	F202-S206 WeakPolarHBondContact O-CB 3.31Å; F202-S206 PolarHBondContact O-N 3.04Å; F202-S206 PolarHBondContact O-OG 2.77Å; V203-S206 PolarHBondContact O-N 3.04Å; S206-W208 PolarHBondContact O-N 3.19Å; S206-F209 CarbonylContact O-C 3.57Å; S206-F209 PolarHBondContact O-N 3.12Å; S206-Y210 WeakPolarHBondContact O-CB 3.31Å; S206-Y210 WeakPolarHBondContact O-CD2 3.37Å; S206-Y210 PolarHBondContact O-N 3.06Å
207	H	80.9	Confident	74	Confident	138 Å²	138	100.9 Å²	100.9	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-64.1	-41	177.8	-170.3	-93.2	0	0	0	112.3	V203 S204 H211	V203-H207 WeakPolarHBondContact O-CB 3.5Å; V203-H207 PolarHBondContact O-N 3.27Å; S204-H207 PolarHBondContact O-N 2.91Å; H207-H211 VanDerWaalsContact O-CB 3.27Å; H207-H211 WeakPolarHBondContact O-CB 3.37Å; H207-H211 PolarHBondContact O-N 3.18Å
208	W	79.3	Confident	72.3	Confident	150 Å²	150	102.4 Å²	102.4	57%	0.568	52%	0.523	S	S	*	.	H	α-helix	trans	-65.7	-38.4	172.3	-179.7	81.8	0	0	0	111.7	S204 F205 S206 H211 T212	S204-W208 VanDerWaalsContact O-CB 3.26Å; S204-W208 WeakPolarHBondContact O-CB 3.39Å; S204-W208 PolarHBondContact O-N 3.31Å; F205-W208 HydrophobicContact CD2-CE3 4.11Å; F205-W208 HydrophobicContact CD2-CZ3 4.5Å; F205-W208 AromaticContact CE2-CE3 3.93Å; F205-W208 HydrophobicContact CE2-CE3 3.93Å; F205-W208 AromaticContact CE2-CZ3 3.88Å; F205-W208 HydrophobicContact CE2-CZ3 3.88Å; F205-W208 HydrophobicContact CZ-CZ3 4.5Å; F205-W208 PolarHBondContact O-N 3.08Å; S206-W208 PolarHBondContact O-N 3.19Å; W208-H211 PolarHBondContact O-N 3.43Å; W208-T212 HydrophobicContact CD2-CG2 4.22Å; W208-T212 HydrophobicContact CE3-CG2 4.02Å; W208-T212 HydrophobicContact CH2-CG2 4.09Å; W208-T212 HydrophobicContact CZ2-CG2 4.27Å; W208-T212 HydrophobicContact CZ3-CG2 3.96Å; W208-T212 VanDerWaalsContact O-CB 3.22Å; W208-T212 WeakPolarHBondContact O-CB 2.99Å; W208-T212 VanDerWaalsContact O-CG2 3.22Å; W208-T212 WeakPolarHBondContact O-CG2 3.47Å; W208-T212 PolarHBondContact O-N 3.25Å
209	F	75.7	Confident	70.6	Confident	108 Å²	108	104.2 Å²	104.2	47%	0.474	53%	0.533	S	S	.	.	H	α-helix	trans	-67.6	-44.9	176.6	-170.3	-96.4	0	0	0	111.1	F205 S206 H211 T212 S213	F205-F209 WeakPolarHBondContact O-CA 3.48Å; F205-F209 WeakPolarHBondContact O-CB 3.14Å; F205-F209 PolarHBondContact O-N 3.21Å; S206-F209 CarbonylContact O-C 3.57Å; S206-F209 PolarHBondContact O-N 3.12Å; F209-H211 VanDerWaalsContact C-N 3.3Å; F209-H211 PolarHBondContact O-N 2.94Å; F209-T212 PolarHBondContact O-N 3.23Å; F209-S213 WeakPolarHBondContact O-CA 3.44Å; F209-S213 WeakPolarHBondContact O-CB 3.3Å; F209-S213 PolarHBondContact O-N 2.99Å; F209-S213 PolarHBondContact O-OG 3.39Å; F209-S213 VanDerWaalsContact O-OG 3.06Å
210	Y	71.3	Confident	69	Low	174 Å²	174	104.3 Å²	104.3	68%	0.682	53%	0.534	S	S	*	.	H	α-helix	trans	-59.6	-40.6	171.8	-83	-70.4	0	0	0	111.3	S206 S213 S214	S206-Y210 WeakPolarHBondContact O-CB 3.31Å; S206-Y210 WeakPolarHBondContact O-CD2 3.37Å; S206-Y210 PolarHBondContact O-N 3.06Å; Y210-S213 PolarHBondContact O-OG 3.38Å; Y210-S214 VanDerWaalsContact O-CB 3.22Å; Y210-S214 WeakPolarHBondContact O-CB 3.27Å; Y210-S214 PolarHBondContact O-N 2.76Å; Y210-S214 VanDerWaalsContact O-N 3.15Å
211	H	68.6	Low	67.4	Low	130 Å²	130	102.5 Å²	102.5	60%	0.602	52%	0.523	S	S	*	.	H	α-helix	trans	-74.3	-39.5	179.1	-171	-84.2	0	0	0	112.9	H207 W208 F209 F215	H207-H211 VanDerWaalsContact O-CB 3.27Å; H207-H211 WeakPolarHBondContact O-CB 3.37Å; H207-H211 PolarHBondContact O-N 3.18Å; W208-H211 PolarHBondContact O-N 3.43Å; F209-H211 VanDerWaalsContact C-N 3.3Å; F209-H211 PolarHBondContact O-N 2.94Å; H211-F215 PolarHBondContact O-N 3.46Å
212	T	65.8	Low	66.2	Low	52 Å²	52	101.3 Å²	101.3	32%	0.319	52%	0.521	S	S	.	.	H	α-helix	trans	-79.8	-34	-179.2	-160.2	0	0	0	0	111.9	W208 F209 S214 F215 S216	W208-T212 HydrophobicContact CD2-CG2 4.22Å; W208-T212 HydrophobicContact CE3-CG2 4.02Å; W208-T212 HydrophobicContact CH2-CG2 4.09Å; W208-T212 HydrophobicContact CZ2-CG2 4.27Å; W208-T212 HydrophobicContact CZ3-CG2 3.96Å; W208-T212 VanDerWaalsContact O-CB 3.22Å; W208-T212 WeakPolarHBondContact O-CB 2.99Å; W208-T212 VanDerWaalsContact O-CG2 3.22Å; W208-T212 WeakPolarHBondContact O-CG2 3.47Å; W208-T212 PolarHBondContact O-N 3.25Å; F209-T212 PolarHBondContact O-N 3.23Å; T212-S214 VanDerWaalsContact C-N 3.31Å; T212-F215 PolarHBondContact O-N 3.36Å; T212-F215 VanDerWaalsContact O-N 3.08Å; T212-S216 PolarHBondContact O-N 3.16Å; T212-S216 VanDerWaalsContact O-N 3.09Å
213	S	62.1	Low	65.1	Low	34 Å²	34	99.5 Å²	99.5	24%	0.238	52%	0.515	C	S	.	.	H	α-helix	trans	-62.8	-42.9	170	79	0	0	0	0	109.5	F209 Y210 F215 S216 E217	F209-S213 WeakPolarHBondContact O-CA 3.44Å; F209-S213 WeakPolarHBondContact O-CB 3.3Å; F209-S213 PolarHBondContact O-N 2.99Å; F209-S213 PolarHBondContact O-OG 3.39Å; F209-S213 VanDerWaalsContact O-OG 3.06Å; Y210-S213 PolarHBondContact O-OG 3.38Å; S213-F215 PolarHBondContact O-N 2.97Å; S213-F215 VanDerWaalsContact O-N 3.07Å; S213-S216 PolarHBondContact O-N 2.75Å; S213-E217 WeakPolarHBondContact O-CB 3.26Å; S213-E217 PolarHBondContact O-N 3.36Å
214	S	56.7	Low	64	Low	62 Å²	62	97.4 Å²	97.4	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-22	174.1	-170.9	0	0	0	0	113.8	Y210 T212 K218	Y210-S214 VanDerWaalsContact O-CB 3.22Å; Y210-S214 WeakPolarHBondContact O-CB 3.27Å; Y210-S214 PolarHBondContact O-N 2.76Å; Y210-S214 VanDerWaalsContact O-N 3.15Å; T212-S214 VanDerWaalsContact C-N 3.31Å; S214-K218 WeakPolarHBondContact O-CE 3.49Å
215	F	54.7	Low	63.3	Low	162 Å²	162	98.5 Å²	98.5	71%	0.711	50%	0.498	S	S	*	.	H	α-helix	trans	-91.1	-34.2	178.5	-158.8	-99.2	0	0	0	113.6	H211 T212 S213	H211-F215 PolarHBondContact O-N 3.46Å; T212-F215 PolarHBondContact O-N 3.36Å; T212-F215 VanDerWaalsContact O-N 3.08Å; S213-F215 PolarHBondContact O-N 2.97Å; S213-F215 VanDerWaalsContact O-N 3.07Å
216	S	52.7	Low	62.7	Low	101 Å²	101	99.4 Å²	99.4	71%	0.706	50%	0.504	S	S	*	.	H	α-helix	trans	-82.4	-17.4	176.9	-169.9	0	0	0	0	113.6	T212 S213	T212-S216 PolarHBondContact O-N 3.16Å; T212-S216 VanDerWaalsContact O-N 3.09Å; S213-S216 PolarHBondContact O-N 2.75Å
217	E	48.4	Very low	62.3	Low	102 Å²	102	101.2 Å²	101.2	48%	0.477	51%	0.507	S	S	.	.	S	Bend	trans	-86.1	-11.6	-170.2	-163.1	163.6	-149.7	0	0	113.6	S213 N219 V221	S213-E217 WeakPolarHBondContact O-CB 3.26Å; S213-E217 PolarHBondContact O-N 3.36Å; E217-N219 PolarHBondContact O-N 3.48Å; E217-V221 HydrophobicContact CB-CG2 4.44Å; E217-V221 HydrophobicContact CG-CB 4.21Å; E217-V221 HydrophobicContact CG-CG2 3.28Å; E217-V221 VanDerWaalsContact O-CB 3.24Å; E217-V221 WeakPolarHBondContact O-CB 3.4Å; E217-V221 WeakPolarHBondContact O-CG2 3.36Å; E217-V221 PolarHBondContact O-N 2.77Å
218	K	46.2	Very low	61.9	Low	142 Å²	142	94.8 Å²	94.8	62%	0.617	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.7	-175	-68.3	179.5	-178.7	174.5	0	114.9	S214	S214-K218 WeakPolarHBondContact O-CE 3.49Å
219	N	48.7	Very low	61.9	Low	152 Å²	152	91 Å²	91	81%	0.813	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-29.1	-172.9	-66.9	0.6	0	0	0	114	E217	E217-N219 PolarHBondContact O-N 3.48Å
220	S	51.6	Low	62.2	Low	74 Å²	74	89.1 Å²	89.1	52%	0.517	47%	0.465	S	S	.	.	H	α-helix	trans	-99.5	-24.3	-178.8	-179.5	0	0	0	0	113.7	G222 N224	S220-G222 VanDerWaalsContact C-N 3.33Å; S220-N224 PolarHBondContact O-ND2 3.32Å; S220-N224 VanDerWaalsContact O-ND2 3.16Å
221	V	52.3	Low	62.6	Low	53 Å²	53	81.2 Å²	81.2	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-74.1	-28.3	174.5	175	0	0	0	0	111.6	E217 Q225	E217-V221 HydrophobicContact CB-CG2 4.44Å; E217-V221 HydrophobicContact CG-CB 4.21Å; E217-V221 HydrophobicContact CG-CG2 3.28Å; E217-V221 VanDerWaalsContact O-CB 3.24Å; E217-V221 WeakPolarHBondContact O-CB 3.4Å; E217-V221 WeakPolarHBondContact O-CG2 3.36Å; E217-V221 PolarHBondContact O-N 2.77Å; V221-Q225 WeakPolarHBondContact O-CB 3.17Å; V221-Q225 PolarHBondContact O-N 2.8Å
222	G	58.7	Low	63.2	Low	38 Å²	38	77 Å²	77	39%	0.392	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-53.4	175.2	0	0	0	0	0	113	S220 N224 Q225 E226	S220-G222 VanDerWaalsContact C-N 3.33Å; G222-N224 PolarHBondContact O-N 2.78Å; G222-Q225 PolarHBondContact O-N 3.07Å; G222-E226 PolarHBondContact O-N 3.47Å
223	E	61.5	Low	64.1	Low	103 Å²	103	80.9 Å²	80.9	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-42	-177.4	-166.4	-168.7	153.2	0	0	112.2	Q225 E226 K227	E223-Q225 VanDerWaalsContact C-N 3.3Å; E223-Q225 PolarHBondContact O-N 3.44Å; E223-E226 PolarHBondContact O-N 3.03Å; E223-K227 PolarHBondContact O-N 3.41Å; E223-K227 VanDerWaalsContact OE1-CE 3.32Å; E223-K227 WeakPolarHBondContact OE1-CE 3.25Å; E223-K227 IonicContact OE1-NZ 2.88Å; E223-K227 PolarHBondContact OE1-NZ 3.43Å
224	N	64	Low	65.1	Low	55 Å²	55	80.8 Å²	80.8	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-74.4	-19.9	178.4	-71.5	-49.2	0	0	0	113.2	S220 G222 L228 R429	S220-N224 PolarHBondContact O-ND2 3.32Å; S220-N224 VanDerWaalsContact O-ND2 3.16Å; G222-N224 PolarHBondContact O-N 2.78Å; N224-L228 WeakPolarHBondContact O-CB 3.42Å; N224-R429 PolarHBondContact O-NH1 3.22Å
225	Q	66.7	Low	66.3	Low	92 Å²	92	79.2 Å²	79.2	43%	0.43	42%	0.415	S	S	.	.	H	α-helix	trans	-79.9	-40.1	170.8	-176.6	166.8	-9.3	0	0	110.8	V221 G222 E223 L228 N229	V221-Q225 WeakPolarHBondContact O-CB 3.17Å; V221-Q225 PolarHBondContact O-N 2.8Å; G222-Q225 PolarHBondContact O-N 3.07Å; E223-Q225 VanDerWaalsContact C-N 3.3Å; E223-Q225 PolarHBondContact O-N 3.44Å; Q225-L228 PolarHBondContact O-N 3.46Å; Q225-N229 WeakPolarHBondContact O-CB 3.09Å; Q225-N229 PolarHBondContact O-N 2.74Å; Q225-N229 PolarHBondContact O-ND2 3.49Å; Q225-N229 PolarHBondContact O-OD1 3.23Å
226	E	72.7	Confident	67.6	Low	130 Å²	130	75.3 Å²	75.3	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-61.1	-52.6	175.9	-172.5	177.6	177.9	0	0	111.7	G222 E223 L228 N229 V230	G222-E226 PolarHBondContact O-N 3.47Å; E223-E226 PolarHBondContact O-N 3.03Å; E226-L228 VanDerWaalsContact C-N 3.27Å; E226-L228 PolarHBondContact O-N 3.44Å; E226-N229 WeakPolarHBondContact O-CB 3.41Å; E226-N229 PolarHBondContact O-N 3.34Å; E226-N229 VanDerWaalsContact O-N 3.12Å; E226-V230 VanDerWaalsContact O-CG2 3.29Å; E226-V230 WeakPolarHBondContact O-CG2 3.36Å; E226-V230 PolarHBondContact O-N 3.37Å
227	K	69.7	Low	69.2	Low	73 Å²	73	74.5 Å²	74.5	32%	0.317	38%	0.383	S	S	.	.	H	α-helix	trans	-58.8	-38	178.4	-72	179.9	-174.3	170.4	0	112.8	E223 V230 A231 L444	E223-K227 PolarHBondContact O-N 3.41Å; E223-K227 VanDerWaalsContact OE1-CE 3.32Å; E223-K227 WeakPolarHBondContact OE1-CE 3.25Å; E223-K227 IonicContact OE1-NZ 2.88Å; E223-K227 PolarHBondContact OE1-NZ 3.43Å; K227-V230 PolarHBondContact O-N 3.36Å; K227-A231 WeakPolarHBondContact O-CB 3.32Å; K227-A231 PolarHBondContact O-N 2.87Å; K227-L444 HydrophobicContact CB-CD2 3.69Å; K227-L444 HydrophobicContact CB-CG 4.39Å; K227-L444 HydrophobicContact CD-CD2 3.65Å; K227-L444 HydrophobicContact CG-CD2 4.31Å
228	L	72.7	Confident	70.7	Confident	3 Å²	3	70 Å²	70	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-42.1	176.6	-174.6	63.8	0	0	0	111.9	N224 Q225 E226 V230 A231 E232 F425 M426 R429	N224-L228 WeakPolarHBondContact O-CB 3.42Å; Q225-L228 PolarHBondContact O-N 3.46Å; E226-L228 VanDerWaalsContact C-N 3.27Å; E226-L228 PolarHBondContact O-N 3.44Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.19Å; L228-A231 PolarHBondContact O-N 2.79Å; L228-E232 PolarHBondContact O-N 3.33Å; L228-F425 HydrophobicContact CD1-CD1 3.48Å; L228-F425 VanDerWaalsContact CD1-CD1 3.48Å; L228-F425 HydrophobicContact CD1-CE1 3.62Å; L228-F425 HydrophobicContact CD2-CD1 4.34Å; L228-F425 HydrophobicContact CD2-CE1 4.09Å; L228-F425 HydrophobicContact CG-CE1 4.37Å; L228-M426 HydrophobicContact CD1-SD 4Å; L228-M426 HydrophobicContact CD2-SD 3.7Å; L228-M426 HydrophobicContact CG-SD 4.07Å; L228-R429 VanDerWaalsContact CD2-NH1 3.34Å
229	N	78.5	Confident	72.2	Confident	71 Å²	71	65.1 Å²	65.1	38%	0.38	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-41.2	174.9	-73.5	-11.3	0	0	0	110.8	Q225 E226 E232 Q233	Q225-N229 WeakPolarHBondContact O-CB 3.09Å; Q225-N229 PolarHBondContact O-N 2.74Å; Q225-N229 PolarHBondContact O-ND2 3.49Å; Q225-N229 PolarHBondContact O-OD1 3.23Å; E226-N229 WeakPolarHBondContact O-CB 3.41Å; E226-N229 PolarHBondContact O-N 3.34Å; E226-N229 VanDerWaalsContact O-N 3.12Å; N229-E232 PolarHBondContact O-N 3.24Å; N229-Q233 WeakPolarHBondContact O-CB 3.45Å; N229-Q233 VanDerWaalsContact O-CG 3.25Å; N229-Q233 WeakPolarHBondContact O-CG 3.49Å; N229-Q233 PolarHBondContact O-N 3.23Å
230	V	82.9	Confident	73.8	Confident	69 Å²	69	66 Å²	66	42%	0.418	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-45.2	174	173	0	0	0	0	110.8	E226 K227 L228 E232 Q233 T234	E226-V230 VanDerWaalsContact O-CG2 3.29Å; E226-V230 WeakPolarHBondContact O-CG2 3.36Å; E226-V230 PolarHBondContact O-N 3.37Å; K227-V230 PolarHBondContact O-N 3.36Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.19Å; V230-E232 VanDerWaalsContact C-N 3.3Å; V230-E232 PolarHBondContact O-N 2.84Å; V230-Q233 PolarHBondContact O-N 3.14Å; V230-T234 HydrophobicContact CG1-CG2 4.39Å; V230-T234 WeakPolarHBondContact O-CB 3.42Å; V230-T234 VanDerWaalsContact O-CG2 3.32Å; V230-T234 WeakPolarHBondContact O-CG2 3.34Å; V230-T234 PolarHBondContact O-N 3.19Å; V230-T234 PolarHBondContact O-OG1 2.78Å
231	A	79.9	Confident	75.1	Confident	7 Å²	7	66.9 Å²	66.9	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-34.6	177.3	0	0	0	0	0	112.8	K227 L228 T234 L235 L447 L451	K227-A231 WeakPolarHBondContact O-CB 3.32Å; K227-A231 PolarHBondContact O-N 2.87Å; L228-A231 PolarHBondContact O-N 2.79Å; A231-T234 WeakPolarHBondContact CA-OG1 3.39Å; A231-T234 PolarHBondContact O-OG1 3.23Å; A231-L235 WeakPolarHBondContact O-CB 3.48Å; A231-L235 PolarHBondContact O-N 3.45Å; A231-L447 HydrophobicContact CB-CD2 4.42Å; A231-L451 HydrophobicContact CB-CD2 3.87Å
232	E	80.1	Confident	76	Confident	43 Å²	43	65.8 Å²	65.8	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-45	175.2	-169.7	-175.5	152.3	0	0	111.8	L228 N229 V230 L235 K236	L228-E232 PolarHBondContact O-N 3.33Å; N229-E232 PolarHBondContact O-N 3.24Å; V230-E232 VanDerWaalsContact C-N 3.3Å; V230-E232 PolarHBondContact O-N 2.84Å; E232-L235 PolarHBondContact O-N 2.86Å; E232-K236 WeakPolarHBondContact O-CG 3.47Å; E232-K236 PolarHBondContact O-N 3.19Å; E232-K236 WeakPolarHBondContact OE1-CE 3.36Å; E232-K236 IonicContact OE1-NZ 3.1Å; E232-K236 PolarHBondContact OE1-NZ 2.92Å
233	Q	85.1	Confident	76.8	Confident	132 Å²	132	66.8 Å²	66.8	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-61.5	-45.4	178.5	-77.2	177.2	-12.3	0	0	112.1	N229 V230 K236 Q237	N229-Q233 WeakPolarHBondContact O-CB 3.45Å; N229-Q233 VanDerWaalsContact O-CG 3.25Å; N229-Q233 WeakPolarHBondContact O-CG 3.49Å; N229-Q233 PolarHBondContact O-N 3.23Å; V230-Q233 PolarHBondContact O-N 3.14Å; Q233-K236 PolarHBondContact O-N 2.88Å; Q233-Q237 WeakPolarHBondContact O-CB 3.49Å; Q233-Q237 PolarHBondContact O-N 2.68Å
234	T	84	Confident	77.5	Confident	33 Å²	33	65.5 Å²	65.5	20%	0.202	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-40.2	177.4	45.8	0	0	0	0	111.8	V230 A231 Q237 L238 L451	V230-T234 HydrophobicContact CG1-CG2 4.39Å; V230-T234 WeakPolarHBondContact O-CB 3.42Å; V230-T234 VanDerWaalsContact O-CG2 3.32Å; V230-T234 WeakPolarHBondContact O-CG2 3.34Å; V230-T234 PolarHBondContact O-N 3.19Å; V230-T234 PolarHBondContact O-OG1 2.78Å; A231-T234 WeakPolarHBondContact CA-OG1 3.39Å; A231-T234 PolarHBondContact O-OG1 3.23Å; T234-Q237 WeakPolarHBondContact O-CB 3.38Å; T234-Q237 PolarHBondContact O-N 2.81Å; T234-L238 WeakPolarHBondContact O-CG 3.27Å; T234-L238 PolarHBondContact O-N 3.37Å; T234-L451 WeakPolarHBondContact OG1-CD2 3.39Å
235	L	80.8	Confident	77.6	Confident	28 Å²	28	65.9 Å²	65.9	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-43	175.3	-169.8	154	0	0	0	111.9	A231 E232 Q237 L238 Q239 R419 C422 L451	A231-L235 WeakPolarHBondContact O-CB 3.48Å; A231-L235 PolarHBondContact O-N 3.45Å; E232-L235 PolarHBondContact O-N 2.86Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.88Å; L235-L238 PolarHBondContact O-N 3.07Å; L235-Q239 PolarHBondContact O-N 3.4Å; L235-R419 HydrophobicContact CD1-CB 4.26Å; L235-R419 HydrophobicContact CD1-CG 4.4Å; L235-C422 HydrophobicContact CD1-CB 3.83Å; L235-L451 HydrophobicContact CB-CD1 4.22Å
236	K	83	Confident	77.5	Confident	80 Å²	80	63.9 Å²	63.9	35%	0.348	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-41.6	174	-73.8	177.6	-176.4	170	0	111.5	E232 Q233 Q239 R240	E232-K236 WeakPolarHBondContact O-CG 3.47Å; E232-K236 PolarHBondContact O-N 3.19Å; E232-K236 WeakPolarHBondContact OE1-CE 3.36Å; E232-K236 IonicContact OE1-NZ 3.1Å; E232-K236 PolarHBondContact OE1-NZ 2.92Å; Q233-K236 PolarHBondContact O-N 2.88Å; K236-Q239 PolarHBondContact O-N 2.91Å; K236-R240 WeakPolarHBondContact O-CG 3.39Å; K236-R240 PolarHBondContact O-N 3.29Å; K236-R240 VanDerWaalsContact O-N 3.13Å
237	Q	85.1	Confident	77.5	Confident	85 Å²	85	63.3 Å²	63.3	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-45.2	177.5	-175.6	-179.7	3.9	0	0	112.1	Q233 T234 L235 Q239 R240 R241	Q233-Q237 WeakPolarHBondContact O-CB 3.49Å; Q233-Q237 PolarHBondContact O-N 2.68Å; T234-Q237 WeakPolarHBondContact O-CB 3.38Å; T234-Q237 PolarHBondContact O-N 2.81Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.88Å; Q237-Q239 VanDerWaalsContact C-N 3.32Å; Q237-Q239 PolarHBondContact O-N 2.98Å; Q237-R240 PolarHBondContact O-N 2.94Å; Q237-R241 PolarHBondContact O-N 2.81Å; Q237-R241 VanDerWaalsContact O-N 3.1Å
238	L	79.9	Confident	77.4	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-38	178.6	-67.8	176.7	0	0	0	112.2	T234 L235 R241 L242 L415 L451 K455 L458	T234-L238 WeakPolarHBondContact O-CG 3.27Å; T234-L238 PolarHBondContact O-N 3.37Å; L235-L238 PolarHBondContact O-N 3.07Å; L238-R241 PolarHBondContact O-N 3.24Å; L238-L242 PolarHBondContact O-N 3.37Å; L238-L242 VanDerWaalsContact O-N 3.1Å; L238-L415 HydrophobicContact CB-CD1 3.88Å; L238-L451 HydrophobicContact CD1-CD1 4.02Å; L238-K455 HydrophobicContact CD1-CB 4.1Å; L238-K455 HydrophobicContact CD2-CB 3.85Å; L238-K455 HydrophobicContact CD2-CG 3.9Å; L238-L458 HydrophobicContact CB-CD1 4.2Å; L238-L458 HydrophobicContact CD2-CD1 3.94Å; L238-L458 HydrophobicContact CG-CD1 4.49Å
239	Q	78	Confident	76.8	Confident	39 Å²	39	66.9 Å²	66.9	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-46	177.4	-170.5	173.1	-27.8	0	0	111.4	L235 K236 Q237 R241 L242 D243	L235-Q239 PolarHBondContact O-N 3.4Å; K236-Q239 PolarHBondContact O-N 2.91Å; Q237-Q239 VanDerWaalsContact C-N 3.32Å; Q237-Q239 PolarHBondContact O-N 2.98Å; Q239-R241 VanDerWaalsContact C-N 3.34Å; Q239-R241 PolarHBondContact O-N 2.83Å; Q239-L242 PolarHBondContact O-N 2.86Å; Q239-D243 PolarHBondContact O-N 2.87Å
240	R	82.6	Confident	76.2	Confident	171 Å²	171	67.5 Å²	67.5	65%	0.645	32%	0.322	S	S	*	.	H	α-helix	trans	-59	-43.9	175.8	-70.9	177.3	-171	168.3	1	112.3	K236 Q237 L242 D243 D244	K236-R240 WeakPolarHBondContact O-CG 3.39Å; K236-R240 PolarHBondContact O-N 3.29Å; K236-R240 VanDerWaalsContact O-N 3.13Å; Q237-R240 PolarHBondContact O-N 2.94Å; R240-L242 VanDerWaalsContact C-N 3.28Å; R240-L242 PolarHBondContact O-N 3.33Å; R240-D243 PolarHBondContact O-N 3.43Å; R240-D244 WeakPolarHBondContact O-CB 3.29Å; R240-D244 VanDerWaalsContact O-CG 3.23Å; R240-D244 PolarHBondContact O-N 2.71Å
241	R	78.4	Confident	75.4	Confident	92 Å²	92	68.2 Å²	68.2	35%	0.347	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-38.9	177.6	-75.4	-169.1	172.6	-170.6	-4.3	112.4	Q237 L238 Q239 V245 D459 E462	Q237-R241 PolarHBondContact O-N 2.81Å; Q237-R241 VanDerWaalsContact O-N 3.1Å; L238-R241 PolarHBondContact O-N 3.24Å; Q239-R241 VanDerWaalsContact C-N 3.34Å; Q239-R241 PolarHBondContact O-N 2.83Å; R241-V245 VanDerWaalsContact O-CG2 3.27Å; R241-V245 WeakPolarHBondContact O-CG2 3.45Å; R241-V245 PolarHBondContact O-N 3.2Å; R241-V245 VanDerWaalsContact O-N 3.09Å; R241-D459 IonicContact NH1-OD1 2.81Å; R241-D459 PolarHBondContact NH1-OD1 2.99Å; R241-E462 IonicContact NH1-OE2 3.21Å
242	L	71.7	Confident	74.4	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-43.9	176.7	-166.2	69.2	0	0	0	110.9	L238 Q239 R240 V245 E246 E412 L458	L238-L242 PolarHBondContact O-N 3.37Å; L238-L242 VanDerWaalsContact O-N 3.1Å; Q239-L242 PolarHBondContact O-N 2.86Å; R240-L242 VanDerWaalsContact C-N 3.28Å; R240-L242 PolarHBondContact O-N 3.33Å; L242-V245 PolarHBondContact O-N 3.49Å; L242-E246 WeakPolarHBondContact O-CG 3.18Å; L242-E246 PolarHBondContact O-N 3.24Å; L242-E412 HydrophobicContact CD1-CG 4.22Å; L242-E412 HydrophobicContact CD2-CG 4.32Å; L242-L458 HydrophobicContact CD1-CD2 4.03Å
243	D	75.2	Confident	73.5	Confident	58 Å²	58	72.7 Å²	72.7	31%	0.31	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-42.3	176.9	-69.1	-31.6	0	0	0	111.8	Q239 R240 V245 E246 Q247	Q239-D243 PolarHBondContact O-N 2.87Å; R240-D243 PolarHBondContact O-N 3.43Å; D243-V245 PolarHBondContact O-N 3.47Å; D243-E246 WeakPolarHBondContact O-CB 3.12Å; D243-E246 PolarHBondContact O-N 3.24Å; D243-Q247 WeakPolarHBondContact O-CG 3.5Å; D243-Q247 PolarHBondContact O-N 3.31Å
244	D	77.1	Confident	72.3	Confident	76 Å²	76	68.4 Å²	68.4	41%	0.406	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-43	177.4	-70.2	-19.6	0	0	0	111.3	R240 E246 Q247 L248	R240-D244 WeakPolarHBondContact O-CB 3.29Å; R240-D244 VanDerWaalsContact O-CG 3.23Å; R240-D244 PolarHBondContact O-N 2.71Å; D244-E246 VanDerWaalsContact C-N 3.34Å; D244-Q247 PolarHBondContact O-N 3.33Å; D244-L248 WeakPolarHBondContact O-CB 3.19Å; D244-L248 WeakPolarHBondContact O-CG 3.36Å; D244-L248 PolarHBondContact O-N 2.86Å
245	V	65.4	Low	70.9	Confident	64 Å²	64	73.7 Å²	73.7	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-38.2	176.3	171.4	0	0	0	0	111.1	R241 L242 D243 R249	R241-V245 VanDerWaalsContact O-CG2 3.27Å; R241-V245 WeakPolarHBondContact O-CG2 3.45Å; R241-V245 PolarHBondContact O-N 3.2Å; R241-V245 VanDerWaalsContact O-N 3.09Å; L242-V245 PolarHBondContact O-N 3.49Å; D243-V245 PolarHBondContact O-N 3.47Å; V245-R249 WeakPolarHBondContact O-CB 3.39Å; V245-R249 PolarHBondContact O-N 2.89Å
246	E	65.6	Low	69.6	Low	49 Å²	49	75 Å²	75	23%	0.229	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.6	172.9	-77.2	-169.5	-178.2	0	0	112	L242 D243 D244 R249 Q250 K518	L242-E246 WeakPolarHBondContact O-CG 3.18Å; L242-E246 PolarHBondContact O-N 3.24Å; D243-E246 WeakPolarHBondContact O-CB 3.12Å; D243-E246 PolarHBondContact O-N 3.24Å; D244-E246 VanDerWaalsContact C-N 3.34Å; E246-R249 PolarHBondContact O-N 2.68Å; E246-Q250 WeakPolarHBondContact O-CB 3.26Å; E246-Q250 VanDerWaalsContact O-CG 3.3Å; E246-Q250 WeakPolarHBondContact O-CG 3.34Å; E246-Q250 PolarHBondContact O-N 2.88Å; E246-K518 WeakPolarHBondContact OE2-CE 3.47Å; E246-K518 IonicContact OE2-NZ 2.65Å
247	Q	72.6	Confident	68	Low	118 Å²	118	74.7 Å²	74.7	55%	0.551	36%	0.362	S	S	*	.	H	α-helix	trans	-66.5	-44.5	178.6	-74.5	-175.8	4.6	0	0	112.1	D243 D244 R249 Q250 T251	D243-Q247 WeakPolarHBondContact O-CG 3.5Å; D243-Q247 PolarHBondContact O-N 3.31Å; D244-Q247 PolarHBondContact O-N 3.33Å; Q247-R249 PolarHBondContact O-N 2.87Å; Q247-Q250 PolarHBondContact O-N 3.44Å; Q247-Q250 VanDerWaalsContact O-N 3.16Å; Q247-T251 WeakPolarHBondContact O-CB 3.37Å; Q247-T251 VanDerWaalsContact O-CG2 3.32Å; Q247-T251 WeakPolarHBondContact O-CG2 3.3Å; Q247-T251 PolarHBondContact O-N 3.13Å; Q247-T251 PolarHBondContact O-OG1 3.48Å
248	L	66.1	Low	66.1	Low	111 Å²	111	76 Å²	76	58%	0.581	37%	0.372	S	S	*	.	H	α-helix	trans	-57.5	-41.8	174	-75.7	172.7	0	0	0	110.8	D244 T251 L252	D244-L248 WeakPolarHBondContact O-CB 3.19Å; D244-L248 WeakPolarHBondContact O-CG 3.36Å; D244-L248 PolarHBondContact O-N 2.86Å; L248-T251 WeakPolarHBondContact CA-OG1 3.47Å; L248-T251 PolarHBondContact O-N 3.44Å; L248-T251 PolarHBondContact O-OG1 3.05Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.24Å; L248-L252 PolarHBondContact O-N 2.8Å
249	R	61.6	Low	64.5	Low	41 Å²	41	80.3 Å²	80.3	16%	0.155	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-44.3	175.3	-174.7	177.3	-176.5	160.6	0.2	112.5	V245 E246 Q247 T251 L252 N253 C513 N514	V245-R249 WeakPolarHBondContact O-CB 3.39Å; V245-R249 PolarHBondContact O-N 2.89Å; E246-R249 PolarHBondContact O-N 2.68Å; Q247-R249 PolarHBondContact O-N 2.87Å; R249-T251 VanDerWaalsContact C-N 3.32Å; R249-T251 PolarHBondContact O-N 3.18Å; R249-L252 PolarHBondContact O-N 3.41Å; R249-N253 WeakPolarHBondContact O-CB 3.26Å; R249-N253 PolarHBondContact O-N 3.24Å; R249-N253 PolarHBondContact O-ND2 2.99Å; R249-N253 PolarHBondContact O-OD1 3.2Å; R249-C513 PolarHBondContact NE-O 3.25Å; R249-C513 PolarHBondContact NH1-O 3.32Å; R249-C513 PolarHBondContact NH2-O 3.21Å; R249-N514 PolarHBondContact NH2-OD1 3.13Å
250	Q	64.4	Low	62.7	Low	83 Å²	83	82.4 Å²	82.4	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-38.9	179.2	-75.2	174.1	4.6	0	0	111.9	E246 Q247 N253 A254	E246-Q250 WeakPolarHBondContact O-CB 3.26Å; E246-Q250 VanDerWaalsContact O-CG 3.3Å; E246-Q250 WeakPolarHBondContact O-CG 3.34Å; E246-Q250 PolarHBondContact O-N 2.88Å; Q247-Q250 PolarHBondContact O-N 3.44Å; Q247-Q250 VanDerWaalsContact O-N 3.16Å; Q250-N253 PolarHBondContact O-N 3.11Å; Q250-A254 VanDerWaalsContact O-CB 3.3Å; Q250-A254 WeakPolarHBondContact O-CB 3.27Å; Q250-A254 PolarHBondContact O-N 2.79Å
251	T	67.1	Low	60.7	Low	84 Å²	84	81.7 Å²	81.7	52%	0.515	40%	0.403	S	S	.	.	H	α-helix	trans	-69.4	-40.8	176.8	53.3	0	0	0	0	111.9	Q247 L248 R249 A254 Y255	Q247-T251 WeakPolarHBondContact O-CB 3.37Å; Q247-T251 VanDerWaalsContact O-CG2 3.32Å; Q247-T251 WeakPolarHBondContact O-CG2 3.3Å; Q247-T251 PolarHBondContact O-N 3.13Å; Q247-T251 PolarHBondContact O-OG1 3.48Å; L248-T251 WeakPolarHBondContact CA-OG1 3.47Å; L248-T251 PolarHBondContact O-N 3.44Å; L248-T251 PolarHBondContact O-OG1 3.05Å; R249-T251 VanDerWaalsContact C-N 3.32Å; R249-T251 PolarHBondContact O-N 3.18Å; T251-A254 PolarHBondContact O-N 3.19Å; T251-Y255 WeakPolarHBondContact O-CB 3.22Å; T251-Y255 PolarHBondContact O-N 3.38Å
252	L	59.2	Low	59	Low	102 Å²	102	81.1 Å²	81.1	53%	0.534	42%	0.418	S	S	.	.	H	α-helix	trans	-61	-46.6	171.8	-73.2	170.8	0	0	0	111.4	L248 R249 A254 Y255 E256	L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.24Å; L248-L252 PolarHBondContact O-N 2.8Å; R249-L252 PolarHBondContact O-N 3.41Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.13Å; L252-Y255 PolarHBondContact O-N 3.03Å; L252-E256 WeakPolarHBondContact O-CG 3.44Å; L252-E256 PolarHBondContact O-N 2.87Å
253	N	59.7	Low	57.6	Low	43 Å²	43	84.3 Å²	84.3	23%	0.23	44%	0.443	C	S	.	.	H	α-helix	trans	-60	-41.6	175.4	-67.3	-12	0	0	0	111.9	R249 Q250 I257	R249-N253 WeakPolarHBondContact O-CB 3.26Å; R249-N253 PolarHBondContact O-N 3.24Å; R249-N253 PolarHBondContact O-ND2 2.99Å; R249-N253 PolarHBondContact O-OD1 3.2Å; Q250-N253 PolarHBondContact O-N 3.11Å; N253-I257 VanDerWaalsContact O-CG1 3.31Å; N253-I257 WeakPolarHBondContact O-CG1 3.37Å; N253-I257 PolarHBondContact O-N 3.32Å; N253-I257 VanDerWaalsContact O-N 3.15Å
254	A	61.3	Low	56	Low	42 Å²	42	86.8 Å²	86.8	35%	0.347	47%	0.465	S	S	.	.	H	α-helix	trans	-70.1	-35.6	178.7	0	0	0	0	0	112.6	Q250 T251 L252 I257 N258	Q250-A254 VanDerWaalsContact O-CB 3.3Å; Q250-A254 WeakPolarHBondContact O-CB 3.27Å; Q250-A254 PolarHBondContact O-N 2.79Å; T251-A254 PolarHBondContact O-N 3.19Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.13Å; A254-I257 PolarHBondContact O-N 3.36Å; A254-N258 WeakPolarHBondContact O-CB 3.48Å; A254-N258 PolarHBondContact O-N 3.31Å; A254-N258 PolarHBondContact O-ND2 2.86Å; A254-N258 VanDerWaalsContact O-ND2 3.09Å
255	Y	53.9	Low	54	Low	143 Å²	143	87.4 Å²	87.4	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-67.1	-42.1	175.2	-175	-102.4	0	0	0	111.6	T251 L252 I257 N258 Q259	T251-Y255 WeakPolarHBondContact O-CB 3.22Å; T251-Y255 PolarHBondContact O-N 3.38Å; L252-Y255 PolarHBondContact O-N 3.03Å; Y255-I257 VanDerWaalsContact C-N 3.35Å; Y255-I257 PolarHBondContact O-N 2.93Å; Y255-N258 PolarHBondContact O-N 2.67Å; Y255-Q259 HydrophobicContact CD1-CG 4.35Å; Y255-Q259 VanDerWaalsContact CE1-CD 3.44Å; Y255-Q259 HydrophobicContact CE1-CG 3.93Å; Y255-Q259 HydrophobicContact CE2-CG 4.44Å; Y255-Q259 PolarHBondContact O-N 3.47Å; Y255-Q259 PolarHBondContact OH-NE2 3.14Å
256	E	54.5	Low	52.3	Low	57 Å²	57	90.3 Å²	90.3	27%	0.266	50%	0.498	S	S	.	.	H	α-helix	trans	-57.6	-46.8	173.1	-76.1	179.9	167.1	0	0	110.8	L252 N258 H260	L252-E256 WeakPolarHBondContact O-CG 3.44Å; L252-E256 PolarHBondContact O-N 2.87Å; E256-N258 PolarHBondContact O-N 2.82Å; E256-H260 PolarHBondContact O-CD2 2.86Å; E256-H260 PolarHBondContact O-N 3.49Å
257	I	48.5	Very low	50.9	Low	73 Å²	73	93.2 Å²	93.2	37%	0.374	52%	0.524	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.9	-66.1	164.8	0	0	0	111.6	N253 A254 Y255 H260 F261	N253-I257 VanDerWaalsContact O-CG1 3.31Å; N253-I257 WeakPolarHBondContact O-CG1 3.37Å; N253-I257 PolarHBondContact O-N 3.32Å; N253-I257 VanDerWaalsContact O-N 3.15Å; A254-I257 PolarHBondContact O-N 3.36Å; Y255-I257 VanDerWaalsContact C-N 3.35Å; Y255-I257 PolarHBondContact O-N 2.93Å; I257-H260 PolarHBondContact O-N 3.18Å; I257-F261 HydrophobicContact CG2-CD2 4.42Å; I257-F261 HydrophobicContact CG2-CE2 4.39Å; I257-F261 WeakPolarHBondContact O-CD2 3.32Å
258	N	45.7	Very low	48.9	Very low	111 Å²	111	92 Å²	92	59%	0.594	53%	0.534	S	S	*	.	H	α-helix	trans	-74.1	-31.1	-176.4	-73.6	-38.4	0	0	0	113.8	A254 Y255 E256 H260 F261 A262	A254-N258 WeakPolarHBondContact O-CB 3.48Å; A254-N258 PolarHBondContact O-N 3.31Å; A254-N258 PolarHBondContact O-ND2 2.86Å; A254-N258 VanDerWaalsContact O-ND2 3.09Å; Y255-N258 PolarHBondContact O-N 2.67Å; E256-N258 PolarHBondContact O-N 2.82Å; N258-H260 VanDerWaalsContact C-N 3.29Å; N258-H260 PolarHBondContact O-N 3.3Å; N258-F261 PolarHBondContact O-N 3.35Å; N258-A262 PolarHBondContact O-N 2.94Å
259	Q	45.8	Very low	47.3	Very low	100 Å²	100	92.5 Å²	92.5	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-31.6	172	-82.2	-162.9	-9.3	0	0	112.6	Y255 F261 S263	Y255-Q259 HydrophobicContact CD1-CG 4.35Å; Y255-Q259 VanDerWaalsContact CE1-CD 3.44Å; Y255-Q259 HydrophobicContact CE1-CG 3.93Å; Y255-Q259 HydrophobicContact CE2-CG 4.44Å; Y255-Q259 PolarHBondContact O-N 3.47Å; Y255-Q259 PolarHBondContact OH-NE2 3.14Å; Q259-F261 VanDerWaalsContact C-N 3.34Å; Q259-F261 PolarHBondContact O-N 3.21Å; Q259-S263 PolarHBondContact O-OG 3.48Å
260	H	40.5	Very low	46	Very low	83 Å²	83	100.5 Å²	100.5	38%	0.384	58%	0.58	S	S	.	*	H	α-helix	trans	-70.9	-25.4	177.8	-81.3	-65.2	0	0	0	113.7	E256 I257 N258	E256-H260 PolarHBondContact O-CD2 2.86Å; E256-H260 PolarHBondContact O-N 3.49Å; I257-H260 PolarHBondContact O-N 3.18Å; N258-H260 VanDerWaalsContact C-N 3.29Å; N258-H260 PolarHBondContact O-N 3.3Å
261	F	41.3	Very low	44.3	Very low	156 Å²	156	100.1 Å²	100.1	68%	0.684	60%	0.598	S	S	*	*	H	α-helix	trans	-84.7	-29	175.5	-85.5	-83.9	0	0	0	113.9	I257 N258 Q259 S263	I257-F261 HydrophobicContact CG2-CD2 4.42Å; I257-F261 HydrophobicContact CG2-CE2 4.39Å; I257-F261 WeakPolarHBondContact O-CD2 3.32Å; N258-F261 PolarHBondContact O-N 3.35Å; Q259-F261 VanDerWaalsContact C-N 3.34Å; Q259-F261 PolarHBondContact O-N 3.21Å; F261-S263 PolarHBondContact O-N 2.62Å
262	A	42.6	Very low	42.6	Very low	79 Å²	79	105.5 Å²	105.5	65%	0.653	62%	0.619	S	S	*	*	H	α-helix	trans	-73.4	-15.2	177	0	0	0	0	0	113.6	N258	N258-A262 PolarHBondContact O-N 2.94Å
263	S	42.2	Very low	41.3	Very low	98 Å²	98	109.5 Å²	109.5	69%	0.685	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-0.4	-178.3	-51.2	0	0	0	0	113.8	Q259 F261	Q259-S263 PolarHBondContact O-OG 3.48Å; F261-S263 PolarHBondContact O-N 2.62Å
264	S	40.7	Very low	39.9	Very low	109 Å²	109	118.9 Å²	118.9	76%	0.762	67%	0.665	S	S	*	*	S	Bend	trans	-126.5	10.9	-172.7	-66.1	0	0	0	0	115.2
265	S	35.6	Very low	38.3	Very low	90 Å²	90	123.1 Å²	123.1	63%	0.629	68%	0.682	S	S	*	*			trans	-138	97	173.5	51.4	0	0	0	0	111.7	S267	S265-S267 PolarHBondContact O-N 3.33Å
266	S	29.5	Very low	37.1	Very low	124 Å²	124	123.2 Å²	123.2	87%	0.867	69%	0.692	S	S	*	*			trans	-77.7	93.6	172.9	57.2	0	0	0	0	111.2
267	S	35.7	Very low	35.9	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	73%	0.725	S	S	*	*			trans	-171.5	106.8	151.8	47.1	0	0	0	0	110.8	S265	S265-S267 PolarHBondContact O-N 3.33Å
268	A	30.9	Very low	34.9	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	75%	0.745	S	S	*	*			trans	-69.3	157	167.9	0	0	0	0	0	110.3
269	P	33.7	Very low	34	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	75%	0.748	S	S	*	*				-141.7	138.6	91.1	33	-15.9	0	0	0	115.6
270	K	33.6	Very low	33.3	Very low	210 Å²	210	131 Å²	131	91%	0.913	76%	0.761	S	S	*	*			trans	7.7	123	142.2	-60.4	173	-178.1	174.3	0	117.3
271	G	27.9	Very low	32.8	Very low	74 Å²	74	134.2 Å²	134.2	76%	0.763	78%	0.776	S	S	*	*			trans	129.9	81.8	146	0	0	0	0	0	114.6
272	M	32.2	Very low	32.3	Very low	197 Å²	197	134.5 Å²	134.5	97%	0.97	78%	0.784	S	S	*	*			trans	-152	135.3	141.9	-135.8	126.9	110.2	0	0	110.6
273	K	32.1	Very low	32	Very low	186 Å²	186	139.7 Å²	139.7	81%	0.809	79%	0.791	S	S	*	*			trans	-53.4	135.2	-167.6	-76.9	166.6	169.4	174.2	0	112.7	D275	K273-D275 PolarHBondContact O-N 2.92Å
274	R	29.7	Very low	31.5	Very low	241 Å²	241	138.4 Å²	138.4	91%	0.909	78%	0.782	S	S	*	*			trans	-51.6	113.1	144.1	-79.2	179.2	171.9	96.3	0.2	106.1
275	D	27.7	Very low	31.1	Very low	131 Å²	131	141 Å²	141	70%	0.701	78%	0.784	S	S	*	*			trans	178.5	136.1	152	-76.2	-30.7	0	0	0	105.1	K273	K273-D275 PolarHBondContact O-N 2.92Å
276	N	28.3	Very low	31.2	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	79%	0.791	S	S	*	*			trans	90.5	57.1	-176.3	-43.7	-39	0	0	0	116.6
277	L	30.5	Very low	31.4	Very low	184 Å²	184	141.7 Å²	141.7	96%	0.963	78%	0.775	S	S	*	*			trans	-130.4	46	148.7	-127.1	89.2	0	0	0	110.2
278	S	26.5	Very low	31.3	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	77%	0.769	S	S	*	*			trans	-94.5	80.5	162.6	52.5	0	0	0	0	107.7
279	S	27.5	Very low	31.6	Very low	94 Å²	94	143.2 Å²	143.2	66%	0.657	76%	0.761	S	S	*	*			trans	-110.1	125	166.1	-157	0	0	0	0	108.4	H281	S279-H281 PolarHBondContact O-N 2.65Å
280	P	30.3	Very low	31.7	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	76%	0.757	S	S	*	*	S	Bend	trans	-79	42.4	-162.4	33.7	-37.3	0	0	0	113.5
281	H	30.7	Very low	31.7	Very low	149 Å²	149	140.7 Å²	140.7	69%	0.69	75%	0.746	S	S	*	*	S	Bend	trans	-104.8	-1.8	-163.9	-127.2	-86.7	0	0	0	115.6	S279	S279-H281 PolarHBondContact O-N 2.65Å
282	L	30.6	Very low	32.1	Very low	163 Å²	163	141 Å²	141	85%	0.853	74%	0.736	S	S	*	*	S	Bend	trans	-124.1	1.7	-177.1	-132.9	96.1	0	0	0	115
283	K	35.6	Very low	32.2	Very low	187 Å²	187	136.9 Å²	136.9	81%	0.813	72%	0.718	S	S	*	*	S	Bend	trans	-113.1	-5.1	179.6	-81	-175.1	175.7	-177.4	0	114.7
284	S	33.3	Very low	32.3	Very low	71 Å²	71	133.9 Å²	133.9	50%	0.497	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-5	176.3	72.4	0	0	0	0	114.1
285	M	31.6	Very low	32.5	Very low	164 Å²	164	128.3 Å²	128.3	81%	0.808	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-17.2	-179.1	-133.9	167.3	93.9	0	0	113.8
286	E	36.8	Very low	32.6	Very low	166 Å²	166	133.3 Å²	133.3	78%	0.776	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-29.1	173.3	-102.3	168.8	161.9	0	0	112.8
287	A	35.3	Very low	32.8	Very low	63 Å²	63	135.2 Å²	135.2	52%	0.521	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-10.8	-175	0	0	0	0	0	115
288	L	33.9	Very low	32.7	Very low	125 Å²	125	135.2 Å²	135.2	65%	0.654	71%	0.709	S	S	*	*	H	α-helix	trans	-100.1	-6.9	178	-68.5	172.6	0	0	0	113.6	S292	L288-S292 PolarHBondContact O-OG 2.93Å
289	N	36.7	Very low	32.7	Very low	110 Å²	110	134.2 Å²	134.2	59%	0.588	70%	0.702	S	S	*	*	H	α-helix	trans	-87.2	-15.5	177.5	-151.5	25.1	0	0	0	112.7	L293	N289-L293 WeakPolarHBondContact O-CD1 3.35Å
290	E	36.3	Very low	32.8	Very low	149 Å²	149	140.3 Å²	140.3	70%	0.696	71%	0.712	S	S	*	*	H	α-helix	trans	-92.9	-36.5	175	-82.3	-155.7	141.3	0	0	114	N294	E290-N294 PolarHBondContact O-ND2 2.87Å
291	D	33.5	Very low	32.5	Very low	129 Å²	129	142.6 Å²	142.6	69%	0.69	72%	0.718	S	S	*	*	H	α-helix	trans	-83.8	-18.8	-174.4	-85.7	-17	0	0	0	114.4	T295	D291-T295 PolarHBondContact O-OG1 3.37Å
292	S	35.5	Very low	32.4	Very low	79 Å²	79	144.5 Å²	144.5	55%	0.552	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-8.8	178.1	62.8	0	0	0	0	114.1	L288	L288-S292 PolarHBondContact O-OG 2.93Å
293	L	34.6	Very low	32.3	Very low	112 Å²	112	141.4 Å²	141.4	59%	0.586	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-11.4	179.9	-110	126.4	0	0	0	114	N289	N289-L293 WeakPolarHBondContact O-CD1 3.35Å
294	N	33	Very low	32	Very low	123 Å²	123	137.2 Å²	137.2	66%	0.658	71%	0.713	S	S	*	*	S	Bend	trans	-99.7	-4.7	-178	-77.4	-31.7	0	0	0	115.2	E290	E290-N294 PolarHBondContact O-ND2 2.87Å
295	T	34.1	Very low	31.7	Very low	123 Å²	123	144.4 Å²	144.4	76%	0.755	73%	0.731	S	S	*	*	S	Bend	trans	-107.1	2.3	-177.5	23.3	0	0	0	0	115.3	D291	D291-T295 PolarHBondContact O-OG1 3.37Å
296	R	31.2	Very low	31.6	Very low	236 Å²	236	143.3 Å²	143.3	89%	0.891	73%	0.726	S	S	*	*	S	Bend	trans	-112.5	17.4	-178.5	-148.9	174.9	-166	167.1	4.9	115.2
297	K	31.4	Very low	31.2	Very low	186 Å²	186	140.9 Å²	140.9	81%	0.809	73%	0.725	S	S	*	*			trans	-94.8	17.6	-178.3	-96	-178.7	179.5	172.9	0	115.4
298	Q	28.5	Very low	30.9	Very low	183 Å²	183	143 Å²	143	86%	0.855	74%	0.736	S	S	*	*	S	Bend	trans	-131.5	126.9	173.1	-71.7	-179.3	-3.8	0	0	110.5
299	S	26.1	Very low	30.6	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	74%	0.738	S	S	*	*	S	Bend	trans	81.8	83.1	166.3	-151.2	0	0	0	0	117.1
300	Y	29.4	Very low	30.1	Very low	223 Å²	223	143.8 Å²	143.8	88%	0.875	75%	0.747	S	S	*	*				170	105.1	104.8	-89.8	-71.7	0	0	0	109.3
301	D	25.2	Very low	29.7	Very low	161 Å²	161	142.2 Å²	142.2	86%	0.861	75%	0.748	S	S	*	*			trans	-62.3	125.4	167.1	-68.9	-56.6	0	0	0	111
302	H	28.1	Very low	29.5	Very low	189 Å²	189	144.6 Å²	144.6	88%	0.875	76%	0.755	S	S	*	*				-178.7	138.4	117.1	-124.2	-69.2	0	0	0	111.9
303	S	28.6	Very low	28.8	Very low	99 Å²	99	150.7 Å²	150.7	69%	0.692	77%	0.772	S	S	*	*			trans	85.7	79.9	161.9	-160.3	0	0	0	0	118.2
304	S	28.3	Very low	28.5	Very low	98 Å²	98	151.2 Å²	151.2	69%	0.685	79%	0.785	S	S	*	*				25.3	126.7	120.2	62.2	0	0	0	0	117.6
305	Y	28.6	Very low	28.1	Very low	222 Å²	222	153 Å²	153	87%	0.871	79%	0.793	S	S	*	*			cis	-161	156	48.4	-143.7	-94.7	0	0	0	110.4
306	I	29.1	Very low	27.7	Very low	141 Å²	141	152 Å²	152	72%	0.723	79%	0.792	S	S	*	*			trans	-68.5	150	-160.8	-66.6	166.3	0	0	0	116.1
307	P	28.2	Very low	27.5	Very low	116 Å²	116	146 Å²	146	75%	0.753	78%	0.782	S	S	*	*			trans	-102.8	151.2	170.8	38.4	-29.3	0	0	0	113.3
308	S	28.9	Very low	27.4	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	78%	0.778	S	S	*	*			trans	-167.7	136.1	164.4	44	0	0	0	0	115
309	S	28.2	Very low	27.5	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	78%	0.777	S	S	*	*			trans	58.6	113.4	147.2	63.8	0	0	0	0	118.9
310	I	25	Very low	27.5	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	78%	0.78	S	S	*	*				42.8	100.7	89.4	-52	174.6	0	0	0	111.5
311	T	28.3	Very low	27.5	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	77%	0.774	S	S	*	*				170.5	132.6	123.4	30.1	0	0	0	0	111.5
312	E	28.4	Very low	27.6	Very low	178 Å²	178	137.9 Å²	137.9	83%	0.832	77%	0.767	S	S	*	*			trans	72.3	112.7	138.7	-64.6	-179.9	171	0	0	122
313	F	22.5	Very low	27.6	Very low	208 Å²	208	133.4 Å²	133.4	91%	0.912	76%	0.757	S	S	*	*			trans	-37.6	125.6	149.1	-96.5	-106.3	0	0	0	113.2
314	S	28	Very low	27.7	Very low	122 Å²	122	135.5 Å²	135.5	85%	0.853	76%	0.76	S	S	*	*			trans	-153.6	133.1	140.2	51.7	0	0	0	0	110.3
315	L	23.1	Very low	27.8	Very low	160 Å²	160	138.4 Å²	138.4	84%	0.838	76%	0.762	S	S	*	*			trans	-94.2	134.3	-177.8	-152.2	102.8	0	0	0	108.3
316	S	27	Very low	27.7	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	75%	0.748	S	S	*	*			trans	173.3	106.7	147.5	-78.4	0	0	0	0	108.7
317	T	26.6	Very low	27.7	Very low	111 Å²	111	132.3 Å²	132.3	68%	0.681	75%	0.753	S	S	*	*				51.1	109	106.3	41.9	0	0	0	0	114
318	D	29.3	Very low	27.6	Very low	137 Å²	137	132 Å²	132	73%	0.733	75%	0.753	S	S	*	*				171.4	139.7	95.9	-93.2	-30.9	0	0	0	114.7
319	L	30.6	Very low	27.5	Very low	159 Å²	159	131.4 Å²	131.4	83%	0.832	75%	0.749	S	S	*	*			trans	79.6	124.9	140	-65.6	162.2	0	0	0	122.8
320	C	25.7	Very low	27.4	Very low	106 Å²	106	133.2 Å²	133.2	72%	0.716	75%	0.751	S	S	*	*			trans	-56.8	158.7	174.8	-59.7	0	0	0	0	116.1
321	N	30.1	Very low	27.4	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	75%	0.748	S	S	*	*				-177.4	129.2	106.1	-90.8	-8.4	0	0	0	113.4
322	D	26.7	Very low	27.3	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	75%	0.753	S	S	*	*			trans	51.7	130.8	132.2	-62	-20.3	0	0	0	119.5
323	S	29.4	Very low	27.1	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	76%	0.756	S	S	*	*			cis	172.9	149.7	46.1	25.4	0	0	0	0	111.6
324	L	30.1	Very low	27.3	Very low	143 Å²	143	130.7 Å²	130.7	75%	0.749	75%	0.748	S	S	*	*			trans	69	131.6	144.4	-61.4	158.4	0	0	0	118.1
325	H	29.6	Very low	27.3	Very low	158 Å²	158	134.5 Å²	134.5	73%	0.731	75%	0.745	S	S	*	*			cis	-165	125.6	26.8	-112.1	-66.7	0	0	0	112
326	S	27.9	Very low	27.5	Very low	84 Å²	84	131.9 Å²	131.9	59%	0.587	74%	0.74	S	S	*	*			trans	41.3	119.2	131.1	62.2	0	0	0	0	125.4
327	N	27.8	Very low	27.7	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	73%	0.734	S	S	*	*				112.8	106.3	118.6	-73.4	-6.1	0	0	0	122.2
328	S	26	Very low	28.2	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	74%	0.741	S	S	*	*				75.3	131	123.3	-165.5	0	0	0	0	119.1
329	S	26.9	Very low	28.6	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	74%	0.74	S	S	*	*			cis	-167.4	151.9	-3.1	-92.8	0	0	0	0	109.3
330	N	27.4	Very low	29.2	Very low	137 Å²	137	129.6 Å²	129.6	73%	0.733	73%	0.733	S	S	*	*			trans	119.5	83.4	149.8	-67.4	-16.6	0	0	0	118.5
331	N	24.9	Very low	30	Very low	135 Å²	135	126.6 Å²	126.6	72%	0.722	71%	0.709	S	S	*	*				65.3	97.2	122.6	-62.1	-9.6	0	0	0	118.8
332	N	25.7	Very low	30.9	Very low	155 Å²	155	124.3 Å²	124.3	83%	0.829	70%	0.7	S	S	*	*				176.7	81.8	122.6	-82.1	-23.8	0	0	0	109.5
333	N	24.8	Very low	31.7	Very low	167 Å²	167	121.6 Å²	121.6	89%	0.893	69%	0.692	S	S	*	*			trans	-159	101.3	165.7	-89.4	-28.6	0	0	0	108.7
334	I	26.3	Very low	32.5	Very low	145 Å²	145	121.8 Å²	121.8	74%	0.744	69%	0.686	S	S	*	*			trans	-136.8	132.7	169.7	-47.2	-177.7	0	0	0	108.7
335	Y	28	Very low	33.5	Very low	203 Å²	203	119.8 Å²	119.8	80%	0.796	67%	0.672	S	S	*	*			trans	93.9	77.9	173.7	-61.1	-71.4	0	0	0	117.8
336	S	25.8	Very low	34.4	Very low	104 Å²	104	115.8 Å²	115.8	73%	0.727	66%	0.655	S	S	*	*			trans	-49.1	124.8	139.4	-163.1	0	0	0	0	108.9
337	A	32.1	Very low	35.3	Very low	72 Å²	72	118.4 Å²	118.4	60%	0.595	65%	0.652	S	S	*	*			trans	-127.5	60.9	-173.4	0	0	0	0	0	111.1
338	N	36.4	Very low	36.5	Very low	153 Å²	153	115.3 Å²	115.3	82%	0.818	64%	0.639	S	S	*	*			trans	-108.4	20.5	159.9	-76.2	-20.4	0	0	0	111.1	P340	N338-P340 WeakPolarHBondContact O-CD 3.2Å
339	D	38.1	Very low	37.5	Very low	133 Å²	133	113.8 Å²	113.8	71%	0.711	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-77.8	121.6	-177.9	-72.9	-20.5	0	0	0	111
340	P	42.6	Very low	38.3	Very low	105 Å²	105	112.6 Å²	112.6	68%	0.682	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-60.1	158.3	169.9	24.9	-31.2	0	0	0	110.5	N338 T342	N338-P340 WeakPolarHBondContact O-CD 3.2Å; P340-T342 PolarHBondContact O-N 3.38Å
341	L	43.8	Very low	38.9	Very low	43 Å²	43	109.5 Å²	109.5	23%	0.225	59%	0.594	C	S	.	*	P	Polyproline II helix	trans	-53.5	117.9	179.5	-138.9	78.4	0	0	0	107.9	S343 Q345 I346 L399 R403	L341-S343 PolarHBondContact O-N 3.1Å; L341-Q345 HydrophobicContact CD2-CB 3.97Å; L341-Q345 HydrophobicContact CG-CB 3.85Å; L341-Q345 VanDerWaalsContact CG-OE1 3.23Å; L341-I346 HydrophobicContact CD2-CG1 3.72Å; L341-L399 HydrophobicContact CD2-CD1 4.32Å; L341-L399 HydrophobicContact CD2-CD2 4.24Å; L341-R403 VanDerWaalsContact CB-NH2 3.32Å; L341-R403 VanDerWaalsContact CD1-NH2 3.26Å
342	T	48.7	Very low	40.2	Very low	89 Å²	89	111.8 Å²	111.8	55%	0.546	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-58.1	139.4	175.5	13.4	0	0	0	0	108.7	P340 D344 Q345	P340-T342 PolarHBondContact O-N 3.38Å; T342-D344 PolarHBondContact O-N 2.69Å; T342-Q345 PolarHBondContact O-N 3.04Å
343	S	42.5	Very low	41.1	Very low	78 Å²	78	106.6 Å²	106.6	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-48.5	-27	177.9	-177.8	0	0	0	0	112.9	L341 I346 R347	L341-S343 PolarHBondContact O-N 3.1Å; S343-I346 PolarHBondContact O-N 3.11Å; S343-R347 WeakPolarHBondContact O-CB 3.42Å; S343-R347 PolarHBondContact O-N 3.1Å
344	D	46.2	Very low	41.9	Very low	99 Å²	99	103.6 Å²	103.6	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-67.3	-36.3	175.3	-85.9	-4.2	0	0	0	114.1	T342 I346 R347 T348	T342-D344 PolarHBondContact O-N 2.69Å; D344-I346 VanDerWaalsContact C-N 3.33Å; D344-R347 PolarHBondContact O-N 3.14Å; D344-R347 IonicContact OD1-CZ 3.4Å; D344-R347 IonicContact OD1-NH1 3.64Å; D344-R347 PolarHBondContact OD1-NH1 3.4Å; D344-T348 WeakPolarHBondContact O-CB 3.38Å; D344-T348 PolarHBondContact O-N 3.26Å; D344-T348 PolarHBondContact O-OG1 3.35Å
345	Q	50.9	Low	42.4	Very low	101 Å²	101	103.1 Å²	103.1	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-68.2	-35.9	176	-68	-169.9	-2.1	0	0	111.4	L341 T342 L349	L341-Q345 HydrophobicContact CD2-CB 3.97Å; L341-Q345 HydrophobicContact CG-CB 3.85Å; L341-Q345 VanDerWaalsContact CG-OE1 3.23Å; T342-Q345 PolarHBondContact O-N 3.04Å; Q345-L349 WeakPolarHBondContact O-CG 3.3Å; Q345-L349 PolarHBondContact O-N 3.43Å
346	I	50.4	Low	43	Very low	73 Å²	73	99 Å²	99	37%	0.374	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-50.6	174.1	-58.1	177.6	0	0	0	109.6	L341 S343 D344 T348 L349 Q350	L341-I346 HydrophobicContact CD2-CG1 3.72Å; S343-I346 PolarHBondContact O-N 3.11Å; D344-I346 VanDerWaalsContact C-N 3.33Å; I346-T348 VanDerWaalsContact C-N 3.31Å; I346-T348 PolarHBondContact O-N 2.93Å; I346-L349 PolarHBondContact O-N 3.4Å; I346-Q350 HydrophobicContact CG2-CG 4.39Å; I346-Q350 VanDerWaalsContact O-CG 3.29Å; I346-Q350 WeakPolarHBondContact O-CG 3.45Å; I346-Q350 PolarHBondContact O-N 2.94Å
347	R	45.5	Very low	43.7	Very low	139 Å²	139	100.4 Å²	100.4	53%	0.525	54%	0.535	S	S	.	.	H	α-helix	trans	-59.8	-40.2	-179.7	-163.6	-174.3	-66.9	153	-2	112.4	S343 D344 L349 Q350 C351	S343-R347 WeakPolarHBondContact O-CB 3.42Å; S343-R347 PolarHBondContact O-N 3.1Å; D344-R347 PolarHBondContact O-N 3.14Å; D344-R347 IonicContact OD1-CZ 3.4Å; D344-R347 IonicContact OD1-NH1 3.64Å; D344-R347 PolarHBondContact OD1-NH1 3.4Å; R347-L349 VanDerWaalsContact C-N 3.35Å; R347-L349 PolarHBondContact O-N 3.41Å; R347-Q350 PolarHBondContact O-N 2.99Å; R347-C351 PolarHBondContact O-N 3.23Å; R347-C351 PolarHBondContact O-SG 3.37Å; R347-C351 VanDerWaalsContact O-SG 3.37Å
348	T	54.1	Low	44.1	Very low	87 Å²	87	106.1 Å²	106.1	53%	0.534	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-36.7	-180	-54.6	0	0	0	0	112.3	D344 I346 R352	D344-T348 WeakPolarHBondContact O-CB 3.38Å; D344-T348 PolarHBondContact O-N 3.26Å; D344-T348 PolarHBondContact O-OG1 3.35Å; I346-T348 VanDerWaalsContact C-N 3.31Å; I346-T348 PolarHBondContact O-N 2.93Å; T348-R352 PolarHBondContact O-N 3.25Å
349	L	46.1	Very low	44.1	Very low	78 Å²	78	101.8 Å²	101.8	41%	0.408	54%	0.538	S	S	.	.	H	α-helix	trans	-75.5	-36.2	176.7	-72.3	167.8	0	0	0	112.3	Q345 I346 R347 R352 K353 L399	Q345-L349 WeakPolarHBondContact O-CG 3.3Å; Q345-L349 PolarHBondContact O-N 3.43Å; I346-L349 PolarHBondContact O-N 3.4Å; R347-L349 VanDerWaalsContact C-N 3.35Å; R347-L349 PolarHBondContact O-N 3.41Å; L349-R352 PolarHBondContact O-N 2.75Å; L349-K353 PolarHBondContact O-N 3.45Å; L349-L399 HydrophobicContact CD1-CD1 4.35Å; L349-L399 HydrophobicContact CD1-CD2 3.43Å; L349-L399 VanDerWaalsContact CD1-CD2 3.43Å; L349-L399 HydrophobicContact CD1-CG 4.2Å
350	Q	44.6	Very low	43.9	Very low	68 Å²	68	105.6 Å²	105.6	32%	0.318	54%	0.542	S	S	.	.	H	α-helix	trans	-61.9	-47.2	174.7	-69.8	176.9	-40.1	0	0	111.6	I346 R347 R352 I354 W392	I346-Q350 HydrophobicContact CG2-CG 4.39Å; I346-Q350 VanDerWaalsContact O-CG 3.29Å; I346-Q350 WeakPolarHBondContact O-CG 3.45Å; I346-Q350 PolarHBondContact O-N 2.94Å; R347-Q350 PolarHBondContact O-N 2.99Å; Q350-R352 PolarHBondContact O-N 3.09Å; Q350-I354 HydrophobicContact CB-CD1 4.46Å; Q350-I354 WeakPolarHBondContact O-CB 3.43Å; Q350-I354 WeakPolarHBondContact O-CD1 3.41Å; Q350-I354 WeakPolarHBondContact O-CG1 3.24Å; Q350-I354 PolarHBondContact O-N 3.05Å; Q350-I354 VanDerWaalsContact O-N 3.13Å; Q350-W392 HydrophobicContact CG-CH2 3.62Å; Q350-W392 HydrophobicContact CG-CZ3 3.81Å
351	C	39.5	Very low	43.3	Very low	72 Å²	72	107.8 Å²	107.8	49%	0.486	55%	0.548	S	S	.	.	H	α-helix	trans	-65.1	-34.6	-179.7	-67.6	0	0	0	0	113.5	R347 L355	R347-C351 PolarHBondContact O-N 3.23Å; R347-C351 PolarHBondContact O-SG 3.37Å; R347-C351 VanDerWaalsContact O-SG 3.37Å; C351-L355 PolarHBondContact O-N 3.28Å
352	R	51.4	Low	42.6	Very low	183 Å²	183	117.6 Å²	117.6	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-74	-31	-177.5	-124.9	177.1	-173.7	172.6	1.2	113.7	T348 L349 Q350 N356	T348-R352 PolarHBondContact O-N 3.25Å; L349-R352 PolarHBondContact O-N 2.75Å; Q350-R352 PolarHBondContact O-N 3.09Å; R352-N356 PolarHBondContact O-ND2 3.09Å; R352-N356 VanDerWaalsContact O-ND2 3.15Å
353	K	44.8	Very low	41.7	Very low	46 Å²	46	116.2 Å²	116.2	20%	0.2	59%	0.588	C	S	.	*	H	α-helix	trans	-87.6	-36.1	178.8	-105.6	172.5	172.6	176.3	0	112.3	L349 N356 L357 V395 E398	L349-K353 PolarHBondContact O-N 3.45Å; K353-N356 PolarHBondContact O-N 3.46Å; K353-L357 PolarHBondContact O-N 3.05Å; K353-V395 HydrophobicContact CD-CG2 4.1Å; K353-E398 IonicContact NZ-OE1 2.96Å; K353-E398 PolarHBondContact NZ-OE1 2.97Å; K353-E398 IonicContact NZ-OE2 3.62Å; K353-E398 PolarHBondContact NZ-OE2 3.33Å
354	I	42.1	Very low	41	Very low	104 Å²	104	120.3 Å²	120.3	53%	0.533	60%	0.603	S	S	.	*	H	α-helix	trans	-66.7	-37.7	178.5	-66.4	168.7	0	0	0	112.3	Q350 N356 L357 K358	Q350-I354 HydrophobicContact CB-CD1 4.46Å; Q350-I354 WeakPolarHBondContact O-CB 3.43Å; Q350-I354 WeakPolarHBondContact O-CD1 3.41Å; Q350-I354 WeakPolarHBondContact O-CG1 3.24Å; Q350-I354 PolarHBondContact O-N 3.05Å; Q350-I354 VanDerWaalsContact O-N 3.13Å; I354-N356 VanDerWaalsContact C-N 3.26Å; I354-N356 PolarHBondContact O-N 3.4Å; I354-L357 PolarHBondContact O-N 3.48Å; I354-K358 PolarHBondContact O-N 2.7Å
355	L	37.1	Very low	40.4	Very low	135 Å²	135	124.9 Å²	124.9	71%	0.707	62%	0.621	S	S	*	*	H	α-helix	trans	-66.4	-25.2	175.6	-81.3	165.2	0	0	0	113.3	C351	C351-L355 PolarHBondContact O-N 3.28Å
356	N	40.2	Very low	39.3	Very low	118 Å²	118	130.3 Å²	130.3	63%	0.631	64%	0.644	S	S	*	*	H	α-helix	trans	-79	-18.7	175.4	-91.3	-63	0	0	0	113.6	R352 K353 I354	R352-N356 PolarHBondContact O-ND2 3.09Å; R352-N356 VanDerWaalsContact O-ND2 3.15Å; K353-N356 PolarHBondContact O-N 3.46Å; I354-N356 VanDerWaalsContact C-N 3.26Å; I354-N356 PolarHBondContact O-N 3.4Å
357	L	40.5	Very low	38.4	Very low	133 Å²	133	132.6 Å²	132.6	70%	0.696	67%	0.665	S	S	*	*	H	α-helix	trans	-91.7	-23.1	177.9	-80.2	151.9	0	0	0	112.9	K353 I354	K353-L357 PolarHBondContact O-N 3.05Å; I354-L357 PolarHBondContact O-N 3.48Å
358	K	40.6	Very low	37.6	Very low	191 Å²	191	131.2 Å²	131.2	83%	0.83	68%	0.677	S	S	*	*	S	Bend	trans	-94	-6.1	-180	-149.5	92.1	178.1	-175.2	0	114	I354	I354-K358 PolarHBondContact O-N 2.7Å
359	G	35.3	Very low	36.4	Very low	63 Å²	63	132 Å²	132	65%	0.649	69%	0.686	S	S	*	*	S	Bend	trans	-104.6	12.5	-169	0	0	0	0	0	117.2
360	R	35	Very low	35.6	Very low	212 Å²	212	136 Å²	136	80%	0.8	71%	0.705	S	S	*	*	S	Bend	trans	-128.5	75.7	-178.6	-88	-177.1	168.6	141.2	-3.6	111.6
361	N	30.5	Very low	35.1	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	72%	0.721	S	S	*	*			trans	162.5	103.9	150.8	-93.1	-30.5	0	0	0	108
362	Y	28.7	Very low	34.5	Very low	249 Å²	249	141.2 Å²	141.2	98%	0.976	74%	0.741	S	S	*	*			trans	176	94.2	143.5	-90.8	-64.4	0	0	0	106.7
363	G	28.6	Very low	33.4	Very low	60 Å²	60	137.6 Å²	137.6	62%	0.619	74%	0.744	S	S	*	*			trans	-161.3	104	175.3	0	0	0	0	0	108.7
364	N	29.5	Very low	32.8	Very low	163 Å²	163	146.3 Å²	146.3	87%	0.872	78%	0.775	S	S	*	*			trans	88.7	95.9	154.6	-41.1	-14	0	0	0	116.1
365	E	32.8	Very low	32.5	Very low	195 Å²	195	149.4 Å²	149.4	91%	0.911	79%	0.793	S	S	*	*				-170.9	114	120.1	-102	174.4	-167.3	0	0	110.6
366	F	27.2	Very low	32.2	Very low	216 Å²	216	147.8 Å²	147.8	95%	0.947	79%	0.79	S	S	*	*			trans	-77.2	117.8	165.9	-118.2	-97.4	0	0	0	107.3
367	C	31.5	Very low	31.8	Very low	120 Å²	120	147.4 Å²	147.4	81%	0.811	80%	0.796	S	S	*	*			trans	-155.9	102.1	158	-133.2	0	0	0	0	112.3
368	S	29.5	Very low	31.4	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	81%	0.806	S	S	*	*			trans	38.1	125.3	139.1	-53.2	0	0	0	0	122.2
369	S	28.7	Very low	30.9	Very low	103 Å²	103	148 Å²	148	72%	0.72	80%	0.801	S	S	*	*			trans	-41.7	141.1	161.5	46.9	0	0	0	0	117.1
370	I	30.3	Very low	30.8	Very low	161 Å²	161	154.8 Å²	154.8	83%	0.826	81%	0.808	S	S	*	*				154.1	139.3	126.5	-79.9	162.4	0	0	0	111
371	A	32.5	Very low	31	Very low	78 Å²	78	151.3 Å²	151.3	65%	0.645	80%	0.801	S	S	*	*			trans	81.5	104.6	157.8	0	0	0	0	0	119.9
372	L	28.3	Very low	31.2	Very low	172 Å²	172	152.4 Å²	152.4	90%	0.901	81%	0.806	S	S	*	*				32.3	134.7	122.6	-88.8	109	0	0	0	119.5
373	S	28.5	Very low	32	Very low	108 Å²	108	144 Å²	144	76%	0.755	78%	0.778	S	S	*	*			trans	82	79	149	-177.3	0	0	0	0	117
374	R	30.9	Very low	33.3	Very low	229 Å²	229	149.1 Å²	149.1	86%	0.864	79%	0.786	S	S	*	*				179.1	126	121.4	-107.1	171.7	176.9	152.1	-0.9	109.5	P376	R374-P376 VanDerWaalsContact O-CD 3.26Å; R374-P376 WeakPolarHBondContact O-CD 3.39Å
375	N	35.9	Very low	34.8	Very low	168 Å²	168	145.8 Å²	145.8	90%	0.898	77%	0.773	S	S	*	*			trans	-60.6	131.2	149.9	-109.3	-48	0	0	0	107.7
376	P	31.1	Very low	36.3	Very low	101 Å²	101	141.4 Å²	141.4	66%	0.656	75%	0.752	S	S	*	*				-140.7	152.7	129.4	36.8	-22.6	0	0	0	112.8	R374	R374-P376 VanDerWaalsContact O-CD 3.26Å; R374-P376 WeakPolarHBondContact O-CD 3.39Å
377	C	31.8	Very low	38.2	Very low	110 Å²	110	139.3 Å²	139.3	74%	0.743	74%	0.739	S	S	*	*			trans	96.4	63.2	159.2	-52.9	0	0	0	0	118	K379	C377-K379 PolarHBondContact O-N 3.4Å
378	N	32.8	Very low	40.1	Very low	170 Å²	170	139.5 Å²	139.5	91%	0.909	73%	0.728	S	S	*	*			trans	-66.4	99.5	131.8	-156.4	4.7	0	0	0	108.2
379	K	29.9	Very low	42.4	Very low	168 Å²	168	138.6 Å²	138.6	73%	0.73	71%	0.714	S	S	*	*			trans	-179.7	151.7	162.7	-111.6	170.3	178.8	175.9	0	110	C377	C377-K379 PolarHBondContact O-N 3.4Å
380	Y	32.4	Very low	44.7	Very low	204 Å²	204	136 Å²	136	80%	0.8	69%	0.69	S	S	*	*			trans	84.6	121.2	-178.7	-43.3	-72.5	0	0	0	114.6
381	H	40.4	Very low	46.6	Very low	139 Å²	139	131.1 Å²	131.1	64%	0.644	66%	0.663	S	S	*	*			cis	-159.1	134.2	-6	-147.2	-103	0	0	0	108	D383	H381-D383 VanDerWaalsContact C-N 3.26Å; H381-D383 IonicContact CE1-OD2 2.7Å; H381-D383 PolarHBondContact CE1-OD2 2.93Å; H381-D383 IonicContact CG-OD2 3.51Å; H381-D383 IonicContact ND1-OD2 3.53Å; H381-D383 PolarHBondContact ND1-OD2 2.99Å; H381-D383 PolarHBondContact O-N 3.41Å
382	L	34.5	Very low	48.6	Very low	176 Å²	176	131.9 Å²	131.9	92%	0.921	65%	0.65	S	S	*	*	S	Bend	trans	-81.2	57.6	-174.4	-151.4	88.1	0	0	0	110.3
383	D	45.6	Very low	51.2	Low	73 Å²	73	125.1 Å²	125.1	39%	0.39	61%	0.614	S	S	.	*			trans	-142.8	15.8	-173.2	-77.7	-39.3	0	0	0	115.6	H381	H381-D383 VanDerWaalsContact C-N 3.26Å; H381-D383 IonicContact CE1-OD2 2.7Å; H381-D383 PolarHBondContact CE1-OD2 2.93Å; H381-D383 IonicContact CG-OD2 3.51Å; H381-D383 IonicContact ND1-OD2 3.53Å; H381-D383 PolarHBondContact ND1-OD2 2.99Å; H381-D383 PolarHBondContact O-N 3.41Å
384	E	54.3	Low	53.4	Low	166 Å²	166	120.3 Å²	120.3	78%	0.776	58%	0.58	S	S	*	*	H	α-helix	trans	-66.6	-36.1	-172.2	-137.2	152.1	-173.5	0	0	116.9	H386	E384-H386 PolarHBondContact O-N 3.13Å
385	P	61.4	Low	55.3	Low	93 Å²	93	110.3 Å²	110.3	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-73.7	-23.9	-177.3	27.4	-33.3	0	0	0	113.9	L389	P385-L389 PolarHBondContact O-N 2.83Å
386	H	63.9	Low	57.4	Low	103 Å²	103	105.6 Å²	105.6	48%	0.477	52%	0.521	S	S	.	.	H	α-helix	trans	-72.1	-37.1	-177.3	-80	-85.4	0	0	0	112.6	E384 K390	E384-H386 PolarHBondContact O-N 3.13Å; H386-K390 PolarHBondContact O-N 3.08Å; H386-K390 VanDerWaalsContact O-N 3.12Å
387	Y	68.2	Low	59.6	Low	173 Å²	173	101.9 Å²	101.9	68%	0.678	50%	0.495	S	S	*	.	H	α-helix	trans	-70.5	-39.3	177.9	-84.4	-87.5	0	0	0	112.8	K390 H391	Y387-K390 PolarHBondContact O-N 3.3Å; Y387-H391 PolarHBondContact O-N 2.89Å
388	E	72.1	Confident	61.4	Low	123 Å²	123	97.7 Å²	97.7	58%	0.575	46%	0.464	S	S	*	.	H	α-helix	trans	-64.6	-45.8	178	-168.9	176.1	-177.3	0	0	110.9	K390 H391 W392	E388-K390 PolarHBondContact O-N 3Å; E388-H391 WeakPolarHBondContact O-CB 3.22Å; E388-H391 PolarHBondContact O-N 3.38Å; E388-W392 PolarHBondContact O-N 3.46Å; E388-W392 VanDerWaalsContact O-N 3.09Å
389	L	78	Confident	63.3	Low	93 Å²	93	91.7 Å²	91.7	49%	0.487	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-46.1	175.8	179.7	62.8	0	0	0	112.1	P385 H391 W392 L393	P385-L389 PolarHBondContact O-N 2.83Å; L389-H391 VanDerWaalsContact C-N 3.27Å; L389-H391 PolarHBondContact O-N 3.17Å; L389-W392 PolarHBondContact O-N 2.94Å; L389-L393 HydrophobicContact CD1-CD1 4.13Å; L389-L393 HydrophobicContact CD1-CG 4.23Å; L389-L393 HydrophobicContact CG-CD1 3.91Å; L389-L393 HydrophobicContact CG-CG 4.45Å; L389-L393 WeakPolarHBondContact O-CB 3.4Å; L389-L393 WeakPolarHBondContact O-CG 3.01Å; L389-L393 PolarHBondContact O-N 3.45Å
390	K	76.3	Confident	65.6	Low	49 Å²	49	85.6 Å²	85.6	21%	0.213	41%	0.406	C	S	.	.	H	α-helix	trans	-55.7	-44.3	176.3	-172.4	-163.5	179.6	-163.9	0	111	H386 Y387 E388 L393 Q394 H481 D486	H386-K390 PolarHBondContact O-N 3.08Å; H386-K390 VanDerWaalsContact O-N 3.12Å; Y387-K390 PolarHBondContact O-N 3.3Å; E388-K390 PolarHBondContact O-N 3Å; K390-L393 PolarHBondContact O-N 2.89Å; K390-Q394 WeakPolarHBondContact O-CB 3.3Å; K390-Q394 PolarHBondContact O-N 2.94Å; K390-H481 HydrophobicContact CD-CB 4.46Å; K390-H481 HydrophobicContact CG-CB 4.15Å; K390-D486 IonicContact NZ-OD2 3.73Å; K390-D486 PolarHBondContact NZ-OD2 3.45Å; K390-D486 VanDerWaalsContact NZ-OD2 3.15Å
391	H	69.1	Low	67.7	Low	57 Å²	57	76.8 Å²	76.8	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-47.1	179.9	-173.6	74.3	0	0	0	112.5	Y387 E388 L389 L393 Q394 V395	Y387-H391 PolarHBondContact O-N 2.89Å; E388-H391 WeakPolarHBondContact O-CB 3.22Å; E388-H391 PolarHBondContact O-N 3.38Å; L389-H391 VanDerWaalsContact C-N 3.27Å; L389-H391 PolarHBondContact O-N 3.17Å; H391-L393 VanDerWaalsContact C-N 3.34Å; H391-L393 PolarHBondContact O-N 3.4Å; H391-Q394 PolarHBondContact O-N 3.41Å; H391-V395 VanDerWaalsContact O-CG2 3.27Å; H391-V395 WeakPolarHBondContact O-CG2 3.13Å; H391-V395 PolarHBondContact O-N 2.99Å
392	W	76.4	Confident	69.2	Low	95 Å²	95	73.8 Å²	73.8	36%	0.36	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-37.9	177.6	-73	113.1	0	0	0	112.7	Q350 E388 L389 V395 T396	Q350-W392 HydrophobicContact CG-CH2 3.62Å; Q350-W392 HydrophobicContact CG-CZ3 3.81Å; E388-W392 PolarHBondContact O-N 3.46Å; E388-W392 VanDerWaalsContact O-N 3.09Å; L389-W392 PolarHBondContact O-N 2.94Å; W392-V395 PolarHBondContact O-N 2.89Å; W392-T396 WeakPolarHBondContact O-CB 3.33Å; W392-T396 PolarHBondContact O-N 2.87Å; W392-T396 PolarHBondContact O-OG1 3.16Å
393	L	81.7	Confident	71.2	Confident	30 Å²	30	70.7 Å²	70.7	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-41.7	174.5	-73.8	170.9	0	0	0	111.7	L389 K390 H391 T396 Y397 W472 I475 T479 I483	L389-L393 HydrophobicContact CD1-CD1 4.13Å; L389-L393 HydrophobicContact CD1-CG 4.23Å; L389-L393 HydrophobicContact CG-CD1 3.91Å; L389-L393 HydrophobicContact CG-CG 4.45Å; L389-L393 WeakPolarHBondContact O-CB 3.4Å; L389-L393 WeakPolarHBondContact O-CG 3.01Å; L389-L393 PolarHBondContact O-N 3.45Å; K390-L393 PolarHBondContact O-N 2.89Å; H391-L393 VanDerWaalsContact C-N 3.34Å; H391-L393 PolarHBondContact O-N 3.4Å; L393-T396 WeakPolarHBondContact O-CB 3.36Å; L393-T396 PolarHBondContact O-N 2.65Å; L393-Y397 PolarHBondContact O-N 3.2Å; L393-W472 HydrophobicContact CD2-CZ3 4.43Å; L393-W472 VanDerWaalsContact O-CH2 3.31Å; L393-W472 WeakPolarHBondContact O-CH2 3.26Å; L393-I475 HydrophobicContact CD1-CG2 4.17Å; L393-I475 HydrophobicContact CD2-CG2 4Å; L393-T479 HydrophobicContact CD1-CG2 3.75Å; L393-I483 HydrophobicContact CB-CD1 3.98Å; L393-I483 HydrophobicContact CB-CG1 4.47Å; L393-I483 HydrophobicContact CD1-CD1 4.03Å
394	Q	74	Confident	72.6	Confident	7 Å²	7	68.4 Å²	68.4	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-44.4	174.9	-173.2	179.8	-10.5	0	0	111.9	K390 H391 T396 Y397 E398 I487	K390-Q394 WeakPolarHBondContact O-CB 3.3Å; K390-Q394 PolarHBondContact O-N 2.94Å; H391-Q394 PolarHBondContact O-N 3.41Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-T396 PolarHBondContact O-N 2.95Å; Q394-Y397 PolarHBondContact O-N 3.38Å; Q394-E398 WeakPolarHBondContact O-CG 3.48Å; Q394-E398 PolarHBondContact O-N 3.47Å; Q394-I487 HydrophobicContact CG-CG1 4.39Å
395	V	71	Confident	73.6	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-39.2	175.7	175.9	0	0	0	0	111.2	K353 H391 W392 E398 L399	K353-V395 HydrophobicContact CD-CG2 4.1Å; H391-V395 VanDerWaalsContact O-CG2 3.27Å; H391-V395 WeakPolarHBondContact O-CG2 3.13Å; H391-V395 PolarHBondContact O-N 2.99Å; W392-V395 PolarHBondContact O-N 2.89Å; V395-E398 PolarHBondContact O-N 3.03Å; V395-L399 HydrophobicContact CG1-CD1 4.23Å; V395-L399 WeakPolarHBondContact O-CB 3.4Å; V395-L399 WeakPolarHBondContact O-CG 3.45Å; V395-L399 PolarHBondContact O-N 2.66Å
396	T	81.2	Confident	74.3	Confident	68 Å²	68	59.9 Å²	59.9	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.3	-58.2	0	0	0	0	111.3	W392 L393 Q394 L399 E400 W472	W392-T396 WeakPolarHBondContact O-CB 3.33Å; W392-T396 PolarHBondContact O-N 2.87Å; W392-T396 PolarHBondContact O-OG1 3.16Å; L393-T396 WeakPolarHBondContact O-CB 3.36Å; L393-T396 PolarHBondContact O-N 2.65Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-T396 PolarHBondContact O-N 2.95Å; T396-L399 PolarHBondContact O-N 3.36Å; T396-E400 WeakPolarHBondContact O-CB 3.29Å; T396-E400 PolarHBondContact O-N 2.79Å; T396-W472 HydrophobicContact CG2-CH2 4.02Å; T396-W472 HydrophobicContact CG2-CZ2 4.14Å
397	Y	76	Confident	75.1	Confident	24 Å²	24	59.5 Å²	59.5	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-44.2	174.4	-179	-83.7	0	0	0	111.9	L393 Q394 L399 E400 L401 R468 W472 I483 H484 I487	L393-Y397 PolarHBondContact O-N 3.2Å; Q394-Y397 PolarHBondContact O-N 3.38Å; Y397-L399 PolarHBondContact O-N 2.88Å; Y397-E400 PolarHBondContact O-N 3.48Å; Y397-L401 HydrophobicContact CE1-CD2 4.33Å; Y397-L401 VanDerWaalsContact O-CB 3.29Å; Y397-L401 WeakPolarHBondContact O-CB 3.32Å; Y397-L401 PolarHBondContact O-N 3.32Å; Y397-R468 PolarHBondContact OH-NH2 3.4Å; Y397-W472 AromaticContact CD2-CD1 3.89Å; Y397-W472 AromaticContact CD2-CD2 3.51Å; Y397-W472 HydrophobicContact CD2-CD2 3.51Å; Y397-W472 AromaticContact CD2-CE2 3.53Å; Y397-W472 AromaticContact CD2-CE3 3.97Å; Y397-W472 HydrophobicContact CD2-CE3 3.97Å; Y397-W472 AromaticContact CD2-CG 3.76Å; Y397-W472 HydrophobicContact CD2-CG 3.76Å; Y397-W472 HydrophobicContact CD2-CH2 4.45Å; Y397-W472 HydrophobicContact CD2-CZ2 4.04Å; Y397-W472 HydrophobicContact CD2-CZ3 4.41Å; Y397-W472 AromaticContact CD2-NE1 3.76Å; Y397-W472 HydrophobicContact CE2-CD2 4.3Å; Y397-W472 HydrophobicContact CE2-CG 4.08Å; Y397-W472 HydrophobicContact CG-CD2 4.44Å; Y397-W472 HydrophobicContact CG-CZ2 4.29Å; Y397-I483 HydrophobicContact CG-CG2 4.43Å; Y397-H484 AromaticContact CE2-CE1 3.5Å; Y397-H484 AromaticContact CE2-NE2 3.47Å; Y397-H484 WeakPolarHBondContact CE2-NE2 3.39Å; Y397-H484 AromaticContact CZ-CE1 3.58Å; Y397-H484 AromaticContact CZ-ND1 3.81Å; Y397-H484 PolarHBondContact OH-CE1 3.35Å; Y397-H484 PolarHBondContact OH-ND1 3.17Å; Y397-I487 HydrophobicContact CD1-CD1 3.13Å; Y397-I487 HydrophobicContact CE1-CD1 3.32Å; Y397-I487 HydrophobicContact CG-CD1 4.25Å
398	E	71.3	Confident	75.6	Confident	22 Å²	22	52.2 Å²	52.2	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-42.3	177.8	-75.1	173.1	-177.2	0	0	112.2	K353 Q394 V395 K402 I487	K353-E398 IonicContact NZ-OE1 2.96Å; K353-E398 PolarHBondContact NZ-OE1 2.97Å; K353-E398 IonicContact NZ-OE2 3.62Å; K353-E398 PolarHBondContact NZ-OE2 3.33Å; Q394-E398 WeakPolarHBondContact O-CG 3.48Å; Q394-E398 PolarHBondContact O-N 3.47Å; V395-E398 PolarHBondContact O-N 3.03Å; E398-K402 PolarHBondContact O-N 3.3Å; E398-K402 VanDerWaalsContact O-N 3.08Å; E398-I487 HydrophobicContact CG-CD1 3.95Å; E398-I487 HydrophobicContact CG-CG1 4.19Å
399	L	72.7	Confident	75.8	Confident	44 Å²	44	51.5 Å²	51.5	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-43.9	176.6	-81.2	174.9	0	0	0	112.1	L341 L349 V395 T396 Y397 K402 R403	L341-L399 HydrophobicContact CD2-CD1 4.32Å; L341-L399 HydrophobicContact CD2-CD2 4.24Å; L349-L399 HydrophobicContact CD1-CD1 4.35Å; L349-L399 HydrophobicContact CD1-CD2 3.43Å; L349-L399 VanDerWaalsContact CD1-CD2 3.43Å; L349-L399 HydrophobicContact CD1-CG 4.2Å; V395-L399 HydrophobicContact CG1-CD1 4.23Å; V395-L399 WeakPolarHBondContact O-CB 3.4Å; V395-L399 WeakPolarHBondContact O-CG 3.45Å; V395-L399 PolarHBondContact O-N 2.66Å; T396-L399 PolarHBondContact O-N 3.36Å; Y397-L399 PolarHBondContact O-N 2.88Å; L399-K402 WeakPolarHBondContact O-CB 3.24Å; L399-K402 PolarHBondContact O-N 3.02Å; L399-R403 PolarHBondContact O-N 3.36Å; L399-R403 VanDerWaalsContact O-N 3.12Å
400	E	77.9	Confident	76.1	Confident	40 Å²	40	52.9 Å²	52.9	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-41.1	178.5	-162.2	-169.3	138	0	0	111.7	T396 Y397 K402 R403 Y404 R468 R471 W472	T396-E400 WeakPolarHBondContact O-CB 3.29Å; T396-E400 PolarHBondContact O-N 2.79Å; Y397-E400 PolarHBondContact O-N 3.48Å; E400-K402 VanDerWaalsContact C-N 3.28Å; E400-K402 PolarHBondContact O-N 3.41Å; E400-R403 PolarHBondContact O-N 3.38Å; E400-Y404 WeakPolarHBondContact O-CB 3.26Å; E400-Y404 PolarHBondContact O-N 2.86Å; E400-R468 VanDerWaalsContact OE1-CD 3.24Å; E400-R468 WeakPolarHBondContact OE1-CD 3.26Å; E400-R468 WeakPolarHBondContact OE1-CG 3.35Å; E400-R468 IonicContact OE1-NE 3.81Å; E400-R471 IonicContact OE1-CZ 3.28Å; E400-R471 IonicContact OE1-NH1 3.97Å; E400-R471 IonicContact OE1-NH2 3.71Å; E400-R471 PolarHBondContact OE1-NH2 3.25Å; E400-R471 IonicContact OE2-CZ 2.78Å; E400-R471 IonicContact OE2-NH1 2.68Å; E400-R471 PolarHBondContact OE2-NH1 3.31Å; E400-R471 IonicContact OE2-NH2 3.43Å; E400-R471 PolarHBondContact OE2-NH2 3.04Å; E400-W472 WeakPolarHBondContact OE2-CZ2 3.42Å; E400-W472 PolarHBondContact OE2-NE1 2.89Å
401	L	76.1	Confident	76.3	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.099	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-44	173.5	-179.1	62.6	0	0	0	110.8	Y397 Y404 C405 R468	Y397-L401 HydrophobicContact CE1-CD2 4.33Å; Y397-L401 VanDerWaalsContact O-CB 3.29Å; Y397-L401 WeakPolarHBondContact O-CB 3.32Å; Y397-L401 PolarHBondContact O-N 3.32Å; L401-Y404 HydrophobicContact CD1-CD1 4.27Å; L401-Y404 WeakPolarHBondContact O-CB 3.28Å; L401-Y404 PolarHBondContact O-N 3Å; L401-C405 PolarHBondContact O-N 3.22Å; L401-C405 PolarHBondContact O-SG 3.12Å; L401-R468 VanDerWaalsContact CD1-NH1 3.32Å
402	K	72.5	Confident	76.8	Confident	75 Å²	75	48.5 Å²	48.5	33%	0.326	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-47.1	175.7	164	160.1	-170	-172.5	0	112.2	E398 L399 E400 Y404 C405 E406 M509	E398-K402 PolarHBondContact O-N 3.3Å; E398-K402 VanDerWaalsContact O-N 3.08Å; L399-K402 WeakPolarHBondContact O-CB 3.24Å; L399-K402 PolarHBondContact O-N 3.02Å; E400-K402 VanDerWaalsContact C-N 3.28Å; E400-K402 PolarHBondContact O-N 3.41Å; K402-Y404 VanDerWaalsContact C-N 3.32Å; K402-Y404 PolarHBondContact O-N 3.14Å; K402-C405 WeakPolarHBondContact O-CB 3.44Å; K402-C405 PolarHBondContact O-N 3.43Å; K402-E406 VanDerWaalsContact CE-OE1 3.31Å; K402-E406 WeakPolarHBondContact CE-OE1 3.47Å; K402-E406 WeakPolarHBondContact O-CG 3.48Å; K402-E406 PolarHBondContact O-N 2.98Å; K402-E406 VanDerWaalsContact O-N 3.08Å; K402-M509 HydrophobicContact CB-CE 3.87Å; K402-M509 HydrophobicContact CD-CE 3.74Å; K402-M509 HydrophobicContact CG-CE 3.4Å; K402-M509 VanDerWaalsContact CG-CE 3.4Å; K402-M509 HydrophobicContact CG-SD 4.3Å
403	R	74.8	Confident	77.3	Confident	111 Å²	111	51.5 Å²	51.5	42%	0.419	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-41.3	176.3	-72.2	177.2	171.4	-160.1	-5.7	112.1	L341 L399 E400 E406 K407	L341-R403 VanDerWaalsContact CB-NH2 3.32Å; L341-R403 VanDerWaalsContact CD1-NH2 3.26Å; L399-R403 PolarHBondContact O-N 3.36Å; L399-R403 VanDerWaalsContact O-N 3.12Å; E400-R403 PolarHBondContact O-N 3.38Å; R403-E406 PolarHBondContact O-N 3.4Å; R403-K407 PolarHBondContact O-N 2.97Å
404	Y	76.6	Confident	77.4	Confident	26 Å²	26	54.7 Å²	54.7	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-46.5	174.3	168	-107.8	0	0	0	111.5	E400 L401 K402 E406 K407 R408 L461 V465	E400-Y404 WeakPolarHBondContact O-CB 3.26Å; E400-Y404 PolarHBondContact O-N 2.86Å; L401-Y404 HydrophobicContact CD1-CD1 4.27Å; L401-Y404 WeakPolarHBondContact O-CB 3.28Å; L401-Y404 PolarHBondContact O-N 3Å; K402-Y404 VanDerWaalsContact C-N 3.32Å; K402-Y404 PolarHBondContact O-N 3.14Å; Y404-E406 VanDerWaalsContact C-N 3.32Å; Y404-E406 PolarHBondContact O-N 2.63Å; Y404-K407 PolarHBondContact O-N 2.98Å; Y404-R408 WeakPolarHBondContact O-CB 3.34Å; Y404-R408 PolarHBondContact O-N 3.47Å; Y404-L461 HydrophobicContact CD2-CD2 4.3Å; Y404-L461 HydrophobicContact CE2-CD2 4.12Å; Y404-V465 HydrophobicContact CD2-CG2 3.97Å; Y404-V465 HydrophobicContact CE2-CG2 3.12Å; Y404-V465 VanDerWaalsContact CZ-CG2 3.47Å; Y404-V465 WeakPolarHBondContact OH-CG2 3.31Å
405	C	74.9	Confident	77.9	Confident	1 Å²	1	55 Å²	55	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-43.2	176.9	-61.2	0	0	0	0	112.5	L401 K402 R408 M409 M509 C513	L401-C405 PolarHBondContact O-N 3.22Å; L401-C405 PolarHBondContact O-SG 3.12Å; K402-C405 WeakPolarHBondContact O-CB 3.44Å; K402-C405 PolarHBondContact O-N 3.43Å; C405-R408 PolarHBondContact O-N 2.79Å; C405-M409 WeakPolarHBondContact O-CB 3.34Å; C405-M409 PolarHBondContact O-N 2.96Å; C405-M509 HydrophobicContact CB-CE 4.45Å; C405-M509 HydrophobicContact CB-CG 4.24Å; C405-C513 WeakPolarHBondContact CA-SG 3.46Å; C405-C513 HydrophobicContact CB-CB 4.04Å; C405-C513 WeakPolarHBondContact CB-SG 3.47Å; C405-C513 WeakPolarHBondContact SG-CB 3.25Å; C405-C513 CovalentContact SG-SG 2.01Å; C405-C513 PolarHBondContact SG-SG 3.14Å
406	E	76.7	Confident	78.4	Confident	78 Å²	78	57.6 Å²	57.6	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-65.8	-42.2	177.6	-69.8	173.7	-170.1	0	0	112.1	K402 R403 Y404 K410 M509	K402-E406 VanDerWaalsContact CE-OE1 3.31Å; K402-E406 WeakPolarHBondContact CE-OE1 3.47Å; K402-E406 WeakPolarHBondContact O-CG 3.48Å; K402-E406 PolarHBondContact O-N 2.98Å; K402-E406 VanDerWaalsContact O-N 3.08Å; R403-E406 PolarHBondContact O-N 3.4Å; Y404-E406 VanDerWaalsContact C-N 3.32Å; Y404-E406 PolarHBondContact O-N 2.63Å; E406-K410 VanDerWaalsContact O-CG 3.32Å; E406-K410 WeakPolarHBondContact O-CG 3.36Å; E406-K410 PolarHBondContact O-N 3.12Å; E406-K410 VanDerWaalsContact O-N 3.16Å; E406-M509 HydrophobicContact CG-SD 3.72Å
407	K	79.6	Confident	78.6	Confident	95 Å²	95	59 Å²	59	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-41.3	175	-73.9	-172.6	176.9	-175.1	0	111.7	R403 Y404 K410 A411 L461 E464	R403-K407 PolarHBondContact O-N 2.97Å; Y404-K407 PolarHBondContact O-N 2.98Å; K407-K410 WeakPolarHBondContact O-CB 3.29Å; K407-K410 PolarHBondContact O-N 3.35Å; K407-A411 PolarHBondContact O-N 3.38Å; K407-L461 HydrophobicContact CB-CD2 3.79Å; K407-E464 WeakPolarHBondContact CD-OE2 3.04Å; K407-E464 IonicContact NZ-OE1 3.43Å; K407-E464 PolarHBondContact NZ-OE1 2.82Å; K407-E464 IonicContact NZ-OE2 3.29Å; K407-E464 PolarHBondContact NZ-OE2 3.14Å
408	R	78	Confident	79	Confident	20 Å²	20	58 Å²	58	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-51.2	176.9	-161.7	-168.9	73	-177	-5.9	111.5	Y404 C405 K410 A411 E412 L461 Y512 C513	Y404-R408 WeakPolarHBondContact O-CB 3.34Å; Y404-R408 PolarHBondContact O-N 3.47Å; C405-R408 PolarHBondContact O-N 2.79Å; R408-K410 PolarHBondContact O-N 3.29Å; R408-A411 PolarHBondContact O-N 3.04Å; R408-E412 VanDerWaalsContact C-OE2 3.28Å; R408-E412 IonicContact CZ-OE1 2.92Å; R408-E412 IonicContact NE-OE1 3.19Å; R408-E412 PolarHBondContact NE-OE1 3.17Å; R408-E412 IonicContact NE-OE2 2.62Å; R408-E412 PolarHBondContact NE-OE2 3.23Å; R408-E412 WeakPolarHBondContact O-CG 3.46Å; R408-E412 PolarHBondContact O-N 3.43Å; R408-L461 HydrophobicContact CB-CD1 4.48Å; R408-L461 HydrophobicContact CG-CD1 4.41Å; R408-Y512 VanDerWaalsContact NH2-C 3.3Å; R408-Y512 VanDerWaalsContact NH2-CE1 3.32Å; R408-Y512 PolarHBondContact NH2-O 3.07Å; R408-C513 PolarHBondContact NH1-O 3.48Å
409	M	77.1	Confident	79.5	Confident	108 Å²	108	58.5 Å²	58.5	53%	0.532	26%	0.263	S	S	.	.	H	α-helix	trans	-57.1	-37	177.1	-174.1	-173.6	171.9	0	0	112.3	C405 E412 K413 Y512	C405-M409 WeakPolarHBondContact O-CB 3.34Å; C405-M409 PolarHBondContact O-N 2.96Å; M409-E412 WeakPolarHBondContact CA-OE2 3.29Å; M409-E412 PolarHBondContact N-OE2 3.32Å; M409-K413 WeakPolarHBondContact O-CB 3.22Å; M409-K413 PolarHBondContact O-N 2.85Å; M409-Y512 HydrophobicContact CB-CE1 4Å; M409-Y512 HydrophobicContact CG-CE1 4.15Å
410	K	83.3	Confident	80.1	Confident	122 Å²	122	61.1 Å²	61.1	53%	0.53	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-40.7	175.5	-72.6	171.3	-177	176.9	0	112.3	E406 K407 R408 K414	E406-K410 VanDerWaalsContact O-CG 3.32Å; E406-K410 WeakPolarHBondContact O-CG 3.36Å; E406-K410 PolarHBondContact O-N 3.12Å; E406-K410 VanDerWaalsContact O-N 3.16Å; K407-K410 WeakPolarHBondContact O-CB 3.29Å; K407-K410 PolarHBondContact O-N 3.35Å; R408-K410 PolarHBondContact O-N 3.29Å; K410-K414 PolarHBondContact O-N 3.04Å
411	A	82.2	Confident	80.2	Confident	4 Å²	4	60 Å²	60	3%	0.033	27%	0.27	C	S	.	.	H	α-helix	trans	-70.9	-42.1	177.4	0	0	0	0	0	112.4	K407 R408 K413 K414 L415 A457 L458 L461	K407-A411 PolarHBondContact O-N 3.38Å; R408-A411 PolarHBondContact O-N 3.04Å; A411-K413 VanDerWaalsContact C-N 3.29Å; A411-K413 PolarHBondContact O-N 2.92Å; A411-K414 WeakPolarHBondContact O-CB 3.25Å; A411-K414 PolarHBondContact O-N 3.45Å; A411-L415 PolarHBondContact O-N 2.81Å; A411-A457 HydrophobicContact CB-CB 3.93Å; A411-L458 HydrophobicContact CB-CD2 4.22Å; A411-L461 HydrophobicContact CB-CD1 3.21Å; A411-L461 HydrophobicContact CB-CG 4.36Å
412	E	78.5	Confident	80.3	Confident	11 Å²	11	59.7 Å²	59.7	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-43.7	174.4	-73.7	162.1	143.5	0	0	110.6	L242 R408 M409 K414 L415 D416 Y512	L242-E412 HydrophobicContact CD1-CG 4.22Å; L242-E412 HydrophobicContact CD2-CG 4.32Å; R408-E412 VanDerWaalsContact C-OE2 3.28Å; R408-E412 IonicContact CZ-OE1 2.92Å; R408-E412 IonicContact NE-OE1 3.19Å; R408-E412 PolarHBondContact NE-OE1 3.17Å; R408-E412 IonicContact NE-OE2 2.62Å; R408-E412 PolarHBondContact NE-OE2 3.23Å; R408-E412 WeakPolarHBondContact O-CG 3.46Å; R408-E412 PolarHBondContact O-N 3.43Å; M409-E412 WeakPolarHBondContact CA-OE2 3.29Å; M409-E412 PolarHBondContact N-OE2 3.32Å; E412-K414 VanDerWaalsContact C-N 3.32Å; E412-K414 PolarHBondContact O-N 3.02Å; E412-L415 WeakPolarHBondContact O-CB 3.48Å; E412-L415 PolarHBondContact O-N 2.66Å; E412-L415 VanDerWaalsContact O-N 3.15Å; E412-D416 PolarHBondContact O-N 3.14Å; E412-Y512 WeakPolarHBondContact OE2-CE1 3.3Å; E412-Y512 VanDerWaalsContact OE2-CZ 3.31Å; E412-Y512 PolarHBondContact OE2-OH 3.37Å
413	K	86.2	Confident	80.7	Confident	157 Å²	157	59.5 Å²	59.5	68%	0.683	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-37.6	174.2	-171.8	176.9	-177.4	178.4	0	113.2	M409 A411 F417	M409-K413 WeakPolarHBondContact O-CB 3.22Å; M409-K413 PolarHBondContact O-N 2.85Å; A411-K413 VanDerWaalsContact C-N 3.29Å; A411-K413 PolarHBondContact O-N 2.92Å; K413-F417 WeakPolarHBondContact O-CB 3.46Å; K413-F417 PolarHBondContact O-N 3.44Å; K413-F417 VanDerWaalsContact O-N 3.13Å
414	K	85.6	Confident	80.8	Confident	97 Å²	97	61 Å²	61	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-42.4	174.8	-74.2	-176.4	175.3	-168.8	0	111.2	K410 A411 E412 F417 A418 S453 A454 A457	K410-K414 PolarHBondContact O-N 3.04Å; A411-K414 WeakPolarHBondContact O-CB 3.25Å; A411-K414 PolarHBondContact O-N 3.45Å; E412-K414 VanDerWaalsContact C-N 3.32Å; E412-K414 PolarHBondContact O-N 3.02Å; K414-F417 PolarHBondContact O-N 3.19Å; K414-A418 PolarHBondContact O-N 3.01Å; K414-S453 PolarHBondContact NZ-OG 3.33Å; K414-A454 HydrophobicContact CB-CB 4.27Å; K414-A457 HydrophobicContact CD-CB 3.88Å
415	L	83.4	Confident	80.6	Confident	15 Å²	15	61.2 Å²	61.2	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.6	-177.7	145.5	0	0	0	111.7	L238 A411 E412 F417 A418 R419 L458	L238-L415 HydrophobicContact CB-CD1 3.88Å; A411-L415 PolarHBondContact O-N 2.81Å; E412-L415 WeakPolarHBondContact O-CB 3.48Å; E412-L415 PolarHBondContact O-N 2.66Å; E412-L415 VanDerWaalsContact O-N 3.15Å; L415-F417 VanDerWaalsContact C-N 3.29Å; L415-F417 PolarHBondContact O-N 3.26Å; L415-A418 PolarHBondContact O-N 3.36Å; L415-R419 WeakPolarHBondContact O-CB 3.37Å; L415-R419 PolarHBondContact O-N 3.25Å; L415-L458 HydrophobicContact CD1-CD1 3.58Å
416	D	82.6	Confident	80.4	Confident	73 Å²	73	63.4 Å²	63.4	39%	0.39	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-40.1	177.3	-80.5	-27.4	0	0	0	112.3	E412 R419 Q420	E412-D416 PolarHBondContact O-N 3.14Å; D416-R419 WeakPolarHBondContact O-CB 3.33Å; D416-R419 PolarHBondContact O-N 3.2Å; D416-Q420 WeakPolarHBondContact O-CG 3.35Å; D416-Q420 PolarHBondContact O-N 3.14Å
417	F	83.8	Confident	80.1	Confident	97 Å²	97	67.7 Å²	67.7	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-41.4	177.3	-173.1	-108.3	0	0	0	112.4	K413 K414 L415 R419 Q420 S421 R450	K413-F417 WeakPolarHBondContact O-CB 3.46Å; K413-F417 PolarHBondContact O-N 3.44Å; K413-F417 VanDerWaalsContact O-N 3.13Å; K414-F417 PolarHBondContact O-N 3.19Å; L415-F417 VanDerWaalsContact C-N 3.29Å; L415-F417 PolarHBondContact O-N 3.26Å; F417-R419 VanDerWaalsContact C-N 3.32Å; F417-Q420 PolarHBondContact O-N 2.74Å; F417-S421 WeakPolarHBondContact O-CB 3.39Å; F417-S421 PolarHBondContact O-N 3.06Å; F417-S421 PolarHBondContact O-OG 3.13Å; F417-R450 HydrophobicContact CD1-CG 4.42Å; F417-R450 HydrophobicContact CE1-CG 4.28Å; F417-R450 VanDerWaalsContact CZ-CZ 3.48Å
418	A	84.3	Confident	79.5	Confident	3 Å²	3	70.5 Å²	70.5	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-41.8	171.9	0	0	0	0	0	111	K414 L415 S421 C422 R450 A454	K414-A418 PolarHBondContact O-N 3.01Å; L415-A418 PolarHBondContact O-N 3.36Å; A418-S421 WeakPolarHBondContact O-CB 3.21Å; A418-S421 PolarHBondContact O-N 3.04Å; A418-C422 PolarHBondContact O-N 2.91Å; A418-R450 HydrophobicContact CB-CB 4.44Å; A418-A454 HydrophobicContact CB-CB 4.33Å
419	R	83.7	Confident	78.8	Confident	33 Å²	33	73.8 Å²	73.8	13%	0.125	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-46.1	177.6	-171.2	179.2	-171.8	-173.2	3.7	113.2	L235 L415 D416 F417 S421 C422 K423	L235-R419 HydrophobicContact CD1-CB 4.26Å; L235-R419 HydrophobicContact CD1-CG 4.4Å; L415-R419 WeakPolarHBondContact O-CB 3.37Å; L415-R419 PolarHBondContact O-N 3.25Å; D416-R419 WeakPolarHBondContact O-CB 3.33Å; D416-R419 PolarHBondContact O-N 3.2Å; F417-R419 VanDerWaalsContact C-N 3.32Å; R419-S421 VanDerWaalsContact C-N 3.3Å; R419-S421 PolarHBondContact O-N 3.35Å; R419-C422 PolarHBondContact O-N 3.05Å; R419-K423 WeakPolarHBondContact O-CG 3.45Å; R419-K423 PolarHBondContact O-N 2.99Å
420	Q	83.8	Confident	78.2	Confident	99 Å²	99	76.4 Å²	76.4	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-38	176.2	-70.4	179.1	31.4	0	0	111.9	D416 F417 K423 R424	D416-Q420 WeakPolarHBondContact O-CG 3.35Å; D416-Q420 PolarHBondContact O-N 3.14Å; F417-Q420 PolarHBondContact O-N 2.74Å; Q420-K423 PolarHBondContact O-N 2.91Å; Q420-R424 WeakPolarHBondContact O-CG 3.43Å; Q420-R424 PolarHBondContact O-N 3.19Å; Q420-R424 VanDerWaalsContact O-N 3.07Å
421	S	80.9	Confident	77	Confident	16 Å²	16	72.2 Å²	72.2	11%	0.112	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-46.1	177.1	-57.1	0	0	0	0	111.1	F417 A418 R419 R424 F425 R450	F417-S421 WeakPolarHBondContact O-CB 3.39Å; F417-S421 PolarHBondContact O-N 3.06Å; F417-S421 PolarHBondContact O-OG 3.13Å; A418-S421 WeakPolarHBondContact O-CB 3.21Å; A418-S421 PolarHBondContact O-N 3.04Å; R419-S421 VanDerWaalsContact C-N 3.3Å; R419-S421 PolarHBondContact O-N 3.35Å; S421-R424 PolarHBondContact O-N 2.98Å; S421-F425 PolarHBondContact O-N 2.95Å; S421-F425 VanDerWaalsContact O-N 3.07Å; S421-R450 PolarHBondContact OG-NH1 3.36Å
422	C	78.6	Confident	75.6	Confident	13 Å²	13	80 Å²	80	9%	0.088	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-47.2	175.2	-174.1	0	0	0	0	111.9	L235 A418 R419 R424 F425 M426 L447	L235-C422 HydrophobicContact CD1-CB 3.83Å; A418-C422 PolarHBondContact O-N 2.91Å; R419-C422 PolarHBondContact O-N 3.05Å; C422-R424 VanDerWaalsContact C-N 3.28Å; C422-R424 PolarHBondContact O-N 2.82Å; C422-F425 WeakPolarHBondContact O-CB 3.33Å; C422-F425 PolarHBondContact O-N 3.31Å; C422-M426 WeakPolarHBondContact O-CG 3.39Å; C422-M426 PolarHBondContact O-N 3.17Å; C422-L447 HydrophobicContact CB-CD1 4.08Å
423	K	79.3	Confident	74.2	Confident	71 Å²	71	89.5 Å²	89.5	31%	0.309	40%	0.402	S	S	.	.	H	α-helix	trans	-58	-36.8	176.2	-76.6	-178.1	179.8	-178.6	0	113.3	R419 Q420 R427	R419-K423 WeakPolarHBondContact O-CG 3.45Å; R419-K423 PolarHBondContact O-N 2.99Å; Q420-K423 PolarHBondContact O-N 2.91Å; K423-R427 PolarHBondContact O-N 3.32Å; K423-R427 PolarHBondContact O-NE 3.4Å
424	R	77.8	Confident	72.3	Confident	142 Å²	142	83.8 Å²	83.8	54%	0.536	39%	0.388	S	S	.	.	H	α-helix	trans	-71.3	-36	177.2	-72.7	174.7	-171.8	178	4.8	111.3	Q420 S421 C422 K428	Q420-R424 WeakPolarHBondContact O-CG 3.43Å; Q420-R424 PolarHBondContact O-N 3.19Å; Q420-R424 VanDerWaalsContact O-N 3.07Å; S421-R424 PolarHBondContact O-N 2.98Å; C422-R424 VanDerWaalsContact C-N 3.28Å; C422-R424 PolarHBondContact O-N 2.82Å; R424-K428 WeakPolarHBondContact O-CG 3.32Å; R424-K428 PolarHBondContact O-N 2.94Å
425	F	72.5	Confident	70.8	Confident	31 Å²	31	84.9 Å²	84.9	14%	0.136	41%	0.407	C	S	.	.	H	α-helix	trans	-66.8	-47.4	176.2	-167.1	-88.9	0	0	0	111.4	L228 S421 C422 R427 K428 R429 V439 N443 L444 L447	L228-F425 HydrophobicContact CD1-CD1 3.48Å; L228-F425 VanDerWaalsContact CD1-CD1 3.48Å; L228-F425 HydrophobicContact CD1-CE1 3.62Å; L228-F425 HydrophobicContact CD2-CD1 4.34Å; L228-F425 HydrophobicContact CD2-CE1 4.09Å; L228-F425 HydrophobicContact CG-CE1 4.37Å; S421-F425 PolarHBondContact O-N 2.95Å; S421-F425 VanDerWaalsContact O-N 3.07Å; C422-F425 WeakPolarHBondContact O-CB 3.33Å; C422-F425 PolarHBondContact O-N 3.31Å; F425-R427 PolarHBondContact O-N 3.07Å; F425-K428 PolarHBondContact O-N 3.47Å; F425-R429 PolarHBondContact O-N 3.48Å; F425-V439 HydrophobicContact CE2-CG1 4.05Å; F425-V439 HydrophobicContact CZ-CG1 3.99Å; F425-N443 HydrophobicContact CE2-CB 4.48Å; F425-L444 HydrophobicContact CE1-CD1 4.4Å; F425-L444 HydrophobicContact CE2-CD1 4.44Å; F425-L444 HydrophobicContact CZ-CD1 4.04Å; F425-L447 HydrophobicContact CB-CD2 4.36Å; F425-L447 HydrophobicContact CG-CD2 4.36Å
426	M	69.6	Low	69.3	Low	46 Å²	46	90 Å²	90	23%	0.227	44%	0.439	C	S	.	.	H	α-helix	trans	-58.3	-46.6	176.6	-66.9	-63.1	-92.7	0	0	112.2	L228 C422 K428 R429 Y430	L228-M426 HydrophobicContact CD1-SD 4Å; L228-M426 HydrophobicContact CD2-SD 3.7Å; L228-M426 HydrophobicContact CG-SD 4.07Å; C422-M426 WeakPolarHBondContact O-CG 3.39Å; C422-M426 PolarHBondContact O-N 3.17Å; M426-K428 VanDerWaalsContact C-N 3.28Å; M426-K428 PolarHBondContact O-N 2.89Å; M426-R429 PolarHBondContact O-N 2.63Å; M426-Y430 HydrophobicContact CE-CE2 3.78Å; M426-Y430 WeakPolarHBondContact O-CD2 3.38Å; M426-Y430 PolarHBondContact O-N 3.4Å; M426-Y430 VanDerWaalsContact O-N 3.12Å; M426-Y430 HydrophobicContact SD-CE2 4.07Å
427	R	71.8	Confident	67.9	Low	169 Å²	169	97.4 Å²	97.4	64%	0.638	46%	0.461	S	S	*	.	H	α-helix	trans	-60.2	-34.2	177.6	-82.9	-178.3	-83.8	163.2	-14.8	113.9	K423 F425 R429 G431	K423-R427 PolarHBondContact O-N 3.32Å; K423-R427 PolarHBondContact O-NE 3.4Å; F425-R427 PolarHBondContact O-N 3.07Å; R427-R429 VanDerWaalsContact C-N 3.34Å; R427-G431 PolarHBondContact O-N 3.49Å; R427-G431 VanDerWaalsContact O-N 3.14Å
428	K	66.6	Low	66.3	Low	153 Å²	153	100.7 Å²	100.7	67%	0.665	48%	0.482	S	S	*	.	H	α-helix	trans	-71.3	-30.3	176	-72.6	176.1	-179.2	-178.3	0	112.1	R424 F425 M426	R424-K428 WeakPolarHBondContact O-CG 3.32Å; R424-K428 PolarHBondContact O-N 2.94Å; F425-K428 PolarHBondContact O-N 3.47Å; M426-K428 VanDerWaalsContact C-N 3.28Å; M426-K428 PolarHBondContact O-N 2.89Å
429	R	63.8	Low	64.7	Low	90 Å²	90	104.8 Å²	104.8	34%	0.34	51%	0.507	S	S	.	.	H	α-helix	trans	-75.6	-39.4	179.1	-169.6	174	178.7	139.5	-0.3	112.8	N224 L228 F425 M426 R427	N224-R429 PolarHBondContact O-NH1 3.22Å; L228-R429 VanDerWaalsContact CD2-NH1 3.34Å; F425-R429 PolarHBondContact O-N 3.48Å; M426-R429 PolarHBondContact O-N 2.63Å; R427-R429 VanDerWaalsContact C-N 3.34Å
430	Y	63.6	Low	63.2	Low	162 Å²	162	107.9 Å²	107.9	64%	0.635	53%	0.526	S	S	*	.	S	Bend	trans	-100.2	5.8	-177.6	-58.2	-76.6	0	0	0	114.1	M426	M426-Y430 HydrophobicContact CE-CE2 3.78Å; M426-Y430 WeakPolarHBondContact O-CD2 3.38Å; M426-Y430 PolarHBondContact O-N 3.4Å; M426-Y430 VanDerWaalsContact O-N 3.12Å; M426-Y430 HydrophobicContact SD-CE2 4.07Å
431	G	58.6	Low	61.9	Low	35 Å²	35	106 Å²	106	36%	0.361	53%	0.528	S	S	.	.			trans	-71.2	136.7	178.7	0	0	0	0	0	112.9	R427 F433 G434	R427-G431 PolarHBondContact O-N 3.49Å; R427-G431 VanDerWaalsContact O-N 3.14Å; G431-F433 PolarHBondContact O-N 3.38Å; G431-G434 PolarHBondContact O-N 2.91Å
432	I	53.1	Low	60.9	Low	168 Å²	168	110.9 Å²	110.9	86%	0.862	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-3.4	-168.5	-41.9	160.6	0	0	0	114.3
433	F	49.6	Very low	60.5	Low	210 Å²	210	114.5 Å²	114.5	92%	0.921	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	15	-177.4	-77.1	-80.6	0	0	0	114.7	G431	G431-F433 PolarHBondContact O-N 3.38Å
434	G	45.3	Very low	60.1	Low	37 Å²	37	111.4 Å²	111.4	38%	0.381	56%	0.557	S	S	.	*			trans	-114.7	-10.4	-154.1	0	0	0	0	0	120.9	G431 V436	G431-G434 PolarHBondContact O-N 2.91Å; G434-V436 PolarHBondContact O-N 3.46Å
435	S	55.2	Low	60.1	Low	119 Å²	119	108.5 Å²	108.5	83%	0.832	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-6.5	-170.6	62.9	0	0	0	0	115.3
436	V	51.1	Low	60.6	Low	123 Å²	123	110.9 Å²	110.9	75%	0.745	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	7.3	-170.8	-173.2	0	0	0	0	113.8	G434	G434-V436 PolarHBondContact O-N 3.46Å
437	R	53.6	Low	61.2	Low	228 Å²	228	109.1 Å²	109.1	86%	0.86	55%	0.554	S	S	*	*	S	Bend	trans	-138	85.2	171.9	-66.6	-172.4	-172.7	172.8	4.6	112.4	V439	R437-V439 PolarHBondContact O-N 3.39Å
438	L	49.5	Very low	61.7	Low	166 Å²	166	105.2 Å²	105.2	87%	0.869	54%	0.544	S	S	*	.				36.1	85.2	127	-152.3	77.9	0	0	0	113.3	N440	L438-N440 PolarHBondContact O-N 2.88Å
439	V	51.4	Low	62.7	Low	89 Å²	89	102.5 Å²	102.5	54%	0.539	54%	0.536	S	S	.	.			trans	-49.4	106.2	162.4	-178.8	0	0	0	0	107.2	F425 R437 A441	F425-V439 HydrophobicContact CE2-CG1 4.05Å; F425-V439 HydrophobicContact CZ-CG1 3.99Å; R437-V439 PolarHBondContact O-N 3.39Å; V439-A441 PolarHBondContact O-N 3.02Å
440	N	52.6	Low	63.7	Low	98 Å²	98	101.6 Å²	101.6	52%	0.524	53%	0.533	S	S	.	.			trans	-61.2	114.4	167.3	-124	4.5	0	0	0	105.9	L438 I442 N443	L438-N440 PolarHBondContact O-N 2.88Å; N440-I442 HydrophobicContact CB-CG1 4.43Å; N440-I442 PolarHBondContact O-N 3.35Å; N440-N443 PolarHBondContact O-N 3.41Å; N440-N443 VanDerWaalsContact O-N 3.11Å
441	A	55.7	Low	64.7	Low	61 Å²	61	94.7 Å²	94.7	50%	0.504	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-27	178.3	0	0	0	0	0	112.9	V439 N443 L444	V439-A441 PolarHBondContact O-N 3.02Å; A441-N443 PolarHBondContact O-N 3.1Å; A441-L444 PolarHBondContact O-N 2.83Å
442	I	59.6	Low	66.1	Low	118 Å²	118	96.7 Å²	96.7	61%	0.605	51%	0.509	S	S	*	.	H	α-helix	trans	-49	-28.2	176	-48.6	178.8	0	0	0	114.1	N440	N440-I442 HydrophobicContact CB-CG1 4.43Å; N440-I442 PolarHBondContact O-N 3.35Å
443	N	69.7	Low	67.8	Low	88 Å²	88	90.8 Å²	90.8	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-88.9	-17.1	179.2	-72	-61.7	0	0	0	114.7	F425 N440 A441 L447	F425-N443 HydrophobicContact CE2-CB 4.48Å; N440-N443 PolarHBondContact O-N 3.41Å; N440-N443 VanDerWaalsContact O-N 3.11Å; A441-N443 PolarHBondContact O-N 3.1Å; N443-L447 WeakPolarHBondContact O-CB 3.3Å; N443-L447 PolarHBondContact O-N 2.94Å
444	L	72.7	Confident	69.6	Low	7 Å²	7	80.9 Å²	80.9	4%	0.037	44%	0.439	C	S	.	.	H	α-helix	trans	-83.4	-43.6	-178.2	-171.2	63.1	0	0	0	110.8	K227 F425 A441 E446 L447 E448	K227-L444 HydrophobicContact CB-CD2 3.69Å; K227-L444 HydrophobicContact CB-CG 4.39Å; K227-L444 HydrophobicContact CD-CD2 3.65Å; K227-L444 HydrophobicContact CG-CD2 4.31Å; F425-L444 HydrophobicContact CE1-CD1 4.4Å; F425-L444 HydrophobicContact CE2-CD1 4.44Å; F425-L444 HydrophobicContact CZ-CD1 4.04Å; A441-L444 PolarHBondContact O-N 2.83Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 3.22Å; L444-L447 HydrophobicContact CD1-CD2 4.43Å; L444-L447 WeakPolarHBondContact O-CB 3.29Å; L444-L447 PolarHBondContact O-N 2.84Å; L444-L447 VanDerWaalsContact O-N 3.08Å; L444-E448 WeakPolarHBondContact O-CB 3.5Å; L444-E448 PolarHBondContact O-N 2.8Å
445	D	77.2	Confident	71.5	Confident	80 Å²	80	82.9 Å²	82.9	43%	0.428	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-38.6	176	-54.7	-32.2	0	0	0	111	E448 N449	D445-E448 PolarHBondContact O-N 3.49Å; D445-N449 WeakPolarHBondContact O-CB 3.28Å; D445-N449 PolarHBondContact O-N 3.48Å; D445-N449 PolarHBondContact O-ND2 3.42Å; D445-N449 VanDerWaalsContact O-ND2 3.15Å
446	E	82.7	Confident	73.2	Confident	82 Å²	82	83 Å²	83	38%	0.383	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-37.2	173.9	177.2	61.5	-167.8	0	0	112.2	L444 R450	L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 3.22Å; E446-R450 VanDerWaalsContact O-CG 3.23Å; E446-R450 WeakPolarHBondContact O-CG 3.43Å; E446-R450 PolarHBondContact O-N 2.96Å; E446-R450 VanDerWaalsContact O-N 3.09Å; E446-R450 IonicContact OE1-CZ 2.76Å; E446-R450 IonicContact OE1-NE 3.18Å; E446-R450 PolarHBondContact OE1-NE 3.32Å; E446-R450 IonicContact OE1-NH2 2.76Å; E446-R450 PolarHBondContact OE1-NH2 2.95Å
447	L	82.5	Confident	74.9	Confident	8 Å²	8	78.1 Å²	78.1	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-66	-44.1	174.9	179.5	66.8	0	0	0	110.7	A231 C422 F425 N443 L444 R450 L451	A231-L447 HydrophobicContact CB-CD2 4.42Å; C422-L447 HydrophobicContact CB-CD1 4.08Å; F425-L447 HydrophobicContact CB-CD2 4.36Å; F425-L447 HydrophobicContact CG-CD2 4.36Å; N443-L447 WeakPolarHBondContact O-CB 3.3Å; N443-L447 PolarHBondContact O-N 2.94Å; L444-L447 HydrophobicContact CD1-CD2 4.43Å; L444-L447 WeakPolarHBondContact O-CB 3.29Å; L444-L447 PolarHBondContact O-N 2.84Å; L444-L447 VanDerWaalsContact O-N 3.08Å; L447-R450 PolarHBondContact O-N 3.37Å; L447-L451 WeakPolarHBondContact O-CB 3.41Å; L447-L451 PolarHBondContact O-N 2.65Å
448	E	82.4	Confident	76.2	Confident	88 Å²	88	68.3 Å²	68.3	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-47.2	176.9	-174.5	172.4	-176.2	0	0	111.3	L444 D445 R450 L451 I452	L444-E448 WeakPolarHBondContact O-CB 3.5Å; L444-E448 PolarHBondContact O-N 2.8Å; D445-E448 PolarHBondContact O-N 3.49Å; E448-R450 VanDerWaalsContact C-N 3.34Å; E448-R450 PolarHBondContact O-N 2.73Å; E448-L451 WeakPolarHBondContact O-CB 3.17Å; E448-L451 PolarHBondContact O-N 2.86Å; E448-L451 VanDerWaalsContact O-N 3.12Å; E448-I452 HydrophobicContact CG-CD1 3.91Å; E448-I452 WeakPolarHBondContact O-CG1 3.43Å; E448-I452 PolarHBondContact O-N 2.96Å
449	N	86.4	Confident	77.9	Confident	96 Å²	96	62.6 Å²	62.6	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-41.1	176.8	-73.2	-28.5	0	0	0	112.6	D445 L451 S453	D445-N449 WeakPolarHBondContact O-CB 3.28Å; D445-N449 PolarHBondContact O-N 3.48Å; D445-N449 PolarHBondContact O-ND2 3.42Å; D445-N449 VanDerWaalsContact O-ND2 3.15Å; N449-L451 VanDerWaalsContact C-N 3.32Å; N449-L451 PolarHBondContact O-N 3.34Å; N449-S453 WeakPolarHBondContact O-CB 3.46Å; N449-S453 PolarHBondContact O-N 3.48Å
450	R	85.6	Confident	79.5	Confident	70 Å²	70	63 Å²	63	26%	0.264	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-39.4	175.7	-74.7	172	-172.6	-163	-0.1	112.2	F417 A418 S421 E446 L447 E448 S453 A454	F417-R450 HydrophobicContact CD1-CG 4.42Å; F417-R450 HydrophobicContact CE1-CG 4.28Å; F417-R450 VanDerWaalsContact CZ-CZ 3.48Å; A418-R450 HydrophobicContact CB-CB 4.44Å; S421-R450 PolarHBondContact OG-NH1 3.36Å; E446-R450 VanDerWaalsContact O-CG 3.23Å; E446-R450 WeakPolarHBondContact O-CG 3.43Å; E446-R450 PolarHBondContact O-N 2.96Å; E446-R450 VanDerWaalsContact O-N 3.09Å; E446-R450 IonicContact OE1-CZ 2.76Å; E446-R450 IonicContact OE1-NE 3.18Å; E446-R450 PolarHBondContact OE1-NE 3.32Å; E446-R450 IonicContact OE1-NH2 2.76Å; E446-R450 PolarHBondContact OE1-NH2 2.95Å; L447-R450 PolarHBondContact O-N 3.37Å; E448-R450 VanDerWaalsContact C-N 3.34Å; E448-R450 PolarHBondContact O-N 2.73Å; R450-S453 PolarHBondContact O-N 3.46Å; R450-A454 WeakPolarHBondContact O-CB 3.34Å; R450-A454 PolarHBondContact O-N 2.8Å
451	L	84.5	Confident	80.8	Confident	17 Å²	17	59.1 Å²	59.1	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-70.5	-42.5	-179.3	-172	62.1	0	0	0	111.5	A231 T234 L235 L238 L447 E448 N449 A454 K455	A231-L451 HydrophobicContact CB-CD2 3.87Å; T234-L451 WeakPolarHBondContact OG1-CD2 3.39Å; L235-L451 HydrophobicContact CB-CD1 4.22Å; L238-L451 HydrophobicContact CD1-CD1 4.02Å; L447-L451 WeakPolarHBondContact O-CB 3.41Å; L447-L451 PolarHBondContact O-N 2.65Å; E448-L451 WeakPolarHBondContact O-CB 3.17Å; E448-L451 PolarHBondContact O-N 2.86Å; E448-L451 VanDerWaalsContact O-N 3.12Å; N449-L451 VanDerWaalsContact C-N 3.32Å; N449-L451 PolarHBondContact O-N 3.34Å; L451-A454 PolarHBondContact O-N 3.17Å; L451-K455 WeakPolarHBondContact O-CB 3.29Å; L451-K455 PolarHBondContact O-N 2.86Å
452	I	87.8	Confident	81.8	Confident	78 Å²	78	60.4 Å²	60.4	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-45.4	172.1	-67.2	167.4	0	0	0	110.3	E448 A454 K455 Q456	E448-I452 HydrophobicContact CG-CD1 3.91Å; E448-I452 WeakPolarHBondContact O-CG1 3.43Å; E448-I452 PolarHBondContact O-N 2.96Å; I452-A454 PolarHBondContact O-N 3.44Å; I452-K455 PolarHBondContact O-N 2.9Å; I452-Q456 HydrophobicContact CG2-CG 4.33Å; I452-Q456 WeakPolarHBondContact O-CB 3.03Å; I452-Q456 WeakPolarHBondContact O-CG 3.31Å; I452-Q456 PolarHBondContact O-N 2.81Å
453	S	88.2	Confident	82.9	Confident	44 Å²	44	60.1 Å²	60.1	31%	0.308	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-38.6	178.8	-167.4	0	0	0	0	113	K414 N449 R450 A457	K414-S453 PolarHBondContact NZ-OG 3.33Å; N449-S453 WeakPolarHBondContact O-CB 3.46Å; N449-S453 PolarHBondContact O-N 3.48Å; R450-S453 PolarHBondContact O-N 3.46Å; S453-A457 WeakPolarHBondContact O-CB 3.48Å; S453-A457 PolarHBondContact O-N 3Å; S453-A457 VanDerWaalsContact O-N 3.11Å
454	A	87.3	Confident	83.3	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-42.3	174.8	0	0	0	0	0	111.4	K414 A418 R450 L451 I452 A457 L458	K414-A454 HydrophobicContact CB-CB 4.27Å; A418-A454 HydrophobicContact CB-CB 4.33Å; R450-A454 WeakPolarHBondContact O-CB 3.34Å; R450-A454 PolarHBondContact O-N 2.8Å; L451-A454 PolarHBondContact O-N 3.17Å; I452-A454 PolarHBondContact O-N 3.44Å; A454-A457 PolarHBondContact O-N 2.79Å; A454-L458 PolarHBondContact O-N 3.04Å; A454-L458 VanDerWaalsContact O-N 3.14Å
455	K	86.7	Confident	83.4	Confident	79 Å²	79	59.6 Å²	59.6	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-51.7	175.2	177.5	169.8	178.9	-178.1	0	112.1	L238 L451 I452 A457 L458 D459	L238-K455 HydrophobicContact CD1-CB 4.1Å; L238-K455 HydrophobicContact CD2-CB 3.85Å; L238-K455 HydrophobicContact CD2-CG 3.9Å; L451-K455 WeakPolarHBondContact O-CB 3.29Å; L451-K455 PolarHBondContact O-N 2.86Å; I452-K455 PolarHBondContact O-N 2.9Å; K455-A457 VanDerWaalsContact C-N 3.25Å; K455-A457 PolarHBondContact O-N 3.29Å; K455-L458 PolarHBondContact O-N 2.67Å; K455-D459 WeakPolarHBondContact CG-OD2 3.44Å; K455-D459 PolarHBondContact O-N 2.98Å
456	Q	89.7	Confident	83.3	Confident	123 Å²	123	60.6 Å²	60.6	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-58.2	-38.5	178.2	-73.8	174.8	-21.7	0	0	112.2	I452 L458 Q460	I452-Q456 HydrophobicContact CG2-CG 4.33Å; I452-Q456 WeakPolarHBondContact O-CB 3.03Å; I452-Q456 WeakPolarHBondContact O-CG 3.31Å; I452-Q456 PolarHBondContact O-N 2.81Å; Q456-L458 VanDerWaalsContact C-N 3.31Å; Q456-L458 PolarHBondContact O-N 3.33Å; Q456-Q460 VanDerWaalsContact O-CB 3.26Å; Q456-Q460 WeakPolarHBondContact O-CB 3.43Å; Q456-Q460 PolarHBondContact O-N 3.4Å
457	A	86.8	Confident	83.5	Confident	19 Å²	19	61 Å²	61	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-33.7	176.7	0	0	0	0	0	112.7	A411 K414 S453 A454 K455 L461	A411-A457 HydrophobicContact CB-CB 3.93Å; K414-A457 HydrophobicContact CD-CB 3.88Å; S453-A457 WeakPolarHBondContact O-CB 3.48Å; S453-A457 PolarHBondContact O-N 3Å; S453-A457 VanDerWaalsContact O-N 3.11Å; A454-A457 PolarHBondContact O-N 2.79Å; K455-A457 VanDerWaalsContact C-N 3.25Å; K455-A457 PolarHBondContact O-N 3.29Å; A457-L461 WeakPolarHBondContact O-CG 3.41Å; A457-L461 PolarHBondContact O-N 3.43Å
458	L	82.2	Confident	83.4	Confident	22 Å²	22	61.8 Å²	61.8	12%	0.115	30%	0.304	C	S	.	.	H	α-helix	trans	-77.6	-44.2	176.1	-73.1	171.9	0	0	0	112.4	L238 L242 A411 L415 A454 K455 Q456 Q460 L461 E462	L238-L458 HydrophobicContact CB-CD1 4.2Å; L238-L458 HydrophobicContact CD2-CD1 3.94Å; L238-L458 HydrophobicContact CG-CD1 4.49Å; L242-L458 HydrophobicContact CD1-CD2 4.03Å; A411-L458 HydrophobicContact CB-CD2 4.22Å; L415-L458 HydrophobicContact CD1-CD1 3.58Å; A454-L458 PolarHBondContact O-N 3.04Å; A454-L458 VanDerWaalsContact O-N 3.14Å; K455-L458 PolarHBondContact O-N 2.67Å; Q456-L458 VanDerWaalsContact C-N 3.31Å; Q456-L458 PolarHBondContact O-N 3.33Å; L458-Q460 VanDerWaalsContact C-N 3.25Å; L458-Q460 PolarHBondContact O-N 3.23Å; L458-L461 HydrophobicContact CD2-CD1 4.46Å; L458-L461 WeakPolarHBondContact O-CB 3.44Å; L458-L461 PolarHBondContact O-N 3.06Å; L458-L461 VanDerWaalsContact O-N 3.08Å; L458-E462 PolarHBondContact O-N 3.49Å
459	D	84	Confident	83	Confident	46 Å²	46	61.2 Å²	61.2	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-39.5	176	-69	-23.2	0	0	0	110.5	R241 K455 E462 I463	R241-D459 IonicContact NH1-OD1 2.81Å; R241-D459 PolarHBondContact NH1-OD1 2.99Å; K455-D459 WeakPolarHBondContact CG-OD2 3.44Å; K455-D459 PolarHBondContact O-N 2.98Å; D459-E462 WeakPolarHBondContact O-CB 3.5Å; D459-E462 PolarHBondContact O-N 3.06Å; D459-I463 WeakPolarHBondContact O-CG1 3.37Å; D459-I463 PolarHBondContact O-N 3.28Å; D459-I463 VanDerWaalsContact O-N 3.12Å
460	Q	85.3	Confident	82.5	Confident	99 Å²	99	60.8 Å²	60.8	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-41.3	174.4	-176.3	61.7	29.4	0	0	112.3	Q456 L458 E462 I463 E464	Q456-Q460 VanDerWaalsContact O-CB 3.26Å; Q456-Q460 WeakPolarHBondContact O-CB 3.43Å; Q456-Q460 PolarHBondContact O-N 3.4Å; L458-Q460 VanDerWaalsContact C-N 3.25Å; L458-Q460 PolarHBondContact O-N 3.23Å; Q460-E462 VanDerWaalsContact C-N 3.33Å; Q460-I463 PolarHBondContact O-N 3.02Å; Q460-E464 PolarHBondContact NE2-OE1 3.03Å; Q460-E464 VanDerWaalsContact NE2-OE1 3.14Å; Q460-E464 WeakPolarHBondContact O-CB 3.43Å; Q460-E464 VanDerWaalsContact O-CG 3.3Å; Q460-E464 WeakPolarHBondContact O-CG 3.42Å; Q460-E464 PolarHBondContact O-N 2.78Å
461	L	80.4	Confident	82.6	Confident	15 Å²	15	61 Å²	61	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-37.7	176.1	-80.7	171.2	0	0	0	112.1	Y404 K407 R408 A411 A457 L458 E464 V465	Y404-L461 HydrophobicContact CD2-CD2 4.3Å; Y404-L461 HydrophobicContact CE2-CD2 4.12Å; K407-L461 HydrophobicContact CB-CD2 3.79Å; R408-L461 HydrophobicContact CB-CD1 4.48Å; R408-L461 HydrophobicContact CG-CD1 4.41Å; A411-L461 HydrophobicContact CB-CD1 3.21Å; A411-L461 HydrophobicContact CB-CG 4.36Å; A457-L461 WeakPolarHBondContact O-CG 3.41Å; A457-L461 PolarHBondContact O-N 3.43Å; L458-L461 HydrophobicContact CD2-CD1 4.46Å; L458-L461 WeakPolarHBondContact O-CB 3.44Å; L458-L461 PolarHBondContact O-N 3.06Å; L458-L461 VanDerWaalsContact O-N 3.08Å; L461-E464 PolarHBondContact O-N 3.39Å; L461-V465 WeakPolarHBondContact O-CB 3.09Å; L461-V465 WeakPolarHBondContact O-CG2 2.67Å; L461-V465 PolarHBondContact O-N 2.9Å
462	E	76.4	Confident	82.5	Confident	89 Å²	89	60.3 Å²	60.3	42%	0.416	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-48.3	177.2	-172.9	178	170.8	0	0	111	R241 L458 D459 Q460 E464 V465 Q466	R241-E462 IonicContact NH1-OE2 3.21Å; L458-E462 PolarHBondContact O-N 3.49Å; D459-E462 WeakPolarHBondContact O-CB 3.5Å; D459-E462 PolarHBondContact O-N 3.06Å; Q460-E462 VanDerWaalsContact C-N 3.33Å; E462-E464 PolarHBondContact O-N 2.82Å; E462-V465 PolarHBondContact O-N 3.41Å; E462-Q466 PolarHBondContact O-N 3.26Å
463	I	81.9	Confident	82	Confident	111 Å²	111	59.2 Å²	59.2	57%	0.569	30%	0.297	S	S	*	.	H	α-helix	trans	-60.5	-45.9	175.7	-64.5	166.5	0	0	0	110.7	D459 Q460 V465 Q466 E467	D459-I463 WeakPolarHBondContact O-CG1 3.37Å; D459-I463 PolarHBondContact O-N 3.28Å; D459-I463 VanDerWaalsContact O-N 3.12Å; Q460-I463 PolarHBondContact O-N 3.02Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.08Å; I463-Q466 PolarHBondContact O-N 3.48Å; I463-E467 WeakPolarHBondContact O-CB 3.19Å; I463-E467 PolarHBondContact O-N 3.05Å
464	E	78.6	Confident	81.7	Confident	50 Å²	50	64.6 Å²	64.6	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-37.3	179.2	-74.7	-176.9	-163.7	0	0	112.5	K407 Q460 L461 E462 R468	K407-E464 WeakPolarHBondContact CD-OE2 3.04Å; K407-E464 IonicContact NZ-OE1 3.43Å; K407-E464 PolarHBondContact NZ-OE1 2.82Å; K407-E464 IonicContact NZ-OE2 3.29Å; K407-E464 PolarHBondContact NZ-OE2 3.14Å; Q460-E464 PolarHBondContact NE2-OE1 3.03Å; Q460-E464 VanDerWaalsContact NE2-OE1 3.14Å; Q460-E464 WeakPolarHBondContact O-CB 3.43Å; Q460-E464 VanDerWaalsContact O-CG 3.3Å; Q460-E464 WeakPolarHBondContact O-CG 3.42Å; Q460-E464 PolarHBondContact O-N 2.78Å; L461-E464 PolarHBondContact O-N 3.39Å; E462-E464 PolarHBondContact O-N 2.82Å; E464-R468 WeakPolarHBondContact O-CB 3.47Å; E464-R468 PolarHBondContact O-N 3.22Å
465	V	74.9	Confident	81.4	Confident	35 Å²	35	66.5 Å²	66.5	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-45.2	175	167.6	0	0	0	0	110.8	Y404 L461 E462 I463 R468 I469	Y404-V465 HydrophobicContact CD2-CG2 3.97Å; Y404-V465 HydrophobicContact CE2-CG2 3.12Å; Y404-V465 VanDerWaalsContact CZ-CG2 3.47Å; Y404-V465 WeakPolarHBondContact OH-CG2 3.31Å; L461-V465 WeakPolarHBondContact O-CB 3.09Å; L461-V465 WeakPolarHBondContact O-CG2 2.67Å; L461-V465 PolarHBondContact O-N 2.9Å; E462-V465 PolarHBondContact O-N 3.41Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.08Å; V465-R468 PolarHBondContact O-N 2.96Å; V465-I469 HydrophobicContact CG1-CD1 3.76Å; V465-I469 HydrophobicContact CG1-CG1 4.43Å; V465-I469 VanDerWaalsContact O-CG1 3.3Å; V465-I469 WeakPolarHBondContact O-CG1 3.32Å; V465-I469 PolarHBondContact O-N 3.31Å
466	Q	74.7	Confident	81.1	Confident	101 Å²	101	64.2 Å²	64.2	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-43.3	179.7	-170.6	60.8	48.1	0	0	111.5	E462 I463 R468 I469 N470	E462-Q466 PolarHBondContact O-N 3.26Å; I463-Q466 PolarHBondContact O-N 3.48Å; Q466-R468 VanDerWaalsContact C-N 3.32Å; Q466-R468 PolarHBondContact O-N 2.92Å; Q466-I469 PolarHBondContact O-N 3.15Å; Q466-N470 PolarHBondContact NE2-OD1 3.38Å; Q466-N470 VanDerWaalsContact NE2-OD1 3.12Å; Q466-N470 WeakPolarHBondContact O-CB 3.42Å; Q466-N470 PolarHBondContact O-N 2.98Å; Q466-N470 PolarHBondContact O-ND2 3.04Å
467	E	86.6	Confident	80.6	Confident	89 Å²	89	61.8 Å²	61.8	42%	0.416	31%	0.312	S	S	.	.	H	α-helix	trans	-56.4	-49.1	172.7	-174.7	-76.3	150.4	0	0	110.6	I463 I469 N470 R471	I463-E467 WeakPolarHBondContact O-CB 3.19Å; I463-E467 PolarHBondContact O-N 3.05Å; E467-I469 PolarHBondContact O-N 3.21Å; E467-N470 PolarHBondContact O-N 2.97Å; E467-R471 WeakPolarHBondContact O-CB 3.43Å; E467-R471 PolarHBondContact O-N 3.08Å; E467-R471 WeakPolarHBondContact OE1-CD 2.99Å; E467-R471 IonicContact OE1-CZ 2.73Å; E467-R471 IonicContact OE1-NE 2.79Å; E467-R471 PolarHBondContact OE1-NE 3.33Å; E467-R471 IonicContact OE1-NH2 2.78Å; E467-R471 IonicContact OE2-CZ 2.67Å; E467-R471 IonicContact OE2-NE 3.71Å; E467-R471 PolarHBondContact OE2-NE 3.39Å; E467-R471 IonicContact OE2-NH2 2.77Å; E467-R471 PolarHBondContact OE2-NH2 2.96Å
468	R	80.2	Confident	80.3	Confident	25 Å²	25	66.7 Å²	66.7	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-48.3	-179.1	178.3	174.9	177.7	-131.4	-10.1	111.6	Y397 E400 L401 E464 V465 Q466 N470 R471 W472	Y397-R468 PolarHBondContact OH-NH2 3.4Å; E400-R468 VanDerWaalsContact OE1-CD 3.24Å; E400-R468 WeakPolarHBondContact OE1-CD 3.26Å; E400-R468 WeakPolarHBondContact OE1-CG 3.35Å; E400-R468 IonicContact OE1-NE 3.81Å; L401-R468 VanDerWaalsContact CD1-NH1 3.32Å; E464-R468 WeakPolarHBondContact O-CB 3.47Å; E464-R468 PolarHBondContact O-N 3.22Å; V465-R468 PolarHBondContact O-N 2.96Å; Q466-R468 VanDerWaalsContact C-N 3.32Å; Q466-R468 PolarHBondContact O-N 2.92Å; R468-N470 VanDerWaalsContact C-N 3.32Å; R468-N470 PolarHBondContact O-N 3.28Å; R468-R471 PolarHBondContact O-N 3.26Å; R468-W472 VanDerWaalsContact CG-CD1 3.49Å; R468-W472 WeakPolarHBondContact O-CB 3.43Å; R468-W472 PolarHBondContact O-N 3.33Å
469	I	73.8	Confident	80	Confident	76 Å²	76	67.3 Å²	67.3	39%	0.39	34%	0.34	S	S	.	.	H	α-helix	trans	-58.8	-46.6	177.3	-69.2	167.1	0	0	0	110.1	V465 Q466 E467 S473	V465-I469 HydrophobicContact CG1-CD1 3.76Å; V465-I469 HydrophobicContact CG1-CG1 4.43Å; V465-I469 VanDerWaalsContact O-CG1 3.3Å; V465-I469 WeakPolarHBondContact O-CG1 3.32Å; V465-I469 PolarHBondContact O-N 3.31Å; Q466-I469 PolarHBondContact O-N 3.15Å; E467-I469 PolarHBondContact O-N 3.21Å; I469-S473 VanDerWaalsContact O-CB 3.25Å; I469-S473 WeakPolarHBondContact O-CB 3.46Å; I469-S473 PolarHBondContact O-N 3.35Å; I469-S473 PolarHBondContact O-OG 3.49Å
470	N	77.8	Confident	79.3	Confident	88 Å²	88	68.3 Å²	68.3	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-42.9	-179.7	-69.6	-13.4	0	0	0	112.2	Q466 E467 R468 S473 R474	Q466-N470 PolarHBondContact NE2-OD1 3.38Å; Q466-N470 VanDerWaalsContact NE2-OD1 3.12Å; Q466-N470 WeakPolarHBondContact O-CB 3.42Å; Q466-N470 PolarHBondContact O-N 2.98Å; Q466-N470 PolarHBondContact O-ND2 3.04Å; E467-N470 PolarHBondContact O-N 2.97Å; R468-N470 VanDerWaalsContact C-N 3.32Å; R468-N470 PolarHBondContact O-N 3.28Å; N470-S473 WeakPolarHBondContact CA-OG 3.31Å; N470-S473 PolarHBondContact O-OG 3.46Å; N470-R474 WeakPolarHBondContact O-CB 3.27Å; N470-R474 PolarHBondContact O-N 2.99Å
471	R	87.1	Confident	78.4	Confident	74 Å²	74	66.1 Å²	66.1	28%	0.279	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-47.5	179.7	176.3	167.4	46.1	75	10.9	111.5	E400 E467 R468 R474 I475	E400-R471 IonicContact OE1-CZ 3.28Å; E400-R471 IonicContact OE1-NH1 3.97Å; E400-R471 IonicContact OE1-NH2 3.71Å; E400-R471 PolarHBondContact OE1-NH2 3.25Å; E400-R471 IonicContact OE2-CZ 2.78Å; E400-R471 IonicContact OE2-NH1 2.68Å; E400-R471 PolarHBondContact OE2-NH1 3.31Å; E400-R471 IonicContact OE2-NH2 3.43Å; E400-R471 PolarHBondContact OE2-NH2 3.04Å; E467-R471 WeakPolarHBondContact O-CB 3.43Å; E467-R471 PolarHBondContact O-N 3.08Å; E467-R471 WeakPolarHBondContact OE1-CD 2.99Å; E467-R471 IonicContact OE1-CZ 2.73Å; E467-R471 IonicContact OE1-NE 2.79Å; E467-R471 PolarHBondContact OE1-NE 3.33Å; E467-R471 IonicContact OE1-NH2 2.78Å; E467-R471 IonicContact OE2-CZ 2.67Å; E467-R471 IonicContact OE2-NE 3.71Å; E467-R471 PolarHBondContact OE2-NE 3.39Å; E467-R471 IonicContact OE2-NH2 2.77Å; E467-R471 PolarHBondContact OE2-NH2 2.96Å; R468-R471 PolarHBondContact O-N 3.26Å; R471-R474 PolarHBondContact O-N 3.14Å; R471-I475 HydrophobicContact CG-CD1 3.78Å; R471-I475 HydrophobicContact CG-CG1 4.43Å; R471-I475 VanDerWaalsContact O-CG1 3.24Å; R471-I475 WeakPolarHBondContact O-CG1 3.41Å; R471-I475 PolarHBondContact O-N 2.98Å
472	W	82.4	Confident	77.8	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.008	38%	0.377	C	S	.	.	H	α-helix	trans	-67.3	-41.9	179.9	-76.8	106.5	0	0	0	112.2	L393 T396 Y397 E400 R468 R474 I475 E476 I483	L393-W472 HydrophobicContact CD2-CZ3 4.43Å; L393-W472 VanDerWaalsContact O-CH2 3.31Å; L393-W472 WeakPolarHBondContact O-CH2 3.26Å; T396-W472 HydrophobicContact CG2-CH2 4.02Å; T396-W472 HydrophobicContact CG2-CZ2 4.14Å; Y397-W472 AromaticContact CD2-CD1 3.89Å; Y397-W472 AromaticContact CD2-CD2 3.51Å; Y397-W472 HydrophobicContact CD2-CD2 3.51Å; Y397-W472 AromaticContact CD2-CE2 3.53Å; Y397-W472 AromaticContact CD2-CE3 3.97Å; Y397-W472 HydrophobicContact CD2-CE3 3.97Å; Y397-W472 AromaticContact CD2-CG 3.76Å; Y397-W472 HydrophobicContact CD2-CG 3.76Å; Y397-W472 HydrophobicContact CD2-CH2 4.45Å; Y397-W472 HydrophobicContact CD2-CZ2 4.04Å; Y397-W472 HydrophobicContact CD2-CZ3 4.41Å; Y397-W472 AromaticContact CD2-NE1 3.76Å; Y397-W472 HydrophobicContact CE2-CD2 4.3Å; Y397-W472 HydrophobicContact CE2-CG 4.08Å; Y397-W472 HydrophobicContact CG-CD2 4.44Å; Y397-W472 HydrophobicContact CG-CZ2 4.29Å; E400-W472 WeakPolarHBondContact OE2-CZ2 3.42Å; E400-W472 PolarHBondContact OE2-NE1 2.89Å; R468-W472 VanDerWaalsContact CG-CD1 3.49Å; R468-W472 WeakPolarHBondContact O-CB 3.43Å; R468-W472 PolarHBondContact O-N 3.33Å; W472-R474 VanDerWaalsContact C-N 3.27Å; W472-R474 PolarHBondContact O-N 2.93Å; W472-I475 HydrophobicContact CD2-CD1 4.34Å; W472-I475 HydrophobicContact CE3-CB 4.41Å; W472-I475 HydrophobicContact CE3-CD1 4.04Å; W472-I475 HydrophobicContact CE3-CG2 4.36Å; W472-I475 HydrophobicContact CZ3-CD1 4.22Å; W472-I475 HydrophobicContact CZ3-CG2 4.38Å; W472-I475 PolarHBondContact O-N 2.04Å; W472-I475 VanDerWaalsContact O-N 3.12Å; W472-E476 WeakPolarHBondContact O-CG 3.42Å; W472-E476 PolarHBondContact O-N 3.42Å; W472-I483 HydrophobicContact CE3-CD1 4.15Å; W472-I483 HydrophobicContact CE3-CG2 4.12Å; W472-I483 HydrophobicContact CZ3-CD1 4.04Å; W472-I483 HydrophobicContact CZ3-CG2 3.91Å
473	S	76.1	Confident	77.1	Confident	55 Å²	55	68.3 Å²	68.3	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-37.9	173	58.8	0	0	0	0	112.2	I469 N470 A477	I469-S473 VanDerWaalsContact O-CB 3.25Å; I469-S473 WeakPolarHBondContact O-CB 3.46Å; I469-S473 PolarHBondContact O-N 3.35Å; I469-S473 PolarHBondContact O-OG 3.49Å; N470-S473 WeakPolarHBondContact CA-OG 3.31Å; N470-S473 PolarHBondContact O-OG 3.46Å; S473-A477 WeakPolarHBondContact O-CB 3.32Å; S473-A477 PolarHBondContact O-N 3.44Å
474	R	82.4	Confident	75.9	Confident	158 Å²	158	65.3 Å²	65.3	60%	0.596	34%	0.342	S	S	*	.	H	α-helix	trans	-67.2	-40.9	174.1	-173.6	57.4	174.9	166.1	0.9	112.4	N470 R471 W472 A477 L478	N470-R474 WeakPolarHBondContact O-CB 3.27Å; N470-R474 PolarHBondContact O-N 2.99Å; R471-R474 PolarHBondContact O-N 3.14Å; W472-R474 VanDerWaalsContact C-N 3.27Å; W472-R474 PolarHBondContact O-N 2.93Å; R474-A477 PolarHBondContact O-N 2.9Å; R474-L478 HydrophobicContact CG-CD1 4.12Å; R474-L478 WeakPolarHBondContact O-CB 3.24Å; R474-L478 VanDerWaalsContact O-CG 3.27Å; R474-L478 WeakPolarHBondContact O-CG 3.46Å; R474-L478 PolarHBondContact O-N 3.1Å
475	I	82.5	Confident	74.7	Confident	40 Å²	40	65.2 Å²	65.2	21%	0.205	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-44.5	176.1	-68.7	165.9	0	0	0	110.4	L393 R471 W472 A477 L478 T479 I483	L393-I475 HydrophobicContact CD1-CG2 4.17Å; L393-I475 HydrophobicContact CD2-CG2 4Å; R471-I475 HydrophobicContact CG-CD1 3.78Å; R471-I475 HydrophobicContact CG-CG1 4.43Å; R471-I475 VanDerWaalsContact O-CG1 3.24Å; R471-I475 WeakPolarHBondContact O-CG1 3.41Å; R471-I475 PolarHBondContact O-N 2.98Å; W472-I475 HydrophobicContact CD2-CD1 4.34Å; W472-I475 HydrophobicContact CE3-CB 4.41Å; W472-I475 HydrophobicContact CE3-CD1 4.04Å; W472-I475 HydrophobicContact CE3-CG2 4.36Å; W472-I475 HydrophobicContact CZ3-CD1 4.22Å; W472-I475 HydrophobicContact CZ3-CG2 4.38Å; W472-I475 PolarHBondContact O-N 2.04Å; W472-I475 VanDerWaalsContact O-N 3.12Å; I475-A477 VanDerWaalsContact C-N 3.35Å; I475-A477 PolarHBondContact O-N 3.44Å; I475-L478 PolarHBondContact O-N 2.86Å; I475-T479 HydrophobicContact CG2-CG2 4.15Å; I475-T479 WeakPolarHBondContact O-CB 3.48Å; I475-T479 VanDerWaalsContact O-CG2 3.29Å; I475-T479 WeakPolarHBondContact O-CG2 3.21Å; I475-T479 PolarHBondContact O-N 3.31Å; I475-T479 PolarHBondContact O-OG1 3.06Å; I475-I483 HydrophobicContact CG2-CD1 3.62Å
476	E	79.1	Confident	73.4	Confident	31 Å²	31	65.5 Å²	65.5	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-43.2	176.3	-70.6	-176.7	138.2	0	0	111.5	W472 L478 T479 G480 I483 H484	W472-E476 WeakPolarHBondContact O-CG 3.42Å; W472-E476 PolarHBondContact O-N 3.42Å; E476-L478 VanDerWaalsContact C-N 3.33Å; E476-L478 PolarHBondContact O-N 2.93Å; E476-T479 PolarHBondContact O-N 2.93Å; E476-G480 PolarHBondContact O-N 3.47Å; E476-I483 HydrophobicContact CG-CB 4.02Å; E476-I483 HydrophobicContact CG-CD1 3.96Å; E476-I483 HydrophobicContact CG-CG1 4.09Å; E476-I483 WeakPolarHBondContact OE1-CA 3.46Å; E476-I483 PolarHBondContact OE1-N 3.09Å; E476-H484 WeakPolarHBondContact OE1-CB 3.2Å; E476-H484 IonicContact OE1-CD2 3.62Å; E476-H484 PolarHBondContact OE1-CD2 3.01Å; E476-H484 IonicContact OE1-CG 3.74Å; E476-H484 PolarHBondContact OE1-N 2.98Å; E476-H484 IonicContact OE2-CD2 3.64Å
477	A	78.8	Confident	72.1	Confident	73 Å²	73	62.3 Å²	62.3	60%	0.603	33%	0.331	S	S	*	.	H	α-helix	trans	-63.2	-36.5	176.1	0	0	0	0	0	113.1	S473 R474 I475	S473-A477 WeakPolarHBondContact O-CB 3.32Å; S473-A477 PolarHBondContact O-N 3.44Å; R474-A477 PolarHBondContact O-N 2.9Å; I475-A477 VanDerWaalsContact C-N 3.35Å; I475-A477 PolarHBondContact O-N 3.44Å
478	L	81.7	Confident	70	Confident	121 Å²	121	63.4 Å²	63.4	63%	0.634	34%	0.336	S	S	*	.	H	α-helix	trans	-79.7	-32.6	179.4	-71.3	173.5	0	0	0	113.1	R474 I475 E476	R474-L478 HydrophobicContact CG-CD1 4.12Å; R474-L478 WeakPolarHBondContact O-CB 3.24Å; R474-L478 VanDerWaalsContact O-CG 3.27Å; R474-L478 WeakPolarHBondContact O-CG 3.46Å; R474-L478 PolarHBondContact O-N 3.1Å; I475-L478 PolarHBondContact O-N 2.86Å; E476-L478 VanDerWaalsContact C-N 3.33Å; E476-L478 PolarHBondContact O-N 2.93Å
479	T	76.4	Confident	68.1	Low	35 Å²	35	66.3 Å²	66.3	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-90.4	-18.8	-176.7	57.2	0	0	0	0	112.8	L393 I475 E476 H481	L393-T479 HydrophobicContact CD1-CG2 3.75Å; I475-T479 HydrophobicContact CG2-CG2 4.15Å; I475-T479 WeakPolarHBondContact O-CB 3.48Å; I475-T479 VanDerWaalsContact O-CG2 3.29Å; I475-T479 WeakPolarHBondContact O-CG2 3.21Å; I475-T479 PolarHBondContact O-N 3.31Å; I475-T479 PolarHBondContact O-OG1 3.06Å; E476-T479 PolarHBondContact O-N 2.93Å; T479-H481 PolarHBondContact O-CE1 3.41Å; T479-H481 PolarHBondContact O-N 3.43Å; T479-H481 PolarHBondContact O-ND1 3.1Å
480	G	69.4	Low	66.5	Low	67 Å²	67	66.6 Å²	66.6	69%	0.691	35%	0.353	S	S	*	.			trans	70.3	7.5	-176.3	0	0	0	0	0	113.9	E476	E476-G480 PolarHBondContact O-N 3.47Å
481	H	66.4	Low	64.5	Low	54 Å²	54	68.5 Å²	68.5	25%	0.25	35%	0.354	C	S	.	.	S	Bend	trans	-110.9	132	179.1	-62.5	80.4	0	0	0	109.2	K390 T479 I483	K390-H481 HydrophobicContact CD-CB 4.46Å; K390-H481 HydrophobicContact CG-CB 4.15Å; T479-H481 PolarHBondContact O-CE1 3.41Å; T479-H481 PolarHBondContact O-N 3.43Å; T479-H481 PolarHBondContact O-ND1 3.1Å; H481-I483 PolarHBondContact O-N 3.4Å
482	F	65.9	Low	62	Low	146 Å²	146	68 Å²	68	64%	0.64	37%	0.366	S	S	*	.			trans	-73.1	114.4	166	-67.5	-83.3	0	0	0	108.9	T485	F482-T485 HydrophobicContact CB-CG2 4.18Å; F482-T485 WeakPolarHBondContact CB-OG1 3.25Å
483	I	62.2	Low	59.6	Low	3 Å²	3	76.2 Å²	76.2	2%	0.015	40%	0.402	C	S	.	.	S	Bend	trans	-93.5	-31.2	179.5	-61.8	162.6	0	0	0	109	L393 Y397 W472 I475 E476 H481 T485	L393-I483 HydrophobicContact CB-CD1 3.98Å; L393-I483 HydrophobicContact CB-CG1 4.47Å; L393-I483 HydrophobicContact CD1-CD1 4.03Å; Y397-I483 HydrophobicContact CG-CG2 4.43Å; W472-I483 HydrophobicContact CE3-CD1 4.15Å; W472-I483 HydrophobicContact CE3-CG2 4.12Å; W472-I483 HydrophobicContact CZ3-CD1 4.04Å; W472-I483 HydrophobicContact CZ3-CG2 3.91Å; I475-I483 HydrophobicContact CG2-CD1 3.62Å; E476-I483 HydrophobicContact CG-CB 4.02Å; E476-I483 HydrophobicContact CG-CD1 3.96Å; E476-I483 HydrophobicContact CG-CG1 4.09Å; E476-I483 WeakPolarHBondContact OE1-CA 3.46Å; E476-I483 PolarHBondContact OE1-N 3.09Å; H481-I483 PolarHBondContact O-N 3.4Å; I483-T485 VanDerWaalsContact C-N 3.33Å; I483-T485 PolarHBondContact O-N 3.05Å
484	H	56.5	Low	57.7	Low	48 Å²	48	77 Å²	77	22%	0.222	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.6	177.4	-93.4	-90.2	0	0	0	113.8	Y397 E476	Y397-H484 AromaticContact CE2-CE1 3.5Å; Y397-H484 AromaticContact CE2-NE2 3.47Å; Y397-H484 WeakPolarHBondContact CE2-NE2 3.39Å; Y397-H484 AromaticContact CZ-CE1 3.58Å; Y397-H484 AromaticContact CZ-ND1 3.81Å; Y397-H484 PolarHBondContact OH-CE1 3.35Å; Y397-H484 PolarHBondContact OH-ND1 3.17Å; E476-H484 WeakPolarHBondContact OE1-CB 3.2Å; E476-H484 IonicContact OE1-CD2 3.62Å; E476-H484 PolarHBondContact OE1-CD2 3.01Å; E476-H484 IonicContact OE1-CG 3.74Å; E476-H484 PolarHBondContact OE1-N 2.98Å; E476-H484 IonicContact OE2-CD2 3.64Å
485	T	53.6	Low	55.3	Low	48 Å²	48	74.5 Å²	74.5	29%	0.294	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.2	-166.1	50.9	0	0	0	0	116.5	F482 I483	F482-T485 HydrophobicContact CB-CG2 4.18Å; F482-T485 WeakPolarHBondContact CB-OG1 3.25Å; I483-T485 VanDerWaalsContact C-N 3.33Å; I483-T485 PolarHBondContact O-N 3.05Å
486	D	47.6	Very low	53	Low	42 Å²	42	79.6 Å²	79.6	23%	0.225	44%	0.436	C	S	.	.	S	Bend	trans	-104.9	-7.6	-174	-137.3	-27.9	0	0	0	114.2	K390 Q490	K390-D486 IonicContact NZ-OD2 3.73Å; K390-D486 PolarHBondContact NZ-OD2 3.45Å; K390-D486 VanDerWaalsContact NZ-OD2 3.15Å; D486-Q490 PolarHBondContact O-N 2.67Å
487	I	48.6	Very low	50.5	Low	34 Å²	34	83.6 Å²	83.6	17%	0.174	47%	0.466	C	S	.	.	H	α-helix	trans	-82.2	-27.6	-177.3	-63.6	165.5	0	0	0	111.6	Q394 Y397 E398 N489	Q394-I487 HydrophobicContact CG-CG1 4.39Å; Y397-I487 HydrophobicContact CD1-CD1 3.13Å; Y397-I487 HydrophobicContact CE1-CD1 3.32Å; Y397-I487 HydrophobicContact CG-CD1 4.25Å; E398-I487 HydrophobicContact CG-CD1 3.95Å; E398-I487 HydrophobicContact CG-CG1 4.19Å; I487-N489 VanDerWaalsContact C-N 3.31Å
488	H	41.9	Very low	48.1	Very low	112 Å²	112	88.8 Å²	88.8	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-77.2	-18.3	177.7	-147	-70.1	0	0	0	112.8
489	N	40.1	Very low	45.5	Very low	85 Å²	85	88.7 Å²	88.7	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-107	-28.3	-171.4	-121.3	-20.5	0	0	0	114.2	I487	I487-N489 VanDerWaalsContact C-N 3.31Å
490	Q	40.1	Very low	43.4	Very low	82 Å²	82	93.1 Å²	93.1	38%	0.383	51%	0.51	S	S	.	.	H	α-helix	trans	-75.8	-36.7	177	-85.7	-179.3	32.4	0	0	113.5	D486 S494	D486-Q490 PolarHBondContact O-N 2.67Å; Q490-S494 PolarHBondContact O-N 3.41Å; Q490-S494 PolarHBondContact O-OG 3.16Å
491	Y	36.9	Very low	41.4	Very low	128 Å²	128	99.9 Å²	99.9	50%	0.502	52%	0.52	S	S	.	.	H	α-helix	trans	-81	-21.9	-179.4	-72.4	-81.3	0	0	0	113.5	S494 T495	Y491-S494 PolarHBondContact O-OG 2.95Å; Y491-T495 PolarHBondContact O-OG1 3.36Å
492	A	33.2	Very low	39.5	Very low	64 Å²	64	102 Å²	102	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-75.2	-30.1	172.1	0	0	0	0	0	112.8
493	K	31.8	Very low	37.9	Very low	174 Å²	174	102 Å²	102	76%	0.757	55%	0.546	S	S	*	.	H	α-helix	trans	-86.5	-22.3	176.2	-91.2	177.8	175.7	173.3	0	114.4
494	S	35.7	Very low	36.2	Very low	73 Å²	73	111 Å²	111	51%	0.51	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-87.2	-3.2	-179.2	65.4	0	0	0	0	114.9	Q490 Y491	Q490-S494 PolarHBondContact O-N 3.41Å; Q490-S494 PolarHBondContact O-OG 3.16Å; Y491-S494 PolarHBondContact O-OG 2.95Å
495	T	33.4	Very low	34.8	Very low	104 Å²	104	114 Å²	114	64%	0.638	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-99.1	12.6	-173.6	-47.5	0	0	0	0	113.1	Y491	Y491-T495 PolarHBondContact O-OG1 3.36Å
496	I	33.4	Very low	34.2	Very low	148 Å²	148	115.5 Å²	115.5	76%	0.759	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-100.8	8.9	176.3	-57.9	172	0	0	0	112
497	C	26.7	Very low	33.5	Very low	115 Å²	115	119.1 Å²	119.1	78%	0.777	64%	0.642	S	S	*	*	S	Bend	trans	-127.2	105.7	172	-92.3	0	0	0	0	111.7	T499	C497-T499 PolarHBondContact O-N 3.47Å
498	E	27.9	Very low	33.2	Very low	181 Å²	181	121.9 Å²	121.9	85%	0.846	66%	0.658	S	S	*	*			trans	-31.7	127.2	152.6	-59	167.2	153.4	0	0	110.6
499	T	27.4	Very low	33.2	Very low	119 Å²	119	118.7 Å²	118.7	73%	0.73	64%	0.643	S	S	*	*				162.1	128.2	97.3	28.9	0	0	0	0	103.4	C497	C497-T499 PolarHBondContact O-N 3.47Å
500	T	32.1	Very low	33.3	Very low	128 Å²	128	118.5 Å²	118.5	79%	0.785	64%	0.637	S	S	*	*				178.6	134.2	88.5	21.7	0	0	0	0	107.9	S502	T500-S502 PolarHBondContact O-N 3.16Å
501	K	28.2	Very low	33.6	Very low	210 Å²	210	119.1 Å²	119.1	91%	0.913	64%	0.635	S	S	*	*			trans	-57.3	111.7	167.2	-64.8	165	177.8	173	0	109.2
502	S	27	Very low	34	Very low	98 Å²	98	116.2 Å²	116.2	69%	0.685	62%	0.624	S	S	*	*			trans	162.2	144.4	144.3	55	0	0	0	0	109	T500	T500-S502 PolarHBondContact O-N 3.16Å
503	I	32.1	Very low	34.9	Very low	145 Å²	145	113.2 Å²	113.2	74%	0.744	60%	0.599	S	S	*	*			trans	85.3	84.6	178.1	-44.6	164.9	0	0	0	113.6	C505	I503-C505 VanDerWaalsContact C-N 3.31Å; I503-C505 PolarHBondContact O-N 3.28Å
504	H	26.4	Very low	35.8	Very low	193 Å²	193	109.2 Å²	109.2	89%	0.894	59%	0.586	S	S	*	*			trans	-70.1	80.6	170.7	-174.9	-79.5	0	0	0	110.5
505	C	27.4	Very low	36.1	Very low	110 Å²	110	107.6 Å²	107.6	74%	0.743	58%	0.581	S	S	*	*			trans	-155.8	138	165.8	-168.1	0	0	0	0	108.7	I503	I503-C505 VanDerWaalsContact C-N 3.31Å; I503-C505 PolarHBondContact O-N 3.28Å
506	S	40.6	Very low	36.3	Very low	81 Å²	81	106.6 Å²	106.6	57%	0.566	58%	0.578	S	S	*	*	S	Bend	trans	88.7	71.2	168.8	-160	0	0	0	0	118.6
507	M	33	Very low	36.3	Very low	118 Å²	118	104.6 Å²	104.6	58%	0.581	57%	0.567	S	S	*	*	S	Bend	trans	-146.6	-39	158.3	-128.1	-88.4	-154	0	0	112	M509 R511	M507-M509 PolarHBondContact O-N 2.76Å; M507-R511 PolarHBondContact O-N 3.2Å; M507-R511 PolarHBondContact SD-NE 3.36Å; M507-R511 VanDerWaalsContact SD-NE 3.4Å; M507-R511 PolarHBondContact SD-NH2 3.03Å
508	D	41.8	Very low	36.9	Very low	92 Å²	92	105.3 Å²	105.3	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-69.9	-32.3	-173.8	-63.1	-36.2	0	0	0	114.7	Y510 R511 Y512	D508-Y510 PolarHBondContact O-N 3.16Å; D508-R511 PolarHBondContact O-N 3.04Å; D508-R511 IonicContact OD1-CZ 3.99Å; D508-R511 IonicContact OD1-NH1 2.63Å; D508-R511 PolarHBondContact OD1-NH1 3.27Å; D508-R511 IonicContact OD1-NH2 2.86Å; D508-Y512 VanDerWaalsContact O-CB 3.26Å; D508-Y512 WeakPolarHBondContact O-CB 3.28Å; D508-Y512 PolarHBondContact O-N 3.5Å
509	M	42.1	Very low	37.4	Very low	44 Å²	44	100.8 Å²	100.8	22%	0.217	55%	0.546	C	S	.	.	H	α-helix	trans	-67.1	-35.8	-177.7	-167.5	-166.4	79.2	0	0	112.8	K402 C405 E406 M507 C513	K402-M509 HydrophobicContact CB-CE 3.87Å; K402-M509 HydrophobicContact CD-CE 3.74Å; K402-M509 HydrophobicContact CG-CE 3.4Å; K402-M509 VanDerWaalsContact CG-CE 3.4Å; K402-M509 HydrophobicContact CG-SD 4.3Å; C405-M509 HydrophobicContact CB-CE 4.45Å; C405-M509 HydrophobicContact CB-CG 4.24Å; E406-M509 HydrophobicContact CG-SD 3.72Å; M507-M509 PolarHBondContact O-N 2.76Å; M509-C513 WeakPolarHBondContact O-CB 3.41Å; M509-C513 PolarHBondContact O-N 3.2Å; M509-C513 VanDerWaalsContact O-N 3.08Å
510	Y	41.6	Very low	37.8	Very low	81 Å²	81	100.9 Å²	100.9	32%	0.318	55%	0.551	S	S	.	*	H	α-helix	trans	-77.2	-37.2	177.7	-72.5	-83.8	0	0	0	111.9	D508 C513 N514	D508-Y510 PolarHBondContact O-N 3.16Å; Y510-C513 PolarHBondContact O-N 3.48Å; Y510-N514 WeakPolarHBondContact O-CB 3.44Å; Y510-N514 PolarHBondContact O-N 3.17Å
511	R	47.1	Very low	38.2	Very low	95 Å²	95	101 Å²	101	36%	0.358	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-41.2	171.5	-99.2	-169.6	-90.7	114.2	-5	112.4	M507 D508 N514 G515 S516	M507-R511 PolarHBondContact O-N 3.2Å; M507-R511 PolarHBondContact SD-NE 3.36Å; M507-R511 VanDerWaalsContact SD-NE 3.4Å; M507-R511 PolarHBondContact SD-NH2 3.03Å; D508-R511 PolarHBondContact O-N 3.04Å; D508-R511 IonicContact OD1-CZ 3.99Å; D508-R511 IonicContact OD1-NH1 2.63Å; D508-R511 PolarHBondContact OD1-NH1 3.27Å; D508-R511 IonicContact OD1-NH2 2.86Å; R511-N514 PolarHBondContact O-N 3.33Å; R511-G515 PolarHBondContact O-N 3.4Å; R511-S516 PolarHBondContact O-N 3.07Å; R511-S516 VanDerWaalsContact O-N 3.16Å
512	Y	45.7	Very low	38.8	Very low	67 Å²	67	92.7 Å²	92.7	26%	0.263	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-45.5	175	-175.9	-110.8	0	0	0	111.1	R408 M409 E412 D508 N514 G515	R408-Y512 VanDerWaalsContact NH2-C 3.3Å; R408-Y512 VanDerWaalsContact NH2-CE1 3.32Å; R408-Y512 PolarHBondContact NH2-O 3.07Å; M409-Y512 HydrophobicContact CB-CE1 4Å; M409-Y512 HydrophobicContact CG-CE1 4.15Å; E412-Y512 WeakPolarHBondContact OE2-CE1 3.3Å; E412-Y512 VanDerWaalsContact OE2-CZ 3.31Å; E412-Y512 PolarHBondContact OE2-OH 3.37Å; D508-Y512 VanDerWaalsContact O-CB 3.26Å; D508-Y512 WeakPolarHBondContact O-CB 3.28Å; D508-Y512 PolarHBondContact O-N 3.5Å; Y512-N514 PolarHBondContact O-N 3.16Å; Y512-G515 PolarHBondContact O-N 3.2Å
513	C	52.5	Low	39.4	Very low	1 Å²	1	94.4 Å²	94.4	1%	0.007	52%	0.517	C	S	.	.	H	α-helix	trans	-57.8	-50.6	174.9	-122.6	0	0	0	0	110.9	R249 C405 R408 M509 Y510 G515	R249-C513 PolarHBondContact NE-O 3.25Å; R249-C513 PolarHBondContact NH1-O 3.32Å; R249-C513 PolarHBondContact NH2-O 3.21Å; C405-C513 WeakPolarHBondContact CA-SG 3.46Å; C405-C513 HydrophobicContact CB-CB 4.04Å; C405-C513 WeakPolarHBondContact CB-SG 3.47Å; C405-C513 WeakPolarHBondContact SG-CB 3.25Å; C405-C513 CovalentContact SG-SG 2.01Å; C405-C513 PolarHBondContact SG-SG 3.14Å; R408-C513 PolarHBondContact NH1-O 3.48Å; M509-C513 WeakPolarHBondContact O-CB 3.41Å; M509-C513 PolarHBondContact O-N 3.2Å; M509-C513 VanDerWaalsContact O-N 3.08Å; Y510-C513 PolarHBondContact O-N 3.48Å; C513-G515 PolarHBondContact O-N 2.94Å
514	N	50	Low	39.8	Very low	91 Å²	91	97.8 Å²	97.8	49%	0.487	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	18.6	-175.7	-66.3	-9.5	0	0	0	115.4	R249 Y510 R511 Y512 S516	R249-N514 PolarHBondContact NH2-OD1 3.13Å; Y510-N514 WeakPolarHBondContact O-CB 3.44Å; Y510-N514 PolarHBondContact O-N 3.17Å; R511-N514 PolarHBondContact O-N 3.33Å; Y512-N514 PolarHBondContact O-N 3.16Å; N514-S516 PolarHBondContact O-N 2.99Å
515	G	41.7	Very low	40.2	Very low	39 Å²	39	90.6 Å²	90.6	40%	0.402	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	13.3	167.4	0	0	0	0	0	115.6	R511 Y512 C513	R511-G515 PolarHBondContact O-N 3.4Å; Y512-G515 PolarHBondContact O-N 3.2Å; C513-G515 PolarHBondContact O-N 2.94Å
516	S	37.3	Very low	40.5	Very low	83 Å²	83	89 Å²	89	58%	0.58	48%	0.478	S	S	*	.			trans	-85.9	-9.2	-175.6	-176	0	0	0	0	114.6	R511 N514	R511-S516 PolarHBondContact O-N 3.07Å; R511-S516 VanDerWaalsContact O-N 3.16Å; N514-S516 PolarHBondContact O-N 2.99Å
517	M	34.6	Very low	40.4	Very low	106 Å²	106	88.2 Å²	88.2	52%	0.522	47%	0.473	S	S	.	.			trans	-128.3	88.6	178.3	-78.6	174.7	79.6	0	0	109.8
518	K	38	Very low	40.6	Very low	129 Å²	129	88.5 Å²	88.5	56%	0.561	47%	0.474	S	S	*	.			trans	-76.1	129.1	159.3	-74.1	-172.6	171.4	-168.7	0	108.4	E246 S520	E246-K518 WeakPolarHBondContact OE2-CE 3.47Å; E246-K518 IonicContact OE2-NZ 2.65Å; K518-S520 PolarHBondContact O-N 2.86Å
519	S	38	Very low	40.6	Very low	87 Å²	87	87.1 Å²	87.1	61%	0.608	47%	0.466	S	S	*	.			trans	-58.6	116.8	167.5	168.6	0	0	0	0	108.5	D521 S522	S519-D521 PolarHBondContact O-N 2.89Å; S519-S522 PolarHBondContact O-N 3.44Å
520	S	37.1	Very low	40.4	Very low	120 Å²	120	91.8 Å²	91.8	84%	0.839	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	11.2	-171.5	-43.5	0	0	0	0	115.5	K518	K518-S520 PolarHBondContact O-N 2.86Å
521	D	39	Very low	40.2	Very low	130 Å²	130	94.6 Å²	94.6	70%	0.695	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	2.2	-177.7	-73.5	-30.4	0	0	0	114	S519	S519-D521 PolarHBondContact O-N 2.89Å
522	S	41.4	Very low	39.8	Very low	37 Å²	37	95.3 Å²	95.3	26%	0.259	52%	0.519	S	S	.	.	S	Bend	trans	-68	-39.3	-178.5	159.9	0	0	0	0	113.7	S519	S519-S522 PolarHBondContact O-N 3.44Å
523	D	41	Very low	39.2	Very low	134 Å²	134	96.1 Å²	96.1	72%	0.717	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.8	-157.9	-59.7	-18.4	0	0	0	114.8
524	R	39.1	Very low	38.4	Very low	215 Å²	215	102.8 Å²	102.8	81%	0.811	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-4.4	177.6	-69.6	-177.7	90.1	-178.6	8.1	114.8
525	L	35.8	Very low	37.7	Very low	42 Å²	42	106.9 Å²	106.9	22%	0.22	59%	0.585	C	S	.	*	S	Bend	trans	-98.8	-26.1	-174.1	-154.3	83.3	0	0	0	113.9	S527 M528 I529	L525-S527 PolarHBondContact O-N 3.4Å; L525-M528 PolarHBondContact O-N 2.91Å; L525-I529 HydrophobicContact CD2-CD1 3.96Å; L525-I529 HydrophobicContact CG-CD1 4.12Å
526	S	34.3	Very low	37.3	Very low	76 Å²	76	109.9 Å²	109.9	53%	0.531	60%	0.6	S	S	.	*	H	α-helix	trans	-63.9	-31	179	-61.3	0	0	0	0	112.1
527	S	38.5	Very low	37.1	Very low	66 Å²	66	113 Å²	113	46%	0.462	61%	0.61	S	S	.	*	H	α-helix	trans	-75.7	-30.8	177.7	59.7	0	0	0	0	114.5	L525	L525-S527 PolarHBondContact O-N 3.4Å
528	M	37	Very low	36.8	Very low	124 Å²	124	119 Å²	119	61%	0.611	63%	0.627	S	S	*	*	H	α-helix	trans	-81.3	-19.2	-177.1	-71.4	-174.9	-178.3	0	0	114.4	L525 T532	L525-M528 PolarHBondContact O-N 2.91Å; M528-T532 PolarHBondContact O-OG1 2.89Å; M528-T532 VanDerWaalsContact O-OG1 3.07Å
529	I	40.1	Very low	36.2	Very low	62 Å²	62	123 Å²	123	32%	0.318	65%	0.645	S	S	.	*	H	α-helix	trans	-89.3	-23.6	179.8	-65.6	173.2	0	0	0	111.1	L525 T532	L525-I529 HydrophobicContact CD2-CD1 3.96Å; L525-I529 HydrophobicContact CG-CD1 4.12Å; I529-T532 PolarHBondContact O-OG1 2.9Å
530	E	38.2	Very low	36	Very low	142 Å²	142	124.6 Å²	124.6	66%	0.664	66%	0.655	S	S	*	*	H	α-helix	trans	-79.3	-37.2	177.9	-152.2	158.7	-154.6	0	0	111.4	T532 S533	E530-T532 VanDerWaalsContact C-N 3.32Å; E530-T532 PolarHBondContact O-N 3.38Å; E530-S533 PolarHBondContact O-N 3.27Å; E530-S533 PolarHBondContact O-OG 3.4Å
531	E	38.1	Very low	35.6	Very low	141 Å²	141	128.7 Å²	128.7	66%	0.659	66%	0.658	S	S	*	*	H	α-helix	trans	-67.1	-27	177.4	-74.2	178.6	162.1	0	0	113.8	S533	E531-S533 VanDerWaalsContact C-N 3.33Å; E531-S533 PolarHBondContact O-N 3.04Å
532	T	37.9	Very low	35.2	Very low	110 Å²	110	127.7 Å²	127.7	68%	0.675	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-6.4	-177.8	34.8	0	0	0	0	114.4	M528 I529 E530	M528-T532 PolarHBondContact O-OG1 2.89Å; M528-T532 VanDerWaalsContact O-OG1 3.07Å; I529-T532 PolarHBondContact O-OG1 2.9Å; E530-T532 VanDerWaalsContact C-N 3.32Å; E530-T532 PolarHBondContact O-N 3.38Å
533	S	34.6	Very low	34.6	Very low	84 Å²	84	132.1 Å²	132.1	59%	0.587	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-10.1	178.4	68.2	0	0	0	0	114.3	E530 E531	E530-S533 PolarHBondContact O-N 3.27Å; E530-S533 PolarHBondContact O-OG 3.4Å; E531-S533 VanDerWaalsContact C-N 3.33Å; E531-S533 PolarHBondContact O-N 3.04Å
534	L	35.5	Very low	34	Very low	140 Å²	140	130 Å²	130	73%	0.733	68%	0.682	S	S	*	*	S	Bend	trans	-108	-5.2	-174.6	-105.3	148.4	0	0	0	115.1
535	E	33.7	Very low	33.5	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	68%	0.684	S	S	*	*	S	Bend	trans	-103.9	-1.5	178.7	-80.7	-168.5	141.8	0	0	115.5	N537	E535-N537 VanDerWaalsContact C-N 3.35Å; E535-N537 PolarHBondContact O-N 3.22Å
536	S	33.9	Very low	33.2	Very low	102 Å²	102	128.5 Å²	128.5	71%	0.713	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	3.8	-178.5	-176.1	0	0	0	0	115.3
537	N	32.4	Very low	32.9	Very low	149 Å²	149	132.7 Å²	132.7	80%	0.797	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	22.2	-170.5	-82.8	-27.5	0	0	0	116	E535	E535-N537 VanDerWaalsContact C-N 3.35Å; E535-N537 PolarHBondContact O-N 3.22Å
538	R	28.4	Very low	32.4	Very low	233 Å²	233	134.9 Å²	134.9	88%	0.879	73%	0.733	S	S	*	*			trans	-118.5	76.8	171	-83.3	-170.3	-101.4	-175.6	-4	112.3
539	F	27.1	Very low	31.9	Very low	213 Å²	213	135.6 Å²	135.6	93%	0.934	74%	0.739	S	S	*	*			trans	-108.5	106.2	159.9	-118.7	-85.4	0	0	0	108.3
540	S	32.3	Very low	31.1	Very low	119 Å²	119	139.5 Å²	139.5	83%	0.832	76%	0.761	S	S	*	*			trans	-117.5	120.7	167.3	-69.7	0	0	0	0	109.8
541	K	29.1	Very low	30.6	Very low	207 Å²	207	142.9 Å²	142.9	90%	0.9	77%	0.773	S	S	*	*			trans	-55.9	135	169.5	-76.9	164.6	167.1	170.4	0	111.8
542	S	31.1	Very low	29.9	Very low	108 Å²	108	143.4 Å²	143.4	76%	0.755	78%	0.781	S	S	*	*			trans	-178.2	103.1	130.9	55.8	0	0	0	0	112.5
543	T	29.6	Very low	29.4	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	79%	0.785	S	S	*	*				39.6	113.3	122.6	-33.1	0	0	0	0	121.5
544	S	28.3	Very low	29.1	Very low	89 Å²	89	145.5 Å²	145.5	62%	0.622	79%	0.794	S	S	*	*			trans	72.9	127.7	131.6	85.5	0	0	0	0	123.5
545	N	28.6	Very low	28.8	Very low	159 Å²	159	146.6 Å²	146.6	85%	0.85	79%	0.794	S	S	*	*			trans	93.1	130.8	139.7	-57.7	-18.5	0	0	0	120
546	G	28.3	Very low	28.7	Very low	67 Å²	67	145.3 Å²	145.3	69%	0.691	79%	0.793	S	S	*	*			trans	102.6	96	159.5	0	0	0	0	0	113.9
547	L	27.4	Very low	28.5	Very low	165 Å²	165	150 Å²	150	86%	0.864	80%	0.801	S	S	*	*				74.3	116.6	92.2	-74.8	177.5	0	0	0	115.1
548	V	28.4	Very low	28.3	Very low	112 Å²	112	151.4 Å²	151.4	68%	0.679	80%	0.803	S	S	*	*			trans	84.7	118.3	133.5	179.2	0	0	0	0	119.5
549	N	26.1	Very low	28.5	Very low	138 Å²	138	148.5 Å²	148.5	74%	0.738	80%	0.803	S	S	*	*			trans	55.4	135.8	145	-62	-1.1	0	0	0	122.9
550	D	24.1	Very low	28.6	Very low	145 Å²	145	147.1 Å²	147.1	78%	0.775	80%	0.797	S	S	*	*			trans	45.4	117	146.9	-76.5	-26.6	0	0	0	118.3
551	F	28.4	Very low	28.3	Very low	213 Å²	213	149 Å²	149	93%	0.934	80%	0.798	S	S	*	*				-164.1	123.6	126.9	-112.8	-78.9	0	0	0	111
552	D	23.2	Very low	28.4	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	80%	0.796	S	S	*	*			trans	-57.1	141.7	164.5	-122.2	-25.4	0	0	0	110.8
553	C	27.7	Very low	28.3	Very low	113 Å²	113	149.3 Å²	149.3	76%	0.764	79%	0.792	S	S	*	*			trans	-151.2	100.6	158.3	-166.2	0	0	0	0	111.4
554	T	27	Very low	28.4	Very low	126 Å²	126	150.4 Å²	150.4	77%	0.773	79%	0.793	S	S	*	*			trans	-65.9	125.6	156.8	48.7	0	0	0	0	110.3
555	H	30.3	Very low	28.4	Very low	162 Å²	162	150.3 Å²	150.3	75%	0.75	79%	0.793	S	S	*	*			trans	-153.7	120.7	157.6	-137.5	-84.3	0	0	0	111.4
556	N	32	Very low	28.4	Very low	150 Å²	150	153.1 Å²	153.1	80%	0.802	80%	0.798	S	S	*	*			trans	146.3	86.7	141.3	-69.7	-20.2	0	0	0	111.7
557	K	28.4	Very low	28.3	Very low	201 Å²	201	158.2 Å²	158.2	87%	0.874	80%	0.804	S	S	*	*			trans	-96.3	134.2	164.6	-159.9	179.7	-167.8	178.7	0	106.3
558	E	28.9	Very low	28.2	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	79%	0.791	S	S	*	*			trans	153.5	98.6	145.5	-86	178.1	-168	0	0	110.9
559	I	31.9	Very low	28.3	Very low	173 Å²	173	155.9 Å²	155.9	89%	0.887	80%	0.795	S	S	*	*			trans	-126.7	122.5	148.5	-65.6	-177.2	0	0	0	106.8
560	F	30.7	Very low	28.3	Very low	183 Å²	183	153.6 Å²	153.6	80%	0.803	79%	0.789	S	S	*	*			trans	-49.5	131.8	-179.7	-107.3	-111.9	0	0	0	113.8
561	N	24.4	Very low	28.5	Very low	159 Å²	159	155 Å²	155	85%	0.85	79%	0.792	S	S	*	*			trans	-81.8	135.4	158.1	-90.2	-40.4	0	0	0	109.2
562	L	31.4	Very low	28.6	Very low	167 Å²	167	150.5 Å²	150.5	87%	0.874	78%	0.782	S	S	*	*			trans	-130.5	121.4	151.9	-129.8	158.3	0	0	0	108.8
563	K	29.5	Very low	28.8	Very low	155 Å²	155	147.4 Å²	147.4	67%	0.674	78%	0.777	S	S	*	*			trans	-73.2	143.9	-174.2	-176.6	126.1	171.9	174	0	110.3
564	D	32.2	Very low	29	Very low	152 Å²	152	149.7 Å²	149.7	81%	0.813	78%	0.782	S	S	*	*				-173.5	131.8	111.6	-93.5	-32.8	0	0	0	113.1
565	S	27	Very low	29.1	Very low	87 Å²	87	149 Å²	149	61%	0.608	78%	0.777	S	S	*	*			trans	-69.6	148.1	174.6	-52	0	0	0	0	110.8
566	F	28.7	Very low	29.2	Very low	219 Å²	219	151.4 Å²	151.4	96%	0.961	79%	0.786	S	S	*	*			trans	-159	152.3	130.1	-106.1	-74.2	0	0	0	110.6
567	Q	27.1	Very low	29	Very low	174 Å²	174	155 Å²	155	81%	0.813	79%	0.788	S	S	*	*			trans	-115.2	151	-145.6	-149.4	175.2	-21.2	0	0	110.9
568	S	25.4	Very low	29.3	Very low	87 Å²	87	151.9 Å²	151.9	61%	0.608	79%	0.786	S	S	*	*			trans	80.5	149	140.4	91.6	0	0	0	0	123.5
569	N	29.2	Very low	29.6	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	78%	0.784	S	S	*	*			trans	105.1	97.4	157	-54.9	-11.5	0	0	0	113.3
570	S	26.1	Very low	29.5	Very low	89 Å²	89	147.3 Å²	147.3	62%	0.622	78%	0.778	S	S	*	*				104.3	126	54.2	60.1	0	0	0	0	111.3
571	E	29	Very low	29.5	Very low	175 Å²	175	143.8 Å²	143.8	82%	0.818	77%	0.773	S	S	*	*			trans	65	147	146.7	-65.8	-179.3	139.7	0	0	119
572	T	30.3	Very low	29.7	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	77%	0.771	S	S	*	*			cis	-168.7	155.1	-8.7	18.5	0	0	0	0	106.2
573	A	28.2	Very low	29.7	Very low	86 Å²	86	145.6 Å²	145.6	71%	0.711	77%	0.768	S	S	*	*			trans	54.3	116.4	154.4	0	0	0	0	0	120.1
574	D	31.3	Very low	29.7	Very low	161 Å²	161	149.8 Å²	149.8	86%	0.861	78%	0.781	S	S	*	*				-171.2	150.4	95.3	-107	-27.4	0	0	0	114.3
575	T	29.4	Very low	29.7	Very low	111 Å²	111	147.5 Å²	147.5	68%	0.681	78%	0.777	S	S	*	*			trans	-91	126.6	-167.8	-55.2	0	0	0	0	110.3
576	F	32.5	Very low	29.9	Very low	213 Å²	213	152.9 Å²	152.9	93%	0.934	79%	0.79	S	S	*	*			trans	-150.5	120.6	146.2	-101.8	-75.6	0	0	0	112.5
577	R	27.4	Very low	30.3	Very low	224 Å²	224	148 Å²	148	85%	0.845	78%	0.777	S	S	*	*			trans	-53.7	144.9	174.2	-69.7	171.8	161.1	-173.3	-4.5	112.5
578	T	35	Very low	30.7	Very low	136 Å²	136	150.6 Å²	150.6	83%	0.834	78%	0.78	S	S	*	*				-159.2	111	127.2	29.1	0	0	0	0	111.3
579	S	35.1	Very low	31.3	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	78%	0.778	S	S	*	*			trans	45.8	107.9	140.1	55.3	0	0	0	0	122.3
580	L	29.8	Very low	31.6	Very low	143 Å²	143	155.3 Å²	155.3	75%	0.749	79%	0.792	S	S	*	*			trans	-29.1	165.3	141.8	-84.7	146	0	0	0	116
581	P	31.2	Very low	31.9	Very low	109 Å²	109	154.9 Å²	154.9	71%	0.708	79%	0.794	S	S	*	*			cis	-148.1	149.1	33.3	34	-9.6	0	0	0	119.9
582	R	27.6	Very low	32.5	Very low	214 Å²	214	152.8 Å²	152.8	81%	0.808	79%	0.794	S	S	*	*				51.4	99.8	118.3	-148.3	-176.7	-68.8	175.3	-2.6	118.3
583	N	31.6	Very low	32.9	Very low	149 Å²	149	155.1 Å²	155.1	80%	0.797	80%	0.8	S	S	*	*			trans	-166.1	92.7	143.2	-118.9	-31.1	0	0	0	112.1
584	Y	30.1	Very low	33.3	Very low	244 Å²	244	163.1 Å²	163.1	96%	0.957	81%	0.813	S	S	*	*			trans	-146.5	92.2	155.2	-102.4	-83.4	0	0	0	107.5
585	S	32	Very low	33.6	Very low	104 Å²	104	167.2 Å²	167.2	73%	0.727	82%	0.816	S	S	*	*			trans	-85.1	108.5	167.9	67.7	0	0	0	0	109.3
586	F	29.8	Very low	34	Very low	199 Å²	199	173.6 Å²	173.6	87%	0.873	83%	0.827	S	S	*	*			trans	-62.4	128.3	136	-99.5	-104	0	0	0	107
587	V	38.1	Very low	34.3	Very low	116 Å²	116	173.2 Å²	173.2	70%	0.703	83%	0.825	S	S	*	*			trans	159.5	106	149.5	161.7	0	0	0	0	111.1
588	R	36.2	Very low	35.1	Very low	229 Å²	229	169.3 Å²	169.3	86%	0.864	83%	0.827	S	S	*	*			trans	72.1	159.2	140.1	-71.9	-177.7	-170	-156.6	2.7	121.3
589	P	38.1	Very low	35.2	Very low	88 Å²	88	173 Å²	173	57%	0.571	83%	0.831	S	S	*	*			cis	-135.8	141	-7.3	22.3	1.6	0	0	0	115.7	A591	P589-A591 HydrophobicContact CB-CB 3.97Å; P589-A591 PolarHBondContact O-N 2.99Å
590	F	34.3	Very low	35.6	Very low	239 Å²	239	173.7 Å²	173.7	100%	1.048	84%	0.836	S	S	*	*			trans	-69.5	44.1	162.2	-101.2	-87.2	0	0	0	113.4
591	A	33.9	Very low	36	Very low	81 Å²	81	170.2 Å²	170.2	67%	0.669	84%	0.835	S	S	*	*			trans	-123.1	14.3	-170.1	0	0	0	0	0	116.6	P589	P589-A591 HydrophobicContact CB-CB 3.97Å; P589-A591 PolarHBondContact O-N 2.99Å
592	T	40.2	Very low	36.5	Very low	131 Å²	131	177.2 Å²	177.2	80%	0.804	85%	0.847	S	S	*	*	S	Bend	trans	-118.5	6.3	-176.4	35.3	0	0	0	0	116.7
593	L	38.3	Very low	37.1	Very low	167 Å²	167	170.5 Å²	170.5	87%	0.874	84%	0.844	S	S	*	*	S	Bend	trans	-114.5	8.6	-174.2	-136.9	91.3	0	0	0	117.7
594	W	37.2	Very low	37.7	Very low	255 Å²	255	173.2 Å²	173.2	97%	0.966	85%	0.849	S	S	*	*	S	Bend	trans	-121.3	14.7	-178.5	-107.8	84	0	0	0	116.8
595	R	38.6	Very low	38.2	Very low	247 Å²	247	165.5 Å²	165.5	93%	0.932	84%	0.836	S	S	*	*			trans	-119.9	37.9	-178.6	-135.6	-167.6	-85.2	-151.5	0.8	115.6
596	R	37.6	Very low	39.1	Very low	244 Å²	244	167.8 Å²	167.8	92%	0.921	84%	0.84	S	S	*	*			trans	-136.8	76.9	170.5	-90.3	-173.5	-178.2	168.1	1.4	111.9
597	K	38.9	Very low	39.8	Very low	205 Å²	205	163 Å²	163	89%	0.891	83%	0.831	S	S	*	*			trans	-172	55.3	152.3	-121.9	177	178.9	-177.9	0	114.8
598	T	43.5	Very low	40.3	Very low	143 Å²	143	167.4 Å²	167.4	88%	0.877	84%	0.841	S	S	*	*			trans	-143.9	62	158.2	50.4	0	0	0	0	110.1
599	K	37.4	Very low	40.9	Very low	213 Å²	213	169.2 Å²	169.2	93%	0.926	86%	0.859	S	S	*	*			trans	-132.8	90	158.4	-100.7	-174.2	176.3	-178.8	0	107.1
600	S	43	Very low	41.1	Very low	128 Å²	128	173.3 Å²	173.3	90%	0.895	87%	0.874	S	S	*	*			trans	-156	120.6	160.1	-170.4	0	0	0	0	108.2
601	G	38.1	Very low	41.4	Very low	70 Å²	70	169.8 Å²	169.8	72%	0.722	87%	0.865	S	S	*	*			trans	102.1	81.6	156.2	0	0	0	0	0	117.7
602	R	41.5	Very low	41.8	Very low	255 Å²	255	174.8 Å²	174.8	96%	0.962	88%	0.875	S	S	*	*			trans	171.2	97.6	134.9	-96.1	172.9	-174.2	-164.7	1.7	106.6
603	G	41.8	Very low	41.9	Very low	73 Å²	73	177.4 Å²	177.4	75%	0.753	88%	0.88	S	S	*	*				94	86.7	92.2	0	0	0	0	0	108
604	K	42.7	Very low	42.2	Very low	207 Å²	207	178 Å²	178	90%	0.9	88%	0.88	S	S	*	*				35.5	98.4	110.1	-81.5	-174.1	174.9	-178.5	0	111.8
605	A	41.8	Very low	42.5	Very low	81 Å²	81	172.9 Å²	172.9	67%	0.669	87%	0.874	S	S	*	*				66.8	104.4	91.2	0	0	0	0	0	111.2
606	D	49.3	Very low	42.8	Very low	152 Å²	152	167.6 Å²	167.6	81%	0.813	87%	0.87	S	S	*	*				173.4	146.8	106.7	-89.6	-29.4	0	0	0	112.7
607	S	45	Very low	43.2	Very low	100 Å²	100	161.7 Å²	161.7	70%	0.699	87%	0.866	S	S	*	*			trans	65.9	116.6	148	64.1	0	0	0	0	121.5
608	K	48.6	Very low	43.5	Very low	207 Å²	207	158.1 Å²	158.1	90%	0.9	86%	0.864	S	S	*	*				52.8	106.2	129.6	-64.4	178.8	176.1	-179.3	0	117.2
609	Q	49.6	Very low	43.5	Very low	268 Å²	268	159.5 Å²	159.5	100%	1.252	86%	0.863	S	S	*	*				-171.5	0	90.7	-158.6	158.7	-0.4	0	0	109.8

Retrieved 609 of 609 residues in 482.5 ms (Link to these results)

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