A0A3B3UNG0_9TELE Loading...

GPI-anchor transamidase component GPAA1

Component of the glycosylphosphatidylinositol-anchor (GPI-anchor) transamidase (GPI-T) complex that catalyzes the formation of the linkage between a proprotein and a GPI-anchor and participates in GPI anchored protein biosynthesis. Binds GPI-anchor.

AlphaFold DB , UniProt , Accession A0A3B3UNG0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 615 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	61	Low	239 Å²	239	126.4 Å²	126.4	100%	1.177	64%	0.642	S	S	*	*				0	0.1	0	-73.1	-143.6	-154.8	0	0	115.3
2	G	49	Very low	62.1	Low	50 Å²	50	120.8 Å²	120.8	52%	0.515	63%	0.63	S	S	.	*			trans	-94.2	9.3	-176	0	0	0	0	0	117.5
3	L	45.2	Very low	63	Low	127 Å²	127	117.9 Å²	117.9	67%	0.665	62%	0.615	S	S	*	*	S	Bend	trans	-90.3	-21.6	-176.8	-107.8	143.8	0	0	0	113.6
4	L	51.1	Low	64	Low	137 Å²	137	112.4 Å²	112.4	72%	0.717	59%	0.586	S	S	*	*	S	Bend	trans	-106.2	-8.7	-176.4	-69.6	168.9	0	0	0	114
5	S	58	Low	64.8	Low	94 Å²	94	111.5 Å²	111.5	66%	0.657	58%	0.582	S	S	*	*	S	Bend	trans	-88.1	-18.5	-174.4	54.6	0	0	0	0	114.4
6	D	70.1	Confident	65.5	Low	59 Å²	59	110.4 Å²	110.4	32%	0.316	58%	0.577	S	S	.	*			trans	-98.4	112.6	-174.8	-165.1	-3.1	0	0	0	110.2	N8 R9 R10	D6-N8 VanDerWaalsContact C-N 3.27Å; D6-N8 PolarHBondContact O-N 2.71Å; D6-R9 HydrophobicContact CB-CB 4.12Å; D6-R9 HydrophobicContact CB-CG 4.06Å; D6-R9 PolarHBondContact O-N 3.41Å; D6-R9 VanDerWaalsContact O-N 3.16Å; D6-R9 WeakPolarHBondContact OD2-CD 3.21Å; D6-R9 IonicContact OD2-NE 2.66Å; D6-R9 PolarHBondContact OD2-NE 3.48Å; D6-R9 VanDerWaalsContact OD2-NE 3.17Å; D6-R10 PolarHBondContact O-N 2.92Å
7	P	69.7	Low	66.1	Low	91 Å²	91	108.1 Å²	108.1	59%	0.591	56%	0.564	S	S	*	*	H	α-helix	trans	-62.7	-31.2	-169.1	22.7	-33.4	0	0	0	113.4	R11	P7-R11 WeakPolarHBondContact O-CB 3.49Å; P7-R11 PolarHBondContact O-N 2.8Å
8	N	69.8	Low	66.7	Low	119 Å²	119	104.5 Å²	104.5	64%	0.636	55%	0.548	S	S	*	.	H	α-helix	trans	-72.5	-40.8	177.4	-70.9	-25.4	0	0	0	111.7	D6 R11 A12	D6-N8 VanDerWaalsContact C-N 3.27Å; D6-N8 PolarHBondContact O-N 2.71Å; N8-R11 PolarHBondContact O-N 3.46Å; N8-A12 WeakPolarHBondContact O-CB 3.48Å; N8-A12 PolarHBondContact O-N 2.96Å
9	R	69.3	Low	67.5	Low	154 Å²	154	109.9 Å²	109.9	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-68.6	-38.1	175.1	-63.4	-177	-175.3	-161.1	-6.4	111.4	D6 A12 L13	D6-R9 HydrophobicContact CB-CB 4.12Å; D6-R9 HydrophobicContact CB-CG 4.06Å; D6-R9 PolarHBondContact O-N 3.41Å; D6-R9 VanDerWaalsContact O-N 3.16Å; D6-R9 WeakPolarHBondContact OD2-CD 3.21Å; D6-R9 IonicContact OD2-NE 2.66Å; D6-R9 PolarHBondContact OD2-NE 3.48Å; D6-R9 VanDerWaalsContact OD2-NE 3.17Å; R9-A12 PolarHBondContact O-N 3.32Å; R9-L13 WeakPolarHBondContact O-CB 3.48Å; R9-L13 PolarHBondContact O-N 3.33Å
10	R	71.6	Confident	68.4	Low	145 Å²	145	108.1 Å²	108.1	55%	0.547	55%	0.551	S	S	.	*	H	α-helix	trans	-59.1	-46.7	172.6	-178	178.2	176.3	-120.2	-1	111.3	D6 L13 I14	D6-R10 PolarHBondContact O-N 2.92Å; R10-L13 PolarHBondContact O-N 2.89Å; R10-I14 HydrophobicContact CG-CD1 3.86Å; R10-I14 WeakPolarHBondContact O-CB 3.18Å; R10-I14 WeakPolarHBondContact O-CD1 3.19Å; R10-I14 WeakPolarHBondContact O-CG1 3.12Å; R10-I14 PolarHBondContact O-N 2.75Å
11	R	72.5	Confident	69.3	Low	175 Å²	175	103 Å²	103	66%	0.66	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-39.8	178.2	-166.4	178	-78.3	173.1	-5.2	112.1	P7 N8 I14 N15	P7-R11 WeakPolarHBondContact O-CB 3.49Å; P7-R11 PolarHBondContact O-N 2.8Å; N8-R11 PolarHBondContact O-N 3.46Å; R11-I14 PolarHBondContact O-N 2.76Å; R11-N15 WeakPolarHBondContact O-CB 3.29Å; R11-N15 VanDerWaalsContact O-CG 3.24Å; R11-N15 PolarHBondContact O-N 2.59Å
12	A	73.6	Confident	71.2	Confident	60 Å²	60	94.1 Å²	94.1	50%	0.496	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-42.7	174.2	0	0	0	0	0	112.4	N8 R9 N15 L16	N8-A12 WeakPolarHBondContact O-CB 3.48Å; N8-A12 PolarHBondContact O-N 2.96Å; R9-A12 PolarHBondContact O-N 3.32Å; A12-N15 PolarHBondContact O-N 3.48Å; A12-L16 WeakPolarHBondContact O-CB 3.35Å; A12-L16 PolarHBondContact O-N 2.87Å
13	L	73.8	Confident	73.2	Confident	83 Å²	83	95.1 Å²	95.1	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-43.1	176.3	-168	85.1	0	0	0	111.6	R9 R10 L16 L17	R9-L13 WeakPolarHBondContact O-CB 3.48Å; R9-L13 PolarHBondContact O-N 3.33Å; R10-L13 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 3.11Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 PolarHBondContact O-N 3.29Å
14	I	77.1	Confident	75.4	Confident	41 Å²	41	92.2 Å²	92.2	21%	0.21	47%	0.472	C	S	.	.	H	α-helix	trans	-61.6	-47.3	176.3	-71.2	166.9	0	0	0	110.3	R10 R11 L16 L17 T18 V394	R10-I14 HydrophobicContact CG-CD1 3.86Å; R10-I14 WeakPolarHBondContact O-CB 3.18Å; R10-I14 WeakPolarHBondContact O-CD1 3.19Å; R10-I14 WeakPolarHBondContact O-CG1 3.12Å; R10-I14 PolarHBondContact O-N 2.75Å; R11-I14 PolarHBondContact O-N 2.76Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 2.9Å; I14-L17 PolarHBondContact O-N 3.02Å; I14-T18 WeakPolarHBondContact O-CG2 3.23Å; I14-T18 PolarHBondContact O-N 2.83Å; I14-T18 PolarHBondContact O-OG1 2.67Å; I14-V394 HydrophobicContact CG2-CB 4.47Å; I14-V394 HydrophobicContact CG2-CG1 3.35Å; I14-V394 HydrophobicContact CG2-CG2 4.27Å
15	N	75.8	Confident	77.4	Confident	98 Å²	98	86 Å²	86	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-65	-34.3	178.3	-71.7	-9.4	0	0	0	112.9	R11 A12 T18 R19	R11-N15 WeakPolarHBondContact O-CB 3.29Å; R11-N15 VanDerWaalsContact O-CG 3.24Å; R11-N15 PolarHBondContact O-N 2.59Å; A12-N15 PolarHBondContact O-N 3.48Å; N15-T18 WeakPolarHBondContact CA-OG1 3.17Å; N15-T18 PolarHBondContact O-OG1 3.35Å; N15-T18 VanDerWaalsContact O-OG1 3.09Å; N15-R19 VanDerWaalsContact O-CB 3.29Å; N15-R19 WeakPolarHBondContact O-CB 3.29Å; N15-R19 PolarHBondContact O-N 2.69Å; N15-R19 VanDerWaalsContact O-N 3.15Å
16	L	76.9	Confident	79	Confident	95 Å²	95	83.5 Å²	83.5	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-67	-43.6	173.6	-176.6	67.2	0	0	0	110.9	A12 L13 I14 R19 L20	A12-L16 WeakPolarHBondContact O-CB 3.35Å; A12-L16 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.11Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 2.9Å; L16-R19 PolarHBondContact O-N 2.84Å; L16-L20 HydrophobicContact CD1-CD1 3.72Å; L16-L20 HydrophobicContact CD1-CG 4.19Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 2.88Å
17	L	75.3	Confident	80.3	Confident	70 Å²	70	86.4 Å²	86.4	37%	0.366	44%	0.44	S	S	.	.	H	α-helix	trans	-67.2	-41.2	-178.8	-167.8	141.9	0	0	0	112	L13 I14 N21	L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 PolarHBondContact O-N 3.29Å; I14-L17 PolarHBondContact O-N 3.02Å; L17-N21 WeakPolarHBondContact O-CB 3.47Å; L17-N21 PolarHBondContact O-N 3.37Å
18	T	77.4	Confident	81.5	Confident	44 Å²	44	82.9 Å²	82.9	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-40.7	174.8	56.1	0	0	0	0	111.8	I14 N15 N21 D391 V394	I14-T18 WeakPolarHBondContact O-CG2 3.23Å; I14-T18 PolarHBondContact O-N 2.83Å; I14-T18 PolarHBondContact O-OG1 2.67Å; N15-T18 WeakPolarHBondContact CA-OG1 3.17Å; N15-T18 PolarHBondContact O-OG1 3.35Å; N15-T18 VanDerWaalsContact O-OG1 3.09Å; T18-N21 WeakPolarHBondContact O-CB 3.44Å; T18-N21 PolarHBondContact O-N 2.63Å; T18-D391 WeakPolarHBondContact CG2-OD1 3.39Å; T18-V394 HydrophobicContact CG2-CG1 4.04Å
19	R	81.8	Confident	82.8	Confident	207 Å²	207	80.1 Å²	80.1	78%	0.781	40%	0.398	S	S	*	.	H	α-helix	trans	-66.7	-40.2	177.5	-173.2	177.9	179	-176	0	112.8	N15 L16	N15-R19 VanDerWaalsContact O-CB 3.29Å; N15-R19 WeakPolarHBondContact O-CB 3.29Å; N15-R19 PolarHBondContact O-N 2.69Å; N15-R19 VanDerWaalsContact O-N 3.15Å; L16-R19 PolarHBondContact O-N 2.84Å
20	L	85.5	Confident	84.1	Confident	73 Å²	73	79.2 Å²	79.2	38%	0.382	40%	0.399	S	S	.	.	H	α-helix	trans	-86.9	-4.1	-179.7	-65.1	178.3	0	0	0	113.4	L16 A22 P23 I24	L16-L20 HydrophobicContact CD1-CD1 3.72Å; L16-L20 HydrophobicContact CD1-CG 4.19Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 2.88Å; L20-A22 PolarHBondContact O-N 3.13Å; L20-P23 HydrophobicContact CD2-CG 4.31Å; L20-P23 WeakPolarHBondContact O-CD 3.39Å; L20-P23 VanDerWaalsContact O-CG 3.24Å; L20-P23 WeakPolarHBondContact O-CG 3.43Å; L20-I24 HydrophobicContact CB-CD1 3.7Å; L20-I24 HydrophobicContact CB-CG1 4.26Å; L20-I24 WeakPolarHBondContact O-CB 3.38Å; L20-I24 WeakPolarHBondContact O-CD1 3.47Å; L20-I24 WeakPolarHBondContact O-CG1 3.38Å; L20-I24 PolarHBondContact O-N 2.62Å
21	N	86.4	Confident	85.3	Confident	3 Å²	3	74 Å²	74	2%	0.016	39%	0.387	C	S	.	.	H	α-helix	trans	-56.9	-50.7	-176.6	-171.5	17.3	0	0	0	112.5	L17 T18 I24 C25 L387 D391	L17-N21 WeakPolarHBondContact O-CB 3.47Å; L17-N21 PolarHBondContact O-N 3.37Å; T18-N21 WeakPolarHBondContact O-CB 3.44Å; T18-N21 PolarHBondContact O-N 2.63Å; N21-I24 PolarHBondContact O-N 2.96Å; N21-C25 WeakPolarHBondContact O-CB 3.49Å; N21-C25 PolarHBondContact O-N 3.49Å; N21-C25 PolarHBondContact O-SG 3.28Å; N21-C25 PolarHBondContact OD1-SG 3.23Å; N21-L387 WeakPolarHBondContact OD1-CB 3.16Å; N21-D391 WeakPolarHBondContact ND2-CB 3.25Å; N21-D391 VanDerWaalsContact ND2-CG 3.25Å; N21-D391 PolarHBondContact ND2-OD2 3.09Å
22	A	85.9	Confident	86.5	Confident	51 Å²	51	65.7 Å²	65.7	42%	0.421	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-50	-178.9	0	0	0	0	0	114.2	L20 C25 A26	L20-A22 PolarHBondContact O-N 3.13Å; A22-C25 PolarHBondContact O-N 2.91Å; A22-A26 PolarHBondContact O-N 3.2Å
23	P	90	Very high	87.6	Confident	72 Å²	72	65 Å²	65	47%	0.468	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-35.7	177	23.6	-32.8	0	0	0	112.8	L20 A26 L27	L20-P23 HydrophobicContact CD2-CG 4.31Å; L20-P23 WeakPolarHBondContact O-CD 3.39Å; L20-P23 VanDerWaalsContact O-CG 3.24Å; L20-P23 WeakPolarHBondContact O-CG 3.43Å; P23-A26 PolarHBondContact O-N 2.93Å; P23-L27 WeakPolarHBondContact O-CB 3.37Å; P23-L27 PolarHBondContact O-N 3.03Å
24	I	91.4	Very high	88.6	Confident	65 Å²	65	65 Å²	65	33%	0.333	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-44.8	174.5	-66.7	167.1	0	0	0	110.2	L20 N21 A26 L27 C28 L387	L20-I24 HydrophobicContact CB-CD1 3.7Å; L20-I24 HydrophobicContact CB-CG1 4.26Å; L20-I24 WeakPolarHBondContact O-CB 3.38Å; L20-I24 WeakPolarHBondContact O-CD1 3.47Å; L20-I24 WeakPolarHBondContact O-CG1 3.38Å; L20-I24 PolarHBondContact O-N 2.62Å; N21-I24 PolarHBondContact O-N 2.96Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 3.19Å; I24-L27 PolarHBondContact O-N 3.3Å; I24-C28 WeakPolarHBondContact O-CB 3.41Å; I24-C28 PolarHBondContact O-N 3.32Å; I24-C28 PolarHBondContact O-SG 2.69Å; I24-L387 HydrophobicContact CG2-CD1 3.59Å
25	C	92.8	Very high	89.5	Confident	7 Å²	7	67.7 Å²	67.7	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-45	176.9	-71.6	0	0	0	0	112	N21 A22 C28 Y29 I384	N21-C25 WeakPolarHBondContact O-CB 3.49Å; N21-C25 PolarHBondContact O-N 3.49Å; N21-C25 PolarHBondContact O-SG 3.28Å; N21-C25 PolarHBondContact OD1-SG 3.23Å; A22-C25 PolarHBondContact O-N 2.91Å; C25-C28 PolarHBondContact O-N 2.93Å; C25-Y29 PolarHBondContact O-N 2.89Å; C25-I384 HydrophobicContact CB-CG1 4.43Å; C25-I384 HydrophobicContact CB-CG2 3.96Å; C25-I384 WeakPolarHBondContact O-CD1 3.46Å
26	A	93.3	Very high	90.5	Very high	41 Å²	41	63.3 Å²	63.3	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-45.8	177.3	0	0	0	0	0	111.4	A22 P23 I24 C28 Y29 F30	A22-A26 PolarHBondContact O-N 3.2Å; P23-A26 PolarHBondContact O-N 2.93Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 3.19Å; A26-C28 PolarHBondContact O-N 2.84Å; A26-Y29 PolarHBondContact O-N 2.96Å; A26-F30 WeakPolarHBondContact O-CD2 3.31Å; A26-F30 PolarHBondContact O-N 3.02Å
27	L	95.8	Very high	91.3	Very high	121 Å²	121	62 Å²	62	63%	0.634	33%	0.327	S	S	*	.	H	α-helix	trans	-59.5	-46.1	176.5	-179.6	65.1	0	0	0	111.5	P23 I24 Y29 F30 A31	P23-L27 WeakPolarHBondContact O-CB 3.37Å; P23-L27 PolarHBondContact O-N 3.03Å; I24-L27 PolarHBondContact O-N 3.3Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 3.44Å; L27-F30 PolarHBondContact O-N 3.45Å; L27-A31 WeakPolarHBondContact O-CB 3.29Å; L27-A31 PolarHBondContact O-N 3.36Å
28	C	96.2	Very high	92.2	Very high	17 Å²	17	59.1 Å²	59.1	12%	0.115	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-39.9	176.5	-73.3	0	0	0	0	112	I24 C25 A26 G32 I384	I24-C28 WeakPolarHBondContact O-CB 3.41Å; I24-C28 PolarHBondContact O-N 3.32Å; I24-C28 PolarHBondContact O-SG 2.69Å; C25-C28 PolarHBondContact O-N 2.93Å; A26-C28 PolarHBondContact O-N 2.84Å; C28-G32 PolarHBondContact O-N 2.91Å; C28-I384 HydrophobicContact CB-CD1 4.13Å; C28-I384 HydrophobicContact CB-CG1 3.81Å
29	Y	96.7	Very high	92.9	Very high	61 Å²	61	57 Å²	57	24%	0.239	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-53.9	178.7	-174	-92.6	0	0	0	111.3	C25 A26 L27 A31 G32 V33 L381 I384 L520 P524	C25-Y29 PolarHBondContact O-N 2.89Å; A26-Y29 PolarHBondContact O-N 2.96Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 3.44Å; Y29-A31 VanDerWaalsContact C-N 3.34Å; Y29-A31 PolarHBondContact O-N 2.93Å; Y29-G32 PolarHBondContact O-N 3.35Å; Y29-V33 HydrophobicContact CD1-CG2 4.29Å; Y29-V33 HydrophobicContact CE1-CG2 3.96Å; Y29-V33 WeakPolarHBondContact O-CG2 3.42Å; Y29-V33 PolarHBondContact O-N 2.85Å; Y29-L381 HydrophobicContact CD2-CD2 3.53Å; Y29-L381 HydrophobicContact CE2-CD2 3.98Å; Y29-L381 HydrophobicContact CG-CD2 4.23Å; Y29-I384 HydrophobicContact CD2-CD1 4.25Å; Y29-L520 PolarHBondContact OH-O 2.89Å; Y29-P524 HydrophobicContact CD2-CG 4.2Å; Y29-P524 HydrophobicContact CE2-CG 3.48Å; Y29-P524 VanDerWaalsContact CE2-CG 3.48Å
30	F	96.8	Very high	93.3	Very high	135 Å²	135	47.2 Å²	47.2	59%	0.592	27%	0.265	S	S	*	.	H	α-helix	trans	-63.9	-39.8	178.8	-70.7	-65.5	0	0	0	111.9	A26 L27 G32 V33 C34	A26-F30 WeakPolarHBondContact O-CD2 3.31Å; A26-F30 PolarHBondContact O-N 3.02Å; L27-F30 PolarHBondContact O-N 3.45Å; F30-G32 VanDerWaalsContact C-N 3.33Å; F30-G32 PolarHBondContact O-N 3.47Å; F30-V33 PolarHBondContact O-N 2.66Å; F30-C34 VanDerWaalsContact O-CB 3.25Å; F30-C34 WeakPolarHBondContact O-CB 3.42Å; F30-C34 PolarHBondContact O-N 3.39Å; F30-C34 PolarHBondContact O-SG 2.86Å
31	A	97.3	Very high	93.5	Very high	36 Å²	36	48.5 Å²	48.5	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-41.8	174.6	0	0	0	0	0	111.6	L27 Y29 W35 L380	L27-A31 WeakPolarHBondContact O-CB 3.29Å; L27-A31 PolarHBondContact O-N 3.36Å; Y29-A31 VanDerWaalsContact C-N 3.34Å; Y29-A31 PolarHBondContact O-N 2.93Å; A31-W35 WeakPolarHBondContact O-CB 3.45Å; A31-W35 PolarHBondContact O-N 3.17Å; A31-L380 HydrophobicContact CB-CD1 3.99Å
32	G	96.8	Very high	93.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-45.8	176.7	0	0	0	0	0	112.6	C28 Y29 F30 W35 F36 A377	C28-G32 PolarHBondContact O-N 2.91Å; Y29-G32 PolarHBondContact O-N 3.35Å; F30-G32 VanDerWaalsContact C-N 3.33Å; F30-G32 PolarHBondContact O-N 3.47Å; G32-W35 PolarHBondContact O-N 3.41Å; G32-F36 PolarHBondContact O-N 3.26Å; G32-A377 WeakPolarHBondContact O-CB 3.25Å
33	V	96.3	Very high	93.5	Very high	45 Å²	45	54.3 Å²	54.3	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-50.7	176.3	175.7	0	0	0	0	111.1	Y29 F30 W35 F36 M37 L520	Y29-V33 HydrophobicContact CD1-CG2 4.29Å; Y29-V33 HydrophobicContact CE1-CG2 3.96Å; Y29-V33 WeakPolarHBondContact O-CG2 3.42Å; Y29-V33 PolarHBondContact O-N 2.85Å; F30-V33 PolarHBondContact O-N 2.66Å; V33-W35 VanDerWaalsContact C-N 3.3Å; V33-W35 PolarHBondContact O-N 2.91Å; V33-F36 PolarHBondContact O-N 3.35Å; V33-M37 WeakPolarHBondContact O-CG 3.35Å; V33-M37 PolarHBondContact O-N 3.34Å; V33-L520 HydrophobicContact CG2-CD2 3.6Å
34	C	95.9	Very high	93.3	Very high	84 Å²	84	54 Å²	54	57%	0.568	29%	0.287	S	S	*	.	H	α-helix	trans	-62	-38.1	179.2	-70.7	0	0	0	0	112	F30 G38	F30-C34 VanDerWaalsContact O-CB 3.25Å; F30-C34 WeakPolarHBondContact O-CB 3.42Å; F30-C34 PolarHBondContact O-N 3.39Å; F30-C34 PolarHBondContact O-SG 2.86Å; C34-G38 PolarHBondContact O-N 3.27Å
35	W	96.3	Very high	93.3	Very high	97 Å²	97	51.5 Å²	51.5	37%	0.367	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-46.6	175	-172.4	-79.9	0	0	0	111.1	A31 G32 V33 G38 L39 F44 Y373 P376 A377	A31-W35 WeakPolarHBondContact O-CB 3.45Å; A31-W35 PolarHBondContact O-N 3.17Å; G32-W35 PolarHBondContact O-N 3.41Å; V33-W35 VanDerWaalsContact C-N 3.3Å; V33-W35 PolarHBondContact O-N 2.91Å; W35-G38 WeakPolarHBondContact O-CA 3.32Å; W35-G38 PolarHBondContact O-N 3.35Å; W35-G38 VanDerWaalsContact O-N 3.09Å; W35-L39 WeakPolarHBondContact O-CG 3.36Å; W35-L39 PolarHBondContact O-N 3.29Å; W35-F44 AromaticContact CH2-CE1 3.98Å; W35-F44 HydrophobicContact CH2-CE1 3.98Å; W35-F44 HydrophobicContact CH2-CZ 4.42Å; W35-F44 HydrophobicContact CZ2-CE1 4.07Å; W35-Y373 PolarHBondContact NE1-O 2.86Å; W35-P376 HydrophobicContact CZ2-CB 4.41Å; W35-A377 HydrophobicContact CB-CB 4.44Å; W35-A377 HydrophobicContact CG-CB 4.5Å
36	F	96.1	Very high	93.2	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-45.4	178.5	-169.4	-105.4	0	0	0	112.6	G32 V33 G38 L39 M290 M291 V294 L361 A377 F512 F516	G32-F36 PolarHBondContact O-N 3.26Å; V33-F36 PolarHBondContact O-N 3.35Å; F36-G38 PolarHBondContact O-N 3.03Å; F36-L39 HydrophobicContact CD2-CD1 3.45Å; F36-L39 VanDerWaalsContact CD2-CD1 3.45Å; F36-L39 HydrophobicContact CE2-CD1 3.75Å; F36-L39 HydrophobicContact CG-CD1 4.23Å; F36-L39 VanDerWaalsContact O-CB 3.3Å; F36-L39 WeakPolarHBondContact O-CB 3.5Å; F36-L39 VanDerWaalsContact O-CG 3.29Å; F36-L39 WeakPolarHBondContact O-CG 3.41Å; F36-L39 PolarHBondContact O-N 3.46Å; F36-L39 VanDerWaalsContact O-N 3.14Å; F36-M290 HydrophobicContact CE1-CE 4.22Å; F36-M290 HydrophobicContact CZ-CE 4.33Å; F36-M291 HydrophobicContact CD1-CE 3.72Å; F36-M291 HydrophobicContact CE1-CE 3.41Å; F36-M291 VanDerWaalsContact CE1-CE 3.41Å; F36-M291 HydrophobicContact CE1-SD 3.86Å; F36-V294 HydrophobicContact CZ-CG2 3.87Å; F36-L361 HydrophobicContact CE2-CD1 4.01Å; F36-L361 HydrophobicContact CZ-CD1 4.2Å; F36-A377 HydrophobicContact CB-CB 3.88Å; F36-A377 HydrophobicContact CD2-CB 4.19Å; F36-F512 HydrophobicContact CD2-CZ 4.24Å; F36-F512 AromaticContact CE2-CE1 3.67Å; F36-F512 HydrophobicContact CE2-CE1 3.67Å; F36-F512 AromaticContact CE2-CZ 3.84Å; F36-F512 HydrophobicContact CE2-CZ 3.84Å; F36-F512 HydrophobicContact CZ-CE1 4.35Å; F36-F516 HydrophobicContact CB-CE1 4.13Å; F36-F516 HydrophobicContact CB-CE2 4.19Å; F36-F516 HydrophobicContact CB-CZ 3.5Å; F36-F516 HydrophobicContact CD1-CD1 4.3Å; F36-F516 AromaticContact CD1-CE1 3.37Å; F36-F516 HydrophobicContact CD1-CE1 3.37Å; F36-F516 AromaticContact CD1-CZ 3.71Å; F36-F516 HydrophobicContact CD1-CZ 3.71Å; F36-F516 HydrophobicContact CD2-CD1 4.38Å; F36-F516 AromaticContact CD2-CE1 3.89Å; F36-F516 HydrophobicContact CD2-CE1 3.89Å; F36-F516 HydrophobicContact CD2-CE2 4.22Å; F36-F516 AromaticContact CD2-CZ 3.82Å; F36-F516 HydrophobicContact CD2-CZ 3.82Å; F36-F516 HydrophobicContact CE1-CD1 4.16Å; F36-F516 AromaticContact CE1-CE1 3.64Å; F36-F516 HydrophobicContact CE1-CE1 3.64Å; F36-F516 HydrophobicContact CE1-CZ 4.38Å; F36-F516 HydrophobicContact CE2-CD1 4.31Å; F36-F516 HydrophobicContact CE2-CE1 4.18Å; F36-F516 HydrophobicContact CG-CD1 4.39Å; F36-F516 AromaticContact CG-CE1 3.5Å; F36-F516 HydrophobicContact CG-CE1 3.5Å; F36-F516 VanDerWaalsContact CG-CE1 3.5Å; F36-F516 HydrophobicContact CG-CE2 4.16Å; F36-F516 AromaticContact CG-CZ 3.37Å; F36-F516 HydrophobicContact CG-CZ 3.37Å; F36-F516 HydrophobicContact CZ-CD1 4.18Å; F36-F516 HydrophobicContact CZ-CE1 4.04Å
37	M	94.1	Very high	93	Very high	67 Å²	67	60 Å²	60	33%	0.33	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-34.2	173.9	-62.9	-55.8	-63.9	0	0	111.4	V33 L39 Y283 V287 M291	V33-M37 WeakPolarHBondContact O-CG 3.35Å; V33-M37 PolarHBondContact O-N 3.34Å; M37-L39 PolarHBondContact O-N 3.45Å; M37-Y283 PolarHBondContact O-OH 3.31Å; M37-Y283 VanDerWaalsContact O-OH 3.05Å; M37-V287 HydrophobicContact CE-CG1 3.61Å; M37-V287 HydrophobicContact CE-CG2 4.47Å; M37-M291 HydrophobicContact CE-CE 4.24Å; M37-M291 HydrophobicContact SD-CE 3.41Å; M37-M291 WeakPolarHBondContact SD-CE 3.45Å
38	G	93.3	Very high	92.7	Very high	11 Å²	11	55.6 Å²	55.6	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-22.8	174.8	0	0	0	0	0	114.6	C34 W35 F36 A40 F41 F44	C34-G38 PolarHBondContact O-N 3.27Å; W35-G38 WeakPolarHBondContact O-CA 3.32Å; W35-G38 PolarHBondContact O-N 3.35Å; W35-G38 VanDerWaalsContact O-N 3.09Å; F36-G38 PolarHBondContact O-N 3.03Å; G38-A40 PolarHBondContact O-N 3.35Å; G38-A40 VanDerWaalsContact O-N 3.17Å; G38-F41 WeakPolarHBondContact O-CB 3.24Å; G38-F41 WeakPolarHBondContact O-CD2 3.26Å; G38-F41 PolarHBondContact O-N 3.01Å; G38-F44 VanDerWaalsContact O-CD2 3.28Å; G38-F44 WeakPolarHBondContact O-CD2 3.08Å
39	L	93	Very high	92.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.1	-175.9	-61.3	174.2	0	0	0	114.1	W35 F36 M37 F41 T45 M290 V369 Y373 Y374	W35-L39 WeakPolarHBondContact O-CG 3.36Å; W35-L39 PolarHBondContact O-N 3.29Å; F36-L39 HydrophobicContact CD2-CD1 3.45Å; F36-L39 VanDerWaalsContact CD2-CD1 3.45Å; F36-L39 HydrophobicContact CE2-CD1 3.75Å; F36-L39 HydrophobicContact CG-CD1 4.23Å; F36-L39 VanDerWaalsContact O-CB 3.3Å; F36-L39 WeakPolarHBondContact O-CB 3.5Å; F36-L39 VanDerWaalsContact O-CG 3.29Å; F36-L39 WeakPolarHBondContact O-CG 3.41Å; F36-L39 PolarHBondContact O-N 3.46Å; F36-L39 VanDerWaalsContact O-N 3.14Å; M37-L39 PolarHBondContact O-N 3.45Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-T45 WeakPolarHBondContact O-CG2 2.74Å; L39-M290 HydrophobicContact CB-CE 4.28Å; L39-M290 HydrophobicContact CB-SD 4.02Å; L39-V369 HydrophobicContact CB-CG1 4.24Å; L39-V369 HydrophobicContact CB-CG2 4.22Å; L39-V369 HydrophobicContact CD1-CG1 4.27Å; L39-V369 HydrophobicContact CD2-CG1 3.94Å; L39-V369 HydrophobicContact CG-CG1 4.37Å; L39-V369 WeakPolarHBondContact O-CG2 3.36Å; L39-Y373 WeakPolarHBondContact CD2-O 3.15Å; L39-Y374 VanDerWaalsContact CD1-CB 3.44Å
40	A	89.8	Confident	91.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5	176.5	0	0	0	0	0	113.5	G38 Y283 A286 V287 M290	G38-A40 PolarHBondContact O-N 3.35Å; G38-A40 VanDerWaalsContact O-N 3.17Å; A40-Y283 HydrophobicContact CB-CD2 4.12Å; A40-Y283 HydrophobicContact CB-CE2 3.87Å; A40-A286 HydrophobicContact CB-CB 4.09Å; A40-V287 HydrophobicContact CB-CB 4.25Å; A40-V287 HydrophobicContact CB-CG2 3.33Å; A40-M290 HydrophobicContact CB-CE 4.42Å
41	F	89.4	Confident	90.9	Very high	100 Å²	100	54.5 Å²	54.5	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-78.3	140.8	173.4	-79.5	-91.2	0	0	0	111.3	G38 L39 P43 F44 T45 Y283	G38-F41 WeakPolarHBondContact O-CB 3.24Å; G38-F41 WeakPolarHBondContact O-CD2 3.26Å; G38-F41 PolarHBondContact O-N 3.01Å; L39-F41 VanDerWaalsContact C-N 3.28Å; F41-P43 VanDerWaalsContact C-N 3.33Å; F41-P43 VanDerWaalsContact O-N 3.13Å; F41-F44 HydrophobicContact CB-CD2 4.42Å; F41-F44 PolarHBondContact O-N 3.44Å; F41-T45 PolarHBondContact O-N 2.9Å; F41-Y283 HydrophobicContact CD1-CD2 4.28Å; F41-Y283 AromaticContact CD2-CD2 3.73Å; F41-Y283 HydrophobicContact CD2-CD2 3.73Å; F41-Y283 AromaticContact CD2-CE2 3.29Å; F41-Y283 HydrophobicContact CD2-CE2 3.29Å; F41-Y283 HydrophobicContact CE1-CD2 4.19Å; F41-Y283 HydrophobicContact CE1-CE2 4.48Å; F41-Y283 AromaticContact CE2-CD2 3.64Å; F41-Y283 HydrophobicContact CE2-CD2 3.64Å; F41-Y283 HydrophobicContact CE2-CE1 4.4Å; F41-Y283 AromaticContact CE2-CE2 3.11Å; F41-Y283 HydrophobicContact CE2-CE2 3.11Å; F41-Y283 HydrophobicContact CE2-CG 4.46Å; F41-Y283 AromaticContact CE2-CZ 3.55Å; F41-Y283 HydrophobicContact CG-CD2 4.06Å; F41-Y283 HydrophobicContact CG-CE2 4.08Å; F41-Y283 AromaticContact CZ-CD2 3.88Å; F41-Y283 HydrophobicContact CZ-CD2 3.88Å; F41-Y283 AromaticContact CZ-CE2 3.78Å; F41-Y283 HydrophobicContact CZ-CE2 3.78Å; F41-Y283 HydrophobicContact CZ-CG 4.33Å
42	E	85.2	Confident	90.2	Very high	66 Å²	66	53.6 Å²	53.6	31%	0.308	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-48.1	-44.3	-176.1	-170.3	179.5	-177	0	0	113.9	F44 T45 R47 W277	E42-F44 PolarHBondContact O-N 3.28Å; E42-F44 VanDerWaalsContact O-N 3.15Å; E42-T45 WeakPolarHBondContact CA-OG1 3.45Å; E42-T45 PolarHBondContact O-N 3.2Å; E42-T45 VanDerWaalsContact O-O 3.07Å; E42-T45 PolarHBondContact O-OG1 3.09Å; E42-R47 IonicContact OE1-NH2 3.54Å; E42-W277 HydrophobicContact CB-CB 4.3Å
43	P	87.1	Confident	89.4	Confident	109 Å²	109	60.4 Å²	60.4	71%	0.708	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.2	-179	-24.4	36	0	0	0	115.5	F41	F41-P43 VanDerWaalsContact C-N 3.33Å; F41-P43 VanDerWaalsContact O-N 3.13Å
44	F	86.7	Confident	88.3	Confident	67 Å²	67	59.7 Å²	59.7	29%	0.294	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-95.2	-5.5	177.4	-69.6	-66.6	0	0	0	112.9	W35 G38 F41 E42 Y373	W35-F44 AromaticContact CH2-CE1 3.98Å; W35-F44 HydrophobicContact CH2-CE1 3.98Å; W35-F44 HydrophobicContact CH2-CZ 4.42Å; W35-F44 HydrophobicContact CZ2-CE1 4.07Å; G38-F44 VanDerWaalsContact O-CD2 3.28Å; G38-F44 WeakPolarHBondContact O-CD2 3.08Å; F41-F44 HydrophobicContact CB-CD2 4.42Å; F41-F44 PolarHBondContact O-N 3.44Å; E42-F44 PolarHBondContact O-N 3.28Å; E42-F44 VanDerWaalsContact O-N 3.15Å; F44-Y373 HydrophobicContact CD1-CD1 4.04Å; F44-Y373 HydrophobicContact CD1-CE1 4.35Å
45	T	90.3	Very high	87.4	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-101.3	141	177.2	65.6	0	0	0	0	110.7	L39 F41 E42 P363 H367 V369	L39-T45 WeakPolarHBondContact O-CG2 2.74Å; F41-T45 PolarHBondContact O-N 2.9Å; E42-T45 WeakPolarHBondContact CA-OG1 3.45Å; E42-T45 PolarHBondContact O-N 3.2Å; E42-T45 VanDerWaalsContact O-O 3.07Å; E42-T45 PolarHBondContact O-OG1 3.09Å; T45-P363 HydrophobicContact CG2-CG 3.78Å; T45-H367 PolarHBondContact OG1-CD2 3.14Å; T45-V369 HydrophobicContact CG2-CG2 3.96Å
46	L	90.1	Very high	86	Confident	51 Å²	51	53.6 Å²	53.6	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.7	175	-62.4	176.2	0	0	0	109.1	H367 F368 Y373	L46-H367 CarbonylContact O-C 3.54Å; L46-H367 VanDerWaalsContact O-CA 3.22Å; L46-H367 WeakPolarHBondContact O-CA 3.31Å; L46-F368 HydrophobicContact CB-CD1 4.05Å; L46-F368 HydrophobicContact CB-CE1 3.59Å; L46-F368 HydrophobicContact CB-CE2 4.44Å; L46-F368 HydrophobicContact CB-CZ 3.82Å; L46-F368 HydrophobicContact CD1-CE1 4.41Å; L46-F368 HydrophobicContact CD1-CE2 4.08Å; L46-F368 HydrophobicContact CD1-CZ 3.77Å; L46-F368 HydrophobicContact CG-CZ 4.46Å; L46-F368 PolarHBondContact N-O 3.15Å; L46-F368 VanDerWaalsContact O-CD1 3.3Å; L46-F368 WeakPolarHBondContact O-CD1 3.28Å; L46-F368 PolarHBondContact O-N 3.43Å; L46-Y373 HydrophobicContact CD1-CE2 4.01Å; L46-Y373 HydrophobicContact CD2-CE2 4.09Å; L46-Y373 HydrophobicContact CG-CE2 3.94Å
47	R	90.8	Very high	84.8	Confident	175 Å²	175	55.3 Å²	55.3	66%	0.66	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.7	169.7	-76.2	-178.5	-175.3	-176.9	4.8	110.2	E42 S366 H367	E42-R47 IonicContact OE1-NH2 3.54Å; R47-S366 WeakPolarHBondContact CA-O 3.43Å; R47-H367 VanDerWaalsContact CG-NE2 3.26Å; R47-H367 WeakPolarHBondContact CG-NE2 3.5Å
48	T	87.8	Confident	83.9	Confident	29 Å²	29	54.2 Å²	54.2	18%	0.178	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-66.1	139.5	175.3	50.5	0	0	0	0	110.6	N253 M362 L365 S366 F368	T48-N253 VanDerWaalsContact CB-OD1 3.22Å; T48-N253 WeakPolarHBondContact CB-OD1 3.4Å; T48-N253 WeakPolarHBondContact CG2-OD1 3.41Å; T48-M362 HydrophobicContact CG2-CE 4.16Å; T48-L365 WeakPolarHBondContact CG2-O 3.45Å; T48-L365 PolarHBondContact OG1-O 3.33Å; T48-S366 PolarHBondContact N-O 3.43Å; T48-S366 WeakPolarHBondContact OG1-CA 3.36Å; T48-S366 PolarHBondContact OG1-O 3.26Å; T48-F368 HydrophobicContact CG2-CB 4.44Å; T48-F368 HydrophobicContact CG2-CD1 3.81Å
49	Y	85.5	Confident	83	Confident	120 Å²	120	61.8 Å²	61.8	47%	0.471	33%	0.325	S	S	.	.			trans	-145.3	156	177.3	66.9	-88.5	0	0	0	109	N253 F368	Y49-N253 PolarHBondContact O-ND2 2.67Å; Y49-F368 HydrophobicContact CE1-CE1 4.47Å; Y49-F368 HydrophobicContact CE1-CZ 4.42Å
50	M	86.4	Confident	82.4	Confident	48 Å²	48	62.3 Å²	62.3	24%	0.236	33%	0.328	C	S	.	.			trans	-82	120	172.9	-59.4	-63.6	165.2	0	0	108.9	N253 A257	M50-N253 HydrophobicContact CE-CB 3.57Å; M50-N253 WeakPolarHBondContact CE-O 3.39Å; M50-N253 HydrophobicContact SD-CB 3.63Å; M50-A257 HydrophobicContact CE-CB 3.59Å
51	S	81.8	Confident	82.1	Confident	23 Å²	23	68.4 Å²	68.4	16%	0.161	36%	0.356	C	S	.	.			trans	-79.4	-36.9	171.8	72.9	0	0	0	0	111.5	N53 D250 S356	S51-N53 PolarHBondContact O-N 3.34Å; S51-D250 WeakPolarHBondContact CA-OD2 3.27Å; S51-D250 WeakPolarHBondContact CB-OD2 3.44Å; S51-D250 PolarHBondContact N-OD1 2.82Å; S51-D250 PolarHBondContact N-OD2 3.46Å; S51-D250 VanDerWaalsContact OG-CG 3.28Å; S51-D250 PolarHBondContact OG-OD1 3.34Å; S51-D250 PolarHBondContact OG-OD2 2.96Å; S51-S356 WeakPolarHBondContact OG-CA 3.32Å; S51-S356 VanDerWaalsContact OG-CB 3.22Å; S51-S356 WeakPolarHBondContact OG-CB 3.29Å; S51-S356 PolarHBondContact OG-N 2.96Å; S51-S356 PolarHBondContact OG-OG 2.91Å
52	E	82.4	Confident	82.2	Confident	17 Å²	17	65.1 Å²	65.1	8%	0.079	34%	0.342	C	S	.	.			trans	-79.9	117.2	-177.1	-177.6	50.1	-119.2	0	0	111.9	A54 M55 G56 D250 L349 L353	E52-A54 HydrophobicContact CG-CB 4.09Å; E52-A54 PolarHBondContact O-N 3.09Å; E52-A54 PolarHBondContact OE1-N 2.62Å; E52-M55 HydrophobicContact CB-CB 4.42Å; E52-M55 HydrophobicContact CB-CG 4.28Å; E52-M55 HydrophobicContact CG-CE 4.28Å; E52-M55 HydrophobicContact CG-CG 4.09Å; E52-M55 PolarHBondContact O-N 3.41Å; E52-G56 PolarHBondContact O-N 3.19Å; E52-G56 VanDerWaalsContact O-N 3.09Å; E52-D250 WeakPolarHBondContact CB-OD2 3.5Å; E52-D250 PolarHBondContact N-OD2 3.34Å; E52-L349 HydrophobicContact CG-CD2 3.77Å; E52-L353 HydrophobicContact CB-CD2 4.41Å
53	N	79.6	Confident	82.4	Confident	143 Å²	143	69.8 Å²	69.8	77%	0.765	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.3	-178.2	-70.4	-43.7	0	0	0	112.3	S51 M55 G56	S51-N53 PolarHBondContact O-N 3.34Å; N53-M55 PolarHBondContact O-N 3.03Å; N53-G56 PolarHBondContact O-N 3.34Å
54	A	72.8	Confident	82.7	Confident	29 Å²	29	64.6 Å²	64.6	24%	0.24	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.5	176	0	0	0	0	0	112.9	E52 L349	E52-A54 HydrophobicContact CG-CB 4.09Å; E52-A54 PolarHBondContact O-N 3.09Å; E52-A54 PolarHBondContact OE1-N 2.62Å; A54-L349 HydrophobicContact CB-CD2 4.35Å
55	M	76.9	Confident	82.8	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-15	179.9	-60	-163.1	-155	0	0	114.5	E52 N53 S57 L254 L346 L349 L353	E52-M55 HydrophobicContact CB-CB 4.42Å; E52-M55 HydrophobicContact CB-CG 4.28Å; E52-M55 HydrophobicContact CG-CE 4.28Å; E52-M55 HydrophobicContact CG-CG 4.09Å; E52-M55 PolarHBondContact O-N 3.41Å; N53-M55 PolarHBondContact O-N 3.03Å; M55-S57 PolarHBondContact O-N 3.5Å; M55-L254 HydrophobicContact CB-CD1 4.42Å; M55-L254 HydrophobicContact SD-CB 4.5Å; M55-L254 HydrophobicContact SD-CD1 4.37Å; M55-L254 HydrophobicContact SD-CD2 4.03Å; M55-L346 HydrophobicContact CE-CD2 4.11Å; M55-L349 HydrophobicContact CE-CD1 3.56Å; M55-L349 HydrophobicContact CE-CD2 3.18Å; M55-L349 HydrophobicContact CE-CG 3.65Å; M55-L349 HydrophobicContact CG-CD2 4.36Å; M55-L353 HydrophobicContact CE-CD1 3.95Å; M55-L353 HydrophobicContact CE-CD2 3.33Å; M55-L353 HydrophobicContact CE-CG 3.8Å; M55-L353 HydrophobicContact SD-CD2 4.47Å
56	G	66.1	Low	82.7	Confident	52 Å²	52	66.2 Å²	66.2	54%	0.536	34%	0.342	S	S	.	.	S	Bend	trans	-61.4	-9.4	-167.9	0	0	0	0	0	117.4	E52 N53	E52-G56 PolarHBondContact O-N 3.19Å; E52-G56 VanDerWaalsContact O-N 3.09Å; N53-G56 PolarHBondContact O-N 3.34Å
57	S	71.9	Confident	82.6	Confident	41 Å²	41	63.9 Å²	63.9	29%	0.287	33%	0.33	S	S	.	.			trans	-124.4	127.8	179.8	162.4	0	0	0	0	110.8	M55 M59 K345	M55-S57 PolarHBondContact O-N 3.5Å; S57-M59 PolarHBondContact O-N 3.21Å; S57-M59 VanDerWaalsContact OG-CB 3.23Å; S57-M59 WeakPolarHBondContact OG-CB 3.34Å; S57-M59 WeakPolarHBondContact OG-CE 3.34Å; S57-M59 WeakPolarHBondContact OG-CG 3.38Å; S57-M59 PolarHBondContact OG-N 3.42Å; S57-M59 VanDerWaalsContact OG-N 3.11Å; S57-K345 WeakPolarHBondContact O-CE 3.45Å; S57-K345 PolarHBondContact O-NZ 3.28Å
58	T	74.6	Confident	82.6	Confident	45 Å²	45	63.6 Å²	63.6	28%	0.276	34%	0.336	S	S	.	.			trans	-84.2	17.1	171.8	56	0	0	0	0	113.2	V60 A257 F258 K261	T58-V60 PolarHBondContact O-N 2.9Å; T58-A257 HydrophobicContact CG2-CB 3.81Å; T58-F258 HydrophobicContact CG2-CE1 4.4Å; T58-F258 HydrophobicContact CG2-CZ 4.47Å; T58-K261 WeakPolarHBondContact O-CD 3.4Å; T58-K261 WeakPolarHBondContact O-CE 3.41Å; T58-K261 PolarHBondContact O-NZ 3.15Å
59	M	74.1	Confident	82.8	Confident	169 Å²	169	68.7 Å²	68.7	83%	0.833	35%	0.352	S	S	*	.			trans	-73.6	61.8	-179.2	-62.6	-171.5	-50	0	0	113	S57	S57-M59 PolarHBondContact O-N 3.21Å; S57-M59 VanDerWaalsContact OG-CB 3.23Å; S57-M59 WeakPolarHBondContact OG-CB 3.34Å; S57-M59 WeakPolarHBondContact OG-CE 3.34Å; S57-M59 WeakPolarHBondContact OG-CG 3.38Å; S57-M59 PolarHBondContact OG-N 3.42Å; S57-M59 VanDerWaalsContact OG-N 3.11Å
60	V	80.4	Confident	83.2	Confident	12 Å²	12	63 Å²	63	7%	0.073	33%	0.33	C	S	.	.			trans	-118.1	133.9	174.1	168.8	0	0	0	0	106.4	T58 E62 K261 R344 K345	T58-V60 PolarHBondContact O-N 2.9Å; V60-E62 HydrophobicContact CG1-CG 4.46Å; V60-E62 VanDerWaalsContact O-CD 3.28Å; V60-E62 VanDerWaalsContact O-OE1 3.1Å; V60-E62 VanDerWaalsContact O-OE2 3.07Å; V60-K261 PolarHBondContact O-NZ 3.39Å; V60-R344 HydrophobicContact CG1-CB 4.01Å; V60-R344 VanDerWaalsContact CG1-CD 3.41Å; V60-R344 HydrophobicContact CG1-CG 4.28Å; V60-R344 VanDerWaalsContact CG1-CZ 3.46Å; V60-R344 HydrophobicContact CG2-CB 4.46Å; V60-K345 HydrophobicContact CG2-CD 4.18Å
61	E	85.1	Confident	83.5	Confident	129 Å²	129	62.9 Å²	62.9	60%	0.603	33%	0.33	S	S	*	.			trans	-90.2	107.7	171	-72	-175.9	-176.5	0	0	109.2	R63 R344	E61-R63 IonicContact OE2-CZ 2.67Å; E61-R63 IonicContact OE2-NE 2.89Å; E61-R63 IonicContact OE2-NH2 2.71Å; E61-R63 PolarHBondContact OE2-NH2 3.12Å; E61-R344 PolarHBondContact O-NH1 3.49Å
62	E	89.9	Confident	84.1	Confident	31 Å²	31	64 Å²	64	15%	0.145	34%	0.34	C	S	.	.			trans	-80.8	129.2	175.2	-55	76.9	-166.7	0	0	109.9	V60 F258 K261 R337	V60-E62 HydrophobicContact CG1-CG 4.46Å; V60-E62 VanDerWaalsContact O-CD 3.28Å; V60-E62 VanDerWaalsContact O-OE1 3.1Å; V60-E62 VanDerWaalsContact O-OE2 3.07Å; E62-F258 WeakPolarHBondContact OE1-CE1 3.22Å; E62-K261 IonicContact OE1-NZ 3.87Å; E62-K261 PolarHBondContact OE1-NZ 2.77Å; E62-K261 WeakPolarHBondContact OE2-CE 3.47Å; E62-K261 IonicContact OE2-NZ 3.54Å; E62-K261 PolarHBondContact OE2-NZ 2.75Å; E62-R337 HydrophobicContact CB-CB 3.81Å; E62-R337 HydrophobicContact CB-CG 4.02Å; E62-R337 HydrophobicContact CG-CB 4.48Å; E62-R337 VanDerWaalsContact CG-O 3.29Å; E62-R337 WeakPolarHBondContact CG-O 3.28Å
63	R	90.8	Very high	84.6	Confident	164 Å²	164	64 Å²	64	62%	0.619	34%	0.341	S	S	*	.			trans	-128.2	11.1	-173.5	-62.3	-175.8	-178	-174.8	0.2	113.6	E61 P65 E340	E61-R63 IonicContact OE2-CZ 2.67Å; E61-R63 IonicContact OE2-NE 2.89Å; E61-R63 IonicContact OE2-NH2 2.71Å; E61-R63 PolarHBondContact OE2-NH2 3.12Å; R63-P65 WeakPolarHBondContact O-CD 3.28Å; R63-P65 VanDerWaalsContact O-N 3.08Å; R63-E340 PolarHBondContact N-OE1 2.79Å; R63-E340 PolarHBondContact N-OE2 3.22Å
64	F	92.6	Very high	85.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.			trans	-50.5	116.8	176.1	-177.2	-107.1	0	0	0	111.3	L162 L166 Y169 T333 R337 E340	F64-L162 HydrophobicContact CE1-CD1 4.07Å; F64-L162 HydrophobicContact CZ-CD1 4.11Å; F64-L166 HydrophobicContact CD2-CD2 3.81Å; F64-L166 HydrophobicContact CE2-CD2 3.93Å; F64-L166 HydrophobicContact CE2-CG 4.33Å; F64-L166 HydrophobicContact CG-CD2 4.26Å; F64-L166 HydrophobicContact CZ-CD2 4.46Å; F64-Y169 HydrophobicContact CB-CD1 4.43Å; F64-Y169 HydrophobicContact CB-CE1 4.4Å; F64-Y169 AromaticContact CD2-CD1 3.8Å; F64-Y169 HydrophobicContact CD2-CD1 3.8Å; F64-Y169 HydrophobicContact CD2-CD2 4.47Å; F64-Y169 AromaticContact CD2-CG 3.77Å; F64-Y169 HydrophobicContact CD2-CG 3.77Å; F64-Y169 HydrophobicContact CE2-CG 4.43Å; F64-T333 HydrophobicContact CD1-CG2 4.39Å; F64-T333 WeakPolarHBondContact O-CG2 3.47Å; F64-R337 HydrophobicContact CB-CG 3.95Å; F64-R337 PolarHBondContact O-NE 3.16Å; F64-E340 WeakPolarHBondContact CB-OE2 3.27Å; F64-E340 PolarHBondContact N-OE2 3.04Å
65	P	89.6	Confident	86.3	Confident	84 Å²	84	61.7 Å²	61.7	55%	0.545	32%	0.319	S	S	.	.			trans	-107.9	-10.2	-174.5	36.6	-28.3	0	0	0	113.7	R63 G67	R63-P65 WeakPolarHBondContact O-CD 3.28Å; R63-P65 VanDerWaalsContact O-N 3.08Å; P65-G67 PolarHBondContact O-N 2.85Å
66	S	86.9	Confident	87.2	Confident	28 Å²	28	66.5 Å²	66.5	20%	0.196	34%	0.342	C	S	.	.			trans	-103.7	37.9	-159.3	-57.9	0	0	0	0	115.1	R69 A70	S66-R69 PolarHBondContact O-N 3.22Å; S66-A70 PolarHBondContact O-N 3.3Å
67	G	88.1	Confident	88.6	Confident	2 Å²	2	64 Å²	64	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-41.1	-178.4	0	0	0	0	0	114.5	P65 R69 A70 L71 T333	P65-G67 PolarHBondContact O-N 2.85Å; G67-R69 VanDerWaalsContact C-N 3.33Å; G67-R69 PolarHBondContact O-N 3.39Å; G67-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 PolarHBondContact O-N 3.44Å; G67-L71 PolarHBondContact O-N 3.49Å; G67-T333 VanDerWaalsContact CA-OG1 3.29Å; G67-T333 WeakPolarHBondContact CA-OG1 3.45Å; G67-T333 PolarHBondContact N-OG1 3.39Å
68	E	90.8	Very high	89.6	Confident	168 Å²	168	62.8 Å²	62.8	79%	0.785	31%	0.309	S	S	*	.	H	α-helix	trans	-65.6	-37.5	177.2	-66.1	-174.6	170.1	0	0	112.3	L71 A72	E68-L71 WeakPolarHBondContact O-CB 3.29Å; E68-L71 PolarHBondContact O-N 2.89Å; E68-A72 PolarHBondContact O-N 3.35Å
69	R	92.4	Very high	90.6	Very high	137 Å²	137	63.6 Å²	63.6	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-66.2	-41.8	175.2	-172.1	176	-178.1	174.2	0.7	111.1	S66 G67 L71 A72 T73	S66-R69 PolarHBondContact O-N 3.22Å; G67-R69 VanDerWaalsContact C-N 3.33Å; G67-R69 PolarHBondContact O-N 3.39Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 2.88Å; R69-A72 PolarHBondContact O-N 3.36Å; R69-T73 PolarHBondContact O-N 2.98Å; R69-T73 PolarHBondContact O-OG1 3.49Å; R69-T73 VanDerWaalsContact O-OG1 3.09Å
70	A	93.6	Very high	91.5	Very high	1 Å²	1	59 Å²	59	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-44	174	0	0	0	0	0	112	S66 G67 T73 G74 G161 L162 I332	S66-A70 PolarHBondContact O-N 3.3Å; G67-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 PolarHBondContact O-N 3.44Å; A70-T73 PolarHBondContact O-N 3.45Å; A70-G74 PolarHBondContact O-N 3.25Å; A70-G161 WeakPolarHBondContact CB-O 3.5Å; A70-G161 CarbonylContact O-C 3.55Å; A70-G161 VanDerWaalsContact O-CA 3.27Å; A70-G161 WeakPolarHBondContact O-CA 3.12Å; A70-L162 HydrophobicContact CB-CD1 4.37Å; A70-I332 HydrophobicContact CB-CG2 4.19Å
71	L	92.6	Very high	92.1	Very high	45 Å²	45	59 Å²	59	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-44.9	173.2	-87.8	172.6	0	0	0	112.9	G67 E68 R69 G74 K75 Q158 I332	G67-L71 PolarHBondContact O-N 3.49Å; E68-L71 WeakPolarHBondContact O-CB 3.29Å; E68-L71 PolarHBondContact O-N 2.89Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 2.88Å; L71-G74 PolarHBondContact O-N 3.26Å; L71-K75 WeakPolarHBondContact O-CG 3.47Å; L71-K75 PolarHBondContact O-N 3.46Å; L71-Q158 HydrophobicContact CD2-CG 4.33Å; L71-I332 HydrophobicContact CD1-CD1 3.8Å; L71-I332 HydrophobicContact CD2-CD1 3.13Å; L71-I332 HydrophobicContact CG-CB 4.45Å; L71-I332 HydrophobicContact CG-CD1 3.28Å; L71-I332 HydrophobicContact CG-CG1 4.41Å
72	A	94.3	Very high	92.4	Very high	45 Å²	45	59.3 Å²	59.3	37%	0.372	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177.5	0	0	0	0	0	111.2	E68 R69 G74 K75 E76	E68-A72 PolarHBondContact O-N 3.35Å; R69-A72 PolarHBondContact O-N 3.36Å; A72-G74 VanDerWaalsContact C-N 3.31Å; A72-G74 PolarHBondContact O-N 3.04Å; A72-K75 WeakPolarHBondContact O-CB 3.21Å; A72-K75 PolarHBondContact O-N 3.37Å; A72-K75 VanDerWaalsContact O-N 3.12Å; A72-E76 WeakPolarHBondContact O-CG 3.17Å; A72-E76 PolarHBondContact O-N 3.37Å
73	T	94.6	Very high	92.6	Very high	18 Å²	18	66.2 Å²	66.2	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-35.3	175.6	-58.4	0	0	0	0	112.2	R69 A70 K75 E76 F77 W91 L164	R69-T73 PolarHBondContact O-N 2.98Å; R69-T73 PolarHBondContact O-OG1 3.49Å; R69-T73 VanDerWaalsContact O-OG1 3.09Å; A70-T73 PolarHBondContact O-N 3.45Å; T73-K75 VanDerWaalsContact C-N 3.35Å; T73-E76 PolarHBondContact O-N 2.94Å; T73-F77 WeakPolarHBondContact O-CB 3.41Å; T73-F77 PolarHBondContact O-N 3.04Å; T73-W91 HydrophobicContact CG2-CH2 3.82Å; T73-W91 HydrophobicContact CG2-CZ2 4.28Å; T73-L164 HydrophobicContact CG2-CB 4.16Å; T73-L164 HydrophobicContact CG2-CD1 3.63Å
74	G	93.8	Very high	92.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-38.7	172.2	0	0	0	0	0	112.8	A70 L71 A72 F77 A78 N157	A70-G74 PolarHBondContact O-N 3.25Å; L71-G74 PolarHBondContact O-N 3.26Å; A72-G74 VanDerWaalsContact C-N 3.31Å; A72-G74 PolarHBondContact O-N 3.04Å; G74-F77 WeakPolarHBondContact O-CB 3.43Å; G74-F77 PolarHBondContact O-N 3.37Å; G74-A78 PolarHBondContact O-N 3.27Å; G74-N157 WeakPolarHBondContact CA-O 3.41Å
75	K	93.8	Very high	92.2	Very high	123 Å²	123	66.6 Å²	66.6	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-39.5	173.8	-68.1	177.3	-177.7	-178.7	0	112.6	L71 A72 T73 A78 A79	L71-K75 WeakPolarHBondContact O-CG 3.47Å; L71-K75 PolarHBondContact O-N 3.46Å; A72-K75 WeakPolarHBondContact O-CB 3.21Å; A72-K75 PolarHBondContact O-N 3.37Å; A72-K75 VanDerWaalsContact O-N 3.12Å; T73-K75 VanDerWaalsContact C-N 3.35Å; K75-A78 WeakPolarHBondContact O-CB 3.28Å; K75-A78 PolarHBondContact O-N 3.27Å; K75-A79 PolarHBondContact O-N 3.27Å
76	E	95.3	Very high	92.1	Very high	102 Å²	102	63.7 Å²	63.7	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-45.5	173	-71.1	172.7	-173.5	0	0	111.1	A72 T73 A78 A79 H80 W91	A72-E76 WeakPolarHBondContact O-CG 3.17Å; A72-E76 PolarHBondContact O-N 3.37Å; T73-E76 PolarHBondContact O-N 2.94Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.01Å; E76-A79 PolarHBondContact O-N 3.48Å; E76-H80 PolarHBondContact O-CD2 2.94Å; E76-H80 VanDerWaalsContact O-CD2 3.31Å; E76-H80 PolarHBondContact O-N 3.07Å; E76-W91 HydrophobicContact CB-CZ2 3.93Å
77	F	94.9	Very high	92.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.9	-46.9	174.1	176.9	-106.5	0	0	0	111.4	T73 G74 A79 H80 K81 P88 W91 L92 C150 N157 V160	T73-F77 WeakPolarHBondContact O-CB 3.41Å; T73-F77 PolarHBondContact O-N 3.04Å; G74-F77 WeakPolarHBondContact O-CB 3.43Å; G74-F77 PolarHBondContact O-N 3.37Å; F77-A79 VanDerWaalsContact C-N 3.33Å; F77-A79 PolarHBondContact O-N 3.46Å; F77-H80 PolarHBondContact O-N 3.01Å; F77-K81 HydrophobicContact CE1-CD 4.13Å; F77-K81 VanDerWaalsContact O-CB 3.25Å; F77-K81 WeakPolarHBondContact O-CB 3.28Å; F77-K81 PolarHBondContact O-N 2.88Å; F77-P88 HydrophobicContact CD2-CG 3.6Å; F77-P88 VanDerWaalsContact CE2-CD 3.44Å; F77-P88 HydrophobicContact CE2-CG 3.38Å; F77-P88 HydrophobicContact CZ-CG 4.27Å; F77-W91 HydrophobicContact CB-CH2 3.76Å; F77-W91 HydrophobicContact CB-CZ3 3.75Å; F77-W91 AromaticContact CD2-CE3 3.85Å; F77-W91 HydrophobicContact CD2-CE3 3.85Å; F77-W91 HydrophobicContact CD2-CH2 4.36Å; F77-W91 AromaticContact CD2-CZ3 3.48Å; F77-W91 HydrophobicContact CD2-CZ3 3.48Å; F77-W91 VanDerWaalsContact CD2-CZ3 3.48Å; F77-W91 HydrophobicContact CG-CZ3 4.08Å; F77-L92 HydrophobicContact CD2-CD2 4.02Å; F77-L92 HydrophobicContact CD2-CG 4.32Å; F77-L92 HydrophobicContact CE2-CD1 3.9Å; F77-L92 HydrophobicContact CE2-CD2 3.85Å; F77-L92 HydrophobicContact CE2-CG 3.93Å; F77-C150 HydrophobicContact CZ-CB 4.35Å; F77-N157 HydrophobicContact CD1-CB 4.1Å; F77-N157 WeakPolarHBondContact CD1-OD1 3.22Å; F77-N157 WeakPolarHBondContact CE1-OD1 3.28Å; F77-V160 HydrophobicContact CD1-CB 4.06Å; F77-V160 HydrophobicContact CD1-CG1 4.13Å; F77-V160 HydrophobicContact CD1-CG2 4.3Å; F77-V160 HydrophobicContact CD2-CG1 4Å; F77-V160 HydrophobicContact CE1-CB 4.11Å; F77-V160 HydrophobicContact CE1-CG1 4.21Å; F77-V160 HydrophobicContact CE1-CG2 3.84Å; F77-V160 HydrophobicContact CE2-CG1 4.06Å; F77-V160 HydrophobicContact CG-CB 4.4Å; F77-V160 HydrophobicContact CG-CG1 4Å; F77-V160 HydrophobicContact CZ-CB 4.47Å; F77-V160 HydrophobicContact CZ-CG1 4.17Å; F77-V160 HydrophobicContact CZ-CG2 4.09Å
78	A	93.8	Very high	92.6	Very high	16 Å²	16	62.7 Å²	62.7	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-58.4	-42.3	176.7	0	0	0	0	0	112.4	G74 K75 E76 K81 K82 N157	G74-A78 PolarHBondContact O-N 3.27Å; K75-A78 WeakPolarHBondContact O-CB 3.28Å; K75-A78 PolarHBondContact O-N 3.27Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.01Å; A78-K81 PolarHBondContact O-N 3.43Å; A78-K82 WeakPolarHBondContact O-CG 3.44Å; A78-K82 PolarHBondContact O-N 2.74Å; A78-N157 HydrophobicContact CB-CB 4.11Å; A78-N157 VanDerWaalsContact CB-ND2 3.33Å; A78-N157 WeakPolarHBondContact CB-ND2 3.42Å
79	A	94.6	Very high	92.9	Very high	62 Å²	62	56.4 Å²	56.4	51%	0.512	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-43.4	177.5	0	0	0	0	0	112.1	K75 E76 F77 K82 K83	K75-A79 PolarHBondContact O-N 3.27Å; E76-A79 PolarHBondContact O-N 3.48Å; F77-A79 VanDerWaalsContact C-N 3.33Å; F77-A79 PolarHBondContact O-N 3.46Å; A79-K82 PolarHBondContact O-N 3.22Å; A79-K83 PolarHBondContact O-N 3.27Å; A79-K83 VanDerWaalsContact O-N 3.13Å
80	H	94.7	Very high	93.1	Very high	72 Å²	72	55.8 Å²	55.8	33%	0.333	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-39.4	176.4	-82.2	-77	0	0	0	112.7	E76 F77 K83 V84 P88 W91	E76-H80 PolarHBondContact O-CD2 2.94Å; E76-H80 VanDerWaalsContact O-CD2 3.31Å; E76-H80 PolarHBondContact O-N 3.07Å; F77-H80 PolarHBondContact O-N 3.01Å; H80-K83 WeakPolarHBondContact O-CB 3.29Å; H80-K83 PolarHBondContact O-N 3.47Å; H80-V84 WeakPolarHBondContact O-CG2 3.42Å; H80-V84 PolarHBondContact O-N 3.09Å; H80-P88 HydrophobicContact CB-CB 3.76Å; H80-P88 HydrophobicContact CB-CG 4.06Å; H80-W91 HydrophobicContact CB-CB 4.45Å; H80-W91 HydrophobicContact CB-CG 4.3Å; H80-W91 AromaticContact CD2-CD1 3.28Å; H80-W91 AromaticContact CD2-CE2 3.94Å; H80-W91 AromaticContact CD2-CG 3.78Å; H80-W91 AromaticContact CD2-NE1 3.37Å; H80-W91 PolarHBondContact CD2-NE1 3.47Å; H80-W91 AromaticContact CE1-CD1 3.66Å; H80-W91 AromaticContact CG-CD1 3.72Å; H80-W91 AromaticContact CG-CG 3.84Å; H80-W91 AromaticContact ND1-CD1 3.93Å; H80-W91 AromaticContact NE2-CD1 3.26Å; H80-W91 VanDerWaalsContact NE2-CD1 3.26Å; H80-W91 AromaticContact NE2-NE1 3.5Å
81	K	92.8	Very high	93.2	Very high	12 Å²	12	57.4 Å²	57.4	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-46	174.7	-174.8	-174.7	-172.6	-177.2	0	111.4	F77 A78 K83 V84 G85 G86 P88 S151 G153 N155 N157	F77-K81 HydrophobicContact CE1-CD 4.13Å; F77-K81 VanDerWaalsContact O-CB 3.25Å; F77-K81 WeakPolarHBondContact O-CB 3.28Å; F77-K81 PolarHBondContact O-N 2.88Å; A78-K81 PolarHBondContact O-N 3.43Å; K81-K83 VanDerWaalsContact C-N 3.32Å; K81-K83 PolarHBondContact O-N 3.31Å; K81-V84 PolarHBondContact O-N 2.92Å; K81-G85 PolarHBondContact O-N 3.07Å; K81-G86 WeakPolarHBondContact CG-O 3.41Å; K81-G86 PolarHBondContact O-N 3.22Å; K81-P88 HydrophobicContact CB-CG 4.37Å; K81-S151 VanDerWaalsContact CE-O 3.24Å; K81-S151 WeakPolarHBondContact CE-O 3.31Å; K81-S151 PolarHBondContact NZ-O 3.45Å; K81-G153 WeakPolarHBondContact CE-O 3.45Å; K81-G153 PolarHBondContact NZ-O 2.94Å; K81-N155 PolarHBondContact NZ-O 3.26Å; K81-N157 WeakPolarHBondContact CD-OD1 3.33Å; K81-N157 PolarHBondContact NZ-OD1 2.89Å
82	K	91.6	Very high	93.4	Very high	135 Å²	135	55.2 Å²	55.2	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-61.2	-38.4	174.3	-74.4	-178.1	-175.4	-174.1	0	112.8	A78 A79 D154	A78-K82 WeakPolarHBondContact O-CG 3.44Å; A78-K82 PolarHBondContact O-N 2.74Å; A79-K82 PolarHBondContact O-N 3.22Å; K82-D154 WeakPolarHBondContact CE-OD1 3.41Å; K82-D154 WeakPolarHBondContact CE-OD2 3.43Å; K82-D154 IonicContact NZ-OD1 2.83Å; K82-D154 PolarHBondContact NZ-OD1 2.88Å; K82-D154 IonicContact NZ-OD2 2.8Å; K82-D154 PolarHBondContact NZ-OD2 3.03Å
83	K	92.2	Very high	93.6	Very high	177 Å²	177	54.4 Å²	54.4	77%	0.77	30%	0.302	S	S	*	.	H	α-helix	trans	-67.9	-38.3	179.3	-173.7	179.1	179.4	-179.9	0	112.7	A79 H80 K81	A79-K83 PolarHBondContact O-N 3.27Å; A79-K83 VanDerWaalsContact O-N 3.13Å; H80-K83 WeakPolarHBondContact O-CB 3.29Å; H80-K83 PolarHBondContact O-N 3.47Å; K81-K83 VanDerWaalsContact C-N 3.32Å; K81-K83 PolarHBondContact O-N 3.31Å
84	V	90.4	Very high	93.7	Very high	96 Å²	96	60.5 Å²	60.5	58%	0.582	33%	0.327	S	S	*	.	H	α-helix	trans	-87	-24	-177.9	177.5	0	0	0	0	111.9	H80 K81 G86 P88	H80-V84 WeakPolarHBondContact O-CG2 3.42Å; H80-V84 PolarHBondContact O-N 3.09Å; K81-V84 PolarHBondContact O-N 2.92Å; V84-G86 VanDerWaalsContact C-N 3.32Å; V84-P88 HydrophobicContact CG2-CB 4.31Å
85	G	85.7	Confident	93.9	Very high	75 Å²	75	61.7 Å²	61.7	77%	0.773	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	20.5	-175.7	0	0	0	0	0	113.6	K81	K81-G85 PolarHBondContact O-N 3.07Å
86	G	86.6	Confident	94	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	31%	0.309	C	S	.	.	S	Bend	trans	-179.3	-164.4	-174	0	0	0	0	0	110.5	K81 V84 P88	K81-G86 WeakPolarHBondContact CG-O 3.41Å; K81-G86 PolarHBondContact O-N 3.22Å; V84-G86 VanDerWaalsContact C-N 3.32Å; G86-P88 WeakPolarHBondContact O-CD 3.43Å
87	M	91.8	Very high	94.1	Very high	5 Å²	5	56 Å²	56	3%	0.025	31%	0.309	C	S	.	.			trans	-64.1	123.5	179.3	-165.9	179.1	76.4	0	0	111.1	V89 L92 T127 V129 C150 V184 E186	M87-V89 VanDerWaalsContact C-N 3.28Å; M87-V89 HydrophobicContact CE-CG2 3.7Å; M87-V89 PolarHBondContact O-N 3.26Å; M87-L92 HydrophobicContact CE-CD1 4.26Å; M87-L92 HydrophobicContact CG-CD1 3.73Å; M87-L92 HydrophobicContact SD-CD1 3.91Å; M87-T127 WeakPolarHBondContact CE-O 3.39Å; M87-V129 HydrophobicContact CE-CB 4.23Å; M87-V129 HydrophobicContact CE-CG2 3.45Å; M87-V129 VanDerWaalsContact CE-CG2 3.45Å; M87-C150 HydrophobicContact CG-CB 4.13Å; M87-C150 HydrophobicContact SD-CB 4.25Å; M87-V184 HydrophobicContact SD-CG1 4Å; M87-E186 HydrophobicContact CB-CB 4.25Å; M87-E186 HydrophobicContact CB-CG 4.04Å; M87-E186 WeakPolarHBondContact CB-OE1 3.27Å; M87-E186 PolarHBondContact N-OE1 3.37Å; M87-E186 HydrophobicContact SD-CB 4.04Å
88	P	95	Very high	94.1	Very high	3 Å²	3	60 Å²	60	2%	0.019	34%	0.342	C	S	.	.			trans	-79.6	74	-179.2	33.5	-36.4	0	0	0	111.5	F77 H80 K81 V84 G86 D90 W91 L92	F77-P88 HydrophobicContact CD2-CG 3.6Å; F77-P88 VanDerWaalsContact CE2-CD 3.44Å; F77-P88 HydrophobicContact CE2-CG 3.38Å; F77-P88 HydrophobicContact CZ-CG 4.27Å; H80-P88 HydrophobicContact CB-CB 3.76Å; H80-P88 HydrophobicContact CB-CG 4.06Å; K81-P88 HydrophobicContact CB-CG 4.37Å; V84-P88 HydrophobicContact CG2-CB 4.31Å; G86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-D90 PolarHBondContact O-N 3.37Å; P88-W91 HydrophobicContact CB-CB 4.24Å; P88-W91 PolarHBondContact O-N 2.91Å; P88-L92 PolarHBondContact O-N 2.82Å
89	V	95.8	Very high	94.1	Very high	36 Å²	36	60.8 Å²	60.8	22%	0.218	34%	0.343	C	S	.	.	H	α-helix	trans	-51.4	-54.2	-174.3	-174.9	0	0	0	0	112.3	M87 W91 L92 V93 T105 T127 V129	M87-V89 VanDerWaalsContact C-N 3.28Å; M87-V89 HydrophobicContact CE-CG2 3.7Å; M87-V89 PolarHBondContact O-N 3.26Å; V89-W91 VanDerWaalsContact C-N 3.28Å; V89-W91 PolarHBondContact O-N 2.9Å; V89-L92 PolarHBondContact O-N 3.24Å; V89-L92 VanDerWaalsContact O-N 3.16Å; V89-V93 HydrophobicContact CG1-CG2 4.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.5Å; V89-V93 PolarHBondContact O-N 2.9Å; V89-T105 HydrophobicContact CG1-CG2 3.85Å; V89-T127 HydrophobicContact CG1-CG2 4.14Å; V89-T127 HydrophobicContact CG2-CG2 4.07Å; V89-V129 HydrophobicContact CB-CG2 4.43Å; V89-V129 HydrophobicContact CG1-CG2 3.8Å
90	D	96.4	Very high	94	Very high	125 Å²	125	60 Å²	60	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-61.2	-37.1	-176	-68.9	-22.7	0	0	0	112.9	P88 K94	P88-D90 PolarHBondContact O-N 3.37Å; D90-K94 WeakPolarHBondContact O-CB 3.4Å; D90-K94 VanDerWaalsContact O-CG 3.29Å; D90-K94 WeakPolarHBondContact O-CG 3.41Å; D90-K94 PolarHBondContact O-N 3.45Å; D90-K94 VanDerWaalsContact O-N 3.13Å
91	W	96.9	Very high	94	Very high	34 Å²	34	57 Å²	57	13%	0.129	33%	0.328	C	S	.	.	H	α-helix	trans	-70.4	-44.3	177.5	177.7	89.8	0	0	0	110.8	T73 E76 F77 H80 P88 V89 V93 K94 T95 L164	T73-W91 HydrophobicContact CG2-CH2 3.82Å; T73-W91 HydrophobicContact CG2-CZ2 4.28Å; E76-W91 HydrophobicContact CB-CZ2 3.93Å; F77-W91 HydrophobicContact CB-CH2 3.76Å; F77-W91 HydrophobicContact CB-CZ3 3.75Å; F77-W91 AromaticContact CD2-CE3 3.85Å; F77-W91 HydrophobicContact CD2-CE3 3.85Å; F77-W91 HydrophobicContact CD2-CH2 4.36Å; F77-W91 AromaticContact CD2-CZ3 3.48Å; F77-W91 HydrophobicContact CD2-CZ3 3.48Å; F77-W91 VanDerWaalsContact CD2-CZ3 3.48Å; F77-W91 HydrophobicContact CG-CZ3 4.08Å; H80-W91 HydrophobicContact CB-CB 4.45Å; H80-W91 HydrophobicContact CB-CG 4.3Å; H80-W91 AromaticContact CD2-CD1 3.28Å; H80-W91 AromaticContact CD2-CE2 3.94Å; H80-W91 AromaticContact CD2-CG 3.78Å; H80-W91 AromaticContact CD2-NE1 3.37Å; H80-W91 PolarHBondContact CD2-NE1 3.47Å; H80-W91 AromaticContact CE1-CD1 3.66Å; H80-W91 AromaticContact CG-CD1 3.72Å; H80-W91 AromaticContact CG-CG 3.84Å; H80-W91 AromaticContact ND1-CD1 3.93Å; H80-W91 AromaticContact NE2-CD1 3.26Å; H80-W91 VanDerWaalsContact NE2-CD1 3.26Å; H80-W91 AromaticContact NE2-NE1 3.5Å; P88-W91 HydrophobicContact CB-CB 4.24Å; P88-W91 PolarHBondContact O-N 2.91Å; V89-W91 VanDerWaalsContact C-N 3.28Å; V89-W91 PolarHBondContact O-N 2.9Å; W91-V93 PolarHBondContact O-N 3.42Å; W91-K94 PolarHBondContact O-N 2.93Å; W91-T95 HydrophobicContact CH2-CG2 4.34Å; W91-T95 HydrophobicContact CZ2-CG2 4.41Å; W91-T95 VanDerWaalsContact O-CB 3.24Å; W91-T95 WeakPolarHBondContact O-CB 3.45Å; W91-T95 PolarHBondContact O-N 3.05Å; W91-T95 PolarHBondContact O-OG1 3Å; W91-L164 HydrophobicContact CH2-CD1 3.85Å; W91-L164 HydrophobicContact CZ3-CD1 3.9Å
92	L	96.9	Very high	94.2	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-47.1	176.6	-79.2	170.8	0	0	0	111	F77 M87 P88 V89 K94 T95 M96 V129 V160 L164 V184	F77-L92 HydrophobicContact CD2-CD2 4.02Å; F77-L92 HydrophobicContact CD2-CG 4.32Å; F77-L92 HydrophobicContact CE2-CD1 3.9Å; F77-L92 HydrophobicContact CE2-CD2 3.85Å; F77-L92 HydrophobicContact CE2-CG 3.93Å; M87-L92 HydrophobicContact CE-CD1 4.26Å; M87-L92 HydrophobicContact CG-CD1 3.73Å; M87-L92 HydrophobicContact SD-CD1 3.91Å; P88-L92 PolarHBondContact O-N 2.82Å; V89-L92 PolarHBondContact O-N 3.24Å; V89-L92 VanDerWaalsContact O-N 3.16Å; L92-K94 PolarHBondContact O-N 3.37Å; L92-T95 PolarHBondContact O-N 2.63Å; L92-M96 WeakPolarHBondContact O-CB 3.48Å; L92-M96 WeakPolarHBondContact O-CG 3.47Å; L92-M96 PolarHBondContact O-N 2.62Å; L92-V129 HydrophobicContact CB-CB 4.42Å; L92-V129 HydrophobicContact CB-CG1 4.07Å; L92-V129 HydrophobicContact CB-CG2 4.3Å; L92-V129 HydrophobicContact CD1-CB 4.28Å; L92-V129 HydrophobicContact CD1-CG2 4.19Å; L92-V160 HydrophobicContact CD2-CG1 4.04Å; L92-L164 HydrophobicContact CD2-CD1 4.41Å; L92-V184 HydrophobicContact CD1-CB 4.28Å; L92-V184 HydrophobicContact CD1-CG1 4.05Å; L92-V184 HydrophobicContact CD2-CG2 4.36Å
93	V	97.5	Very high	94.5	Very high	27 Å²	27	54.5 Å²	54.5	16%	0.164	32%	0.319	C	S	.	.	H	α-helix	trans	-58.8	-52	179.6	171.6	0	0	0	0	110.8	V89 W91 T95 M96 Q97 V103 T105 V129	V89-V93 HydrophobicContact CG1-CG2 4.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.5Å; V89-V93 PolarHBondContact O-N 2.9Å; W91-V93 PolarHBondContact O-N 3.42Å; V93-T95 VanDerWaalsContact C-N 3.32Å; V93-T95 PolarHBondContact O-N 3.45Å; V93-M96 PolarHBondContact O-N 2.78Å; V93-Q97 HydrophobicContact CG1-CG 4.38Å; V93-Q97 VanDerWaalsContact O-CB 3.31Å; V93-Q97 WeakPolarHBondContact O-CB 3.47Å; V93-Q97 WeakPolarHBondContact O-CG 3.46Å; V93-Q97 PolarHBondContact O-N 2.9Å; V93-V103 HydrophobicContact CB-CG1 4.41Å; V93-V103 HydrophobicContact CG1-CG1 4.32Å; V93-V103 HydrophobicContact CG2-CG1 4.18Å; V93-T105 HydrophobicContact CG2-CG2 3.68Å; V93-V129 HydrophobicContact CG2-CG1 4.15Å; V93-V129 HydrophobicContact CG2-CG2 4.37Å
94	K	97.3	Very high	94.7	Very high	147 Å²	147	47.9 Å²	47.9	64%	0.639	29%	0.291	S	S	*	.	H	α-helix	trans	-60.6	-41.8	178.1	-73.3	174.4	-176.7	175.2	0	112.1	D90 W91 L92 A98	D90-K94 WeakPolarHBondContact O-CB 3.4Å; D90-K94 VanDerWaalsContact O-CG 3.29Å; D90-K94 WeakPolarHBondContact O-CG 3.41Å; D90-K94 PolarHBondContact O-N 3.45Å; D90-K94 VanDerWaalsContact O-N 3.13Å; W91-K94 PolarHBondContact O-N 2.93Å; L92-K94 PolarHBondContact O-N 3.37Å; K94-A98 VanDerWaalsContact O-CB 3.31Å; K94-A98 WeakPolarHBondContact O-CB 3.43Å; K94-A98 PolarHBondContact O-N 3.33Å
95	T	97.1	Very high	95	Very high	25 Å²	25	45.4 Å²	45.4	15%	0.153	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-48.6	-178.6	-58.1	0	0	0	0	110.8	W91 L92 V93 Q97 A98 Q99 L164	W91-T95 HydrophobicContact CH2-CG2 4.34Å; W91-T95 HydrophobicContact CZ2-CG2 4.41Å; W91-T95 VanDerWaalsContact O-CB 3.24Å; W91-T95 WeakPolarHBondContact O-CB 3.45Å; W91-T95 PolarHBondContact O-N 3.05Å; W91-T95 PolarHBondContact O-OG1 3Å; L92-T95 PolarHBondContact O-N 2.63Å; V93-T95 VanDerWaalsContact C-N 3.32Å; V93-T95 PolarHBondContact O-N 3.45Å; T95-Q97 PolarHBondContact O-N 2.91Å; T95-A98 WeakPolarHBondContact O-CB 3.22Å; T95-A98 PolarHBondContact O-N 3.49Å; T95-Q99 WeakPolarHBondContact O-CG 3.23Å; T95-Q99 PolarHBondContact O-N 2.89Å; T95-Q99 VanDerWaalsContact O-N 3.1Å; T95-L164 HydrophobicContact CG2-CD1 4.11Å; T95-L164 HydrophobicContact CG2-CD2 4.45Å
96	M	97.3	Very high	95.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-37.5	178.1	-70.2	-179.8	101.1	0	0	112.4	L92 V93 Q99 G100 L101 V103 V129 L164 F182	L92-M96 WeakPolarHBondContact O-CB 3.48Å; L92-M96 WeakPolarHBondContact O-CG 3.47Å; L92-M96 PolarHBondContact O-N 2.62Å; V93-M96 PolarHBondContact O-N 2.78Å; M96-Q99 WeakPolarHBondContact O-CB 3.13Å; M96-Q99 PolarHBondContact O-N 3.38Å; M96-Q99 VanDerWaalsContact O-N 3.16Å; M96-G100 PolarHBondContact O-N 3.12Å; M96-L101 HydrophobicContact CB-CD1 4.07Å; M96-L101 HydrophobicContact CE-CD1 3.84Å; M96-L101 HydrophobicContact CG-CD1 4.3Å; M96-L101 WeakPolarHBondContact O-CB 3.4Å; M96-L101 PolarHBondContact O-N 3.46Å; M96-V103 HydrophobicContact CB-CB 4.46Å; M96-V103 HydrophobicContact CB-CG1 4.17Å; M96-V103 HydrophobicContact CB-CG2 3.4Å; M96-V103 VanDerWaalsContact CB-CG2 3.4Å; M96-V103 HydrophobicContact SD-CG1 4.32Å; M96-V129 HydrophobicContact SD-CG1 3.76Å; M96-L164 HydrophobicContact CG-CD2 3.52Å; M96-L164 HydrophobicContact SD-CD2 4.48Å; M96-F182 HydrophobicContact CE-CB 3.59Å; M96-F182 WeakPolarHBondContact CE-O 3.44Å
97	Q	96.8	Very high	96	Very high	105 Å²	105	43.8 Å²	43.8	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-40.9	173.7	-75.8	174.1	-13.6	0	0	111.6	V93 T95 Q99 G100 V103	V93-Q97 HydrophobicContact CG1-CG 4.38Å; V93-Q97 VanDerWaalsContact O-CB 3.31Å; V93-Q97 WeakPolarHBondContact O-CB 3.47Å; V93-Q97 WeakPolarHBondContact O-CG 3.46Å; V93-Q97 PolarHBondContact O-N 2.9Å; T95-Q97 PolarHBondContact O-N 2.91Å; Q97-Q99 PolarHBondContact O-N 2.71Å; Q97-G100 WeakPolarHBondContact O-CA 3.45Å; Q97-G100 PolarHBondContact O-N 3.04Å; Q97-V103 HydrophobicContact CB-CG2 4.43Å; Q97-V103 HydrophobicContact CG-CB 3.96Å; Q97-V103 HydrophobicContact CG-CG2 3.66Å
98	A	95.3	Very high	96.1	Very high	84 Å²	84	43.9 Å²	43.9	69%	0.694	25%	0.249	S	C	*	.	H	α-helix	trans	-63.6	-25.5	174.1	0	0	0	0	0	112.6	K94 T95 G100	K94-A98 VanDerWaalsContact O-CB 3.31Å; K94-A98 WeakPolarHBondContact O-CB 3.43Å; K94-A98 PolarHBondContact O-N 3.33Å; T95-A98 WeakPolarHBondContact O-CB 3.22Å; T95-A98 PolarHBondContact O-N 3.49Å; A98-G100 PolarHBondContact O-N 3.43Å
99	Q	92.7	Very high	96	Very high	32 Å²	32	45.3 Å²	45.3	15%	0.15	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	0.1	169.7	-56.8	-50.2	-19.9	0	0	114	T95 M96 Q97 L101 H168	T95-Q99 WeakPolarHBondContact O-CG 3.23Å; T95-Q99 PolarHBondContact O-N 2.89Å; T95-Q99 VanDerWaalsContact O-N 3.1Å; M96-Q99 WeakPolarHBondContact O-CB 3.13Å; M96-Q99 PolarHBondContact O-N 3.38Å; M96-Q99 VanDerWaalsContact O-N 3.16Å; Q97-Q99 PolarHBondContact O-N 2.71Å; Q99-L101 HydrophobicContact CB-CG 4.47Å; Q99-H168 HydrophobicContact CG-CB 4.43Å; Q99-H168 VanDerWaalsContact OE1-CB 3.23Å; Q99-H168 PolarHBondContact OE1-ND1 3.48Å
100	G	92.6	Very high	95.7	Very high	45 Å²	45	45.1 Å²	45.1	46%	0.464	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	26	177.8	0	0	0	0	0	114.5	M96 Q97 A98	M96-G100 PolarHBondContact O-N 3.12Å; Q97-G100 WeakPolarHBondContact O-CA 3.45Å; Q97-G100 PolarHBondContact O-N 3.04Å; A98-G100 PolarHBondContact O-N 3.43Å
101	L	96.2	Very high	95.2	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.058	25%	0.248	C	C	.	.			trans	-87.7	152.5	173.4	-57.9	-180	0	0	0	111.6	M96 Q99 V103 L133 A167 F182	M96-L101 HydrophobicContact CB-CD1 4.07Å; M96-L101 HydrophobicContact CE-CD1 3.84Å; M96-L101 HydrophobicContact CG-CD1 4.3Å; M96-L101 WeakPolarHBondContact O-CB 3.4Å; M96-L101 PolarHBondContact O-N 3.46Å; Q99-L101 HydrophobicContact CB-CG 4.47Å; L101-V103 HydrophobicContact CB-CG2 3.96Å; L101-V103 PolarHBondContact O-N 2.97Å; L101-L133 HydrophobicContact CD2-CB 3.74Å; L101-L133 HydrophobicContact CD2-CD1 4.3Å; L101-A167 HydrophobicContact CD1-CB 4.03Å; L101-F182 HydrophobicContact CD1-CD2 3.94Å; L101-F182 HydrophobicContact CD1-CG 4.49Å; L101-F182 HydrophobicContact CD2-CD2 4.12Å; L101-F182 HydrophobicContact CD2-CE2 4.19Å
102	E	96.4	Very high	94.6	Very high	75 Å²	75	42 Å²	42	35%	0.35	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	104	164.3	-67.5	174.3	-161.6	0	0	108.5	F104 G131 I132 R134	E102-F104 HydrophobicContact CB-CE2 3.81Å; E102-F104 HydrophobicContact CB-CZ 4.13Å; E102-F104 WeakPolarHBondContact O-CD2 3.21Å; E102-F104 WeakPolarHBondContact O-CE2 3.3Å; E102-G131 CarbonylContact O-C 3.58Å; E102-G131 WeakPolarHBondContact O-CA 3.37Å; E102-I132 HydrophobicContact CB-CB 4.39Å; E102-I132 PolarHBondContact N-O 3.09Å; E102-I132 PolarHBondContact O-N 3.36Å; E102-R134 VanDerWaalsContact OE1-CG 3.26Å; E102-R134 WeakPolarHBondContact OE1-CG 3.49Å; E102-R134 IonicContact OE1-NE 3.64Å; E102-R134 PolarHBondContact OE1-NE 3.41Å; E102-R134 IonicContact OE2-CZ 2.83Å; E102-R134 VanDerWaalsContact OE2-CZ 3.24Å; E102-R134 IonicContact OE2-NE 3.43Å; E102-R134 PolarHBondContact OE2-NE 2.78Å; E102-R134 IonicContact OE2-NH2 2.67Å; E102-R134 PolarHBondContact OE2-NH2 3.42Å
103	V	97.6	Very high	94	Very high	19 Å²	19	43.6 Å²	43.6	12%	0.115	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.1	-169.9	-168.7	0	0	0	0	112.1	V93 M96 Q97 L101 V129 Y130	V93-V103 HydrophobicContact CB-CG1 4.41Å; V93-V103 HydrophobicContact CG1-CG1 4.32Å; V93-V103 HydrophobicContact CG2-CG1 4.18Å; M96-V103 HydrophobicContact CB-CB 4.46Å; M96-V103 HydrophobicContact CB-CG1 4.17Å; M96-V103 HydrophobicContact CB-CG2 3.4Å; M96-V103 VanDerWaalsContact CB-CG2 3.4Å; M96-V103 HydrophobicContact SD-CG1 4.32Å; Q97-V103 HydrophobicContact CB-CG2 4.43Å; Q97-V103 HydrophobicContact CG-CB 3.96Å; Q97-V103 HydrophobicContact CG-CG2 3.66Å; L101-V103 HydrophobicContact CB-CG2 3.96Å; L101-V103 PolarHBondContact O-N 2.97Å; V103-V129 HydrophobicContact CG1-CG1 3.97Å; V103-Y130 WeakPolarHBondContact CA-O 3.42Å
104	F	97.3	Very high	93.4	Very high	37 Å²	37	42.4 Å²	42.4	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.8	-179	-54.2	-79.1	0	0	0	110.4	E102 Y130 I132 Q213	E102-F104 HydrophobicContact CB-CE2 3.81Å; E102-F104 HydrophobicContact CB-CZ 4.13Å; E102-F104 WeakPolarHBondContact O-CD2 3.21Å; E102-F104 WeakPolarHBondContact O-CE2 3.3Å; F104-Y130 HydrophobicContact CB-CD1 4.33Å; F104-Y130 HydrophobicContact CB-CD2 4.44Å; F104-Y130 HydrophobicContact CB-CE1 3.65Å; F104-Y130 HydrophobicContact CB-CE2 3.79Å; F104-Y130 VanDerWaalsContact CB-OH 3.3Å; F104-Y130 WeakPolarHBondContact CB-OH 3.22Å; F104-Y130 HydrophobicContact CD2-CD2 4.29Å; F104-Y130 AromaticContact CD2-CE2 3.64Å; F104-Y130 HydrophobicContact CD2-CE2 3.64Å; F104-Y130 HydrophobicContact CG-CE2 4.07Å; F104-Y130 AromaticContact CG-CZ 3.97Å; F104-Y130 PolarHBondContact N-O 3.28Å; F104-Y130 PolarHBondContact O-N 3.05Å; F104-I132 HydrophobicContact CD2-CD1 4.34Å; F104-I132 HydrophobicContact CD2-CG1 4.49Å; F104-I132 HydrophobicContact CE2-CD1 4.04Å; F104-I132 HydrophobicContact CE2-CG1 4.35Å; F104-Q213 HydrophobicContact CD1-CB 3.66Å; F104-Q213 HydrophobicContact CE1-CB 4.21Å; F104-Q213 HydrophobicContact CG-CB 4.49Å
105	T	96.8	Very high	92.3	Very high	45 Å²	45	36.2 Å²	36.2	28%	0.276	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.8	174.5	59.3	0	0	0	0	110	V89 V93 N128 V129	V89-T105 HydrophobicContact CG1-CG2 3.85Å; V93-T105 HydrophobicContact CG2-CG2 3.68Å; T105-N128 CarbonylContact C-O 3.54Å; T105-N128 WeakPolarHBondContact CA-O 3.49Å; T105-V129 HydrophobicContact CG2-CG2 4.12Å
106	Q	96	Very high	90.9	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	116.7	175.1	-177.2	-157.2	20.9	0	0	108.8	T127 N128 A194 S210 L212	Q106-T127 CarbonylContact O-C 3.42Å; Q106-T127 VanDerWaalsContact O-CA 3.3Å; Q106-T127 WeakPolarHBondContact O-CA 3.22Å; Q106-N128 HydrophobicContact CB-CB 4.37Å; Q106-N128 PolarHBondContact N-O 2.93Å; Q106-N128 PolarHBondContact O-N 2.84Å; Q106-N128 PolarHBondContact OE1-ND2 3.27Å; Q106-A194 PolarHBondContact NE2-O 3.5Å; Q106-S210 WeakPolarHBondContact CA-OG 3.21Å; Q106-L212 HydrophobicContact CB-CD2 4Å; Q106-L212 HydrophobicContact CG-CD2 3.86Å
107	S	95.7	Very high	89.1	Confident	65 Å²	65	39.5 Å²	39.5	46%	0.455	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	141.5	173.3	-54	0	0	0	0	109.8	S210	S107-S210 PolarHBondContact N-OG 2.88Å; S107-S210 PolarHBondContact O-N 3.36Å; S107-S210 PolarHBondContact O-OG 2.93Å
108	F	94.1	Very high	87.2	Confident	7 Å²	7	40.8 Å²	40.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155	175.7	66	-89.9	0	0	0	111.5	K125 G126 N128 I190 G191 A194 M207 D208 W209	F108-K125 WeakPolarHBondContact O-CA 3.5Å; F108-G126 WeakPolarHBondContact CD1-O 3.19Å; F108-G126 PolarHBondContact N-O 3.01Å; F108-G126 PolarHBondContact O-N 3.35Å; F108-N128 WeakPolarHBondContact CE1-OD1 3.31Å; F108-I190 HydrophobicContact CD2-CG2 4.34Å; F108-I190 HydrophobicContact CE2-CG2 3.81Å; F108-G191 VanDerWaalsContact CZ-CA 3.46Å; F108-A194 HydrophobicContact CB-CB 3.58Å; F108-A194 HydrophobicContact CD1-CB 3.92Å; F108-A194 HydrophobicContact CD2-CB 4.08Å; F108-A194 HydrophobicContact CG-CB 3.59Å; F108-M207 HydrophobicContact CB-SD 4.4Å; F108-M207 HydrophobicContact CD2-SD 4.21Å; F108-D208 CarbonylContact C-O 3.54Å; F108-D208 VanDerWaalsContact CA-O 3.25Å; F108-D208 WeakPolarHBondContact CA-O 3.47Å; F108-W209 HydrophobicContact CB-CB 4.37Å
109	S	93.3	Very high	85.4	Confident	33 Å²	33	39.6 Å²	39.6	23%	0.231	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.2	171.7	54.3	0	0	0	0	111.2	V124 D208	S109-V124 CarbonylContact C-O 3.55Å; S109-V124 WeakPolarHBondContact CA-O 3.44Å; S109-D208 PolarHBondContact N-O 3.25Å; S109-D208 PolarHBondContact O-N 3.24Å; S109-D208 WeakPolarHBondContact OG-CB 3.35Å
110	R	89.6	Confident	83.8	Confident	31 Å²	31	45.8 Å²	45.8	12%	0.117	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.6	175.9	-177.7	59.2	176	171.5	-4.7	110	L112 I123 V124 I190 T205 G206 M207 Y587 L588	R110-L112 HydrophobicContact CG-CD2 4.32Å; R110-I123 WeakPolarHBondContact O-CA 3.42Å; R110-V124 PolarHBondContact N-O 3.29Å; R110-V124 PolarHBondContact O-N 3.32Å; R110-I190 HydrophobicContact CB-CG2 4.43Å; R110-T205 PolarHBondContact NH1-O 3.14Å; R110-T205 PolarHBondContact NH2-O 3.23Å; R110-G206 PolarHBondContact NH1-O 2.95Å; R110-M207 HydrophobicContact CB-CE 4.21Å; R110-M207 HydrophobicContact CB-CG 4.27Å; R110-M207 HydrophobicContact CG-CE 4.31Å; R110-Y587 PolarHBondContact NH2-O 2.89Å; R110-L588 HydrophobicContact CG-CD2 3.99Å
111	T	87.1	Confident	82.5	Confident	86 Å²	86	50.8 Å²	50.8	53%	0.528	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.6	167.6	-50.7	0	0	0	0	108.6	Y122 I123	T111-Y122 CarbonylContact C-O 3.42Å; T111-Y122 VanDerWaalsContact CA-O 3.32Å; T111-Y122 WeakPolarHBondContact CA-O 3.46Å; T111-I123 HydrophobicContact CG2-CG1 4.3Å
112	L	84.4	Confident	81.3	Confident	9 Å²	9	55.5 Å²	55.5	5%	0.047	28%	0.277	C	S	.	.			trans	-80.2	147.9	175.3	-56.2	-172.7	0	0	0	109.9	R110 F114 D116 R121 Y122 V124 L588	R110-L112 HydrophobicContact CG-CD2 4.32Å; L112-F114 VanDerWaalsContact C-N 3.28Å; L112-F114 VanDerWaalsContact CB-O 3.24Å; L112-F114 WeakPolarHBondContact CB-O 3.48Å; L112-F114 PolarHBondContact O-N 3.45Å; L112-D116 HydrophobicContact CD1-CB 4.09Å; L112-R121 WeakPolarHBondContact CD1-O 3.45Å; L112-Y122 PolarHBondContact N-O 3.26Å; L112-V124 HydrophobicContact CD1-CG2 4.13Å; L112-V124 HydrophobicContact CD2-CG2 4.38Å; L112-V124 HydrophobicContact CG-CG2 4.25Å; L112-L588 HydrophobicContact CD2-CD1 4.36Å; L112-L588 HydrophobicContact CD2-CD2 3.43Å; L112-L588 VanDerWaalsContact CD2-CD2 3.43Å; L112-L588 HydrophobicContact CD2-CG 4.22Å
113	P	84.1	Confident	80.7	Confident	33 Å²	33	55.9 Å²	55.9	21%	0.214	28%	0.28	C	S	.	.	S	Bend	trans	-63.8	-36.3	174	27.3	-34.7	0	0	0	111.6	Q443 L584 Y587	P113-Q443 PolarHBondContact O-NE2 2.83Å; P113-L584 HydrophobicContact CG-CD1 3.98Å; P113-Y587 HydrophobicContact CB-CD2 4.47Å; P113-Y587 HydrophobicContact CB-CG 4.37Å; P113-Y587 HydrophobicContact CG-CD1 4.47Å; P113-Y587 HydrophobicContact CG-CD2 3.95Å; P113-Y587 HydrophobicContact CG-CG 3.85Å
114	F	83	Confident	80.1	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	28%	0.277	C	S	.	.	S	Bend	trans	-146.3	157.4	173.9	48.8	-91	0	0	0	108.1	L112 D116 T440 E454 T455 V458 I583 L584	L112-F114 VanDerWaalsContact C-N 3.28Å; L112-F114 VanDerWaalsContact CB-O 3.24Å; L112-F114 WeakPolarHBondContact CB-O 3.48Å; L112-F114 PolarHBondContact O-N 3.45Å; F114-D116 PolarHBondContact O-N 3Å; F114-T440 HydrophobicContact CD1-CG2 4.29Å; F114-T440 HydrophobicContact CE1-CG2 4.09Å; F114-E454 HydrophobicContact CB-CB 4.35Å; F114-T455 HydrophobicContact CD2-CG2 3.89Å; F114-T455 HydrophobicContact CE2-CG2 4.45Å; F114-V458 HydrophobicContact CB-CG2 4.27Å; F114-V458 HydrophobicContact CD1-CG1 4.37Å; F114-V458 HydrophobicContact CD1-CG2 3.73Å; F114-V458 HydrophobicContact CE1-CG1 3.99Å; F114-V458 HydrophobicContact CE1-CG2 4.19Å; F114-V458 HydrophobicContact CG-CG2 3.96Å; F114-V458 HydrophobicContact CZ-CG1 4.21Å; F114-I583 HydrophobicContact CE1-CG2 3.8Å; F114-I583 HydrophobicContact CZ-CB 4.21Å; F114-I583 HydrophobicContact CZ-CG2 4Å; F114-L584 HydrophobicContact CE2-CB 4.16Å; F114-L584 HydrophobicContact CE2-CD1 4.19Å; F114-L584 HydrophobicContact CZ-CB 3.92Å; F114-L584 HydrophobicContact CZ-CD1 4.18Å
115	P	75.9	Confident	79.8	Confident	16 Å²	16	60.6 Å²	60.6	10%	0.104	30%	0.3	C	S	.	.			trans	-58.6	139.7	-179.5	21	-31.1	0	0	0	111.2	Y122 E454 T455	P115-Y122 HydrophobicContact CB-CE2 4.47Å; P115-Y122 HydrophobicContact CG-CE2 4.28Å; P115-E454 WeakPolarHBondContact CD-OE2 3.38Å; P115-E454 HydrophobicContact CG-CB 4.16Å; P115-T455 WeakPolarHBondContact O-CG2 3.37Å
116	D	67.5	Low	79.6	Confident	21 Å²	21	58.8 Å²	58.8	11%	0.112	29%	0.29	C	S	.	.			trans	-67.9	132.9	168.5	177.9	18	0	0	0	109.3	L112 F114 N118 K119 E120 Q581 L584	L112-D116 HydrophobicContact CD1-CB 4.09Å; F114-D116 PolarHBondContact O-N 3Å; D116-N118 PolarHBondContact O-N 3.19Å; D116-N118 PolarHBondContact OD1-N 3.2Å; D116-K119 HydrophobicContact CB-CB 4.44Å; D116-K119 PolarHBondContact O-N 3.31Å; D116-E120 PolarHBondContact O-N 3.22Å; D116-Q581 PolarHBondContact OD1-NE2 3.14Å; D116-L584 HydrophobicContact CB-CD2 4.14Å
117	E	59.1	Low	79.5	Confident	73 Å²	73	60.2 Å²	60.2	34%	0.341	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.2	179.5	-73.7	175.2	-173.6	0	0	112	T455 S577 S580	E117-T455 HydrophobicContact CG-CG2 3.8Å; E117-S577 WeakPolarHBondContact OE2-CB 3.33Å; E117-S577 PolarHBondContact OE2-OG 3.37Å; E117-S580 PolarHBondContact OE1-OG 3.27Å
118	N	56.4	Low	79.6	Confident	132 Å²	132	57.1 Å²	57.1	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-20.6	-177.9	-65.1	-48.5	0	0	0	114.3	D116	D116-N118 PolarHBondContact O-N 3.19Å; D116-N118 PolarHBondContact OD1-N 3.2Å
119	K	58	Low	79.7	Confident	59 Å²	59	56.8 Å²	56.8	26%	0.257	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-15.7	-166.1	-67.7	176.8	-176.2	164.1	0	114.3	D116 R121	D116-K119 HydrophobicContact CB-CB 4.44Å; D116-K119 PolarHBondContact O-N 3.31Å; K119-R121 VanDerWaalsContact O-CG 3.3Å; K119-R121 WeakPolarHBondContact O-CG 3.4Å; K119-R121 PolarHBondContact O-N 3.44Å
120	E	59.4	Low	79.9	Confident	163 Å²	163	55.2 Å²	55.2	76%	0.762	26%	0.264	S	S	*	.			trans	47.7	34.9	179.9	-63.8	-175.4	168.3	0	0	113.8	D116	D116-E120 PolarHBondContact O-N 3.22Å
121	R	65.2	Low	80.3	Confident	150 Å²	150	53.8 Å²	53.8	57%	0.566	26%	0.259	S	S	*	.			trans	-121.2	123.9	-175.5	-77.7	170.8	-166.8	-163	3.5	111.1	L112 K119 I123	L112-R121 WeakPolarHBondContact CD1-O 3.45Å; K119-R121 VanDerWaalsContact O-CG 3.3Å; K119-R121 WeakPolarHBondContact O-CG 3.4Å; K119-R121 PolarHBondContact O-N 3.44Å; R121-I123 VanDerWaalsContact C-N 3.34Å
122	Y	71.4	Confident	80.8	Confident	109 Å²	109	49.8 Å²	49.8	43%	0.427	23%	0.234	S	C	.	.	S	Bend	trans	-73.2	-26.3	172.4	-70.5	-97.7	0	0	0	113.4	T111 L112 P115 E454	T111-Y122 CarbonylContact C-O 3.42Å; T111-Y122 VanDerWaalsContact CA-O 3.32Å; T111-Y122 WeakPolarHBondContact CA-O 3.46Å; L112-Y122 PolarHBondContact N-O 3.26Å; P115-Y122 HydrophobicContact CB-CE2 4.47Å; P115-Y122 HydrophobicContact CG-CE2 4.28Å; Y122-E454 WeakPolarHBondContact CE1-OE1 3.32Å; Y122-E454 WeakPolarHBondContact CE1-OE2 3.36Å; Y122-E454 PolarHBondContact OH-OE1 3.23Å; Y122-E454 PolarHBondContact OH-OE2 2.94Å; Y122-E454 VanDerWaalsContact OH-OE2 3.06Å
123	I	82.8	Confident	81.3	Confident	84 Å²	84	50 Å²	50	43%	0.431	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.5	-179.2	-55.4	176.5	0	0	0	108	R110 T111 R121 K125	R110-I123 WeakPolarHBondContact O-CA 3.42Å; T111-I123 HydrophobicContact CG2-CG1 4.3Å; R121-I123 VanDerWaalsContact C-N 3.34Å; I123-K125 HydrophobicContact CG2-CD 4.48Å; I123-K125 HydrophobicContact CG2-CG 3.83Å
124	V	86	Confident	81.8	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.2	171.4	-177.3	0	0	0	0	107.3	S109 R110 L112 H187 I190	S109-V124 CarbonylContact C-O 3.55Å; S109-V124 WeakPolarHBondContact CA-O 3.44Å; R110-V124 PolarHBondContact N-O 3.29Å; R110-V124 PolarHBondContact O-N 3.32Å; L112-V124 HydrophobicContact CD1-CG2 4.13Å; L112-V124 HydrophobicContact CD2-CG2 4.38Å; L112-V124 HydrophobicContact CG-CG2 4.25Å; V124-H187 HydrophobicContact CG1-CB 4.16Å; V124-H187 WeakPolarHBondContact CG1-CD2 3.36Å; V124-I190 HydrophobicContact CB-CD1 4.44Å; V124-I190 HydrophobicContact CG1-CD1 4.14Å; V124-I190 HydrophobicContact CG1-CG2 4.4Å; V124-I190 HydrophobicContact CG2-CD1 4.24Å
125	K	90.3	Very high	82.2	Confident	149 Å²	149	51.1 Å²	51.1	65%	0.648	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.9	172.5	-62.2	-173.3	178.3	179.4	0	108.1	F108 I123 H187	F108-K125 WeakPolarHBondContact O-CA 3.5Å; I123-K125 HydrophobicContact CG2-CD 4.48Å; I123-K125 HydrophobicContact CG2-CG 3.83Å; K125-H187 PolarHBondContact O-NE2 3Å
126	G	91.8	Very high	82.8	Confident	6 Å²	6	54.1 Å²	54.1	6%	0.062	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	171	177.2	0	0	0	0	0	111.8	F108 E186	F108-G126 WeakPolarHBondContact CD1-O 3.19Å; F108-G126 PolarHBondContact N-O 3.01Å; F108-G126 PolarHBondContact O-N 3.35Å; G126-E186 VanDerWaalsContact CA-OE2 3.24Å; G126-E186 WeakPolarHBondContact CA-OE2 3.26Å
127	T	95.1	Very high	83.4	Confident	30 Å²	30	62 Å²	62	18%	0.184	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.2	171	-56.3	0	0	0	0	108.2	M87 V89 Q106 E186	M87-T127 WeakPolarHBondContact CE-O 3.39Å; V89-T127 HydrophobicContact CG1-CG2 4.14Å; V89-T127 HydrophobicContact CG2-CG2 4.07Å; Q106-T127 CarbonylContact O-C 3.42Å; Q106-T127 VanDerWaalsContact O-CA 3.3Å; Q106-T127 WeakPolarHBondContact O-CA 3.22Å; T127-E186 PolarHBondContact N-OE2 3.3Å; T127-E186 VanDerWaalsContact O-CB 3.24Å; T127-E186 WeakPolarHBondContact O-CB 3.28Å
128	N	96.1	Very high	84.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	144.4	166.9	-61	-39.8	0	0	0	109	T105 Q106 F108 L183 N185 E186 G191	T105-N128 CarbonylContact C-O 3.54Å; T105-N128 WeakPolarHBondContact CA-O 3.49Å; Q106-N128 HydrophobicContact CB-CB 4.37Å; Q106-N128 PolarHBondContact N-O 2.93Å; Q106-N128 PolarHBondContact O-N 2.84Å; Q106-N128 PolarHBondContact OE1-ND2 3.27Å; F108-N128 WeakPolarHBondContact CE1-OD1 3.31Å; N128-L183 HydrophobicContact CB-CD1 4.31Å; N128-N185 VanDerWaalsContact OD1-CA 3.23Å; N128-N185 WeakPolarHBondContact OD1-CA 3.14Å; N128-N185 WeakPolarHBondContact OD1-CB 3.33Å; N128-E186 PolarHBondContact OD1-N 3.43Å; N128-E186 VanDerWaalsContact OD1-N 3.14Å; N128-G191 PolarHBondContact ND2-O 2.82Å; N128-G191 WeakPolarHBondContact OD1-CA 3.45Å
129	V	97.3	Very high	85.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.7	172.1	177.4	0	0	0	0	108.1	M87 V89 L92 V93 M96 V103 T105 V184	M87-V129 HydrophobicContact CE-CB 4.23Å; M87-V129 HydrophobicContact CE-CG2 3.45Å; M87-V129 VanDerWaalsContact CE-CG2 3.45Å; V89-V129 HydrophobicContact CB-CG2 4.43Å; V89-V129 HydrophobicContact CG1-CG2 3.8Å; L92-V129 HydrophobicContact CB-CB 4.42Å; L92-V129 HydrophobicContact CB-CG1 4.07Å; L92-V129 HydrophobicContact CB-CG2 4.3Å; L92-V129 HydrophobicContact CD1-CB 4.28Å; L92-V129 HydrophobicContact CD1-CG2 4.19Å; V93-V129 HydrophobicContact CG2-CG1 4.15Å; V93-V129 HydrophobicContact CG2-CG2 4.37Å; M96-V129 HydrophobicContact SD-CG1 3.76Å; V103-V129 HydrophobicContact CG1-CG1 3.97Å; T105-V129 HydrophobicContact CG2-CG2 4.12Å; V129-V184 PolarHBondContact N-O 3.18Å; V129-V184 PolarHBondContact O-N 3.42Å
130	Y	97.6	Very high	86.9	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145	174.3	64.8	-78.3	0	0	0	111.5	V103 F104 I132 I181 F182 W195 L212 G214	V103-Y130 WeakPolarHBondContact CA-O 3.42Å; F104-Y130 HydrophobicContact CB-CD1 4.33Å; F104-Y130 HydrophobicContact CB-CD2 4.44Å; F104-Y130 HydrophobicContact CB-CE1 3.65Å; F104-Y130 HydrophobicContact CB-CE2 3.79Å; F104-Y130 VanDerWaalsContact CB-OH 3.3Å; F104-Y130 WeakPolarHBondContact CB-OH 3.22Å; F104-Y130 HydrophobicContact CD2-CD2 4.29Å; F104-Y130 AromaticContact CD2-CE2 3.64Å; F104-Y130 HydrophobicContact CD2-CE2 3.64Å; F104-Y130 HydrophobicContact CG-CE2 4.07Å; F104-Y130 AromaticContact CG-CZ 3.97Å; F104-Y130 PolarHBondContact N-O 3.28Å; F104-Y130 PolarHBondContact O-N 3.05Å; Y130-I132 HydrophobicContact CD2-CD1 4.48Å; Y130-I132 HydrophobicContact CD2-CG1 4.16Å; Y130-I132 HydrophobicContact CE2-CD1 4.19Å; Y130-I132 HydrophobicContact CE2-CG1 4.33Å; Y130-I181 HydrophobicContact CD2-CG2 4.35Å; Y130-F182 CarbonylContact C-O 3.47Å; Y130-F182 WeakPolarHBondContact CA-O 3.47Å; Y130-F182 WeakPolarHBondContact CB-O 3.17Å; Y130-W195 AromaticContact CD1-CD1 3.95Å; Y130-W195 AromaticContact CD1-NE1 3.49Å; Y130-W195 AromaticContact CE1-NE1 3.84Å; Y130-W195 AromaticContact CG-NE1 3.66Å; Y130-L212 HydrophobicContact CE1-CD2 3.88Å; Y130-G214 WeakPolarHBondContact CE2-O 3.45Å; Y130-G214 PolarHBondContact OH-N 2.87Å; Y130-G214 PolarHBondContact OH-O 2.82Å
131	G	97.6	Very high	88.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.5	175.8	0	0	0	0	0	110.7	E102 F182	E102-G131 CarbonylContact O-C 3.58Å; E102-G131 WeakPolarHBondContact O-CA 3.37Å; G131-F182 PolarHBondContact N-O 2.67Å; G131-F182 PolarHBondContact O-N 2.89Å
132	I	97.3	Very high	89.8	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.9	179.2	-49.8	180	0	0	0	109	E102 F104 Y130 D179 I181	E102-I132 HydrophobicContact CB-CB 4.39Å; E102-I132 PolarHBondContact N-O 3.09Å; E102-I132 PolarHBondContact O-N 3.36Å; F104-I132 HydrophobicContact CD2-CD1 4.34Å; F104-I132 HydrophobicContact CD2-CG1 4.49Å; F104-I132 HydrophobicContact CE2-CD1 4.04Å; F104-I132 HydrophobicContact CE2-CG1 4.35Å; Y130-I132 HydrophobicContact CD2-CD1 4.48Å; Y130-I132 HydrophobicContact CD2-CG1 4.16Å; Y130-I132 HydrophobicContact CE2-CD1 4.19Å; Y130-I132 HydrophobicContact CE2-CG1 4.33Å; I132-D179 HydrophobicContact CG2-CB 4.23Å; I132-I181 HydrophobicContact CG1-CG1 4.4Å
133	L	96.1	Very high	90.9	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.068	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.9	164.4	177.8	64	0	0	0	108.6	L101 F170 R171 D179 I180 F182	L101-L133 HydrophobicContact CD2-CB 3.74Å; L101-L133 HydrophobicContact CD2-CD1 4.3Å; L133-F170 HydrophobicContact CD2-CB 3.73Å; L133-R171 HydrophobicContact CD1-CB 4.29Å; L133-R171 VanDerWaalsContact CD1-CD 3.49Å; L133-D179 CarbonylContact O-C 3.43Å; L133-D179 WeakPolarHBondContact O-CA 3.28Å; L133-I180 HydrophobicContact CB-CB 4.29Å; L133-I180 PolarHBondContact N-O 3.26Å; L133-I180 PolarHBondContact O-N 2.88Å; L133-F182 HydrophobicContact CB-CE2 4.02Å; L133-F182 HydrophobicContact CD2-CE2 4.42Å
134	R	94.4	Very high	91.6	Very high	51 Å²	51	44.5 Å²	44.5	19%	0.192	22%	0.223	C	C	.	.			trans	-76.2	137.6	-179	-60.9	-60.5	-169.8	178.7	-6.3	112.2	E102 P136 D179 R215	E102-R134 VanDerWaalsContact OE1-CG 3.26Å; E102-R134 WeakPolarHBondContact OE1-CG 3.49Å; E102-R134 IonicContact OE1-NE 3.64Å; E102-R134 PolarHBondContact OE1-NE 3.41Å; E102-R134 IonicContact OE2-CZ 2.83Å; E102-R134 VanDerWaalsContact OE2-CZ 3.24Å; E102-R134 IonicContact OE2-NE 3.43Å; E102-R134 PolarHBondContact OE2-NE 2.78Å; E102-R134 IonicContact OE2-NH2 2.67Å; E102-R134 PolarHBondContact OE2-NH2 3.42Å; R134-P136 WeakPolarHBondContact O-CD 3.25Å; R134-D179 VanDerWaalsContact CA-OD1 3.31Å; R134-D179 WeakPolarHBondContact CA-OD1 3.35Å; R134-D179 VanDerWaalsContact CD-OD2 3.28Å; R134-D179 WeakPolarHBondContact CD-OD2 3.47Å; R134-D179 IonicContact CZ-OD2 3.61Å; R134-D179 IonicContact NE-OD2 3.07Å; R134-D179 IonicContact NH1-OD2 3.57Å; R134-D179 PolarHBondContact NH1-OD2 3.4Å; R134-R215 PolarHBondContact NH1-O 2.83Å; R134-R215 PolarHBondContact NH2-O 2.81Å
135	A	91.8	Very high	92.1	Very high	8 Å²	8	44.2 Å²	44.2	7%	0.066	22%	0.221	C	C	.	.			trans	-61.5	127.6	176.6	0	0	0	0	0	111.3	A177 D179	A135-A177 WeakPolarHBondContact CB-O 3.31Å; A135-D179 PolarHBondContact N-OD1 2.71Å
136	P	87.3	Confident	92.5	Very high	80 Å²	80	37.1 Å²	37.1	52%	0.519	19%	0.19	S	C	.	.	S	Bend	trans	-77.3	-28.1	174.5	27.5	-33.7	0	0	0	113.9	R134 V174 W176	R134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-V174 WeakPolarHBondContact CG-O 3.38Å; P136-W176 VanDerWaalsContact CD-O 3.23Å; P136-W176 WeakPolarHBondContact CD-O 3.45Å
137	R	81.1	Confident	92.8	Very high	186 Å²	186	36.9 Å²	36.9	70%	0.702	19%	0.187	S	C	*	.	S	Bend	trans	-100.9	-18	-168	-64.1	-174.3	110.1	-178.2	1.3	116.3	V174 W176	R137-V174 VanDerWaalsContact CD-O 3.24Å; R137-V174 WeakPolarHBondContact CD-O 3.35Å; R137-V174 WeakPolarHBondContact CG-O 3.44Å; R137-W176 PolarHBondContact N-O 3.03Å
138	A	81.6	Confident	92.8	Very high	36 Å²	36	35.4 Å²	35.4	30%	0.298	18%	0.179	S	C	.	.	S	Bend	trans	-141.6	160.8	-166.1	0	0	0	0	0	111.5	R140 A177	A138-R140 PolarHBondContact O-N 2.84Å; A138-A177 HydrophobicContact CB-CB 4Å; A138-A177 WeakPolarHBondContact CB-O 3.22Å
139	P	77.6	Confident	92.7	Very high	94 Å²	94	35.5 Å²	35.5	61%	0.61	18%	0.179	S	C	*	.			trans	-60.5	131.4	175.5	25.5	-33.6	0	0	0	109.3	T141	P139-T141 HydrophobicContact CB-CG2 4.07Å; P139-T141 PolarHBondContact O-N 3.15Å; P139-T141 PolarHBondContact O-OG1 2.82Å; P139-T141 VanDerWaalsContact O-OG1 3.11Å
140	R	87	Confident	92.4	Very high	138 Å²	138	35.9 Å²	35.9	52%	0.521	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	43.8	-175.4	-58.7	169.6	178.2	-164	-0.4	113.4	A138	A138-R140 PolarHBondContact O-N 2.84Å
141	T	90.4	Very high	91.5	Very high	90 Å²	90	36.8 Å²	36.8	55%	0.552	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.7	-171.8	52.8	0	0	0	0	112.3	P139 G217 S218	P139-T141 HydrophobicContact CB-CG2 4.07Å; P139-T141 PolarHBondContact O-N 3.15Å; P139-T141 PolarHBondContact O-OG1 2.82Å; P139-T141 VanDerWaalsContact O-OG1 3.11Å; T141-G217 VanDerWaalsContact C-CA 3.41Å; T141-G217 CarbonylContact O-C 3.49Å; T141-G217 WeakPolarHBondContact O-CA 3.37Å; T141-S218 PolarHBondContact O-N 2.98Å
142	E	94.3	Very high	90.3	Very high	45 Å²	45	40.4 Å²	40.4	21%	0.21	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.5	179.7	-59.9	-172.1	140.5	0	0	110.7	K178 D179 S218 Q220	E142-K178 HydrophobicContact CB-CB 4.37Å; E142-K178 HydrophobicContact CB-CD 4.15Å; E142-K178 HydrophobicContact CB-CG 3.86Å; E142-K178 WeakPolarHBondContact OE2-CE 3.42Å; E142-K178 IonicContact OE2-NZ 3.91Å; E142-K178 PolarHBondContact OE2-NZ 3.43Å; E142-D179 PolarHBondContact O-N 3.45Å; E142-S218 CarbonylContact C-O 3.51Å; E142-S218 WeakPolarHBondContact CA-O 3.24Å; E142-Q220 HydrophobicContact CB-CG 4.05Å; E142-Q220 HydrophobicContact CG-CG 4.26Å; E142-Q220 PolarHBondContact OE1-NE2 3.01Å
143	A	95.4	Very high	89.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.8	179.5	0	0	0	0	0	112.9	D179 I181 S218 I219 Q220	A143-D179 CarbonylContact C-O 3.51Å; A143-D179 WeakPolarHBondContact CA-O 3.24Å; A143-D179 HydrophobicContact CB-CB 4.2Å; A143-I181 HydrophobicContact CB-CD1 3.98Å; A143-I181 HydrophobicContact CB-CG1 4.33Å; A143-S218 PolarHBondContact N-O 3.26Å; A143-I219 HydrophobicContact CB-CG1 4.43Å; A143-I219 CarbonylContact O-C 3.57Å; A143-I219 WeakPolarHBondContact O-CA 3.39Å; A143-Q220 PolarHBondContact O-N 2.94Å
144	L	97	Very high	88.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148	165.8	-59.8	177.1	0	0	0	108.7	K178 D179 I180 I181 Q220 A221 F343 L346 N347	L144-K178 HydrophobicContact CD1-CD 4.36Å; L144-K178 HydrophobicContact CD2-CD 3.91Å; L144-K178 HydrophobicContact CG-CB 4.17Å; L144-K178 HydrophobicContact CG-CD 3.92Å; L144-D179 PolarHBondContact N-O 2.8Å; L144-I180 WeakPolarHBondContact O-CA 3.43Å; L144-I181 PolarHBondContact O-N 2.85Å; L144-Q220 HydrophobicContact CD2-CB 4.24Å; L144-A221 WeakPolarHBondContact CA-O 3.42Å; L144-A221 HydrophobicContact CD2-CB 4.12Å; L144-F343 HydrophobicContact CB-CD1 4.2Å; L144-F343 HydrophobicContact CB-CE1 3.8Å; L144-F343 HydrophobicContact CD1-CD1 3.87Å; L144-F343 HydrophobicContact CD1-CE1 4.31Å; L144-L346 HydrophobicContact CD1-CB 3.96Å; L144-L346 HydrophobicContact CD2-CB 3.95Å; L144-N347 HydrophobicContact CD1-CB 4.17Å
145	V	97.9	Very high	87.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.5	179.2	-179.5	0	0	0	0	110.4	I181 L183 W195 I219 A221 A222 L223 F309	V145-I181 CarbonylContact C-O 3.58Å; V145-I181 WeakPolarHBondContact CA-O 3.37Å; V145-I181 HydrophobicContact CG2-CB 4.13Å; V145-I181 HydrophobicContact CG2-CD1 4.25Å; V145-L183 HydrophobicContact CG1-CB 4.43Å; V145-W195 HydrophobicContact CG2-CH2 3.99Å; V145-W195 HydrophobicContact CG2-CZ3 4.4Å; V145-I219 HydrophobicContact CG2-CD1 3.95Å; V145-I219 HydrophobicContact CG2-CG1 4.03Å; V145-I219 HydrophobicContact CG2-CG2 3.69Å; V145-A221 PolarHBondContact N-O 3.38Å; V145-A222 HydrophobicContact CB-CB 3.8Å; V145-A222 HydrophobicContact CG1-CB 4.44Å; V145-A222 CarbonylContact O-C 3.53Å; V145-A222 VanDerWaalsContact O-CA 3.3Å; V145-A222 WeakPolarHBondContact O-CA 3.32Å; V145-L223 PolarHBondContact O-N 2.64Å; V145-F309 HydrophobicContact CB-CE1 4.34Å; V145-F309 HydrophobicContact CB-CZ 4.49Å; V145-F309 HydrophobicContact CG1-CE1 4.33Å; V145-F309 HydrophobicContact CG1-CZ 4.04Å; V145-F309 HydrophobicContact CG2-CE1 4.28Å
146	L	98.1	Very high	87.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.4	162.4	-173	59	0	0	0	108.2	L163 L166 I181 F182 L183 L223 L225 F343	L146-L163 HydrophobicContact CD2-CB 4.41Å; L146-L163 HydrophobicContact CD2-CG 4.19Å; L146-L163 HydrophobicContact CG-CD1 4.34Å; L146-L163 HydrophobicContact CG-CG 4.32Å; L146-L166 HydrophobicContact CD2-CB 4.4Å; L146-L166 HydrophobicContact CD2-CD1 3.82Å; L146-I181 PolarHBondContact N-O 3.41Å; L146-F182 HydrophobicContact CB-CD1 4.04Å; L146-F182 HydrophobicContact CB-CE1 4.32Å; L146-F182 HydrophobicContact CD2-CD1 3.99Å; L146-F182 HydrophobicContact CD2-CE1 3.86Å; L146-F182 HydrophobicContact CG-CD1 4.5Å; L146-F182 CarbonylContact O-C 3.57Å; L146-F182 WeakPolarHBondContact O-CA 3.27Å; L146-L183 PolarHBondContact O-N 3.17Å; L146-L223 WeakPolarHBondContact CA-O 3.46Å; L146-L223 HydrophobicContact CD1-CB 4.22Å; L146-L223 WeakPolarHBondContact CD1-O 3.45Å; L146-L225 HydrophobicContact CD1-CD1 3.75Å; L146-L225 HydrophobicContact CD1-CD2 4.39Å; L146-L225 HydrophobicContact CD1-CG 3.83Å; L146-L225 HydrophobicContact CD2-CD1 4.3Å; L146-L225 HydrophobicContact CG-CD1 4.24Å; L146-F343 HydrophobicContact CB-CE1 4.38Å; L146-F343 HydrophobicContact CB-CE2 4.19Å; L146-F343 HydrophobicContact CB-CZ 3.6Å; L146-F343 HydrophobicContact CD1-CE2 3.72Å; L146-F343 HydrophobicContact CD1-CZ 3.96Å; L146-F343 HydrophobicContact CG-CE2 4.36Å; L146-F343 HydrophobicContact CG-CZ 4.26Å
147	S	97.4	Very high	88	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.3	180	59.4	0	0	0	0	112.9	L183 L223 S224 L225	S147-L183 CarbonylContact C-O 3.53Å; S147-L183 VanDerWaalsContact CA-O 3.24Å; S147-L183 WeakPolarHBondContact CA-O 3.45Å; S147-L223 PolarHBondContact N-O 3.43Å; S147-S224 CarbonylContact O-C 3.26Å; S147-S224 WeakPolarHBondContact O-CA 3.4Å; S147-S224 WeakPolarHBondContact OG-CA 3.48Å; S147-S224 WeakPolarHBondContact OG-CB 3.25Å; S147-S224 PolarHBondContact OG-OG 3.38Å; S147-L225 PolarHBondContact O-N 3.15Å
148	A	96.1	Very high	88.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	117.8	168	0	0	0	0	0	109.6	A159 V160 L163 L183 V184 N185	A148-A159 HydrophobicContact CB-CB 3.9Å; A148-V160 HydrophobicContact CB-CG2 4.11Å; A148-L163 HydrophobicContact CB-CD1 3.74Å; A148-L183 PolarHBondContact N-O 2.78Å; A148-V184 WeakPolarHBondContact O-CA 3.28Å; A148-N185 PolarHBondContact O-OD1 3.34Å
149	P	93.5	Very high	89.3	Confident	2 Å²	2	34 Å²	34	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.3	179.2	22.9	-31	0	0	0	112.1	S151 N156 N185 D188 E226 D305	P149-S151 VanDerWaalsContact C-N 3.35Å; P149-S151 PolarHBondContact O-N 2.8Å; P149-N156 WeakPolarHBondContact CD-ND2 3Å; P149-N156 WeakPolarHBondContact CG-ND2 3.37Å; P149-N156 WeakPolarHBondContact O-CB 3.39Å; P149-N156 PolarHBondContact O-ND2 2.96Å; P149-N185 WeakPolarHBondContact CA-OD1 3.22Å; P149-D188 HydrophobicContact CB-CB 4.41Å; P149-E226 HydrophobicContact CG-CG 4.33Å; P149-D305 WeakPolarHBondContact CD-OD2 3.32Å
150	C	90.3	Very high	90.1	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.047	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	77.3	168.6	-179.5	0	0	0	0	109.5	F77 M87 V184 N185	F77-C150 HydrophobicContact CZ-CB 4.35Å; M87-C150 HydrophobicContact CG-CB 4.13Å; M87-C150 HydrophobicContact SD-CB 4.25Å; C150-V184 HydrophobicContact CB-CG1 4.05Å; C150-N185 PolarHBondContact N-O 3.49Å
151	S	79.3	Confident	90.5	Very high	21 Å²	21	23 Å²	23	15%	0.147	14%	0.143	C	C	.	.			trans	-63.9	151.6	176.6	-46	0	0	0	0	111.4	K81 P149 D188	K81-S151 VanDerWaalsContact CE-O 3.24Å; K81-S151 WeakPolarHBondContact CE-O 3.31Å; K81-S151 PolarHBondContact NZ-O 3.45Å; P149-S151 VanDerWaalsContact C-N 3.35Å; P149-S151 PolarHBondContact O-N 2.8Å; S151-D188 VanDerWaalsContact CA-OD1 3.27Å; S151-D188 WeakPolarHBondContact CA-OD1 3.24Å; S151-D188 VanDerWaalsContact CB-OD1 3.24Å; S151-D188 WeakPolarHBondContact CB-OD1 3.49Å; S151-D188 PolarHBondContact OG-OD1 3.45Å
152	P	73.1	Confident	90.8	Very high	76 Å²	76	18.8 Å²	18.8	49%	0.494	12%	0.117	S	C	.	.	S	Bend	trans	-60.1	151.2	172.9	24.7	-32.4	0	0	0	112
153	G	77.2	Confident	91	Very high	50 Å²	50	16.6 Å²	16.6	52%	0.515	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-156.5	-178.6	0	0	0	0	0	114.4	K81 N155	K81-G153 WeakPolarHBondContact CE-O 3.45Å; K81-G153 PolarHBondContact NZ-O 2.94Å; G153-N155 VanDerWaalsContact C-N 3.28Å; G153-N155 PolarHBondContact O-N 3.38Å
154	D	74.3	Confident	91	Very high	86 Å²	86	16.8 Å²	16.8	46%	0.46	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	9	-177.8	-82.1	-13.9	0	0	0	114.1	K82 N157	K82-D154 WeakPolarHBondContact CE-OD1 3.41Å; K82-D154 WeakPolarHBondContact CE-OD2 3.43Å; K82-D154 IonicContact NZ-OD1 2.83Å; K82-D154 PolarHBondContact NZ-OD1 2.88Å; K82-D154 IonicContact NZ-OD2 2.8Å; K82-D154 PolarHBondContact NZ-OD2 3.03Å; D154-N157 PolarHBondContact O-ND2 3.05Å
155	N	83.4	Confident	91	Very high	84 Å²	84	17.1 Å²	17.1	45%	0.449	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	152.6	179.6	-65.3	-24.2	0	0	0	111.9	K81 G153 N157	K81-N155 PolarHBondContact NZ-O 3.26Å; G153-N155 VanDerWaalsContact C-N 3.28Å; G153-N155 PolarHBondContact O-N 3.38Å; N155-N157 PolarHBondContact O-N 3.34Å
156	N	90.4	Very high	90.9	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.011	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	7.2	172.2	-145.8	29.6	0	0	0	118.6	P149 Q158 A159 V160 L225 E226 L227	P149-N156 WeakPolarHBondContact CD-ND2 3Å; P149-N156 WeakPolarHBondContact CG-ND2 3.37Å; P149-N156 WeakPolarHBondContact O-CB 3.39Å; P149-N156 PolarHBondContact O-ND2 2.96Å; N156-Q158 PolarHBondContact O-N 3.16Å; N156-A159 PolarHBondContact O-N 3.45Å; N156-A159 VanDerWaalsContact O-N 3.11Å; N156-A159 WeakPolarHBondContact OD1-CB 3.4Å; N156-V160 PolarHBondContact O-N 2.95Å; N156-L225 PolarHBondContact ND2-O 2.88Å; N156-L225 VanDerWaalsContact ND2-O 3.16Å; N156-L225 PolarHBondContact OD1-O 2.82Å; N156-E226 VanDerWaalsContact OD1-CA 3.22Å; N156-E226 WeakPolarHBondContact OD1-CA 3.4Å; N156-L227 WeakPolarHBondContact CA-O 3.47Å; N156-L227 PolarHBondContact OD1-N 3.38Å
157	N	93.4	Very high	90.8	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.043	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-31.7	-179.6	-62.7	-36.2	0	0	0	112.5	G74 F77 A78 K81 D154 N155 V160 G161	G74-N157 WeakPolarHBondContact CA-O 3.41Å; F77-N157 HydrophobicContact CD1-CB 4.1Å; F77-N157 WeakPolarHBondContact CD1-OD1 3.22Å; F77-N157 WeakPolarHBondContact CE1-OD1 3.28Å; A78-N157 HydrophobicContact CB-CB 4.11Å; A78-N157 VanDerWaalsContact CB-ND2 3.33Å; A78-N157 WeakPolarHBondContact CB-ND2 3.42Å; K81-N157 WeakPolarHBondContact CD-OD1 3.33Å; K81-N157 PolarHBondContact NZ-OD1 2.89Å; D154-N157 PolarHBondContact O-ND2 3.05Å; N155-N157 PolarHBondContact O-N 3.34Å; N157-V160 PolarHBondContact O-N 3.41Å; N157-G161 PolarHBondContact O-N 2.78Å
158	Q	93.4	Very high	90.7	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-74.4	-27.5	179.3	-49.9	-48.3	-8.1	0	0	113.3	L71 N156 G161 L162 L227 D230	L71-Q158 HydrophobicContact CD2-CG 4.33Å; N156-Q158 PolarHBondContact O-N 3.16Å; Q158-G161 PolarHBondContact O-N 3.37Å; Q158-L162 WeakPolarHBondContact O-CB 2.8Å; Q158-L162 PolarHBondContact O-N 2.95Å; Q158-L227 HydrophobicContact CB-CB 4.11Å; Q158-D230 PolarHBondContact NE2-OD1 2.92Å
159	A	95.1	Very high	90.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-42.3	172.4	0	0	0	0	0	110.9	A148 N156 L162 L163 L225 L227	A148-A159 HydrophobicContact CB-CB 3.9Å; N156-A159 PolarHBondContact O-N 3.45Å; N156-A159 VanDerWaalsContact O-N 3.11Å; N156-A159 WeakPolarHBondContact OD1-CB 3.4Å; A159-L162 PolarHBondContact O-N 3.18Å; A159-L163 VanDerWaalsContact O-CB 3.22Å; A159-L163 WeakPolarHBondContact O-CB 3.45Å; A159-L163 PolarHBondContact O-N 2.83Å; A159-L225 HydrophobicContact CB-CB 3.83Å; A159-L225 WeakPolarHBondContact CB-O 3.25Å; A159-L227 HydrophobicContact CB-CB 4.02Å; A159-L227 HydrophobicContact CB-CD1 4.46Å; A159-L227 HydrophobicContact CB-CG 4.1Å
160	V	95.6	Very high	90.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-43.4	174.5	-179.2	0	0	0	0	110.7	F77 L92 A148 N156 N157 L162 L163 L164 V184	F77-V160 HydrophobicContact CD1-CB 4.06Å; F77-V160 HydrophobicContact CD1-CG1 4.13Å; F77-V160 HydrophobicContact CD1-CG2 4.3Å; F77-V160 HydrophobicContact CD2-CG1 4Å; F77-V160 HydrophobicContact CE1-CB 4.11Å; F77-V160 HydrophobicContact CE1-CG1 4.21Å; F77-V160 HydrophobicContact CE1-CG2 3.84Å; F77-V160 HydrophobicContact CE2-CG1 4.06Å; F77-V160 HydrophobicContact CG-CB 4.4Å; F77-V160 HydrophobicContact CG-CG1 4Å; F77-V160 HydrophobicContact CZ-CB 4.47Å; F77-V160 HydrophobicContact CZ-CG1 4.17Å; F77-V160 HydrophobicContact CZ-CG2 4.09Å; L92-V160 HydrophobicContact CD2-CG1 4.04Å; A148-V160 HydrophobicContact CB-CG2 4.11Å; N156-V160 PolarHBondContact O-N 2.95Å; N157-V160 PolarHBondContact O-N 3.41Å; V160-L162 PolarHBondContact O-N 3.25Å; V160-L163 PolarHBondContact O-N 3.35Å; V160-L164 HydrophobicContact CG1-CD1 4.14Å; V160-L164 VanDerWaalsContact O-CG 3.32Å; V160-L164 WeakPolarHBondContact O-CG 3.22Å; V160-L164 PolarHBondContact O-N 2.96Å; V160-V184 HydrophobicContact CG1-CG2 4.22Å; V160-V184 HydrophobicContact CG2-CG1 4.16Å
161	G	95.6	Very high	91	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-45.9	174.5	0	0	0	0	0	113.3	A70 N157 Q158 L164 G165	A70-G161 WeakPolarHBondContact CB-O 3.5Å; A70-G161 CarbonylContact O-C 3.55Å; A70-G161 VanDerWaalsContact O-CA 3.27Å; A70-G161 WeakPolarHBondContact O-CA 3.12Å; N157-G161 PolarHBondContact O-N 2.78Å; Q158-G161 PolarHBondContact O-N 3.37Å; G161-L164 PolarHBondContact O-N 3.44Å; G161-G165 PolarHBondContact O-N 3.43Å
162	L	96.5	Very high	91.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-41.5	176.2	-178.8	55.8	0	0	0	112.6	F64 A70 Q158 A159 V160 L164 G165 L166 L225 L227 I332 V335 L339	F64-L162 HydrophobicContact CE1-CD1 4.07Å; F64-L162 HydrophobicContact CZ-CD1 4.11Å; A70-L162 HydrophobicContact CB-CD1 4.37Å; Q158-L162 WeakPolarHBondContact O-CB 2.8Å; Q158-L162 PolarHBondContact O-N 2.95Å; A159-L162 PolarHBondContact O-N 3.18Å; V160-L162 PolarHBondContact O-N 3.25Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 3.26Å; L162-G165 PolarHBondContact O-N 2.8Å; L162-L166 HydrophobicContact CD1-CD1 4.24Å; L162-L166 HydrophobicContact CD1-CG 4.15Å; L162-L166 HydrophobicContact CG-CD1 4.11Å; L162-L166 HydrophobicContact CG-CG 4.48Å; L162-L166 WeakPolarHBondContact O-CB 3.39Å; L162-L166 WeakPolarHBondContact O-CG 3.48Å; L162-L166 PolarHBondContact O-N 2.82Å; L162-L225 HydrophobicContact CD2-CD1 4.47Å; L162-L227 HydrophobicContact CB-CD1 4.4Å; L162-L227 HydrophobicContact CD2-CD1 3.78Å; L162-I332 HydrophobicContact CD1-CG2 3.85Å; L162-I332 HydrophobicContact CD2-CG2 4.48Å; L162-V335 HydrophobicContact CD2-CB 4.21Å; L162-V335 HydrophobicContact CD2-CG1 3.72Å; L162-L339 HydrophobicContact CD2-CD1 3.77Å; L162-L339 HydrophobicContact CG-CD1 4.34Å
163	L	97.1	Very high	92.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-46.4	175	178.1	159.6	0	0	0	111	L146 A148 A159 V160 L166 A167 F182 V184	L146-L163 HydrophobicContact CD2-CB 4.41Å; L146-L163 HydrophobicContact CD2-CG 4.19Å; L146-L163 HydrophobicContact CG-CD1 4.34Å; L146-L163 HydrophobicContact CG-CG 4.32Å; A148-L163 HydrophobicContact CB-CD1 3.74Å; A159-L163 VanDerWaalsContact O-CB 3.22Å; A159-L163 WeakPolarHBondContact O-CB 3.45Å; A159-L163 PolarHBondContact O-N 2.83Å; V160-L163 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.16Å; L163-A167 WeakPolarHBondContact O-CB 3.02Å; L163-A167 PolarHBondContact O-N 2.92Å; L163-F182 HydrophobicContact CD2-CB 3.83Å; L163-F182 HydrophobicContact CD2-CD1 4.03Å; L163-F182 HydrophobicContact CD2-CG 4.34Å; L163-F182 HydrophobicContact CG-CB 4.44Å; L163-F182 HydrophobicContact CG-CD1 4.03Å; L163-V184 HydrophobicContact CD1-CG2 4.41Å; L163-V184 HydrophobicContact CD2-CG2 4.39Å
164	L	96.9	Very high	93.1	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-37.7	176.6	-67.7	172.6	0	0	0	112.5	T73 W91 L92 T95 M96 V160 G161 L162 A167 H168	T73-L164 HydrophobicContact CG2-CB 4.16Å; T73-L164 HydrophobicContact CG2-CD1 3.63Å; W91-L164 HydrophobicContact CH2-CD1 3.85Å; W91-L164 HydrophobicContact CZ3-CD1 3.9Å; L92-L164 HydrophobicContact CD2-CD1 4.41Å; T95-L164 HydrophobicContact CG2-CD1 4.11Å; T95-L164 HydrophobicContact CG2-CD2 4.45Å; M96-L164 HydrophobicContact CG-CD2 3.52Å; M96-L164 HydrophobicContact SD-CD2 4.48Å; V160-L164 HydrophobicContact CG1-CD1 4.14Å; V160-L164 VanDerWaalsContact O-CG 3.32Å; V160-L164 WeakPolarHBondContact O-CG 3.22Å; V160-L164 PolarHBondContact O-N 2.96Å; G161-L164 PolarHBondContact O-N 3.44Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 3.26Å; L164-A167 PolarHBondContact O-N 2.92Å; L164-H168 PolarHBondContact O-N 2.87Å
165	G	96.1	Very high	93.8	Very high	7 Å²	7	29 Å²	29	7%	0.072	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-43.5	174.2	0	0	0	0	0	112.6	G161 L162 H168 Y169	G161-G165 PolarHBondContact O-N 3.43Å; L162-G165 PolarHBondContact O-N 2.8Å; G165-H168 PolarHBondContact O-N 3.29Å; G165-Y169 PolarHBondContact O-N 2.88Å; G165-Y169 VanDerWaalsContact O-N 3.09Å
166	L	96.8	Very high	94.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-40.1	174.3	-76.2	170.1	0	0	0	111.4	F64 L146 L162 L163 H168 Y169 F170 L339	F64-L166 HydrophobicContact CD2-CD2 3.81Å; F64-L166 HydrophobicContact CE2-CD2 3.93Å; F64-L166 HydrophobicContact CE2-CG 4.33Å; F64-L166 HydrophobicContact CG-CD2 4.26Å; F64-L166 HydrophobicContact CZ-CD2 4.46Å; L146-L166 HydrophobicContact CD2-CB 4.4Å; L146-L166 HydrophobicContact CD2-CD1 3.82Å; L162-L166 HydrophobicContact CD1-CD1 4.24Å; L162-L166 HydrophobicContact CD1-CG 4.15Å; L162-L166 HydrophobicContact CG-CD1 4.11Å; L162-L166 HydrophobicContact CG-CG 4.48Å; L162-L166 WeakPolarHBondContact O-CB 3.39Å; L162-L166 WeakPolarHBondContact O-CG 3.48Å; L162-L166 PolarHBondContact O-N 2.82Å; L163-L166 PolarHBondContact O-N 3.16Å; L166-H168 PolarHBondContact O-N 3.1Å; L166-Y169 PolarHBondContact O-N 3.26Å; L166-F170 HydrophobicContact CD2-CE1 3.81Å; L166-F170 HydrophobicContact CD2-CZ 4.15Å; L166-F170 VanDerWaalsContact O-CB 3.28Å; L166-F170 WeakPolarHBondContact O-CB 3.18Å; L166-F170 WeakPolarHBondContact O-CD1 3.25Å; L166-F170 VanDerWaalsContact O-CG 3.28Å; L166-F170 WeakPolarHBondContact O-CG 3.28Å; L166-F170 PolarHBondContact O-N 2.91Å; L166-L339 HydrophobicContact CD1-CB 3.89Å; L166-L339 HydrophobicContact CD1-CD1 3.68Å; L166-L339 HydrophobicContact CD1-CG 4.47Å
167	A	96.4	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-46.2	175.4	0	0	0	0	0	112.5	L101 L163 L164 Y169 F170 R171 F182	L101-A167 HydrophobicContact CD1-CB 4.03Å; L163-A167 WeakPolarHBondContact O-CB 3.02Å; L163-A167 PolarHBondContact O-N 2.92Å; L164-A167 PolarHBondContact O-N 2.92Å; A167-Y169 PolarHBondContact O-N 3.2Å; A167-F170 PolarHBondContact O-N 3.47Å; A167-R171 WeakPolarHBondContact O-CB 2.93Å; A167-R171 PolarHBondContact O-N 3.31Å; A167-F182 VanDerWaalsContact CA-CZ 3.43Å; A167-F182 HydrophobicContact CB-CD1 3.98Å; A167-F182 HydrophobicContact CB-CD2 3.94Å; A167-F182 HydrophobicContact CB-CE1 3.84Å; A167-F182 HydrophobicContact CB-CE2 3.8Å; A167-F182 HydrophobicContact CB-CG 4.02Å; A167-F182 HydrophobicContact CB-CZ 3.74Å
168	H	95.2	Very high	94.5	Very high	70 Å²	70	26.4 Å²	26.4	32%	0.324	14%	0.139	S	C	.	.	H	α-helix	trans	-57.6	-48.5	174.2	-179.1	61.5	0	0	0	111.7	Q99 L164 G165 L166	Q99-H168 HydrophobicContact CG-CB 4.43Å; Q99-H168 VanDerWaalsContact OE1-CB 3.23Å; Q99-H168 PolarHBondContact OE1-ND1 3.48Å; L164-H168 PolarHBondContact O-N 2.87Å; G165-H168 PolarHBondContact O-N 3.29Å; L166-H168 PolarHBondContact O-N 3.1Å
169	Y	95.2	Very high	94.6	Very high	20 Å²	20	25.8 Å²	25.8	8%	0.078	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-47.8	-179.4	173.9	-108.9	0	0	0	111.6	F64 G165 L166 A167 R171 S172 Q173 E340	F64-Y169 HydrophobicContact CB-CD1 4.43Å; F64-Y169 HydrophobicContact CB-CE1 4.4Å; F64-Y169 AromaticContact CD2-CD1 3.8Å; F64-Y169 HydrophobicContact CD2-CD1 3.8Å; F64-Y169 HydrophobicContact CD2-CD2 4.47Å; F64-Y169 AromaticContact CD2-CG 3.77Å; F64-Y169 HydrophobicContact CD2-CG 3.77Å; F64-Y169 HydrophobicContact CE2-CG 4.43Å; G165-Y169 PolarHBondContact O-N 2.88Å; G165-Y169 VanDerWaalsContact O-N 3.09Å; L166-Y169 PolarHBondContact O-N 3.26Å; A167-Y169 PolarHBondContact O-N 3.2Å; Y169-R171 VanDerWaalsContact C-N 3.25Å; Y169-R171 PolarHBondContact O-N 2.78Å; Y169-S172 PolarHBondContact O-N 2.96Å; Y169-S172 PolarHBondContact O-OG 3.42Å; Y169-Q173 HydrophobicContact CE1-CG 4.1Å; Y169-Q173 HydrophobicContact CE2-CG 4.48Å; Y169-Q173 WeakPolarHBondContact O-CG 3.39Å; Y169-E340 HydrophobicContact CE1-CG 3.97Å; Y169-E340 WeakPolarHBondContact CE1-OE1 3.32Å; Y169-E340 PolarHBondContact OH-OE1 3.25Å
170	F	95.4	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-34.1	-178.4	-75.8	12.2	0	0	0	111.8	L133 L166 A167 S172 Q173 W176 I180 F182 E340 F343	L133-F170 HydrophobicContact CD2-CB 3.73Å; L166-F170 HydrophobicContact CD2-CE1 3.81Å; L166-F170 HydrophobicContact CD2-CZ 4.15Å; L166-F170 VanDerWaalsContact O-CB 3.28Å; L166-F170 WeakPolarHBondContact O-CB 3.18Å; L166-F170 WeakPolarHBondContact O-CD1 3.25Å; L166-F170 VanDerWaalsContact O-CG 3.28Å; L166-F170 WeakPolarHBondContact O-CG 3.28Å; L166-F170 PolarHBondContact O-N 2.91Å; A167-F170 PolarHBondContact O-N 3.47Å; F170-S172 PolarHBondContact O-N 2.72Å; F170-Q173 PolarHBondContact O-N 3.4Å; F170-W176 HydrophobicContact CB-CZ2 3.94Å; F170-W176 HydrophobicContact CD1-CH2 4.09Å; F170-W176 AromaticContact CD1-CZ2 3.4Å; F170-W176 HydrophobicContact CD1-CZ2 3.4Å; F170-W176 VanDerWaalsContact CD1-CZ2 3.4Å; F170-W176 AromaticContact CD2-CH2 3.93Å; F170-W176 HydrophobicContact CD2-CH2 3.93Å; F170-W176 AromaticContact CD2-CZ2 3.54Å; F170-W176 HydrophobicContact CD2-CZ2 3.54Å; F170-W176 AromaticContact CE1-CH2 3.88Å; F170-W176 HydrophobicContact CE1-CH2 3.88Å; F170-W176 AromaticContact CE1-CZ2 3.67Å; F170-W176 HydrophobicContact CE1-CZ2 3.67Å; F170-W176 AromaticContact CE2-CH2 3.72Å; F170-W176 HydrophobicContact CE2-CH2 3.72Å; F170-W176 AromaticContact CE2-CZ2 3.81Å; F170-W176 HydrophobicContact CE2-CZ2 3.81Å; F170-W176 AromaticContact CG-CE2 3.89Å; F170-W176 HydrophobicContact CG-CH2 4.13Å; F170-W176 AromaticContact CG-CZ2 3.34Å; F170-W176 HydrophobicContact CG-CZ2 3.34Å; F170-W176 AromaticContact CZ-CH2 3.69Å; F170-W176 HydrophobicContact CZ-CH2 3.69Å; F170-W176 AromaticContact CZ-CZ2 3.87Å; F170-W176 HydrophobicContact CZ-CZ2 3.87Å; F170-W176 PolarHBondContact O-NE1 2.84Å; F170-I180 HydrophobicContact CD2-CD1 3.57Å; F170-I180 HydrophobicContact CD2-CG2 4.36Å; F170-I180 HydrophobicContact CE2-CD1 4.01Å; F170-F182 HydrophobicContact CB-CZ 4.28Å; F170-F182 HydrophobicContact CD2-CE1 4.31Å; F170-F182 AromaticContact CD2-CZ 3.7Å; F170-F182 HydrophobicContact CD2-CZ 3.7Å; F170-F182 HydrophobicContact CE2-CZ 4.45Å; F170-F182 HydrophobicContact CG-CZ 4.29Å; F170-E340 HydrophobicContact CE1-CB 4.22Å; F170-E340 HydrophobicContact CE1-CG 4.29Å; F170-F343 HydrophobicContact CE2-CB 4.03Å; F170-F343 HydrophobicContact CE2-CD1 4.01Å; F170-F343 HydrophobicContact CE2-CD2 4.44Å; F170-F343 AromaticContact CE2-CG 3.89Å; F170-F343 HydrophobicContact CE2-CG 3.89Å; F170-F343 HydrophobicContact CZ-CB 3.97Å; F170-F343 HydrophobicContact CZ-CG 4.16Å
171	R	93.9	Very high	94.8	Very high	133 Å²	133	25.8 Å²	25.8	50%	0.502	14%	0.136	S	C	.	.	H	α-helix	trans	-58.8	-32	175.6	178.4	61.4	-175.3	90.6	-3.6	113.5	L133 A167 Y169 Q173	L133-R171 HydrophobicContact CD1-CB 4.29Å; L133-R171 VanDerWaalsContact CD1-CD 3.49Å; A167-R171 WeakPolarHBondContact O-CB 2.93Å; A167-R171 PolarHBondContact O-N 3.31Å; Y169-R171 VanDerWaalsContact C-N 3.25Å; Y169-R171 PolarHBondContact O-N 2.78Å; R171-Q173 VanDerWaalsContact C-N 3.31Å
172	S	91.9	Very high	94.9	Very high	80 Å²	80	25.8 Å²	25.8	56%	0.559	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.2	178.5	71	0	0	0	0	113.6	Y169 F170	Y169-S172 PolarHBondContact O-N 2.96Å; Y169-S172 PolarHBondContact O-OG 3.42Å; F170-S172 PolarHBondContact O-N 2.72Å
173	Q	92.8	Very high	95	Very high	46 Å²	46	25.8 Å²	25.8	22%	0.215	14%	0.136	C	C	.	.			trans	-94.2	137.4	-176.1	-55.8	-52	-44.7	0	0	111.6	Y169 F170 R171 F175	Y169-Q173 HydrophobicContact CE1-CG 4.1Å; Y169-Q173 HydrophobicContact CE2-CG 4.48Å; Y169-Q173 WeakPolarHBondContact O-CG 3.39Å; F170-Q173 PolarHBondContact O-N 3.4Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; Q173-F175 HydrophobicContact CB-CD1 4.06Å; Q173-F175 HydrophobicContact CB-CE1 3.58Å; Q173-F175 HydrophobicContact CB-CE2 4.19Å; Q173-F175 HydrophobicContact CB-CZ 3.64Å; Q173-F175 HydrophobicContact CG-CE1 3.75Å; Q173-F175 HydrophobicContact CG-CZ 3.71Å; Q173-F175 VanDerWaalsContact OE1-CE1 3.26Å
174	V	90.2	Very high	95	Very high	109 Å²	109	25.8 Å²	25.8	66%	0.661	14%	0.136	S	C	*	.	S	Bend	trans	-97.5	-4.5	-176.6	-64	0	0	0	0	113.9	P136 R137 W176	P136-V174 WeakPolarHBondContact CG-O 3.38Å; R137-V174 VanDerWaalsContact CD-O 3.24Å; R137-V174 WeakPolarHBondContact CD-O 3.35Å; R137-V174 WeakPolarHBondContact CG-O 3.44Å; V174-W176 PolarHBondContact O-N 3.03Å
175	F	89.6	Confident	94.9	Very high	35 Å²	35	25.6 Å²	25.6	15%	0.154	14%	0.135	C	C	.	.			trans	-85.6	-3.9	-170.9	51.8	-109.8	0	0	0	114.7	Q173 R344 N347	Q173-F175 HydrophobicContact CB-CD1 4.06Å; Q173-F175 HydrophobicContact CB-CE1 3.58Å; Q173-F175 HydrophobicContact CB-CE2 4.19Å; Q173-F175 HydrophobicContact CB-CZ 3.64Å; Q173-F175 HydrophobicContact CG-CE1 3.75Å; Q173-F175 HydrophobicContact CG-CZ 3.71Å; Q173-F175 VanDerWaalsContact OE1-CE1 3.26Å; F175-R344 HydrophobicContact CD2-CG 4.2Å; F175-R344 HydrophobicContact CE2-CG 3.51Å; F175-R344 HydrophobicContact CZ-CG 4.02Å; F175-N347 PolarHBondContact O-ND2 3.11Å
176	W	93.4	Very high	94.7	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.011	14%	0.137	C	C	.	.			trans	-70	132.5	-179	-50.8	117.6	0	0	0	112.1	P136 R137 F170 V174 I180 F343 R344 N347	P136-W176 VanDerWaalsContact CD-O 3.23Å; P136-W176 WeakPolarHBondContact CD-O 3.45Å; R137-W176 PolarHBondContact N-O 3.03Å; F170-W176 HydrophobicContact CB-CZ2 3.94Å; F170-W176 HydrophobicContact CD1-CH2 4.09Å; F170-W176 AromaticContact CD1-CZ2 3.4Å; F170-W176 HydrophobicContact CD1-CZ2 3.4Å; F170-W176 VanDerWaalsContact CD1-CZ2 3.4Å; F170-W176 AromaticContact CD2-CH2 3.93Å; F170-W176 HydrophobicContact CD2-CH2 3.93Å; F170-W176 AromaticContact CD2-CZ2 3.54Å; F170-W176 HydrophobicContact CD2-CZ2 3.54Å; F170-W176 AromaticContact CE1-CH2 3.88Å; F170-W176 HydrophobicContact CE1-CH2 3.88Å; F170-W176 AromaticContact CE1-CZ2 3.67Å; F170-W176 HydrophobicContact CE1-CZ2 3.67Å; F170-W176 AromaticContact CE2-CH2 3.72Å; F170-W176 HydrophobicContact CE2-CH2 3.72Å; F170-W176 AromaticContact CE2-CZ2 3.81Å; F170-W176 HydrophobicContact CE2-CZ2 3.81Å; F170-W176 AromaticContact CG-CE2 3.89Å; F170-W176 HydrophobicContact CG-CH2 4.13Å; F170-W176 AromaticContact CG-CZ2 3.34Å; F170-W176 HydrophobicContact CG-CZ2 3.34Å; F170-W176 AromaticContact CZ-CH2 3.69Å; F170-W176 HydrophobicContact CZ-CH2 3.69Å; F170-W176 AromaticContact CZ-CZ2 3.87Å; F170-W176 HydrophobicContact CZ-CZ2 3.87Å; F170-W176 PolarHBondContact O-NE1 2.84Å; V174-W176 PolarHBondContact O-N 3.03Å; W176-I180 HydrophobicContact CD2-CD1 3.54Å; W176-I180 HydrophobicContact CE3-CD1 3.62Å; W176-I180 HydrophobicContact CG-CD1 4.01Å; W176-I180 HydrophobicContact CH2-CD1 4.19Å; W176-I180 HydrophobicContact CZ2-CD1 4.18Å; W176-I180 HydrophobicContact CZ3-CD1 3.94Å; W176-F343 HydrophobicContact CH2-CB 4.02Å; W176-F343 HydrophobicContact CZ3-CB 4.04Å; W176-R344 HydrophobicContact CH2-CG 4.07Å; W176-R344 HydrophobicContact CZ3-CG 4.13Å; W176-N347 HydrophobicContact CE3-CB 4.06Å; W176-N347 HydrophobicContact CZ3-CB 4.24Å
177	A	92.8	Very high	94.2	Very high	27 Å²	27	27.7 Å²	27.7	22%	0.223	14%	0.143	C	C	.	.			trans	-111.6	-18.5	176.9	0	0	0	0	0	111.9	A135 A138 N347	A135-A177 WeakPolarHBondContact CB-O 3.31Å; A138-A177 HydrophobicContact CB-CB 4Å; A138-A177 WeakPolarHBondContact CB-O 3.22Å; A177-N347 PolarHBondContact N-ND2 2.9Å; A177-N347 PolarHBondContact N-OD1 3.23Å
178	K	94.8	Very high	93.8	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.035	15%	0.153	C	C	.	.	S	Bend	trans	-112.4	149.4	175.5	-59.2	179.8	174.3	28.7	0	110	E142 L144 Q220 N347 L349	E142-K178 HydrophobicContact CB-CB 4.37Å; E142-K178 HydrophobicContact CB-CD 4.15Å; E142-K178 HydrophobicContact CB-CG 3.86Å; E142-K178 WeakPolarHBondContact OE2-CE 3.42Å; E142-K178 IonicContact OE2-NZ 3.91Å; E142-K178 PolarHBondContact OE2-NZ 3.43Å; L144-K178 HydrophobicContact CD1-CD 4.36Å; L144-K178 HydrophobicContact CD2-CD 3.91Å; L144-K178 HydrophobicContact CG-CB 4.17Å; L144-K178 HydrophobicContact CG-CD 3.92Å; K178-Q220 HydrophobicContact CD-CB 4.49Å; K178-Q220 HydrophobicContact CD-CG 4.32Å; K178-N347 PolarHBondContact N-OD1 3.43Å; K178-N347 VanDerWaalsContact N-OD1 3.09Å; K178-N347 PolarHBondContact NZ-O 3.22Å; K178-L349 WeakPolarHBondContact CE-O 3.41Å; K178-L349 PolarHBondContact NZ-O 3.5Å
179	D	95.9	Very high	93.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	141.9	169.7	-77.7	-0.2	0	0	0	108.5	I132 L133 R134 A135 E142 A143 L144	I132-D179 HydrophobicContact CG2-CB 4.23Å; L133-D179 CarbonylContact O-C 3.43Å; L133-D179 WeakPolarHBondContact O-CA 3.28Å; R134-D179 VanDerWaalsContact CA-OD1 3.31Å; R134-D179 WeakPolarHBondContact CA-OD1 3.35Å; R134-D179 VanDerWaalsContact CD-OD2 3.28Å; R134-D179 WeakPolarHBondContact CD-OD2 3.47Å; R134-D179 IonicContact CZ-OD2 3.61Å; R134-D179 IonicContact NE-OD2 3.07Å; R134-D179 IonicContact NH1-OD2 3.57Å; R134-D179 PolarHBondContact NH1-OD2 3.4Å; A135-D179 PolarHBondContact N-OD1 2.71Å; E142-D179 PolarHBondContact O-N 3.45Å; A143-D179 CarbonylContact C-O 3.51Å; A143-D179 WeakPolarHBondContact CA-O 3.24Å; A143-D179 HydrophobicContact CB-CB 4.2Å; L144-D179 PolarHBondContact N-O 2.8Å
180	I	97	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.4	176.4	-56.4	178.2	0	0	0	108.1	L133 L144 F170 W176 F182 F343	L133-I180 HydrophobicContact CB-CB 4.29Å; L133-I180 PolarHBondContact N-O 3.26Å; L133-I180 PolarHBondContact O-N 2.88Å; L144-I180 WeakPolarHBondContact O-CA 3.43Å; F170-I180 HydrophobicContact CD2-CD1 3.57Å; F170-I180 HydrophobicContact CD2-CG2 4.36Å; F170-I180 HydrophobicContact CE2-CD1 4.01Å; W176-I180 HydrophobicContact CD2-CD1 3.54Å; W176-I180 HydrophobicContact CE3-CD1 3.62Å; W176-I180 HydrophobicContact CG-CD1 4.01Å; W176-I180 HydrophobicContact CH2-CD1 4.19Å; W176-I180 HydrophobicContact CZ2-CD1 4.18Å; W176-I180 HydrophobicContact CZ3-CD1 3.94Å; I180-F182 HydrophobicContact CB-CE2 4.2Å; I180-F182 HydrophobicContact CB-CZ 4.45Å; I180-F182 HydrophobicContact CG2-CD2 4.28Å; I180-F182 HydrophobicContact CG2-CE1 4.12Å; I180-F182 HydrophobicContact CG2-CE2 3.71Å; I180-F182 HydrophobicContact CG2-CZ 3.62Å; I180-F343 HydrophobicContact CD1-CD1 4.36Å; I180-F343 HydrophobicContact CG2-CD1 4.44Å; I180-F343 HydrophobicContact CG2-CE1 4.03Å
181	I	97.9	Very high	93.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.2	178.4	-55.7	175	0	0	0	107.6	Y130 I132 A143 L144 V145 L146 W195 Y199	Y130-I181 HydrophobicContact CD2-CG2 4.35Å; I132-I181 HydrophobicContact CG1-CG1 4.4Å; A143-I181 HydrophobicContact CB-CD1 3.98Å; A143-I181 HydrophobicContact CB-CG1 4.33Å; L144-I181 PolarHBondContact O-N 2.85Å; V145-I181 CarbonylContact C-O 3.58Å; V145-I181 WeakPolarHBondContact CA-O 3.37Å; V145-I181 HydrophobicContact CG2-CB 4.13Å; V145-I181 HydrophobicContact CG2-CD1 4.25Å; L146-I181 PolarHBondContact N-O 3.41Å; I181-W195 HydrophobicContact CD1-CH2 4.19Å; I181-W195 HydrophobicContact CD1-CZ2 4.26Å; I181-W195 HydrophobicContact CG2-CH2 4.21Å; I181-W195 HydrophobicContact CG2-CZ2 3.84Å; I181-Y199 HydrophobicContact CD1-CE2 3.91Å
182	F	98.1	Very high	93.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.1	171.6	-64.5	-80.5	0	0	0	108	M96 L101 Y130 G131 L133 L146 L163 A167 F170 I180	M96-F182 HydrophobicContact CE-CB 3.59Å; M96-F182 WeakPolarHBondContact CE-O 3.44Å; L101-F182 HydrophobicContact CD1-CD2 3.94Å; L101-F182 HydrophobicContact CD1-CG 4.49Å; L101-F182 HydrophobicContact CD2-CD2 4.12Å; L101-F182 HydrophobicContact CD2-CE2 4.19Å; Y130-F182 CarbonylContact C-O 3.47Å; Y130-F182 WeakPolarHBondContact CA-O 3.47Å; Y130-F182 WeakPolarHBondContact CB-O 3.17Å; G131-F182 PolarHBondContact N-O 2.67Å; G131-F182 PolarHBondContact O-N 2.89Å; L133-F182 HydrophobicContact CB-CE2 4.02Å; L133-F182 HydrophobicContact CD2-CE2 4.42Å; L146-F182 HydrophobicContact CB-CD1 4.04Å; L146-F182 HydrophobicContact CB-CE1 4.32Å; L146-F182 HydrophobicContact CD2-CD1 3.99Å; L146-F182 HydrophobicContact CD2-CE1 3.86Å; L146-F182 HydrophobicContact CG-CD1 4.5Å; L146-F182 CarbonylContact O-C 3.57Å; L146-F182 WeakPolarHBondContact O-CA 3.27Å; L163-F182 HydrophobicContact CD2-CB 3.83Å; L163-F182 HydrophobicContact CD2-CD1 4.03Å; L163-F182 HydrophobicContact CD2-CG 4.34Å; L163-F182 HydrophobicContact CG-CB 4.44Å; L163-F182 HydrophobicContact CG-CD1 4.03Å; A167-F182 VanDerWaalsContact CA-CZ 3.43Å; A167-F182 HydrophobicContact CB-CD1 3.98Å; A167-F182 HydrophobicContact CB-CD2 3.94Å; A167-F182 HydrophobicContact CB-CE1 3.84Å; A167-F182 HydrophobicContact CB-CE2 3.8Å; A167-F182 HydrophobicContact CB-CG 4.02Å; A167-F182 HydrophobicContact CB-CZ 3.74Å; F170-F182 HydrophobicContact CB-CZ 4.28Å; F170-F182 HydrophobicContact CD2-CE1 4.31Å; F170-F182 AromaticContact CD2-CZ 3.7Å; F170-F182 HydrophobicContact CD2-CZ 3.7Å; F170-F182 HydrophobicContact CE2-CZ 4.45Å; F170-F182 HydrophobicContact CG-CZ 4.29Å; I180-F182 HydrophobicContact CB-CE2 4.2Å; I180-F182 HydrophobicContact CB-CZ 4.45Å; I180-F182 HydrophobicContact CG2-CD2 4.28Å; I180-F182 HydrophobicContact CG2-CE1 4.12Å; I180-F182 HydrophobicContact CG2-CE2 3.71Å; I180-F182 HydrophobicContact CG2-CZ 3.62Å
183	L	97.7	Very high	93.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.2	-173	172.6	61.8	0	0	0	111	N128 V145 L146 S147 A148 M192 W195	N128-L183 HydrophobicContact CB-CD1 4.31Å; V145-L183 HydrophobicContact CG1-CB 4.43Å; L146-L183 PolarHBondContact O-N 3.17Å; S147-L183 CarbonylContact C-O 3.53Å; S147-L183 VanDerWaalsContact CA-O 3.24Å; S147-L183 WeakPolarHBondContact CA-O 3.45Å; A148-L183 PolarHBondContact N-O 2.78Å; L183-M192 HydrophobicContact CD2-CE 3.54Å; L183-M192 HydrophobicContact CD2-SD 3.7Å; L183-M192 HydrophobicContact CG-CE 4.3Å; L183-W195 HydrophobicContact CD1-CD2 4.23Å; L183-W195 HydrophobicContact CD1-CG 4.03Å; L183-W195 HydrophobicContact CD2-CB 4.47Å; L183-W195 HydrophobicContact CD2-CD2 3.5Å; L183-W195 VanDerWaalsContact CD2-CD2 3.5Å; L183-W195 HydrophobicContact CD2-CE3 3.48Å; L183-W195 VanDerWaalsContact CD2-CE3 3.48Å; L183-W195 HydrophobicContact CD2-CG 3.93Å; L183-W195 HydrophobicContact CD2-CH2 4.36Å; L183-W195 HydrophobicContact CD2-CZ2 4.39Å; L183-W195 HydrophobicContact CD2-CZ3 3.93Å
184	V	97.2	Very high	93.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.7	167.8	-173.9	0	0	0	0	107.6	M87 L92 V129 A148 C150 V160 L163	M87-V184 HydrophobicContact SD-CG1 4Å; L92-V184 HydrophobicContact CD1-CB 4.28Å; L92-V184 HydrophobicContact CD1-CG1 4.05Å; L92-V184 HydrophobicContact CD2-CG2 4.36Å; V129-V184 PolarHBondContact N-O 3.18Å; V129-V184 PolarHBondContact O-N 3.42Å; A148-V184 WeakPolarHBondContact O-CA 3.28Å; C150-V184 HydrophobicContact CB-CG1 4.05Å; V160-V184 HydrophobicContact CG1-CG2 4.22Å; V160-V184 HydrophobicContact CG2-CG1 4.16Å; L163-V184 HydrophobicContact CD1-CG2 4.41Å; L163-V184 HydrophobicContact CD2-CG2 4.39Å
185	N	94.8	Very high	93.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.5	-178.5	49.1	-58.3	0	0	0	111.3	N128 A148 P149 C150 D188 M192 D305	N128-N185 VanDerWaalsContact OD1-CA 3.23Å; N128-N185 WeakPolarHBondContact OD1-CA 3.14Å; N128-N185 WeakPolarHBondContact OD1-CB 3.33Å; A148-N185 PolarHBondContact O-OD1 3.34Å; P149-N185 WeakPolarHBondContact CA-OD1 3.22Å; C150-N185 PolarHBondContact N-O 3.49Å; N185-D188 PolarHBondContact ND2-O 3.05Å; N185-M192 HydrophobicContact CB-CE 4.35Å; N185-D305 PolarHBondContact ND2-OD2 3.47Å; N185-D305 PolarHBondContact OD1-OD2 3.2Å
186	E	91.4	Very high	94.2	Very high	25 Å²	25	8.1 Å²	8.1	12%	0.117	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147.5	174.2	-170.7	166.3	-145.2	0	0	110.5	M87 G126 T127 N128 D188 G191	M87-E186 HydrophobicContact CB-CB 4.25Å; M87-E186 HydrophobicContact CB-CG 4.04Å; M87-E186 WeakPolarHBondContact CB-OE1 3.27Å; M87-E186 PolarHBondContact N-OE1 3.37Å; M87-E186 HydrophobicContact SD-CB 4.04Å; G126-E186 VanDerWaalsContact CA-OE2 3.24Å; G126-E186 WeakPolarHBondContact CA-OE2 3.26Å; T127-E186 PolarHBondContact N-OE2 3.3Å; T127-E186 VanDerWaalsContact O-CB 3.24Å; T127-E186 WeakPolarHBondContact O-CB 3.28Å; N128-E186 PolarHBondContact OD1-N 3.43Å; N128-E186 VanDerWaalsContact OD1-N 3.14Å; E186-D188 VanDerWaalsContact C-N 3.34Å; E186-D188 PolarHBondContact O-N 3.34Å; E186-G191 WeakPolarHBondContact O-CA 3.47Å; E186-G191 PolarHBondContact O-N 3.43Å
187	H	87.4	Confident	94.2	Very high	26 Å²	26	8 Å²	8	12%	0.12	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	37.2	-178.9	-57.5	-51	0	0	0	114.9	V124 K125 L189 I190	V124-H187 HydrophobicContact CG1-CB 4.16Å; V124-H187 WeakPolarHBondContact CG1-CD2 3.36Å; K125-H187 PolarHBondContact O-NE2 3Å; H187-L189 PolarHBondContact O-N 3.23Å; H187-I190 HydrophobicContact CB-CB 4.32Å; H187-I190 PolarHBondContact O-N 3.19Å; H187-I190 VanDerWaalsContact O-N 3.16Å
188	D	86.6	Confident	94.3	Very high	41 Å²	41	6.7 Å²	6.7	22%	0.219	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-121.9	171.7	-47.8	-55.2	0	0	0	111.5	P149 S151 N185 E186 I190 G191 M192	P149-D188 HydrophobicContact CB-CB 4.41Å; S151-D188 VanDerWaalsContact CA-OD1 3.27Å; S151-D188 WeakPolarHBondContact CA-OD1 3.24Å; S151-D188 VanDerWaalsContact CB-OD1 3.24Å; S151-D188 WeakPolarHBondContact CB-OD1 3.49Å; S151-D188 PolarHBondContact OG-OD1 3.45Å; N185-D188 PolarHBondContact ND2-O 3.05Å; E186-D188 VanDerWaalsContact C-N 3.34Å; E186-D188 PolarHBondContact O-N 3.34Å; D188-I190 VanDerWaalsContact C-N 3.28Å; D188-I190 PolarHBondContact O-N 3.43Å; D188-G191 PolarHBondContact O-N 3.47Å; D188-M192 PolarHBondContact O-N 3Å
189	L	91	Very high	94.3	Very high	30 Å²	30	6.4 Å²	6.4	16%	0.157	3%	0.032	C	C	.	.	H	α-helix	trans	-57.7	-32.8	-178.2	-64.6	173.3	0	0	0	114	H187 M192 Q193 P302 D305 L308 Y589	H187-L189 PolarHBondContact O-N 3.23Å; L189-M192 PolarHBondContact O-N 3.38Å; L189-Q193 WeakPolarHBondContact O-CB 3.3Å; L189-Q193 PolarHBondContact O-N 2.71Å; L189-P302 HydrophobicContact CD1-CG 3.81Å; L189-P302 HydrophobicContact CD2-CB 4.32Å; L189-P302 HydrophobicContact CD2-CG 4.12Å; L189-D305 PolarHBondContact N-OD1 3.41Å; L189-L308 HydrophobicContact CB-CD1 4.21Å; L189-L308 HydrophobicContact CD2-CD1 4.09Å; L189-L308 HydrophobicContact CD2-CG 4.3Å; L189-L308 VanDerWaalsContact O-CD1 3.26Å; L189-L308 WeakPolarHBondContact O-CD1 3.48Å; L189-Y589 HydrophobicContact CB-CE1 3.69Å; L189-Y589 HydrophobicContact CB-CE2 4.42Å; L189-Y589 VanDerWaalsContact CB-OH 3.29Å; L189-Y589 WeakPolarHBondContact CB-OH 3.4Å; L189-Y589 HydrophobicContact CD1-CE2 4.16Å
190	I	91.7	Very high	94.3	Very high	11 Å²	11	9.1 Å²	9.1	6%	0.056	5%	0.045	C	C	.	.	H	α-helix	trans	-67.5	-47.4	-177.5	-59.1	178	0	0	0	110	F108 R110 V124 H187 D188 M192 Q193 A194 M207 L588 Y589	F108-I190 HydrophobicContact CD2-CG2 4.34Å; F108-I190 HydrophobicContact CE2-CG2 3.81Å; R110-I190 HydrophobicContact CB-CG2 4.43Å; V124-I190 HydrophobicContact CB-CD1 4.44Å; V124-I190 HydrophobicContact CG1-CD1 4.14Å; V124-I190 HydrophobicContact CG1-CG2 4.4Å; V124-I190 HydrophobicContact CG2-CD1 4.24Å; H187-I190 HydrophobicContact CB-CB 4.32Å; H187-I190 PolarHBondContact O-N 3.19Å; H187-I190 VanDerWaalsContact O-N 3.16Å; D188-I190 VanDerWaalsContact C-N 3.28Å; D188-I190 PolarHBondContact O-N 3.43Å; I190-M192 VanDerWaalsContact C-N 3.31Å; I190-M192 PolarHBondContact O-N 3.31Å; I190-Q193 PolarHBondContact O-N 3.41Å; I190-A194 PolarHBondContact O-N 2.99Å; I190-M207 HydrophobicContact CG2-CE 3.75Å; I190-L588 HydrophobicContact CD1-CD1 4.44Å; I190-Y589 HydrophobicContact CG1-CE1 4.43Å; I190-Y589 WeakPolarHBondContact CG1-OH 3.4Å
191	G	92.9	Very high	94	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-39.7	176.2	0	0	0	0	0	111.6	F108 N128 E186 D188 A194 W195	F108-G191 VanDerWaalsContact CZ-CA 3.46Å; N128-G191 PolarHBondContact ND2-O 2.82Å; N128-G191 WeakPolarHBondContact OD1-CA 3.45Å; E186-G191 WeakPolarHBondContact O-CA 3.47Å; E186-G191 PolarHBondContact O-N 3.43Å; D188-G191 PolarHBondContact O-N 3.47Å; G191-A194 WeakPolarHBondContact O-CB 3.47Å; G191-A194 PolarHBondContact O-N 3.24Å; G191-W195 PolarHBondContact O-N 3.27Å
192	M	95.1	Very high	93.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-44.3	176	-173.1	57.3	64.7	0	0	112	L183 N185 D188 L189 I190 A194 W195 L196 D305 L308 F309	L183-M192 HydrophobicContact CD2-CE 3.54Å; L183-M192 HydrophobicContact CD2-SD 3.7Å; L183-M192 HydrophobicContact CG-CE 4.3Å; N185-M192 HydrophobicContact CB-CE 4.35Å; D188-M192 PolarHBondContact O-N 3Å; L189-M192 PolarHBondContact O-N 3.38Å; I190-M192 VanDerWaalsContact C-N 3.31Å; I190-M192 PolarHBondContact O-N 3.31Å; M192-A194 PolarHBondContact O-N 3.01Å; M192-W195 PolarHBondContact O-N 3.18Å; M192-W195 HydrophobicContact SD-CE3 4.3Å; M192-L196 HydrophobicContact CG-CD1 4.04Å; M192-L196 WeakPolarHBondContact O-CG 3.3Å; M192-L196 PolarHBondContact O-N 3.5Å; M192-L196 HydrophobicContact SD-CD1 4.32Å; M192-L196 HydrophobicContact SD-CG 4.31Å; M192-D305 HydrophobicContact CB-CB 4.48Å; M192-D305 HydrophobicContact CE-CB 3.93Å; M192-D305 HydrophobicContact CG-CB 4.13Å; M192-L308 HydrophobicContact CB-CD1 4.07Å; M192-L308 HydrophobicContact CG-CD1 4.16Å; M192-F309 HydrophobicContact CE-CE2 4.05Å; M192-F309 HydrophobicContact CE-CZ 4.31Å; M192-F309 HydrophobicContact CG-CE2 4.05Å; M192-F309 HydrophobicContact SD-CD2 4.46Å; M192-F309 HydrophobicContact SD-CE2 3.41Å; M192-F309 WeakPolarHBondContact SD-CE2 3.42Å; M192-F309 HydrophobicContact SD-CZ 3.57Å; M192-F309 VanDerWaalsContact SD-CZ 3.57Å
193	Q	94.8	Very high	93.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-46.8	175.6	-178.1	63.3	23.1	0	0	111.3	L189 I190 W195 L196 E197 T205 M207 L308 R311 Y589	L189-Q193 WeakPolarHBondContact O-CB 3.3Å; L189-Q193 PolarHBondContact O-N 2.71Å; I190-Q193 PolarHBondContact O-N 3.41Å; Q193-W195 VanDerWaalsContact C-N 3.29Å; Q193-W195 PolarHBondContact O-N 2.59Å; Q193-L196 PolarHBondContact O-N 2.68Å; Q193-E197 PolarHBondContact NE2-OE1 3.13Å; Q193-E197 WeakPolarHBondContact O-CB 3.38Å; Q193-E197 PolarHBondContact O-N 2.7Å; Q193-T205 HydrophobicContact CG-CG2 4.15Å; Q193-M207 HydrophobicContact CB-CE 4.16Å; Q193-M207 HydrophobicContact CG-CE 4.05Å; Q193-L308 HydrophobicContact CB-CD1 3.99Å; Q193-R311 VanDerWaalsContact CD-NH2 3.27Å; Q193-Y589 HydrophobicContact CB-CD1 4.4Å; Q193-Y589 HydrophobicContact CB-CE1 4.48Å
194	A	95	Very high	92.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-44.2	177.8	0	0	0	0	0	112	Q106 F108 I190 G191 M192 S198 M207	Q106-A194 PolarHBondContact NE2-O 3.5Å; F108-A194 HydrophobicContact CB-CB 3.58Å; F108-A194 HydrophobicContact CD1-CB 3.92Å; F108-A194 HydrophobicContact CD2-CB 4.08Å; F108-A194 HydrophobicContact CG-CB 3.59Å; I190-A194 PolarHBondContact O-N 2.99Å; G191-A194 WeakPolarHBondContact O-CB 3.47Å; G191-A194 PolarHBondContact O-N 3.24Å; M192-A194 PolarHBondContact O-N 3.01Å; A194-S198 WeakPolarHBondContact O-CB 3.15Å; A194-S198 PolarHBondContact O-N 3Å; A194-S198 VanDerWaalsContact O-N 3.14Å; A194-M207 WeakPolarHBondContact CA-SD 3.26Å; A194-M207 HydrophobicContact CB-SD 3.24Å; A194-M207 WeakPolarHBondContact CB-SD 3.42Å
195	W	96	Very high	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-46.7	-178.1	-174.1	80.9	0	0	0	111.6	Y130 V145 I181 L183 G191 M192 Q193 S198 Y199 I219 F309	Y130-W195 AromaticContact CD1-CD1 3.95Å; Y130-W195 AromaticContact CD1-NE1 3.49Å; Y130-W195 AromaticContact CE1-NE1 3.84Å; Y130-W195 AromaticContact CG-NE1 3.66Å; V145-W195 HydrophobicContact CG2-CH2 3.99Å; V145-W195 HydrophobicContact CG2-CZ3 4.4Å; I181-W195 HydrophobicContact CD1-CH2 4.19Å; I181-W195 HydrophobicContact CD1-CZ2 4.26Å; I181-W195 HydrophobicContact CG2-CH2 4.21Å; I181-W195 HydrophobicContact CG2-CZ2 3.84Å; L183-W195 HydrophobicContact CD1-CD2 4.23Å; L183-W195 HydrophobicContact CD1-CG 4.03Å; L183-W195 HydrophobicContact CD2-CB 4.47Å; L183-W195 HydrophobicContact CD2-CD2 3.5Å; L183-W195 VanDerWaalsContact CD2-CD2 3.5Å; L183-W195 HydrophobicContact CD2-CE3 3.48Å; L183-W195 VanDerWaalsContact CD2-CE3 3.48Å; L183-W195 HydrophobicContact CD2-CG 3.93Å; L183-W195 HydrophobicContact CD2-CH2 4.36Å; L183-W195 HydrophobicContact CD2-CZ2 4.39Å; L183-W195 HydrophobicContact CD2-CZ3 3.93Å; G191-W195 PolarHBondContact O-N 3.27Å; M192-W195 PolarHBondContact O-N 3.18Å; M192-W195 HydrophobicContact SD-CE3 4.3Å; Q193-W195 VanDerWaalsContact C-N 3.29Å; Q193-W195 PolarHBondContact O-N 2.59Å; W195-S198 PolarHBondContact O-N 3.34Å; W195-Y199 AromaticContact CH2-CD2 3.92Å; W195-Y199 HydrophobicContact CH2-CD2 3.92Å; W195-Y199 HydrophobicContact CH2-CE2 4.19Å; W195-Y199 HydrophobicContact CH2-CG 4.43Å; W195-Y199 AromaticContact CZ2-CD2 3.73Å; W195-Y199 HydrophobicContact CZ2-CD2 3.73Å; W195-Y199 HydrophobicContact CZ2-CE2 4.08Å; W195-Y199 WeakPolarHBondContact O-CB 3.48Å; W195-Y199 PolarHBondContact O-N 2.98Å; W195-I219 HydrophobicContact CH2-CD1 3.82Å; W195-I219 HydrophobicContact CZ3-CD1 3.97Å; W195-F309 HydrophobicContact CZ3-CE1 4.19Å; W195-F309 HydrophobicContact CZ3-CZ 4.32Å
196	L	95.8	Very high	91.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-44.9	178.1	-75.7	172	0	0	0	112.6	M192 Q193 S198 Y199 H200 L308 F309 Y312	M192-L196 HydrophobicContact CG-CD1 4.04Å; M192-L196 WeakPolarHBondContact O-CG 3.3Å; M192-L196 PolarHBondContact O-N 3.5Å; M192-L196 HydrophobicContact SD-CD1 4.32Å; M192-L196 HydrophobicContact SD-CG 4.31Å; Q193-L196 PolarHBondContact O-N 2.68Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 2.76Å; L196-Y199 PolarHBondContact O-N 3.37Å; L196-H200 PolarHBondContact O-CD2 2.8Å; L196-H200 VanDerWaalsContact O-CD2 3.31Å; L196-H200 PolarHBondContact O-N 3.09Å; L196-L308 HydrophobicContact CD1-CB 3.74Å; L196-F309 HydrophobicContact CD1-CD1 4.41Å; L196-F309 HydrophobicContact CD1-CD2 4.16Å; L196-F309 HydrophobicContact CD1-CE2 4.38Å; L196-F309 HydrophobicContact CD1-CG 4.19Å; L196-F309 HydrophobicContact CD2-CD1 3.74Å; L196-F309 HydrophobicContact CD2-CE1 3.66Å; L196-F309 HydrophobicContact CD2-CG 4.34Å; L196-F309 HydrophobicContact CD2-CZ 4.2Å; L196-Y312 HydrophobicContact CB-CD2 4.31Å; L196-Y312 HydrophobicContact CB-CE2 3.65Å; L196-Y312 HydrophobicContact CD1-CD2 4.28Å; L196-Y312 HydrophobicContact CD1-CE2 4.09Å; L196-Y312 HydrophobicContact CD2-CD2 4.36Å; L196-Y312 HydrophobicContact CG-CE2 4.31Å
197	E	94.9	Very high	91.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-43.8	177.2	-86.6	-168.3	178.2	0	0	111.9	Q193 H200 H201 T202 T204 T205 Y312	Q193-E197 PolarHBondContact NE2-OE1 3.13Å; Q193-E197 WeakPolarHBondContact O-CB 3.38Å; Q193-E197 PolarHBondContact O-N 2.7Å; E197-H200 PolarHBondContact O-N 3.32Å; E197-H201 WeakPolarHBondContact O-CA 3.32Å; E197-H201 PolarHBondContact O-N 2.78Å; E197-T202 CarbonylContact C-O 3.53Å; E197-T202 WeakPolarHBondContact CA-O 3.37Å; E197-T202 WeakPolarHBondContact CB-O 3.49Å; E197-T202 WeakPolarHBondContact CG-O 3.39Å; E197-T202 PolarHBondContact O-N 3.03Å; E197-T204 PolarHBondContact OE1-N 3.36Å; E197-T204 VanDerWaalsContact OE1-N 3.1Å; E197-T204 PolarHBondContact OE1-OG1 3.09Å; E197-T205 VanDerWaalsContact CD-OG1 3.29Å; E197-T205 WeakPolarHBondContact OE1-CB 3.46Å; E197-T205 WeakPolarHBondContact OE1-CG2 3.19Å; E197-T205 PolarHBondContact OE1-N 3.17Å; E197-T205 PolarHBondContact OE1-OG1 2.91Å; E197-T205 PolarHBondContact OE2-OG1 2.83Å; E197-Y312 WeakPolarHBondContact CG-OH 3.33Å
198	S	94.5	Very high	91.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-38.3	175.5	-162.9	0	0	0	0	112.8	A194 W195 L196 H200 H201 W209 S210 L212	A194-S198 WeakPolarHBondContact O-CB 3.15Å; A194-S198 PolarHBondContact O-N 3Å; A194-S198 VanDerWaalsContact O-N 3.14Å; W195-S198 PolarHBondContact O-N 3.34Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 2.76Å; S198-H200 VanDerWaalsContact C-N 3.32Å; S198-H200 PolarHBondContact O-N 3Å; S198-H201 PolarHBondContact O-N 2.87Å; S198-H201 PolarHBondContact O-ND1 2.76Å; S198-W209 WeakPolarHBondContact OG-CZ3 3.37Å; S198-S210 PolarHBondContact OG-O 3.2Å; S198-L212 WeakPolarHBondContact OG-CG 3.2Å
199	Y	95.4	Very high	91.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-38.1	177.2	-162.4	-88.4	0	0	0	112.4	I181 W195 L196 L212 R215 G216 G217 I219	I181-Y199 HydrophobicContact CD1-CE2 3.91Å; W195-Y199 AromaticContact CH2-CD2 3.92Å; W195-Y199 HydrophobicContact CH2-CD2 3.92Å; W195-Y199 HydrophobicContact CH2-CE2 4.19Å; W195-Y199 HydrophobicContact CH2-CG 4.43Å; W195-Y199 AromaticContact CZ2-CD2 3.73Å; W195-Y199 HydrophobicContact CZ2-CD2 3.73Å; W195-Y199 HydrophobicContact CZ2-CE2 4.08Å; W195-Y199 WeakPolarHBondContact O-CB 3.48Å; W195-Y199 PolarHBondContact O-N 2.98Å; L196-Y199 PolarHBondContact O-N 3.37Å; Y199-L212 HydrophobicContact CD2-CD1 3.66Å; Y199-L212 HydrophobicContact CG-CD1 4.26Å; Y199-R215 HydrophobicContact CD2-CG 4.14Å; Y199-R215 HydrophobicContact CE2-CG 3.65Å; Y199-R215 PolarHBondContact O-NE 3.04Å; Y199-R215 PolarHBondContact O-NH1 2.81Å; Y199-R215 PolarHBondContact O-NH2 2.8Å; Y199-G216 WeakPolarHBondContact OH-CA 3.38Å; Y199-G216 PolarHBondContact OH-N 3.34Å; Y199-G216 PolarHBondContact OH-O 3.29Å; Y199-G217 PolarHBondContact OH-O 3.42Å; Y199-I219 HydrophobicContact CD1-CD1 3.64Å; Y199-I219 HydrophobicContact CD1-CG1 4.27Å; Y199-I219 HydrophobicContact CD2-CD1 4.42Å; Y199-I219 HydrophobicContact CE1-CD1 3.45Å; Y199-I219 VanDerWaalsContact CE1-CD1 3.45Å; Y199-I219 HydrophobicContact CE1-CG1 3.57Å; Y199-I219 HydrophobicContact CE2-CD1 4.25Å; Y199-I219 HydrophobicContact CG-CD1 4.13Å
200	H	94.4	Very high	91.6	Very high	56 Å²	56	32.7 Å²	32.7	26%	0.259	18%	0.182	S	C	.	.	H	α-helix	trans	-95.5	-1.8	-179.4	-71.3	-80.7	0	0	0	114	L196 E197 S198 T202 Y312	L196-H200 PolarHBondContact O-CD2 2.8Å; L196-H200 VanDerWaalsContact O-CD2 3.31Å; L196-H200 PolarHBondContact O-N 3.09Å; E197-H200 PolarHBondContact O-N 3.32Å; S198-H200 VanDerWaalsContact C-N 3.32Å; S198-H200 PolarHBondContact O-N 3Å; H200-T202 VanDerWaalsContact C-N 3.27Å; H200-T202 HydrophobicContact CB-CG2 4.22Å; H200-T202 PolarHBondContact O-N 3.05Å; H200-Y312 HydrophobicContact CB-CD1 4.01Å; H200-Y312 HydrophobicContact CB-CE1 3.77Å; H200-Y312 AromaticContact CD2-CD1 3.55Å; H200-Y312 AromaticContact CD2-CE1 3.84Å; H200-Y312 AromaticContact CD2-CG 3.76Å; H200-Y312 AromaticContact CG-CD1 3.59Å; H200-Y312 AromaticContact CG-CE1 3.82Å; H200-Y312 AromaticContact NE2-CG 3.87Å
201	H	92.1	Very high	91.6	Very high	124 Å²	124	36.7 Å²	36.7	57%	0.574	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	41.9	-174.1	-54.7	-61.5	0	0	0	113.1	E197 S198 R215	E197-H201 WeakPolarHBondContact O-CA 3.32Å; E197-H201 PolarHBondContact O-N 2.78Å; S198-H201 PolarHBondContact O-N 2.87Å; S198-H201 PolarHBondContact O-ND1 2.76Å; H201-R215 PolarHBondContact CD2-NH1 3.37Å; H201-R215 PolarHBondContact NE2-NH1 3.05Å; H201-R215 VanDerWaalsContact NE2-NH1 3.14Å
202	T	90.8	Very high	91.6	Very high	47 Å²	47	38 Å²	38	29%	0.288	22%	0.216	S	C	.	.			trans	-116.6	143.1	178.3	53.8	0	0	0	0	109.8	E197 H200 Y312	E197-T202 CarbonylContact C-O 3.53Å; E197-T202 WeakPolarHBondContact CA-O 3.37Å; E197-T202 WeakPolarHBondContact CB-O 3.49Å; E197-T202 WeakPolarHBondContact CG-O 3.39Å; E197-T202 PolarHBondContact O-N 3.03Å; H200-T202 VanDerWaalsContact C-N 3.27Å; H200-T202 HydrophobicContact CB-CG2 4.22Å; H200-T202 PolarHBondContact O-N 3.05Å; T202-Y312 PolarHBondContact OG1-OH 3.22Å
203	N	87.8	Confident	91.3	Very high	94 Å²	94	45.2 Å²	45.2	50%	0.503	25%	0.249	S	C	.	.			trans	-124	76.1	172.6	-168.2	-5.7	0	0	0	109.5	G206 M207	N203-G206 WeakPolarHBondContact OD1-CA 3.47Å; N203-G206 PolarHBondContact OD1-N 3.36Å; N203-M207 PolarHBondContact OD1-N 2.86Å
204	T	83.2	Confident	90.9	Very high	88 Å²	88	45.5 Å²	45.5	54%	0.54	25%	0.253	S	S	.	.	S	Bend	trans	-81.9	-32.7	-176.2	52.2	0	0	0	0	112.5	E197	E197-T204 PolarHBondContact OE1-N 3.36Å; E197-T204 VanDerWaalsContact OE1-N 3.1Å; E197-T204 PolarHBondContact OE1-OG1 3.09Å
205	T	84.3	Confident	90.6	Very high	17 Å²	17	50.6 Å²	50.6	10%	0.104	27%	0.272	C	S	.	.	S	Bend	trans	-98	-13.9	-173.7	58.6	0	0	0	0	112.5	R110 Q193 E197 L588	R110-T205 PolarHBondContact NH1-O 3.14Å; R110-T205 PolarHBondContact NH2-O 3.23Å; Q193-T205 HydrophobicContact CG-CG2 4.15Å; E197-T205 VanDerWaalsContact CD-OG1 3.29Å; E197-T205 WeakPolarHBondContact OE1-CB 3.46Å; E197-T205 WeakPolarHBondContact OE1-CG2 3.19Å; E197-T205 PolarHBondContact OE1-N 3.17Å; E197-T205 PolarHBondContact OE1-OG1 2.91Å; E197-T205 PolarHBondContact OE2-OG1 2.83Å; T205-L588 WeakPolarHBondContact CG2-O 3.28Å
206	G	83.1	Confident	90.3	Very high	41 Å²	41	51.1 Å²	51.1	42%	0.423	28%	0.277	S	S	.	.			trans	80.5	27.8	-174.9	0	0	0	0	0	112.2	R110 N203	R110-G206 PolarHBondContact NH1-O 2.95Å; N203-G206 WeakPolarHBondContact OD1-CA 3.47Å; N203-G206 PolarHBondContact OD1-N 3.36Å
207	M	87.2	Confident	90.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.283	C	S	.	.			trans	-81.2	143.1	179	-170.3	174.3	-62.9	0	0	110.5	F108 R110 I190 Q193 A194 N203	F108-M207 HydrophobicContact CB-SD 4.4Å; F108-M207 HydrophobicContact CD2-SD 4.21Å; R110-M207 HydrophobicContact CB-CE 4.21Å; R110-M207 HydrophobicContact CB-CG 4.27Å; R110-M207 HydrophobicContact CG-CE 4.31Å; I190-M207 HydrophobicContact CG2-CE 3.75Å; Q193-M207 HydrophobicContact CB-CE 4.16Å; Q193-M207 HydrophobicContact CG-CE 4.05Å; A194-M207 WeakPolarHBondContact CA-SD 3.26Å; A194-M207 HydrophobicContact CB-SD 3.24Å; A194-M207 WeakPolarHBondContact CB-SD 3.42Å; N203-M207 PolarHBondContact OD1-N 2.86Å
208	D	90.3	Very high	90	Very high	101 Å²	101	53.8 Å²	53.8	54%	0.54	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	171.9	-65.3	-39	0	0	0	109	F108 S109	F108-D208 CarbonylContact C-O 3.54Å; F108-D208 VanDerWaalsContact CA-O 3.25Å; F108-D208 WeakPolarHBondContact CA-O 3.47Å; S109-D208 PolarHBondContact N-O 3.25Å; S109-D208 PolarHBondContact O-N 3.24Å; S109-D208 WeakPolarHBondContact OG-CB 3.35Å
209	W	91.8	Very high	90.1	Very high	64 Å²	64	53.9 Å²	53.9	24%	0.242	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.3	179.6	47.8	-102.4	0	0	0	111.5	F108 S198 P211	F108-W209 HydrophobicContact CB-CB 4.37Å; S198-W209 WeakPolarHBondContact OG-CZ3 3.37Å; W209-P211 HydrophobicContact CZ3-CB 4.49Å
210	S	93	Very high	90	Very high	39 Å²	39	54.6 Å²	54.6	27%	0.273	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-75.1	141.5	170.2	65	0	0	0	0	110.4	Q106 S107 S198	Q106-S210 WeakPolarHBondContact CA-OG 3.21Å; S107-S210 PolarHBondContact N-OG 2.88Å; S107-S210 PolarHBondContact O-N 3.36Å; S107-S210 PolarHBondContact O-OG 2.93Å; S198-S210 PolarHBondContact OG-O 3.2Å
211	P	91.1	Very high	90.1	Very high	96 Å²	96	51.9 Å²	51.9	62%	0.623	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-61.8	141.3	177.3	25.9	-33.7	0	0	0	111.7	W209 Q213	W209-P211 HydrophobicContact CZ3-CB 4.49Å; P211-Q213 PolarHBondContact O-N 3.32Å
212	L	92.3	Very high	90.3	Very high	28 Å²	28	46.1 Å²	46.1	15%	0.147	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-65.4	122.7	176.9	-60.1	-173.3	0	0	0	110.8	Q106 Y130 S198 Y199 G214	Q106-L212 HydrophobicContact CB-CD2 4Å; Q106-L212 HydrophobicContact CG-CD2 3.86Å; Y130-L212 HydrophobicContact CE1-CD2 3.88Å; S198-L212 WeakPolarHBondContact OG-CG 3.2Å; Y199-L212 HydrophobicContact CD2-CD1 3.66Å; Y199-L212 HydrophobicContact CG-CD1 4.26Å; L212-G214 VanDerWaalsContact C-N 3.34Å
213	Q	89.3	Confident	90.7	Very high	150 Å²	150	43.9 Å²	43.9	70%	0.701	25%	0.249	S	C	*	.	S	Bend	trans	-72.1	-29.2	176.6	-66.5	178.4	-1.4	0	0	112.6	F104 P211	F104-Q213 HydrophobicContact CD1-CB 3.66Å; F104-Q213 HydrophobicContact CE1-CB 4.21Å; F104-Q213 HydrophobicContact CG-CB 4.49Å; P211-Q213 PolarHBondContact O-N 3.32Å
214	G	86.9	Confident	91.1	Very high	7 Å²	7	39.4 Å²	39.4	7%	0.072	23%	0.225	C	C	.	.	S	Bend	trans	-132	141.9	177.7	0	0	0	0	0	111.2	Y130 L212	Y130-G214 WeakPolarHBondContact CE2-O 3.45Å; Y130-G214 PolarHBondContact OH-N 2.87Å; Y130-G214 PolarHBondContact OH-O 2.82Å; L212-G214 VanDerWaalsContact C-N 3.34Å
215	R	89.4	Confident	91.7	Very high	106 Å²	106	35.2 Å²	35.2	40%	0.4	20%	0.2	S	C	.	.			trans	-132.3	144.7	179.7	-158.5	-178.9	170	177.8	-5.9	111.2	R134 Y199 H201	R134-R215 PolarHBondContact NH1-O 2.83Å; R134-R215 PolarHBondContact NH2-O 2.81Å; Y199-R215 HydrophobicContact CD2-CG 4.14Å; Y199-R215 HydrophobicContact CE2-CG 3.65Å; Y199-R215 PolarHBondContact O-NE 3.04Å; Y199-R215 PolarHBondContact O-NH1 2.81Å; Y199-R215 PolarHBondContact O-NH2 2.8Å; H201-R215 PolarHBondContact CD2-NH1 3.37Å; H201-R215 PolarHBondContact NE2-NH1 3.05Å; H201-R215 VanDerWaalsContact NE2-NH1 3.14Å
216	G	89.1	Confident	92.2	Very high	11 Å²	11	36 Å²	36	11%	0.113	20%	0.202	C	C	.	.			trans	-86.9	-173.4	166.7	0	0	0	0	0	111.6	Y199	Y199-G216 WeakPolarHBondContact OH-CA 3.38Å; Y199-G216 PolarHBondContact OH-N 3.34Å; Y199-G216 PolarHBondContact OH-O 3.29Å
217	G	90.6	Very high	92.7	Very high	11 Å²	11	34 Å²	34	11%	0.113	18%	0.182	C	C	.	.	S	Bend	trans	-70.8	-170.2	171.3	0	0	0	0	0	114.4	T141 Y199 I219	T141-G217 VanDerWaalsContact C-CA 3.41Å; T141-G217 CarbonylContact O-C 3.49Å; T141-G217 WeakPolarHBondContact O-CA 3.37Å; Y199-G217 PolarHBondContact OH-O 3.42Å; G217-I219 PolarHBondContact O-N 3.43Å
218	S	94.1	Very high	92.6	Very high	45 Å²	45	36.9 Å²	36.9	32%	0.315	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	124.9	169.5	178.7	0	0	0	0	109.7	T141 E142 A143 Q220 R352	T141-S218 PolarHBondContact O-N 2.98Å; E142-S218 CarbonylContact C-O 3.51Å; E142-S218 WeakPolarHBondContact CA-O 3.24Å; A143-S218 PolarHBondContact N-O 3.26Å; S218-Q220 PolarHBondContact O-N 3.17Å; S218-R352 PolarHBondContact OG-NH2 3.23Å
219	I	95.7	Very high	92.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.4	176	-57.2	163.8	0	0	0	107.9	A143 V145 W195 Y199 G217 I314	A143-I219 HydrophobicContact CB-CG1 4.43Å; A143-I219 CarbonylContact O-C 3.57Å; A143-I219 WeakPolarHBondContact O-CA 3.39Å; V145-I219 HydrophobicContact CG2-CD1 3.95Å; V145-I219 HydrophobicContact CG2-CG1 4.03Å; V145-I219 HydrophobicContact CG2-CG2 3.69Å; W195-I219 HydrophobicContact CH2-CD1 3.82Å; W195-I219 HydrophobicContact CZ3-CD1 3.97Å; Y199-I219 HydrophobicContact CD1-CD1 3.64Å; Y199-I219 HydrophobicContact CD1-CG1 4.27Å; Y199-I219 HydrophobicContact CD2-CD1 4.42Å; Y199-I219 HydrophobicContact CE1-CD1 3.45Å; Y199-I219 VanDerWaalsContact CE1-CD1 3.45Å; Y199-I219 HydrophobicContact CE1-CG1 3.57Å; Y199-I219 HydrophobicContact CE2-CD1 4.25Å; Y199-I219 HydrophobicContact CG-CD1 4.13Å; G217-I219 PolarHBondContact O-N 3.43Å; I219-I314 HydrophobicContact CB-CD1 3.73Å; I219-I314 HydrophobicContact CB-CG1 4.16Å; I219-I314 HydrophobicContact CB-CG2 4.42Å; I219-I314 HydrophobicContact CD1-CD1 4.03Å; I219-I314 HydrophobicContact CG1-CD1 4.47Å; I219-I314 HydrophobicContact CG2-CD1 3.96Å; I219-I314 HydrophobicContact CG2-CG1 4.25Å; I219-I314 HydrophobicContact CG2-CG2 3.59Å
220	Q	94.1	Very high	91.9	Very high	17 Å²	17	35.1 Å²	35.1	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-42.9	-178.7	-69.6	-69.8	-0	0	0	111.5	E142 A143 L144 K178 S218	E142-Q220 HydrophobicContact CB-CG 4.05Å; E142-Q220 HydrophobicContact CG-CG 4.26Å; E142-Q220 PolarHBondContact OE1-NE2 3.01Å; A143-Q220 PolarHBondContact O-N 2.94Å; L144-Q220 HydrophobicContact CD2-CB 4.24Å; K178-Q220 HydrophobicContact CD-CB 4.49Å; K178-Q220 HydrophobicContact CD-CG 4.32Å; S218-Q220 PolarHBondContact O-N 3.17Å
221	A	95.8	Very high	91.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	157.3	176.5	0	0	0	0	0	111.1	L144 V145 E315 L346	L144-A221 WeakPolarHBondContact CA-O 3.42Å; L144-A221 HydrophobicContact CD2-CB 4.12Å; V145-A221 PolarHBondContact N-O 3.38Å; A221-E315 CarbonylContact C-O 3.45Å; A221-E315 WeakPolarHBondContact CA-O 3.49Å; A221-E315 WeakPolarHBondContact CB-O 3.15Å; A221-L346 HydrophobicContact CB-CD1 4.07Å; A221-L346 HydrophobicContact CB-CD2 3.97Å; A221-L346 HydrophobicContact CB-CG 4.45Å
222	A	97	Very high	91.5	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144	177.3	0	0	0	0	0	112.1	V145 F309 I314 E315 A316 A317	V145-A222 HydrophobicContact CB-CB 3.8Å; V145-A222 HydrophobicContact CG1-CB 4.44Å; V145-A222 CarbonylContact O-C 3.53Å; V145-A222 VanDerWaalsContact O-CA 3.3Å; V145-A222 WeakPolarHBondContact O-CA 3.32Å; A222-F309 HydrophobicContact CB-CD1 3.69Å; A222-F309 HydrophobicContact CB-CD2 4.31Å; A222-F309 HydrophobicContact CB-CE1 3.57Å; A222-F309 HydrophobicContact CB-CE2 4.21Å; A222-F309 HydrophobicContact CB-CG 4.06Å; A222-F309 HydrophobicContact CB-CZ 3.85Å; A222-I314 HydrophobicContact CB-CG2 4.34Å; A222-E315 PolarHBondContact N-O 3.06Å; A222-A316 HydrophobicContact CB-CB 3.82Å; A222-A316 WeakPolarHBondContact O-CA 3.37Å; A222-A316 WeakPolarHBondContact O-CB 3.21Å; A222-A317 PolarHBondContact O-N 3.06Å
223	L	97.8	Very high	91.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.3	170.5	-67	178.4	0	0	0	108.8	V145 L146 S147 L251 A317 M342 F343 L346	V145-L223 PolarHBondContact O-N 2.64Å; L146-L223 WeakPolarHBondContact CA-O 3.46Å; L146-L223 HydrophobicContact CD1-CB 4.22Å; L146-L223 WeakPolarHBondContact CD1-O 3.45Å; S147-L223 PolarHBondContact N-O 3.43Å; L223-L251 HydrophobicContact CD2-CD1 4.16Å; L223-A317 WeakPolarHBondContact CA-O 3.31Å; L223-A317 HydrophobicContact CD2-CB 4.43Å; L223-M342 HydrophobicContact CD1-CB 4.04Å; L223-M342 HydrophobicContact CD1-CE 3.87Å; L223-M342 HydrophobicContact CD1-SD 4.26Å; L223-M342 HydrophobicContact CD2-CE 3.95Å; L223-F343 HydrophobicContact CB-CE2 4.12Å; L223-F343 HydrophobicContact CB-CZ 4.46Å; L223-F343 HydrophobicContact CD1-CD2 4.01Å; L223-F343 HydrophobicContact CD1-CE2 3.69Å; L223-F343 HydrophobicContact CG-CE2 4.28Å; L223-L346 HydrophobicContact CD1-CD1 4.08Å; L223-L346 HydrophobicContact CG-CD1 4.25Å
224	S	96.7	Very high	91.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.2	173.7	-162.1	0	0	0	0	111.1	S147 A317 T318 I319	S147-S224 CarbonylContact O-C 3.26Å; S147-S224 WeakPolarHBondContact O-CA 3.4Å; S147-S224 WeakPolarHBondContact OG-CA 3.48Å; S147-S224 WeakPolarHBondContact OG-CB 3.25Å; S147-S224 PolarHBondContact OG-OG 3.38Å; S224-A317 PolarHBondContact N-O 3.43Å; S224-T318 CarbonylContact O-C 3.49Å; S224-T318 WeakPolarHBondContact O-CA 3.26Å; S224-I319 PolarHBondContact O-N 3.42Å
225	L	96.1	Very high	92.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.3	-177.1	-60.3	178.3	0	0	0	111.6	L146 S147 N156 A159 L162 I319 L339	L146-L225 HydrophobicContact CD1-CD1 3.75Å; L146-L225 HydrophobicContact CD1-CD2 4.39Å; L146-L225 HydrophobicContact CD1-CG 3.83Å; L146-L225 HydrophobicContact CD2-CD1 4.3Å; L146-L225 HydrophobicContact CG-CD1 4.24Å; S147-L225 PolarHBondContact O-N 3.15Å; N156-L225 PolarHBondContact ND2-O 2.88Å; N156-L225 VanDerWaalsContact ND2-O 3.16Å; N156-L225 PolarHBondContact OD1-O 2.82Å; A159-L225 HydrophobicContact CB-CB 3.83Å; A159-L225 WeakPolarHBondContact CB-O 3.25Å; L162-L225 HydrophobicContact CD2-CD1 4.47Å; L225-I319 HydrophobicContact CD2-CB 4.21Å; L225-L339 HydrophobicContact CD1-CD1 3.64Å; L225-L339 HydrophobicContact CD2-CD1 3.57Å; L225-L339 HydrophobicContact CD2-CD2 3.68Å; L225-L339 HydrophobicContact CD2-CG 4.27Å; L225-L339 HydrophobicContact CG-CD1 4.25Å
226	E	94.8	Very high	92.5	Very high	32 Å²	32	18.3 Å²	18.3	15%	0.15	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	94	175.2	-72.8	-178.3	-157.3	0	0	110.8	P149 N156 T318 I319 K320 G321	P149-E226 HydrophobicContact CG-CG 4.33Å; N156-E226 VanDerWaalsContact OD1-CA 3.22Å; N156-E226 WeakPolarHBondContact OD1-CA 3.4Å; E226-T318 HydrophobicContact CB-CG2 4.22Å; E226-T318 HydrophobicContact CG-CG2 3.79Å; E226-I319 PolarHBondContact N-O 2.78Å; E226-K320 HydrophobicContact CB-CB 4.2Å; E226-K320 HydrophobicContact CB-CG 4.12Å; E226-K320 CarbonylContact O-C 3.59Å; E226-K320 VanDerWaalsContact O-CA 3.28Å; E226-K320 WeakPolarHBondContact O-CA 3.25Å; E226-G321 PolarHBondContact O-N 3.09Å
227	L	93.3	Very high	92.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.11	C	C	.	.			trans	-118.2	87.1	179.5	-54.9	-178.8	0	0	0	110.2	N156 Q158 A159 L162 I232	N156-L227 WeakPolarHBondContact CA-O 3.47Å; N156-L227 PolarHBondContact OD1-N 3.38Å; Q158-L227 HydrophobicContact CB-CB 4.11Å; A159-L227 HydrophobicContact CB-CB 4.02Å; A159-L227 HydrophobicContact CB-CD1 4.46Å; A159-L227 HydrophobicContact CB-CG 4.1Å; L162-L227 HydrophobicContact CB-CD1 4.4Å; L162-L227 HydrophobicContact CD2-CD1 3.78Å; L227-I232 HydrophobicContact CD1-CD1 4.04Å; L227-I232 HydrophobicContact CD2-CD1 3.76Å; L227-I232 HydrophobicContact CD2-CG1 4.5Å; L227-I232 HydrophobicContact CG-CD1 4.37Å
228	S	85.8	Confident	93.2	Very high	62 Å²	62	17.8 Å²	17.8	43%	0.434	11%	0.107	S	C	.	.			trans	-85.7	-7.4	-176.7	-57.4	0	0	0	0	114.9
229	S	85.6	Confident	93.2	Very high	38 Å²	38	15.7 Å²	15.7	27%	0.266	9%	0.092	S	C	.	.	S	Bend	trans	-126.1	145.4	-178.8	-163.7	0	0	0	0	111.8	V231 N323	S229-V231 PolarHBondContact O-N 2.98Å; S229-V231 PolarHBondContact OG-O 2.85Å; S229-N323 PolarHBondContact OG-ND2 3.3Å
230	D	81.3	Confident	93.2	Very high	90 Å²	90	15.6 Å²	15.6	48%	0.481	9%	0.092	S	C	.	.	S	Bend	trans	-64.5	-25	173	-73.6	8.1	0	0	0	112.4	Q158	Q158-D230 PolarHBondContact NE2-OD1 2.92Å
231	V	86	Confident	93.3	Very high	59 Å²	59	14.9 Å²	14.9	36%	0.358	9%	0.089	S	C	.	.	S	Bend	trans	-113	118.3	178.6	-177.7	0	0	0	0	108.6	S229 N323 K329	S229-V231 PolarHBondContact O-N 2.98Å; S229-V231 PolarHBondContact OG-O 2.85Å; V231-N323 WeakPolarHBondContact O-CB 3.46Å; V231-N323 VanDerWaalsContact O-CG 3.25Å; V231-N323 PolarHBondContact O-ND2 2.98Å; V231-K329 HydrophobicContact CG1-CG 4.38Å
232	I	90.3	Very high	93.2	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-103.9	122.2	176.9	-58.2	166.8	0	0	0	107.4	L227 S234 L235 T330 I332 V335	L227-I232 HydrophobicContact CD1-CD1 4.04Å; L227-I232 HydrophobicContact CD2-CD1 3.76Å; L227-I232 HydrophobicContact CD2-CG1 4.5Å; L227-I232 HydrophobicContact CG-CD1 4.37Å; I232-S234 WeakPolarHBondContact CG2-O 3.16Å; I232-L235 HydrophobicContact CG2-CD2 3.89Å; I232-T330 PolarHBondContact O-N 3.38Å; I232-I332 HydrophobicContact CD1-CD1 4.36Å; I232-I332 HydrophobicContact CD1-CG1 3.88Å; I232-V335 HydrophobicContact CD1-CG2 4.16Å
233	T	91.9	Very high	93	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.094	C	C	.	.			trans	-94.6	-39.4	177.2	63.6	0	0	0	0	111.1	I322 N323 S324 F325 Y328 T330	T233-I322 PolarHBondContact N-O 2.93Å; T233-I322 PolarHBondContact OG1-O 2.87Å; T233-N323 WeakPolarHBondContact CG2-OD1 3.29Å; T233-N323 WeakPolarHBondContact OG1-CA 3.3Å; T233-S324 PolarHBondContact OG1-N 2.84Å; T233-F325 VanDerWaalsContact CB-O 3.32Å; T233-F325 WeakPolarHBondContact CB-O 3.37Å; T233-F325 WeakPolarHBondContact CG2-O 3.29Å; T233-F325 PolarHBondContact OG1-N 3.24Å; T233-F325 VanDerWaalsContact OG1-N 3.15Å; T233-Y328 WeakPolarHBondContact CB-O 3.43Å; T233-Y328 WeakPolarHBondContact CG2-O 3.21Å; T233-T330 PolarHBondContact O-OG1 2.94Å
234	S	93.9	Very high	92.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	165.7	-179.7	56.5	0	0	0	0	110.8	I232 L265 I322 F325	I232-S234 WeakPolarHBondContact CG2-O 3.16Å; S234-L265 CarbonylContact C-O 3.57Å; S234-L265 VanDerWaalsContact CA-O 3.25Å; S234-L265 WeakPolarHBondContact CA-O 3.45Å; S234-L265 VanDerWaalsContact CB-O 3.29Å; S234-L265 WeakPolarHBondContact CB-O 3.34Å; S234-I322 PolarHBondContact N-O 2.9Å; S234-I322 PolarHBondContact O-N 3.16Å; S234-F325 VanDerWaalsContact OG-CD2 3.29Å; S234-F325 WeakPolarHBondContact OG-CD2 3.29Å
235	L	96.1	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.8	174.3	-61.5	178.7	0	0	0	110.4	I232 F255 V264 L265 C266 T267 I319 K320 V335 L338	I232-L235 HydrophobicContact CG2-CD2 3.89Å; L235-F255 HydrophobicContact CB-CE2 4.06Å; L235-F255 HydrophobicContact CB-CZ 3.82Å; L235-F255 HydrophobicContact CD1-CE2 4.4Å; L235-V264 HydrophobicContact CB-CG1 4.48Å; L235-V264 HydrophobicContact CD1-CG1 3.79Å; L235-V264 HydrophobicContact CG-CG1 3.9Å; L235-L265 PolarHBondContact N-O 3.22Å; L235-C266 CarbonylContact O-C 3.53Å; L235-C266 WeakPolarHBondContact O-CA 3.35Å; L235-T267 PolarHBondContact O-N 3.26Å; L235-I319 HydrophobicContact CB-CG2 4.27Å; L235-I319 HydrophobicContact CD1-CG2 4.31Å; L235-I319 HydrophobicContact CD2-CG2 4.24Å; L235-K320 CarbonylContact C-O 3.55Å; L235-K320 WeakPolarHBondContact CA-O 3.45Å; L235-V335 HydrophobicContact CD1-CG1 4.19Å; L235-V335 HydrophobicContact CD1-CG2 4.33Å; L235-V335 HydrophobicContact CD2-CG1 4.26Å; L235-V335 HydrophobicContact CD2-CG2 4.2Å; L235-L338 HydrophobicContact CD1-CD1 4.03Å; L235-L338 HydrophobicContact CD1-CD2 4.41Å
236	D	96.3	Very high	92.5	Very high	9 Å²	9	19.9 Å²	19.9	5%	0.048	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.7	174.1	-162.8	54.3	0	0	0	109.7	T267 I268 Q269 G270 K320 I322	D236-T267 WeakPolarHBondContact CA-O 3.37Å; D236-T267 WeakPolarHBondContact CA-OG1 3.24Å; D236-T267 VanDerWaalsContact CB-OG1 3.22Å; D236-T267 WeakPolarHBondContact CB-OG1 3.36Å; D236-T267 VanDerWaalsContact CG-OG1 3.29Å; D236-T267 VanDerWaalsContact OD1-CB 3.28Å; D236-T267 WeakPolarHBondContact OD1-CB 3.45Å; D236-T267 VanDerWaalsContact OD1-O 3.06Å; D236-T267 PolarHBondContact OD1-OG1 2.76Å; D236-I268 VanDerWaalsContact OD1-CA 3.25Å; D236-I268 WeakPolarHBondContact OD1-CA 3.41Å; D236-I268 PolarHBondContact OD1-N 2.8Å; D236-Q269 PolarHBondContact OD1-N 3.46Å; D236-G270 PolarHBondContact OD1-N 2.83Å; D236-G270 PolarHBondContact OD2-N 2.82Å; D236-K320 HydrophobicContact CB-CB 4.39Å; D236-K320 PolarHBondContact N-O 3.44Å; D236-K320 PolarHBondContact O-N 3.48Å; D236-I322 HydrophobicContact CB-CD1 3.52Å; D236-I322 HydrophobicContact CB-CG1 4Å
237	I	96.9	Very high	92.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.2	170.7	-170	169.4	0	0	0	110.1	L239 A252 F255 T267 I268 A317 L365	I237-L239 HydrophobicContact CD1-CD2 3.73Å; I237-L239 HydrophobicContact CG1-CD2 3.76Å; I237-L239 HydrophobicContact CG1-CG 4.27Å; I237-A252 HydrophobicContact CD1-CB 4.07Å; I237-F255 HydrophobicContact CB-CD1 3.71Å; I237-F255 HydrophobicContact CB-CE1 3.67Å; I237-F255 HydrophobicContact CB-CG 4.27Å; I237-F255 HydrophobicContact CB-CZ 4.22Å; I237-F255 HydrophobicContact CD1-CB 3.72Å; I237-F255 HydrophobicContact CD1-CD1 3.88Å; I237-F255 HydrophobicContact CD1-CG 3.84Å; I237-F255 HydrophobicContact CG1-CD1 4.36Å; I237-F255 HydrophobicContact CG2-CD1 3.86Å; I237-F255 HydrophobicContact CG2-CE1 3.87Å; I237-T267 PolarHBondContact N-O 2.95Å; I237-I268 HydrophobicContact CG2-CG1 4.43Å; I237-A317 HydrophobicContact CD1-CB 4.12Å; I237-A317 HydrophobicContact CG1-CB 4.19Å; I237-L365 HydrophobicContact CG2-CD2 3.62Å
238	I	96.8	Very high	92.6	Very high	9 Å²	9	18.3 Å²	18.3	5%	0.046	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.1	176.5	-48.4	174.8	0	0	0	107.8	W303 H306 T318 K320	I238-W303 HydrophobicContact CG2-CB 3.71Å; I238-H306 PolarHBondContact O-CE1 2.88Å; I238-H306 PolarHBondContact O-NE2 3.49Å; I238-T318 HydrophobicContact CD1-CG2 4.17Å; I238-T318 PolarHBondContact N-O 2.83Å; I238-T318 PolarHBondContact O-N 3.5Å; I238-T318 VanDerWaalsContact O-N 3.15Å; I238-K320 HydrophobicContact CD1-CB 3.98Å; I238-K320 HydrophobicContact CD1-CD 3.84Å; I238-K320 HydrophobicContact CG1-CB 4.46Å
239	L	96.1	Very high	92.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.086	C	C	.	.			trans	-124.3	-18.7	-170.3	-59	174.3	0	0	0	112.7	I237 G241 L246 P247 A252 I268 H306 A317 Y360 M362	I237-L239 HydrophobicContact CD1-CD2 3.73Å; I237-L239 HydrophobicContact CG1-CD2 3.76Å; I237-L239 HydrophobicContact CG1-CG 4.27Å; L239-G241 PolarHBondContact O-N 3.13Å; L239-L246 HydrophobicContact CB-CD2 4.25Å; L239-P247 HydrophobicContact CB-CG 4.26Å; L239-P247 HydrophobicContact CD2-CG 3.67Å; L239-P247 WeakPolarHBondContact O-CD 3.48Å; L239-A252 HydrophobicContact CD1-CB 3.98Å; L239-A252 HydrophobicContact CD2-CB 4.07Å; L239-I268 HydrophobicContact CD1-CD1 4.25Å; L239-H306 PolarHBondContact O-NE2 3.45Å; L239-A317 HydrophobicContact CD2-CB 4.1Å; L239-Y360 HydrophobicContact CD1-CE2 4.13Å; L239-M362 HydrophobicContact CD1-SD 3.84Å
240	E	95.7	Very high	93.3	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.073	C	C	.	.			trans	-75.7	110.6	-172.5	-60.8	82	179.8	0	0	112	L246 Q269 M293 K296 W303	E240-L246 HydrophobicContact CG-CD2 4.43Å; E240-Q269 PolarHBondContact OE1-NE2 3.38Å; E240-M293 WeakPolarHBondContact OE1-CG 3.36Å; E240-K296 HydrophobicContact CB-CB 4.36Å; E240-K296 HydrophobicContact CG-CB 3.79Å; E240-W303 HydrophobicContact CB-CB 4.4Å; E240-W303 HydrophobicContact CB-CG 4.32Å; E240-W303 PolarHBondContact O-N 3Å
241	G	94.3	Very high	93.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.05	C	C	.	.			trans	-100.6	-172.7	176.7	0	0	0	0	0	115.1	L239 G244 Q245 G307	L239-G241 PolarHBondContact O-N 3.13Å; G241-G244 PolarHBondContact O-N 2.97Å; G241-Q245 WeakPolarHBondContact CA-O 3.14Å; G241-Q245 PolarHBondContact N-O 2.76Å; G241-G307 VanDerWaalsContact CA-CA 3.44Å
242	L	93.6	Very high	94.3	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.016	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-59.8	137.8	-177.9	-172.6	70.5	0	0	0	111	G244 Q245 P302 G307 Y589	L242-G244 PolarHBondContact O-N 3.33Å; L242-G244 VanDerWaalsContact O-N 3.15Å; L242-Q245 WeakPolarHBondContact O-CB 3.41Å; L242-Q245 WeakPolarHBondContact O-CG 3.24Å; L242-Q245 PolarHBondContact O-N 3.47Å; L242-P302 HydrophobicContact CD1-CG 4.44Å; L242-G307 PolarHBondContact N-O 3.23Å; L242-Y589 WeakPolarHBondContact CD2-O 3.49Å
243	N	93.5	Very high	94.5	Very high	19 Å²	19	6.5 Å²	6.5	10%	0.102	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	57.7	22	-179.1	-59.6	-44.7	0	0	0	114.7	G300 N511 L592	N243-G300 PolarHBondContact N-O 3.06Å; N243-N511 WeakPolarHBondContact O-CB 3.17Å; N243-N511 PolarHBondContact O-ND2 2.9Å; N243-L592 PolarHBondContact OD1-N 3.43Å
244	G	92.1	Very high	94.6	Very high	3 Å²	3	6.4 Å²	6.4	3%	0.031	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	79.8	16.2	179.8	0	0	0	0	0	114.3	G241 L242 Q297	G241-G244 PolarHBondContact O-N 2.97Å; L242-G244 PolarHBondContact O-N 3.33Å; L242-G244 VanDerWaalsContact O-N 3.15Å; G244-Q297 VanDerWaalsContact CA-CG 3.46Å; G244-Q297 WeakPolarHBondContact O-CG 3.27Å; G244-Q297 PolarHBondContact O-NE2 3.33Å
245	Q	93.6	Very high	94.7	Very high	73 Å²	73	6.4 Å²	6.4	34%	0.341	3%	0.033	S	C	.	.			trans	-65.7	145.1	170.9	-68.2	179.4	2.4	0	0	110.7	G241 L242 L310	G241-Q245 WeakPolarHBondContact CA-O 3.14Å; G241-Q245 PolarHBondContact N-O 2.76Å; L242-Q245 WeakPolarHBondContact O-CB 3.41Å; L242-Q245 WeakPolarHBondContact O-CG 3.24Å; L242-Q245 PolarHBondContact O-N 3.47Å; Q245-L310 HydrophobicContact CB-CB 4.14Å; Q245-L310 HydrophobicContact CB-CD1 3.81Å; Q245-L310 WeakPolarHBondContact O-CD1 3.41Å; Q245-L310 VanDerWaalsContact OE1-C 3.3Å
246	L	95	Very high	94.6	Very high	11 Å²	11	7.7 Å²	7.7	6%	0.058	4%	0.038	C	C	.	.			trans	-125.3	145.4	176.4	-62.8	172.6	0	0	0	109	L239 E240 M293 Y360	L239-L246 HydrophobicContact CB-CD2 4.25Å; E240-L246 HydrophobicContact CG-CD2 4.43Å; L246-M293 HydrophobicContact CD1-CE 3.6Å; L246-M293 HydrophobicContact CD2-CE 3.83Å; L246-M293 HydrophobicContact CG-CE 4.39Å; L246-Y360 HydrophobicContact CB-CE1 4.24Å; L246-Y360 HydrophobicContact CD1-CD2 4.37Å; L246-Y360 HydrophobicContact CD1-CE1 4.48Å; L246-Y360 HydrophobicContact CD1-CE2 4.26Å; L246-Y360 VanDerWaalsContact CD1-O 3.28Å; L246-Y360 WeakPolarHBondContact CD1-O 3.45Å
247	P	95.1	Very high	94.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.			trans	-68.9	162.9	170.6	31.4	-35.8	0	0	0	110.5	L239 L249 L251 L310 E315 A316 Y360	L239-P247 HydrophobicContact CB-CG 4.26Å; L239-P247 HydrophobicContact CD2-CG 3.67Å; L239-P247 WeakPolarHBondContact O-CD 3.48Å; P247-L249 PolarHBondContact O-N 3.16Å; P247-L251 HydrophobicContact CB-CD2 4.19Å; P247-L310 HydrophobicContact CB-CD2 3.93Å; P247-E315 VanDerWaalsContact CA-OE2 3.31Å; P247-E315 WeakPolarHBondContact CA-OE2 3.36Å; P247-A316 WeakPolarHBondContact CB-O 3.45Å; P247-A316 WeakPolarHBondContact CG-O 3.44Å; P247-Y360 VanDerWaalsContact O-CE1 3.22Å; P247-Y360 WeakPolarHBondContact O-CE1 3.14Å; P247-Y360 PolarHBondContact O-OH 2.58Å
248	N	93.8	Very high	94.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.			trans	-49.7	128.4	169.9	-170.6	-65.2	0	0	0	111.5	D250 L251 E315 L353 S356 F358	N248-D250 PolarHBondContact O-N 3.28Å; N248-D250 VanDerWaalsContact O-N 3.09Å; N248-D250 WeakPolarHBondContact OD1-CB 3.41Å; N248-D250 PolarHBondContact OD1-N 2.77Å; N248-L251 WeakPolarHBondContact O-CB 3.25Å; N248-L251 PolarHBondContact O-N 3.39Å; N248-E315 HydrophobicContact CB-CG 4.05Å; N248-E315 PolarHBondContact N-OE2 3.2Å; N248-L353 HydrophobicContact CB-CB 4.07Å; N248-L353 HydrophobicContact CB-CD1 4.22Å; N248-S356 WeakPolarHBondContact OD1-CB 3.38Å; N248-F358 HydrophobicContact CB-CD1 4.46Å; N248-F358 HydrophobicContact CB-CE1 3.95Å; N248-F358 HydrophobicContact CB-CZ 4.39Å
249	L	93.8	Very high	94.3	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-55.9	-29.3	-175.8	-178.4	64.8	0	0	0	113.3	P247 L251 A252 N253 Y357 Y360 M362 F368	P247-L249 PolarHBondContact O-N 3.16Å; L249-L251 PolarHBondContact O-N 3.22Å; L249-A252 PolarHBondContact O-N 2.99Å; L249-N253 VanDerWaalsContact O-CG 3.27Å; L249-N253 PolarHBondContact O-N 3.42Å; L249-Y357 HydrophobicContact CD2-CD2 4.35Å; L249-Y357 PolarHBondContact N-O 3Å; L249-Y360 HydrophobicContact CB-CD1 3.9Å; L249-Y360 HydrophobicContact CB-CE1 3.69Å; L249-Y360 HydrophobicContact CD1-CD1 4.21Å; L249-Y360 HydrophobicContact CD1-CD2 3.83Å; L249-Y360 HydrophobicContact CD1-CE1 4.13Å; L249-Y360 HydrophobicContact CD1-CE2 3.73Å; L249-Y360 HydrophobicContact CD1-CG 4.07Å; L249-Y360 HydrophobicContact CG-CD1 4.48Å; L249-Y360 HydrophobicContact CG-CE1 4.47Å; L249-M362 HydrophobicContact CD1-CE 3.98Å; L249-M362 HydrophobicContact CD1-SD 3.86Å; L249-F368 HydrophobicContact CD1-CB 4.48Å; L249-F368 HydrophobicContact CD2-CB 4.27Å; L249-F368 HydrophobicContact CD2-CD1 3.72Å; L249-F368 HydrophobicContact CD2-CD2 3.62Å; L249-F368 HydrophobicContact CD2-CE1 3.86Å; L249-F368 HydrophobicContact CD2-CE2 3.76Å; L249-F368 HydrophobicContact CD2-CG 3.59Å; L249-F368 HydrophobicContact CD2-CZ 3.88Å
250	D	93.1	Very high	94.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.5	-26	178.5	-77.2	6.9	0	0	0	112.3	S51 E52 N248 N253 L254 L353 S356	S51-D250 WeakPolarHBondContact CA-OD2 3.27Å; S51-D250 WeakPolarHBondContact CB-OD2 3.44Å; S51-D250 PolarHBondContact N-OD1 2.82Å; S51-D250 PolarHBondContact N-OD2 3.46Å; S51-D250 VanDerWaalsContact OG-CG 3.28Å; S51-D250 PolarHBondContact OG-OD1 3.34Å; S51-D250 PolarHBondContact OG-OD2 2.96Å; E52-D250 WeakPolarHBondContact CB-OD2 3.5Å; E52-D250 PolarHBondContact N-OD2 3.34Å; N248-D250 PolarHBondContact O-N 3.28Å; N248-D250 VanDerWaalsContact O-N 3.09Å; N248-D250 WeakPolarHBondContact OD1-CB 3.41Å; N248-D250 PolarHBondContact OD1-N 2.77Å; D250-N253 PolarHBondContact O-N 3.24Å; D250-L254 WeakPolarHBondContact O-CB 3.33Å; D250-L254 PolarHBondContact O-N 2.69Å; D250-L353 HydrophobicContact CB-CD2 4.24Å; D250-S356 VanDerWaalsContact OD1-CB 3.25Å; D250-S356 WeakPolarHBondContact OD1-CB 3.31Å; D250-S356 PolarHBondContact OD1-OG 3.04Å
251	L	93.9	Very high	94	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.9	-40.2	174.2	-172	61.6	0	0	0	111.7	L223 P247 N248 L249 L254 F255 A316 A317 L346	L223-L251 HydrophobicContact CD2-CD1 4.16Å; P247-L251 HydrophobicContact CB-CD2 4.19Å; N248-L251 WeakPolarHBondContact O-CB 3.25Å; N248-L251 PolarHBondContact O-N 3.39Å; L249-L251 PolarHBondContact O-N 3.22Å; L251-L254 WeakPolarHBondContact O-CB 3.2Å; L251-L254 PolarHBondContact O-N 3.01Å; L251-F255 PolarHBondContact O-N 3.26Å; L251-A316 VanDerWaalsContact CD2-C 3.49Å; L251-A317 HydrophobicContact CD2-CB 3.7Å; L251-A317 HydrophobicContact CG-CB 4.18Å; L251-L346 HydrophobicContact CD1-CD1 4.41Å; L251-L346 HydrophobicContact CD1-CD2 4.11Å
252	A	94.8	Very high	93.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.8	-40.3	175.1	0	0	0	0	0	111.6	I237 L239 L249 L254 F255 Y256 M362	I237-A252 HydrophobicContact CD1-CB 4.07Å; L239-A252 HydrophobicContact CD1-CB 3.98Å; L239-A252 HydrophobicContact CD2-CB 4.07Å; L249-A252 PolarHBondContact O-N 2.99Å; A252-L254 VanDerWaalsContact C-N 3.3Å; A252-L254 PolarHBondContact O-N 3.18Å; A252-F255 WeakPolarHBondContact O-CB 3.26Å; A252-F255 PolarHBondContact O-N 2.87Å; A252-Y256 PolarHBondContact O-N 3.36Å; A252-M362 HydrophobicContact CB-SD 4.32Å
253	N	94.1	Very high	93.8	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-41.3	175.1	-62.1	-17.5	0	0	0	110.5	T48 Y49 M50 L249 D250 F255 Y256 A257	T48-N253 VanDerWaalsContact CB-OD1 3.22Å; T48-N253 WeakPolarHBondContact CB-OD1 3.4Å; T48-N253 WeakPolarHBondContact CG2-OD1 3.41Å; Y49-N253 PolarHBondContact O-ND2 2.67Å; M50-N253 HydrophobicContact CE-CB 3.57Å; M50-N253 WeakPolarHBondContact CE-O 3.39Å; M50-N253 HydrophobicContact SD-CB 3.63Å; L249-N253 VanDerWaalsContact O-CG 3.27Å; L249-N253 PolarHBondContact O-N 3.42Å; D250-N253 PolarHBondContact O-N 3.24Å; N253-F255 PolarHBondContact O-N 3.26Å; N253-Y256 PolarHBondContact O-N 2.72Å; N253-A257 WeakPolarHBondContact O-CB 3.26Å; N253-A257 PolarHBondContact O-N 3.48Å
254	L	94.1	Very high	93.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-48.7	177	-175.3	67.2	0	0	0	111.3	M55 D250 L251 A252 A257 F258 M342 K345 L346	M55-L254 HydrophobicContact CB-CD1 4.42Å; M55-L254 HydrophobicContact SD-CB 4.5Å; M55-L254 HydrophobicContact SD-CD1 4.37Å; M55-L254 HydrophobicContact SD-CD2 4.03Å; D250-L254 WeakPolarHBondContact O-CB 3.33Å; D250-L254 PolarHBondContact O-N 2.69Å; L251-L254 WeakPolarHBondContact O-CB 3.2Å; L251-L254 PolarHBondContact O-N 3.01Å; A252-L254 VanDerWaalsContact C-N 3.3Å; A252-L254 PolarHBondContact O-N 3.18Å; L254-A257 PolarHBondContact O-N 2.75Å; L254-F258 HydrophobicContact CD1-CD2 3.91Å; L254-F258 HydrophobicContact CD1-CE2 3.55Å; L254-F258 HydrophobicContact CG-CD2 4.09Å; L254-F258 HydrophobicContact CG-CE2 4.1Å; L254-F258 VanDerWaalsContact O-CD2 3.32Å; L254-F258 WeakPolarHBondContact O-CD2 3.45Å; L254-F258 PolarHBondContact O-N 2.78Å; L254-F258 VanDerWaalsContact O-N 3.12Å; L254-M342 HydrophobicContact CD2-CB 4.3Å; L254-M342 HydrophobicContact CD2-CE 4.45Å; L254-M342 HydrophobicContact CD2-CG 4.39Å; L254-M342 HydrophobicContact CG-CG 4.3Å; L254-K345 HydrophobicContact CD1-CB 3.9Å; L254-K345 HydrophobicContact CD1-CG 3.95Å; L254-K345 HydrophobicContact CD2-CB 4.13Å; L254-L346 HydrophobicContact CD2-CD2 4.18Å; L254-L346 HydrophobicContact CD2-CG 4.24Å
255	F	95.6	Very high	93.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.5	-52.4	174.2	168.5	-102.7	0	0	0	111	L235 I237 L251 A252 N253 A257 F258 C259 C266 I319 L338 M342 L365	L235-F255 HydrophobicContact CB-CE2 4.06Å; L235-F255 HydrophobicContact CB-CZ 3.82Å; L235-F255 HydrophobicContact CD1-CE2 4.4Å; I237-F255 HydrophobicContact CB-CD1 3.71Å; I237-F255 HydrophobicContact CB-CE1 3.67Å; I237-F255 HydrophobicContact CB-CG 4.27Å; I237-F255 HydrophobicContact CB-CZ 4.22Å; I237-F255 HydrophobicContact CD1-CB 3.72Å; I237-F255 HydrophobicContact CD1-CD1 3.88Å; I237-F255 HydrophobicContact CD1-CG 3.84Å; I237-F255 HydrophobicContact CG1-CD1 4.36Å; I237-F255 HydrophobicContact CG2-CD1 3.86Å; I237-F255 HydrophobicContact CG2-CE1 3.87Å; L251-F255 PolarHBondContact O-N 3.26Å; A252-F255 WeakPolarHBondContact O-CB 3.26Å; A252-F255 PolarHBondContact O-N 2.87Å; N253-F255 PolarHBondContact O-N 3.26Å; F255-A257 PolarHBondContact O-N 3.16Å; F255-F258 PolarHBondContact O-N 3.11Å; F255-C259 VanDerWaalsContact CZ-SG 3.54Å; F255-C259 PolarHBondContact O-N 3.32Å; F255-C259 PolarHBondContact O-SG 2.81Å; F255-C266 HydrophobicContact CE1-CB 3.84Å; F255-C266 HydrophobicContact CZ-CB 4.03Å; F255-I319 HydrophobicContact CD2-CD1 4.04Å; F255-I319 HydrophobicContact CD2-CG1 4.1Å; F255-I319 HydrophobicContact CE2-CD1 4.34Å; F255-I319 HydrophobicContact CE2-CG1 4.15Å; F255-I319 HydrophobicContact CE2-CG2 3.96Å; F255-L338 HydrophobicContact CD2-CD2 4.23Å; F255-L338 HydrophobicContact CE2-CD2 4.37Å; F255-M342 HydrophobicContact CB-CE 3.85Å; F255-M342 HydrophobicContact CB-SD 4.28Å; F255-M342 HydrophobicContact CD2-SD 4.17Å; F255-L365 HydrophobicContact CE1-CD1 4.39Å
256	Y	94.9	Very high	93.8	Very high	27 Å²	27	20.7 Å²	20.7	11%	0.106	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-43.3	-178.2	178.4	-130.8	0	0	0	112.9	A252 N253 F258 C259 Q260 Q273 L365	A252-Y256 PolarHBondContact O-N 3.36Å; N253-Y256 PolarHBondContact O-N 2.72Å; Y256-F258 VanDerWaalsContact C-N 3.32Å; Y256-F258 PolarHBondContact O-N 2.7Å; Y256-C259 WeakPolarHBondContact O-CB 3.42Å; Y256-C259 PolarHBondContact O-N 2.95Å; Y256-Q260 HydrophobicContact CD2-CG 4.14Å; Y256-Q260 HydrophobicContact CE1-CG 4.48Å; Y256-Q260 HydrophobicContact CE2-CG 3.66Å; Y256-Q260 WeakPolarHBondContact O-CG 3.29Å; Y256-Q260 PolarHBondContact O-N 3.34Å; Y256-Q260 PolarHBondContact OH-NE2 3.37Å; Y256-Q273 VanDerWaalsContact CD2-NE2 3.3Å; Y256-Q273 VanDerWaalsContact CE2-CD 3.4Å; Y256-Q273 PolarHBondContact OH-OE1 3.42Å; Y256-L365 HydrophobicContact CD2-CB 4.01Å; Y256-L365 HydrophobicContact CD2-CD1 4.39Å; Y256-L365 HydrophobicContact CE2-CB 4.4Å; Y256-L365 HydrophobicContact CG-CB 4.08Å
257	A	93.8	Very high	93.8	Very high	19 Å²	19	20.2 Å²	20.2	16%	0.157	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-38.5	178.5	0	0	0	0	0	112.3	M50 T58 N253 L254 F255 K261	M50-A257 HydrophobicContact CE-CB 3.59Å; T58-A257 HydrophobicContact CG2-CB 3.81Å; N253-A257 WeakPolarHBondContact O-CB 3.26Å; N253-A257 PolarHBondContact O-N 3.48Å; L254-A257 PolarHBondContact O-N 2.75Å; F255-A257 PolarHBondContact O-N 3.16Å; A257-K261 WeakPolarHBondContact O-CB 3.23Å; A257-K261 PolarHBondContact O-N 3.07Å
258	F	94.6	Very high	93.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73	-35.6	174.4	-83.1	-66.7	0	0	0	113	T58 E62 L254 F255 Y256 Q260 K261 I262 L338 G341 M342 K345	T58-F258 HydrophobicContact CG2-CE1 4.4Å; T58-F258 HydrophobicContact CG2-CZ 4.47Å; E62-F258 WeakPolarHBondContact OE1-CE1 3.22Å; L254-F258 HydrophobicContact CD1-CD2 3.91Å; L254-F258 HydrophobicContact CD1-CE2 3.55Å; L254-F258 HydrophobicContact CG-CD2 4.09Å; L254-F258 HydrophobicContact CG-CE2 4.1Å; L254-F258 VanDerWaalsContact O-CD2 3.32Å; L254-F258 WeakPolarHBondContact O-CD2 3.45Å; L254-F258 PolarHBondContact O-N 2.78Å; L254-F258 VanDerWaalsContact O-N 3.12Å; F255-F258 PolarHBondContact O-N 3.11Å; Y256-F258 VanDerWaalsContact C-N 3.32Å; Y256-F258 PolarHBondContact O-N 2.7Å; F258-Q260 VanDerWaalsContact C-N 3.34Å; F258-Q260 PolarHBondContact O-N 2.79Å; F258-K261 HydrophobicContact CD1-CD 4.35Å; F258-K261 HydrophobicContact CE1-CD 4.42Å; F258-K261 PolarHBondContact O-N 3.22Å; F258-I262 HydrophobicContact CD1-CD1 4.45Å; F258-I262 WeakPolarHBondContact O-CB 3.28Å; F258-I262 WeakPolarHBondContact O-CG1 3.47Å; F258-I262 PolarHBondContact O-N 2.94Å; F258-L338 HydrophobicContact CB-CD1 4.33Å; F258-L338 HydrophobicContact CB-CG 4.08Å; F258-G341 VanDerWaalsContact CE2-C 3.4Å; F258-G341 WeakPolarHBondContact CE2-O 3.31Å; F258-G341 VanDerWaalsContact CZ-O 3.27Å; F258-G341 WeakPolarHBondContact CZ-O 3.39Å; F258-M342 HydrophobicContact CD2-CG 3.7Å; F258-M342 HydrophobicContact CE2-CG 4.28Å; F258-M342 HydrophobicContact CG-CG 4.38Å; F258-K345 HydrophobicContact CE2-CG 3.82Å; F258-K345 HydrophobicContact CZ-CG 3.85Å
259	C	94.3	Very high	93.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-47.5	171.6	-68.3	0	0	0	0	111.3	F255 Y256 G263 V264 C266 L338	F255-C259 VanDerWaalsContact CZ-SG 3.54Å; F255-C259 PolarHBondContact O-N 3.32Å; F255-C259 PolarHBondContact O-SG 2.81Å; Y256-C259 WeakPolarHBondContact O-CB 3.42Å; Y256-C259 PolarHBondContact O-N 2.95Å; C259-G263 WeakPolarHBondContact O-CA 3.11Å; C259-G263 PolarHBondContact O-N 3.3Å; C259-V264 PolarHBondContact O-N 3.08Å; C259-C266 HydrophobicContact CB-CB 3.77Å; C259-C266 WeakPolarHBondContact CB-SG 3.25Å; C259-C266 VanDerWaalsContact SG-CB 3.51Å; C259-L338 HydrophobicContact CB-CD1 4.42Å; C259-L338 WeakPolarHBondContact SG-CD1 3.11Å
260	Q	92.9	Very high	93.7	Very high	121 Å²	121	22.2 Å²	22.2	57%	0.565	13%	0.134	S	C	*	.	H	α-helix	trans	-61.8	-46.6	176.7	-71.8	-173.4	-27.4	0	0	112.2	Y256 F258 I262 G263	Y256-Q260 HydrophobicContact CD2-CG 4.14Å; Y256-Q260 HydrophobicContact CE1-CG 4.48Å; Y256-Q260 HydrophobicContact CE2-CG 3.66Å; Y256-Q260 WeakPolarHBondContact O-CG 3.29Å; Y256-Q260 PolarHBondContact O-N 3.34Å; Y256-Q260 PolarHBondContact OH-NE2 3.37Å; F258-Q260 VanDerWaalsContact C-N 3.34Å; F258-Q260 PolarHBondContact O-N 2.79Å; Q260-I262 PolarHBondContact O-N 2.78Å; Q260-G263 PolarHBondContact O-N 2.83Å
261	K	93.3	Very high	93.7	Very high	80 Å²	80	24 Å²	24	35%	0.348	14%	0.141	S	C	.	.	H	α-helix	trans	-61.4	-44.1	-179	176	-178.2	166.3	-161.9	0	112.6	T58 V60 E62 A257 F258	T58-K261 WeakPolarHBondContact O-CD 3.4Å; T58-K261 WeakPolarHBondContact O-CE 3.41Å; T58-K261 PolarHBondContact O-NZ 3.15Å; V60-K261 PolarHBondContact O-NZ 3.39Å; E62-K261 IonicContact OE1-NZ 3.87Å; E62-K261 PolarHBondContact OE1-NZ 2.77Å; E62-K261 WeakPolarHBondContact OE2-CE 3.47Å; E62-K261 IonicContact OE2-NZ 3.54Å; E62-K261 PolarHBondContact OE2-NZ 2.75Å; A257-K261 WeakPolarHBondContact O-CB 3.23Å; A257-K261 PolarHBondContact O-N 3.07Å; F258-K261 HydrophobicContact CD1-CD 4.35Å; F258-K261 HydrophobicContact CE1-CD 4.42Å; F258-K261 PolarHBondContact O-N 3.22Å
262	I	92.1	Very high	93.5	Very high	41 Å²	41	26.3 Å²	26.3	21%	0.21	15%	0.153	C	C	.	.	H	α-helix	trans	-85.3	-16.9	-174.5	-62.7	172.5	0	0	0	111.2	F258 Q260 V264 T334 R337 L338	F258-I262 HydrophobicContact CD1-CD1 4.45Å; F258-I262 WeakPolarHBondContact O-CB 3.28Å; F258-I262 WeakPolarHBondContact O-CG1 3.47Å; F258-I262 PolarHBondContact O-N 2.94Å; Q260-I262 PolarHBondContact O-N 2.78Å; I262-V264 HydrophobicContact CB-CG2 4.27Å; I262-V264 HydrophobicContact CG2-CG2 3.85Å; I262-T334 HydrophobicContact CG2-CG2 3.25Å; I262-R337 HydrophobicContact CD1-CB 4.23Å; I262-L338 HydrophobicContact CD1-CB 3.73Å; I262-L338 HydrophobicContact CD1-CG 4.47Å
263	G	90.8	Very high	93.1	Very high	66 Å²	66	28.5 Å²	28.5	68%	0.68	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	33.6	-176.8	0	0	0	0	0	112.9	C259 Q260	C259-G263 WeakPolarHBondContact O-CA 3.11Å; C259-G263 PolarHBondContact O-N 3.3Å; Q260-G263 PolarHBondContact O-N 2.83Å
264	V	91.8	Very high	92.8	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.048	18%	0.179	C	C	.	.			trans	-93.4	131.3	176	-178.7	0	0	0	0	109.9	L235 C259 I262 C266 T330 T334	L235-V264 HydrophobicContact CB-CG1 4.48Å; L235-V264 HydrophobicContact CD1-CG1 3.79Å; L235-V264 HydrophobicContact CG-CG1 3.9Å; C259-V264 PolarHBondContact O-N 3.08Å; I262-V264 HydrophobicContact CB-CG2 4.27Å; I262-V264 HydrophobicContact CG2-CG2 3.85Å; V264-C266 PolarHBondContact O-N 3.46Å; V264-T330 HydrophobicContact CG1-CG2 4.01Å; V264-T330 HydrophobicContact CG2-CG2 4.12Å; V264-T334 HydrophobicContact CG2-CG2 3.45Å; V264-T334 VanDerWaalsContact CG2-CG2 3.45Å
265	L	93.8	Very high	92.2	Very high	46 Å²	46	39.5 Å²	39.5	24%	0.241	22%	0.215	C	C	.	.			trans	-66.3	126.1	173.4	-166.1	64.7	0	0	0	109.6	S234 L235 L272 F325 Y328	S234-L265 CarbonylContact C-O 3.57Å; S234-L265 VanDerWaalsContact CA-O 3.25Å; S234-L265 WeakPolarHBondContact CA-O 3.45Å; S234-L265 VanDerWaalsContact CB-O 3.29Å; S234-L265 WeakPolarHBondContact CB-O 3.34Å; L235-L265 PolarHBondContact N-O 3.22Å; L265-L272 HydrophobicContact CD1-CD2 3.63Å; L265-L272 HydrophobicContact CD2-CD2 3.65Å; L265-L272 HydrophobicContact CG-CD2 3.51Å; L265-F325 HydrophobicContact CD2-CB 4.28Å; L265-F325 HydrophobicContact CD2-CD2 4.32Å; L265-F325 HydrophobicContact CD2-CG 4.31Å; L265-Y328 HydrophobicContact CD2-CD2 3.75Å; L265-Y328 HydrophobicContact CD2-CE2 4.16Å; L265-Y328 HydrophobicContact CD2-CG 3.99Å
266	C	94.3	Very high	91.8	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.4	-177.8	53.4	0	0	0	0	112.7	L235 F255 C259 V264 Q273 L365	L235-C266 CarbonylContact O-C 3.53Å; L235-C266 WeakPolarHBondContact O-CA 3.35Å; F255-C266 HydrophobicContact CE1-CB 3.84Å; F255-C266 HydrophobicContact CZ-CB 4.03Å; C259-C266 HydrophobicContact CB-CB 3.77Å; C259-C266 WeakPolarHBondContact CB-SG 3.25Å; C259-C266 VanDerWaalsContact SG-CB 3.51Å; V264-C266 PolarHBondContact O-N 3.46Å; C266-Q273 PolarHBondContact SG-NE2 2.68Å; C266-L365 HydrophobicContact CB-CD1 3.95Å
267	T	95.1	Very high	91.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	161.4	179.8	57.1	0	0	0	0	110.8	L235 D236 I237 R271 L272 F325 L365	L235-T267 PolarHBondContact O-N 3.26Å; D236-T267 WeakPolarHBondContact CA-O 3.37Å; D236-T267 WeakPolarHBondContact CA-OG1 3.24Å; D236-T267 VanDerWaalsContact CB-OG1 3.22Å; D236-T267 WeakPolarHBondContact CB-OG1 3.36Å; D236-T267 VanDerWaalsContact CG-OG1 3.29Å; D236-T267 VanDerWaalsContact OD1-CB 3.28Å; D236-T267 WeakPolarHBondContact OD1-CB 3.45Å; D236-T267 VanDerWaalsContact OD1-O 3.06Å; D236-T267 PolarHBondContact OD1-OG1 2.76Å; I237-T267 PolarHBondContact N-O 2.95Å; T267-R271 VanDerWaalsContact CA-O 3.29Å; T267-R271 WeakPolarHBondContact CA-O 3.19Å; T267-R271 WeakPolarHBondContact CB-O 3.19Å; T267-R271 WeakPolarHBondContact CG2-O 3.44Å; T267-L272 HydrophobicContact CG2-CD2 3.57Å; T267-L272 HydrophobicContact CG2-CG 4.03Å; T267-F325 HydrophobicContact CG2-CE2 3.94Å; T267-F325 HydrophobicContact CG2-CZ 4.37Å; T267-L365 WeakPolarHBondContact O-CD1 3.39Å
268	I	95.2	Very high	90.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137	161.8	-170.9	172	0	0	0	107.1	D236 I237 L239 G270 R271 T289 M362 L365	D236-I268 VanDerWaalsContact OD1-CA 3.25Å; D236-I268 WeakPolarHBondContact OD1-CA 3.41Å; D236-I268 PolarHBondContact OD1-N 2.8Å; I237-I268 HydrophobicContact CG2-CG1 4.43Å; L239-I268 HydrophobicContact CD1-CD1 4.25Å; I268-G270 PolarHBondContact O-N 2.83Å; I268-R271 PolarHBondContact N-O 3.39Å; I268-R271 WeakPolarHBondContact O-CB 3.49Å; I268-R271 PolarHBondContact O-N 3.24Å; I268-T289 HydrophobicContact CG2-CG2 3.8Å; I268-M362 HydrophobicContact CD1-CB 3.55Å; I268-M362 HydrophobicContact CD1-CE 4.49Å; I268-M362 HydrophobicContact CD1-CG 4.14Å; I268-M362 HydrophobicContact CD1-SD 3.69Å; I268-L365 HydrophobicContact CB-CD1 4.45Å; I268-L365 HydrophobicContact CB-CD2 3.88Å; I268-L365 HydrophobicContact CB-CG 3.84Å; I268-L365 HydrophobicContact CD1-CD2 4.19Å; I268-L365 HydrophobicContact CG1-CD2 4.46Å; I268-L365 HydrophobicContact CG2-CD2 4.41Å; I268-L365 HydrophobicContact CG2-CG 3.97Å
269	Q	94.5	Very high	90.4	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.061	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.9	-171.6	-46.9	-51.1	-34.5	0	0	113.9	D236 E240 R271 T289 L292 M293 K296	D236-Q269 PolarHBondContact OD1-N 3.46Å; E240-Q269 PolarHBondContact OE1-NE2 3.38Å; Q269-R271 PolarHBondContact O-N 3.49Å; Q269-T289 HydrophobicContact CB-CG2 4.39Å; Q269-T289 HydrophobicContact CG-CG2 4.23Å; Q269-L292 HydrophobicContact CB-CB 3.93Å; Q269-L292 HydrophobicContact CB-CD1 4Å; Q269-L292 HydrophobicContact CG-CB 3.94Å; Q269-M293 HydrophobicContact CG-CB 4.38Å; Q269-K296 VanDerWaalsContact OE1-CD 3.23Å; Q269-K296 VanDerWaalsContact OE1-CE 3.22Å
270	G	91.4	Very high	90.3	Very high	28 Å²	28	56.3 Å²	56.3	29%	0.289	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	8.8	-173.8	0	0	0	0	0	114.6	D236 I268	D236-G270 PolarHBondContact OD1-N 2.83Å; D236-G270 PolarHBondContact OD2-N 2.82Å; I268-G270 PolarHBondContact O-N 2.83Å
271	R	91.9	Very high	90.2	Very high	38 Å²	38	53.4 Å²	53.4	14%	0.143	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.9	179.7	-59.5	-55.1	-173.2	163.8	4.3	111	T267 I268 Q269 T289 L292 L561 E563	T267-R271 VanDerWaalsContact CA-O 3.29Å; T267-R271 WeakPolarHBondContact CA-O 3.19Å; T267-R271 WeakPolarHBondContact CB-O 3.19Å; T267-R271 WeakPolarHBondContact CG2-O 3.44Å; I268-R271 PolarHBondContact N-O 3.39Å; I268-R271 WeakPolarHBondContact O-CB 3.49Å; I268-R271 PolarHBondContact O-N 3.24Å; Q269-R271 PolarHBondContact O-N 3.49Å; R271-T289 HydrophobicContact CB-CG2 4.26Å; R271-T289 WeakPolarHBondContact CB-OG1 3.34Å; R271-L292 HydrophobicContact CG-CD1 4.14Å; R271-L561 PolarHBondContact NH2-O 3.12Å; R271-E563 IonicContact CZ-OE1 2.76Å; R271-E563 VanDerWaalsContact CZ-OE1 3.23Å; R271-E563 VanDerWaalsContact NH1-CD 3.32Å; R271-E563 IonicContact NH1-OE1 3.24Å; R271-E563 PolarHBondContact NH1-OE1 3.33Å; R271-E563 IonicContact NH1-OE2 3.69Å; R271-E563 VanDerWaalsContact NH2-CD 3.32Å; R271-E563 IonicContact NH2-OE1 3.89Å; R271-E563 PolarHBondContact NH2-OE1 3.36Å
272	L	90.5	Very high	90.1	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.1	178.1	-76.4	173.5	0	0	0	111.2	L265 T267 H285 F325	L265-L272 HydrophobicContact CD1-CD2 3.63Å; L265-L272 HydrophobicContact CD2-CD2 3.65Å; L265-L272 HydrophobicContact CG-CD2 3.51Å; T267-L272 HydrophobicContact CG2-CD2 3.57Å; T267-L272 HydrophobicContact CG2-CG 4.03Å; L272-H285 PolarHBondContact O-CE1 3.02Å; L272-H285 PolarHBondContact O-NE2 3.21Å; L272-F325 HydrophobicContact CD1-CD1 3.67Å; L272-F325 HydrophobicContact CD1-CE1 3.31Å; L272-F325 HydrophobicContact CD1-CE2 4.37Å; L272-F325 HydrophobicContact CD1-CG 4.34Å; L272-F325 HydrophobicContact CD1-CZ 3.71Å; L272-F325 HydrophobicContact CD2-CE2 4.2Å; L272-F325 HydrophobicContact CD2-CZ 4.19Å; L272-F325 HydrophobicContact CG-CD1 4.4Å; L272-F325 HydrophobicContact CG-CE1 3.74Å; L272-F325 HydrophobicContact CG-CE2 4.08Å; L272-F325 HydrophobicContact CG-CZ 3.55Å
273	Q	86.3	Confident	90.1	Very high	46 Å²	46	50.3 Å²	50.3	22%	0.215	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69	139.2	175.4	-65	174.7	41	0	0	111.4	Y256 C266 L365	Y256-Q273 VanDerWaalsContact CD2-NE2 3.3Å; Y256-Q273 VanDerWaalsContact CE2-CD 3.4Å; Y256-Q273 PolarHBondContact OH-OE1 3.42Å; C266-Q273 PolarHBondContact SG-NE2 2.68Å; Q273-L365 HydrophobicContact CG-CB 4.15Å; Q273-L365 HydrophobicContact CG-CD1 4.48Å; Q273-L365 VanDerWaalsContact NE2-CB 3.26Å
274	R	86.8	Confident	90.2	Very high	93 Å²	93	49.7 Å²	49.7	35%	0.351	27%	0.272	S	S	.	.			trans	-121	144.3	176.1	-76.3	-171.5	80.3	133.7	-0.7	109.4	D276 W277 S281	R274-D276 VanDerWaalsContact CB-OD1 3.31Å; R274-D276 WeakPolarHBondContact CB-OD1 3.41Å; R274-D276 IonicContact CZ-OD1 2.76Å; R274-D276 IonicContact CZ-OD2 2.71Å; R274-D276 IonicContact NE-OD1 3.48Å; R274-D276 PolarHBondContact NE-OD1 3.25Å; R274-D276 IonicContact NE-OD2 3.27Å; R274-D276 PolarHBondContact NE-OD2 3.35Å; R274-D276 IonicContact NH2-OD1 3.36Å; R274-D276 IonicContact NH2-OD2 3.41Å; R274-D276 PolarHBondContact NH2-OD2 3.11Å; R274-W277 PolarHBondContact O-NE1 3.39Å; R274-W277 VanDerWaalsContact O-NE1 3.13Å; R274-S281 PolarHBondContact NH2-OG 3.13Å
275	N	82.6	Confident	90.3	Very high	140 Å²	140	50.8 Å²	50.8	75%	0.749	28%	0.277	S	S	*	.	S	Bend	trans	-107.8	-4.6	178.7	-67.7	-21.6	0	0	0	112.2	W277	N275-W277 VanDerWaalsContact C-N 3.31Å; N275-W277 PolarHBondContact O-N 2.98Å
276	D	86.7	Confident	90.3	Very high	56 Å²	56	48.7 Å²	48.7	30%	0.299	27%	0.266	S	S	.	.			trans	-91.5	51.9	-177.3	60.5	-43.7	0	0	0	112.4	R274 D278 S279 S281 G282	R274-D276 VanDerWaalsContact CB-OD1 3.31Å; R274-D276 WeakPolarHBondContact CB-OD1 3.41Å; R274-D276 IonicContact CZ-OD1 2.76Å; R274-D276 IonicContact CZ-OD2 2.71Å; R274-D276 IonicContact NE-OD1 3.48Å; R274-D276 PolarHBondContact NE-OD1 3.25Å; R274-D276 IonicContact NE-OD2 3.27Å; R274-D276 PolarHBondContact NE-OD2 3.35Å; R274-D276 IonicContact NH2-OD1 3.36Å; R274-D276 IonicContact NH2-OD2 3.41Å; R274-D276 PolarHBondContact NH2-OD2 3.11Å; D276-D278 VanDerWaalsContact C-N 3.27Å; D276-D278 PolarHBondContact O-N 3.38Å; D276-S279 WeakPolarHBondContact O-CB 3.45Å; D276-S279 PolarHBondContact O-N 3.5Å; D276-S279 PolarHBondContact O-OG 3.4Å; D276-S279 PolarHBondContact OD2-OG 3.49Å; D276-S281 PolarHBondContact OD2-OG 3.01Å; D276-G282 WeakPolarHBondContact O-CA 3.27Å
277	W	80.9	Confident	90.3	Very high	26 Å²	26	48.9 Å²	48.9	10%	0.098	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.8	-175.4	-66.9	89	0	0	0	114.2	E42 R274 N275 S279 A286 P363 S364 H367	E42-W277 HydrophobicContact CB-CB 4.3Å; R274-W277 PolarHBondContact O-NE1 3.39Å; R274-W277 VanDerWaalsContact O-NE1 3.13Å; N275-W277 VanDerWaalsContact C-N 3.31Å; N275-W277 PolarHBondContact O-N 2.98Å; W277-S279 PolarHBondContact O-N 2.81Å; W277-A286 HydrophobicContact CE3-CB 4.12Å; W277-A286 HydrophobicContact CH2-CB 4.29Å; W277-A286 HydrophobicContact CZ3-CB 3.56Å; W277-P363 HydrophobicContact CH2-CB 4.16Å; W277-P363 HydrophobicContact CH2-CG 4.2Å; W277-P363 HydrophobicContact CZ3-CB 4.18Å; W277-P363 HydrophobicContact CZ3-CG 4.32Å; W277-S364 VanDerWaalsContact CH2-CB 3.47Å; W277-S364 VanDerWaalsContact CZ2-CB 3.43Å; W277-H367 HydrophobicContact CH2-CB 3.94Å; W277-H367 HydrophobicContact CZ2-CB 4.05Å; W277-H367 AromaticContact CZ2-CG 3.92Å; W277-H367 AromaticContact CZ2-ND1 3.6Å
278	D	83.3	Confident	90.3	Very high	156 Å²	156	51.9 Å²	51.9	83%	0.834	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.6	177	-65.5	-40.4	0	0	0	113.3	D276	D276-D278 VanDerWaalsContact C-N 3.27Å; D276-D278 PolarHBondContact O-N 3.38Å
279	S	91	Very high	90.4	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	28%	0.281	C	S	.	.	S	Bend	trans	-80.5	148.4	-179.5	78.3	0	0	0	0	111.1	D276 W277 S281 G282 Y283	D276-S279 WeakPolarHBondContact O-CB 3.45Å; D276-S279 PolarHBondContact O-N 3.5Å; D276-S279 PolarHBondContact O-OG 3.4Å; D276-S279 PolarHBondContact OD2-OG 3.49Å; W277-S279 PolarHBondContact O-N 2.81Å; S279-S281 PolarHBondContact O-N 3.19Å; S279-S281 PolarHBondContact OG-OG 2.85Å; S279-G282 PolarHBondContact O-N 3.1Å; S279-G282 PolarHBondContact OG-N 3.03Å; S279-Y283 PolarHBondContact O-N 3.03Å
280	V	90.3	Very high	90.4	Very high	128 Å²	128	51.2 Å²	51.2	78%	0.776	28%	0.278	S	S	*	.	H	α-helix	trans	-57	-36.6	174	179.4	0	0	0	0	111.1	S284	V280-S284 VanDerWaalsContact O-CB 3.28Å; V280-S284 WeakPolarHBondContact O-CB 3.3Å; V280-S284 PolarHBondContact O-N 3.14Å
281	S	91.6	Very high	90.7	Very high	59 Å²	59	50.9 Å²	50.9	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-40.6	175.8	44.3	0	0	0	0	113.1	R274 D276 S279 H285	R274-S281 PolarHBondContact NH2-OG 3.13Å; D276-S281 PolarHBondContact OD2-OG 3.01Å; S279-S281 PolarHBondContact O-N 3.19Å; S279-S281 PolarHBondContact OG-OG 2.85Å; S281-H285 VanDerWaalsContact O-CB 3.28Å; S281-H285 WeakPolarHBondContact O-CB 3.26Å; S281-H285 PolarHBondContact O-N 2.97Å
282	G	91.6	Very high	90.9	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-46	178.1	0	0	0	0	0	111.8	D276 S279 H285 A286	D276-G282 WeakPolarHBondContact O-CA 3.27Å; S279-G282 PolarHBondContact O-N 3.1Å; S279-G282 PolarHBondContact OG-N 3.03Å; G282-H285 PolarHBondContact O-N 3.23Å; G282-A286 WeakPolarHBondContact O-CB 3.4Å; G282-A286 PolarHBondContact O-N 2.87Å
283	Y	92.2	Very high	91.2	Very high	54 Å²	54	46.9 Å²	46.9	21%	0.212	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-49.3	172.7	168.9	-100.8	0	0	0	111.9	M37 A40 F41 S279 H285 A286 V287	M37-Y283 PolarHBondContact O-OH 3.31Å; M37-Y283 VanDerWaalsContact O-OH 3.05Å; A40-Y283 HydrophobicContact CB-CD2 4.12Å; A40-Y283 HydrophobicContact CB-CE2 3.87Å; F41-Y283 HydrophobicContact CD1-CD2 4.28Å; F41-Y283 AromaticContact CD2-CD2 3.73Å; F41-Y283 HydrophobicContact CD2-CD2 3.73Å; F41-Y283 AromaticContact CD2-CE2 3.29Å; F41-Y283 HydrophobicContact CD2-CE2 3.29Å; F41-Y283 HydrophobicContact CE1-CD2 4.19Å; F41-Y283 HydrophobicContact CE1-CE2 4.48Å; F41-Y283 AromaticContact CE2-CD2 3.64Å; F41-Y283 HydrophobicContact CE2-CD2 3.64Å; F41-Y283 HydrophobicContact CE2-CE1 4.4Å; F41-Y283 AromaticContact CE2-CE2 3.11Å; F41-Y283 HydrophobicContact CE2-CE2 3.11Å; F41-Y283 HydrophobicContact CE2-CG 4.46Å; F41-Y283 AromaticContact CE2-CZ 3.55Å; F41-Y283 HydrophobicContact CG-CD2 4.06Å; F41-Y283 HydrophobicContact CG-CE2 4.08Å; F41-Y283 AromaticContact CZ-CD2 3.88Å; F41-Y283 HydrophobicContact CZ-CD2 3.88Å; F41-Y283 AromaticContact CZ-CE2 3.78Å; F41-Y283 HydrophobicContact CZ-CE2 3.78Å; F41-Y283 HydrophobicContact CZ-CG 4.33Å; S279-Y283 PolarHBondContact O-N 3.03Å; Y283-H285 VanDerWaalsContact C-N 3.28Å; Y283-H285 PolarHBondContact O-N 2.96Å; Y283-A286 WeakPolarHBondContact O-CB 3.47Å; Y283-A286 PolarHBondContact O-N 3.35Å; Y283-A286 VanDerWaalsContact O-N 3.16Å; Y283-V287 HydrophobicContact CD1-CG2 4.3Å; Y283-V287 HydrophobicContact CD2-CG2 4.08Å; Y283-V287 HydrophobicContact CE1-CG2 3.81Å; Y283-V287 HydrophobicContact CE2-CG2 3.54Å; Y283-V287 HydrophobicContact CG-CG2 4.44Å; Y283-V287 VanDerWaalsContact CZ-CG2 3.41Å; Y283-V287 WeakPolarHBondContact O-CG2 3.24Å; Y283-V287 PolarHBondContact O-N 2.84Å
284	S	92.8	Very high	91.7	Very high	53 Å²	53	44.9 Å²	44.9	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-57.9	-43.5	178.8	-173.1	0	0	0	0	111.5	V280 V287 Q288	V280-S284 VanDerWaalsContact O-CB 3.28Å; V280-S284 WeakPolarHBondContact O-CB 3.3Å; V280-S284 PolarHBondContact O-N 3.14Å; S284-V287 PolarHBondContact O-N 2.89Å; S284-Q288 WeakPolarHBondContact O-CB 3.23Å; S284-Q288 VanDerWaalsContact O-CG 3.27Å; S284-Q288 WeakPolarHBondContact O-CG 3.33Å; S284-Q288 PolarHBondContact O-N 3.38Å
285	H	93.7	Very high	92.2	Very high	30 Å²	30	41.4 Å²	41.4	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-42.2	176.9	-178	-79.9	0	0	0	112.6	L272 S281 G282 Y283 Q288 T289	L272-H285 PolarHBondContact O-CE1 3.02Å; L272-H285 PolarHBondContact O-NE2 3.21Å; S281-H285 VanDerWaalsContact O-CB 3.28Å; S281-H285 WeakPolarHBondContact O-CB 3.26Å; S281-H285 PolarHBondContact O-N 2.97Å; G282-H285 PolarHBondContact O-N 3.23Å; Y283-H285 VanDerWaalsContact C-N 3.28Å; Y283-H285 PolarHBondContact O-N 2.96Å; H285-Q288 PolarHBondContact O-N 2.83Å; H285-T289 WeakPolarHBondContact O-CB 3.34Å; H285-T289 PolarHBondContact O-N 3.48Å; H285-T289 PolarHBondContact O-OG1 2.8Å
286	A	94	Very high	92.8	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-44	176	0	0	0	0	0	111.8	A40 W277 G282 Y283 T289 M290 P363	A40-A286 HydrophobicContact CB-CB 4.09Å; W277-A286 HydrophobicContact CE3-CB 4.12Å; W277-A286 HydrophobicContact CH2-CB 4.29Å; W277-A286 HydrophobicContact CZ3-CB 3.56Å; G282-A286 WeakPolarHBondContact O-CB 3.4Å; G282-A286 PolarHBondContact O-N 2.87Å; Y283-A286 WeakPolarHBondContact O-CB 3.47Å; Y283-A286 PolarHBondContact O-N 3.35Å; Y283-A286 VanDerWaalsContact O-N 3.16Å; A286-T289 PolarHBondContact O-N 2.96Å; A286-M290 VanDerWaalsContact O-CB 3.31Å; A286-M290 WeakPolarHBondContact O-CB 3.19Å; A286-M290 PolarHBondContact O-N 2.9Å; A286-P363 HydrophobicContact CB-CB 3.92Å
287	V	94.6	Very high	93.3	Very high	16 Å²	16	33.3 Å²	33.3	10%	0.097	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-48.9	173.8	171.9	0	0	0	0	110.6	M37 A40 Y283 S284 T289 M290 M291	M37-V287 HydrophobicContact CE-CG1 3.61Å; M37-V287 HydrophobicContact CE-CG2 4.47Å; A40-V287 HydrophobicContact CB-CB 4.25Å; A40-V287 HydrophobicContact CB-CG2 3.33Å; Y283-V287 HydrophobicContact CD1-CG2 4.3Å; Y283-V287 HydrophobicContact CD2-CG2 4.08Å; Y283-V287 HydrophobicContact CE1-CG2 3.81Å; Y283-V287 HydrophobicContact CE2-CG2 3.54Å; Y283-V287 HydrophobicContact CG-CG2 4.44Å; Y283-V287 VanDerWaalsContact CZ-CG2 3.41Å; Y283-V287 WeakPolarHBondContact O-CG2 3.24Å; Y283-V287 PolarHBondContact O-N 2.84Å; S284-V287 PolarHBondContact O-N 2.89Å; V287-T289 VanDerWaalsContact C-N 3.33Å; V287-T289 PolarHBondContact O-N 3.45Å; V287-M290 PolarHBondContact O-N 3.43Å; V287-M291 HydrophobicContact CG1-CE 4.33Å; V287-M291 HydrophobicContact CG1-CG 4.06Å; V287-M291 WeakPolarHBondContact O-CB 3.22Å; V287-M291 WeakPolarHBondContact O-CG 3.33Å; V287-M291 PolarHBondContact O-N 3.5Å
288	Q	95.2	Very high	94	Very high	63 Å²	63	32.5 Å²	32.5	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-59.1	-44.9	179.6	-75.4	173.3	-17.7	0	0	111.7	S284 H285 M291 L292 L561	S284-Q288 WeakPolarHBondContact O-CB 3.23Å; S284-Q288 VanDerWaalsContact O-CG 3.27Å; S284-Q288 WeakPolarHBondContact O-CG 3.33Å; S284-Q288 PolarHBondContact O-N 3.38Å; H285-Q288 PolarHBondContact O-N 2.83Å; Q288-M291 PolarHBondContact O-N 3.31Å; Q288-L292 WeakPolarHBondContact O-CG 2.79Å; Q288-L292 PolarHBondContact O-N 3.37Å; Q288-L561 HydrophobicContact CB-CD2 4.29Å; Q288-L561 HydrophobicContact CG-CD2 4.14Å
289	T	95.8	Very high	94.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-45.5	177.8	-53.9	0	0	0	0	111.3	I268 Q269 R271 H285 A286 V287 L292 M293 P363	I268-T289 HydrophobicContact CG2-CG2 3.8Å; Q269-T289 HydrophobicContact CB-CG2 4.39Å; Q269-T289 HydrophobicContact CG-CG2 4.23Å; R271-T289 HydrophobicContact CB-CG2 4.26Å; R271-T289 WeakPolarHBondContact CB-OG1 3.34Å; H285-T289 WeakPolarHBondContact O-CB 3.34Å; H285-T289 PolarHBondContact O-N 3.48Å; H285-T289 PolarHBondContact O-OG1 2.8Å; A286-T289 PolarHBondContact O-N 2.96Å; V287-T289 VanDerWaalsContact C-N 3.33Å; V287-T289 PolarHBondContact O-N 3.45Å; T289-L292 PolarHBondContact O-N 3.39Å; T289-M293 PolarHBondContact O-N 3.19Å; T289-P363 WeakPolarHBondContact CB-O 3.26Å
290	M	96	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-43.5	176.1	-174.9	179.5	71.8	0	0	111.6	F36 L39 A40 A286 V287 M293 V294 L361 P363	F36-M290 HydrophobicContact CE1-CE 4.22Å; F36-M290 HydrophobicContact CZ-CE 4.33Å; L39-M290 HydrophobicContact CB-CE 4.28Å; L39-M290 HydrophobicContact CB-SD 4.02Å; A40-M290 HydrophobicContact CB-CE 4.42Å; A286-M290 VanDerWaalsContact O-CB 3.31Å; A286-M290 WeakPolarHBondContact O-CB 3.19Å; A286-M290 PolarHBondContact O-N 2.9Å; V287-M290 PolarHBondContact O-N 3.43Å; M290-M293 WeakPolarHBondContact O-CB 3.39Å; M290-M293 PolarHBondContact O-N 3.11Å; M290-V294 VanDerWaalsContact O-CG2 3.26Å; M290-V294 WeakPolarHBondContact O-CG2 3.46Å; M290-V294 PolarHBondContact O-N 2.88Å; M290-L361 HydrophobicContact CG-CB 4.14Å; M290-L361 HydrophobicContact CG-CD1 4.28Å; M290-L361 HydrophobicContact SD-CD1 4.32Å; M290-P363 HydrophobicContact CB-CB 4.36Å
291	M	96.9	Very high	94.6	Very high	20 Å²	20	24.4 Å²	24.4	10%	0.099	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-38.1	178.8	-69.8	-65.8	174.8	0	0	111.8	F36 M37 V287 Q288 M293 V294 M295 F557 L561	F36-M291 HydrophobicContact CD1-CE 3.72Å; F36-M291 HydrophobicContact CE1-CE 3.41Å; F36-M291 VanDerWaalsContact CE1-CE 3.41Å; F36-M291 HydrophobicContact CE1-SD 3.86Å; M37-M291 HydrophobicContact CE-CE 4.24Å; M37-M291 HydrophobicContact SD-CE 3.41Å; M37-M291 WeakPolarHBondContact SD-CE 3.45Å; V287-M291 HydrophobicContact CG1-CE 4.33Å; V287-M291 HydrophobicContact CG1-CG 4.06Å; V287-M291 WeakPolarHBondContact O-CB 3.22Å; V287-M291 WeakPolarHBondContact O-CG 3.33Å; V287-M291 PolarHBondContact O-N 3.5Å; Q288-M291 PolarHBondContact O-N 3.31Å; M291-M293 VanDerWaalsContact C-N 3.32Å; M291-M293 PolarHBondContact O-N 2.99Å; M291-V294 WeakPolarHBondContact O-CB 3.29Å; M291-V294 PolarHBondContact O-N 3.3Å; M291-M295 VanDerWaalsContact O-CG 3.26Å; M291-M295 WeakPolarHBondContact O-CG 3.34Å; M291-M295 PolarHBondContact O-N 3.24Å; M291-F557 HydrophobicContact CB-CE1 4.31Å; M291-F557 HydrophobicContact CB-CZ 4.47Å; M291-F557 HydrophobicContact CG-CZ 4.49Å; M291-L561 HydrophobicContact CB-CD1 3.71Å; M291-L561 HydrophobicContact CB-CD2 4.21Å
292	L	97.1	Very high	94.7	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-46.5	172.3	-79.9	167.2	0	0	0	111.3	Q269 R271 Q288 T289 V294 M295 K296 F558 L561 E562	Q269-L292 HydrophobicContact CB-CB 3.93Å; Q269-L292 HydrophobicContact CB-CD1 4Å; Q269-L292 HydrophobicContact CG-CB 3.94Å; R271-L292 HydrophobicContact CG-CD1 4.14Å; Q288-L292 WeakPolarHBondContact O-CG 2.79Å; Q288-L292 PolarHBondContact O-N 3.37Å; T289-L292 PolarHBondContact O-N 3.39Å; L292-V294 PolarHBondContact O-N 2.62Å; L292-M295 PolarHBondContact O-N 3.15Å; L292-K296 WeakPolarHBondContact O-CG 3.36Å; L292-K296 PolarHBondContact O-N 3.47Å; L292-F558 HydrophobicContact CD2-CD2 4.25Å; L292-F558 HydrophobicContact CD2-CE2 3.96Å; L292-L561 HydrophobicContact CD2-CB 3.5Å; L292-L561 HydrophobicContact CD2-CD1 4.35Å; L292-L561 HydrophobicContact CG-CB 3.86Å; L292-L561 HydrophobicContact CG-CD1 4.37Å; L292-E562 HydrophobicContact CD2-CG 3.98Å
293	M	96.3	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-43.2	175.5	-176.8	175.5	-179	0	0	111.7	E240 L246 Q269 T289 M290 M291 M295 K296 Q297 Y360 L361 M362	E240-M293 WeakPolarHBondContact OE1-CG 3.36Å; L246-M293 HydrophobicContact CD1-CE 3.6Å; L246-M293 HydrophobicContact CD2-CE 3.83Å; L246-M293 HydrophobicContact CG-CE 4.39Å; Q269-M293 HydrophobicContact CG-CB 4.38Å; T289-M293 PolarHBondContact O-N 3.19Å; M290-M293 WeakPolarHBondContact O-CB 3.39Å; M290-M293 PolarHBondContact O-N 3.11Å; M291-M293 VanDerWaalsContact C-N 3.32Å; M291-M293 PolarHBondContact O-N 2.99Å; M293-M295 PolarHBondContact O-N 3.46Å; M293-K296 PolarHBondContact O-N 2.85Å; M293-Q297 VanDerWaalsContact O-CB 3.27Å; M293-Q297 WeakPolarHBondContact O-CB 3.33Å; M293-Q297 PolarHBondContact O-N 3.28Å; M293-Y360 HydrophobicContact CE-CD2 4.08Å; M293-Y360 HydrophobicContact CE-CE2 3.99Å; M293-Y360 WeakPolarHBondContact CE-O 3.11Å; M293-L361 HydrophobicContact SD-CD2 4.44Å; M293-M362 HydrophobicContact SD-CB 3.99Å; M293-M362 HydrophobicContact SD-CG 4.34Å; M293-M362 PolarHBondContact SD-N 2.98Å
294	V	97.1	Very high	94.7	Very high	3 Å²	3	22 Å²	22	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-46.4	176.4	170.3	0	0	0	0	111	F36 M290 M291 L292 Q297 A298 L361 S513 I517	F36-V294 HydrophobicContact CZ-CG2 3.87Å; M290-V294 VanDerWaalsContact O-CG2 3.26Å; M290-V294 WeakPolarHBondContact O-CG2 3.46Å; M290-V294 PolarHBondContact O-N 2.88Å; M291-V294 WeakPolarHBondContact O-CB 3.29Å; M291-V294 PolarHBondContact O-N 3.3Å; L292-V294 PolarHBondContact O-N 2.62Å; V294-Q297 PolarHBondContact O-N 3.2Å; V294-A298 WeakPolarHBondContact O-CB 3.21Å; V294-A298 PolarHBondContact O-N 2.97Å; V294-L361 HydrophobicContact CG2-CD1 4.11Å; V294-L361 HydrophobicContact CG2-CD2 3.92Å; V294-S513 WeakPolarHBondContact CA-OG 3.48Å; V294-S513 WeakPolarHBondContact O-CB 3.49Å; V294-I517 HydrophobicContact CG1-CD1 4.26Å
295	M	96.9	Very high	94.7	Very high	20 Å²	20	19.6 Å²	19.6	10%	0.099	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-43.4	179.4	-65.9	-49.5	-68.7	0	0	112	M291 L292 M293 A298 S299 I517 S554 F557 F558 L561	M291-M295 VanDerWaalsContact O-CG 3.26Å; M291-M295 WeakPolarHBondContact O-CG 3.34Å; M291-M295 PolarHBondContact O-N 3.24Å; L292-M295 PolarHBondContact O-N 3.15Å; M293-M295 PolarHBondContact O-N 3.46Å; M295-A298 PolarHBondContact O-N 2.96Å; M295-S299 PolarHBondContact O-N 3.24Å; M295-S299 VanDerWaalsContact O-N 3.16Å; M295-I517 HydrophobicContact CE-CD1 4.43Å; M295-I517 HydrophobicContact SD-CD1 3.72Å; M295-S554 VanDerWaalsContact CE-O 3.31Å; M295-S554 WeakPolarHBondContact CE-O 3.2Å; M295-F557 HydrophobicContact CE-CD1 4.34Å; M295-F557 HydrophobicContact CG-CD1 4.16Å; M295-F557 HydrophobicContact CG-CE1 4.43Å; M295-F557 HydrophobicContact SD-CD1 3.91Å; M295-F557 HydrophobicContact SD-CE1 4.34Å; M295-F558 HydrophobicContact CB-CD2 3.55Å; M295-F558 HydrophobicContact CB-CE2 4.19Å; M295-F558 HydrophobicContact CB-CG 4.47Å; M295-F558 HydrophobicContact CE-CB 4.47Å; M295-F558 HydrophobicContact CG-CD2 4.24Å; M295-L561 HydrophobicContact CG-CD1 4.06Å
296	K	95.8	Very high	94.8	Very high	20 Å²	20	18.2 Å²	18.2	9%	0.087	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-43.9	175.5	-73.1	-167.2	-174.9	167	0	111.9	E240 Q269 L292 M293 S299 W303 F558	E240-K296 HydrophobicContact CB-CB 4.36Å; E240-K296 HydrophobicContact CG-CB 3.79Å; Q269-K296 VanDerWaalsContact OE1-CD 3.23Å; Q269-K296 VanDerWaalsContact OE1-CE 3.22Å; L292-K296 WeakPolarHBondContact O-CG 3.36Å; L292-K296 PolarHBondContact O-N 3.47Å; M293-K296 PolarHBondContact O-N 2.85Å; K296-S299 PolarHBondContact O-N 3.18Å; K296-S299 PolarHBondContact O-OG 2.55Å; K296-W303 HydrophobicContact CB-CD2 4.45Å; K296-W303 HydrophobicContact CB-CG 4.49Å; K296-W303 HydrophobicContact CB-CZ2 4.28Å; K296-W303 HydrophobicContact CD-CD2 3.87Å; K296-W303 HydrophobicContact CD-CE3 4.24Å; K296-W303 HydrophobicContact CD-CG 4.16Å; K296-W303 HydrophobicContact CD-CZ2 4.34Å; K296-W303 HydrophobicContact CG-CD2 4.08Å; K296-W303 HydrophobicContact CG-CH2 4.32Å; K296-W303 HydrophobicContact CG-CZ2 3.73Å; K296-W303 PolarHBondContact O-NE1 2.82Å; K296-W303 VanDerWaalsContact O-NE1 3.14Å; K296-F558 HydrophobicContact CG-CE2 3.85Å; K296-F558 HydrophobicContact CG-CZ 4.17Å
297	Q	95.4	Very high	94.8	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-65.7	-42.6	177.3	-167.3	-175.5	20.8	0	0	111.4	G244 M293 V294 S299 G300 N511 S513	G244-Q297 VanDerWaalsContact CA-CG 3.46Å; G244-Q297 WeakPolarHBondContact O-CG 3.27Å; G244-Q297 PolarHBondContact O-NE2 3.33Å; M293-Q297 VanDerWaalsContact O-CB 3.27Å; M293-Q297 WeakPolarHBondContact O-CB 3.33Å; M293-Q297 PolarHBondContact O-N 3.28Å; V294-Q297 PolarHBondContact O-N 3.2Å; Q297-S299 VanDerWaalsContact C-N 3.27Å; Q297-S299 PolarHBondContact O-N 2.93Å; Q297-G300 PolarHBondContact O-N 2.85Å; Q297-G300 VanDerWaalsContact O-N 3.09Å; Q297-N511 PolarHBondContact O-ND2 3.11Å; Q297-S513 PolarHBondContact OE1-OG 3.35Å
298	A	95.8	Very high	94.8	Very high	9 Å²	9	17.3 Å²	17.3	7%	0.074	8%	0.082	C	C	.	.	H	α-helix	trans	-62.3	-32.4	-179.1	0	0	0	0	0	113.2	V294 M295 G300 L514 I517	V294-A298 WeakPolarHBondContact O-CB 3.21Å; V294-A298 PolarHBondContact O-N 2.97Å; M295-A298 PolarHBondContact O-N 2.96Å; A298-G300 PolarHBondContact O-N 3.16Å; A298-L514 HydrophobicContact CB-CB 4.33Å; A298-I517 HydrophobicContact CB-CD1 3.62Å
299	S	94.6	Very high	94.8	Very high	44 Å²	44	14.4 Å²	14.4	31%	0.308	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.8	176.4	71.4	0	0	0	0	113.5	M295 K296 Q297 R301 W303	M295-S299 PolarHBondContact O-N 3.24Å; M295-S299 VanDerWaalsContact O-N 3.16Å; K296-S299 PolarHBondContact O-N 3.18Å; K296-S299 PolarHBondContact O-OG 2.55Å; Q297-S299 VanDerWaalsContact C-N 3.27Å; Q297-S299 PolarHBondContact O-N 2.93Å; S299-R301 PolarHBondContact O-N 3.24Å; S299-R301 VanDerWaalsContact OG-CG 3.25Å; S299-R301 WeakPolarHBondContact OG-CG 3.46Å; S299-W303 PolarHBondContact OG-NE1 3.44Å
300	G	92.1	Very high	94.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.			trans	65.1	1.2	177.7	0	0	0	0	0	115.5	N243 Q297 A298	N243-G300 PolarHBondContact N-O 3.06Å; Q297-G300 PolarHBondContact O-N 2.85Å; Q297-G300 VanDerWaalsContact O-N 3.09Å; A298-G300 PolarHBondContact O-N 3.16Å
301	R	91.8	Very high	94.6	Very high	104 Å²	104	17.9 Å²	17.9	39%	0.392	8%	0.082	S	C	.	.	S	Bend	trans	-79.8	147.6	170.3	59.6	178.7	-86.8	178.9	-4.1	110.6	S299 W303 D585	S299-R301 PolarHBondContact O-N 3.24Å; S299-R301 VanDerWaalsContact OG-CG 3.25Å; S299-R301 WeakPolarHBondContact OG-CG 3.46Å; R301-W303 HydrophobicContact CG-CZ2 4.44Å; R301-D585 WeakPolarHBondContact CB-OD2 3.46Å
302	P	92.4	Very high	94.4	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.019	8%	0.084	C	C	.	.			trans	-72.8	129.5	169.1	29.6	-29.3	0	0	0	110	L189 L242 G304 L308	L189-P302 HydrophobicContact CD1-CG 3.81Å; L189-P302 HydrophobicContact CD2-CB 4.32Å; L189-P302 HydrophobicContact CD2-CG 4.12Å; L242-P302 HydrophobicContact CD1-CG 4.44Å; P302-G304 VanDerWaalsContact C-N 3.35Å; P302-L308 HydrophobicContact CG-CD2 4.22Å
303	W	92.3	Very high	94.1	Very high	59 Å²	59	24.8 Å²	24.8	22%	0.223	11%	0.113	C	C	.	.	S	Bend	trans	-90	-0.3	-179.9	-75.2	86.2	0	0	0	114.1	I238 E240 K296 S299 R301 F558	I238-W303 HydrophobicContact CG2-CB 3.71Å; E240-W303 HydrophobicContact CB-CB 4.4Å; E240-W303 HydrophobicContact CB-CG 4.32Å; E240-W303 PolarHBondContact O-N 3Å; K296-W303 HydrophobicContact CB-CD2 4.45Å; K296-W303 HydrophobicContact CB-CG 4.49Å; K296-W303 HydrophobicContact CB-CZ2 4.28Å; K296-W303 HydrophobicContact CD-CD2 3.87Å; K296-W303 HydrophobicContact CD-CE3 4.24Å; K296-W303 HydrophobicContact CD-CG 4.16Å; K296-W303 HydrophobicContact CD-CZ2 4.34Å; K296-W303 HydrophobicContact CG-CD2 4.08Å; K296-W303 HydrophobicContact CG-CH2 4.32Å; K296-W303 HydrophobicContact CG-CZ2 3.73Å; K296-W303 PolarHBondContact O-NE1 2.82Å; K296-W303 VanDerWaalsContact O-NE1 3.14Å; S299-W303 PolarHBondContact OG-NE1 3.44Å; R301-W303 HydrophobicContact CG-CZ2 4.44Å; W303-F558 HydrophobicContact CH2-CE1 4.05Å; W303-F558 AromaticContact CH2-CZ 3.77Å; W303-F558 HydrophobicContact CH2-CZ 3.77Å; W303-F558 HydrophobicContact CZ2-CZ 4.26Å
304	G	92.3	Very high	94.1	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-167.6	173.3	169.4	0	0	0	0	0	110.6	P302 H306 G307	P302-G304 VanDerWaalsContact C-N 3.35Å; G304-H306 PolarHBondContact O-N 3.46Å; G304-H306 VanDerWaalsContact O-N 3.1Å; G304-G307 PolarHBondContact O-N 3.46Å
305	D	92.7	Very high	94	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.011	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.3	-177.1	-76.9	-10.7	0	0	0	113.9	P149 N185 L189 M192 G307 L308 F309	P149-D305 WeakPolarHBondContact CD-OD2 3.32Å; N185-D305 PolarHBondContact ND2-OD2 3.47Å; N185-D305 PolarHBondContact OD1-OD2 3.2Å; L189-D305 PolarHBondContact N-OD1 3.41Å; M192-D305 HydrophobicContact CB-CB 4.48Å; M192-D305 HydrophobicContact CE-CB 3.93Å; M192-D305 HydrophobicContact CG-CB 4.13Å; D305-G307 PolarHBondContact O-N 3.19Å; D305-G307 VanDerWaalsContact O-N 3.13Å; D305-L308 PolarHBondContact O-N 2.86Å; D305-F309 WeakPolarHBondContact O-CD2 3.14Å
306	H	95.2	Very high	93.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-54.6	-31.7	177.2	75.7	-81.2	0	0	0	112.8	I238 L239 G304 L308 F309 A316 A317 T318	I238-H306 PolarHBondContact O-CE1 2.88Å; I238-H306 PolarHBondContact O-NE2 3.49Å; L239-H306 PolarHBondContact O-NE2 3.45Å; G304-H306 PolarHBondContact O-N 3.46Å; G304-H306 VanDerWaalsContact O-N 3.1Å; H306-L308 PolarHBondContact O-N 2.78Å; H306-L308 VanDerWaalsContact O-N 3.11Å; H306-F309 WeakPolarHBondContact O-CB 3.44Å; H306-F309 PolarHBondContact O-N 3.21Å; H306-A316 HydrophobicContact CB-CB 3.68Å; H306-A316 PolarHBondContact CD2-O 3.01Å; H306-A317 VanDerWaalsContact CB-C 3.5Å; H306-T318 WeakPolarHBondContact ND1-CB 3.47Å; H306-T318 PolarHBondContact ND1-N 3.05Å; H306-T318 PolarHBondContact ND1-OG1 3.28Å
307	G	94.4	Very high	94	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-22.9	-175.9	0	0	0	0	0	114.1	G241 L242 G304 D305	G241-G307 VanDerWaalsContact CA-CA 3.44Å; L242-G307 PolarHBondContact N-O 3.23Å; G304-G307 PolarHBondContact O-N 3.46Å; D305-G307 PolarHBondContact O-N 3.19Å; D305-G307 VanDerWaalsContact O-N 3.13Å
308	L	95.1	Very high	94.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-83.9	-22.8	177.1	-61.2	178.3	0	0	0	113	L189 M192 Q193 L196 P302 D305 H306 Y312 Y589	L189-L308 HydrophobicContact CB-CD1 4.21Å; L189-L308 HydrophobicContact CD2-CD1 4.09Å; L189-L308 HydrophobicContact CD2-CG 4.3Å; L189-L308 VanDerWaalsContact O-CD1 3.26Å; L189-L308 WeakPolarHBondContact O-CD1 3.48Å; M192-L308 HydrophobicContact CB-CD1 4.07Å; M192-L308 HydrophobicContact CG-CD1 4.16Å; Q193-L308 HydrophobicContact CB-CD1 3.99Å; L196-L308 HydrophobicContact CD1-CB 3.74Å; P302-L308 HydrophobicContact CG-CD2 4.22Å; D305-L308 PolarHBondContact O-N 2.86Å; H306-L308 PolarHBondContact O-N 2.78Å; H306-L308 VanDerWaalsContact O-N 3.11Å; L308-Y312 WeakPolarHBondContact O-CD2 3.33Å; L308-Y589 HydrophobicContact CD1-CD1 4.41Å; L308-Y589 HydrophobicContact CD2-CD1 4.04Å; L308-Y589 HydrophobicContact CD2-CG 4.32Å
309	F	95.9	Very high	94.2	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-69.6	-34.7	176.1	-75.2	-94.7	0	0	0	111.9	V145 M192 W195 L196 A222 D305 H306 R311 Y312 I314 A316	V145-F309 HydrophobicContact CB-CE1 4.34Å; V145-F309 HydrophobicContact CB-CZ 4.49Å; V145-F309 HydrophobicContact CG1-CE1 4.33Å; V145-F309 HydrophobicContact CG1-CZ 4.04Å; V145-F309 HydrophobicContact CG2-CE1 4.28Å; M192-F309 HydrophobicContact CE-CE2 4.05Å; M192-F309 HydrophobicContact CE-CZ 4.31Å; M192-F309 HydrophobicContact CG-CE2 4.05Å; M192-F309 HydrophobicContact SD-CD2 4.46Å; M192-F309 HydrophobicContact SD-CE2 3.41Å; M192-F309 WeakPolarHBondContact SD-CE2 3.42Å; M192-F309 HydrophobicContact SD-CZ 3.57Å; M192-F309 VanDerWaalsContact SD-CZ 3.57Å; W195-F309 HydrophobicContact CZ3-CE1 4.19Å; W195-F309 HydrophobicContact CZ3-CZ 4.32Å; L196-F309 HydrophobicContact CD1-CD1 4.41Å; L196-F309 HydrophobicContact CD1-CD2 4.16Å; L196-F309 HydrophobicContact CD1-CE2 4.38Å; L196-F309 HydrophobicContact CD1-CG 4.19Å; L196-F309 HydrophobicContact CD2-CD1 3.74Å; L196-F309 HydrophobicContact CD2-CE1 3.66Å; L196-F309 HydrophobicContact CD2-CG 4.34Å; L196-F309 HydrophobicContact CD2-CZ 4.2Å; A222-F309 HydrophobicContact CB-CD1 3.69Å; A222-F309 HydrophobicContact CB-CD2 4.31Å; A222-F309 HydrophobicContact CB-CE1 3.57Å; A222-F309 HydrophobicContact CB-CE2 4.21Å; A222-F309 HydrophobicContact CB-CG 4.06Å; A222-F309 HydrophobicContact CB-CZ 3.85Å; D305-F309 WeakPolarHBondContact O-CD2 3.14Å; H306-F309 WeakPolarHBondContact O-CB 3.44Å; H306-F309 PolarHBondContact O-N 3.21Å; F309-R311 VanDerWaalsContact C-N 3.26Å; F309-R311 PolarHBondContact O-N 2.89Å; F309-Y312 PolarHBondContact O-N 2.82Å; F309-I314 CarbonylContact C-O 3.52Å; F309-I314 HydrophobicContact CB-CB 4.03Å; F309-I314 HydrophobicContact CB-CG2 4.16Å; F309-I314 HydrophobicContact CD1-CB 4.18Å; F309-I314 HydrophobicContact CD1-CD1 3.99Å; F309-I314 HydrophobicContact CD1-CG2 3.78Å; F309-I314 HydrophobicContact CG-CG2 4.4Å; F309-I314 PolarHBondContact O-N 2.91Å; F309-A316 HydrophobicContact CB-CB 3.63Å; F309-A316 HydrophobicContact CD2-CB 4.26Å; F309-A316 HydrophobicContact CG-CB 4.01Å
310	L	94.3	Very high	94.2	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.063	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59.2	-34.4	-175.5	-58	-175.7	0	0	0	113	Q245 P247 Y312 H313	Q245-L310 HydrophobicContact CB-CB 4.14Å; Q245-L310 HydrophobicContact CB-CD1 3.81Å; Q245-L310 WeakPolarHBondContact O-CD1 3.41Å; Q245-L310 VanDerWaalsContact OE1-C 3.3Å; P247-L310 HydrophobicContact CB-CD2 3.93Å; L310-Y312 PolarHBondContact O-N 3.19Å; L310-H313 PolarHBondContact O-N 2.92Å
311	R	91.9	Very high	94.3	Very high	62 Å²	62	25.3 Å²	25.3	23%	0.234	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-60.4	-27.1	175.1	179.7	178.3	55.4	-151.7	-23.8	113	Q193 F309 H313 Y589	Q193-R311 VanDerWaalsContact CD-NH2 3.27Å; F309-R311 VanDerWaalsContact C-N 3.26Å; F309-R311 PolarHBondContact O-N 2.89Å; R311-H313 VanDerWaalsContact C-N 3.31Å; R311-Y589 PolarHBondContact NH1-O 3.03Å
312	Y	93.1	Very high	94.3	Very high	31 Å²	31	21.4 Å²	21.4	12%	0.122	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-93.5	12.1	177.6	-60.4	-78.9	0	0	0	112.7	L196 E197 H200 T202 L308 F309 L310 I314	L196-Y312 HydrophobicContact CB-CD2 4.31Å; L196-Y312 HydrophobicContact CB-CE2 3.65Å; L196-Y312 HydrophobicContact CD1-CD2 4.28Å; L196-Y312 HydrophobicContact CD1-CE2 4.09Å; L196-Y312 HydrophobicContact CD2-CD2 4.36Å; L196-Y312 HydrophobicContact CG-CE2 4.31Å; E197-Y312 WeakPolarHBondContact CG-OH 3.33Å; H200-Y312 HydrophobicContact CB-CD1 4.01Å; H200-Y312 HydrophobicContact CB-CE1 3.77Å; H200-Y312 AromaticContact CD2-CD1 3.55Å; H200-Y312 AromaticContact CD2-CE1 3.84Å; H200-Y312 AromaticContact CD2-CG 3.76Å; H200-Y312 AromaticContact CG-CD1 3.59Å; H200-Y312 AromaticContact CG-CE1 3.82Å; H200-Y312 AromaticContact NE2-CG 3.87Å; T202-Y312 PolarHBondContact OG1-OH 3.22Å; L308-Y312 WeakPolarHBondContact O-CD2 3.33Å; F309-Y312 PolarHBondContact O-N 2.82Å; L310-Y312 PolarHBondContact O-N 3.19Å; Y312-I314 PolarHBondContact O-N 3.46Å
313	H	91.6	Very high	94.2	Very high	139 Å²	139	24.3 Å²	24.3	64%	0.644	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	38.6	-173.3	-56.5	-69.5	0	0	0	112.4	L310 R311	L310-H313 PolarHBondContact O-N 2.92Å; R311-H313 VanDerWaalsContact C-N 3.31Å
314	I	95	Very high	93.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	13%	0.132	C	C	.	.			trans	-104.8	117.9	171.6	-62	164.2	0	0	0	107	I219 A222 F309 Y312 A316	I219-I314 HydrophobicContact CB-CD1 3.73Å; I219-I314 HydrophobicContact CB-CG1 4.16Å; I219-I314 HydrophobicContact CB-CG2 4.42Å; I219-I314 HydrophobicContact CD1-CD1 4.03Å; I219-I314 HydrophobicContact CG1-CD1 4.47Å; I219-I314 HydrophobicContact CG2-CD1 3.96Å; I219-I314 HydrophobicContact CG2-CG1 4.25Å; I219-I314 HydrophobicContact CG2-CG2 3.59Å; A222-I314 HydrophobicContact CB-CG2 4.34Å; F309-I314 CarbonylContact C-O 3.52Å; F309-I314 HydrophobicContact CB-CB 4.03Å; F309-I314 HydrophobicContact CB-CG2 4.16Å; F309-I314 HydrophobicContact CD1-CB 4.18Å; F309-I314 HydrophobicContact CD1-CD1 3.99Å; F309-I314 HydrophobicContact CD1-CG2 3.78Å; F309-I314 HydrophobicContact CG-CG2 4.4Å; F309-I314 PolarHBondContact O-N 2.91Å; Y312-I314 PolarHBondContact O-N 3.46Å; I314-A316 PolarHBondContact O-N 3.31Å
315	E	94.8	Very high	93.4	Very high	17 Å²	17	28.1 Å²	28.1	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.1	178.4	-57.4	-46.1	135.6	0	0	110.4	A221 A222 P247 N248 L353	A221-E315 CarbonylContact C-O 3.45Å; A221-E315 WeakPolarHBondContact CA-O 3.49Å; A221-E315 WeakPolarHBondContact CB-O 3.15Å; A222-E315 PolarHBondContact N-O 3.06Å; P247-E315 VanDerWaalsContact CA-OE2 3.31Å; P247-E315 WeakPolarHBondContact CA-OE2 3.36Å; N248-E315 HydrophobicContact CB-CG 4.05Å; N248-E315 PolarHBondContact N-OE2 3.2Å; E315-L353 HydrophobicContact CB-CD1 3.83Å; E315-L353 HydrophobicContact CG-CB 3.6Å; E315-L353 HydrophobicContact CG-CD1 3.81Å; E315-L353 HydrophobicContact CG-CG 4.34Å
316	A	96.3	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.9	-174.3	0	0	0	0	0	113	A222 P247 L251 H306 F309 I314	A222-A316 HydrophobicContact CB-CB 3.82Å; A222-A316 WeakPolarHBondContact O-CA 3.37Å; A222-A316 WeakPolarHBondContact O-CB 3.21Å; P247-A316 WeakPolarHBondContact CB-O 3.45Å; P247-A316 WeakPolarHBondContact CG-O 3.44Å; L251-A316 VanDerWaalsContact CD2-C 3.49Å; H306-A316 HydrophobicContact CB-CB 3.68Å; H306-A316 PolarHBondContact CD2-O 3.01Å; F309-A316 HydrophobicContact CB-CB 3.63Å; F309-A316 HydrophobicContact CD2-CB 4.26Å; F309-A316 HydrophobicContact CG-CB 4.01Å; I314-A316 PolarHBondContact O-N 3.31Å
317	A	97.1	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.9	173.6	0	0	0	0	0	110.8	A222 L223 S224 I237 L239 L251 H306	A222-A317 PolarHBondContact O-N 3.06Å; L223-A317 WeakPolarHBondContact CA-O 3.31Å; L223-A317 HydrophobicContact CD2-CB 4.43Å; S224-A317 PolarHBondContact N-O 3.43Å; I237-A317 HydrophobicContact CD1-CB 4.12Å; I237-A317 HydrophobicContact CG1-CB 4.19Å; L239-A317 HydrophobicContact CD2-CB 4.1Å; L251-A317 HydrophobicContact CD2-CB 3.7Å; L251-A317 HydrophobicContact CG-CB 4.18Å; H306-A317 VanDerWaalsContact CB-C 3.5Å
318	T	97.3	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.9	170.3	-66.7	0	0	0	0	109.4	S224 E226 I238 H306	S224-T318 CarbonylContact O-C 3.49Å; S224-T318 WeakPolarHBondContact O-CA 3.26Å; E226-T318 HydrophobicContact CB-CG2 4.22Å; E226-T318 HydrophobicContact CG-CG2 3.79Å; I238-T318 HydrophobicContact CD1-CG2 4.17Å; I238-T318 PolarHBondContact N-O 2.83Å; I238-T318 PolarHBondContact O-N 3.5Å; I238-T318 VanDerWaalsContact O-N 3.15Å; H306-T318 WeakPolarHBondContact ND1-CB 3.47Å; H306-T318 PolarHBondContact ND1-N 3.05Å; H306-T318 PolarHBondContact ND1-OG1 3.28Å
319	I	97.4	Very high	91.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.9	171.6	-61.4	165.8	0	0	0	107.8	S224 L225 E226 L235 F255 L338 L339 M342	S224-I319 PolarHBondContact O-N 3.42Å; L225-I319 HydrophobicContact CD2-CB 4.21Å; E226-I319 PolarHBondContact N-O 2.78Å; L235-I319 HydrophobicContact CB-CG2 4.27Å; L235-I319 HydrophobicContact CD1-CG2 4.31Å; L235-I319 HydrophobicContact CD2-CG2 4.24Å; F255-I319 HydrophobicContact CD2-CD1 4.04Å; F255-I319 HydrophobicContact CD2-CG1 4.1Å; F255-I319 HydrophobicContact CE2-CD1 4.34Å; F255-I319 HydrophobicContact CE2-CG1 4.15Å; F255-I319 HydrophobicContact CE2-CG2 3.96Å; I319-L338 HydrophobicContact CD1-CD2 4.37Å; I319-L339 HydrophobicContact CD1-CD2 3.54Å; I319-M342 HydrophobicContact CD1-CE 4.17Å; I319-M342 HydrophobicContact CD1-SD 3.81Å
320	K	95.7	Very high	90.8	Very high	82 Å²	82	61.2 Å²	61.2	36%	0.357	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.1	-176.4	-177.6	171.3	179.6	173.9	0	111.4	E226 L235 D236 I238	E226-K320 HydrophobicContact CB-CB 4.2Å; E226-K320 HydrophobicContact CB-CG 4.12Å; E226-K320 CarbonylContact O-C 3.59Å; E226-K320 VanDerWaalsContact O-CA 3.28Å; E226-K320 WeakPolarHBondContact O-CA 3.25Å; L235-K320 CarbonylContact C-O 3.55Å; L235-K320 WeakPolarHBondContact CA-O 3.45Å; D236-K320 HydrophobicContact CB-CB 4.39Å; D236-K320 PolarHBondContact N-O 3.44Å; D236-K320 PolarHBondContact O-N 3.48Å; I238-K320 HydrophobicContact CD1-CB 3.98Å; I238-K320 HydrophobicContact CD1-CD 3.84Å; I238-K320 HydrophobicContact CG1-CB 4.46Å
321	G	94.3	Very high	90.6	Very high	12 Å²	12	65.2 Å²	65.2	12%	0.124	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.4	173.4	0	0	0	0	0	111.2	E226	E226-G321 PolarHBondContact O-N 3.09Å
322	I	91.6	Very high	90.7	Very high	22 Å²	22	62.7 Å²	62.7	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.6	178.2	-68.2	-172.6	0	0	0	110.4	T233 S234 D236 S324 F325	T233-I322 PolarHBondContact N-O 2.93Å; T233-I322 PolarHBondContact OG1-O 2.87Å; S234-I322 PolarHBondContact N-O 2.9Å; S234-I322 PolarHBondContact O-N 3.16Å; D236-I322 HydrophobicContact CB-CD1 3.52Å; D236-I322 HydrophobicContact CB-CG1 4Å; I322-S324 WeakPolarHBondContact CG2-OG 3.43Å; I322-F325 HydrophobicContact CG2-CD2 4.42Å; I322-F325 HydrophobicContact CG2-CE2 4.28Å
323	N	89.7	Confident	90.7	Very high	64 Å²	64	62.7 Å²	62.7	34%	0.342	30%	0.296	S	S	.	.			trans	-119.5	43.5	176.3	-167.9	2.6	0	0	0	112.6	S229 V231 T233	S229-N323 PolarHBondContact OG-ND2 3.3Å; V231-N323 WeakPolarHBondContact O-CB 3.46Å; V231-N323 VanDerWaalsContact O-CG 3.25Å; V231-N323 PolarHBondContact O-ND2 2.98Å; T233-N323 WeakPolarHBondContact CG2-OD1 3.29Å; T233-N323 WeakPolarHBondContact OG1-CA 3.3Å
324	S	84.6	Confident	90.8	Very high	90 Å²	90	57.5 Å²	57.5	63%	0.629	28%	0.275	S	S	*	.			trans	-99.6	-29	-179.6	-56.2	0	0	0	0	112.3	T233 I322 R326	T233-S324 PolarHBondContact OG1-N 2.84Å; I322-S324 WeakPolarHBondContact CG2-OG 3.43Å; S324-R326 PolarHBondContact O-N 3.15Å
325	F	83.9	Confident	90.8	Very high	53 Å²	53	57.5 Å²	57.5	23%	0.232	28%	0.275	C	S	.	.			trans	-98.7	67.8	-173.6	-53.4	-75.3	0	0	0	111.7	T233 S234 L265 T267 L272 I322 Q327 Y328	T233-F325 VanDerWaalsContact CB-O 3.32Å; T233-F325 WeakPolarHBondContact CB-O 3.37Å; T233-F325 WeakPolarHBondContact CG2-O 3.29Å; T233-F325 PolarHBondContact OG1-N 3.24Å; T233-F325 VanDerWaalsContact OG1-N 3.15Å; S234-F325 VanDerWaalsContact OG-CD2 3.29Å; S234-F325 WeakPolarHBondContact OG-CD2 3.29Å; L265-F325 HydrophobicContact CD2-CB 4.28Å; L265-F325 HydrophobicContact CD2-CD2 4.32Å; L265-F325 HydrophobicContact CD2-CG 4.31Å; T267-F325 HydrophobicContact CG2-CE2 3.94Å; T267-F325 HydrophobicContact CG2-CZ 4.37Å; L272-F325 HydrophobicContact CD1-CD1 3.67Å; L272-F325 HydrophobicContact CD1-CE1 3.31Å; L272-F325 HydrophobicContact CD1-CE2 4.37Å; L272-F325 HydrophobicContact CD1-CG 4.34Å; L272-F325 HydrophobicContact CD1-CZ 3.71Å; L272-F325 HydrophobicContact CD2-CE2 4.2Å; L272-F325 HydrophobicContact CD2-CZ 4.19Å; L272-F325 HydrophobicContact CG-CD1 4.4Å; L272-F325 HydrophobicContact CG-CE1 3.74Å; L272-F325 HydrophobicContact CG-CE2 4.08Å; L272-F325 HydrophobicContact CG-CZ 3.55Å; I322-F325 HydrophobicContact CG2-CD2 4.42Å; I322-F325 HydrophobicContact CG2-CE2 4.28Å; F325-Q327 PolarHBondContact O-N 3.39Å; F325-Y328 HydrophobicContact CB-CD2 4.07Å; F325-Y328 PolarHBondContact O-N 2.94Å
326	R	78.9	Confident	90.9	Very high	225 Å²	225	56.7 Å²	56.7	85%	0.849	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-18.4	-171.5	-64.7	-174.6	-178.9	178.5	1.8	116	S324 Y328	S324-R326 PolarHBondContact O-N 3.15Å; R326-Y328 PolarHBondContact O-N 3.41Å
327	Q	80.3	Confident	90.9	Very high	180 Å²	180	61.6 Å²	61.6	84%	0.841	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.1	174.7	-66.7	175.8	-14.5	0	0	112.7	F325	F325-Q327 PolarHBondContact O-N 3.39Å
328	Y	82.9	Confident	90.8	Very high	123 Å²	123	61.6 Å²	61.6	48%	0.482	29%	0.289	S	S	.	.			trans	-108.9	142.1	-179.7	-58.9	-84.9	0	0	0	109.8	T233 L265 F325 R326	T233-Y328 WeakPolarHBondContact CB-O 3.43Å; T233-Y328 WeakPolarHBondContact CG2-O 3.21Å; L265-Y328 HydrophobicContact CD2-CD2 3.75Å; L265-Y328 HydrophobicContact CD2-CE2 4.16Å; L265-Y328 HydrophobicContact CD2-CG 3.99Å; F325-Y328 HydrophobicContact CB-CD2 4.07Å; F325-Y328 PolarHBondContact O-N 2.94Å; R326-Y328 PolarHBondContact O-N 3.41Å
329	K	87.8	Confident	90.7	Very high	154 Å²	154	61.6 Å²	61.6	67%	0.67	29%	0.289	S	S	*	.			trans	-133.1	124.7	172.7	-174.4	177.3	175.8	-173	0	108.5	V231	V231-K329 HydrophobicContact CG1-CG 4.38Å
330	T	88.8	Confident	90.7	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-108	123.6	176.7	-57.2	0	0	0	0	108.7	I232 T233 V264 T334 V335	I232-T330 PolarHBondContact O-N 3.38Å; T233-T330 PolarHBondContact O-OG1 2.94Å; V264-T330 HydrophobicContact CG1-CG2 4.01Å; V264-T330 HydrophobicContact CG2-CG2 4.12Å; T330-T334 HydrophobicContact CG2-CG2 4.2Å; T330-V335 HydrophobicContact CG2-CG2 3.94Å
331	D	90.4	Very high	90.6	Very high	96 Å²	96	57.7 Å²	57.7	51%	0.513	27%	0.272	S	S	.	.			trans	-74	147.7	176.4	-64.7	-30.2	0	0	0	111.3	T333 T334 V335	D331-T333 PolarHBondContact O-N 3.26Å; D331-T334 WeakPolarHBondContact O-CA 3.36Å; D331-T334 WeakPolarHBondContact O-CB 3.34Å; D331-T334 PolarHBondContact O-N 3.03Å; D331-V335 PolarHBondContact O-N 3.04Å; D331-V335 VanDerWaalsContact O-N 3.17Å
332	I	92.5	Very high	90.6	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-26	178.6	-79.2	165	0	0	0	112.3	A70 L71 L162 I232 T334 V335 G336	A70-I332 HydrophobicContact CB-CG2 4.19Å; L71-I332 HydrophobicContact CD1-CD1 3.8Å; L71-I332 HydrophobicContact CD2-CD1 3.13Å; L71-I332 HydrophobicContact CG-CB 4.45Å; L71-I332 HydrophobicContact CG-CD1 3.28Å; L71-I332 HydrophobicContact CG-CG1 4.41Å; L162-I332 HydrophobicContact CD1-CG2 3.85Å; L162-I332 HydrophobicContact CD2-CG2 4.48Å; I232-I332 HydrophobicContact CD1-CD1 4.36Å; I232-I332 HydrophobicContact CD1-CG1 3.88Å; I332-T334 PolarHBondContact O-N 3.46Å; I332-V335 PolarHBondContact O-N 3.16Å; I332-G336 PolarHBondContact O-N 3.22Å
333	T	94.5	Very high	90.8	Very high	30 Å²	30	56.1 Å²	56.1	18%	0.184	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-41.3	169.1	-53.2	0	0	0	0	110.8	F64 G67 D331 G336 R337	F64-T333 HydrophobicContact CD1-CG2 4.39Å; F64-T333 WeakPolarHBondContact O-CG2 3.47Å; G67-T333 VanDerWaalsContact CA-OG1 3.29Å; G67-T333 WeakPolarHBondContact CA-OG1 3.45Å; G67-T333 PolarHBondContact N-OG1 3.39Å; D331-T333 PolarHBondContact O-N 3.26Å; T333-G336 PolarHBondContact O-N 2.6Å; T333-R337 WeakPolarHBondContact O-CG 3.49Å; T333-R337 PolarHBondContact O-N 3.48Å
334	T	93.9	Very high	91	Very high	31 Å²	31	56 Å²	56	19%	0.19	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-42.1	178.9	-50.6	0	0	0	0	111.4	I262 V264 T330 D331 I332 R337 L338	I262-T334 HydrophobicContact CG2-CG2 3.25Å; V264-T334 HydrophobicContact CG2-CG2 3.45Å; V264-T334 VanDerWaalsContact CG2-CG2 3.45Å; T330-T334 HydrophobicContact CG2-CG2 4.2Å; D331-T334 WeakPolarHBondContact O-CA 3.36Å; D331-T334 WeakPolarHBondContact O-CB 3.34Å; D331-T334 PolarHBondContact O-N 3.03Å; I332-T334 PolarHBondContact O-N 3.46Å; T334-R337 PolarHBondContact O-N 3Å; T334-L338 PolarHBondContact O-N 3.39Å
335	V	95	Very high	91.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-43.3	173.3	-175	0	0	0	0	110.9	L162 I232 L235 T330 D331 I332 R337 L338 L339	L162-V335 HydrophobicContact CD2-CB 4.21Å; L162-V335 HydrophobicContact CD2-CG1 3.72Å; I232-V335 HydrophobicContact CD1-CG2 4.16Å; L235-V335 HydrophobicContact CD1-CG1 4.19Å; L235-V335 HydrophobicContact CD1-CG2 4.33Å; L235-V335 HydrophobicContact CD2-CG1 4.26Å; L235-V335 HydrophobicContact CD2-CG2 4.2Å; T330-V335 HydrophobicContact CG2-CG2 3.94Å; D331-V335 PolarHBondContact O-N 3.04Å; D331-V335 VanDerWaalsContact O-N 3.17Å; I332-V335 PolarHBondContact O-N 3.16Å; V335-R337 PolarHBondContact O-N 2.86Å; V335-L338 WeakPolarHBondContact O-CB 3.31Å; V335-L338 PolarHBondContact O-N 3.26Å; V335-L339 HydrophobicContact CG1-CD1 4.31Å; V335-L339 WeakPolarHBondContact O-CG 3.29Å; V335-L339 PolarHBondContact O-N 3.2Å
336	G	95.8	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-37.4	176.5	0	0	0	0	0	113.3	I332 T333 L339 E340	I332-G336 PolarHBondContact O-N 3.22Å; T333-G336 PolarHBondContact O-N 2.6Å; G336-L339 PolarHBondContact O-N 3.33Å; G336-E340 WeakPolarHBondContact O-CB 3.41Å; G336-E340 PolarHBondContact O-N 3.48Å
337	R	95.6	Very high	92.5	Very high	103 Å²	103	39.5 Å²	39.5	39%	0.389	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-43.2	171.6	-73.6	177.7	-171.5	171.1	-0.6	111.5	E62 F64 I262 T333 T334 V335 L339 E340 G341	E62-R337 HydrophobicContact CB-CB 3.81Å; E62-R337 HydrophobicContact CB-CG 4.02Å; E62-R337 HydrophobicContact CG-CB 4.48Å; E62-R337 VanDerWaalsContact CG-O 3.29Å; E62-R337 WeakPolarHBondContact CG-O 3.28Å; F64-R337 HydrophobicContact CB-CG 3.95Å; F64-R337 PolarHBondContact O-NE 3.16Å; I262-R337 HydrophobicContact CD1-CB 4.23Å; T333-R337 WeakPolarHBondContact O-CG 3.49Å; T333-R337 PolarHBondContact O-N 3.48Å; T334-R337 PolarHBondContact O-N 3Å; V335-R337 PolarHBondContact O-N 2.86Å; R337-L339 VanDerWaalsContact C-N 3.34Å; R337-L339 PolarHBondContact O-N 3.34Å; R337-E340 WeakPolarHBondContact O-CB 3.3Å; R337-E340 PolarHBondContact O-N 3.23Å; R337-G341 PolarHBondContact O-N 3.14Å
338	L	95.6	Very high	92.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-47.8	176.3	-180	146.2	0	0	0	111.6	L235 F255 F258 C259 I262 I319 T334 V335 G341 M342	L235-L338 HydrophobicContact CD1-CD1 4.03Å; L235-L338 HydrophobicContact CD1-CD2 4.41Å; F255-L338 HydrophobicContact CD2-CD2 4.23Å; F255-L338 HydrophobicContact CE2-CD2 4.37Å; F258-L338 HydrophobicContact CB-CD1 4.33Å; F258-L338 HydrophobicContact CB-CG 4.08Å; C259-L338 HydrophobicContact CB-CD1 4.42Å; C259-L338 WeakPolarHBondContact SG-CD1 3.11Å; I262-L338 HydrophobicContact CD1-CB 3.73Å; I262-L338 HydrophobicContact CD1-CG 4.47Å; I319-L338 HydrophobicContact CD1-CD2 4.37Å; T334-L338 PolarHBondContact O-N 3.39Å; V335-L338 WeakPolarHBondContact O-CB 3.31Å; V335-L338 PolarHBondContact O-N 3.26Å; L338-G341 PolarHBondContact O-N 2.78Å; L338-M342 HydrophobicContact CD2-CG 4.4Å; L338-M342 HydrophobicContact CD2-SD 3.59Å; L338-M342 VanDerWaalsContact CD2-SD 3.59Å; L338-M342 HydrophobicContact CG-SD 4.49Å; L338-M342 WeakPolarHBondContact O-CG 3.24Å; L338-M342 PolarHBondContact O-N 3.16Å
339	L	96.4	Very high	93.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-40.9	178.2	-65	172.4	0	0	0	112.1	L162 L166 L225 I319 V335 G336 R337 G341 M342 F343	L162-L339 HydrophobicContact CD2-CD1 3.77Å; L162-L339 HydrophobicContact CG-CD1 4.34Å; L166-L339 HydrophobicContact CD1-CB 3.89Å; L166-L339 HydrophobicContact CD1-CD1 3.68Å; L166-L339 HydrophobicContact CD1-CG 4.47Å; L225-L339 HydrophobicContact CD1-CD1 3.64Å; L225-L339 HydrophobicContact CD2-CD1 3.57Å; L225-L339 HydrophobicContact CD2-CD2 3.68Å; L225-L339 HydrophobicContact CD2-CG 4.27Å; L225-L339 HydrophobicContact CG-CD1 4.25Å; I319-L339 HydrophobicContact CD1-CD2 3.54Å; V335-L339 HydrophobicContact CG1-CD1 4.31Å; V335-L339 WeakPolarHBondContact O-CG 3.29Å; V335-L339 PolarHBondContact O-N 3.2Å; G336-L339 PolarHBondContact O-N 3.33Å; R337-L339 VanDerWaalsContact C-N 3.34Å; R337-L339 PolarHBondContact O-N 3.34Å; L339-G341 VanDerWaalsContact C-N 3.33Å; L339-G341 PolarHBondContact O-N 2.97Å; L339-M342 PolarHBondContact O-N 2.95Å; L339-F343 WeakPolarHBondContact O-CB 3.4Å; L339-F343 WeakPolarHBondContact O-CD2 3.29Å; L339-F343 PolarHBondContact O-N 2.84Å
340	E	95.5	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.2	-49.1	171.4	178	-170.9	-179.9	0	0	111.1	R63 F64 Y169 F170 G336 R337 M342 F343 R344	R63-E340 PolarHBondContact N-OE1 2.79Å; R63-E340 PolarHBondContact N-OE2 3.22Å; F64-E340 WeakPolarHBondContact CB-OE2 3.27Å; F64-E340 PolarHBondContact N-OE2 3.04Å; Y169-E340 HydrophobicContact CE1-CG 3.97Å; Y169-E340 WeakPolarHBondContact CE1-OE1 3.32Å; Y169-E340 PolarHBondContact OH-OE1 3.25Å; F170-E340 HydrophobicContact CE1-CB 4.22Å; F170-E340 HydrophobicContact CE1-CG 4.29Å; G336-E340 WeakPolarHBondContact O-CB 3.41Å; G336-E340 PolarHBondContact O-N 3.48Å; R337-E340 WeakPolarHBondContact O-CB 3.3Å; R337-E340 PolarHBondContact O-N 3.23Å; E340-M342 PolarHBondContact O-N 3.38Å; E340-F343 PolarHBondContact O-N 3.32Å; E340-R344 HydrophobicContact CG-CG 4.48Å; E340-R344 WeakPolarHBondContact O-CB 3.35Å; E340-R344 VanDerWaalsContact O-CG 3.29Å; E340-R344 WeakPolarHBondContact O-CG 3.49Å; E340-R344 PolarHBondContact O-N 3.4Å
341	G	94.5	Very high	92.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-49.2	178.5	0	0	0	0	0	112.1	F258 R337 L338 L339 R344 K345	F258-G341 VanDerWaalsContact CE2-C 3.4Å; F258-G341 WeakPolarHBondContact CE2-O 3.31Å; F258-G341 VanDerWaalsContact CZ-O 3.27Å; F258-G341 WeakPolarHBondContact CZ-O 3.39Å; R337-G341 PolarHBondContact O-N 3.14Å; L338-G341 PolarHBondContact O-N 2.78Å; L339-G341 VanDerWaalsContact C-N 3.33Å; L339-G341 PolarHBondContact O-N 2.97Å; G341-R344 PolarHBondContact O-N 2.7Å; G341-K345 PolarHBondContact O-N 2.95Å
342	M	95.2	Very high	92.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-49	177.1	-68.3	-179.3	74.2	0	0	111.8	L223 L254 F255 F258 I319 L338 L339 E340 R344 K345 L346	L223-M342 HydrophobicContact CD1-CB 4.04Å; L223-M342 HydrophobicContact CD1-CE 3.87Å; L223-M342 HydrophobicContact CD1-SD 4.26Å; L223-M342 HydrophobicContact CD2-CE 3.95Å; L254-M342 HydrophobicContact CD2-CB 4.3Å; L254-M342 HydrophobicContact CD2-CE 4.45Å; L254-M342 HydrophobicContact CD2-CG 4.39Å; L254-M342 HydrophobicContact CG-CG 4.3Å; F255-M342 HydrophobicContact CB-CE 3.85Å; F255-M342 HydrophobicContact CB-SD 4.28Å; F255-M342 HydrophobicContact CD2-SD 4.17Å; F258-M342 HydrophobicContact CD2-CG 3.7Å; F258-M342 HydrophobicContact CE2-CG 4.28Å; F258-M342 HydrophobicContact CG-CG 4.38Å; I319-M342 HydrophobicContact CD1-CE 4.17Å; I319-M342 HydrophobicContact CD1-SD 3.81Å; L338-M342 HydrophobicContact CD2-CG 4.4Å; L338-M342 HydrophobicContact CD2-SD 3.59Å; L338-M342 VanDerWaalsContact CD2-SD 3.59Å; L338-M342 HydrophobicContact CG-SD 4.49Å; L338-M342 WeakPolarHBondContact O-CG 3.24Å; L338-M342 PolarHBondContact O-N 3.16Å; L339-M342 PolarHBondContact O-N 2.95Å; E340-M342 PolarHBondContact O-N 3.38Å; M342-R344 VanDerWaalsContact C-N 3.3Å; M342-R344 PolarHBondContact O-N 3.45Å; M342-K345 PolarHBondContact O-N 3.18Å; M342-L346 WeakPolarHBondContact O-CG 3.24Å; M342-L346 PolarHBondContact O-N 2.85Å
343	F	94.9	Very high	91.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-37	177.8	-93.4	-95.9	0	0	0	112.4	L144 L146 F170 W176 I180 L223 L339 E340 K345 L346 N347	L144-F343 HydrophobicContact CB-CD1 4.2Å; L144-F343 HydrophobicContact CB-CE1 3.8Å; L144-F343 HydrophobicContact CD1-CD1 3.87Å; L144-F343 HydrophobicContact CD1-CE1 4.31Å; L146-F343 HydrophobicContact CB-CE1 4.38Å; L146-F343 HydrophobicContact CB-CE2 4.19Å; L146-F343 HydrophobicContact CB-CZ 3.6Å; L146-F343 HydrophobicContact CD1-CE2 3.72Å; L146-F343 HydrophobicContact CD1-CZ 3.96Å; L146-F343 HydrophobicContact CG-CE2 4.36Å; L146-F343 HydrophobicContact CG-CZ 4.26Å; F170-F343 HydrophobicContact CE2-CB 4.03Å; F170-F343 HydrophobicContact CE2-CD1 4.01Å; F170-F343 HydrophobicContact CE2-CD2 4.44Å; F170-F343 AromaticContact CE2-CG 3.89Å; F170-F343 HydrophobicContact CE2-CG 3.89Å; F170-F343 HydrophobicContact CZ-CB 3.97Å; F170-F343 HydrophobicContact CZ-CG 4.16Å; W176-F343 HydrophobicContact CH2-CB 4.02Å; W176-F343 HydrophobicContact CZ3-CB 4.04Å; I180-F343 HydrophobicContact CD1-CD1 4.36Å; I180-F343 HydrophobicContact CG2-CD1 4.44Å; I180-F343 HydrophobicContact CG2-CE1 4.03Å; L223-F343 HydrophobicContact CB-CE2 4.12Å; L223-F343 HydrophobicContact CB-CZ 4.46Å; L223-F343 HydrophobicContact CD1-CD2 4.01Å; L223-F343 HydrophobicContact CD1-CE2 3.69Å; L223-F343 HydrophobicContact CG-CE2 4.28Å; L339-F343 WeakPolarHBondContact O-CB 3.4Å; L339-F343 WeakPolarHBondContact O-CD2 3.29Å; L339-F343 PolarHBondContact O-N 2.84Å; E340-F343 PolarHBondContact O-N 3.32Å; F343-K345 PolarHBondContact O-N 2.87Å; F343-L346 PolarHBondContact O-N 3.31Å; F343-N347 WeakPolarHBondContact O-CB 3.48Å; F343-N347 PolarHBondContact O-N 3.01Å
344	R	93.4	Very high	90.7	Very high	61 Å²	61	36.8 Å²	36.8	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-31.1	175.1	-76.6	-173.5	69.9	179.1	1.8	112.3	V60 E61 F175 W176 E340 G341 M342 N348	V60-R344 HydrophobicContact CG1-CB 4.01Å; V60-R344 VanDerWaalsContact CG1-CD 3.41Å; V60-R344 HydrophobicContact CG1-CG 4.28Å; V60-R344 VanDerWaalsContact CG1-CZ 3.46Å; V60-R344 HydrophobicContact CG2-CB 4.46Å; E61-R344 PolarHBondContact O-NH1 3.49Å; F175-R344 HydrophobicContact CD2-CG 4.2Å; F175-R344 HydrophobicContact CE2-CG 3.51Å; F175-R344 HydrophobicContact CZ-CG 4.02Å; W176-R344 HydrophobicContact CH2-CG 4.07Å; W176-R344 HydrophobicContact CZ3-CG 4.13Å; E340-R344 HydrophobicContact CG-CG 4.48Å; E340-R344 WeakPolarHBondContact O-CB 3.35Å; E340-R344 VanDerWaalsContact O-CG 3.29Å; E340-R344 WeakPolarHBondContact O-CG 3.49Å; E340-R344 PolarHBondContact O-N 3.4Å; G341-R344 PolarHBondContact O-N 2.7Å; M342-R344 VanDerWaalsContact C-N 3.3Å; M342-R344 PolarHBondContact O-N 3.45Å; R344-N348 PolarHBondContact O-ND2 3.47Å
345	K	92.7	Very high	89.4	Confident	16 Å²	16	39.9 Å²	39.9	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-78.4	-45.9	174.7	-66.6	-50.1	-167.5	172.1	0	113.3	S57 V60 L254 F258 G341 M342 F343 N347 N348 L349	S57-K345 WeakPolarHBondContact O-CE 3.45Å; S57-K345 PolarHBondContact O-NZ 3.28Å; V60-K345 HydrophobicContact CG2-CD 4.18Å; L254-K345 HydrophobicContact CD1-CB 3.9Å; L254-K345 HydrophobicContact CD1-CG 3.95Å; L254-K345 HydrophobicContact CD2-CB 4.13Å; F258-K345 HydrophobicContact CE2-CG 3.82Å; F258-K345 HydrophobicContact CZ-CG 3.85Å; G341-K345 PolarHBondContact O-N 2.95Å; M342-K345 PolarHBondContact O-N 3.18Å; F343-K345 PolarHBondContact O-N 2.87Å; K345-N347 PolarHBondContact O-N 3.07Å; K345-N348 PolarHBondContact O-N 2.82Å; K345-L349 PolarHBondContact O-N 3.29Å
346	L	93.4	Very high	88.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-33.8	174.6	-63.5	175.6	0	0	0	111.9	M55 L144 A221 L223 L251 L254 M342 F343 N348 L349	M55-L346 HydrophobicContact CE-CD2 4.11Å; L144-L346 HydrophobicContact CD1-CB 3.96Å; L144-L346 HydrophobicContact CD2-CB 3.95Å; A221-L346 HydrophobicContact CB-CD1 4.07Å; A221-L346 HydrophobicContact CB-CD2 3.97Å; A221-L346 HydrophobicContact CB-CG 4.45Å; L223-L346 HydrophobicContact CD1-CD1 4.08Å; L223-L346 HydrophobicContact CG-CD1 4.25Å; L251-L346 HydrophobicContact CD1-CD1 4.41Å; L251-L346 HydrophobicContact CD1-CD2 4.11Å; L254-L346 HydrophobicContact CD2-CD2 4.18Å; L254-L346 HydrophobicContact CD2-CG 4.24Å; M342-L346 WeakPolarHBondContact O-CG 3.24Å; M342-L346 PolarHBondContact O-N 2.85Å; F343-L346 PolarHBondContact O-N 3.31Å; L346-N348 VanDerWaalsContact C-N 3.27Å; L346-N348 PolarHBondContact O-N 3.29Å; L346-L349 HydrophobicContact CD2-CD1 3.92Å; L346-L349 WeakPolarHBondContact O-CB 3.36Å; L346-L349 PolarHBondContact O-N 2.88Å
347	N	92.3	Very high	87.7	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-32.5	175.9	-179.7	77.2	0	0	0	113.1	L144 F175 W176 A177 K178 F343 K345 L349	L144-N347 HydrophobicContact CD1-CB 4.17Å; F175-N347 PolarHBondContact O-ND2 3.11Å; W176-N347 HydrophobicContact CE3-CB 4.06Å; W176-N347 HydrophobicContact CZ3-CB 4.24Å; A177-N347 PolarHBondContact N-ND2 2.9Å; A177-N347 PolarHBondContact N-OD1 3.23Å; K178-N347 PolarHBondContact N-OD1 3.43Å; K178-N347 VanDerWaalsContact N-OD1 3.09Å; K178-N347 PolarHBondContact NZ-O 3.22Å; F343-N347 WeakPolarHBondContact O-CB 3.48Å; F343-N347 PolarHBondContact O-N 3.01Å; K345-N347 PolarHBondContact O-N 3.07Å; N347-L349 VanDerWaalsContact C-N 3.34Å
348	N	90.3	Very high	87	Confident	83 Å²	83	42.7 Å²	42.7	44%	0.444	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.4	-178.1	-69.8	-9.3	0	0	0	113.7	R344 K345 L346 L350	R344-N348 PolarHBondContact O-ND2 3.47Å; K345-N348 PolarHBondContact O-N 2.82Å; L346-N348 VanDerWaalsContact C-N 3.27Å; L346-N348 PolarHBondContact O-N 3.29Å; N348-L350 PolarHBondContact O-N 3.03Å
349	L	87.7	Confident	86.6	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	22%	0.216	C	C	.	.			trans	-58.6	126.2	171.9	-75.3	173.8	0	0	0	109.9	E52 A54 M55 K178 K345 L346 N347 L353	E52-L349 HydrophobicContact CG-CD2 3.77Å; A54-L349 HydrophobicContact CB-CD2 4.35Å; M55-L349 HydrophobicContact CE-CD1 3.56Å; M55-L349 HydrophobicContact CE-CD2 3.18Å; M55-L349 HydrophobicContact CE-CG 3.65Å; M55-L349 HydrophobicContact CG-CD2 4.36Å; K178-L349 WeakPolarHBondContact CE-O 3.41Å; K178-L349 PolarHBondContact NZ-O 3.5Å; K345-L349 PolarHBondContact O-N 3.29Å; L346-L349 HydrophobicContact CD2-CD1 3.92Å; L346-L349 WeakPolarHBondContact O-CB 3.36Å; L346-L349 PolarHBondContact O-N 2.88Å; N347-L349 VanDerWaalsContact C-N 3.34Å; L349-L353 HydrophobicContact CD1-CG 4.19Å; L349-L353 HydrophobicContact CD2-CD2 4.48Å
350	L	81.2	Confident	86.5	Confident	158 Å²	158	47.2 Å²	47.2	83%	0.827	22%	0.216	S	C	*	.	S	Bend	trans	-86.6	-23	175.5	-63.3	177.8	0	0	0	112	N348	N348-L350 PolarHBondContact O-N 3.03Å
351	E	82.3	Confident	86.5	Confident	91 Å²	91	47.2 Å²	47.2	43%	0.425	22%	0.216	S	C	.	.	S	Bend	trans	-141.1	168.2	-177	58.7	-168.9	163.7	0	0	110.5	H354	E351-H354 IonicContact OE1-CE1 3.17Å; E351-H354 PolarHBondContact OE1-CE1 2.88Å; E351-H354 VanDerWaalsContact OE1-CE1 3.27Å; E351-H354 IonicContact OE2-CE1 2.85Å; E351-H354 PolarHBondContact OE2-CE1 3.49Å
352	R	83.1	Confident	86.5	Confident	118 Å²	118	47.2 Å²	47.2	45%	0.445	22%	0.216	S	C	.	.			trans	-61.3	144.6	173.4	-74.7	177.9	-172.3	-159.5	4.5	109.5	S218 H354	S218-R352 PolarHBondContact OG-NH2 3.23Å; R352-H354 PolarHBondContact O-N 2.98Å; R352-H354 VanDerWaalsContact O-N 3.16Å; R352-H354 PolarHBondContact O-ND1 2.72Å
353	L	80.9	Confident	86.4	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	22%	0.216	C	C	.	.	S	Bend	trans	-59.1	115.3	172.5	-87.6	172.1	0	0	0	110.6	E52 M55 N248 D250 E315 L349	E52-L353 HydrophobicContact CB-CD2 4.41Å; M55-L353 HydrophobicContact CE-CD1 3.95Å; M55-L353 HydrophobicContact CE-CD2 3.33Å; M55-L353 HydrophobicContact CE-CG 3.8Å; M55-L353 HydrophobicContact SD-CD2 4.47Å; N248-L353 HydrophobicContact CB-CB 4.07Å; N248-L353 HydrophobicContact CB-CD1 4.22Å; D250-L353 HydrophobicContact CB-CD2 4.24Å; E315-L353 HydrophobicContact CB-CD1 3.83Å; E315-L353 HydrophobicContact CG-CB 3.6Å; E315-L353 HydrophobicContact CG-CD1 3.81Å; E315-L353 HydrophobicContact CG-CG 4.34Å; L349-L353 HydrophobicContact CD1-CG 4.19Å; L349-L353 HydrophobicContact CD2-CD2 4.48Å
354	H	75.5	Confident	86.4	Confident	94 Å²	94	47.5 Å²	47.5	44%	0.435	22%	0.218	S	C	.	.			trans	-144.6	-12.4	-177.7	66.6	-76	0	0	0	114.5	E351 R352	E351-H354 IonicContact OE1-CE1 3.17Å; E351-H354 PolarHBondContact OE1-CE1 2.88Å; E351-H354 VanDerWaalsContact OE1-CE1 3.27Å; E351-H354 IonicContact OE2-CE1 2.85Å; E351-H354 PolarHBondContact OE2-CE1 3.49Å; R352-H354 PolarHBondContact O-N 2.98Å; R352-H354 VanDerWaalsContact O-N 3.16Å; R352-H354 PolarHBondContact O-ND1 2.72Å
355	Q	65.3	Low	86.3	Confident	96 Å²	96	44.6 Å²	44.6	45%	0.449	21%	0.207	S	C	.	.	S	Bend	trans	-81.1	-31	-173.7	-63.7	-174.1	1.5	0	0	113.7
356	S	78.1	Confident	86.3	Confident	11 Å²	11	44.5 Å²	44.5	8%	0.077	21%	0.209	C	C	.	.	S	Bend	trans	-84.9	179.2	-179	-143.3	0	0	0	0	114.2	S51 N248 D250	S51-S356 WeakPolarHBondContact OG-CA 3.32Å; S51-S356 VanDerWaalsContact OG-CB 3.22Å; S51-S356 WeakPolarHBondContact OG-CB 3.29Å; S51-S356 PolarHBondContact OG-N 2.96Å; S51-S356 PolarHBondContact OG-OG 2.91Å; N248-S356 WeakPolarHBondContact OD1-CB 3.38Å; D250-S356 VanDerWaalsContact OD1-CB 3.25Å; D250-S356 WeakPolarHBondContact OD1-CB 3.31Å; D250-S356 PolarHBondContact OD1-OG 3.04Å
357	Y	78.6	Confident	86.2	Confident	80 Å²	80	45.1 Å²	45.1	31%	0.314	21%	0.211	S	C	.	.			trans	-73.4	139	179.8	-63.7	-88.5	0	0	0	112.7	L249 Y360 F368	L249-Y357 HydrophobicContact CD2-CD2 4.35Å; L249-Y357 PolarHBondContact N-O 3Å; Y357-Y360 WeakPolarHBondContact O-CE1 3.33Å; Y357-F368 AromaticContact CD2-CE2 3.63Å; Y357-F368 HydrophobicContact CD2-CE2 3.63Å; Y357-F368 AromaticContact CD2-CZ 3.84Å; Y357-F368 HydrophobicContact CD2-CZ 3.84Å; Y357-F368 AromaticContact CE2-CE2 3.81Å; Y357-F368 HydrophobicContact CE2-CE2 3.81Å; Y357-F368 AromaticContact CE2-CZ 3.73Å; Y357-F368 HydrophobicContact CE2-CZ 3.73Å; Y357-F368 HydrophobicContact CG-CE2 4.11Å
358	F	79.9	Confident	86.3	Confident	73 Å²	73	44.9 Å²	44.9	32%	0.32	21%	0.21	S	C	.	.	S	Bend	trans	-105	-9.6	170.6	-65.1	-84.5	0	0	0	113	N248	N248-F358 HydrophobicContact CB-CD1 4.46Å; N248-F358 HydrophobicContact CB-CE1 3.95Å; N248-F358 HydrophobicContact CB-CZ 4.39Å
359	F	88	Confident	86.6	Confident	93 Å²	93	41 Å²	41	41%	0.408	19%	0.189	S	C	.	.	S	Bend	trans	-129.9	95.4	-173.1	-71.6	-65.1	0	0	0	108.4	I371 Y374	F359-I371 HydrophobicContact CB-CB 3.89Å; F359-I371 HydrophobicContact CB-CD1 3.9Å; F359-I371 HydrophobicContact CB-CG1 4.26Å; F359-I371 HydrophobicContact CD2-CD1 4.1Å; F359-I371 HydrophobicContact CG-CD1 4.04Å; F359-I371 PolarHBondContact O-N 3.27Å; F359-Y374 WeakPolarHBondContact CB-OH 3.42Å
360	Y	94.3	Very high	86.8	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	157.2	-175	57.7	-94.7	0	0	0	111.6	L239 L246 P247 L249 M293 Y357 M362 V369	L239-Y360 HydrophobicContact CD1-CE2 4.13Å; L246-Y360 HydrophobicContact CB-CE1 4.24Å; L246-Y360 HydrophobicContact CD1-CD2 4.37Å; L246-Y360 HydrophobicContact CD1-CE1 4.48Å; L246-Y360 HydrophobicContact CD1-CE2 4.26Å; L246-Y360 VanDerWaalsContact CD1-O 3.28Å; L246-Y360 WeakPolarHBondContact CD1-O 3.45Å; P247-Y360 VanDerWaalsContact O-CE1 3.22Å; P247-Y360 WeakPolarHBondContact O-CE1 3.14Å; P247-Y360 PolarHBondContact O-OH 2.58Å; L249-Y360 HydrophobicContact CB-CD1 3.9Å; L249-Y360 HydrophobicContact CB-CE1 3.69Å; L249-Y360 HydrophobicContact CD1-CD1 4.21Å; L249-Y360 HydrophobicContact CD1-CD2 3.83Å; L249-Y360 HydrophobicContact CD1-CE1 4.13Å; L249-Y360 HydrophobicContact CD1-CE2 3.73Å; L249-Y360 HydrophobicContact CD1-CG 4.07Å; L249-Y360 HydrophobicContact CG-CD1 4.48Å; L249-Y360 HydrophobicContact CG-CE1 4.47Å; M293-Y360 HydrophobicContact CE-CD2 4.08Å; M293-Y360 HydrophobicContact CE-CE2 3.99Å; M293-Y360 WeakPolarHBondContact CE-O 3.11Å; Y357-Y360 WeakPolarHBondContact O-CE1 3.33Å; Y360-M362 HydrophobicContact CD2-CG 3.64Å; Y360-M362 HydrophobicContact CD2-SD 4.15Å; Y360-M362 HydrophobicContact CE2-CG 3.85Å; Y360-M362 HydrophobicContact CE2-SD 3.79Å; Y360-V369 VanDerWaalsContact CA-O 3.24Å; Y360-V369 WeakPolarHBondContact CA-O 3.35Å
361	L	95.1	Very high	87.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.8	166.1	-62.5	174.1	0	0	0	108.7	F36 M290 M293 V294 P363 F368 V369 Y374 F512	F36-L361 HydrophobicContact CE2-CD1 4.01Å; F36-L361 HydrophobicContact CZ-CD1 4.2Å; M290-L361 HydrophobicContact CG-CB 4.14Å; M290-L361 HydrophobicContact CG-CD1 4.28Å; M290-L361 HydrophobicContact SD-CD1 4.32Å; M293-L361 HydrophobicContact SD-CD2 4.44Å; V294-L361 HydrophobicContact CG2-CD1 4.11Å; V294-L361 HydrophobicContact CG2-CD2 3.92Å; L361-P363 WeakPolarHBondContact O-CD 3.33Å; L361-F368 CarbonylContact O-C 3.49Å; L361-F368 WeakPolarHBondContact O-CA 3.45Å; L361-V369 HydrophobicContact CB-CB 4.34Å; L361-V369 PolarHBondContact N-O 2.92Å; L361-V369 PolarHBondContact O-N 3.42Å; L361-Y374 HydrophobicContact CD1-CD1 4.24Å; L361-Y374 HydrophobicContact CD1-CG 4.39Å; L361-Y374 HydrophobicContact CG-CD1 4.22Å; L361-Y374 HydrophobicContact CG-CE1 4.42Å; L361-F512 HydrophobicContact CD1-CE1 4.16Å
362	M	94.4	Very high	87.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	97	-176.6	-63.7	-166.9	80.3	0	0	110.7	T48 L239 L249 A252 I268 M293 Y360 S364 L365 F368	T48-M362 HydrophobicContact CG2-CE 4.16Å; L239-M362 HydrophobicContact CD1-SD 3.84Å; L249-M362 HydrophobicContact CD1-CE 3.98Å; L249-M362 HydrophobicContact CD1-SD 3.86Å; A252-M362 HydrophobicContact CB-SD 4.32Å; I268-M362 HydrophobicContact CD1-CB 3.55Å; I268-M362 HydrophobicContact CD1-CE 4.49Å; I268-M362 HydrophobicContact CD1-CG 4.14Å; I268-M362 HydrophobicContact CD1-SD 3.69Å; M293-M362 HydrophobicContact SD-CB 3.99Å; M293-M362 HydrophobicContact SD-CG 4.34Å; M293-M362 PolarHBondContact SD-N 2.98Å; Y360-M362 HydrophobicContact CD2-CG 3.64Å; Y360-M362 HydrophobicContact CD2-SD 4.15Å; Y360-M362 HydrophobicContact CE2-CG 3.85Å; Y360-M362 HydrophobicContact CE2-SD 3.79Å; M362-S364 PolarHBondContact O-N 3.28Å; M362-L365 HydrophobicContact CE-CD2 4.44Å; M362-F368 HydrophobicContact CG-CB 4.3Å
363	P	93.9	Very high	88.2	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-19.9	168.3	25.2	-32.3	0	0	0	112.7	T45 W277 A286 T289 M290 L361 H367 V369	T45-P363 HydrophobicContact CG2-CG 3.78Å; W277-P363 HydrophobicContact CH2-CB 4.16Å; W277-P363 HydrophobicContact CH2-CG 4.2Å; W277-P363 HydrophobicContact CZ3-CB 4.18Å; W277-P363 HydrophobicContact CZ3-CG 4.32Å; A286-P363 HydrophobicContact CB-CB 3.92Å; T289-P363 WeakPolarHBondContact CB-O 3.26Å; M290-P363 HydrophobicContact CB-CB 4.36Å; L361-P363 WeakPolarHBondContact O-CD 3.33Å; P363-H367 WeakPolarHBondContact CD-O 3.24Å; P363-V369 HydrophobicContact CG-CG2 4.34Å
364	S	93.6	Very high	88.8	Confident	7 Å²	7	32.6 Å²	32.6	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	165.1	174.6	177.1	0	0	0	0	109.8	W277 M362 S366 H367	W277-S364 VanDerWaalsContact CH2-CB 3.47Å; W277-S364 VanDerWaalsContact CZ2-CB 3.43Å; M362-S364 PolarHBondContact O-N 3.28Å; S364-S366 PolarHBondContact O-N 3.33Å; S364-S366 PolarHBondContact OG-N 2.93Å; S364-S366 PolarHBondContact OG-OG 3.44Å; S364-H367 PolarHBondContact O-N 2.88Å
365	L	92.1	Very high	89.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-20.6	172.9	-75.3	170.1	0	0	0	113.7	T48 I237 F255 Y256 C266 T267 I268 Q273 M362	T48-L365 WeakPolarHBondContact CG2-O 3.45Å; T48-L365 PolarHBondContact OG1-O 3.33Å; I237-L365 HydrophobicContact CG2-CD2 3.62Å; F255-L365 HydrophobicContact CE1-CD1 4.39Å; Y256-L365 HydrophobicContact CD2-CB 4.01Å; Y256-L365 HydrophobicContact CD2-CD1 4.39Å; Y256-L365 HydrophobicContact CE2-CB 4.4Å; Y256-L365 HydrophobicContact CG-CB 4.08Å; C266-L365 HydrophobicContact CB-CD1 3.95Å; T267-L365 WeakPolarHBondContact O-CD1 3.39Å; I268-L365 HydrophobicContact CB-CD1 4.45Å; I268-L365 HydrophobicContact CB-CD2 3.88Å; I268-L365 HydrophobicContact CB-CG 3.84Å; I268-L365 HydrophobicContact CD1-CD2 4.19Å; I268-L365 HydrophobicContact CG1-CD2 4.46Å; I268-L365 HydrophobicContact CG2-CD2 4.41Å; I268-L365 HydrophobicContact CG2-CG 3.97Å; Q273-L365 HydrophobicContact CG-CB 4.15Å; Q273-L365 HydrophobicContact CG-CD1 4.48Å; Q273-L365 VanDerWaalsContact NE2-CB 3.26Å; M362-L365 HydrophobicContact CE-CD2 4.44Å
366	S	91.4	Very high	91.1	Very high	14 Å²	14	28 Å²	28	10%	0.098	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.4	178.1	59.2	0	0	0	0	113.8	R47 T48 S364	R47-S366 WeakPolarHBondContact CA-O 3.43Å; T48-S366 PolarHBondContact N-O 3.43Å; T48-S366 WeakPolarHBondContact OG1-CA 3.36Å; T48-S366 PolarHBondContact OG1-O 3.26Å; S364-S366 PolarHBondContact O-N 3.33Å; S364-S366 PolarHBondContact OG-N 2.93Å; S364-S366 PolarHBondContact OG-OG 3.44Å
367	H	92.8	Very high	92	Very high	13 Å²	13	27.5 Å²	27.5	6%	0.06	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.7	-173.2	-70.3	77	0	0	0	111.5	T45 L46 R47 W277 P363 S364	T45-H367 PolarHBondContact OG1-CD2 3.14Å; L46-H367 CarbonylContact O-C 3.54Å; L46-H367 VanDerWaalsContact O-CA 3.22Å; L46-H367 WeakPolarHBondContact O-CA 3.31Å; R47-H367 VanDerWaalsContact CG-NE2 3.26Å; R47-H367 WeakPolarHBondContact CG-NE2 3.5Å; W277-H367 HydrophobicContact CH2-CB 3.94Å; W277-H367 HydrophobicContact CZ2-CB 4.05Å; W277-H367 AromaticContact CZ2-CG 3.92Å; W277-H367 AromaticContact CZ2-ND1 3.6Å; P363-H367 WeakPolarHBondContact CD-O 3.24Å; S364-H367 PolarHBondContact O-N 2.88Å
368	F	94.7	Very high	92.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.2	178.4	75.8	-78.1	0	0	0	111.3	L46 T48 Y49 L249 Y357 L361 M362	L46-F368 HydrophobicContact CB-CD1 4.05Å; L46-F368 HydrophobicContact CB-CE1 3.59Å; L46-F368 HydrophobicContact CB-CE2 4.44Å; L46-F368 HydrophobicContact CB-CZ 3.82Å; L46-F368 HydrophobicContact CD1-CE1 4.41Å; L46-F368 HydrophobicContact CD1-CE2 4.08Å; L46-F368 HydrophobicContact CD1-CZ 3.77Å; L46-F368 HydrophobicContact CG-CZ 4.46Å; L46-F368 PolarHBondContact N-O 3.15Å; L46-F368 VanDerWaalsContact O-CD1 3.3Å; L46-F368 WeakPolarHBondContact O-CD1 3.28Å; L46-F368 PolarHBondContact O-N 3.43Å; T48-F368 HydrophobicContact CG2-CB 4.44Å; T48-F368 HydrophobicContact CG2-CD1 3.81Å; Y49-F368 HydrophobicContact CE1-CE1 4.47Å; Y49-F368 HydrophobicContact CE1-CZ 4.42Å; L249-F368 HydrophobicContact CD1-CB 4.48Å; L249-F368 HydrophobicContact CD2-CB 4.27Å; L249-F368 HydrophobicContact CD2-CD1 3.72Å; L249-F368 HydrophobicContact CD2-CD2 3.62Å; L249-F368 HydrophobicContact CD2-CE1 3.86Å; L249-F368 HydrophobicContact CD2-CE2 3.76Å; L249-F368 HydrophobicContact CD2-CG 3.59Å; L249-F368 HydrophobicContact CD2-CZ 3.88Å; Y357-F368 AromaticContact CD2-CE2 3.63Å; Y357-F368 HydrophobicContact CD2-CE2 3.63Å; Y357-F368 AromaticContact CD2-CZ 3.84Å; Y357-F368 HydrophobicContact CD2-CZ 3.84Å; Y357-F368 AromaticContact CE2-CE2 3.81Å; Y357-F368 HydrophobicContact CE2-CE2 3.81Å; Y357-F368 AromaticContact CE2-CZ 3.73Å; Y357-F368 HydrophobicContact CE2-CZ 3.73Å; Y357-F368 HydrophobicContact CG-CE2 4.11Å; L361-F368 CarbonylContact O-C 3.49Å; L361-F368 WeakPolarHBondContact O-CA 3.45Å; M362-F368 HydrophobicContact CG-CB 4.3Å
369	V	94.9	Very high	93.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.6	173.9	-177.9	0	0	0	0	107.3	L39 T45 Y360 L361 P363 Y374	L39-V369 HydrophobicContact CB-CG1 4.24Å; L39-V369 HydrophobicContact CB-CG2 4.22Å; L39-V369 HydrophobicContact CD1-CG1 4.27Å; L39-V369 HydrophobicContact CD2-CG1 3.94Å; L39-V369 HydrophobicContact CG-CG1 4.37Å; L39-V369 WeakPolarHBondContact O-CG2 3.36Å; T45-V369 HydrophobicContact CG2-CG2 3.96Å; Y360-V369 VanDerWaalsContact CA-O 3.24Å; Y360-V369 WeakPolarHBondContact CA-O 3.35Å; L361-V369 HydrophobicContact CB-CB 4.34Å; L361-V369 PolarHBondContact N-O 2.92Å; L361-V369 PolarHBondContact O-N 3.42Å; P363-V369 HydrophobicContact CG-CG2 4.34Å; V369-Y374 HydrophobicContact CG1-CD1 4.19Å
370	S	93.1	Very high	94.1	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.063	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	161	178.5	72.7	0	0	0	0	111.9	G372 Y373 Y374	S370-G372 PolarHBondContact O-N 3.06Å; S370-G372 VanDerWaalsContact O-N 3.08Å; S370-Y373 PolarHBondContact O-N 3.41Å; S370-Y373 VanDerWaalsContact OG-CD2 3.28Å; S370-Y373 WeakPolarHBondContact OG-CD2 3.26Å; S370-Y374 VanDerWaalsContact O-CD1 3.26Å; S370-Y374 WeakPolarHBondContact O-CD1 3.22Å; S370-Y374 PolarHBondContact O-N 3.41Å
371	I	91.4	Very high	94.3	Very high	59 Å²	59	20.4 Å²	20.4	30%	0.303	13%	0.126	S	C	.	.	H	α-helix	trans	-48.3	-35.2	173.5	-169.5	171	0	0	0	113.9	F359 Y373 Y374 M375	F359-I371 HydrophobicContact CB-CB 3.89Å; F359-I371 HydrophobicContact CB-CD1 3.9Å; F359-I371 HydrophobicContact CB-CG1 4.26Å; F359-I371 HydrophobicContact CD2-CD1 4.1Å; F359-I371 HydrophobicContact CG-CD1 4.04Å; F359-I371 PolarHBondContact O-N 3.27Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 3.35Å; I371-Y374 VanDerWaalsContact CA-CE1 3.4Å; I371-Y374 HydrophobicContact CB-CE1 4.19Å; I371-Y374 HydrophobicContact CG1-CE2 4.11Å; I371-M375 HydrophobicContact CD1-CE 3.83Å; I371-M375 HydrophobicContact CD1-CG 4.23Å; I371-M375 HydrophobicContact CG1-CE 3.94Å; I371-M375 HydrophobicContact CG1-CG 3.44Å; I371-M375 VanDerWaalsContact CG1-CG 3.44Å; I371-M375 VanDerWaalsContact O-CB 3.23Å; I371-M375 WeakPolarHBondContact O-CB 3.47Å; I371-M375 VanDerWaalsContact O-CG 3.26Å; I371-M375 WeakPolarHBondContact O-CG 3.48Å; I371-M375 PolarHBondContact O-N 3.4Å; I371-M375 VanDerWaalsContact O-N 3.07Å
372	G	91.1	Very high	94.3	Very high	52 Å²	52	21.2 Å²	21.2	54%	0.536	13%	0.132	S	C	.	.	H	α-helix	trans	-64.9	-27.4	179.4	0	0	0	0	0	113.9	S370 P376	S370-G372 PolarHBondContact O-N 3.06Å; S370-G372 VanDerWaalsContact O-N 3.08Å; G372-P376 VanDerWaalsContact O-CD 3.25Å; G372-P376 WeakPolarHBondContact O-CD 3.18Å; G372-P376 WeakPolarHBondContact O-CG 3.42Å
373	Y	93.1	Very high	94.4	Very high	77 Å²	77	24 Å²	24	30%	0.302	15%	0.149	S	C	.	.	H	α-helix	trans	-89.6	-39.3	-179.8	-71.3	-69	0	0	0	112.8	W35 L39 F44 L46 S370 I371 P376	W35-Y373 PolarHBondContact NE1-O 2.86Å; L39-Y373 WeakPolarHBondContact CD2-O 3.15Å; F44-Y373 HydrophobicContact CD1-CD1 4.04Å; F44-Y373 HydrophobicContact CD1-CE1 4.35Å; L46-Y373 HydrophobicContact CD1-CE2 4.01Å; L46-Y373 HydrophobicContact CD2-CE2 4.09Å; L46-Y373 HydrophobicContact CG-CE2 3.94Å; S370-Y373 PolarHBondContact O-N 3.41Å; S370-Y373 VanDerWaalsContact OG-CD2 3.28Å; S370-Y373 WeakPolarHBondContact OG-CD2 3.26Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 3.35Å; Y373-P376 WeakPolarHBondContact O-CD 3.49Å
374	Y	93.2	Very high	94.5	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-87.2	-27.9	-176.3	69.1	-115.7	0	0	0	114.1	L39 F359 L361 V369 S370 I371 P376 A377 F512	L39-Y374 VanDerWaalsContact CD1-CB 3.44Å; F359-Y374 WeakPolarHBondContact CB-OH 3.42Å; L361-Y374 HydrophobicContact CD1-CD1 4.24Å; L361-Y374 HydrophobicContact CD1-CG 4.39Å; L361-Y374 HydrophobicContact CG-CD1 4.22Å; L361-Y374 HydrophobicContact CG-CE1 4.42Å; V369-Y374 HydrophobicContact CG1-CD1 4.19Å; S370-Y374 VanDerWaalsContact O-CD1 3.26Å; S370-Y374 WeakPolarHBondContact O-CD1 3.22Å; S370-Y374 PolarHBondContact O-N 3.41Å; I371-Y374 VanDerWaalsContact CA-CE1 3.4Å; I371-Y374 HydrophobicContact CB-CE1 4.19Å; I371-Y374 HydrophobicContact CG1-CE2 4.11Å; Y374-P376 VanDerWaalsContact C-CD 3.5Å; Y374-A377 WeakPolarHBondContact O-CB 3.34Å; Y374-A377 PolarHBondContact O-N 3.48Å; Y374-A377 VanDerWaalsContact O-N 3.15Å; Y374-F512 AromaticContact CD2-CD1 3.8Å; Y374-F512 HydrophobicContact CD2-CD1 3.8Å; Y374-F512 AromaticContact CD2-CD2 3.52Å; Y374-F512 HydrophobicContact CD2-CD2 3.52Å; Y374-F512 AromaticContact CD2-CE1 3.7Å; Y374-F512 HydrophobicContact CD2-CE1 3.7Å; Y374-F512 AromaticContact CD2-CE2 3.39Å; Y374-F512 HydrophobicContact CD2-CE2 3.39Å; Y374-F512 AromaticContact CD2-CG 3.71Å; Y374-F512 HydrophobicContact CD2-CG 3.71Å; Y374-F512 AromaticContact CD2-CZ 3.49Å; Y374-F512 HydrophobicContact CD2-CZ 3.49Å; Y374-F512 VanDerWaalsContact CD2-CZ 3.49Å; Y374-F512 HydrophobicContact CE2-CB 3.94Å; Y374-F512 AromaticContact CE2-CD1 3.78Å; Y374-F512 HydrophobicContact CE2-CD1 3.78Å; Y374-F512 AromaticContact CE2-CD2 3.45Å; Y374-F512 HydrophobicContact CE2-CD2 3.45Å; Y374-F512 VanDerWaalsContact CE2-CD2 3.45Å; Y374-F512 HydrophobicContact CE2-CE1 4.18Å; Y374-F512 AromaticContact CE2-CE2 3.86Å; Y374-F512 HydrophobicContact CE2-CE2 3.86Å; Y374-F512 AromaticContact CE2-CG 3.39Å; Y374-F512 HydrophobicContact CE2-CG 3.39Å; Y374-F512 HydrophobicContact CE2-CZ 4.21Å; Y374-F512 HydrophobicContact CG-CE1 4.21Å; Y374-F512 HydrophobicContact CG-CE2 4.44Å; Y374-F512 HydrophobicContact CG-CZ 4.16Å
375	M	94.1	Very high	94.6	Very high	43 Å²	43	23.9 Å²	23.9	21%	0.212	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-35.9	179.2	-79.4	-65.1	-171.6	0	0	114.4	I371 A377 F378 G379 F512	I371-M375 HydrophobicContact CD1-CE 3.83Å; I371-M375 HydrophobicContact CD1-CG 4.23Å; I371-M375 HydrophobicContact CG1-CE 3.94Å; I371-M375 HydrophobicContact CG1-CG 3.44Å; I371-M375 VanDerWaalsContact CG1-CG 3.44Å; I371-M375 VanDerWaalsContact O-CB 3.23Å; I371-M375 WeakPolarHBondContact O-CB 3.47Å; I371-M375 VanDerWaalsContact O-CG 3.26Å; I371-M375 WeakPolarHBondContact O-CG 3.48Å; I371-M375 PolarHBondContact O-N 3.4Å; I371-M375 VanDerWaalsContact O-N 3.07Å; M375-A377 PolarHBondContact O-N 3.25Å; M375-F378 PolarHBondContact O-N 3Å; M375-F378 VanDerWaalsContact O-N 3.11Å; M375-G379 PolarHBondContact O-N 3Å; M375-F512 HydrophobicContact CE-CD2 4.29Å; M375-F512 HydrophobicContact SD-CD2 3.95Å; M375-F512 HydrophobicContact SD-CE2 4.35Å
376	P	95.9	Very high	94.7	Very high	52 Å²	52	28.2 Å²	28.2	34%	0.338	17%	0.17	S	C	.	.	H	α-helix	trans	-53.7	-35.5	172.7	-30	35.7	0	0	0	114.5	W35 G372 Y373 Y374 F378 G379 L380	W35-P376 HydrophobicContact CZ2-CB 4.41Å; G372-P376 VanDerWaalsContact O-CD 3.25Å; G372-P376 WeakPolarHBondContact O-CD 3.18Å; G372-P376 WeakPolarHBondContact O-CG 3.42Å; Y373-P376 WeakPolarHBondContact O-CD 3.49Å; Y374-P376 VanDerWaalsContact C-CD 3.5Å; P376-F378 PolarHBondContact O-N 3.21Å; P376-G379 PolarHBondContact O-N 3.44Å; P376-L380 WeakPolarHBondContact O-CG 3.44Å; P376-L380 PolarHBondContact O-N 2.83Å
377	A	96	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-46.5	176.1	0	0	0	0	0	111.4	G32 W35 F36 Y374 M375 L381 F516	G32-A377 WeakPolarHBondContact O-CB 3.25Å; W35-A377 HydrophobicContact CB-CB 4.44Å; W35-A377 HydrophobicContact CG-CB 4.5Å; F36-A377 HydrophobicContact CB-CB 3.88Å; F36-A377 HydrophobicContact CD2-CB 4.19Å; Y374-A377 WeakPolarHBondContact O-CB 3.34Å; Y374-A377 PolarHBondContact O-N 3.48Å; Y374-A377 VanDerWaalsContact O-N 3.15Å; M375-A377 PolarHBondContact O-N 3.25Å; A377-L381 PolarHBondContact O-N 3.04Å; A377-F516 HydrophobicContact CB-CE2 4Å
378	F	96.8	Very high	94.8	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-41.9	174.3	175	-94.9	0	0	0	111.8	M375 P376 L380 L381 A382 L504 A508 F512 F516 A519	M375-F378 PolarHBondContact O-N 3Å; M375-F378 VanDerWaalsContact O-N 3.11Å; P376-F378 PolarHBondContact O-N 3.21Å; F378-L380 VanDerWaalsContact C-N 3.29Å; F378-L380 PolarHBondContact O-N 2.97Å; F378-L381 WeakPolarHBondContact O-CB 3.4Å; F378-L381 PolarHBondContact O-N 2.75Å; F378-A382 HydrophobicContact CD1-CB 4.48Å; F378-A382 HydrophobicContact CE1-CB 4.03Å; F378-A382 HydrophobicContact CZ-CB 4.32Å; F378-A382 PolarHBondContact O-N 3.17Å; F378-L504 HydrophobicContact CE2-CB 4.09Å; F378-L504 HydrophobicContact CZ-CB 4.02Å; F378-L504 WeakPolarHBondContact CZ-O 3.29Å; F378-A508 HydrophobicContact CD1-CB 4.07Å; F378-A508 HydrophobicContact CD2-CB 3.92Å; F378-A508 HydrophobicContact CE1-CB 3.85Å; F378-A508 HydrophobicContact CE2-CB 3.68Å; F378-A508 HydrophobicContact CG-CB 4.12Å; F378-A508 HydrophobicContact CZ-CB 3.66Å; F378-F512 HydrophobicContact CB-CE2 3.87Å; F378-F516 HydrophobicContact CB-CD2 4.47Å; F378-A519 HydrophobicContact CD2-CB 4.16Å; F378-A519 HydrophobicContact CE2-CB 4.02Å
379	G	97	Very high	94.8	Very high	30 Å²	30	30.1 Å²	30.1	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-56.5	-42	177.9	0	0	0	0	0	112.7	M375 P376 L381 A382 V383	M375-G379 PolarHBondContact O-N 3Å; P376-G379 PolarHBondContact O-N 3.44Å; G379-L381 VanDerWaalsContact C-N 3.32Å; G379-L381 PolarHBondContact O-N 2.85Å; G379-A382 PolarHBondContact O-N 3.31Å; G379-V383 VanDerWaalsContact O-CG2 3.26Å; G379-V383 WeakPolarHBondContact O-CG2 3.36Å; G379-V383 PolarHBondContact O-N 3.28Å
380	L	97.4	Very high	94.6	Very high	51 Å²	51	34.7 Å²	34.7	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-39	175.1	-73	169.2	0	0	0	112.3	A31 P376 F378	A31-L380 HydrophobicContact CB-CD1 3.99Å; P376-L380 WeakPolarHBondContact O-CG 3.44Å; P376-L380 PolarHBondContact O-N 2.83Å; F378-L380 VanDerWaalsContact C-N 3.29Å; F378-L380 PolarHBondContact O-N 2.97Å
381	L	97.5	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.8	-42.1	174.2	-59.9	179.1	0	0	0	111.9	Y29 A377 F378 G379 V383 I384 F516 A519 L520 V523	Y29-L381 HydrophobicContact CD2-CD2 3.53Å; Y29-L381 HydrophobicContact CE2-CD2 3.98Å; Y29-L381 HydrophobicContact CG-CD2 4.23Å; A377-L381 PolarHBondContact O-N 3.04Å; F378-L381 WeakPolarHBondContact O-CB 3.4Å; F378-L381 PolarHBondContact O-N 2.75Å; G379-L381 VanDerWaalsContact C-N 3.32Å; G379-L381 PolarHBondContact O-N 2.85Å; L381-V383 VanDerWaalsContact C-N 3.35Å; L381-V383 PolarHBondContact O-N 3.34Å; L381-I384 HydrophobicContact CD2-CD1 4.44Å; L381-I384 VanDerWaalsContact O-CB 3.31Å; L381-I384 WeakPolarHBondContact O-CB 3.36Å; L381-I384 PolarHBondContact O-N 3.19Å; L381-F516 HydrophobicContact CD1-CD2 4.05Å; L381-F516 HydrophobicContact CD1-CE2 3.75Å; L381-A519 HydrophobicContact CB-CB 4.25Å; L381-A519 HydrophobicContact CD1-CB 3.79Å; L381-L520 HydrophobicContact CD1-CD2 3.91Å; L381-L520 HydrophobicContact CD1-CG 4.32Å; L381-V523 HydrophobicContact CB-CG2 4.45Å
382	A	96.3	Very high	94.3	Very high	17 Å²	17	32.4 Å²	32.4	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-36.3	-179.9	0	0	0	0	0	112.5	F378 G379 I384 L385 L386	F378-A382 HydrophobicContact CD1-CB 4.48Å; F378-A382 HydrophobicContact CE1-CB 4.03Å; F378-A382 HydrophobicContact CZ-CB 4.32Å; F378-A382 PolarHBondContact O-N 3.17Å; G379-A382 PolarHBondContact O-N 3.31Å; A382-I384 PolarHBondContact O-N 3.31Å; A382-L385 WeakPolarHBondContact O-CB 3.4Å; A382-L385 PolarHBondContact O-N 3.35Å; A382-L386 PolarHBondContact O-N 3.31Å
383	V	95.5	Very high	94.2	Very high	59 Å²	59	37.2 Å²	37.2	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-32.4	176.5	165.9	0	0	0	0	111.9	G379 L381 L385 L386 L387	G379-V383 VanDerWaalsContact O-CG2 3.26Å; G379-V383 WeakPolarHBondContact O-CG2 3.36Å; G379-V383 PolarHBondContact O-N 3.28Å; L381-V383 VanDerWaalsContact C-N 3.35Å; L381-V383 PolarHBondContact O-N 3.34Å; V383-L385 VanDerWaalsContact C-N 3.27Å; V383-L385 PolarHBondContact O-N 3.31Å; V383-L386 PolarHBondContact O-N 3.49Å; V383-L386 VanDerWaalsContact O-N 3.16Å; V383-L387 HydrophobicContact CG1-CD1 3.79Å; V383-L387 HydrophobicContact CG1-CG 3.94Å; V383-L387 WeakPolarHBondContact O-CG 3.4Å; V383-L387 PolarHBondContact O-N 2.82Å
384	I	96.4	Very high	93.9	Very high	3 Å²	3	35 Å²	35	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-43.4	175.8	-61.4	170.1	0	0	0	110.6	C25 C28 Y29 L381 A382 L387 R388 V523 A527	C25-I384 HydrophobicContact CB-CG1 4.43Å; C25-I384 HydrophobicContact CB-CG2 3.96Å; C25-I384 WeakPolarHBondContact O-CD1 3.46Å; C28-I384 HydrophobicContact CB-CD1 4.13Å; C28-I384 HydrophobicContact CB-CG1 3.81Å; Y29-I384 HydrophobicContact CD2-CD1 4.25Å; L381-I384 HydrophobicContact CD2-CD1 4.44Å; L381-I384 VanDerWaalsContact O-CB 3.31Å; L381-I384 WeakPolarHBondContact O-CB 3.36Å; L381-I384 PolarHBondContact O-N 3.19Å; A382-I384 PolarHBondContact O-N 3.31Å; I384-L387 PolarHBondContact O-N 3.43Å; I384-R388 HydrophobicContact CG2-CG 4.44Å; I384-R388 WeakPolarHBondContact O-CB 3.13Å; I384-R388 WeakPolarHBondContact O-CG 3.48Å; I384-R388 PolarHBondContact O-N 2.93Å; I384-V523 HydrophobicContact CB-CG1 3.72Å; I384-V523 HydrophobicContact CD1-CG1 3.8Å; I384-V523 HydrophobicContact CG1-CG1 4.34Å; I384-V523 HydrophobicContact CG2-CG1 3.65Å; I384-A527 HydrophobicContact CG2-CB 4.06Å
385	L	96.6	Very high	93.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-41.1	178.9	-58.2	179.3	0	0	0	111.2	A382 V383 R388 A389 V497 L500 A501 L504 V523 A526	A382-L385 WeakPolarHBondContact O-CB 3.4Å; A382-L385 PolarHBondContact O-N 3.35Å; V383-L385 VanDerWaalsContact C-N 3.27Å; V383-L385 PolarHBondContact O-N 3.31Å; L385-R388 PolarHBondContact O-N 3.42Å; L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 2.85Å; L385-V497 HydrophobicContact CB-CG1 3.97Å; L385-V497 HydrophobicContact CD2-CG1 4.27Å; L385-V497 WeakPolarHBondContact O-CG1 3.15Å; L385-L500 HydrophobicContact CD1-CB 4.37Å; L385-L500 HydrophobicContact CD1-CD2 4.15Å; L385-L500 HydrophobicContact CD1-CG 4Å; L385-L500 HydrophobicContact CD2-CD2 3.95Å; L385-A501 HydrophobicContact CB-CB 3.96Å; L385-A501 HydrophobicContact CD1-CB 3.93Å; L385-L504 HydrophobicContact CD1-CD1 3.98Å; L385-V523 HydrophobicContact CD1-CG2 4.13Å; L385-V523 HydrophobicContact CD2-CB 4.47Å; L385-V523 HydrophobicContact CD2-CG1 4.19Å; L385-V523 HydrophobicContact CD2-CG2 4.19Å; L385-V523 HydrophobicContact CG-CG1 4.46Å; L385-V523 HydrophobicContact CG-CG2 4.14Å; L385-A526 HydrophobicContact CD2-CB 3.54Å
386	L	94.6	Very high	93.1	Very high	91 Å²	91	38.4 Å²	38.4	48%	0.476	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-45.5	176.7	-62	178.5	0	0	0	112	A382 V383 R388 A389 L390	A382-L386 PolarHBondContact O-N 3.31Å; V383-L386 PolarHBondContact O-N 3.49Å; V383-L386 VanDerWaalsContact O-N 3.16Å; L386-R388 VanDerWaalsContact C-N 3.31Å; L386-R388 PolarHBondContact O-N 3.47Å; L386-A389 PolarHBondContact O-N 2.95Å; L386-L390 WeakPolarHBondContact O-CB 3.24Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.49Å; L386-L390 PolarHBondContact O-N 2.9Å
387	L	93	Very high	92.4	Very high	30 Å²	30	40.2 Å²	40.2	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-39.5	177.1	-69	175.1	0	0	0	111.6	N21 I24 V383 I384 L390 D391	N21-L387 WeakPolarHBondContact OD1-CB 3.16Å; I24-L387 HydrophobicContact CG2-CD1 3.59Å; V383-L387 HydrophobicContact CG1-CD1 3.79Å; V383-L387 HydrophobicContact CG1-CG 3.94Å; V383-L387 WeakPolarHBondContact O-CG 3.4Å; V383-L387 PolarHBondContact O-N 2.82Å; I384-L387 PolarHBondContact O-N 3.43Å; L387-L390 PolarHBondContact O-N 3.29Å; L387-D391 WeakPolarHBondContact O-CB 3.37Å; L387-D391 PolarHBondContact O-N 2.93Å
388	R	93.1	Very high	91.2	Very high	32 Å²	32	43.2 Å²	43.2	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-40.5	175.2	-70.9	-67.1	179.8	-175.1	8	112.7	I384 L385 L386 D391 L392 V497 A527	I384-R388 HydrophobicContact CG2-CG 4.44Å; I384-R388 WeakPolarHBondContact O-CB 3.13Å; I384-R388 WeakPolarHBondContact O-CG 3.48Å; I384-R388 PolarHBondContact O-N 2.93Å; L385-R388 PolarHBondContact O-N 3.42Å; L386-R388 VanDerWaalsContact C-N 3.31Å; L386-R388 PolarHBondContact O-N 3.47Å; R388-D391 IonicContact NH1-OD2 3.19Å; R388-D391 PolarHBondContact O-N 3.28Å; R388-L392 WeakPolarHBondContact O-CB 3.48Å; R388-L392 VanDerWaalsContact O-CG 3.31Å; R388-L392 WeakPolarHBondContact O-CG 3.49Å; R388-L392 PolarHBondContact O-N 3.2Å; R388-V497 HydrophobicContact CB-CG1 4.35Å; R388-A527 HydrophobicContact CG-CB 4.48Å
389	A	93.2	Very high	89.3	Confident	6 Å²	6	47.6 Å²	47.6	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-43.7	174.1	0	0	0	0	0	111.5	L385 L386 L392 W393 L494 V497 L498	L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 2.85Å; L386-A389 PolarHBondContact O-N 2.95Å; A389-L392 PolarHBondContact O-N 3.41Å; A389-W393 WeakPolarHBondContact O-CB 3.38Å; A389-W393 PolarHBondContact O-N 3.46Å; A389-L494 HydrophobicContact CB-CD1 3.77Å; A389-L494 VanDerWaalsContact O-CD1 3.31Å; A389-L494 WeakPolarHBondContact O-CD1 3.16Å; A389-V497 HydrophobicContact CB-CG1 4.11Å; A389-L498 HydrophobicContact CB-CD2 3.76Å; A389-L498 HydrophobicContact CB-CG 4.17Å
390	L	91	Very high	87.2	Confident	95 Å²	95	50.2 Å²	50.2	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-43.5	177.6	-72.7	172.5	0	0	0	112.5	L386 L387 W393 V394	L386-L390 WeakPolarHBondContact O-CB 3.24Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.49Å; L386-L390 PolarHBondContact O-N 2.9Å; L387-L390 PolarHBondContact O-N 3.29Å; L390-W393 PolarHBondContact O-N 2.9Å; L390-V394 WeakPolarHBondContact O-CG2 3.12Å; L390-V394 PolarHBondContact O-N 3.44Å
391	D	89.8	Confident	84.8	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-46	176.3	179.9	33.9	0	0	0	111.7	T18 N21 L387 R388 W393 V394 Q395	T18-D391 WeakPolarHBondContact CG2-OD1 3.39Å; N21-D391 WeakPolarHBondContact ND2-CB 3.25Å; N21-D391 VanDerWaalsContact ND2-CG 3.25Å; N21-D391 PolarHBondContact ND2-OD2 3.09Å; L387-D391 WeakPolarHBondContact O-CB 3.37Å; L387-D391 PolarHBondContact O-N 2.93Å; R388-D391 IonicContact NH1-OD2 3.19Å; R388-D391 PolarHBondContact O-N 3.28Å; D391-W393 VanDerWaalsContact C-N 3.34Å; D391-W393 PolarHBondContact O-N 2.85Å; D391-V394 PolarHBondContact O-N 3.44Å; D391-Q395 VanDerWaalsContact O-CG 3.28Å; D391-Q395 WeakPolarHBondContact O-CG 3.49Å; D391-Q395 PolarHBondContact O-N 3.41Å; D391-Q395 PolarHBondContact OD1-NE2 2.82Å; D391-Q395 PolarHBondContact OD2-NE2 3.14Å
392	L	89.3	Confident	82.1	Confident	8 Å²	8	59 Å²	59	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-41.9	174.7	-72.1	168.5	0	0	0	112.1	R388 A389 Q395 L396 R490 K493 L494	R388-L392 WeakPolarHBondContact O-CB 3.48Å; R388-L392 VanDerWaalsContact O-CG 3.31Å; R388-L392 WeakPolarHBondContact O-CG 3.49Å; R388-L392 PolarHBondContact O-N 3.2Å; A389-L392 PolarHBondContact O-N 3.41Å; L392-Q395 PolarHBondContact O-N 3.4Å; L392-L396 WeakPolarHBondContact O-CB 3.45Å; L392-L396 VanDerWaalsContact O-CG 3.28Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 3.05Å; L392-R490 HydrophobicContact CD2-CB 4.49Å; L392-K493 HydrophobicContact CD1-CB 4.02Å; L392-K493 HydrophobicContact CD1-CD 3.84Å; L392-K493 HydrophobicContact CD1-CG 3.67Å; L392-K493 HydrophobicContact CD2-CD 4.28Å; L392-L494 HydrophobicContact CB-CB 4.38Å; L392-L494 HydrophobicContact CB-CD1 4.33Å; L392-L494 HydrophobicContact CD1-CB 4.44Å
393	W	89	Confident	79.3	Confident	153 Å²	153	62.3 Å²	62.3	58%	0.58	37%	0.368	S	S	*	.	H	α-helix	trans	-61	-45.7	176.4	179.3	-101.6	0	0	0	112.1	A389 L390 D391 Q395 L396 V397 L494	A389-W393 WeakPolarHBondContact O-CB 3.38Å; A389-W393 PolarHBondContact O-N 3.46Å; L390-W393 PolarHBondContact O-N 2.9Å; D391-W393 VanDerWaalsContact C-N 3.34Å; D391-W393 PolarHBondContact O-N 2.85Å; W393-Q395 VanDerWaalsContact C-N 3.32Å; W393-Q395 PolarHBondContact O-N 2.78Å; W393-L396 PolarHBondContact O-N 3.39Å; W393-V397 HydrophobicContact CD2-CG2 4.18Å; W393-V397 HydrophobicContact CZ2-CG2 4.06Å; W393-V397 VanDerWaalsContact O-CG2 3.31Å; W393-V397 WeakPolarHBondContact O-CG2 3.36Å; W393-V397 PolarHBondContact O-N 2.87Å; W393-L494 HydrophobicContact CE3-CD2 3.83Å; W393-L494 HydrophobicContact CZ3-CD2 4.49Å
394	V	86.9	Confident	76.8	Confident	31 Å²	31	63.8 Å²	63.8	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-43.1	176.3	165.4	0	0	0	0	111.3	I14 T18 L390 D391 L396 V397 S398	I14-V394 HydrophobicContact CG2-CB 4.47Å; I14-V394 HydrophobicContact CG2-CG1 3.35Å; I14-V394 HydrophobicContact CG2-CG2 4.27Å; T18-V394 HydrophobicContact CG2-CG1 4.04Å; L390-V394 WeakPolarHBondContact O-CG2 3.12Å; L390-V394 PolarHBondContact O-N 3.44Å; D391-V394 PolarHBondContact O-N 3.44Å; V394-L396 VanDerWaalsContact C-N 3.29Å; V394-L396 PolarHBondContact O-N 2.98Å; V394-V397 PolarHBondContact O-N 3.14Å; V394-S398 VanDerWaalsContact O-CB 3.26Å; V394-S398 WeakPolarHBondContact O-CB 3.42Å; V394-S398 PolarHBondContact O-N 2.94Å; V394-S398 PolarHBondContact O-OG 2.91Å
395	Q	84.5	Confident	74.1	Confident	72 Å²	72	71.2 Å²	71.2	34%	0.336	43%	0.427	S	S	.	.	H	α-helix	trans	-67.4	-29.3	178.9	-70	173.9	32	0	0	113	D391 L392 W393	D391-Q395 VanDerWaalsContact O-CG 3.28Å; D391-Q395 WeakPolarHBondContact O-CG 3.49Å; D391-Q395 PolarHBondContact O-N 3.41Å; D391-Q395 PolarHBondContact OD1-NE2 2.82Å; D391-Q395 PolarHBondContact OD2-NE2 3.14Å; L392-Q395 PolarHBondContact O-N 3.4Å; W393-Q395 VanDerWaalsContact C-N 3.32Å; W393-Q395 PolarHBondContact O-N 2.78Å
396	L	84.4	Confident	71.4	Confident	44 Å²	44	74.6 Å²	74.6	23%	0.23	46%	0.462	C	S	.	.	H	α-helix	trans	-77.2	-33.6	175.3	-74.2	166.6	0	0	0	112.4	L392 W393 V394 R490 V491 L494	L392-L396 WeakPolarHBondContact O-CB 3.45Å; L392-L396 VanDerWaalsContact O-CG 3.28Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 3.05Å; W393-L396 PolarHBondContact O-N 3.39Å; V394-L396 VanDerWaalsContact C-N 3.29Å; V394-L396 PolarHBondContact O-N 2.98Å; L396-R490 HydrophobicContact CD2-CB 3.84Å; L396-R490 HydrophobicContact CG-CB 4.26Å; L396-V491 HydrophobicContact CD1-CG2 3.94Å; L396-V491 HydrophobicContact CD2-CG2 3.79Å; L396-L494 HydrophobicContact CD1-CD2 3.95Å
397	V	82.1	Confident	69.1	Low	90 Å²	90	78 Å²	78	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-88.4	-26.9	-176.9	174.5	0	0	0	0	112.9	W393 V394	W393-V397 HydrophobicContact CD2-CG2 4.18Å; W393-V397 HydrophobicContact CZ2-CG2 4.06Å; W393-V397 VanDerWaalsContact O-CG2 3.31Å; W393-V397 WeakPolarHBondContact O-CG2 3.36Å; W393-V397 PolarHBondContact O-N 2.87Å; V394-V397 PolarHBondContact O-N 3.14Å
398	S	71.4	Confident	66.3	Low	63 Å²	63	80 Å²	80	44%	0.441	51%	0.514	S	S	.	.	S	Bend	trans	-83.3	121.5	-177.4	-56	0	0	0	0	111	V394	V394-S398 VanDerWaalsContact O-CB 3.26Å; V394-S398 WeakPolarHBondContact O-CB 3.42Å; V394-S398 PolarHBondContact O-N 2.94Å; V394-S398 PolarHBondContact O-OG 2.91Å
399	P	56.1	Low	63.4	Low	109 Å²	109	86.2 Å²	86.2	71%	0.708	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-67	147.3	175.3	26.7	-32.2	0	0	0	110.4	A401	P399-A401 PolarHBondContact O-N 3.39Å
400	P	53.4	Low	60.8	Low	85 Å²	85	93.9 Å²	93.9	55%	0.552	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.3	136.2	172.4	24.1	-31.2	0	0	0	109.1	V402	P400-V402 PolarHBondContact O-N 2.89Å
401	A	45.9	Very low	58.3	Low	99 Å²	99	93.5 Å²	93.5	82%	0.818	60%	0.599	S	S	*	*			trans	-59.3	114.5	173.4	0	0	0	0	0	107.9	P399 A403	P399-A401 PolarHBondContact O-N 3.39Å; A401-A403 PolarHBondContact O-N 3.15Å
402	V	41.6	Very low	55.8	Low	137 Å²	137	101.5 Å²	101.5	83%	0.83	64%	0.636	S	S	*	*			trans	-56.9	110.2	169.5	177.8	0	0	0	0	106	P400 A404	P400-V402 PolarHBondContact O-N 2.89Å; V402-A404 PolarHBondContact O-N 3.48Å
403	A	38.3	Very low	53.8	Low	86 Å²	86	107 Å²	107	71%	0.711	66%	0.661	S	S	*	*			trans	-57.3	114.6	165.2	0	0	0	0	0	105.7	A401 D405	A401-A403 PolarHBondContact O-N 3.15Å; A403-D405 PolarHBondContact O-N 3.33Å
404	A	42	Very low	52	Low	91 Å²	91	103.3 Å²	103.3	75%	0.752	66%	0.659	S	S	*	*	S	Bend	trans	-70.8	79.9	174	0	0	0	0	0	107.4	V402	V402-A404 PolarHBondContact O-N 3.48Å
405	D	39	Very low	50.6	Low	158 Å²	158	106.4 Å²	106.4	85%	0.845	68%	0.682	S	S	*	*	S	Bend	trans	-166.8	107.7	157.9	-87.9	-29.8	0	0	0	109.5	A403	A403-D405 PolarHBondContact O-N 3.33Å
406	G	41.6	Very low	49.4	Very low	74 Å²	74	104.6 Å²	104.6	76%	0.763	68%	0.676	S	S	*	*			trans	68.7	106.3	147.2	0	0	0	0	0	119.6	G408	G406-G408 PolarHBondContact O-N 2.92Å
407	V	45.3	Very low	48.6	Very low	162 Å²	162	103.6 Å²	103.6	98%	0.982	68%	0.676	S	S	*	*			trans	15.1	100.5	149.3	-170	0	0	0	0	116.4
408	G	34	Very low	48.1	Very low	71 Å²	71	104.9 Å²	104.9	73%	0.732	68%	0.684	S	S	*	*			trans	-156.5	133.2	163.6	0	0	0	0	0	108.8	G406	G406-G408 PolarHBondContact O-N 2.92Å
409	D	32.3	Very low	48.4	Very low	163 Å²	163	106.5 Å²	106.5	87%	0.872	69%	0.687	S	S	*	*			trans	-36.7	134.3	-161.8	-65.8	-52.8	0	0	0	117.1	A411	D409-A411 PolarHBondContact O-N 3.35Å
410	I	38.9	Very low	49.3	Very low	168 Å²	168	101.3 Å²	101.3	86%	0.862	65%	0.654	S	S	*	*			trans	-68.2	80.9	165.1	-56.7	170.9	0	0	0	107	Q412	I410-Q412 VanDerWaalsContact C-N 3.31Å; I410-Q412 PolarHBondContact O-N 3.37Å
411	A	38.3	Very low	50.6	Low	87 Å²	87	98.5 Å²	98.5	72%	0.719	64%	0.635	S	S	*	*			trans	-63.1	101	161.5	0	0	0	0	0	106.4	D409 Q413	D409-A411 PolarHBondContact O-N 3.35Å; A411-Q413 PolarHBondContact O-N 2.95Å
412	Q	38.1	Very low	52.5	Low	180 Å²	180	97.9 Å²	97.9	84%	0.841	62%	0.618	S	S	*	*			trans	-48.7	109.1	174.9	-161.8	161.5	-4.9	0	0	107.8	I410 S414	I410-Q412 VanDerWaalsContact C-N 3.31Å; I410-Q412 PolarHBondContact O-N 3.37Å; Q412-S414 VanDerWaalsContact C-N 3.32Å; Q412-S414 PolarHBondContact O-N 2.89Å
413	Q	45.8	Very low	54.6	Low	124 Å²	124	91.9 Å²	91.9	58%	0.579	58%	0.581	S	S	*	*			trans	-57.6	100.7	174.3	-84.7	177	-26.3	0	0	106.9	A411 S415	A411-Q413 PolarHBondContact O-N 2.95Å; Q413-S415 PolarHBondContact O-N 3.26Å; Q413-S415 VanDerWaalsContact O-N 3.14Å
414	S	52	Low	57	Low	76 Å²	76	87.8 Å²	87.8	53%	0.531	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-62.3	117	176.7	42.8	0	0	0	0	107.2	Q412	Q412-S414 VanDerWaalsContact C-N 3.32Å; Q412-S414 PolarHBondContact O-N 2.89Å
415	S	56.8	Low	59.4	Low	96 Å²	96	85.9 Å²	85.9	67%	0.671	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-49.6	134.2	169	52.5	0	0	0	0	108.2	Q413 G417	Q413-S415 PolarHBondContact O-N 3.26Å; Q413-S415 VanDerWaalsContact O-N 3.14Å; S415-G417 PolarHBondContact O-N 2.83Å; S415-G417 VanDerWaalsContact O-N 3.08Å
416	P	61	Low	61.9	Low	34 Å²	34	81.4 Å²	81.4	22%	0.221	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-54.8	124.4	-179.7	22	-31.6	0	0	0	108.4	V418 Q487 V491	P416-V418 PolarHBondContact O-N 3.42Å; P416-Q487 HydrophobicContact CB-CB 4.46Å; P416-Q487 HydrophobicContact CG-CB 4.2Å; P416-V491 HydrophobicContact CG-CG2 4.13Å
417	G	66.6	Low	64.3	Low	22 Å²	22	80 Å²	80	23%	0.227	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-55.8	132	175.8	0	0	0	0	0	108.6	S415 L419 S420	S415-G417 PolarHBondContact O-N 2.83Å; S415-G417 VanDerWaalsContact O-N 3.08Å; G417-L419 PolarHBondContact O-N 3.43Å; G417-S420 WeakPolarHBondContact O-CB 3.35Å; G417-S420 PolarHBondContact O-N 2.99Å; G417-S420 PolarHBondContact O-OG 3.38Å
418	V	72.5	Confident	66.6	Low	118 Å²	118	72.3 Å²	72.3	72%	0.715	43%	0.43	S	S	*	.	H	α-helix	trans	-51.4	-31.7	179.2	175.2	0	0	0	0	111.1	P416 S420 V421 L422	P416-V418 PolarHBondContact O-N 3.42Å; V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 3.32Å; V418-V421 PolarHBondContact O-N 2.83Å; V418-L422 VanDerWaalsContact O-CB 3.32Å; V418-L422 WeakPolarHBondContact O-CB 3.25Å; V418-L422 PolarHBondContact O-N 3.32Å
419	L	76.1	Confident	69.6	Low	96 Å²	96	71.9 Å²	71.9	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-37.8	176.6	-166.4	66.5	0	0	0	113.2	G417 V421 L422 T423 L480	G417-L419 PolarHBondContact O-N 3.43Å; L419-V421 PolarHBondContact O-N 2.78Å; L419-L422 PolarHBondContact O-N 2.9Å; L419-T423 WeakPolarHBondContact CD1-OG1 3.38Å; L419-T423 VanDerWaalsContact O-CB 3.29Å; L419-T423 WeakPolarHBondContact O-CB 3.3Å; L419-T423 PolarHBondContact O-N 3.15Å; L419-T423 PolarHBondContact O-OG1 3.38Å; L419-L480 HydrophobicContact CG-CD2 4.23Å
420	S	75.6	Confident	72.6	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	40%	0.396	C	S	.	.	H	α-helix	trans	-59.3	-31.6	179.5	69.1	0	0	0	0	113.1	G417 V418 P424 W614	G417-S420 WeakPolarHBondContact O-CB 3.35Å; G417-S420 PolarHBondContact O-N 2.99Å; G417-S420 PolarHBondContact O-OG 3.38Å; V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 3.32Å; S420-P424 WeakPolarHBondContact O-CD 3.32Å; S420-P424 VanDerWaalsContact O-CG 3.23Å; S420-P424 WeakPolarHBondContact O-CG 3.44Å; S420-W614 WeakPolarHBondContact O-CH2 3.35Å
421	V	80.1	Confident	75.3	Confident	25 Å²	25	62.6 Å²	62.6	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-94.7	-40	178.7	-178.6	0	0	0	0	111.3	V418 L419 P424 L425 V491 L492 V495	V418-V421 PolarHBondContact O-N 2.83Å; L419-V421 PolarHBondContact O-N 2.78Å; V421-P424 WeakPolarHBondContact O-CD 3.45Å; V421-P424 WeakPolarHBondContact O-CG 2.97Å; V421-L425 WeakPolarHBondContact O-CB 3.22Å; V421-L425 PolarHBondContact O-N 3.47Å; V421-V491 HydrophobicContact CG1-CG1 4.43Å; V421-V491 HydrophobicContact CG2-CB 4.06Å; V421-V491 HydrophobicContact CG2-CG1 3.72Å; V421-L492 HydrophobicContact CG1-CD1 4.17Å; V421-V495 HydrophobicContact CG1-CG2 4.45Å
422	L	85.8	Confident	78	Confident	87 Å²	87	58.5 Å²	58.5	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-69.9	-40.4	-175	-173	63.3	0	0	0	112.5	V418 L419 L425 V426	V418-L422 VanDerWaalsContact O-CB 3.32Å; V418-L422 WeakPolarHBondContact O-CB 3.25Å; V418-L422 PolarHBondContact O-N 3.32Å; L419-L422 PolarHBondContact O-N 2.9Å; L422-L425 HydrophobicContact CD1-CD2 4.41Å; L422-L425 WeakPolarHBondContact O-CB 3.42Å; L422-L425 PolarHBondContact O-N 3.19Å; L422-V426 HydrophobicContact CD1-CG2 3.94Å; L422-V426 HydrophobicContact CG-CG2 4.11Å; L422-V426 WeakPolarHBondContact O-CB 3.4Å; L422-V426 VanDerWaalsContact O-CG2 3.31Å; L422-V426 WeakPolarHBondContact O-CG2 3.39Å; L422-V426 PolarHBondContact O-N 3.33Å
423	T	86.9	Confident	80.9	Confident	11 Å²	11	51.4 Å²	51.4	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-54.8	-179.8	-63.7	0	0	0	0	113.2	L419 L425 V426 I427 L479 L480	L419-T423 WeakPolarHBondContact CD1-OG1 3.38Å; L419-T423 VanDerWaalsContact O-CB 3.29Å; L419-T423 WeakPolarHBondContact O-CB 3.3Å; L419-T423 PolarHBondContact O-N 3.15Å; L419-T423 PolarHBondContact O-OG1 3.38Å; T423-L425 VanDerWaalsContact C-N 3.28Å; T423-L425 PolarHBondContact O-N 2.96Å; T423-V426 PolarHBondContact O-N 3.1Å; T423-I427 HydrophobicContact CG2-CD1 3.61Å; T423-I427 HydrophobicContact CG2-CG1 4.46Å; T423-I427 WeakPolarHBondContact O-CB 3.46Å; T423-I427 VanDerWaalsContact O-CG1 3.31Å; T423-I427 WeakPolarHBondContact O-CG1 3.48Å; T423-I427 PolarHBondContact O-N 3.11Å; T423-L479 HydrophobicContact CG2-CB 4.43Å; T423-L479 HydrophobicContact CG2-CD2 3.74Å; T423-L480 HydrophobicContact CG2-CD2 4.5Å; T423-L480 HydrophobicContact CG2-CG 4.4Å
424	P	88.8	Confident	83.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-33.3	178	24	-32.8	0	0	0	112.3	S420 V421 S428 T476 L492 W614	S420-P424 WeakPolarHBondContact O-CD 3.32Å; S420-P424 VanDerWaalsContact O-CG 3.23Å; S420-P424 WeakPolarHBondContact O-CG 3.44Å; V421-P424 WeakPolarHBondContact O-CD 3.45Å; V421-P424 WeakPolarHBondContact O-CG 2.97Å; P424-S428 VanDerWaalsContact O-CB 3.24Å; P424-S428 WeakPolarHBondContact O-CB 3.37Å; P424-S428 PolarHBondContact O-N 2.85Å; P424-S428 PolarHBondContact O-OG 2.87Å; P424-T476 HydrophobicContact CB-CG2 4.24Å; P424-L492 HydrophobicContact CB-CD2 4.1Å; P424-L492 HydrophobicContact CG-CD1 3.94Å; P424-L492 HydrophobicContact CG-CD2 3.73Å; P424-L492 HydrophobicContact CG-CG 4.49Å; P424-W614 HydrophobicContact CG-CZ3 4.47Å
425	L	91.5	Very high	85.4	Confident	50 Å²	50	43.7 Å²	43.7	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-53.5	174.8	-171.6	108.9	0	0	0	111.7	V421 L422 T423 S428 H429 V495 L607	V421-L425 WeakPolarHBondContact O-CB 3.22Å; V421-L425 PolarHBondContact O-N 3.47Å; L422-L425 HydrophobicContact CD1-CD2 4.41Å; L422-L425 WeakPolarHBondContact O-CB 3.42Å; L422-L425 PolarHBondContact O-N 3.19Å; T423-L425 VanDerWaalsContact C-N 3.28Å; T423-L425 PolarHBondContact O-N 2.96Å; L425-S428 PolarHBondContact O-N 3.5Å; L425-H429 PolarHBondContact O-N 2.93Å; L425-H429 VanDerWaalsContact O-N 3.14Å; L425-H429 PolarHBondContact O-ND1 3.06Å; L425-V495 HydrophobicContact CD1-CG1 4.08Å; L425-L607 HydrophobicContact CD1-CD1 4.34Å
426	V	92	Very high	87.3	Confident	65 Å²	65	41.9 Å²	41.9	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-47.5	-178.2	172.1	0	0	0	0	110.9	L422 T423 S428 H429 L430	L422-V426 HydrophobicContact CD1-CG2 3.94Å; L422-V426 HydrophobicContact CG-CG2 4.11Å; L422-V426 WeakPolarHBondContact O-CB 3.4Å; L422-V426 VanDerWaalsContact O-CG2 3.31Å; L422-V426 WeakPolarHBondContact O-CG2 3.39Å; L422-V426 PolarHBondContact O-N 3.33Å; T423-V426 PolarHBondContact O-N 3.1Å; V426-S428 VanDerWaalsContact C-N 3.29Å; V426-S428 PolarHBondContact O-N 3.41Å; V426-H429 PolarHBondContact O-N 3.47Å; V426-L430 HydrophobicContact CG1-CD1 3.85Å; V426-L430 HydrophobicContact CG1-CG 4.16Å; V426-L430 WeakPolarHBondContact O-CB 2.84Å; V426-L430 WeakPolarHBondContact O-CG 3.3Å; V426-L430 PolarHBondContact O-N 2.92Å
427	I	91.8	Very high	88.9	Confident	44 Å²	44	44.1 Å²	44.1	23%	0.226	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-38.8	-179.4	-64.9	172.1	0	0	0	110.7	T423 H429 L430 T431 L472 T476	T423-I427 HydrophobicContact CG2-CD1 3.61Å; T423-I427 HydrophobicContact CG2-CG1 4.46Å; T423-I427 WeakPolarHBondContact O-CB 3.46Å; T423-I427 VanDerWaalsContact O-CG1 3.31Å; T423-I427 WeakPolarHBondContact O-CG1 3.48Å; T423-I427 PolarHBondContact O-N 3.11Å; I427-H429 PolarHBondContact O-N 2.78Å; I427-L430 PolarHBondContact O-N 3.41Å; I427-T431 WeakPolarHBondContact O-CB 3.38Å; I427-T431 PolarHBondContact O-N 3.19Å; I427-T431 PolarHBondContact O-OG1 2.87Å; I427-L472 HydrophobicContact CG2-CD1 3.7Å; I427-L472 HydrophobicContact CG2-CD2 4.38Å; I427-L472 HydrophobicContact CG2-CG 3.78Å; I427-T476 HydrophobicContact CD1-CG2 3.95Å
428	S	94.1	Very high	90.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-42	176.9	-58.3	0	0	0	0	111.9	P424 L425 V426 T431 G432 P603 L607	P424-S428 VanDerWaalsContact O-CB 3.24Å; P424-S428 WeakPolarHBondContact O-CB 3.37Å; P424-S428 PolarHBondContact O-N 2.85Å; P424-S428 PolarHBondContact O-OG 2.87Å; L425-S428 PolarHBondContact O-N 3.5Å; V426-S428 VanDerWaalsContact C-N 3.29Å; V426-S428 PolarHBondContact O-N 3.41Å; S428-T431 PolarHBondContact O-N 3.3Å; S428-G432 PolarHBondContact O-N 3.48Å; S428-P603 WeakPolarHBondContact O-CG 3.32Å; S428-L607 WeakPolarHBondContact OG-CD2 3.31Å
429	H	95.8	Very high	91.3	Very high	63 Å²	63	40 Å²	40	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-73.2	-35.1	177.9	-72.3	70.8	0	0	0	112.6	L425 V426 I427 T431 G432 A433 Y499	L425-H429 PolarHBondContact O-N 2.93Å; L425-H429 VanDerWaalsContact O-N 3.14Å; L425-H429 PolarHBondContact O-ND1 3.06Å; V426-H429 PolarHBondContact O-N 3.47Å; I427-H429 PolarHBondContact O-N 2.78Å; H429-T431 VanDerWaalsContact C-N 3.3Å; H429-T431 PolarHBondContact O-N 3.47Å; H429-G432 PolarHBondContact O-N 3.02Å; H429-A433 WeakPolarHBondContact O-CB 3.33Å; H429-A433 PolarHBondContact O-N 2.86Å; H429-Y499 AromaticContact CE1-CE1 3.81Å; H429-Y499 AromaticContact NE2-CE1 3.74Å; H429-Y499 AromaticContact NE2-CZ 3.89Å; H429-Y499 PolarHBondContact NE2-OH 2.86Å
430	L	95.4	Very high	91.9	Very high	112 Å²	112	36.2 Å²	36.2	59%	0.586	20%	0.198	S	C	*	.	H	α-helix	trans	-62.5	-38.9	170.4	-71.7	176.1	0	0	0	111.3	V426 I427 A433 A434	V426-L430 HydrophobicContact CG1-CD1 3.85Å; V426-L430 HydrophobicContact CG1-CG 4.16Å; V426-L430 WeakPolarHBondContact O-CB 2.84Å; V426-L430 WeakPolarHBondContact O-CG 3.3Å; V426-L430 PolarHBondContact O-N 2.92Å; I427-L430 PolarHBondContact O-N 3.41Å; L430-A433 PolarHBondContact O-N 3.45Å; L430-A434 WeakPolarHBondContact O-CB 3.45Å; L430-A434 PolarHBondContact O-N 3.11Å
431	T	95.5	Very high	92.6	Very high	24 Å²	24	45.3 Å²	45.3	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-39.7	174.5	-49.3	0	0	0	0	111.1	I427 S428 H429 A434 L435 Y602 L606	I427-T431 WeakPolarHBondContact O-CB 3.38Å; I427-T431 PolarHBondContact O-N 3.19Å; I427-T431 PolarHBondContact O-OG1 2.87Å; S428-T431 PolarHBondContact O-N 3.3Å; H429-T431 VanDerWaalsContact C-N 3.3Å; H429-T431 PolarHBondContact O-N 3.47Å; T431-A434 WeakPolarHBondContact O-CB 3.28Å; T431-A434 PolarHBondContact O-N 3.16Å; T431-L435 PolarHBondContact O-N 3.34Å; T431-Y602 HydrophobicContact CG2-CE1 4.03Å; T431-L606 HydrophobicContact CG2-CD1 3.99Å
432	G	96.9	Very high	92.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-41.8	172.8	0	0	0	0	0	113.8	S428 H429 A434 L435 Y436 A598	S428-G432 PolarHBondContact O-N 3.48Å; H429-G432 PolarHBondContact O-N 3.02Å; G432-A434 VanDerWaalsContact C-N 3.32Å; G432-A434 PolarHBondContact O-N 3.38Å; G432-L435 WeakPolarHBondContact O-CB 3.21Å; G432-L435 PolarHBondContact O-N 3.23Å; G432-Y436 PolarHBondContact O-N 3.1Å; G432-A598 CarbonylContact C-O 3.57Å; G432-A598 WeakPolarHBondContact CA-O 3.28Å
433	A	97.3	Very high	92.9	Very high	31 Å²	31	45 Å²	45	26%	0.256	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-38.9	173.9	0	0	0	0	0	111.6	H429 L430 Y436 I437 L599	H429-A433 WeakPolarHBondContact O-CB 3.33Å; H429-A433 PolarHBondContact O-N 2.86Å; L430-A433 PolarHBondContact O-N 3.45Å; A433-Y436 PolarHBondContact O-N 3.44Å; A433-I437 WeakPolarHBondContact O-CB 3.18Å; A433-I437 VanDerWaalsContact O-CG1 3.3Å; A433-I437 WeakPolarHBondContact O-CG1 3.38Å; A433-I437 PolarHBondContact O-N 2.69Å; A433-L599 HydrophobicContact CB-CD2 4.42Å
434	A	96.7	Very high	92.7	Very high	27 Å²	27	50.9 Å²	50.9	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-44	171.8	0	0	0	0	0	111.2	L430 T431 G432 Y436 I437 L438 V465	L430-A434 WeakPolarHBondContact O-CB 3.45Å; L430-A434 PolarHBondContact O-N 3.11Å; T431-A434 WeakPolarHBondContact O-CB 3.28Å; T431-A434 PolarHBondContact O-N 3.16Å; G432-A434 VanDerWaalsContact C-N 3.32Å; G432-A434 PolarHBondContact O-N 3.38Å; A434-Y436 VanDerWaalsContact C-N 3.26Å; A434-Y436 PolarHBondContact O-N 2.96Å; A434-I437 PolarHBondContact O-N 3.07Å; A434-L438 HydrophobicContact CB-CD1 3.75Å; A434-L438 HydrophobicContact CB-CG 4.16Å; A434-L438 WeakPolarHBondContact O-CB 3.44Å; A434-L438 VanDerWaalsContact O-CG 3.22Å; A434-L438 WeakPolarHBondContact O-CG 3.09Å; A434-L438 PolarHBondContact O-N 3.39Å; A434-V465 HydrophobicContact CB-CG1 4.09Å
435	L	96.7	Very high	92.6	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-37.3	175.8	-179.3	59.7	0	0	0	111.4	T431 G432 P439 A462 V465 Y466 Y594 A598 Y602	T431-L435 PolarHBondContact O-N 3.34Å; G432-L435 WeakPolarHBondContact O-CB 3.21Å; G432-L435 PolarHBondContact O-N 3.23Å; L435-P439 WeakPolarHBondContact O-CD 3.43Å; L435-P439 WeakPolarHBondContact O-CG 3.39Å; L435-A462 HydrophobicContact CD1-CB 4.04Å; L435-A462 WeakPolarHBondContact CD1-O 3.16Å; L435-V465 HydrophobicContact CB-CG1 3.97Å; L435-V465 HydrophobicContact CD1-CB 4.33Å; L435-V465 HydrophobicContact CD1-CG1 4.44Å; L435-Y466 HydrophobicContact CD2-CD2 4.1Å; L435-Y594 PolarHBondContact O-OH 3.02Å; L435-A598 HydrophobicContact CB-CB 4.4Å; L435-A598 HydrophobicContact CD2-CB 4.14Å; L435-A598 HydrophobicContact CG-CB 4.07Å; L435-Y602 HydrophobicContact CD2-CD1 3.56Å; L435-Y602 HydrophobicContact CD2-CE1 4.01Å; L435-Y602 HydrophobicContact CD2-CG 4.16Å
436	Y	96.6	Very high	92.2	Very high	58 Å²	58	53.1 Å²	53.1	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-71.3	-42.7	178.1	177.9	-110.2	0	0	0	113.2	G432 A433 A434 H586 Y594 P595 L599	G432-Y436 PolarHBondContact O-N 3.1Å; A433-Y436 PolarHBondContact O-N 3.44Å; A434-Y436 VanDerWaalsContact C-N 3.26Å; A434-Y436 PolarHBondContact O-N 2.96Å; Y436-H586 AromaticContact CE2-NE2 3.72Å; Y436-H586 AromaticContact CZ-NE2 3.83Å; Y436-H586 PolarHBondContact OH-NE2 2.85Å; Y436-Y594 WeakPolarHBondContact CA-OH 3.43Å; Y436-Y594 AromaticContact CD2-CD1 3.99Å; Y436-Y594 HydrophobicContact CD2-CD1 3.99Å; Y436-Y594 AromaticContact CD2-CE1 3.55Å; Y436-Y594 HydrophobicContact CD2-CE1 3.55Å; Y436-Y594 HydrophobicContact CE2-CD1 4.15Å; Y436-Y594 AromaticContact CE2-CE1 3.99Å; Y436-Y594 HydrophobicContact CE2-CE1 3.99Å; Y436-Y594 PolarHBondContact O-OH 2.95Å; Y436-P595 HydrophobicContact CD2-CB 4.31Å; Y436-P595 HydrophobicContact CE2-CB 3.94Å; Y436-L599 HydrophobicContact CD1-CD1 4.37Å; Y436-L599 HydrophobicContact CD1-CD2 4.18Å; Y436-L599 HydrophobicContact CD2-CD1 4.46Å; Y436-L599 HydrophobicContact CD2-CG 4.46Å; Y436-L599 HydrophobicContact CG-CD1 4.29Å; Y436-L599 HydrophobicContact CG-CD2 3.94Å; Y436-L599 HydrophobicContact CG-CG 4.15Å
437	I	95.1	Very high	91.9	Very high	82 Å²	82	52.7 Å²	52.7	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-93.6	-43.8	-168.9	-61.5	171.7	0	0	0	113.2	A433 A434 T440 R441	A433-I437 WeakPolarHBondContact O-CB 3.18Å; A433-I437 VanDerWaalsContact O-CG1 3.3Å; A433-I437 WeakPolarHBondContact O-CG1 3.38Å; A433-I437 PolarHBondContact O-N 2.69Å; A434-I437 PolarHBondContact O-N 3.07Å; I437-T440 PolarHBondContact O-OG1 3.38Å; I437-R441 HydrophobicContact CG2-CG 3.79Å; I437-R441 WeakPolarHBondContact O-CB 3.39Å; I437-R441 VanDerWaalsContact O-CG 3.3Å; I437-R441 WeakPolarHBondContact O-CG 3.46Å; I437-R441 PolarHBondContact O-N 3.08Å
438	L	94.6	Very high	91.7	Very high	53 Å²	53	58 Å²	58	28%	0.277	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-43	-169.1	-62.3	179.5	0	0	0	113.6	A434 T440 R441 F442 T461 V465	A434-L438 HydrophobicContact CB-CD1 3.75Å; A434-L438 HydrophobicContact CB-CG 4.16Å; A434-L438 WeakPolarHBondContact O-CB 3.44Å; A434-L438 VanDerWaalsContact O-CG 3.22Å; A434-L438 WeakPolarHBondContact O-CG 3.09Å; A434-L438 PolarHBondContact O-N 3.39Å; L438-T440 VanDerWaalsContact C-N 3.3Å; L438-T440 PolarHBondContact O-N 3.31Å; L438-R441 PolarHBondContact O-N 3.32Å; L438-R441 VanDerWaalsContact O-N 3.12Å; L438-F442 HydrophobicContact CB-CD2 4.1Å; L438-F442 HydrophobicContact CD2-CD2 3.46Å; L438-F442 VanDerWaalsContact CD2-CD2 3.46Å; L438-F442 HydrophobicContact CD2-CE2 3.16Å; L438-F442 HydrophobicContact CD2-CZ 4.14Å; L438-F442 HydrophobicContact CG-CD2 4.37Å; L438-F442 HydrophobicContact CG-CE2 4.44Å; L438-F442 WeakPolarHBondContact O-CB 3.39Å; L438-F442 PolarHBondContact O-N 3.25Å; L438-T461 HydrophobicContact CB-CG2 4.24Å; L438-V465 HydrophobicContact CB-CG2 4.4Å; L438-V465 HydrophobicContact CD1-CG2 3.8Å
439	P	93.4	Very high	91.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-52.4	-45.7	-175.5	-31.4	39	0	0	0	113.7	L435 V458 T461 A462	L435-P439 WeakPolarHBondContact O-CD 3.43Å; L435-P439 WeakPolarHBondContact O-CG 3.39Å; P439-V458 HydrophobicContact CB-CG1 3.85Å; P439-V458 WeakPolarHBondContact O-CG2 3.22Å; P439-T461 HydrophobicContact CG-CG2 4.45Å; P439-A462 HydrophobicContact CB-CB 4.36Å; P439-A462 HydrophobicContact CG-CB 3.87Å
440	T	90.4	Very high	90.9	Very high	17 Å²	17	67.6 Å²	67.6	10%	0.104	33%	0.329	C	S	.	.	H	α-helix	trans	-84.1	-24.7	-178.8	58.3	0	0	0	0	113.6	F114 I437 L438 Q443 I583 Y587	F114-T440 HydrophobicContact CD1-CG2 4.29Å; F114-T440 HydrophobicContact CE1-CG2 4.09Å; I437-T440 PolarHBondContact O-OG1 3.38Å; L438-T440 VanDerWaalsContact C-N 3.3Å; L438-T440 PolarHBondContact O-N 3.31Å; T440-Q443 PolarHBondContact O-OE1 2.92Å; T440-I583 HydrophobicContact CG2-CG2 4.03Å; T440-Y587 HydrophobicContact CG2-CE2 3.65Å; T440-Y587 PolarHBondContact OG1-OH 3.25Å
441	R	90.2	Very high	90.5	Very high	191 Å²	191	68.9 Å²	68.9	72%	0.721	35%	0.345	S	S	*	.	H	α-helix	trans	-85.3	-29.1	-176.9	-71.8	-67.2	-170.3	164.1	0.8	113.3	I437 L438	I437-R441 HydrophobicContact CG2-CG 3.79Å; I437-R441 WeakPolarHBondContact O-CB 3.39Å; I437-R441 VanDerWaalsContact O-CG 3.3Å; I437-R441 WeakPolarHBondContact O-CG 3.46Å; I437-R441 PolarHBondContact O-N 3.08Å; L438-R441 PolarHBondContact O-N 3.32Å; L438-R441 VanDerWaalsContact O-N 3.12Å
442	F	85.8	Confident	90.1	Very high	97 Å²	97	69.6 Å²	69.6	43%	0.425	35%	0.349	S	S	.	.	S	Bend	trans	-100.1	0.5	-176.2	-80.1	-92.4	0	0	0	113.7	L438 E444 I445 A446	L438-F442 HydrophobicContact CB-CD2 4.1Å; L438-F442 HydrophobicContact CD2-CD2 3.46Å; L438-F442 VanDerWaalsContact CD2-CD2 3.46Å; L438-F442 HydrophobicContact CD2-CE2 3.16Å; L438-F442 HydrophobicContact CD2-CZ 4.14Å; L438-F442 HydrophobicContact CG-CD2 4.37Å; L438-F442 HydrophobicContact CG-CE2 4.44Å; L438-F442 WeakPolarHBondContact O-CB 3.39Å; L438-F442 PolarHBondContact O-N 3.25Å; F442-E444 VanDerWaalsContact C-N 3.34Å; F442-E444 PolarHBondContact O-N 3.41Å; F442-I445 HydrophobicContact CD1-CD1 3.87Å; F442-I445 HydrophobicContact CE1-CD1 4.06Å; F442-I445 PolarHBondContact O-N 2.87Å; F442-A446 WeakPolarHBondContact O-CB 3.31Å; F442-A446 PolarHBondContact O-N 2.96Å
443	Q	86.2	Confident	89.6	Confident	10 Å²	10	71.9 Å²	71.9	5%	0.047	37%	0.365	C	S	.	.	H	α-helix	trans	-57.2	-43.6	-178.6	71.5	-169.2	24.7	0	0	112.6	P113 T440 I445 A446 V447 A457 V458	P113-Q443 PolarHBondContact O-NE2 2.83Å; T440-Q443 PolarHBondContact O-OE1 2.92Å; Q443-I445 PolarHBondContact O-N 2.87Å; Q443-A446 PolarHBondContact O-N 2.92Å; Q443-V447 WeakPolarHBondContact O-CG2 3.42Å; Q443-V447 PolarHBondContact O-N 3.29Å; Q443-A457 HydrophobicContact CB-CB 4.49Å; Q443-V458 HydrophobicContact CB-CG2 3.94Å; Q443-V458 VanDerWaalsContact OE1-CG2 3.3Å
444	E	82.6	Confident	89	Confident	133 Å²	133	71.6 Å²	71.6	62%	0.621	36%	0.358	S	S	*	.	H	α-helix	trans	-62.9	-47.4	-179	-66.5	178	-180	0	0	110.8	F442 A446 V447 E448	F442-E444 VanDerWaalsContact C-N 3.34Å; F442-E444 PolarHBondContact O-N 3.41Å; E444-A446 VanDerWaalsContact C-N 3.3Å; E444-A446 PolarHBondContact O-N 3.1Å; E444-V447 PolarHBondContact O-N 3.24Å; E444-E448 WeakPolarHBondContact O-CG 3.34Å; E444-E448 PolarHBondContact O-N 3.41Å; E444-E448 VanDerWaalsContact O-N 3.08Å
445	I	85.3	Confident	88.6	Confident	82 Å²	82	70.9 Å²	70.9	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-40.2	177.5	-61.4	170.2	0	0	0	110.5	F442 Q443 E448 H449	F442-I445 HydrophobicContact CD1-CD1 3.87Å; F442-I445 HydrophobicContact CE1-CD1 4.06Å; F442-I445 PolarHBondContact O-N 2.87Å; Q443-I445 PolarHBondContact O-N 2.87Å; I445-E448 PolarHBondContact O-N 2.96Å; I445-H449 PolarHBondContact O-N 2.88Å; I445-H449 PolarHBondContact O-ND1 2.71Å
446	A	83.6	Confident	88.3	Confident	15 Å²	15	75.1 Å²	75.1	12%	0.124	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-42.2	179.8	0	0	0	0	0	111.9	F442 Q443 E444 E448 H449 F450 A457	F442-A446 WeakPolarHBondContact O-CB 3.31Å; F442-A446 PolarHBondContact O-N 2.96Å; Q443-A446 PolarHBondContact O-N 2.92Å; E444-A446 VanDerWaalsContact C-N 3.3Å; E444-A446 PolarHBondContact O-N 3.1Å; A446-E448 VanDerWaalsContact C-N 3.33Å; A446-E448 PolarHBondContact O-N 2.76Å; A446-H449 PolarHBondContact O-N 3.21Å; A446-F450 WeakPolarHBondContact O-CB 3.24Å; A446-F450 WeakPolarHBondContact O-CD2 3.41Å; A446-F450 PolarHBondContact O-N 2.9Å; A446-A457 HydrophobicContact CB-CB 3.87Å
447	V	85.1	Confident	88	Confident	56 Å²	56	72.5 Å²	72.5	34%	0.339	36%	0.361	S	S	.	.	H	α-helix	trans	-67.6	-32.3	177.4	174.2	0	0	0	0	112	Q443 E444 H449 F450 E454 A457	Q443-V447 WeakPolarHBondContact O-CG2 3.42Å; Q443-V447 PolarHBondContact O-N 3.29Å; E444-V447 PolarHBondContact O-N 3.24Å; V447-H449 VanDerWaalsContact C-N 3.3Å; V447-H449 PolarHBondContact O-N 3.04Å; V447-F450 VanDerWaalsContact O-O 3.04Å; V447-E454 HydrophobicContact CG2-CB 4.41Å; V447-E454 HydrophobicContact CG2-CG 3.7Å; V447-A457 HydrophobicContact CG2-CB 4.11Å
448	E	87.8	Confident	87.9	Confident	155 Å²	155	68.6 Å²	68.6	72%	0.724	34%	0.341	S	S	*	.	H	α-helix	trans	-64.9	-33.3	174	-74.9	-179.4	170.9	0	0	113.1	E444 I445 A446	E444-E448 WeakPolarHBondContact O-CG 3.34Å; E444-E448 PolarHBondContact O-N 3.41Å; E444-E448 VanDerWaalsContact O-N 3.08Å; I445-E448 PolarHBondContact O-N 2.96Å; A446-E448 VanDerWaalsContact C-N 3.33Å; A446-E448 PolarHBondContact O-N 2.76Å
449	H	87.9	Confident	87.8	Confident	131 Å²	131	66.3 Å²	66.3	61%	0.606	33%	0.329	S	S	*	.	H	α-helix	trans	-99.6	-23	-173.6	-67.2	76.9	0	0	0	113.7	I445 A446 V447	I445-H449 PolarHBondContact O-N 2.88Å; I445-H449 PolarHBondContact O-ND1 2.71Å; A446-H449 PolarHBondContact O-N 3.21Å; V447-H449 VanDerWaalsContact C-N 3.3Å; V447-H449 PolarHBondContact O-N 3.04Å
450	F	86.1	Confident	87.8	Confident	134 Å²	134	70.7 Å²	70.7	59%	0.588	35%	0.352	S	S	*	.	S	Bend	trans	-128.3	142.9	-176	-60.4	-76.5	0	0	0	111.4	A446 V447 V452	A446-F450 WeakPolarHBondContact O-CB 3.24Å; A446-F450 WeakPolarHBondContact O-CD2 3.41Å; A446-F450 PolarHBondContact O-N 2.9Å; V447-F450 VanDerWaalsContact O-O 3.04Å; F450-V452 HydrophobicContact CB-CG2 4.01Å; F450-V452 PolarHBondContact O-N 3.49Å
451	P	86.8	Confident	88	Confident	140 Å²	140	71.1 Å²	71.1	91%	0.909	36%	0.355	S	S	*	.	S	Bend	trans	-78.7	64.9	178.2	34.8	-36.5	0	0	0	111
452	V	86.3	Confident	88.2	Confident	38 Å²	38	62.4 Å²	62.4	23%	0.23	32%	0.324	C	S	.	.			trans	-127.5	153.2	179.1	-65.5	0	0	0	0	109.9	F450 E456 A457 L460	F450-V452 HydrophobicContact CB-CG2 4.01Å; F450-V452 PolarHBondContact O-N 3.49Å; V452-E456 HydrophobicContact CB-CB 4.17Å; V452-A457 HydrophobicContact CG2-CB 4.04Å; V452-L460 HydrophobicContact CG1-CD1 4.11Å
453	S	87	Confident	88.7	Confident	49 Å²	49	60.1 Å²	60.1	34%	0.343	32%	0.315	S	S	.	.			trans	-70.3	162.4	168.8	61.3	0	0	0	0	111.1	T455 E456 A457	S453-T455 VanDerWaalsContact C-N 3.34Å; S453-T455 PolarHBondContact O-N 3.4Å; S453-T455 PolarHBondContact OG-OG1 3.47Å; S453-T455 VanDerWaalsContact OG-OG1 3.1Å; S453-E456 PolarHBondContact N-OE2 2.71Å; S453-E456 PolarHBondContact O-N 3.31Å; S453-E456 WeakPolarHBondContact OG-CB 3.49Å; S453-E456 WeakPolarHBondContact OG-CG 3.14Å; S453-E456 PolarHBondContact OG-N 3.03Å; S453-E456 PolarHBondContact OG-OE2 2.71Å; S453-A457 WeakPolarHBondContact O-CB 3.05Å; S453-A457 PolarHBondContact O-N 2.8Å
454	E	85.6	Confident	89.1	Confident	25 Å²	25	62.2 Å²	62.2	12%	0.117	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-37.7	177.6	-77.2	-172.1	-169.8	0	0	113.2	F114 P115 Y122 V447 A457 V458	F114-E454 HydrophobicContact CB-CB 4.35Å; P115-E454 WeakPolarHBondContact CD-OE2 3.38Å; P115-E454 HydrophobicContact CG-CB 4.16Å; Y122-E454 WeakPolarHBondContact CE1-OE1 3.32Å; Y122-E454 WeakPolarHBondContact CE1-OE2 3.36Å; Y122-E454 PolarHBondContact OH-OE1 3.23Å; Y122-E454 PolarHBondContact OH-OE2 2.94Å; Y122-E454 VanDerWaalsContact OH-OE2 3.06Å; V447-E454 HydrophobicContact CG2-CB 4.41Å; V447-E454 HydrophobicContact CG2-CG 3.7Å; E454-A457 WeakPolarHBondContact O-CB 3.18Å; E454-A457 PolarHBondContact O-N 3.24Å; E454-V458 VanDerWaalsContact O-CG2 3.25Å; E454-V458 WeakPolarHBondContact O-CG2 3.42Å; E454-V458 PolarHBondContact O-N 2.98Å
455	T	87.6	Confident	89.7	Confident	12 Å²	12	56.8 Å²	56.8	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-47.9	175.2	44.2	0	0	0	0	110.9	F114 P115 E117 S453 A457 V458 V459	F114-T455 HydrophobicContact CD2-CG2 3.89Å; F114-T455 HydrophobicContact CE2-CG2 4.45Å; P115-T455 WeakPolarHBondContact O-CG2 3.37Å; E117-T455 HydrophobicContact CG-CG2 3.8Å; S453-T455 VanDerWaalsContact C-N 3.34Å; S453-T455 PolarHBondContact O-N 3.4Å; S453-T455 PolarHBondContact OG-OG1 3.47Å; S453-T455 VanDerWaalsContact OG-OG1 3.1Å; T455-A457 VanDerWaalsContact C-N 3.33Å; T455-A457 PolarHBondContact O-N 2.79Å; T455-V458 PolarHBondContact O-N 3.24Å; T455-V459 WeakPolarHBondContact O-CG2 3.28Å; T455-V459 PolarHBondContact O-N 3.07Å
456	E	89.6	Confident	90.1	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-42.2	174.5	-71.3	167	152.1	0	0	111	V452 S453 V458 V459 L460	V452-E456 HydrophobicContact CB-CB 4.17Å; S453-E456 PolarHBondContact N-OE2 2.71Å; S453-E456 PolarHBondContact O-N 3.31Å; S453-E456 WeakPolarHBondContact OG-CB 3.49Å; S453-E456 WeakPolarHBondContact OG-CG 3.14Å; S453-E456 PolarHBondContact OG-N 3.03Å; S453-E456 PolarHBondContact OG-OE2 2.71Å; E456-V458 VanDerWaalsContact C-N 3.34Å; E456-V458 PolarHBondContact O-N 2.78Å; E456-V459 PolarHBondContact O-N 2.83Å; E456-L460 WeakPolarHBondContact O-CB 3.46Å; E456-L460 WeakPolarHBondContact O-CG 3.38Å; E456-L460 PolarHBondContact O-N 3.34Å
457	A	91.4	Very high	90.6	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-43.3	177.3	0	0	0	0	0	112.1	Q443 A446 V447 V452 S453 E454 T455 T461	Q443-A457 HydrophobicContact CB-CB 4.49Å; A446-A457 HydrophobicContact CB-CB 3.87Å; V447-A457 HydrophobicContact CG2-CB 4.11Å; V452-A457 HydrophobicContact CG2-CB 4.04Å; S453-A457 WeakPolarHBondContact O-CB 3.05Å; S453-A457 PolarHBondContact O-N 2.8Å; E454-A457 WeakPolarHBondContact O-CB 3.18Å; E454-A457 PolarHBondContact O-N 3.24Å; T455-A457 VanDerWaalsContact C-N 3.33Å; T455-A457 PolarHBondContact O-N 2.79Å; A457-T461 WeakPolarHBondContact O-CB 3.29Å; A457-T461 PolarHBondContact O-N 3.48Å; A457-T461 PolarHBondContact O-OG1 3.08Å
458	V	92.3	Very high	91	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-50.8	175.8	170.9	0	0	0	0	110.3	F114 P439 Q443 E454 T455 E456 T461 A462 I583	F114-V458 HydrophobicContact CB-CG2 4.27Å; F114-V458 HydrophobicContact CD1-CG1 4.37Å; F114-V458 HydrophobicContact CD1-CG2 3.73Å; F114-V458 HydrophobicContact CE1-CG1 3.99Å; F114-V458 HydrophobicContact CE1-CG2 4.19Å; F114-V458 HydrophobicContact CG-CG2 3.96Å; F114-V458 HydrophobicContact CZ-CG1 4.21Å; P439-V458 HydrophobicContact CB-CG1 3.85Å; P439-V458 WeakPolarHBondContact O-CG2 3.22Å; Q443-V458 HydrophobicContact CB-CG2 3.94Å; Q443-V458 VanDerWaalsContact OE1-CG2 3.3Å; E454-V458 VanDerWaalsContact O-CG2 3.25Å; E454-V458 WeakPolarHBondContact O-CG2 3.42Å; E454-V458 PolarHBondContact O-N 2.98Å; T455-V458 PolarHBondContact O-N 3.24Å; E456-V458 VanDerWaalsContact C-N 3.34Å; E456-V458 PolarHBondContact O-N 2.78Å; V458-T461 PolarHBondContact O-N 2.93Å; V458-A462 WeakPolarHBondContact O-CB 3.42Å; V458-A462 PolarHBondContact O-N 3.34Å; V458-I583 HydrophobicContact CG1-CD1 3.8Å
459	V	93.3	Very high	91.1	Very high	5 Å²	5	50 Å²	50	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-46.2	-178.4	176	0	0	0	0	111.6	T455 E456 T461 A462 I463 L576 I579	T455-V459 WeakPolarHBondContact O-CG2 3.28Å; T455-V459 PolarHBondContact O-N 3.07Å; E456-V459 PolarHBondContact O-N 2.83Å; V459-T461 VanDerWaalsContact C-N 3.33Å; V459-T461 PolarHBondContact O-N 3.27Å; V459-A462 WeakPolarHBondContact O-CB 3.39Å; V459-A462 PolarHBondContact O-N 3.41Å; V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 WeakPolarHBondContact O-CG1 3.34Å; V459-I463 PolarHBondContact O-N 2.88Å; V459-L576 HydrophobicContact CG1-CB 4.15Å; V459-L576 HydrophobicContact CG1-CD2 3.68Å; V459-L576 HydrophobicContact CG1-CG 4.44Å; V459-I579 HydrophobicContact CG1-CB 4.47Å; V459-I579 HydrophobicContact CG1-CD1 4.48Å; V459-I579 HydrophobicContact CG1-CG2 4.39Å; V459-I579 HydrophobicContact CG2-CG2 4.32Å
460	L	93.1	Very high	91.1	Very high	92 Å²	92	46.1 Å²	46.1	48%	0.482	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-39.4	178.2	-70.3	173.5	0	0	0	111.3	V452 E456 I463 A464	V452-L460 HydrophobicContact CG1-CD1 4.11Å; E456-L460 WeakPolarHBondContact O-CB 3.46Å; E456-L460 WeakPolarHBondContact O-CG 3.38Å; E456-L460 PolarHBondContact O-N 3.34Å; L460-I463 PolarHBondContact O-N 3.11Å; L460-A464 VanDerWaalsContact O-CB 3.25Å; L460-A464 WeakPolarHBondContact O-CB 3.41Å; L460-A464 PolarHBondContact O-N 3.15Å
461	T	94.1	Very high	91.1	Very high	27 Å²	27	42.3 Å²	42.3	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-42.8	174.6	-59.3	0	0	0	0	111	L438 P439 A457 V458 V459 I463 A464 V465	L438-T461 HydrophobicContact CB-CG2 4.24Å; P439-T461 HydrophobicContact CG-CG2 4.45Å; A457-T461 WeakPolarHBondContact O-CB 3.29Å; A457-T461 PolarHBondContact O-N 3.48Å; A457-T461 PolarHBondContact O-OG1 3.08Å; V458-T461 PolarHBondContact O-N 2.93Å; V459-T461 VanDerWaalsContact C-N 3.33Å; V459-T461 PolarHBondContact O-N 3.27Å; T461-I463 PolarHBondContact O-N 3.29Å; T461-A464 PolarHBondContact O-N 3.22Å; T461-V465 HydrophobicContact CG2-CG2 4.41Å; T461-V465 WeakPolarHBondContact O-CG2 3.45Å; T461-V465 PolarHBondContact O-N 3.04Å
462	A	95.4	Very high	90.7	Very high	8 Å²	8	35.9 Å²	35.9	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-45.3	175.4	0	0	0	0	0	111.6	L435 P439 V458 V459 V465 Y466	L435-A462 HydrophobicContact CD1-CB 4.04Å; L435-A462 WeakPolarHBondContact CD1-O 3.16Å; P439-A462 HydrophobicContact CB-CB 4.36Å; P439-A462 HydrophobicContact CG-CB 3.87Å; V458-A462 WeakPolarHBondContact O-CB 3.42Å; V458-A462 PolarHBondContact O-N 3.34Å; V459-A462 WeakPolarHBondContact O-CB 3.39Å; V459-A462 PolarHBondContact O-N 3.41Å; A462-V465 PolarHBondContact O-N 3.4Å; A462-Y466 VanDerWaalsContact O-CB 3.26Å; A462-Y466 WeakPolarHBondContact O-CB 3.32Å; A462-Y466 PolarHBondContact O-N 2.9Å
463	I	95.3	Very high	90.2	Very high	48 Å²	48	34.4 Å²	34.4	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-41.4	175.3	-67.1	169	0	0	0	111	V459 L460 T461 Y466 T467 L576	V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 WeakPolarHBondContact O-CG1 3.34Å; V459-I463 PolarHBondContact O-N 2.88Å; L460-I463 PolarHBondContact O-N 3.11Å; T461-I463 PolarHBondContact O-N 3.29Å; I463-Y466 PolarHBondContact O-N 3.43Å; I463-T467 HydrophobicContact CG2-CG2 4.19Å; I463-T467 WeakPolarHBondContact O-CB 3.4Å; I463-T467 VanDerWaalsContact O-CG2 3.29Å; I463-T467 WeakPolarHBondContact O-CG2 3.25Å; I463-T467 PolarHBondContact O-N 3.06Å; I463-T467 PolarHBondContact O-OG1 3.43Å; I463-L576 HydrophobicContact CD1-CD2 3.52Å
464	A	94.4	Very high	89.3	Confident	54 Å²	54	38 Å²	38	45%	0.446	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-45.6	178.6	0	0	0	0	0	111.6	L460 T461 T467 A468	L460-A464 VanDerWaalsContact O-CB 3.25Å; L460-A464 WeakPolarHBondContact O-CB 3.41Å; L460-A464 PolarHBondContact O-N 3.15Å; T461-A464 PolarHBondContact O-N 3.22Å; A464-T467 WeakPolarHBondContact CA-OG1 3.44Å; A464-T467 PolarHBondContact O-N 2.86Å; A464-T467 PolarHBondContact O-OG1 3.3Å; A464-T467 VanDerWaalsContact O-OG1 3.07Å; A464-A468 WeakPolarHBondContact O-CB 3.11Å; A464-A468 PolarHBondContact O-N 3.02Å
465	V	94.9	Very high	88.3	Confident	19 Å²	19	40.8 Å²	40.8	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-41.1	176.7	177.1	0	0	0	0	111.3	A434 L435 L438 T461 A462 A468 G469	A434-V465 HydrophobicContact CB-CG1 4.09Å; L435-V465 HydrophobicContact CB-CG1 3.97Å; L435-V465 HydrophobicContact CD1-CB 4.33Å; L435-V465 HydrophobicContact CD1-CG1 4.44Å; L438-V465 HydrophobicContact CB-CG2 4.4Å; L438-V465 HydrophobicContact CD1-CG2 3.8Å; T461-V465 HydrophobicContact CG2-CG2 4.41Å; T461-V465 WeakPolarHBondContact O-CG2 3.45Å; T461-V465 PolarHBondContact O-N 3.04Å; A462-V465 PolarHBondContact O-N 3.4Å; V465-A468 PolarHBondContact O-N 3.12Å; V465-G469 PolarHBondContact O-N 2.99Å; V465-G469 VanDerWaalsContact O-N 3.11Å
466	Y	94.9	Very high	87.4	Confident	29 Å²	29	40.2 Å²	40.2	11%	0.114	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-45.6	176.3	-169.4	-81.6	0	0	0	111.7	L435 A462 I463 G469 S546 P547 A548 Y602	L435-Y466 HydrophobicContact CD2-CD2 4.1Å; A462-Y466 VanDerWaalsContact O-CB 3.26Å; A462-Y466 WeakPolarHBondContact O-CB 3.32Å; A462-Y466 PolarHBondContact O-N 2.9Å; I463-Y466 PolarHBondContact O-N 3.43Å; Y466-G469 PolarHBondContact O-N 3.34Å; Y466-S546 VanDerWaalsContact OH-CB 3.22Å; Y466-S546 WeakPolarHBondContact OH-CB 3.23Å; Y466-S546 PolarHBondContact OH-OG 2.81Å; Y466-S546 VanDerWaalsContact OH-OG 3.12Å; Y466-P547 WeakPolarHBondContact OH-CD 3.43Å; Y466-A548 HydrophobicContact CD1-CB 4.31Å; Y466-A548 HydrophobicContact CE1-CB 3.61Å; Y466-A548 HydrophobicContact CE2-CB 3.96Å; Y466-A548 WeakPolarHBondContact OH-CB 3.35Å; Y466-A548 PolarHBondContact OH-N 3.28Å; Y466-A548 VanDerWaalsContact OH-N 3.15Å; Y466-Y602 WeakPolarHBondContact CA-OH 3.24Å; Y466-Y602 HydrophobicContact CD1-CE2 4.35Å; Y466-Y602 HydrophobicContact CD2-CD1 4.35Å; Y466-Y602 AromaticContact CD2-CD2 3.7Å; Y466-Y602 HydrophobicContact CD2-CD2 3.7Å; Y466-Y602 HydrophobicContact CD2-CE1 4.21Å; Y466-Y602 AromaticContact CD2-CE2 3.56Å; Y466-Y602 HydrophobicContact CD2-CE2 3.56Å; Y466-Y602 HydrophobicContact CD2-CG 4.1Å; Y466-Y602 AromaticContact CD2-CZ 3.83Å; Y466-Y602 HydrophobicContact CE1-CE2 4.21Å; Y466-Y602 AromaticContact CE2-CD2 3.24Å; Y466-Y602 HydrophobicContact CE2-CD2 3.24Å; Y466-Y602 AromaticContact CE2-CE2 3.4Å; Y466-Y602 HydrophobicContact CE2-CE2 3.4Å; Y466-Y602 VanDerWaalsContact CE2-CE2 3.4Å; Y466-Y602 AromaticContact CE2-CG 3.9Å; Y466-Y602 HydrophobicContact CE2-CG 3.9Å; Y466-Y602 HydrophobicContact CG-CE2 4.05Å; Y466-Y602 AromaticContact CZ-CD2 3.83Å; Y466-Y602 AromaticContact CZ-CE2 3.75Å; Y466-Y602 PolarHBondContact O-OH 3.09Å
467	T	93.9	Very high	86.3	Confident	71 Å²	71	37.4 Å²	37.4	44%	0.436	22%	0.222	S	C	.	.	H	α-helix	trans	-71.5	-35.8	178.3	53	0	0	0	0	112.4	I463 A464 G469 L470	I463-T467 HydrophobicContact CG2-CG2 4.19Å; I463-T467 WeakPolarHBondContact O-CB 3.4Å; I463-T467 VanDerWaalsContact O-CG2 3.29Å; I463-T467 WeakPolarHBondContact O-CG2 3.25Å; I463-T467 PolarHBondContact O-N 3.06Å; I463-T467 PolarHBondContact O-OG1 3.43Å; A464-T467 WeakPolarHBondContact CA-OG1 3.44Å; A464-T467 PolarHBondContact O-N 2.86Å; A464-T467 PolarHBondContact O-OG1 3.3Å; A464-T467 VanDerWaalsContact O-OG1 3.07Å; T467-G469 VanDerWaalsContact C-N 3.26Å; T467-G469 PolarHBondContact O-N 3.27Å; T467-L470 VanDerWaalsContact O-CB 3.23Å; T467-L470 WeakPolarHBondContact O-CB 3.14Å; T467-L470 WeakPolarHBondContact O-CG 3.4Å; T467-L470 PolarHBondContact O-N 3.48Å
468	A	92.1	Very high	84.9	Confident	62 Å²	62	45.8 Å²	45.8	51%	0.512	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-33.7	174.7	0	0	0	0	0	112.4	A464 V465 L470 A471	A464-A468 WeakPolarHBondContact O-CB 3.11Å; A464-A468 PolarHBondContact O-N 3.02Å; V465-A468 PolarHBondContact O-N 3.12Å; A468-L470 PolarHBondContact O-N 2.68Å; A468-A471 WeakPolarHBondContact O-CB 3.16Å; A468-A471 PolarHBondContact O-N 3.48Å
469	G	90.1	Very high	83.4	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-20.3	173.5	0	0	0	0	0	113.8	V465 Y466 T467 A471 L472 Y602 L606	V465-G469 PolarHBondContact O-N 2.99Å; V465-G469 VanDerWaalsContact O-N 3.11Å; Y466-G469 PolarHBondContact O-N 3.34Å; T467-G469 VanDerWaalsContact C-N 3.26Å; T467-G469 PolarHBondContact O-N 3.27Å; G469-A471 PolarHBondContact O-N 2.77Å; G469-L472 WeakPolarHBondContact O-CB 3.21Å; G469-L472 PolarHBondContact O-N 2.99Å; G469-Y602 WeakPolarHBondContact CA-OH 3.33Å; G469-L606 WeakPolarHBondContact O-CD2 3.23Å
470	L	88.2	Confident	82	Confident	51 Å²	51	52 Å²	52	27%	0.267	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.7	172	-56.6	178.6	0	0	0	112.5	T467 A468 L472 P473 W605 W609	T467-L470 VanDerWaalsContact O-CB 3.23Å; T467-L470 WeakPolarHBondContact O-CB 3.14Å; T467-L470 WeakPolarHBondContact O-CG 3.4Å; T467-L470 PolarHBondContact O-N 3.48Å; A468-L470 PolarHBondContact O-N 2.68Å; L470-L472 VanDerWaalsContact C-N 3.26Å; L470-L472 PolarHBondContact O-N 3.5Å; L470-P473 WeakPolarHBondContact O-CD 3.38Å; L470-W605 HydrophobicContact CD2-CH2 3.42Å; L470-W605 VanDerWaalsContact CD2-CH2 3.42Å; L470-W605 HydrophobicContact CD2-CZ3 3.56Å; L470-W609 HydrophobicContact CB-CZ2 4.29Å; L470-W609 HydrophobicContact CD2-CD2 4.42Å; L470-W609 HydrophobicContact CD2-CZ2 4.22Å; L470-W609 PolarHBondContact O-NE1 3.31Å
471	A	86.2	Confident	79.9	Confident	54 Å²	54	52.7 Å²	52.7	45%	0.446	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.8	174.1	0	0	0	0	0	113.4	A468 G469 H474	A468-A471 WeakPolarHBondContact O-CB 3.16Å; A468-A471 PolarHBondContact O-N 3.48Å; G469-A471 PolarHBondContact O-N 2.77Å; A471-H474 WeakPolarHBondContact O-CB 3.4Å; A471-H474 PolarHBondContact O-N 3.29Å
472	L	78.8	Confident	77.8	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-55.1	-38.2	-175.8	-168.9	152.7	0	0	0	114.9	I427 G469 L470 H474 N475 T476 L606 N610	I427-L472 HydrophobicContact CG2-CD1 3.7Å; I427-L472 HydrophobicContact CG2-CD2 4.38Å; I427-L472 HydrophobicContact CG2-CG 3.78Å; G469-L472 WeakPolarHBondContact O-CB 3.21Å; G469-L472 PolarHBondContact O-N 2.99Å; L470-L472 VanDerWaalsContact C-N 3.26Å; L470-L472 PolarHBondContact O-N 3.5Å; L472-H474 PolarHBondContact O-N 3.05Å; L472-N475 PolarHBondContact O-N 3.22Å; L472-T476 HydrophobicContact CD2-CG2 3.56Å; L472-T476 HydrophobicContact CG-CG2 4.36Å; L472-T476 PolarHBondContact O-N 3.45Å; L472-T476 PolarHBondContact O-OG1 3.45Å; L472-L606 HydrophobicContact CD1-CD1 4.01Å; L472-L606 HydrophobicContact CD1-CD2 4.44Å; L472-N610 VanDerWaalsContact CD2-ND2 3.28Å; L472-N610 WeakPolarHBondContact CD2-ND2 3.2Å
473	P	76.8	Confident	75.8	Confident	8 Å²	8	59 Å²	59	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-57.8	-36.7	175.5	-23.4	33.5	0	0	0	112.8	L470 N475 T476 H477 W609 F613	L470-P473 WeakPolarHBondContact O-CD 3.38Å; P473-N475 VanDerWaalsContact C-N 3.31Å; P473-N475 PolarHBondContact O-N 2.91Å; P473-T476 WeakPolarHBondContact CA-OG1 3.29Å; P473-T476 PolarHBondContact O-OG1 2.84Å; P473-T476 VanDerWaalsContact O-OG1 3.06Å; P473-H477 VanDerWaalsContact O-CB 3.31Å; P473-H477 WeakPolarHBondContact O-CB 3.49Å; P473-H477 PolarHBondContact O-CD2 2.85Å; P473-H477 PolarHBondContact O-N 2.77Å; P473-W609 VanDerWaalsContact CG-CD1 3.46Å; P473-W609 HydrophobicContact CG-CG 4.45Å; P473-F613 HydrophobicContact CB-CB 3.64Å; P473-F613 HydrophobicContact CB-CD2 4.28Å; P473-F613 HydrophobicContact CB-CG 4.2Å; P473-F613 HydrophobicContact CG-CB 4.07Å; P473-F613 HydrophobicContact CG-CD2 3.81Å; P473-F613 HydrophobicContact CG-CG 4.24Å
474	H	67.9	Low	74	Confident	124 Å²	124	58.9 Å²	58.9	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-64.5	-37.7	176.9	-115.9	73.8	0	0	0	111.9	A471 L472 R478	A471-H474 WeakPolarHBondContact O-CB 3.4Å; A471-H474 PolarHBondContact O-N 3.29Å; L472-H474 PolarHBondContact O-N 3.05Å; H474-R478 VanDerWaalsContact O-CG 3.26Å; H474-R478 WeakPolarHBondContact O-CG 3.33Å; H474-R478 PolarHBondContact O-N 3.1Å
475	N	64.4	Low	72.8	Confident	84 Å²	84	57.7 Å²	57.7	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-76.1	-39.6	-179.4	-65.3	-20.2	0	0	0	112	L472 P473 L479	L472-N475 PolarHBondContact O-N 3.22Å; P473-N475 VanDerWaalsContact C-N 3.31Å; P473-N475 PolarHBondContact O-N 2.91Å; N475-L479 PolarHBondContact O-N 3.32Å
476	T	68.2	Low	72	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-42.4	176	54.4	0	0	0	0	111.6	P424 I427 L472 P473 R478 L479 L480 N610	P424-T476 HydrophobicContact CB-CG2 4.24Å; I427-T476 HydrophobicContact CD1-CG2 3.95Å; L472-T476 HydrophobicContact CD2-CG2 3.56Å; L472-T476 HydrophobicContact CG-CG2 4.36Å; L472-T476 PolarHBondContact O-N 3.45Å; L472-T476 PolarHBondContact O-OG1 3.45Å; P473-T476 WeakPolarHBondContact CA-OG1 3.29Å; P473-T476 PolarHBondContact O-OG1 2.84Å; P473-T476 VanDerWaalsContact O-OG1 3.06Å; T476-R478 VanDerWaalsContact C-N 3.32Å; T476-R478 PolarHBondContact O-N 3.48Å; T476-L479 PolarHBondContact O-N 2.9Å; T476-L479 VanDerWaalsContact O-N 3.16Å; T476-L480 VanDerWaalsContact O-CB 3.27Å; T476-L480 WeakPolarHBondContact O-CB 3.37Å; T476-L480 WeakPolarHBondContact O-CD1 3.4Å; T476-L480 WeakPolarHBondContact O-CG 3.33Å; T476-L480 PolarHBondContact O-N 3.23Å; T476-N610 WeakPolarHBondContact CG2-ND2 3.27Å; T476-N610 PolarHBondContact OG1-ND2 3.44Å
477	H	67.2	Low	71.2	Confident	40 Å²	40	61.9 Å²	61.9	19%	0.185	36%	0.362	C	S	.	.	H	α-helix	trans	-68.6	-29.3	179.2	-73.9	-55.4	0	0	0	113.5	P473 L479 S481 F613	P473-H477 VanDerWaalsContact O-CB 3.31Å; P473-H477 WeakPolarHBondContact O-CB 3.49Å; P473-H477 PolarHBondContact O-CD2 2.85Å; P473-H477 PolarHBondContact O-N 2.77Å; H477-L479 VanDerWaalsContact C-N 3.35Å; H477-S481 PolarHBondContact O-N 3.39Å; H477-F613 PolarHBondContact NE2-O 2.77Å
478	R	60.8	Low	70.8	Confident	178 Å²	178	58.5 Å²	58.5	67%	0.672	34%	0.341	S	S	*	.	H	α-helix	trans	-66.2	-37.5	170.5	-78.8	175.7	-175.7	-176	3	112.1	H474 T476	H474-R478 VanDerWaalsContact O-CG 3.26Å; H474-R478 WeakPolarHBondContact O-CG 3.33Å; H474-R478 PolarHBondContact O-N 3.1Å; T476-R478 VanDerWaalsContact C-N 3.32Å; T476-R478 PolarHBondContact O-N 3.48Å
479	L	61.9	Low	70.5	Confident	117 Å²	117	56 Å²	56	61%	0.613	32%	0.319	S	S	*	.	H	α-helix	trans	-78.5	-28.1	179.4	-139.1	84.4	0	0	0	112.9	T423 N475 T476 H477	T423-L479 HydrophobicContact CG2-CB 4.43Å; T423-L479 HydrophobicContact CG2-CD2 3.74Å; N475-L479 PolarHBondContact O-N 3.32Å; T476-L479 PolarHBondContact O-N 2.9Å; T476-L479 VanDerWaalsContact O-N 3.16Å; H477-L479 VanDerWaalsContact C-N 3.35Å
480	L	62.6	Low	70.5	Confident	19 Å²	19	59 Å²	59	10%	0.099	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	21.7	-176.3	-65.7	169.6	0	0	0	113	L419 T423 T476 G482 E483	L419-L480 HydrophobicContact CG-CD2 4.23Å; T423-L480 HydrophobicContact CG2-CD2 4.5Å; T423-L480 HydrophobicContact CG2-CG 4.4Å; T476-L480 VanDerWaalsContact O-CB 3.27Å; T476-L480 WeakPolarHBondContact O-CB 3.37Å; T476-L480 WeakPolarHBondContact O-CD1 3.4Å; T476-L480 WeakPolarHBondContact O-CG 3.33Å; T476-L480 PolarHBondContact O-N 3.23Å; L480-G482 VanDerWaalsContact C-N 3.34Å; L480-G482 PolarHBondContact O-N 3.34Å; L480-E483 PolarHBondContact O-N 3.17Å
481	S	50.3	Low	70.6	Confident	106 Å²	106	58.4 Å²	58.4	74%	0.741	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	89.9	-176.2	55.6	0	0	0	0	111.9	H477	H477-S481 PolarHBondContact O-N 3.39Å
482	G	50.3	Low	70.8	Confident	78 Å²	78	55.9 Å²	55.9	80%	0.804	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.8	-12.4	175.2	0	0	0	0	0	117.5	L480	L480-G482 VanDerWaalsContact C-N 3.34Å; L480-G482 PolarHBondContact O-N 3.34Å
483	E	51.7	Low	71.5	Confident	90 Å²	90	56 Å²	56	42%	0.421	31%	0.307	S	S	.	.			trans	-123.4	34.7	-169.9	-63.1	-167	161.5	0	0	115.1	L480 T485	L480-E483 PolarHBondContact O-N 3.17Å; E483-T485 VanDerWaalsContact C-N 3.25Å; E483-T485 PolarHBondContact O-N 2.87Å
484	G	58.4	Low	72.3	Confident	46 Å²	46	56.5 Å²	56.5	47%	0.474	31%	0.309	S	S	.	.			trans	-72.4	74.1	171.6	0	0	0	0	0	112	K615	G484-K615 VanDerWaalsContact CA-O 3.27Å; G484-K615 WeakPolarHBondContact CA-O 3.39Å
485	T	70.2	Confident	73.5	Confident	28 Å²	28	53.2 Å²	53.2	17%	0.172	30%	0.298	C	S	.	.			trans	-84	143.6	175.9	60.5	0	0	0	0	110.6	E483 Q487 G488	E483-T485 VanDerWaalsContact C-N 3.25Å; E483-T485 PolarHBondContact O-N 2.87Å; T485-Q487 PolarHBondContact O-N 2.92Å; T485-Q487 VanDerWaalsContact O-N 3.15Å; T485-G488 PolarHBondContact O-N 3.4Å; T485-G488 PolarHBondContact OG1-N 2.96Å
486	E	76.5	Confident	75.1	Confident	84 Å²	84	49.2 Å²	49.2	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-56.2	-26.5	169.8	-92.4	-68.1	128.4	0	0	112.4	W489 R490 H532	E486-W489 VanDerWaalsContact CD-NE1 3.35Å; E486-W489 VanDerWaalsContact O-CD1 3.29Å; E486-W489 PolarHBondContact O-NE1 3.36Å; E486-W489 PolarHBondContact OE1-NE1 2.91Å; E486-W489 PolarHBondContact OE2-NE1 3.34Å; E486-W489 VanDerWaalsContact OE2-NE1 3.11Å; E486-R490 WeakPolarHBondContact O-CD 3.47Å; E486-R490 WeakPolarHBondContact O-CG 3.3Å; E486-R490 PolarHBondContact O-NE 3.25Å; E486-R490 IonicContact OE2-CZ 3.39Å; E486-R490 IonicContact OE2-NE 3.6Å; E486-R490 IonicContact OE2-NH2 3.66Å; E486-R490 PolarHBondContact OE2-NH2 2.93Å; E486-H532 IonicContact OE1-CE1 3.23Å; E486-H532 PolarHBondContact OE1-CE1 3.31Å; E486-H532 IonicContact OE1-NE2 3.63Å; E486-H532 PolarHBondContact OE1-NE2 3.32Å; E486-H532 IonicContact OE2-NE2 2.86Å
487	Q	79.5	Confident	76.4	Confident	52 Å²	52	49.2 Å²	49.2	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-75.4	-35.7	173.8	-68.3	-177.2	-10.7	0	0	112	P416 T485 R490 V491	P416-Q487 HydrophobicContact CB-CB 4.46Å; P416-Q487 HydrophobicContact CG-CB 4.2Å; T485-Q487 PolarHBondContact O-N 2.92Å; T485-Q487 VanDerWaalsContact O-N 3.15Å; Q487-R490 PolarHBondContact O-N 3.37Å; Q487-V491 WeakPolarHBondContact O-CG2 3.37Å; Q487-V491 PolarHBondContact O-N 3.2Å
488	G	83.8	Confident	77.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-50.9	-176.7	0	0	0	0	0	113.9	T485 R490 V491 L492	T485-G488 PolarHBondContact O-N 3.4Å; T485-G488 PolarHBondContact OG1-N 2.96Å; G488-R490 VanDerWaalsContact C-N 3.29Å; G488-R490 PolarHBondContact O-N 3.15Å; G488-V491 PolarHBondContact O-N 3.41Å; G488-L492 PolarHBondContact O-N 2.97Å
489	W	86.9	Confident	79.6	Confident	11 Å²	11	44.8 Å²	44.8	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-31.7	179.1	75.2	-98.9	0	0	0	112.6	E486 L492 K493 T530 P531 I611 W614	E486-W489 VanDerWaalsContact CD-NE1 3.35Å; E486-W489 VanDerWaalsContact O-CD1 3.29Å; E486-W489 PolarHBondContact O-NE1 3.36Å; E486-W489 PolarHBondContact OE1-NE1 2.91Å; E486-W489 PolarHBondContact OE2-NE1 3.34Å; E486-W489 VanDerWaalsContact OE2-NE1 3.11Å; W489-L492 PolarHBondContact O-N 3.43Å; W489-K493 HydrophobicContact CE3-CB 4.47Å; W489-K493 HydrophobicContact CZ3-CD 4.04Å; W489-K493 VanDerWaalsContact O-CB 3.26Å; W489-K493 WeakPolarHBondContact O-CB 3.48Å; W489-K493 PolarHBondContact O-N 2.94Å; W489-T530 HydrophobicContact CH2-CG2 3.95Å; W489-T530 HydrophobicContact CZ3-CG2 3.96Å; W489-P531 HydrophobicContact CD2-CG 3.72Å; W489-P531 HydrophobicContact CE3-CG 4.29Å; W489-P531 HydrophobicContact CG-CG 3.93Å; W489-P531 HydrophobicContact CZ2-CG 4.13Å; W489-I611 HydrophobicContact CE3-CG2 3.99Å; W489-W614 HydrophobicContact CB-CB 4.18Å; W489-W614 HydrophobicContact CB-CD2 3.66Å; W489-W614 HydrophobicContact CB-CE3 4.34Å; W489-W614 HydrophobicContact CB-CG 3.58Å; W489-W614 HydrophobicContact CG-CG 4.42Å
490	R	89.7	Confident	81.3	Confident	66 Å²	66	39.3 Å²	39.3	25%	0.249	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-41	176.7	-67.5	179.2	-162.4	-169.2	3.4	111.3	L392 L396 E486 Q487 G488 K493 L494	L392-R490 HydrophobicContact CD2-CB 4.49Å; L396-R490 HydrophobicContact CD2-CB 3.84Å; L396-R490 HydrophobicContact CG-CB 4.26Å; E486-R490 WeakPolarHBondContact O-CD 3.47Å; E486-R490 WeakPolarHBondContact O-CG 3.3Å; E486-R490 PolarHBondContact O-NE 3.25Å; E486-R490 IonicContact OE2-CZ 3.39Å; E486-R490 IonicContact OE2-NE 3.6Å; E486-R490 IonicContact OE2-NH2 3.66Å; E486-R490 PolarHBondContact OE2-NH2 2.93Å; Q487-R490 PolarHBondContact O-N 3.37Å; G488-R490 VanDerWaalsContact C-N 3.29Å; G488-R490 PolarHBondContact O-N 3.15Å; R490-K493 PolarHBondContact O-N 3.09Å; R490-L494 WeakPolarHBondContact O-CB 3.31Å; R490-L494 PolarHBondContact O-N 3.43Å
491	V	89.8	Confident	83	Confident	38 Å²	38	38.9 Å²	38.9	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-46.2	173.2	176.7	0	0	0	0	110.5	L396 P416 V421 Q487 G488 K493 L494 V495	L396-V491 HydrophobicContact CD1-CG2 3.94Å; L396-V491 HydrophobicContact CD2-CG2 3.79Å; P416-V491 HydrophobicContact CG-CG2 4.13Å; V421-V491 HydrophobicContact CG1-CG1 4.43Å; V421-V491 HydrophobicContact CG2-CB 4.06Å; V421-V491 HydrophobicContact CG2-CG1 3.72Å; Q487-V491 WeakPolarHBondContact O-CG2 3.37Å; Q487-V491 PolarHBondContact O-N 3.2Å; G488-V491 PolarHBondContact O-N 3.41Å; V491-K493 VanDerWaalsContact C-N 3.32Å; V491-K493 PolarHBondContact O-N 3.46Å; V491-L494 WeakPolarHBondContact O-CB 3.48Å; V491-L494 PolarHBondContact O-N 3.34Å; V491-V495 WeakPolarHBondContact O-CG2 3.42Å; V491-V495 PolarHBondContact O-N 3.32Å
492	L	90.7	Very high	85.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-43.5	176.3	-178	62.3	0	0	0	111.6	V421 P424 G488 W489 V495 A496 L607 I611 W614	V421-L492 HydrophobicContact CG1-CD1 4.17Å; P424-L492 HydrophobicContact CB-CD2 4.1Å; P424-L492 HydrophobicContact CG-CD1 3.94Å; P424-L492 HydrophobicContact CG-CD2 3.73Å; P424-L492 HydrophobicContact CG-CG 4.49Å; G488-L492 PolarHBondContact O-N 2.97Å; W489-L492 PolarHBondContact O-N 3.43Å; L492-V495 PolarHBondContact O-N 2.87Å; L492-A496 WeakPolarHBondContact O-CB 3.33Å; L492-A496 PolarHBondContact O-N 3.29Å; L492-L607 HydrophobicContact CD1-CD2 4.29Å; L492-I611 HydrophobicContact CB-CG1 4.47Å; L492-I611 HydrophobicContact CD2-CD1 4.45Å; L492-I611 HydrophobicContact CD2-CG1 3.82Å; L492-I611 HydrophobicContact CG-CD1 4.17Å; L492-I611 HydrophobicContact CG-CG1 4.04Å; L492-W614 HydrophobicContact CD2-CE3 4.13Å; L492-W614 HydrophobicContact CD2-CH2 4.44Å; L492-W614 HydrophobicContact CD2-CZ3 3.61Å
493	K	93.5	Very high	87.5	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-42.6	175.6	-169.8	176.8	175	177.5	0	111.6	L392 W489 R490 V491 V495 A496 V497 A526 V529 I611	L392-K493 HydrophobicContact CD1-CB 4.02Å; L392-K493 HydrophobicContact CD1-CD 3.84Å; L392-K493 HydrophobicContact CD1-CG 3.67Å; L392-K493 HydrophobicContact CD2-CD 4.28Å; W489-K493 HydrophobicContact CE3-CB 4.47Å; W489-K493 HydrophobicContact CZ3-CD 4.04Å; W489-K493 VanDerWaalsContact O-CB 3.26Å; W489-K493 WeakPolarHBondContact O-CB 3.48Å; W489-K493 PolarHBondContact O-N 2.94Å; R490-K493 PolarHBondContact O-N 3.09Å; V491-K493 VanDerWaalsContact C-N 3.32Å; V491-K493 PolarHBondContact O-N 3.46Å; K493-V495 PolarHBondContact O-N 3.02Å; K493-A496 PolarHBondContact O-N 2.91Å; K493-V497 HydrophobicContact CG-CG2 4.13Å; K493-V497 WeakPolarHBondContact O-CB 3.26Å; K493-V497 WeakPolarHBondContact O-CG2 3.19Å; K493-V497 PolarHBondContact O-N 2.97Å; K493-A526 WeakPolarHBondContact CE-O 3.29Å; K493-A526 PolarHBondContact NZ-O 3.44Å; K493-V529 WeakPolarHBondContact CD-O 3.46Å; K493-V529 VanDerWaalsContact CE-O 3.23Å; K493-V529 WeakPolarHBondContact CE-O 3.1Å; K493-V529 PolarHBondContact NZ-O 3.29Å; K493-I611 VanDerWaalsContact CA-CD1 3.49Å; K493-I611 HydrophobicContact CB-CD1 3.7Å; K493-I611 HydrophobicContact CG-CD1 4.11Å
494	L	94.1	Very high	89.7	Confident	18 Å²	18	31.1 Å²	31.1	9%	0.094	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-48.3	176.5	176	63.2	0	0	0	111.1	A389 L392 W393 L396 R490 V491 V497 L498	A389-L494 HydrophobicContact CB-CD1 3.77Å; A389-L494 VanDerWaalsContact O-CD1 3.31Å; A389-L494 WeakPolarHBondContact O-CD1 3.16Å; L392-L494 HydrophobicContact CB-CB 4.38Å; L392-L494 HydrophobicContact CB-CD1 4.33Å; L392-L494 HydrophobicContact CD1-CB 4.44Å; W393-L494 HydrophobicContact CE3-CD2 3.83Å; W393-L494 HydrophobicContact CZ3-CD2 4.49Å; L396-L494 HydrophobicContact CD1-CD2 3.95Å; R490-L494 WeakPolarHBondContact O-CB 3.31Å; R490-L494 PolarHBondContact O-N 3.43Å; V491-L494 WeakPolarHBondContact O-CB 3.48Å; V491-L494 PolarHBondContact O-N 3.34Å; L494-V497 PolarHBondContact O-N 3.31Å; L494-L498 HydrophobicContact CD1-CD1 4.04Å; L494-L498 HydrophobicContact CD1-CG 4.25Å; L494-L498 HydrophobicContact CG-CD1 4.17Å; L494-L498 WeakPolarHBondContact O-CB 3.1Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 2.86Å
495	V	94	Very high	91.5	Very high	56 Å²	56	31.1 Å²	31.1	34%	0.339	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-46.3	176.6	173.5	0	0	0	0	110.9	V421 L425 V491 L492 K493 V497 L498 Y499	V421-V495 HydrophobicContact CG1-CG2 4.45Å; L425-V495 HydrophobicContact CD1-CG1 4.08Å; V491-V495 WeakPolarHBondContact O-CG2 3.42Å; V491-V495 PolarHBondContact O-N 3.32Å; L492-V495 PolarHBondContact O-N 2.87Å; K493-V495 PolarHBondContact O-N 3.02Å; V495-V497 PolarHBondContact O-N 3.39Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-Y499 VanDerWaalsContact O-CB 3.23Å; V495-Y499 WeakPolarHBondContact O-CB 3.38Å; V495-Y499 PolarHBondContact O-N 3.07Å
496	A	96.1	Very high	92.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-40.6	179.8	0	0	0	0	0	112.8	L492 K493 Y499 L500 L607 F608	L492-A496 WeakPolarHBondContact O-CB 3.33Å; L492-A496 PolarHBondContact O-N 3.29Å; K493-A496 PolarHBondContact O-N 2.91Å; A496-Y499 PolarHBondContact O-N 3.38Å; A496-L500 WeakPolarHBondContact O-CB 3.32Å; A496-L500 PolarHBondContact O-N 3.44Å; A496-L607 HydrophobicContact CB-CB 3.87Å; A496-L607 HydrophobicContact CB-CD1 3.9Å; A496-F608 HydrophobicContact CB-CD1 4.32Å; A496-F608 HydrophobicContact CB-CE1 3.73Å; A496-F608 HydrophobicContact CB-CE2 4.41Å; A496-F608 HydrophobicContact CB-CZ 3.78Å
497	V	97.2	Very high	93.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-43.9	177.4	171.6	0	0	0	0	111.2	L385 R388 A389 K493 L494 V495 L500 A501 A526 F608	L385-V497 HydrophobicContact CB-CG1 3.97Å; L385-V497 HydrophobicContact CD2-CG1 4.27Å; L385-V497 WeakPolarHBondContact O-CG1 3.15Å; R388-V497 HydrophobicContact CB-CG1 4.35Å; A389-V497 HydrophobicContact CB-CG1 4.11Å; K493-V497 HydrophobicContact CG-CG2 4.13Å; K493-V497 WeakPolarHBondContact O-CB 3.26Å; K493-V497 WeakPolarHBondContact O-CG2 3.19Å; K493-V497 PolarHBondContact O-N 2.97Å; L494-V497 PolarHBondContact O-N 3.31Å; V495-V497 PolarHBondContact O-N 3.39Å; V497-L500 PolarHBondContact O-N 2.92Å; V497-A501 WeakPolarHBondContact O-CB 3.36Å; V497-A501 PolarHBondContact O-N 3.27Å; V497-A526 HydrophobicContact CG2-CB 4.3Å; V497-F608 HydrophobicContact CG2-CE1 4.02Å; V497-F608 HydrophobicContact CG2-CZ 4.3Å
498	L	96.9	Very high	94.4	Very high	82 Å²	82	26.8 Å²	26.8	43%	0.429	15%	0.15	S	C	.	.	H	α-helix	trans	-64.8	-41.8	175.9	-71.2	174.6	0	0	0	111.5	A389 L494 V495 A501 V502	A389-L498 HydrophobicContact CB-CD2 3.76Å; A389-L498 HydrophobicContact CB-CG 4.17Å; L494-L498 HydrophobicContact CD1-CD1 4.04Å; L494-L498 HydrophobicContact CD1-CG 4.25Å; L494-L498 HydrophobicContact CG-CD1 4.17Å; L494-L498 WeakPolarHBondContact O-CB 3.1Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 2.86Å; V495-L498 PolarHBondContact O-N 3.33Å; L498-A501 PolarHBondContact O-N 2.86Å; L498-V502 WeakPolarHBondContact O-CG2 3.45Å; L498-V502 PolarHBondContact O-N 3.4Å
499	Y	97.2	Very high	94.8	Very high	43 Å²	43	32.5 Å²	32.5	17%	0.169	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-50.7	173.4	176.1	-159.5	0	0	0	110.9	H429 V495 A496 A501 V502 L503 M600 C604 L607	H429-Y499 AromaticContact CE1-CE1 3.81Å; H429-Y499 AromaticContact NE2-CE1 3.74Å; H429-Y499 AromaticContact NE2-CZ 3.89Å; H429-Y499 PolarHBondContact NE2-OH 2.86Å; V495-Y499 VanDerWaalsContact O-CB 3.23Å; V495-Y499 WeakPolarHBondContact O-CB 3.38Å; V495-Y499 PolarHBondContact O-N 3.07Å; A496-Y499 PolarHBondContact O-N 3.38Å; Y499-A501 VanDerWaalsContact C-N 3.28Å; Y499-A501 PolarHBondContact O-N 3.11Å; Y499-V502 PolarHBondContact O-N 3.24Å; Y499-L503 HydrophobicContact CD2-CB 4.37Å; Y499-L503 HydrophobicContact CE2-CB 4.28Å; Y499-L503 HydrophobicContact CE2-CD2 4.34Å; Y499-L503 VanDerWaalsContact O-CB 3.26Å; Y499-L503 WeakPolarHBondContact O-CB 3.37Å; Y499-L503 PolarHBondContact O-N 3.43Å; Y499-M600 HydrophobicContact CE2-SD 4.48Å; Y499-M600 WeakPolarHBondContact OH-CA 3.31Å; Y499-M600 PolarHBondContact OH-O 3.29Å; Y499-M600 PolarHBondContact OH-SD 2.7Å; Y499-C604 HydrophobicContact CD1-CB 3.92Å; Y499-C604 HydrophobicContact CE1-CB 3.66Å; Y499-L607 HydrophobicContact CD1-CD1 4.21Å
500	L	98.1	Very high	95	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-39.1	177.6	-174.6	64.3	0	0	0	112.1	L385 A496 V497 L503 L504 L522 A526 F608	L385-L500 HydrophobicContact CD1-CB 4.37Å; L385-L500 HydrophobicContact CD1-CD2 4.15Å; L385-L500 HydrophobicContact CD1-CG 4Å; L385-L500 HydrophobicContact CD2-CD2 3.95Å; A496-L500 WeakPolarHBondContact O-CB 3.32Å; A496-L500 PolarHBondContact O-N 3.44Å; V497-L500 PolarHBondContact O-N 2.92Å; L500-L503 PolarHBondContact O-N 3.33Å; L500-L504 HydrophobicContact CD1-CD1 3.9Å; L500-L504 HydrophobicContact CD1-CD2 4.34Å; L500-L504 HydrophobicContact CD1-CG 3.83Å; L500-L504 HydrophobicContact CD2-CD1 4.33Å; L500-L504 HydrophobicContact CG-CD1 3.8Å; L500-L504 HydrophobicContact CG-CG 4.12Å; L500-L504 WeakPolarHBondContact O-CB 3.3Å; L500-L504 WeakPolarHBondContact O-CG 3.05Å; L500-L504 PolarHBondContact O-N 2.86Å; L500-L522 HydrophobicContact CD1-CB 4.09Å; L500-L522 HydrophobicContact CD1-CD1 3.97Å; L500-L522 HydrophobicContact CD2-CB 4.07Å; L500-A526 HydrophobicContact CD2-CB 3.63Å; L500-F608 HydrophobicContact CB-CE2 4.46Å; L500-F608 HydrophobicContact CB-CZ 4.44Å; L500-F608 HydrophobicContact CD2-CE2 4Å; L500-F608 HydrophobicContact CD2-CZ 4.19Å
501	A	97.9	Very high	95.3	Very high	10 Å²	10	33.7 Å²	33.7	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-46.3	179.1	0	0	0	0	0	112.1	L385 V497 L498 Y499 S505	L385-A501 HydrophobicContact CB-CB 3.96Å; L385-A501 HydrophobicContact CD1-CB 3.93Å; V497-A501 WeakPolarHBondContact O-CB 3.36Å; V497-A501 PolarHBondContact O-N 3.27Å; L498-A501 PolarHBondContact O-N 2.86Å; Y499-A501 VanDerWaalsContact C-N 3.28Å; Y499-A501 PolarHBondContact O-N 3.11Å; A501-S505 VanDerWaalsContact O-CB 3.28Å; A501-S505 WeakPolarHBondContact O-CB 3.45Å; A501-S505 PolarHBondContact O-N 3.01Å; A501-S505 VanDerWaalsContact O-N 3.08Å; A501-S505 PolarHBondContact O-OG 2.86Å
502	V	97.5	Very high	95.5	Very high	94 Å²	94	32.1 Å²	32.1	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-65	-46.3	175.6	174.6	0	0	0	0	110.2	L498 Y499 S505 C506	L498-V502 WeakPolarHBondContact O-CG2 3.45Å; L498-V502 PolarHBondContact O-N 3.4Å; Y499-V502 PolarHBondContact O-N 3.24Å; V502-S505 PolarHBondContact O-N 3.44Å; V502-C506 WeakPolarHBondContact O-CB 3.24Å; V502-C506 PolarHBondContact O-N 3.37Å; V502-C506 PolarHBondContact O-SG 3.25Å
503	L	97.7	Very high	95.8	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-56.4	-56.4	-179.9	177.9	58.6	0	0	0	111.4	Y499 L500 S505 C506 T507 L596 M600 V601 C604	Y499-L503 HydrophobicContact CD2-CB 4.37Å; Y499-L503 HydrophobicContact CE2-CB 4.28Å; Y499-L503 HydrophobicContact CE2-CD2 4.34Å; Y499-L503 VanDerWaalsContact O-CB 3.26Å; Y499-L503 WeakPolarHBondContact O-CB 3.37Å; Y499-L503 PolarHBondContact O-N 3.43Å; L500-L503 PolarHBondContact O-N 3.33Å; L503-S505 VanDerWaalsContact C-N 3.31Å; L503-S505 PolarHBondContact O-N 2.99Å; L503-C506 PolarHBondContact O-N 3.06Å; L503-T507 PolarHBondContact O-N 3.16Å; L503-T507 PolarHBondContact O-OG1 2.92Å; L503-L596 HydrophobicContact CD1-CD1 3.69Å; L503-M600 HydrophobicContact CD1-CB 3.63Å; L503-M600 HydrophobicContact CD1-CG 4.34Å; L503-M600 HydrophobicContact CD2-CB 4.07Å; L503-V601 HydrophobicContact CD2-CB 4.44Å; L503-V601 HydrophobicContact CD2-CG2 4.01Å; L503-C604 HydrophobicContact CD2-CB 4.34Å
504	L	97.8	Very high	96	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-37.3	-179.3	-68.5	177.2	0	0	0	112.2	F378 L385 L500 T507 A508 L518 A519 V523	F378-L504 HydrophobicContact CE2-CB 4.09Å; F378-L504 HydrophobicContact CZ-CB 4.02Å; F378-L504 WeakPolarHBondContact CZ-O 3.29Å; L385-L504 HydrophobicContact CD1-CD1 3.98Å; L500-L504 HydrophobicContact CD1-CD1 3.9Å; L500-L504 HydrophobicContact CD1-CD2 4.34Å; L500-L504 HydrophobicContact CD1-CG 3.83Å; L500-L504 HydrophobicContact CD2-CD1 4.33Å; L500-L504 HydrophobicContact CG-CD1 3.8Å; L500-L504 HydrophobicContact CG-CG 4.12Å; L500-L504 WeakPolarHBondContact O-CB 3.3Å; L500-L504 WeakPolarHBondContact O-CG 3.05Å; L500-L504 PolarHBondContact O-N 2.86Å; L504-T507 PolarHBondContact O-N 3.3Å; L504-A508 VanDerWaalsContact O-CB 3.28Å; L504-A508 WeakPolarHBondContact O-CB 3.18Å; L504-A508 PolarHBondContact O-N 3.42Å; L504-L518 HydrophobicContact CD2-CB 3.54Å; L504-A519 HydrophobicContact CD1-CB 4.02Å; L504-V523 HydrophobicContact CD1-CG2 3.9Å
505	S	96.4	Very high	96.1	Very high	46 Å²	46	31.7 Å²	31.7	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-65.1	-45.7	177.9	-58.8	0	0	0	0	111.3	A501 V502 L503 A508 L509	A501-S505 VanDerWaalsContact O-CB 3.28Å; A501-S505 WeakPolarHBondContact O-CB 3.45Å; A501-S505 PolarHBondContact O-N 3.01Å; A501-S505 VanDerWaalsContact O-N 3.08Å; A501-S505 PolarHBondContact O-OG 2.86Å; V502-S505 PolarHBondContact O-N 3.44Å; L503-S505 VanDerWaalsContact C-N 3.31Å; L503-S505 PolarHBondContact O-N 2.99Å; S505-A508 PolarHBondContact O-N 3.08Å; S505-L509 WeakPolarHBondContact O-CG 3.35Å; S505-L509 PolarHBondContact O-N 2.86Å; S505-L509 VanDerWaalsContact O-N 3.11Å
506	C	95.6	Very high	96.3	Very high	65 Å²	65	29.3 Å²	29.3	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-63.2	-43.4	174.9	-69.8	0	0	0	0	111.5	V502 L503 A508 L509 I510	V502-C506 WeakPolarHBondContact O-CB 3.24Å; V502-C506 PolarHBondContact O-N 3.37Å; V502-C506 PolarHBondContact O-SG 3.25Å; L503-C506 PolarHBondContact O-N 3.06Å; C506-A508 PolarHBondContact O-N 2.97Å; C506-L509 PolarHBondContact O-N 2.9Å; C506-I510 WeakPolarHBondContact O-CG1 3.45Å; C506-I510 PolarHBondContact O-N 3.15Å; C506-I510 VanDerWaalsContact O-N 3.17Å
507	T	96.1	Very high	96.4	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44.5	176.3	-55.7	0	0	0	0	111.2	L503 L504 L509 I510 N511 L514 L518 L596	L503-T507 PolarHBondContact O-N 3.16Å; L503-T507 PolarHBondContact O-OG1 2.92Å; L504-T507 PolarHBondContact O-N 3.3Å; T507-L509 VanDerWaalsContact C-N 3.27Å; T507-L509 PolarHBondContact O-N 2.8Å; T507-I510 PolarHBondContact O-N 3.26Å; T507-N511 CarbonylContact O-C 3.59Å; T507-N511 VanDerWaalsContact O-C 3.26Å; T507-N511 WeakPolarHBondContact O-CA 3.21Å; T507-N511 PolarHBondContact O-N 2.98Å; T507-L514 HydrophobicContact CG2-CB 4.21Å; T507-L514 HydrophobicContact CG2-CD2 3.98Å; T507-L514 HydrophobicContact CG2-CG 3.89Å; T507-L518 HydrophobicContact CG2-CD1 4.39Å; T507-L596 HydrophobicContact CG2-CD2 3.71Å
508	A	95.1	Very high	96.4	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-27.5	-179.8	0	0	0	0	0	113.4	F378 L504 S505 C506 F512	F378-A508 HydrophobicContact CD1-CB 4.07Å; F378-A508 HydrophobicContact CD2-CB 3.92Å; F378-A508 HydrophobicContact CE1-CB 3.85Å; F378-A508 HydrophobicContact CE2-CB 3.68Å; F378-A508 HydrophobicContact CG-CB 4.12Å; F378-A508 HydrophobicContact CZ-CB 3.66Å; L504-A508 VanDerWaalsContact O-CB 3.28Å; L504-A508 WeakPolarHBondContact O-CB 3.18Å; L504-A508 PolarHBondContact O-N 3.42Å; S505-A508 PolarHBondContact O-N 3.08Å; C506-A508 PolarHBondContact O-N 2.97Å; A508-F512 WeakPolarHBondContact O-CA 3.11Å; A508-F512 PolarHBondContact O-N 3.1Å
509	L	92.1	Very high	96.4	Very high	120 Å²	120	26.7 Å²	26.7	63%	0.628	15%	0.151	S	C	*	.	H	α-helix	trans	-74.2	-34.9	173.7	-70.7	172.8	0	0	0	112.8	S505 C506 T507	S505-L509 WeakPolarHBondContact O-CG 3.35Å; S505-L509 PolarHBondContact O-N 2.86Å; S505-L509 VanDerWaalsContact O-N 3.11Å; C506-L509 PolarHBondContact O-N 2.9Å; T507-L509 VanDerWaalsContact C-N 3.27Å; T507-L509 PolarHBondContact O-N 2.8Å
510	I	91.8	Very high	96.4	Very high	96 Å²	96	26.8 Å²	26.8	49%	0.492	15%	0.154	S	C	.	.	H	α-helix	trans	-79.8	-48.1	177.4	-64.4	169.9	0	0	0	110.4	C506 T507	C506-I510 WeakPolarHBondContact O-CG1 3.45Å; C506-I510 PolarHBondContact O-N 3.15Å; C506-I510 VanDerWaalsContact O-N 3.17Å; T507-I510 PolarHBondContact O-N 3.26Å
511	N	95.2	Very high	96.4	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.027	16%	0.16	C	C	.	.			trans	-144.8	93	-176.7	-173.6	-27.1	0	0	0	108.8	N243 Q297 T507 S513 L514 G515	N243-N511 WeakPolarHBondContact O-CB 3.17Å; N243-N511 PolarHBondContact O-ND2 2.9Å; Q297-N511 PolarHBondContact O-ND2 3.11Å; T507-N511 CarbonylContact O-C 3.59Å; T507-N511 VanDerWaalsContact O-C 3.26Å; T507-N511 WeakPolarHBondContact O-CA 3.21Å; T507-N511 PolarHBondContact O-N 2.98Å; N511-S513 VanDerWaalsContact C-N 3.26Å; N511-S513 PolarHBondContact O-N 3.4Å; N511-S513 PolarHBondContact OD1-N 3.39Å; N511-L514 HydrophobicContact CB-CB 4.06Å; N511-L514 PolarHBondContact O-N 3.27Å; N511-L514 PolarHBondContact OD1-N 3.46Å; N511-G515 PolarHBondContact O-N 3.35Å
512	F	95.4	Very high	96.3	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.022	16%	0.157	C	C	.	.	H	α-helix	trans	-52.5	-46.3	-179.7	168.6	-96.8	0	0	0	111.9	F36 L361 Y374 M375 F378 A508 L514 G515 F516	F36-F512 HydrophobicContact CD2-CZ 4.24Å; F36-F512 AromaticContact CE2-CE1 3.67Å; F36-F512 HydrophobicContact CE2-CE1 3.67Å; F36-F512 AromaticContact CE2-CZ 3.84Å; F36-F512 HydrophobicContact CE2-CZ 3.84Å; F36-F512 HydrophobicContact CZ-CE1 4.35Å; L361-F512 HydrophobicContact CD1-CE1 4.16Å; Y374-F512 AromaticContact CD2-CD1 3.8Å; Y374-F512 HydrophobicContact CD2-CD1 3.8Å; Y374-F512 AromaticContact CD2-CD2 3.52Å; Y374-F512 HydrophobicContact CD2-CD2 3.52Å; Y374-F512 AromaticContact CD2-CE1 3.7Å; Y374-F512 HydrophobicContact CD2-CE1 3.7Å; Y374-F512 AromaticContact CD2-CE2 3.39Å; Y374-F512 HydrophobicContact CD2-CE2 3.39Å; Y374-F512 AromaticContact CD2-CG 3.71Å; Y374-F512 HydrophobicContact CD2-CG 3.71Å; Y374-F512 AromaticContact CD2-CZ 3.49Å; Y374-F512 HydrophobicContact CD2-CZ 3.49Å; Y374-F512 VanDerWaalsContact CD2-CZ 3.49Å; Y374-F512 HydrophobicContact CE2-CB 3.94Å; Y374-F512 AromaticContact CE2-CD1 3.78Å; Y374-F512 HydrophobicContact CE2-CD1 3.78Å; Y374-F512 AromaticContact CE2-CD2 3.45Å; Y374-F512 HydrophobicContact CE2-CD2 3.45Å; Y374-F512 VanDerWaalsContact CE2-CD2 3.45Å; Y374-F512 HydrophobicContact CE2-CE1 4.18Å; Y374-F512 AromaticContact CE2-CE2 3.86Å; Y374-F512 HydrophobicContact CE2-CE2 3.86Å; Y374-F512 AromaticContact CE2-CG 3.39Å; Y374-F512 HydrophobicContact CE2-CG 3.39Å; Y374-F512 HydrophobicContact CE2-CZ 4.21Å; Y374-F512 HydrophobicContact CG-CE1 4.21Å; Y374-F512 HydrophobicContact CG-CE2 4.44Å; Y374-F512 HydrophobicContact CG-CZ 4.16Å; M375-F512 HydrophobicContact CE-CD2 4.29Å; M375-F512 HydrophobicContact SD-CD2 3.95Å; M375-F512 HydrophobicContact SD-CE2 4.35Å; F378-F512 HydrophobicContact CB-CE2 3.87Å; A508-F512 WeakPolarHBondContact O-CA 3.11Å; A508-F512 PolarHBondContact O-N 3.1Å; F512-L514 PolarHBondContact O-N 2.72Å; F512-G515 PolarHBondContact O-N 3.41Å; F512-F516 HydrophobicContact CE1-CB 4.21Å; F512-F516 HydrophobicContact CE1-CG 4.48Å; F512-F516 HydrophobicContact CE2-CB 4.27Å; F512-F516 HydrophobicContact CZ-CB 3.99Å; F512-F516 HydrophobicContact CZ-CD2 4.14Å; F512-F516 HydrophobicContact CZ-CG 4.07Å; F512-F516 VanDerWaalsContact O-CB 3.29Å; F512-F516 WeakPolarHBondContact O-CB 3.4Å; F512-F516 PolarHBondContact O-N 2.92Å
513	S	96.6	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-44.5	-175.6	-67.9	0	0	0	0	112.5	V294 Q297 N511 I517	V294-S513 WeakPolarHBondContact CA-OG 3.48Å; V294-S513 WeakPolarHBondContact O-CB 3.49Å; Q297-S513 PolarHBondContact OE1-OG 3.35Å; N511-S513 VanDerWaalsContact C-N 3.26Å; N511-S513 PolarHBondContact O-N 3.4Å; N511-S513 PolarHBondContact OD1-N 3.39Å; S513-I517 WeakPolarHBondContact O-CG1 3.38Å; S513-I517 PolarHBondContact O-N 2.7Å
514	L	96.9	Very high	96.1	Very high	16 Å²	16	23.3 Å²	23.3	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-46	173.5	-179.1	60.8	0	0	0	111.5	A298 T507 N511 F512 F516 I517 L518 V593 L596	A298-L514 HydrophobicContact CB-CB 4.33Å; T507-L514 HydrophobicContact CG2-CB 4.21Å; T507-L514 HydrophobicContact CG2-CD2 3.98Å; T507-L514 HydrophobicContact CG2-CG 3.89Å; N511-L514 HydrophobicContact CB-CB 4.06Å; N511-L514 PolarHBondContact O-N 3.27Å; N511-L514 PolarHBondContact OD1-N 3.46Å; F512-L514 PolarHBondContact O-N 2.72Å; L514-F516 VanDerWaalsContact C-N 3.31Å; L514-F516 PolarHBondContact O-N 3.41Å; L514-I517 PolarHBondContact O-N 3.07Å; L514-L518 HydrophobicContact CD1-CD1 4.07Å; L514-L518 HydrophobicContact CD1-CG 4.15Å; L514-L518 HydrophobicContact CG-CD1 4.03Å; L514-L518 HydrophobicContact CG-CG 4.48Å; L514-L518 WeakPolarHBondContact O-CB 3.42Å; L514-L518 VanDerWaalsContact O-CG 3.29Å; L514-L518 WeakPolarHBondContact O-CG 3.44Å; L514-L518 PolarHBondContact O-N 2.79Å; L514-V593 HydrophobicContact CD2-CG1 4.38Å; L514-V593 HydrophobicContact CD2-CG2 4.17Å; L514-L596 HydrophobicContact CD2-CD2 3.82Å
515	G	97	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-38.8	179.4	0	0	0	0	0	112.8	N511 F512 A519	N511-G515 PolarHBondContact O-N 3.35Å; F512-G515 PolarHBondContact O-N 3.41Å; G515-A519 VanDerWaalsContact O-CB 3.26Å; G515-A519 WeakPolarHBondContact O-CB 3.44Å; G515-A519 PolarHBondContact O-N 2.8Å
516	F	97.4	Very high	95.8	Very high	6 Å²	6	21 Å²	21	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-69.7	-46.9	177.8	-176.2	-106.2	0	0	0	112	F36 A377 F378 L381 F512 L514 L518 A519 L520	F36-F516 HydrophobicContact CB-CE1 4.13Å; F36-F516 HydrophobicContact CB-CE2 4.19Å; F36-F516 HydrophobicContact CB-CZ 3.5Å; F36-F516 HydrophobicContact CD1-CD1 4.3Å; F36-F516 AromaticContact CD1-CE1 3.37Å; F36-F516 HydrophobicContact CD1-CE1 3.37Å; F36-F516 AromaticContact CD1-CZ 3.71Å; F36-F516 HydrophobicContact CD1-CZ 3.71Å; F36-F516 HydrophobicContact CD2-CD1 4.38Å; F36-F516 AromaticContact CD2-CE1 3.89Å; F36-F516 HydrophobicContact CD2-CE1 3.89Å; F36-F516 HydrophobicContact CD2-CE2 4.22Å; F36-F516 AromaticContact CD2-CZ 3.82Å; F36-F516 HydrophobicContact CD2-CZ 3.82Å; F36-F516 HydrophobicContact CE1-CD1 4.16Å; F36-F516 AromaticContact CE1-CE1 3.64Å; F36-F516 HydrophobicContact CE1-CE1 3.64Å; F36-F516 HydrophobicContact CE1-CZ 4.38Å; F36-F516 HydrophobicContact CE2-CD1 4.31Å; F36-F516 HydrophobicContact CE2-CE1 4.18Å; F36-F516 HydrophobicContact CG-CD1 4.39Å; F36-F516 AromaticContact CG-CE1 3.5Å; F36-F516 HydrophobicContact CG-CE1 3.5Å; F36-F516 VanDerWaalsContact CG-CE1 3.5Å; F36-F516 HydrophobicContact CG-CE2 4.16Å; F36-F516 AromaticContact CG-CZ 3.37Å; F36-F516 HydrophobicContact CG-CZ 3.37Å; F36-F516 HydrophobicContact CZ-CD1 4.18Å; F36-F516 HydrophobicContact CZ-CE1 4.04Å; A377-F516 HydrophobicContact CB-CE2 4Å; F378-F516 HydrophobicContact CB-CD2 4.47Å; L381-F516 HydrophobicContact CD1-CD2 4.05Å; L381-F516 HydrophobicContact CD1-CE2 3.75Å; F512-F516 HydrophobicContact CE1-CB 4.21Å; F512-F516 HydrophobicContact CE1-CG 4.48Å; F512-F516 HydrophobicContact CE2-CB 4.27Å; F512-F516 HydrophobicContact CZ-CB 3.99Å; F512-F516 HydrophobicContact CZ-CD2 4.14Å; F512-F516 HydrophobicContact CZ-CG 4.07Å; F512-F516 VanDerWaalsContact O-CB 3.29Å; F512-F516 WeakPolarHBondContact O-CB 3.4Å; F512-F516 PolarHBondContact O-N 2.92Å; L514-F516 VanDerWaalsContact C-N 3.31Å; L514-F516 PolarHBondContact O-N 3.41Å; F516-L518 VanDerWaalsContact C-N 3.34Å; F516-L518 PolarHBondContact O-N 3.21Å; F516-A519 WeakPolarHBondContact O-CB 3.1Å; F516-A519 PolarHBondContact O-N 3.48Å; F516-A519 VanDerWaalsContact O-N 3.14Å; F516-L520 HydrophobicContact CD1-CD1 3.96Å; F516-L520 HydrophobicContact CD1-CG 4.35Å; F516-L520 HydrophobicContact CE1-CD1 3.5Å; F516-L520 HydrophobicContact CE1-CD2 4.38Å; F516-L520 HydrophobicContact CE1-CG 4Å; F516-L520 HydrophobicContact CE2-CD2 4.46Å; F516-L520 HydrophobicContact CZ-CD1 3.99Å; F516-L520 HydrophobicContact CZ-CD2 4.01Å; F516-L520 HydrophobicContact CZ-CG 4.07Å; F516-L520 WeakPolarHBondContact O-CG 3.26Å; F516-L520 PolarHBondContact O-N 2.9Å
517	I	97.8	Very high	95.6	Very high	22 Å²	22	18.3 Å²	18.3	11%	0.113	10%	0.099	C	C	.	.	H	α-helix	trans	-59.9	-45	176.1	-69.2	172	0	0	0	110.8	V294 M295 A298 S513 L514 A519 L520 T521 T550	V294-I517 HydrophobicContact CG1-CD1 4.26Å; M295-I517 HydrophobicContact CE-CD1 4.43Å; M295-I517 HydrophobicContact SD-CD1 3.72Å; A298-I517 HydrophobicContact CB-CD1 3.62Å; S513-I517 WeakPolarHBondContact O-CG1 3.38Å; S513-I517 PolarHBondContact O-N 2.7Å; L514-I517 PolarHBondContact O-N 3.07Å; I517-A519 VanDerWaalsContact C-N 3.33Å; I517-A519 PolarHBondContact O-N 3.39Å; I517-L520 PolarHBondContact O-N 3.4Å; I517-T521 PolarHBondContact O-N 2.79Å; I517-T521 PolarHBondContact O-OG1 3.43Å; I517-T550 HydrophobicContact CG2-CG2 3.64Å
518	L	97.9	Very high	95.2	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-36.1	175.9	-69.2	177.3	0	0	0	112.1	L504 T507 L514 F516 T521 L522 V601	L504-L518 HydrophobicContact CD2-CB 3.54Å; T507-L518 HydrophobicContact CG2-CD1 4.39Å; L514-L518 HydrophobicContact CD1-CD1 4.07Å; L514-L518 HydrophobicContact CD1-CG 4.15Å; L514-L518 HydrophobicContact CG-CD1 4.03Å; L514-L518 HydrophobicContact CG-CG 4.48Å; L514-L518 WeakPolarHBondContact O-CB 3.42Å; L514-L518 VanDerWaalsContact O-CG 3.29Å; L514-L518 WeakPolarHBondContact O-CG 3.44Å; L514-L518 PolarHBondContact O-N 2.79Å; F516-L518 VanDerWaalsContact C-N 3.34Å; F516-L518 PolarHBondContact O-N 3.21Å; L518-T521 PolarHBondContact O-N 3.47Å; L518-T521 PolarHBondContact O-OG1 2.82Å; L518-L522 HydrophobicContact CB-CD1 4.29Å; L518-L522 HydrophobicContact CD2-CD1 4.31Å; L518-L522 WeakPolarHBondContact O-CB 3.09Å; L518-L522 WeakPolarHBondContact O-CG 3.18Å; L518-L522 PolarHBondContact O-N 3.25Å; L518-V601 HydrophobicContact CD1-CG2 3.99Å; L518-V601 HydrophobicContact CD2-CG1 4.23Å
519	A	97.9	Very high	95	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-41	175.1	0	0	0	0	0	111.8	F378 L381 L504 G515 F516 I517 T521 V523	F378-A519 HydrophobicContact CD2-CB 4.16Å; F378-A519 HydrophobicContact CE2-CB 4.02Å; L381-A519 HydrophobicContact CB-CB 4.25Å; L381-A519 HydrophobicContact CD1-CB 3.79Å; L504-A519 HydrophobicContact CD1-CB 4.02Å; G515-A519 VanDerWaalsContact O-CB 3.26Å; G515-A519 WeakPolarHBondContact O-CB 3.44Å; G515-A519 PolarHBondContact O-N 2.8Å; F516-A519 WeakPolarHBondContact O-CB 3.1Å; F516-A519 PolarHBondContact O-N 3.48Å; F516-A519 VanDerWaalsContact O-N 3.14Å; I517-A519 VanDerWaalsContact C-N 3.33Å; I517-A519 PolarHBondContact O-N 3.39Å; A519-T521 PolarHBondContact O-N 2.93Å; A519-V523 HydrophobicContact CB-CG2 4.1Å; A519-V523 WeakPolarHBondContact O-CB 3.38Å; A519-V523 WeakPolarHBondContact O-CG2 3.45Å; A519-V523 PolarHBondContact O-N 2.68Å; A519-V523 VanDerWaalsContact O-N 3.09Å
520	L	97.3	Very high	94.9	Very high	44 Å²	44	21 Å²	21	23%	0.23	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-35.7	177.8	-74.6	177.4	0	0	0	112.7	Y29 V33 L381 F516 I517 P524	Y29-L520 PolarHBondContact OH-O 2.89Å; V33-L520 HydrophobicContact CG2-CD2 3.6Å; L381-L520 HydrophobicContact CD1-CD2 3.91Å; L381-L520 HydrophobicContact CD1-CG 4.32Å; F516-L520 HydrophobicContact CD1-CD1 3.96Å; F516-L520 HydrophobicContact CD1-CG 4.35Å; F516-L520 HydrophobicContact CE1-CD1 3.5Å; F516-L520 HydrophobicContact CE1-CD2 4.38Å; F516-L520 HydrophobicContact CE1-CG 4Å; F516-L520 HydrophobicContact CE2-CD2 4.46Å; F516-L520 HydrophobicContact CZ-CD1 3.99Å; F516-L520 HydrophobicContact CZ-CD2 4.01Å; F516-L520 HydrophobicContact CZ-CG 4.07Å; F516-L520 WeakPolarHBondContact O-CG 3.26Å; F516-L520 PolarHBondContact O-N 2.9Å; I517-L520 PolarHBondContact O-N 3.4Å; L520-P524 WeakPolarHBondContact O-CD 3.48Å; L520-P524 WeakPolarHBondContact O-CG 3.48Å
521	T	96.3	Very high	94.7	Very high	22 Å²	22	17 Å²	17	14%	0.135	9%	0.089	C	C	.	.	H	α-helix	trans	-93.8	-40.9	-177.8	61.1	0	0	0	0	113.5	I517 L518 A519 T550	I517-T521 PolarHBondContact O-N 2.79Å; I517-T521 PolarHBondContact O-OG1 3.43Å; L518-T521 PolarHBondContact O-N 3.47Å; L518-T521 PolarHBondContact O-OG1 2.82Å; A519-T521 PolarHBondContact O-N 2.93Å; T521-T550 WeakPolarHBondContact CB-OG1 3.49Å; T521-T550 HydrophobicContact CG2-CG2 3.8Å; T521-T550 WeakPolarHBondContact CG2-OG1 3.37Å; T521-T550 PolarHBondContact OG1-OG1 3.06Å
522	L	97.2	Very high	94.4	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-88.6	-26.9	-173	-59.7	175.9	0	0	0	114.4	L500 L518 V525 A526 V601	L500-L522 HydrophobicContact CD1-CB 4.09Å; L500-L522 HydrophobicContact CD1-CD1 3.97Å; L500-L522 HydrophobicContact CD2-CB 4.07Å; L518-L522 HydrophobicContact CB-CD1 4.29Å; L518-L522 HydrophobicContact CD2-CD1 4.31Å; L518-L522 WeakPolarHBondContact O-CB 3.09Å; L518-L522 WeakPolarHBondContact O-CG 3.18Å; L518-L522 PolarHBondContact O-N 3.25Å; L522-V525 WeakPolarHBondContact O-CB 3.49Å; L522-V525 PolarHBondContact O-N 2.91Å; L522-A526 PolarHBondContact O-N 2.53Å; L522-V601 HydrophobicContact CD1-CG1 3.53Å
523	V	97	Very high	94	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-43	177.2	174.3	0	0	0	0	112	L381 I384 L385 L504 A519 V525 A526 A527	L381-V523 HydrophobicContact CB-CG2 4.45Å; I384-V523 HydrophobicContact CB-CG1 3.72Å; I384-V523 HydrophobicContact CD1-CG1 3.8Å; I384-V523 HydrophobicContact CG1-CG1 4.34Å; I384-V523 HydrophobicContact CG2-CG1 3.65Å; L385-V523 HydrophobicContact CD1-CG2 4.13Å; L385-V523 HydrophobicContact CD2-CB 4.47Å; L385-V523 HydrophobicContact CD2-CG1 4.19Å; L385-V523 HydrophobicContact CD2-CG2 4.19Å; L385-V523 HydrophobicContact CG-CG1 4.46Å; L385-V523 HydrophobicContact CG-CG2 4.14Å; L504-V523 HydrophobicContact CD1-CG2 3.9Å; A519-V523 HydrophobicContact CB-CG2 4.1Å; A519-V523 WeakPolarHBondContact O-CB 3.38Å; A519-V523 WeakPolarHBondContact O-CG2 3.45Å; A519-V523 PolarHBondContact O-N 2.68Å; A519-V523 VanDerWaalsContact O-N 3.09Å; V523-V525 VanDerWaalsContact C-N 3.31Å; V523-V525 PolarHBondContact O-N 2.98Å; V523-A526 PolarHBondContact O-N 3.49Å; V523-A527 WeakPolarHBondContact O-CB 3.38Å; V523-A527 PolarHBondContact O-N 3.23Å
524	P	94.4	Very high	93.7	Very high	20 Å²	20	28.4 Å²	28.4	13%	0.13	15%	0.151	C	C	.	.	H	α-helix	trans	-57	-42.9	171.6	-26.8	35.5	0	0	0	112.8	Y29 L520 A526 A527 F528 L545	Y29-P524 HydrophobicContact CD2-CG 4.2Å; Y29-P524 HydrophobicContact CE2-CG 3.48Å; Y29-P524 VanDerWaalsContact CE2-CG 3.48Å; L520-P524 WeakPolarHBondContact O-CD 3.48Å; L520-P524 WeakPolarHBondContact O-CG 3.48Å; P524-A526 PolarHBondContact O-N 2.84Å; P524-A527 PolarHBondContact O-N 3.16Å; P524-F528 HydrophobicContact CB-CD2 4.41Å; P524-F528 WeakPolarHBondContact O-CD2 3.18Å; P524-F528 PolarHBondContact O-N 3.44Å; P524-L545 HydrophobicContact CB-CD1 4.21Å
525	V	92.9	Very high	93.3	Very high	2 Å²	2	32 Å²	32	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-52.4	176.4	175	0	0	0	0	110.2	L522 V523 A527 F528 V529 L542 L545 F608	L522-V525 WeakPolarHBondContact O-CB 3.49Å; L522-V525 PolarHBondContact O-N 2.91Å; V523-V525 VanDerWaalsContact C-N 3.31Å; V523-V525 PolarHBondContact O-N 2.98Å; V525-A527 VanDerWaalsContact C-N 3.3Å; V525-A527 PolarHBondContact O-N 3.23Å; V525-F528 PolarHBondContact O-N 2.97Å; V525-V529 HydrophobicContact CG1-CG2 3.87Å; V525-V529 WeakPolarHBondContact O-CB 3.25Å; V525-V529 WeakPolarHBondContact O-CG2 3.05Å; V525-V529 PolarHBondContact O-N 3.03Å; V525-V529 VanDerWaalsContact O-N 3.11Å; V525-L542 HydrophobicContact CG1-CD1 4.37Å; V525-L542 HydrophobicContact CG1-CD2 4.31Å; V525-L542 HydrophobicContact CG1-CG 3.95Å; V525-L545 HydrophobicContact CG2-CB 3.57Å; V525-L545 HydrophobicContact CG2-CD1 3.8Å; V525-L545 HydrophobicContact CG2-CG 4.36Å; V525-F608 HydrophobicContact CG1-CB 3.82Å; V525-F608 HydrophobicContact CG1-CD2 4.16Å; V525-F608 HydrophobicContact CG1-CG 4.04Å
526	A	93.6	Very high	92.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-36.7	179.6	0	0	0	0	0	113.3	L385 K493 V497 L500 L522 V523 P524 F608	L385-A526 HydrophobicContact CD2-CB 3.54Å; K493-A526 WeakPolarHBondContact CE-O 3.29Å; K493-A526 PolarHBondContact NZ-O 3.44Å; V497-A526 HydrophobicContact CG2-CB 4.3Å; L500-A526 HydrophobicContact CD2-CB 3.63Å; L522-A526 PolarHBondContact O-N 2.53Å; V523-A526 PolarHBondContact O-N 3.49Å; P524-A526 PolarHBondContact O-N 2.84Å; A526-F608 HydrophobicContact CB-CE1 3.89Å; A526-F608 HydrophobicContact CB-CE2 4.2Å; A526-F608 HydrophobicContact CB-CZ 3.61Å
527	A	91.5	Very high	92.6	Very high	8 Å²	8	42.5 Å²	42.5	7%	0.066	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-44.5	-179.5	0	0	0	0	0	112.7	I384 R388 V523 P524 V525	I384-A527 HydrophobicContact CG2-CB 4.06Å; R388-A527 HydrophobicContact CG-CB 4.48Å; V523-A527 WeakPolarHBondContact O-CB 3.38Å; V523-A527 PolarHBondContact O-N 3.23Å; P524-A527 PolarHBondContact O-N 3.16Å; V525-A527 VanDerWaalsContact C-N 3.3Å; V525-A527 PolarHBondContact O-N 3.23Å
528	F	88.5	Confident	92.4	Very high	147 Å²	147	42.6 Å²	42.6	65%	0.645	23%	0.229	S	C	*	.	H	α-helix	trans	-94.1	-27	-169.1	-69.4	-65	0	0	0	115.3	P524 V525 T530	P524-F528 HydrophobicContact CB-CD2 4.41Å; P524-F528 WeakPolarHBondContact O-CD2 3.18Å; P524-F528 PolarHBondContact O-N 3.44Å; V525-F528 PolarHBondContact O-N 2.97Å; F528-T530 PolarHBondContact O-N 3.39Å
529	V	91.3	Very high	92.1	Very high	3 Å²	3	43 Å²	43	2%	0.018	23%	0.233	C	C	.	.			trans	-64.4	121.5	-171.7	168.1	0	0	0	0	112.4	K493 V525 L542 F608 I611 L612	K493-V529 WeakPolarHBondContact CD-O 3.46Å; K493-V529 VanDerWaalsContact CE-O 3.23Å; K493-V529 WeakPolarHBondContact CE-O 3.1Å; K493-V529 PolarHBondContact NZ-O 3.29Å; V525-V529 HydrophobicContact CG1-CG2 3.87Å; V525-V529 WeakPolarHBondContact O-CB 3.25Å; V525-V529 WeakPolarHBondContact O-CG2 3.05Å; V525-V529 PolarHBondContact O-N 3.03Å; V525-V529 VanDerWaalsContact O-N 3.11Å; V529-L542 HydrophobicContact CG2-CD1 3.49Å; V529-L542 VanDerWaalsContact CG2-CD1 3.49Å; V529-L542 HydrophobicContact CG2-CD2 3.72Å; V529-L542 HydrophobicContact CG2-CG 4.01Å; V529-F608 HydrophobicContact CG1-CB 4.33Å; V529-F608 WeakPolarHBondContact CG1-O 3.42Å; V529-F608 HydrophobicContact CG2-CB 4.43Å; V529-I611 HydrophobicContact CG1-CB 4Å; V529-I611 HydrophobicContact CG1-CG2 3.85Å; V529-L612 HydrophobicContact CG1-CB 4.4Å
530	T	89.9	Confident	92	Very high	33 Å²	33	47 Å²	47	20%	0.202	26%	0.257	C	S	.	.			trans	-147.2	162.8	169.6	61.7	0	0	0	0	108.3	W489 F528 H532 V533	W489-T530 HydrophobicContact CH2-CG2 3.95Å; W489-T530 HydrophobicContact CZ3-CG2 3.96Å; F528-T530 PolarHBondContact O-N 3.39Å; T530-H532 PolarHBondContact O-N 2.93Å; T530-V533 WeakPolarHBondContact O-CG2 3.36Å; T530-V533 WeakPolarHBondContact OG1-CG1 3.46Å
531	P	87.3	Confident	91.8	Very high	14 Å²	14	48 Å²	48	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15	177.1	25.5	-33.7	0	0	0	114.2	W489 W614	W489-P531 HydrophobicContact CD2-CG 3.72Å; W489-P531 HydrophobicContact CE3-CG 4.29Å; W489-P531 HydrophobicContact CG-CG 3.93Å; W489-P531 HydrophobicContact CZ2-CG 4.13Å; P531-W614 HydrophobicContact CB-CB 4.16Å
532	H	87.8	Confident	91.7	Very high	126 Å²	126	47.2 Å²	47.2	58%	0.583	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-3	-171.7	-59.1	-53.6	0	0	0	114.2	E486 T530	E486-H532 IonicContact OE1-CE1 3.23Å; E486-H532 PolarHBondContact OE1-CE1 3.31Å; E486-H532 IonicContact OE1-NE2 3.63Å; E486-H532 PolarHBondContact OE1-NE2 3.32Å; E486-H532 IonicContact OE2-NE2 2.86Å; T530-H532 PolarHBondContact O-N 2.93Å
533	V	88.4	Confident	91.6	Very high	39 Å²	39	48.8 Å²	48.8	24%	0.236	27%	0.27	C	S	.	.	S	Bend	trans	-82.6	159.1	177.3	-63.1	0	0	0	0	111.5	T530 K535 S538 L612	T530-V533 WeakPolarHBondContact O-CG2 3.36Å; T530-V533 WeakPolarHBondContact OG1-CG1 3.46Å; V533-K535 PolarHBondContact O-N 2.9Å; V533-S538 WeakPolarHBondContact CG2-OG 3.46Å; V533-L612 HydrophobicContact CG2-CD1 3.44Å; V533-L612 VanDerWaalsContact CG2-CD1 3.44Å
534	P	89.8	Confident	91.6	Very high	84 Å²	84	52.2 Å²	52.2	55%	0.545	29%	0.287	S	S	.	.			trans	-57.8	107.9	173.9	23.3	-35.6	0	0	0	111.6	T536 L537 S538	P534-T536 PolarHBondContact O-N 3.44Å; P534-L537 HydrophobicContact CB-CB 4.45Å; P534-L537 HydrophobicContact CG-CB 4.4Å; P534-L537 HydrophobicContact CG-CD2 4.46Å; P534-L537 PolarHBondContact O-N 3.48Å; P534-S538 WeakPolarHBondContact O-CB 3.43Å; P534-S538 PolarHBondContact O-N 3.43Å; P534-S538 PolarHBondContact O-OG 3.01Å
535	K	87.6	Confident	91.6	Very high	90 Å²	90	53.3 Å²	53.3	39%	0.391	29%	0.292	S	S	.	.	H	α-helix	trans	-54.8	-45.4	-170.1	-66.4	-176.5	176.9	-175.3	0	113.8	V533 A539	V533-K535 PolarHBondContact O-N 2.9Å; K535-A539 WeakPolarHBondContact O-CB 3.47Å; K535-A539 PolarHBondContact O-N 2.86Å
536	T	89.7	Confident	91.7	Very high	116 Å²	116	53.3 Å²	53.3	71%	0.712	29%	0.292	S	S	*	.	H	α-helix	trans	-66.8	-51.4	-176.5	49.2	0	0	0	0	112.1	P534 A539 V540	P534-T536 PolarHBondContact O-N 3.44Å; T536-A539 PolarHBondContact O-N 3.47Å; T536-V540 WeakPolarHBondContact O-CG2 3.44Å; T536-V540 PolarHBondContact O-N 2.84Å; T536-V540 VanDerWaalsContact O-N 3.1Å
537	L	91.7	Very high	91.9	Very high	112 Å²	112	53.6 Å²	53.6	59%	0.586	29%	0.294	S	S	*	.	H	α-helix	trans	-62.6	-47.7	179.4	-179.8	64.3	0	0	0	111.1	P534 A539 V540 V541	P534-L537 HydrophobicContact CB-CB 4.45Å; P534-L537 HydrophobicContact CG-CB 4.4Å; P534-L537 HydrophobicContact CG-CD2 4.46Å; P534-L537 PolarHBondContact O-N 3.48Å; L537-A539 VanDerWaalsContact C-N 3.32Å; L537-A539 PolarHBondContact O-N 3.37Å; L537-V540 PolarHBondContact O-N 2.96Å; L537-V541 WeakPolarHBondContact O-CG2 3.39Å; L537-V541 PolarHBondContact O-N 3.5Å
538	S	92	Very high	92.1	Very high	23 Å²	23	54 Å²	54	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-34.5	179.1	-64.4	0	0	0	0	112.4	V533 P534 V541 L542	V533-S538 WeakPolarHBondContact CG2-OG 3.46Å; P534-S538 WeakPolarHBondContact O-CB 3.43Å; P534-S538 PolarHBondContact O-N 3.43Å; P534-S538 PolarHBondContact O-OG 3.01Å; S538-V541 PolarHBondContact O-N 3.42Å; S538-L542 WeakPolarHBondContact O-CB 3.46Å; S538-L542 WeakPolarHBondContact O-CD1 3.18Å; S538-L542 PolarHBondContact O-N 2.85Å
539	A	93.1	Very high	92.4	Very high	13 Å²	13	50.6 Å²	50.6	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-45.6	174.5	0	0	0	0	0	111.6	K535 T536 L537 V541 L542 V543 W609 L612 F613	K535-A539 WeakPolarHBondContact O-CB 3.47Å; K535-A539 PolarHBondContact O-N 2.86Å; T536-A539 PolarHBondContact O-N 3.47Å; L537-A539 VanDerWaalsContact C-N 3.32Å; L537-A539 PolarHBondContact O-N 3.37Å; A539-V541 PolarHBondContact O-N 3.43Å; A539-L542 PolarHBondContact O-N 3.32Å; A539-V543 WeakPolarHBondContact O-CG2 3.34Å; A539-V543 PolarHBondContact O-N 3.25Å; A539-W609 HydrophobicContact CB-CH2 3.83Å; A539-W609 HydrophobicContact CB-CZ3 3.93Å; A539-L612 HydrophobicContact CB-CD2 3.87Å; A539-F613 HydrophobicContact CB-CE2 4.45Å; A539-F613 HydrophobicContact CB-CZ 3.96Å
540	V	94.4	Very high	92.7	Very high	85 Å²	85	50.8 Å²	50.8	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-47.3	176.1	172.6	0	0	0	0	110.7	T536 L537 L542 V543 I544	T536-V540 WeakPolarHBondContact O-CG2 3.44Å; T536-V540 PolarHBondContact O-N 2.84Å; T536-V540 VanDerWaalsContact O-N 3.1Å; L537-V540 PolarHBondContact O-N 2.96Å; V540-L542 VanDerWaalsContact C-N 3.33Å; V540-L542 PolarHBondContact O-N 2.88Å; V540-V543 PolarHBondContact O-N 3.49Å; V540-I544 HydrophobicContact CG1-CD1 3.8Å; V540-I544 HydrophobicContact CG1-CG1 4.49Å; V540-I544 VanDerWaalsContact O-CG1 3.32Å; V540-I544 WeakPolarHBondContact O-CG1 3.28Å; V540-I544 PolarHBondContact O-N 3Å
541	V	94.1	Very high	93	Very high	65 Å²	65	51.8 Å²	51.8	39%	0.394	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-41.8	177.6	172.7	0	0	0	0	111.5	L537 S538 A539 V543 I544 L545	L537-V541 WeakPolarHBondContact O-CG2 3.39Å; L537-V541 PolarHBondContact O-N 3.5Å; S538-V541 PolarHBondContact O-N 3.42Å; A539-V541 PolarHBondContact O-N 3.43Å; V541-V543 PolarHBondContact O-N 3.5Å; V541-I544 PolarHBondContact O-N 3.19Å; V541-L545 HydrophobicContact CG1-CD1 3.88Å; V541-L545 HydrophobicContact CG1-CG 4.44Å; V541-L545 WeakPolarHBondContact O-CB 3.33Å; V541-L545 WeakPolarHBondContact O-CG 3.48Å; V541-L545 PolarHBondContact O-N 2.9Å
542	L	94.4	Very high	93.5	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-41.1	178.2	-99.4	67.9	0	0	0	112.2	V525 V529 S538 A539 V540 L545 S546 W605 W609 L612	V525-L542 HydrophobicContact CG1-CD1 4.37Å; V525-L542 HydrophobicContact CG1-CD2 4.31Å; V525-L542 HydrophobicContact CG1-CG 3.95Å; V529-L542 HydrophobicContact CG2-CD1 3.49Å; V529-L542 VanDerWaalsContact CG2-CD1 3.49Å; V529-L542 HydrophobicContact CG2-CD2 3.72Å; V529-L542 HydrophobicContact CG2-CG 4.01Å; S538-L542 WeakPolarHBondContact O-CB 3.46Å; S538-L542 WeakPolarHBondContact O-CD1 3.18Å; S538-L542 PolarHBondContact O-N 2.85Å; A539-L542 PolarHBondContact O-N 3.32Å; V540-L542 VanDerWaalsContact C-N 3.33Å; V540-L542 PolarHBondContact O-N 2.88Å; L542-L545 CarbonylContact O-C 3.5Å; L542-L545 PolarHBondContact O-N 3.11Å; L542-S546 PolarHBondContact O-N 3.31Å; L542-W605 HydrophobicContact CB-CZ2 4.15Å; L542-W605 VanDerWaalsContact O-CZ2 3.28Å; L542-W605 WeakPolarHBondContact O-CZ2 3.36Å; L542-W605 PolarHBondContact O-NE1 3.21Å; L542-W605 VanDerWaalsContact O-NE1 3.11Å; L542-W609 HydrophobicContact CB-CE3 4.1Å; L542-W609 HydrophobicContact CB-CZ3 4.1Å; L542-W609 HydrophobicContact CD2-CE3 4.04Å; L542-L612 HydrophobicContact CD2-CB 4.46Å; L542-L612 HydrophobicContact CD2-CD2 4.14Å
543	V	95	Very high	93.9	Very high	37 Å²	37	50.9 Å²	50.9	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-43.6	176.9	170.8	0	0	0	0	110.6	A539 V540 V541 L545 S546 F549 W609	A539-V543 WeakPolarHBondContact O-CG2 3.34Å; A539-V543 PolarHBondContact O-N 3.25Å; V540-V543 PolarHBondContact O-N 3.49Å; V541-V543 PolarHBondContact O-N 3.5Å; V543-L545 VanDerWaalsContact C-N 3.28Å; V543-L545 PolarHBondContact O-N 3.17Å; V543-S546 WeakPolarHBondContact O-CB 3.23Å; V543-S546 PolarHBondContact O-N 3.22Å; V543-S546 VanDerWaalsContact O-N 3.08Å; V543-S546 PolarHBondContact O-OG 3.35Å; V543-F549 HydrophobicContact CG1-CD2 3.96Å; V543-F549 HydrophobicContact CG1-CE2 3.6Å; V543-F549 HydrophobicContact CG1-CZ 4.41Å; V543-F549 WeakPolarHBondContact O-CD2 3.34Å; V543-W609 HydrophobicContact CG2-CH2 3.86Å; V543-W609 HydrophobicContact CG2-CZ3 3.78Å
544	I	95.6	Very high	94.3	Very high	73 Å²	73	50.1 Å²	50.1	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-38.7	175.5	-69.1	169.5	0	0	0	111.1	V540 V541 S546 F549 F553	V540-I544 HydrophobicContact CG1-CD1 3.8Å; V540-I544 HydrophobicContact CG1-CG1 4.49Å; V540-I544 VanDerWaalsContact O-CG1 3.32Å; V540-I544 WeakPolarHBondContact O-CG1 3.28Å; V540-I544 PolarHBondContact O-N 3Å; V541-I544 PolarHBondContact O-N 3.19Å; I544-S546 VanDerWaalsContact C-N 3.26Å; I544-S546 PolarHBondContact O-N 3.21Å; I544-F549 WeakPolarHBondContact O-CB 3.31Å; I544-F553 HydrophobicContact CG2-CE2 3.83Å; I544-F553 HydrophobicContact CG2-CZ 3.98Å
545	L	95.2	Very high	94.6	Very high	42 Å²	42	46.7 Å²	46.7	22%	0.22	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	13.4	177.2	-63	177.8	0	0	0	113.5	P524 V525 V541 L542 V543	P524-L545 HydrophobicContact CB-CD1 4.21Å; V525-L545 HydrophobicContact CG2-CB 3.57Å; V525-L545 HydrophobicContact CG2-CD1 3.8Å; V525-L545 HydrophobicContact CG2-CG 4.36Å; V541-L545 HydrophobicContact CG1-CD1 3.88Å; V541-L545 HydrophobicContact CG1-CG 4.44Å; V541-L545 WeakPolarHBondContact O-CB 3.33Å; V541-L545 WeakPolarHBondContact O-CG 3.48Å; V541-L545 PolarHBondContact O-N 2.9Å; L542-L545 CarbonylContact O-C 3.5Å; L542-L545 PolarHBondContact O-N 3.11Å; V543-L545 VanDerWaalsContact C-N 3.28Å; V543-L545 PolarHBondContact O-N 3.17Å
546	S	95.9	Very high	95	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.014	25%	0.248	C	C	.	.	S	Bend	trans	-76.4	160	179.3	75.7	0	0	0	0	111.9	Y466 L542 V543 I544 A548 F549 T550	Y466-S546 VanDerWaalsContact OH-CB 3.22Å; Y466-S546 WeakPolarHBondContact OH-CB 3.23Å; Y466-S546 PolarHBondContact OH-OG 2.81Å; Y466-S546 VanDerWaalsContact OH-OG 3.12Å; L542-S546 PolarHBondContact O-N 3.31Å; V543-S546 WeakPolarHBondContact O-CB 3.23Å; V543-S546 PolarHBondContact O-N 3.22Å; V543-S546 VanDerWaalsContact O-N 3.08Å; V543-S546 PolarHBondContact O-OG 3.35Å; I544-S546 VanDerWaalsContact C-N 3.26Å; I544-S546 PolarHBondContact O-N 3.21Å; S546-A548 VanDerWaalsContact C-N 3.28Å; S546-A548 PolarHBondContact O-N 2.95Å; S546-F549 PolarHBondContact O-N 3.43Å; S546-T550 WeakPolarHBondContact O-CB 3.21Å; S546-T550 PolarHBondContact O-N 3.35Å; S546-T550 PolarHBondContact O-OG1 3.25Å
547	P	95.9	Very high	95.4	Very high	7 Å²	7	44 Å²	44	5%	0.045	23%	0.234	C	C	.	.	H	α-helix	trans	-55.9	-38.6	177.9	-28.7	36.7	0	0	0	114	Y466 T550 L551 I597 V601 W605	Y466-P547 WeakPolarHBondContact OH-CD 3.43Å; P547-T550 WeakPolarHBondContact O-CB 3.44Å; P547-T550 PolarHBondContact O-N 3.22Å; P547-L551 PolarHBondContact O-N 3.42Å; P547-I597 HydrophobicContact CB-CG2 4.27Å; P547-V601 HydrophobicContact CB-CG1 4.26Å; P547-V601 HydrophobicContact CG-CG1 3.62Å; P547-W605 HydrophobicContact CG-CB 4.42Å
548	A	95.8	Very high	95.6	Very high	17 Å²	17	40 Å²	40	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-46.7	176.8	0	0	0	0	0	112.5	Y466 S546 L551 L552 Y575	Y466-A548 HydrophobicContact CD1-CB 4.31Å; Y466-A548 HydrophobicContact CE1-CB 3.61Å; Y466-A548 HydrophobicContact CE2-CB 3.96Å; Y466-A548 WeakPolarHBondContact OH-CB 3.35Å; Y466-A548 PolarHBondContact OH-N 3.28Å; Y466-A548 VanDerWaalsContact OH-N 3.15Å; S546-A548 VanDerWaalsContact C-N 3.28Å; S546-A548 PolarHBondContact O-N 2.95Å; A548-L551 WeakPolarHBondContact O-CB 3.34Å; A548-L551 PolarHBondContact O-N 3.12Å; A548-L552 PolarHBondContact O-N 2.86Å; A548-Y575 WeakPolarHBondContact O-CE2 3.26Å; A548-Y575 PolarHBondContact O-OH 3.3Å
549	F	96.3	Very high	95.8	Very high	74 Å²	74	40.3 Å²	40.3	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-72	-31.9	176.7	-86.3	-90.9	0	0	0	112.3	V543 I544 S546 L551 L552 F553	V543-F549 HydrophobicContact CG1-CD2 3.96Å; V543-F549 HydrophobicContact CG1-CE2 3.6Å; V543-F549 HydrophobicContact CG1-CZ 4.41Å; V543-F549 WeakPolarHBondContact O-CD2 3.34Å; I544-F549 WeakPolarHBondContact O-CB 3.31Å; S546-F549 PolarHBondContact O-N 3.43Å; F549-L551 VanDerWaalsContact C-N 3.28Å; F549-L551 PolarHBondContact O-N 3.38Å; F549-L552 HydrophobicContact CD1-CD2 3.97Å; F549-L552 HydrophobicContact CE1-CD2 4.02Å; F549-L552 PolarHBondContact O-N 3.36Å; F549-F553 HydrophobicContact CB-CD2 4.37Å; F549-F553 HydrophobicContact CB-CE2 4.06Å; F549-F553 HydrophobicContact CD1-CE2 4.33Å; F549-F553 HydrophobicContact CD1-CZ 4.44Å; F549-F553 WeakPolarHBondContact O-CD2 3.45Å; F549-F553 WeakPolarHBondContact O-CG 3.39Å; F549-F553 PolarHBondContact O-N 3.34Å
550	T	96.8	Very high	95.9	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-43.5	171.2	-56.6	0	0	0	0	110.5	I517 T521 S546 P547 S554	I517-T550 HydrophobicContact CG2-CG2 3.64Å; T521-T550 WeakPolarHBondContact CB-OG1 3.49Å; T521-T550 HydrophobicContact CG2-CG2 3.8Å; T521-T550 WeakPolarHBondContact CG2-OG1 3.37Å; T521-T550 PolarHBondContact OG1-OG1 3.06Å; S546-T550 WeakPolarHBondContact O-CB 3.21Å; S546-T550 PolarHBondContact O-N 3.35Å; S546-T550 PolarHBondContact O-OG1 3.25Å; P547-T550 WeakPolarHBondContact O-CB 3.44Å; P547-T550 PolarHBondContact O-N 3.22Å; T550-S554 VanDerWaalsContact O-CB 3.29Å; T550-S554 WeakPolarHBondContact O-CB 3.41Å; T550-S554 PolarHBondContact O-N 3.28Å; T550-S554 PolarHBondContact O-OG 3.18Å
551	L	96.6	Very high	95.9	Very high	53 Å²	53	42.1 Å²	42.1	28%	0.277	21%	0.211	S	C	.	.	H	α-helix	trans	-65	-44.6	173.8	-179.8	64.4	0	0	0	111.8	P547 A548 F549 F553 S554 V555 Y575 V578 I579	P547-L551 PolarHBondContact O-N 3.42Å; A548-L551 WeakPolarHBondContact O-CB 3.34Å; A548-L551 PolarHBondContact O-N 3.12Å; F549-L551 VanDerWaalsContact C-N 3.28Å; F549-L551 PolarHBondContact O-N 3.38Å; L551-F553 PolarHBondContact O-N 3.26Å; L551-S554 VanDerWaalsContact O-CB 3.29Å; L551-S554 WeakPolarHBondContact O-CB 3.48Å; L551-S554 PolarHBondContact O-N 2.92Å; L551-S554 VanDerWaalsContact O-N 3.16Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.42Å; L551-Y575 HydrophobicContact CB-CE2 4.06Å; L551-Y575 HydrophobicContact CD2-CD2 4.26Å; L551-Y575 HydrophobicContact CD2-CE2 3.8Å; L551-Y575 HydrophobicContact CG-CD2 4.1Å; L551-Y575 HydrophobicContact CG-CE2 3.86Å; L551-V578 HydrophobicContact CD1-CG1 3.86Å; L551-V578 HydrophobicContact CD2-CG1 4.32Å; L551-V578 HydrophobicContact CG-CG1 4.4Å; L551-I579 HydrophobicContact CD2-CG1 4.09Å
552	L	96.7	Very high	95.8	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-49.8	176.5	-175.5	66.5	0	0	0	111.8	A548 F549 S554 V555 F556 W572 Y575	A548-L552 PolarHBondContact O-N 2.86Å; F549-L552 HydrophobicContact CD1-CD2 3.97Å; F549-L552 HydrophobicContact CE1-CD2 4.02Å; F549-L552 PolarHBondContact O-N 3.36Å; L552-S554 VanDerWaalsContact C-N 3.27Å; L552-S554 PolarHBondContact O-N 3.36Å; L552-V555 WeakPolarHBondContact O-CB 3.27Å; L552-V555 PolarHBondContact O-N 3.48Å; L552-F556 HydrophobicContact CD1-CD2 4.22Å; L552-F556 HydrophobicContact CD1-CE2 3.75Å; L552-F556 HydrophobicContact CG-CD2 4.25Å; L552-F556 HydrophobicContact CG-CE2 4.09Å; L552-F556 WeakPolarHBondContact O-CD2 3.49Å; L552-F556 PolarHBondContact O-N 2.84Å; L552-W572 HydrophobicContact CD1-CE3 4.2Å; L552-W572 HydrophobicContact CD1-CZ3 4.49Å; L552-W572 HydrophobicContact CD2-CZ3 4.49Å; L552-Y575 HydrophobicContact CB-CD2 3.97Å; L552-Y575 HydrophobicContact CB-CE2 3.99Å; L552-Y575 HydrophobicContact CD1-CD1 4.02Å; L552-Y575 HydrophobicContact CD1-CD2 3.84Å; L552-Y575 HydrophobicContact CD1-CE2 4.49Å; L552-Y575 HydrophobicContact CD1-CG 3.56Å
553	F	96.6	Very high	95.6	Very high	107 Å²	107	48.1 Å²	48.1	47%	0.469	24%	0.235	S	C	.	.	H	α-helix	trans	-60.9	-38.3	175.8	-69.8	-55	0	0	0	111.9	I544 F549 L551 V555 F556 F557	I544-F553 HydrophobicContact CG2-CE2 3.83Å; I544-F553 HydrophobicContact CG2-CZ 3.98Å; F549-F553 HydrophobicContact CB-CD2 4.37Å; F549-F553 HydrophobicContact CB-CE2 4.06Å; F549-F553 HydrophobicContact CD1-CE2 4.33Å; F549-F553 HydrophobicContact CD1-CZ 4.44Å; F549-F553 WeakPolarHBondContact O-CD2 3.45Å; F549-F553 WeakPolarHBondContact O-CG 3.39Å; F549-F553 PolarHBondContact O-N 3.34Å; L551-F553 PolarHBondContact O-N 3.26Å; F553-V555 VanDerWaalsContact C-N 3.32Å; F553-V555 PolarHBondContact O-N 2.97Å; F553-F556 PolarHBondContact O-N 2.89Å; F553-F557 WeakPolarHBondContact O-CB 3.47Å; F553-F557 PolarHBondContact O-N 3.37Å
554	S	96.8	Very high	95.4	Very high	24 Å²	24	52.2 Å²	52.2	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-40.8	176	-65.7	0	0	0	0	112	M295 T550 L551 L552 F558	M295-S554 VanDerWaalsContact CE-O 3.31Å; M295-S554 WeakPolarHBondContact CE-O 3.2Å; T550-S554 VanDerWaalsContact O-CB 3.29Å; T550-S554 WeakPolarHBondContact O-CB 3.41Å; T550-S554 PolarHBondContact O-N 3.28Å; T550-S554 PolarHBondContact O-OG 3.18Å; L551-S554 VanDerWaalsContact O-CB 3.29Å; L551-S554 WeakPolarHBondContact O-CB 3.48Å; L551-S554 PolarHBondContact O-N 2.92Å; L551-S554 VanDerWaalsContact O-N 3.16Å; L552-S554 VanDerWaalsContact C-N 3.27Å; L552-S554 PolarHBondContact O-N 3.36Å; S554-F558 WeakPolarHBondContact O-CB 2.99Å; S554-F558 PolarHBondContact O-N 2.8Å
555	V	96.3	Very high	95.2	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-51	177	171	0	0	0	0	111	L551 L552 F553 F557 F558 Q559 L574 V578	L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.42Å; L552-V555 WeakPolarHBondContact O-CB 3.27Å; L552-V555 PolarHBondContact O-N 3.48Å; F553-V555 VanDerWaalsContact C-N 3.32Å; F553-V555 PolarHBondContact O-N 2.97Å; V555-F557 PolarHBondContact O-N 3.37Å; V555-F558 PolarHBondContact O-N 3.29Å; V555-Q559 WeakPolarHBondContact O-CG 3.39Å; V555-Q559 PolarHBondContact O-N 3.07Å; V555-Q559 VanDerWaalsContact O-N 3.11Å; V555-L574 HydrophobicContact CG1-CB 4.11Å; V555-L574 HydrophobicContact CG1-CD2 3.57Å; V555-L574 HydrophobicContact CG1-CG 3.73Å; V555-V578 HydrophobicContact CG2-CB 4.42Å; V555-V578 HydrophobicContact CG2-CG1 4.48Å; V555-V578 HydrophobicContact CG2-CG2 4.12Å
556	F	96.9	Very high	95.1	Very high	56 Å²	56	53.2 Å²	53.2	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-43.3	178.2	-79.6	-78.7	0	0	0	112.2	L552 F553 F558 Q559 E560 V566 F568	L552-F556 HydrophobicContact CD1-CD2 4.22Å; L552-F556 HydrophobicContact CD1-CE2 3.75Å; L552-F556 HydrophobicContact CG-CD2 4.25Å; L552-F556 HydrophobicContact CG-CE2 4.09Å; L552-F556 WeakPolarHBondContact O-CD2 3.49Å; L552-F556 PolarHBondContact O-N 2.84Å; F553-F556 PolarHBondContact O-N 2.89Å; F556-F558 VanDerWaalsContact C-N 3.33Å; F556-F558 PolarHBondContact O-N 3.01Å; F556-Q559 PolarHBondContact O-N 2.95Å; F556-E560 PolarHBondContact O-N 3.01Å; F556-V566 HydrophobicContact CD1-CG2 4.07Å; F556-V566 HydrophobicContact CE1-CG2 4.01Å; F556-F568 AromaticContact CZ-CD2 3.96Å; F556-F568 HydrophobicContact CZ-CD2 3.96Å
557	F	96.7	Very high	95.1	Very high	94 Å²	94	55.8 Å²	55.8	41%	0.412	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-39	179.2	-175	-118	0	0	0	111.9	M291 M295 F553 V555 E560 L561	M291-F557 HydrophobicContact CB-CE1 4.31Å; M291-F557 HydrophobicContact CB-CZ 4.47Å; M291-F557 HydrophobicContact CG-CZ 4.49Å; M295-F557 HydrophobicContact CE-CD1 4.34Å; M295-F557 HydrophobicContact CG-CD1 4.16Å; M295-F557 HydrophobicContact CG-CE1 4.43Å; M295-F557 HydrophobicContact SD-CD1 3.91Å; M295-F557 HydrophobicContact SD-CE1 4.34Å; F553-F557 WeakPolarHBondContact O-CB 3.47Å; F553-F557 PolarHBondContact O-N 3.37Å; V555-F557 PolarHBondContact O-N 3.37Å; F557-E560 PolarHBondContact O-N 3.37Å; F557-L561 HydrophobicContact CD1-CD1 3.87Å; F557-L561 HydrophobicContact CD1-CG 4.48Å; F557-L561 HydrophobicContact CE1-CD1 3.53Å; F557-L561 HydrophobicContact CE1-CG 4.21Å; F557-L561 HydrophobicContact CE2-CD2 4.47Å; F557-L561 HydrophobicContact CE2-CG 4.36Å; F557-L561 HydrophobicContact CZ-CD1 3.91Å; F557-L561 HydrophobicContact CZ-CD2 4.18Å; F557-L561 HydrophobicContact CZ-CG 4.14Å; F557-L561 VanDerWaalsContact O-CG 3.3Å; F557-L561 WeakPolarHBondContact O-CG 3.44Å; F557-L561 PolarHBondContact O-N 3.46Å
558	F	96.3	Very high	95	Very high	28 Å²	28	62.4 Å²	62.4	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-43.9	175.5	-175.1	-107.7	0	0	0	112	L292 M295 K296 W303 S554 V555 F556 E560 L561 E562	L292-F558 HydrophobicContact CD2-CD2 4.25Å; L292-F558 HydrophobicContact CD2-CE2 3.96Å; M295-F558 HydrophobicContact CB-CD2 3.55Å; M295-F558 HydrophobicContact CB-CE2 4.19Å; M295-F558 HydrophobicContact CB-CG 4.47Å; M295-F558 HydrophobicContact CE-CB 4.47Å; M295-F558 HydrophobicContact CG-CD2 4.24Å; K296-F558 HydrophobicContact CG-CE2 3.85Å; K296-F558 HydrophobicContact CG-CZ 4.17Å; W303-F558 HydrophobicContact CH2-CE1 4.05Å; W303-F558 AromaticContact CH2-CZ 3.77Å; W303-F558 HydrophobicContact CH2-CZ 3.77Å; W303-F558 HydrophobicContact CZ2-CZ 4.26Å; S554-F558 WeakPolarHBondContact O-CB 2.99Å; S554-F558 PolarHBondContact O-N 2.8Å; V555-F558 PolarHBondContact O-N 3.29Å; F556-F558 VanDerWaalsContact C-N 3.33Å; F556-F558 PolarHBondContact O-N 3.01Å; F558-E560 VanDerWaalsContact C-N 3.34Å; F558-E560 PolarHBondContact O-N 3.47Å; F558-L561 PolarHBondContact O-N 2.89Å; F558-E562 HydrophobicContact CD1-CG 4.48Å; F558-E562 HydrophobicContact CE1-CG 4.06Å; F558-E562 VanDerWaalsContact CE1-OE1 3.29Å; F558-E562 WeakPolarHBondContact CE1-OE1 3.46Å; F558-E562 WeakPolarHBondContact CE1-OE2 3.26Å; F558-E562 HydrophobicContact CE2-CG 4.44Å; F558-E562 VanDerWaalsContact CZ-CD 3.5Å; F558-E562 HydrophobicContact CZ-CG 4.05Å; F558-E562 WeakPolarHBondContact CZ-OE1 3.34Å; F558-E562 PolarHBondContact O-N 2.94Å
559	Q	95.9	Very high	95	Very high	29 Å²	29	68.5 Å²	68.5	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-37.5	176.4	-70.2	-55.5	-62.7	0	0	112.8	V555 F556 E562 E563 M564 V566 L574	V555-Q559 WeakPolarHBondContact O-CG 3.39Å; V555-Q559 PolarHBondContact O-N 3.07Å; V555-Q559 VanDerWaalsContact O-N 3.11Å; F556-Q559 PolarHBondContact O-N 2.95Å; Q559-E562 PolarHBondContact NE2-OE2 2.85Å; Q559-E562 PolarHBondContact O-N 3.39Å; Q559-E563 PolarHBondContact O-N 2.92Å; Q559-M564 CarbonylContact O-C 3.5Å; Q559-M564 PolarHBondContact O-N 2.88Å; Q559-M564 PolarHBondContact OE1-O 3.22Å; Q559-V566 HydrophobicContact CB-CG1 4.44Å; Q559-V566 HydrophobicContact CB-CG2 4.16Å; Q559-V566 HydrophobicContact CG-CG1 4.11Å; Q559-V566 HydrophobicContact CG-CG2 4.04Å; Q559-L574 HydrophobicContact CG-CD2 3.79Å
560	E	95	Very high	94.9	Very high	122 Å²	122	69.1 Å²	69.1	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-63.3	-43.2	173.6	-168.3	65.5	-157.7	0	0	111.5	F556 F557 F558 E562 E563	F556-E560 PolarHBondContact O-N 3.01Å; F557-E560 PolarHBondContact O-N 3.37Å; F558-E560 VanDerWaalsContact C-N 3.34Å; F558-E560 PolarHBondContact O-N 3.47Å; E560-E562 VanDerWaalsContact C-N 3.3Å; E560-E562 PolarHBondContact O-N 3.34Å; E560-E563 PolarHBondContact O-N 3.11Å
561	L	94.4	Very high	94.8	Very high	13 Å²	13	68.8 Å²	68.8	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-30.1	176.9	-72	173.9	0	0	0	113.3	R271 Q288 M291 L292 M295 F557 F558 E563	R271-L561 PolarHBondContact NH2-O 3.12Å; Q288-L561 HydrophobicContact CB-CD2 4.29Å; Q288-L561 HydrophobicContact CG-CD2 4.14Å; M291-L561 HydrophobicContact CB-CD1 3.71Å; M291-L561 HydrophobicContact CB-CD2 4.21Å; L292-L561 HydrophobicContact CD2-CB 3.5Å; L292-L561 HydrophobicContact CD2-CD1 4.35Å; L292-L561 HydrophobicContact CG-CB 3.86Å; L292-L561 HydrophobicContact CG-CD1 4.37Å; M295-L561 HydrophobicContact CG-CD1 4.06Å; F557-L561 HydrophobicContact CD1-CD1 3.87Å; F557-L561 HydrophobicContact CD1-CG 4.48Å; F557-L561 HydrophobicContact CE1-CD1 3.53Å; F557-L561 HydrophobicContact CE1-CG 4.21Å; F557-L561 HydrophobicContact CE2-CD2 4.47Å; F557-L561 HydrophobicContact CE2-CG 4.36Å; F557-L561 HydrophobicContact CZ-CD1 3.91Å; F557-L561 HydrophobicContact CZ-CD2 4.18Å; F557-L561 HydrophobicContact CZ-CG 4.14Å; F557-L561 VanDerWaalsContact O-CG 3.3Å; F557-L561 WeakPolarHBondContact O-CG 3.44Å; F557-L561 PolarHBondContact O-N 3.46Å; F558-L561 PolarHBondContact O-N 2.89Å; L561-E563 PolarHBondContact O-N 3.33Å
562	E	92.3	Very high	94.7	Very high	77 Å²	77	71.2 Å²	71.2	36%	0.36	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	0	173	-72.2	-167.6	142	0	0	113.1	L292 F558 Q559 E560 M564	L292-E562 HydrophobicContact CD2-CG 3.98Å; F558-E562 HydrophobicContact CD1-CG 4.48Å; F558-E562 HydrophobicContact CE1-CG 4.06Å; F558-E562 VanDerWaalsContact CE1-OE1 3.29Å; F558-E562 WeakPolarHBondContact CE1-OE1 3.46Å; F558-E562 WeakPolarHBondContact CE1-OE2 3.26Å; F558-E562 HydrophobicContact CE2-CG 4.44Å; F558-E562 VanDerWaalsContact CZ-CD 3.5Å; F558-E562 HydrophobicContact CZ-CG 4.05Å; F558-E562 WeakPolarHBondContact CZ-OE1 3.34Å; F558-E562 PolarHBondContact O-N 2.94Å; Q559-E562 PolarHBondContact NE2-OE2 2.85Å; Q559-E562 PolarHBondContact O-N 3.39Å; E560-E562 VanDerWaalsContact C-N 3.3Å; E560-E562 PolarHBondContact O-N 3.34Å; E562-M564 PolarHBondContact O-N 3.26Å
563	E	91.7	Very high	94.6	Very high	121 Å²	121	75.3 Å²	75.3	57%	0.565	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	28.7	-174.5	-68.1	169.8	-163	0	0	113.2	R271 Q559 E560 L561 P565	R271-E563 IonicContact CZ-OE1 2.76Å; R271-E563 VanDerWaalsContact CZ-OE1 3.23Å; R271-E563 VanDerWaalsContact NH1-CD 3.32Å; R271-E563 IonicContact NH1-OE1 3.24Å; R271-E563 PolarHBondContact NH1-OE1 3.33Å; R271-E563 IonicContact NH1-OE2 3.69Å; R271-E563 VanDerWaalsContact NH2-CD 3.32Å; R271-E563 IonicContact NH2-OE1 3.89Å; R271-E563 PolarHBondContact NH2-OE1 3.36Å; Q559-E563 PolarHBondContact O-N 2.92Å; E560-E563 PolarHBondContact O-N 3.11Å; L561-E563 PolarHBondContact O-N 3.33Å; E563-P565 WeakPolarHBondContact O-CD 3.44Å
564	M	90.8	Very high	94.5	Very high	124 Å²	124	73 Å²	73	61%	0.611	36%	0.362	S	S	*	.			trans	-122.8	60.9	179	-68.1	-67.6	-61.9	0	0	109.8	Q559 E562 V566	Q559-M564 CarbonylContact O-C 3.5Å; Q559-M564 PolarHBondContact O-N 2.88Å; Q559-M564 PolarHBondContact OE1-O 3.22Å; E562-M564 PolarHBondContact O-N 3.26Å; M564-V566 PolarHBondContact O-N 3.48Å
565	P	90.3	Very high	94.5	Very high	91 Å²	91	72.8 Å²	72.8	59%	0.591	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-60.5	128.8	-176.6	26.3	-34.7	0	0	0	110.6	E563	E563-P565 WeakPolarHBondContact O-CD 3.44Å
566	V	93.6	Very high	94.4	Very high	44 Å²	44	74 Å²	74	27%	0.267	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-100.8	149.7	-177.8	-68.1	0	0	0	0	111.1	F556 Q559 M564 D570	F556-V566 HydrophobicContact CD1-CG2 4.07Å; F556-V566 HydrophobicContact CE1-CG2 4.01Å; Q559-V566 HydrophobicContact CB-CG1 4.44Å; Q559-V566 HydrophobicContact CB-CG2 4.16Å; Q559-V566 HydrophobicContact CG-CG1 4.11Å; Q559-V566 HydrophobicContact CG-CG2 4.04Å; M564-V566 PolarHBondContact O-N 3.48Å; V566-D570 HydrophobicContact CB-CB 4.17Å
567	S	95.2	Very high	94.2	Very high	57 Å²	57	72.8 Å²	72.8	40%	0.399	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-62.9	161.6	169.7	80.3	0	0	0	0	110.3	Q569 D570 G571	S567-Q569 PolarHBondContact O-N 3.39Å; S567-D570 WeakPolarHBondContact CB-OD2 3.45Å; S567-D570 PolarHBondContact O-N 2.78Å; S567-D570 PolarHBondContact OG-N 3.33Å; S567-D570 PolarHBondContact OG-OD2 3.32Å; S567-G571 PolarHBondContact O-N 3.08Å
568	F	94.4	Very high	94.1	Very high	146 Å²	146	70.9 Å²	70.9	64%	0.64	36%	0.358	S	S	*	.	H	α-helix	trans	-59.1	-37.1	177.3	-180	-97.9	0	0	0	112.2	F556 W572	F556-F568 AromaticContact CZ-CD2 3.96Å; F556-F568 HydrophobicContact CZ-CD2 3.96Å; F568-W572 VanDerWaalsContact O-CB 3.31Å; F568-W572 WeakPolarHBondContact O-CB 3.3Å; F568-W572 PolarHBondContact O-N 2.91Å
569	Q	95.1	Very high	94	Very high	144 Å²	144	70.7 Å²	70.7	67%	0.673	36%	0.358	S	S	*	.	H	α-helix	trans	-67	-46.8	179.1	-176.5	174.9	-2.8	0	0	111.4	S567 W572 L573	S567-Q569 PolarHBondContact O-N 3.39Å; Q569-W572 PolarHBondContact O-N 3.35Å; Q569-L573 WeakPolarHBondContact O-CG 3.44Å; Q569-L573 PolarHBondContact O-N 3.3Å
570	D	94.4	Very high	93.9	Very high	88 Å²	88	69.4 Å²	69.4	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-39.7	178.6	-57.2	-43.2	0	0	0	111.1	V566 S567 W572 L573 L574	V566-D570 HydrophobicContact CB-CB 4.17Å; S567-D570 WeakPolarHBondContact CB-OD2 3.45Å; S567-D570 PolarHBondContact O-N 2.78Å; S567-D570 PolarHBondContact OG-N 3.33Å; S567-D570 PolarHBondContact OG-OD2 3.32Å; D570-W572 VanDerWaalsContact C-N 3.32Å; D570-W572 PolarHBondContact O-N 3Å; D570-L573 PolarHBondContact O-N 3.43Å; D570-L574 WeakPolarHBondContact O-CB 3.38Å; D570-L574 PolarHBondContact O-N 3.41Å
571	G	94.5	Very high	93.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-35	174.5	0	0	0	0	0	112.9	S567 L574 Y575	S567-G571 PolarHBondContact O-N 3.08Å; G571-L574 PolarHBondContact O-N 2.77Å; G571-Y575 WeakPolarHBondContact O-CB 3.23Å; G571-Y575 PolarHBondContact O-N 3.19Å
572	W	94.9	Very high	93.6	Very high	105 Å²	105	66.2 Å²	66.2	40%	0.398	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-44.5	172.6	-178.3	-101.8	0	0	0	111.8	L552 F568 Q569 D570 L574 Y575 L576	L552-W572 HydrophobicContact CD1-CE3 4.2Å; L552-W572 HydrophobicContact CD1-CZ3 4.49Å; L552-W572 HydrophobicContact CD2-CZ3 4.49Å; F568-W572 VanDerWaalsContact O-CB 3.31Å; F568-W572 WeakPolarHBondContact O-CB 3.3Å; F568-W572 PolarHBondContact O-N 2.91Å; Q569-W572 PolarHBondContact O-N 3.35Å; D570-W572 VanDerWaalsContact C-N 3.32Å; D570-W572 PolarHBondContact O-N 3Å; W572-L574 VanDerWaalsContact C-N 3.34Å; W572-L574 PolarHBondContact O-N 2.98Å; W572-Y575 HydrophobicContact CE3-CD1 4.01Å; W572-Y575 HydrophobicContact CH2-CD1 4.3Å; W572-Y575 HydrophobicContact CH2-CE1 4.11Å; W572-Y575 AromaticContact CZ3-CD1 3.89Å; W572-Y575 HydrophobicContact CZ3-CD1 3.89Å; W572-Y575 AromaticContact CZ3-CE1 3.96Å; W572-Y575 HydrophobicContact CZ3-CE1 3.96Å; W572-Y575 WeakPolarHBondContact O-CB 2.96Å; W572-Y575 PolarHBondContact O-N 2.97Å; W572-L576 HydrophobicContact CZ2-CD2 4.23Å; W572-L576 WeakPolarHBondContact O-CG 3.39Å; W572-L576 PolarHBondContact O-N 3Å
573	L	94.4	Very high	93.7	Very high	99 Å²	99	62.6 Å²	62.6	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-43	175	-68.9	173.6	0	0	0	111.6	Q569 D570 Y575 L576 S577	Q569-L573 WeakPolarHBondContact O-CG 3.44Å; Q569-L573 PolarHBondContact O-N 3.3Å; D570-L573 PolarHBondContact O-N 3.43Å; L573-Y575 VanDerWaalsContact C-N 3.3Å; L573-Y575 PolarHBondContact O-N 3.3Å; L573-L576 PolarHBondContact O-N 3.46Å; L573-S577 PolarHBondContact O-N 3.23Å
574	L	94.6	Very high	93.7	Very high	60 Å²	60	57 Å²	57	31%	0.314	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-40.3	175.2	-174.8	60.9	0	0	0	111.4	V555 Q559 D570 G571 W572 S577 V578	V555-L574 HydrophobicContact CG1-CB 4.11Å; V555-L574 HydrophobicContact CG1-CD2 3.57Å; V555-L574 HydrophobicContact CG1-CG 3.73Å; Q559-L574 HydrophobicContact CG-CD2 3.79Å; D570-L574 WeakPolarHBondContact O-CB 3.38Å; D570-L574 PolarHBondContact O-N 3.41Å; G571-L574 PolarHBondContact O-N 2.77Å; W572-L574 VanDerWaalsContact C-N 3.34Å; W572-L574 PolarHBondContact O-N 2.98Å; L574-S577 PolarHBondContact O-N 2.85Å; L574-V578 WeakPolarHBondContact O-CB 3.47Å; L574-V578 VanDerWaalsContact O-CG2 3.24Å; L574-V578 WeakPolarHBondContact O-CG2 3.3Å; L574-V578 PolarHBondContact O-N 3.36Å
575	Y	95.9	Very high	93.8	Very high	18 Å²	18	51.8 Å²	51.8	7%	0.071	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-44.2	174.3	168.3	-105.5	0	0	0	112.6	A548 L551 L552 G571 W572 L573 V578 I579	A548-Y575 WeakPolarHBondContact O-CE2 3.26Å; A548-Y575 PolarHBondContact O-OH 3.3Å; L551-Y575 HydrophobicContact CB-CE2 4.06Å; L551-Y575 HydrophobicContact CD2-CD2 4.26Å; L551-Y575 HydrophobicContact CD2-CE2 3.8Å; L551-Y575 HydrophobicContact CG-CD2 4.1Å; L551-Y575 HydrophobicContact CG-CE2 3.86Å; L552-Y575 HydrophobicContact CB-CD2 3.97Å; L552-Y575 HydrophobicContact CB-CE2 3.99Å; L552-Y575 HydrophobicContact CD1-CD1 4.02Å; L552-Y575 HydrophobicContact CD1-CD2 3.84Å; L552-Y575 HydrophobicContact CD1-CE2 4.49Å; L552-Y575 HydrophobicContact CD1-CG 3.56Å; G571-Y575 WeakPolarHBondContact O-CB 3.23Å; G571-Y575 PolarHBondContact O-N 3.19Å; W572-Y575 HydrophobicContact CE3-CD1 4.01Å; W572-Y575 HydrophobicContact CH2-CD1 4.3Å; W572-Y575 HydrophobicContact CH2-CE1 4.11Å; W572-Y575 AromaticContact CZ3-CD1 3.89Å; W572-Y575 HydrophobicContact CZ3-CD1 3.89Å; W572-Y575 AromaticContact CZ3-CE1 3.96Å; W572-Y575 HydrophobicContact CZ3-CE1 3.96Å; W572-Y575 WeakPolarHBondContact O-CB 2.96Å; W572-Y575 PolarHBondContact O-N 2.97Å; L573-Y575 VanDerWaalsContact C-N 3.3Å; L573-Y575 PolarHBondContact O-N 3.3Å; Y575-V578 PolarHBondContact O-N 2.83Å; Y575-I579 HydrophobicContact CD1-CD1 4.25Å; Y575-I579 HydrophobicContact CE1-CD1 3.67Å; Y575-I579 HydrophobicContact CE2-CD1 4.13Å; Y575-I579 HydrophobicContact CE2-CG1 4.45Å; Y575-I579 WeakPolarHBondContact O-CG1 3.36Å; Y575-I579 PolarHBondContact O-N 3.41Å; Y575-I579 VanDerWaalsContact O-N 3.11Å
576	L	94.8	Very high	93.9	Very high	39 Å²	39	49.1 Å²	49.1	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-43	175.3	-62.7	-179.8	0	0	0	111.7	V459 I463 W572 L573 V578 I579 S580	V459-L576 HydrophobicContact CG1-CB 4.15Å; V459-L576 HydrophobicContact CG1-CD2 3.68Å; V459-L576 HydrophobicContact CG1-CG 4.44Å; I463-L576 HydrophobicContact CD1-CD2 3.52Å; W572-L576 HydrophobicContact CZ2-CD2 4.23Å; W572-L576 WeakPolarHBondContact O-CG 3.39Å; W572-L576 PolarHBondContact O-N 3Å; L573-L576 PolarHBondContact O-N 3.46Å; L576-V578 VanDerWaalsContact C-N 3.34Å; L576-V578 PolarHBondContact O-N 3.5Å; L576-I579 WeakPolarHBondContact O-CB 3.44Å; L576-I579 PolarHBondContact O-N 2.92Å; L576-S580 PolarHBondContact O-N 3.19Å; L576-S580 VanDerWaalsContact O-N 3.1Å
577	S	93	Very high	93.7	Very high	30 Å²	30	50 Å²	50	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-36.7	176.6	-169.2	0	0	0	0	112.1	E117 L573 L574 I579 S580 Q581	E117-S577 WeakPolarHBondContact OE2-CB 3.33Å; E117-S577 PolarHBondContact OE2-OG 3.37Å; L573-S577 PolarHBondContact O-N 3.23Å; L574-S577 PolarHBondContact O-N 2.85Å; S577-I579 VanDerWaalsContact C-N 3.3Å; S577-I579 PolarHBondContact O-N 3.07Å; S577-S580 WeakPolarHBondContact CA-OG 3.39Å; S577-S580 PolarHBondContact O-N 3.11Å; S577-S580 PolarHBondContact O-OG 3.46Å; S577-Q581 VanDerWaalsContact O-CB 3.3Å; S577-Q581 WeakPolarHBondContact O-CB 3.22Å; S577-Q581 VanDerWaalsContact O-CG 3.25Å; S577-Q581 WeakPolarHBondContact O-CG 3.22Å; S577-Q581 PolarHBondContact O-N 3.28Å
578	V	94.2	Very high	93.4	Very high	53 Å²	53	47.7 Å²	47.7	32%	0.321	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-34	174.7	169.5	0	0	0	0	111.6	L551 V555 L574 Y575 L576 G582	L551-V578 HydrophobicContact CD1-CG1 3.86Å; L551-V578 HydrophobicContact CD2-CG1 4.32Å; L551-V578 HydrophobicContact CG-CG1 4.4Å; V555-V578 HydrophobicContact CG2-CB 4.42Å; V555-V578 HydrophobicContact CG2-CG1 4.48Å; V555-V578 HydrophobicContact CG2-CG2 4.12Å; L574-V578 WeakPolarHBondContact O-CB 3.47Å; L574-V578 VanDerWaalsContact O-CG2 3.24Å; L574-V578 WeakPolarHBondContact O-CG2 3.3Å; L574-V578 PolarHBondContact O-N 3.36Å; Y575-V578 PolarHBondContact O-N 2.83Å; L576-V578 VanDerWaalsContact C-N 3.34Å; L576-V578 PolarHBondContact O-N 3.5Å; V578-G582 PolarHBondContact O-N 3.49Å
579	I	94.9	Very high	93.3	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.128	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-51.2	173	-65.6	168.5	0	0	0	110.4	V459 L551 Y575 L576 S577 Q581 G582 I583	V459-I579 HydrophobicContact CG1-CB 4.47Å; V459-I579 HydrophobicContact CG1-CD1 4.48Å; V459-I579 HydrophobicContact CG1-CG2 4.39Å; V459-I579 HydrophobicContact CG2-CG2 4.32Å; L551-I579 HydrophobicContact CD2-CG1 4.09Å; Y575-I579 HydrophobicContact CD1-CD1 4.25Å; Y575-I579 HydrophobicContact CE1-CD1 3.67Å; Y575-I579 HydrophobicContact CE2-CD1 4.13Å; Y575-I579 HydrophobicContact CE2-CG1 4.45Å; Y575-I579 WeakPolarHBondContact O-CG1 3.36Å; Y575-I579 PolarHBondContact O-N 3.41Å; Y575-I579 VanDerWaalsContact O-N 3.11Å; L576-I579 WeakPolarHBondContact O-CB 3.44Å; L576-I579 PolarHBondContact O-N 2.92Å; S577-I579 VanDerWaalsContact C-N 3.3Å; S577-I579 PolarHBondContact O-N 3.07Å; I579-Q581 PolarHBondContact O-N 3.39Å; I579-G582 PolarHBondContact O-N 3.2Å; I579-I583 HydrophobicContact CG2-CD1 4.07Å; I579-I583 WeakPolarHBondContact O-CG1 3.17Å; I579-I583 PolarHBondContact O-N 2.66Å; I579-I583 VanDerWaalsContact O-N 3.09Å
580	S	92.9	Very high	93	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-45.7	-179.5	61.8	0	0	0	0	111.2	E117 L576 S577 I583 L584	E117-S580 PolarHBondContact OE1-OG 3.27Å; L576-S580 PolarHBondContact O-N 3.19Å; L576-S580 VanDerWaalsContact O-N 3.1Å; S577-S580 WeakPolarHBondContact CA-OG 3.39Å; S577-S580 PolarHBondContact O-N 3.11Å; S577-S580 PolarHBondContact O-OG 3.46Å; S580-I583 PolarHBondContact O-N 3.43Å; S580-L584 WeakPolarHBondContact O-CB 3.43Å; S580-L584 PolarHBondContact O-N 2.84Å
581	Q	91.6	Very high	92.9	Very high	41 Å²	41	32 Å²	32	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-41.8	176.7	-70.9	-66.3	-30.4	0	0	112.5	D116 S577 I579 I583 L584 D585	D116-Q581 PolarHBondContact OD1-NE2 3.14Å; S577-Q581 VanDerWaalsContact O-CB 3.3Å; S577-Q581 WeakPolarHBondContact O-CB 3.22Å; S577-Q581 VanDerWaalsContact O-CG 3.25Å; S577-Q581 WeakPolarHBondContact O-CG 3.22Å; S577-Q581 PolarHBondContact O-N 3.28Å; I579-Q581 PolarHBondContact O-N 3.39Å; Q581-I583 VanDerWaalsContact C-N 3.31Å; Q581-I583 PolarHBondContact O-N 3.33Å; Q581-L584 PolarHBondContact O-N 2.82Å; Q581-L584 VanDerWaalsContact O-N 3.15Å; Q581-D585 WeakPolarHBondContact O-CB 3.46Å; Q581-D585 PolarHBondContact O-N 3.41Å
582	G	93.3	Very high	92.9	Very high	27 Å²	27	36.2 Å²	36.2	28%	0.278	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-36.6	177.5	0	0	0	0	0	113.1	V578 I579 H586	V578-G582 PolarHBondContact O-N 3.49Å; I579-G582 PolarHBondContact O-N 3.2Å; G582-H586 PolarHBondContact O-N 3.36Å
583	I	94.3	Very high	92.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-46.5	171.8	-63.2	171.6	0	0	0	109.7	F114 T440 V458 I579 S580 Q581 D585 H586 Y587 Y594	F114-I583 HydrophobicContact CE1-CG2 3.8Å; F114-I583 HydrophobicContact CZ-CB 4.21Å; F114-I583 HydrophobicContact CZ-CG2 4Å; T440-I583 HydrophobicContact CG2-CG2 4.03Å; V458-I583 HydrophobicContact CG1-CD1 3.8Å; I579-I583 HydrophobicContact CG2-CD1 4.07Å; I579-I583 WeakPolarHBondContact O-CG1 3.17Å; I579-I583 PolarHBondContact O-N 2.66Å; I579-I583 VanDerWaalsContact O-N 3.09Å; S580-I583 PolarHBondContact O-N 3.43Å; Q581-I583 VanDerWaalsContact C-N 3.31Å; Q581-I583 PolarHBondContact O-N 3.33Å; I583-D585 PolarHBondContact O-N 3.49Å; I583-H586 WeakPolarHBondContact O-CB 3.26Å; I583-H586 PolarHBondContact O-N 3.14Å; I583-Y587 HydrophobicContact CG2-CD2 4.23Å; I583-Y587 HydrophobicContact CG2-CE2 3.99Å; I583-Y587 VanDerWaalsContact O-CD2 3.29Å; I583-Y587 WeakPolarHBondContact O-CD2 3.42Å; I583-Y587 PolarHBondContact O-N 3.02Å; I583-Y594 HydrophobicContact CD1-CE2 3.98Å; I583-Y594 HydrophobicContact CG1-CD1 4.27Å; I583-Y594 HydrophobicContact CG1-CD2 3.7Å; I583-Y594 HydrophobicContact CG1-CE1 4.12Å; I583-Y594 HydrophobicContact CG1-CE2 3.54Å; I583-Y594 HydrophobicContact CG1-CG 4.05Å; I583-Y594 HydrophobicContact CG2-CD1 4.5Å; I583-Y594 HydrophobicContact CG2-CE1 4.16Å
584	L	91.4	Very high	92.9	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-42.6	-178.3	-170.9	63.4	0	0	0	112.3	P113 F114 D116 S580 Q581 H586 Y587 L588	P113-L584 HydrophobicContact CG-CD1 3.98Å; F114-L584 HydrophobicContact CE2-CB 4.16Å; F114-L584 HydrophobicContact CE2-CD1 4.19Å; F114-L584 HydrophobicContact CZ-CB 3.92Å; F114-L584 HydrophobicContact CZ-CD1 4.18Å; D116-L584 HydrophobicContact CB-CD2 4.14Å; S580-L584 WeakPolarHBondContact O-CB 3.43Å; S580-L584 PolarHBondContact O-N 2.84Å; Q581-L584 PolarHBondContact O-N 2.82Å; Q581-L584 VanDerWaalsContact O-N 3.15Å; L584-H586 VanDerWaalsContact C-N 3.25Å; L584-H586 PolarHBondContact O-N 3.04Å; L584-Y587 CarbonylContact O-C 3.4Å; L584-Y587 PolarHBondContact O-N 2.71Å; L584-L588 HydrophobicContact CD1-CD1 4.27Å; L584-L588 HydrophobicContact CD1-CG 4.3Å; L584-L588 HydrophobicContact CD2-CD1 4.11Å; L584-L588 HydrophobicContact CG-CD1 3.74Å; L584-L588 HydrophobicContact CG-CG 4.15Å; L584-L588 WeakPolarHBondContact O-CB 3.31Å; L584-L588 PolarHBondContact O-N 3.04Å
585	D	92	Very high	93	Very high	16 Å²	16	26.8 Å²	26.8	9%	0.086	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-33.2	177.2	-81.8	-18	0	0	0	112.6	R301 Q581 I583 Y589 G590 S591	R301-D585 WeakPolarHBondContact CB-OD2 3.46Å; Q581-D585 WeakPolarHBondContact O-CB 3.46Å; Q581-D585 PolarHBondContact O-N 3.41Å; I583-D585 PolarHBondContact O-N 3.49Å; D585-Y589 HydrophobicContact CB-CD2 4.39Å; D585-Y589 PolarHBondContact O-N 2.93Å; D585-Y589 WeakPolarHBondContact OD1-CE2 3.46Å; D585-G590 PolarHBondContact O-N 3.25Å; D585-S591 PolarHBondContact O-N 2.82Å
586	H	93.1	Very high	93	Very high	34 Å²	34	27.8 Å²	27.8	16%	0.157	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-48.4	172.5	175.1	64.2	0	0	0	111	Y436 G582 I583 L584 G590 S591 Y594	Y436-H586 AromaticContact CE2-NE2 3.72Å; Y436-H586 AromaticContact CZ-NE2 3.83Å; Y436-H586 PolarHBondContact OH-NE2 2.85Å; G582-H586 PolarHBondContact O-N 3.36Å; I583-H586 WeakPolarHBondContact O-CB 3.26Å; I583-H586 PolarHBondContact O-N 3.14Å; L584-H586 VanDerWaalsContact C-N 3.25Å; L584-H586 PolarHBondContact O-N 3.04Å; H586-G590 VanDerWaalsContact O-CA 3.24Å; H586-G590 WeakPolarHBondContact O-CA 3.42Å; H586-G590 PolarHBondContact O-N 3.05Å; H586-S591 PolarHBondContact ND1-O 3.03Å; H586-Y594 HydrophobicContact CB-CD1 4.27Å
587	Y	89.3	Confident	93.1	Very high	64 Å²	64	27.9 Å²	27.9	25%	0.251	16%	0.159	S	C	.	.	H	α-helix	trans	-72.6	-32.1	178.8	-73.7	-81.9	0	0	0	113.3	R110 P113 T440 I583 L584	R110-Y587 PolarHBondContact NH2-O 2.89Å; P113-Y587 HydrophobicContact CB-CD2 4.47Å; P113-Y587 HydrophobicContact CB-CG 4.37Å; P113-Y587 HydrophobicContact CG-CD1 4.47Å; P113-Y587 HydrophobicContact CG-CD2 3.95Å; P113-Y587 HydrophobicContact CG-CG 3.85Å; T440-Y587 HydrophobicContact CG2-CE2 3.65Å; T440-Y587 PolarHBondContact OG1-OH 3.25Å; I583-Y587 HydrophobicContact CG2-CD2 4.23Å; I583-Y587 HydrophobicContact CG2-CE2 3.99Å; I583-Y587 VanDerWaalsContact O-CD2 3.29Å; I583-Y587 WeakPolarHBondContact O-CD2 3.42Å; I583-Y587 PolarHBondContact O-N 3.02Å; L584-Y587 CarbonylContact O-C 3.4Å; L584-Y587 PolarHBondContact O-N 2.71Å
588	L	89.3	Confident	93.3	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-81.2	-44.1	-176.9	-79.8	-178.3	0	0	0	113.1	R110 L112 I190 T205 L584	R110-L588 HydrophobicContact CG-CD2 3.99Å; L112-L588 HydrophobicContact CD2-CD1 4.36Å; L112-L588 HydrophobicContact CD2-CD2 3.43Å; L112-L588 VanDerWaalsContact CD2-CD2 3.43Å; L112-L588 HydrophobicContact CD2-CG 4.22Å; I190-L588 HydrophobicContact CD1-CD1 4.44Å; T205-L588 WeakPolarHBondContact CG2-O 3.28Å; L584-L588 HydrophobicContact CD1-CD1 4.27Å; L584-L588 HydrophobicContact CD1-CG 4.3Å; L584-L588 HydrophobicContact CD2-CD1 4.11Å; L584-L588 HydrophobicContact CG-CD1 3.74Å; L584-L588 HydrophobicContact CG-CG 4.15Å; L584-L588 WeakPolarHBondContact O-CB 3.31Å; L584-L588 PolarHBondContact O-N 3.04Å
589	Y	90.8	Very high	93.5	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-123.1	-9.1	-168.1	-50.8	-60.1	0	0	0	113.5	L189 I190 Q193 L242 L308 R311 D585	L189-Y589 HydrophobicContact CB-CE1 3.69Å; L189-Y589 HydrophobicContact CB-CE2 4.42Å; L189-Y589 VanDerWaalsContact CB-OH 3.29Å; L189-Y589 WeakPolarHBondContact CB-OH 3.4Å; L189-Y589 HydrophobicContact CD1-CE2 4.16Å; I190-Y589 HydrophobicContact CG1-CE1 4.43Å; I190-Y589 WeakPolarHBondContact CG1-OH 3.4Å; Q193-Y589 HydrophobicContact CB-CD1 4.4Å; Q193-Y589 HydrophobicContact CB-CE1 4.48Å; L242-Y589 WeakPolarHBondContact CD2-O 3.49Å; L308-Y589 HydrophobicContact CD1-CD1 4.41Å; L308-Y589 HydrophobicContact CD2-CD1 4.04Å; L308-Y589 HydrophobicContact CD2-CG 4.32Å; R311-Y589 PolarHBondContact NH1-O 3.03Å; D585-Y589 HydrophobicContact CB-CD2 4.39Å; D585-Y589 PolarHBondContact O-N 2.93Å; D585-Y589 WeakPolarHBondContact OD1-CE2 3.46Å
590	G	89.7	Confident	93.6	Very high	32 Å²	32	28.9 Å²	28.9	33%	0.33	16%	0.158	S	C	.	.			trans	78.1	32.3	-173.6	0	0	0	0	0	112.9	D585 H586	D585-G590 PolarHBondContact O-N 3.25Å; H586-G590 VanDerWaalsContact O-CA 3.24Å; H586-G590 WeakPolarHBondContact O-CA 3.42Å; H586-G590 PolarHBondContact O-N 3.05Å
591	S	92.8	Very high	93.8	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	16%	0.158	C	C	.	.			trans	-58.8	135.9	171.3	179.6	0	0	0	0	110.8	D585 H586	D585-S591 PolarHBondContact O-N 2.82Å; H586-S591 PolarHBondContact ND1-O 3.03Å
592	L	93.3	Very high	94.1	Very high	88 Å²	88	27 Å²	27	46%	0.461	15%	0.149	S	C	.	.	S	Bend	trans	-92.3	-8.3	-176.6	-63.2	176.8	0	0	0	112.9	N243 P595 L596	N243-L592 PolarHBondContact OD1-N 3.43Å; L592-P595 WeakPolarHBondContact O-CD 3.32Å; L592-P595 VanDerWaalsContact O-CG 3.31Å; L592-P595 WeakPolarHBondContact O-CG 3.42Å; L592-L596 WeakPolarHBondContact O-CB 3.42Å; L592-L596 PolarHBondContact O-N 3.38Å
593	V	94.4	Very high	94.3	Very high	25 Å²	25	25.7 Å²	25.7	15%	0.152	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-50.3	-173.1	179.6	0	0	0	0	111.6	L514 L596 I597	L514-V593 HydrophobicContact CD2-CG1 4.38Å; L514-V593 HydrophobicContact CD2-CG2 4.17Å; V593-L596 PolarHBondContact O-N 2.97Å; V593-I597 HydrophobicContact CG1-CD1 3.74Å; V593-I597 HydrophobicContact CG1-CG1 4.48Å; V593-I597 WeakPolarHBondContact O-CG1 3.48Å; V593-I597 PolarHBondContact O-N 2.64Å
594	Y	95.7	Very high	94.4	Very high	24 Å²	24	25.7 Å²	25.7	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-53.7	177.5	174.5	-119	0	0	0	113.6	L435 Y436 I583 H586 L596 I597 A598	L435-Y594 PolarHBondContact O-OH 3.02Å; Y436-Y594 WeakPolarHBondContact CA-OH 3.43Å; Y436-Y594 AromaticContact CD2-CD1 3.99Å; Y436-Y594 HydrophobicContact CD2-CD1 3.99Å; Y436-Y594 AromaticContact CD2-CE1 3.55Å; Y436-Y594 HydrophobicContact CD2-CE1 3.55Å; Y436-Y594 HydrophobicContact CE2-CD1 4.15Å; Y436-Y594 AromaticContact CE2-CE1 3.99Å; Y436-Y594 HydrophobicContact CE2-CE1 3.99Å; Y436-Y594 PolarHBondContact O-OH 2.95Å; I583-Y594 HydrophobicContact CD1-CE2 3.98Å; I583-Y594 HydrophobicContact CG1-CD1 4.27Å; I583-Y594 HydrophobicContact CG1-CD2 3.7Å; I583-Y594 HydrophobicContact CG1-CE1 4.12Å; I583-Y594 HydrophobicContact CG1-CE2 3.54Å; I583-Y594 HydrophobicContact CG1-CG 4.05Å; I583-Y594 HydrophobicContact CG2-CD1 4.5Å; I583-Y594 HydrophobicContact CG2-CE1 4.16Å; H586-Y594 HydrophobicContact CB-CD1 4.27Å; Y594-L596 VanDerWaalsContact C-N 3.31Å; Y594-L596 PolarHBondContact O-N 3.15Å; Y594-I597 PolarHBondContact O-N 3Å; Y594-A598 HydrophobicContact CD2-CB 4.48Å; Y594-A598 HydrophobicContact CE2-CB 4.17Å; Y594-A598 WeakPolarHBondContact O-CB 3.5Å; Y594-A598 PolarHBondContact O-N 3.38Å
595	P	96.3	Very high	94.7	Very high	18 Å²	18	25.7 Å²	25.7	12%	0.117	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-35.2	178.7	24.2	-34.2	0	0	0	112.3	Y436 L592 L599	Y436-P595 HydrophobicContact CD2-CB 4.31Å; Y436-P595 HydrophobicContact CE2-CB 3.94Å; L592-P595 WeakPolarHBondContact O-CD 3.32Å; L592-P595 VanDerWaalsContact O-CG 3.31Å; L592-P595 WeakPolarHBondContact O-CG 3.42Å; P595-L599 HydrophobicContact CB-CD1 4.23Å; P595-L599 WeakPolarHBondContact O-CB 3.43Å; P595-L599 WeakPolarHBondContact O-CG 3.24Å; P595-L599 PolarHBondContact O-N 3.39Å
596	L	96.7	Very high	94.9	Very high	38 Å²	38	24.9 Å²	24.9	20%	0.199	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-47.7	174.4	179.4	71.5	0	0	0	111.1	L503 T507 L514 L592 V593 Y594 M600 V601	L503-L596 HydrophobicContact CD1-CD1 3.69Å; T507-L596 HydrophobicContact CG2-CD2 3.71Å; L514-L596 HydrophobicContact CD2-CD2 3.82Å; L592-L596 WeakPolarHBondContact O-CB 3.42Å; L592-L596 PolarHBondContact O-N 3.38Å; V593-L596 PolarHBondContact O-N 2.97Å; Y594-L596 VanDerWaalsContact C-N 3.31Å; Y594-L596 PolarHBondContact O-N 3.15Å; L596-M600 HydrophobicContact CD1-CB 4.36Å; L596-M600 WeakPolarHBondContact O-CA 3.45Å; L596-M600 VanDerWaalsContact O-CB 3.31Å; L596-M600 WeakPolarHBondContact O-CB 3.46Å; L596-M600 PolarHBondContact O-N 3.34Å; L596-M600 VanDerWaalsContact O-N 3.08Å; L596-V601 HydrophobicContact CG-CG2 4.18Å; L596-V601 PolarHBondContact O-N 2.89Å
597	I	96.5	Very high	94.9	Very high	42 Å²	42	23.3 Å²	23.3	22%	0.215	12%	0.124	C	C	.	.	I	π-helix	trans	-66	-49.9	179.7	-67.8	171.2	0	0	0	110.5	P547 V593 Y594 V601 Y602	P547-I597 HydrophobicContact CB-CG2 4.27Å; V593-I597 HydrophobicContact CG1-CD1 3.74Å; V593-I597 HydrophobicContact CG1-CG1 4.48Å; V593-I597 WeakPolarHBondContact O-CG1 3.48Å; V593-I597 PolarHBondContact O-N 2.64Å; Y594-I597 PolarHBondContact O-N 3Å; I597-V601 PolarHBondContact O-N 2.98Å; I597-Y602 VanDerWaalsContact O-CB 3.24Å; I597-Y602 WeakPolarHBondContact O-CB 3.34Å; I597-Y602 PolarHBondContact O-N 3.39Å
598	A	97.3	Very high	95.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	11%	0.113	C	C	.	.	I	π-helix	trans	-70.6	-44.2	-173.8	0	0	0	0	0	113.1	G432 L435 Y594 P603	G432-A598 CarbonylContact C-O 3.57Å; G432-A598 WeakPolarHBondContact CA-O 3.28Å; L435-A598 HydrophobicContact CB-CB 4.4Å; L435-A598 HydrophobicContact CD2-CB 4.14Å; L435-A598 HydrophobicContact CG-CB 4.07Å; Y594-A598 HydrophobicContact CD2-CB 4.48Å; Y594-A598 HydrophobicContact CE2-CB 4.17Å; Y594-A598 WeakPolarHBondContact O-CB 3.5Å; Y594-A598 PolarHBondContact O-N 3.38Å; A598-P603 WeakPolarHBondContact O-CD 3.4Å
599	L	97.7	Very high	95.5	Very high	50 Å²	50	20.9 Å²	20.9	26%	0.262	11%	0.114	S	C	.	.	I	π-helix	trans	-90.8	-22.1	-173.6	-58.7	175.5	0	0	0	113.6	A433 Y436 P595 P603	A433-L599 HydrophobicContact CB-CD2 4.42Å; Y436-L599 HydrophobicContact CD1-CD1 4.37Å; Y436-L599 HydrophobicContact CD1-CD2 4.18Å; Y436-L599 HydrophobicContact CD2-CD1 4.46Å; Y436-L599 HydrophobicContact CD2-CG 4.46Å; Y436-L599 HydrophobicContact CG-CD1 4.29Å; Y436-L599 HydrophobicContact CG-CD2 3.94Å; Y436-L599 HydrophobicContact CG-CG 4.15Å; P595-L599 HydrophobicContact CB-CD1 4.23Å; P595-L599 WeakPolarHBondContact O-CB 3.43Å; P595-L599 WeakPolarHBondContact O-CG 3.24Å; P595-L599 PolarHBondContact O-N 3.39Å; L599-P603 WeakPolarHBondContact O-CG 3.39Å
600	M	97.4	Very high	95.5	Very high	78 Å²	78	20.2 Å²	20.2	38%	0.384	11%	0.112	S	C	.	.	I	π-helix	trans	-121.9	-61.6	-173.7	-54.3	-68.7	158.3	0	0	113.4	Y499 L503 L596 C604	Y499-M600 HydrophobicContact CE2-SD 4.48Å; Y499-M600 WeakPolarHBondContact OH-CA 3.31Å; Y499-M600 PolarHBondContact OH-O 3.29Å; Y499-M600 PolarHBondContact OH-SD 2.7Å; L503-M600 HydrophobicContact CD1-CB 3.63Å; L503-M600 HydrophobicContact CD1-CG 4.34Å; L503-M600 HydrophobicContact CD2-CB 4.07Å; L596-M600 HydrophobicContact CD1-CB 4.36Å; L596-M600 WeakPolarHBondContact O-CA 3.45Å; L596-M600 VanDerWaalsContact O-CB 3.31Å; L596-M600 WeakPolarHBondContact O-CB 3.46Å; L596-M600 PolarHBondContact O-N 3.34Å; L596-M600 VanDerWaalsContact O-N 3.08Å; M600-C604 VanDerWaalsContact O-CB 3.3Å; M600-C604 WeakPolarHBondContact O-CB 3.27Å; M600-C604 PolarHBondContact O-N 3.2Å
601	V	97.6	Very high	95.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.096	C	C	.	.	I	π-helix	trans	-65.1	-48.4	-172	-175.3	0	0	0	0	111.6	L503 L518 L522 P547 L596 I597 C604 W605	L503-V601 HydrophobicContact CD2-CB 4.44Å; L503-V601 HydrophobicContact CD2-CG2 4.01Å; L518-V601 HydrophobicContact CD1-CG2 3.99Å; L518-V601 HydrophobicContact CD2-CG1 4.23Å; L522-V601 HydrophobicContact CD1-CG1 3.53Å; P547-V601 HydrophobicContact CB-CG1 4.26Å; P547-V601 HydrophobicContact CG-CG1 3.62Å; L596-V601 HydrophobicContact CG-CG2 4.18Å; L596-V601 PolarHBondContact O-N 2.89Å; I597-V601 PolarHBondContact O-N 2.98Å; V601-C604 WeakPolarHBondContact O-CB 3.34Å; V601-C604 PolarHBondContact O-N 2.97Å; V601-W605 PolarHBondContact O-N 2.91Å
602	Y	97.5	Very high	95.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.4	-46.6	-178.2	174.5	-120.8	0	0	0	112.6	T431 L435 Y466 G469 I597 C604 W605 L606	T431-Y602 HydrophobicContact CG2-CE1 4.03Å; L435-Y602 HydrophobicContact CD2-CD1 3.56Å; L435-Y602 HydrophobicContact CD2-CE1 4.01Å; L435-Y602 HydrophobicContact CD2-CG 4.16Å; Y466-Y602 WeakPolarHBondContact CA-OH 3.24Å; Y466-Y602 HydrophobicContact CD1-CE2 4.35Å; Y466-Y602 HydrophobicContact CD2-CD1 4.35Å; Y466-Y602 AromaticContact CD2-CD2 3.7Å; Y466-Y602 HydrophobicContact CD2-CD2 3.7Å; Y466-Y602 HydrophobicContact CD2-CE1 4.21Å; Y466-Y602 AromaticContact CD2-CE2 3.56Å; Y466-Y602 HydrophobicContact CD2-CE2 3.56Å; Y466-Y602 HydrophobicContact CD2-CG 4.1Å; Y466-Y602 AromaticContact CD2-CZ 3.83Å; Y466-Y602 HydrophobicContact CE1-CE2 4.21Å; Y466-Y602 AromaticContact CE2-CD2 3.24Å; Y466-Y602 HydrophobicContact CE2-CD2 3.24Å; Y466-Y602 AromaticContact CE2-CE2 3.4Å; Y466-Y602 HydrophobicContact CE2-CE2 3.4Å; Y466-Y602 VanDerWaalsContact CE2-CE2 3.4Å; Y466-Y602 AromaticContact CE2-CG 3.9Å; Y466-Y602 HydrophobicContact CE2-CG 3.9Å; Y466-Y602 HydrophobicContact CG-CE2 4.05Å; Y466-Y602 AromaticContact CZ-CD2 3.83Å; Y466-Y602 AromaticContact CZ-CE2 3.75Å; Y466-Y602 PolarHBondContact O-OH 3.09Å; G469-Y602 WeakPolarHBondContact CA-OH 3.33Å; I597-Y602 VanDerWaalsContact O-CB 3.24Å; I597-Y602 WeakPolarHBondContact O-CB 3.34Å; I597-Y602 PolarHBondContact O-N 3.39Å; Y602-C604 VanDerWaalsContact C-N 3.3Å; Y602-C604 PolarHBondContact O-N 3.06Å; Y602-W605 HydrophobicContact CD2-CE3 4.35Å; Y602-W605 HydrophobicContact CE2-CE3 4.18Å; Y602-W605 HydrophobicContact CE2-CZ3 4.43Å; Y602-W605 PolarHBondContact O-N 3.43Å; Y602-W605 VanDerWaalsContact O-N 3.16Å; Y602-L606 HydrophobicContact CD1-CD1 4.12Å; Y602-L606 HydrophobicContact CD2-CG 4.26Å; Y602-L606 HydrophobicContact CE1-CD1 3.65Å; Y602-L606 HydrophobicContact CE1-CG 4.34Å; Y602-L606 HydrophobicContact CE2-CD1 4.06Å; Y602-L606 HydrophobicContact CE2-CD2 3.95Å; Y602-L606 HydrophobicContact CE2-CG 3.82Å; Y602-L606 WeakPolarHBondContact O-CG 3.34Å; Y602-L606 PolarHBondContact O-N 2.9Å
603	P	97.1	Very high	95.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.4	-41.6	169.9	-32.6	40.2	0	0	0	113.6	S428 A598 L599 L606 L607	S428-P603 WeakPolarHBondContact O-CG 3.32Å; A598-P603 WeakPolarHBondContact O-CD 3.4Å; L599-P603 WeakPolarHBondContact O-CG 3.39Å; P603-L606 WeakPolarHBondContact O-CB 3.36Å; P603-L606 PolarHBondContact O-N 3.27Å; P603-L607 WeakPolarHBondContact O-CG 3.49Å; P603-L607 PolarHBondContact O-N 2.97Å
604	C	96.9	Very high	94.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-45	176.1	-169.2	0	0	0	0	111.6	Y499 L503 M600 V601 Y602 L606 L607 F608	Y499-C604 HydrophobicContact CD1-CB 3.92Å; Y499-C604 HydrophobicContact CE1-CB 3.66Å; L503-C604 HydrophobicContact CD2-CB 4.34Å; M600-C604 VanDerWaalsContact O-CB 3.3Å; M600-C604 WeakPolarHBondContact O-CB 3.27Å; M600-C604 PolarHBondContact O-N 3.2Å; V601-C604 WeakPolarHBondContact O-CB 3.34Å; V601-C604 PolarHBondContact O-N 2.97Å; Y602-C604 VanDerWaalsContact C-N 3.3Å; Y602-C604 PolarHBondContact O-N 3.06Å; C604-L606 VanDerWaalsContact C-N 3.32Å; C604-L606 PolarHBondContact O-N 3.16Å; C604-L607 WeakPolarHBondContact O-CB 3.29Å; C604-L607 PolarHBondContact O-N 3.43Å; C604-L607 VanDerWaalsContact O-N 3.17Å; C604-F608 WeakPolarHBondContact O-CD2 3.47Å
605	W	97.3	Very high	93.7	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.011	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-39.3	175.1	-177.7	93.4	0	0	0	112.2	L470 L542 P547 V601 Y602 L607 F608 W609	L470-W605 HydrophobicContact CD2-CH2 3.42Å; L470-W605 VanDerWaalsContact CD2-CH2 3.42Å; L470-W605 HydrophobicContact CD2-CZ3 3.56Å; L542-W605 HydrophobicContact CB-CZ2 4.15Å; L542-W605 VanDerWaalsContact O-CZ2 3.28Å; L542-W605 WeakPolarHBondContact O-CZ2 3.36Å; L542-W605 PolarHBondContact O-NE1 3.21Å; L542-W605 VanDerWaalsContact O-NE1 3.11Å; P547-W605 HydrophobicContact CG-CB 4.42Å; V601-W605 PolarHBondContact O-N 2.91Å; Y602-W605 HydrophobicContact CD2-CE3 4.35Å; Y602-W605 HydrophobicContact CE2-CE3 4.18Å; Y602-W605 HydrophobicContact CE2-CZ3 4.43Å; Y602-W605 PolarHBondContact O-N 3.43Å; Y602-W605 VanDerWaalsContact O-N 3.16Å; W605-L607 VanDerWaalsContact C-N 3.26Å; W605-L607 PolarHBondContact O-N 3.29Å; W605-F608 PolarHBondContact O-N 3.14Å; W605-F608 VanDerWaalsContact O-N 3.11Å; W605-W609 HydrophobicContact CE3-CB 4.36Å; W605-W609 HydrophobicContact CH2-CB 4.23Å; W605-W609 AromaticContact CH2-CD2 3.86Å; W605-W609 HydrophobicContact CH2-CD2 3.86Å; W605-W609 AromaticContact CH2-CE3 3.59Å; W605-W609 HydrophobicContact CH2-CE3 3.59Å; W605-W609 HydrophobicContact CH2-CG 4.15Å; W605-W609 HydrophobicContact CH2-CZ3 4.19Å; W605-W609 AromaticContact CZ2-CE3 3.94Å; W605-W609 HydrophobicContact CZ2-CE3 3.94Å; W605-W609 HydrophobicContact CZ2-CZ3 4.46Å; W605-W609 HydrophobicContact CZ3-CB 4Å; W605-W609 HydrophobicContact CZ3-CD2 4.31Å; W605-W609 HydrophobicContact CZ3-CE3 4.44Å; W605-W609 HydrophobicContact CZ3-CG 4.13Å; W605-W609 PolarHBondContact O-N 2.9Å
606	L	95.8	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-29.6	175.6	-74.8	173	0	0	0	113.3	T431 G469 L472 Y602 P603 C604 W609 N610	T431-L606 HydrophobicContact CG2-CD1 3.99Å; G469-L606 WeakPolarHBondContact O-CD2 3.23Å; L472-L606 HydrophobicContact CD1-CD1 4.01Å; L472-L606 HydrophobicContact CD1-CD2 4.44Å; Y602-L606 HydrophobicContact CD1-CD1 4.12Å; Y602-L606 HydrophobicContact CD2-CG 4.26Å; Y602-L606 HydrophobicContact CE1-CD1 3.65Å; Y602-L606 HydrophobicContact CE1-CG 4.34Å; Y602-L606 HydrophobicContact CE2-CD1 4.06Å; Y602-L606 HydrophobicContact CE2-CD2 3.95Å; Y602-L606 HydrophobicContact CE2-CG 3.82Å; Y602-L606 WeakPolarHBondContact O-CG 3.34Å; Y602-L606 PolarHBondContact O-N 2.9Å; P603-L606 WeakPolarHBondContact O-CB 3.36Å; P603-L606 PolarHBondContact O-N 3.27Å; C604-L606 VanDerWaalsContact C-N 3.32Å; C604-L606 PolarHBondContact O-N 3.16Å; L606-W609 WeakPolarHBondContact O-CB 3.5Å; L606-W609 PolarHBondContact O-N 3.08Å; L606-N610 WeakPolarHBondContact O-CB 3.14Å; L606-N610 PolarHBondContact O-N 2.87Å
607	L	94.8	Very high	93.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-43.6	173	-56.9	177.5	0	0	0	111.2	L425 S428 L492 A496 Y499 P603 C604 W605 W609 N610 I611	L425-L607 HydrophobicContact CD1-CD1 4.34Å; S428-L607 WeakPolarHBondContact OG-CD2 3.31Å; L492-L607 HydrophobicContact CD1-CD2 4.29Å; A496-L607 HydrophobicContact CB-CB 3.87Å; A496-L607 HydrophobicContact CB-CD1 3.9Å; Y499-L607 HydrophobicContact CD1-CD1 4.21Å; P603-L607 WeakPolarHBondContact O-CG 3.49Å; P603-L607 PolarHBondContact O-N 2.97Å; C604-L607 WeakPolarHBondContact O-CB 3.29Å; C604-L607 PolarHBondContact O-N 3.43Å; C604-L607 VanDerWaalsContact O-N 3.17Å; W605-L607 VanDerWaalsContact C-N 3.26Å; W605-L607 PolarHBondContact O-N 3.29Å; L607-W609 VanDerWaalsContact C-N 3.34Å; L607-N610 WeakPolarHBondContact O-CB 3.31Å; L607-N610 PolarHBondContact O-N 3.22Å; L607-I611 WeakPolarHBondContact O-CD1 3.35Å; L607-I611 VanDerWaalsContact O-CG1 3.27Å; L607-I611 WeakPolarHBondContact O-CG1 3.26Å; L607-I611 PolarHBondContact O-N 2.82Å
608	F	95	Very high	93.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-39.1	174.6	-62	-62.1	0	0	0	111.7	A496 V497 L500 V525 A526 V529 C604 W605 N610 I611 L612	A496-F608 HydrophobicContact CB-CD1 4.32Å; A496-F608 HydrophobicContact CB-CE1 3.73Å; A496-F608 HydrophobicContact CB-CE2 4.41Å; A496-F608 HydrophobicContact CB-CZ 3.78Å; V497-F608 HydrophobicContact CG2-CE1 4.02Å; V497-F608 HydrophobicContact CG2-CZ 4.3Å; L500-F608 HydrophobicContact CB-CE2 4.46Å; L500-F608 HydrophobicContact CB-CZ 4.44Å; L500-F608 HydrophobicContact CD2-CE2 4Å; L500-F608 HydrophobicContact CD2-CZ 4.19Å; V525-F608 HydrophobicContact CG1-CB 3.82Å; V525-F608 HydrophobicContact CG1-CD2 4.16Å; V525-F608 HydrophobicContact CG1-CG 4.04Å; A526-F608 HydrophobicContact CB-CE1 3.89Å; A526-F608 HydrophobicContact CB-CE2 4.2Å; A526-F608 HydrophobicContact CB-CZ 3.61Å; V529-F608 HydrophobicContact CG1-CB 4.33Å; V529-F608 WeakPolarHBondContact CG1-O 3.42Å; V529-F608 HydrophobicContact CG2-CB 4.43Å; C604-F608 WeakPolarHBondContact O-CD2 3.47Å; W605-F608 PolarHBondContact O-N 3.14Å; W605-F608 VanDerWaalsContact O-N 3.11Å; F608-N610 VanDerWaalsContact C-N 3.29Å; F608-N610 PolarHBondContact O-N 3Å; F608-I611 HydrophobicContact CD1-CD1 4.18Å; F608-I611 PolarHBondContact O-N 3.02Å; F608-L612 PolarHBondContact O-N 2.72Å; F608-L612 VanDerWaalsContact O-N 3.12Å
609	W	94.6	Very high	93	Very high	19 Å²	19	24.4 Å²	24.4	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-42.3	171.8	-173.3	-107.9	0	0	0	111.9	L470 P473 A539 L542 V543 W605 L606 L607 L612 F613	L470-W609 HydrophobicContact CB-CZ2 4.29Å; L470-W609 HydrophobicContact CD2-CD2 4.42Å; L470-W609 HydrophobicContact CD2-CZ2 4.22Å; L470-W609 PolarHBondContact O-NE1 3.31Å; P473-W609 VanDerWaalsContact CG-CD1 3.46Å; P473-W609 HydrophobicContact CG-CG 4.45Å; A539-W609 HydrophobicContact CB-CH2 3.83Å; A539-W609 HydrophobicContact CB-CZ3 3.93Å; L542-W609 HydrophobicContact CB-CE3 4.1Å; L542-W609 HydrophobicContact CB-CZ3 4.1Å; L542-W609 HydrophobicContact CD2-CE3 4.04Å; V543-W609 HydrophobicContact CG2-CH2 3.86Å; V543-W609 HydrophobicContact CG2-CZ3 3.78Å; W605-W609 HydrophobicContact CE3-CB 4.36Å; W605-W609 HydrophobicContact CH2-CB 4.23Å; W605-W609 AromaticContact CH2-CD2 3.86Å; W605-W609 HydrophobicContact CH2-CD2 3.86Å; W605-W609 AromaticContact CH2-CE3 3.59Å; W605-W609 HydrophobicContact CH2-CE3 3.59Å; W605-W609 HydrophobicContact CH2-CG 4.15Å; W605-W609 HydrophobicContact CH2-CZ3 4.19Å; W605-W609 AromaticContact CZ2-CE3 3.94Å; W605-W609 HydrophobicContact CZ2-CE3 3.94Å; W605-W609 HydrophobicContact CZ2-CZ3 4.46Å; W605-W609 HydrophobicContact CZ3-CB 4Å; W605-W609 HydrophobicContact CZ3-CD2 4.31Å; W605-W609 HydrophobicContact CZ3-CE3 4.44Å; W605-W609 HydrophobicContact CZ3-CG 4.13Å; W605-W609 PolarHBondContact O-N 2.9Å; L606-W609 WeakPolarHBondContact O-CB 3.5Å; L606-W609 PolarHBondContact O-N 3.08Å; L607-W609 VanDerWaalsContact C-N 3.34Å; W609-L612 PolarHBondContact O-N 3.42Å; W609-F613 HydrophobicContact CD2-CD2 4.43Å; W609-F613 HydrophobicContact CD2-CE2 4.01Å; W609-F613 AromaticContact CE2-CE2 3.59Å; W609-F613 HydrophobicContact CE3-CE2 4.28Å; W609-F613 AromaticContact CH2-CE2 3.84Å; W609-F613 HydrophobicContact CH2-CE2 3.84Å; W609-F613 HydrophobicContact CH2-CZ 4.29Å; W609-F613 HydrophobicContact CZ2-CD2 4.46Å; W609-F613 AromaticContact CZ2-CE2 3.52Å; W609-F613 HydrophobicContact CZ2-CE2 3.52Å; W609-F613 HydrophobicContact CZ2-CZ 4.15Å; W609-F613 HydrophobicContact CZ3-CE2 4.2Å; W609-F613 WeakPolarHBondContact O-CD2 3.41Å
610	N	91.8	Very high	92.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-43.9	176.1	-155.8	-91.4	0	0	0	112.5	L472 T476 L606 L607 F608 L612 F613 W614	L472-N610 VanDerWaalsContact CD2-ND2 3.28Å; L472-N610 WeakPolarHBondContact CD2-ND2 3.2Å; T476-N610 WeakPolarHBondContact CG2-ND2 3.27Å; T476-N610 PolarHBondContact OG1-ND2 3.44Å; L606-N610 WeakPolarHBondContact O-CB 3.14Å; L606-N610 PolarHBondContact O-N 2.87Å; L607-N610 WeakPolarHBondContact O-CB 3.31Å; L607-N610 PolarHBondContact O-N 3.22Å; F608-N610 VanDerWaalsContact C-N 3.29Å; F608-N610 PolarHBondContact O-N 3Å; N610-L612 VanDerWaalsContact C-N 3.31Å; N610-L612 PolarHBondContact O-N 3.47Å; N610-F613 PolarHBondContact O-N 2.95Å; N610-W614 PolarHBondContact O-N 2.81Å; N610-W614 VanDerWaalsContact O-N 3.14Å
611	I	91.4	Very high	92.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-38.2	179.4	-67	157	0	0	0	111.7	W489 L492 K493 V529 L607 F608 F613 W614	W489-I611 HydrophobicContact CE3-CG2 3.99Å; L492-I611 HydrophobicContact CB-CG1 4.47Å; L492-I611 HydrophobicContact CD2-CD1 4.45Å; L492-I611 HydrophobicContact CD2-CG1 3.82Å; L492-I611 HydrophobicContact CG-CD1 4.17Å; L492-I611 HydrophobicContact CG-CG1 4.04Å; K493-I611 VanDerWaalsContact CA-CD1 3.49Å; K493-I611 HydrophobicContact CB-CD1 3.7Å; K493-I611 HydrophobicContact CG-CD1 4.11Å; V529-I611 HydrophobicContact CG1-CB 4Å; V529-I611 HydrophobicContact CG1-CG2 3.85Å; L607-I611 WeakPolarHBondContact O-CD1 3.35Å; L607-I611 VanDerWaalsContact O-CG1 3.27Å; L607-I611 WeakPolarHBondContact O-CG1 3.26Å; L607-I611 PolarHBondContact O-N 2.82Å; F608-I611 HydrophobicContact CD1-CD1 4.18Å; F608-I611 PolarHBondContact O-N 3.02Å; I611-F613 VanDerWaalsContact C-N 3.26Å; I611-F613 PolarHBondContact O-N 2.95Å; I611-W614 VanDerWaalsContact O-CB 3.26Å; I611-W614 WeakPolarHBondContact O-CB 3.31Å; I611-W614 PolarHBondContact O-N 3.25Å
612	L	91.4	Very high	92	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-36.6	179	177.7	62.9	0	0	0	112.5	V529 V533 A539 L542 F608 W609 N610	V529-L612 HydrophobicContact CG1-CB 4.4Å; V533-L612 HydrophobicContact CG2-CD1 3.44Å; V533-L612 VanDerWaalsContact CG2-CD1 3.44Å; A539-L612 HydrophobicContact CB-CD2 3.87Å; L542-L612 HydrophobicContact CD2-CB 4.46Å; L542-L612 HydrophobicContact CD2-CD2 4.14Å; F608-L612 PolarHBondContact O-N 2.72Å; F608-L612 VanDerWaalsContact O-N 3.12Å; W609-L612 PolarHBondContact O-N 3.42Å; N610-L612 VanDerWaalsContact C-N 3.31Å; N610-L612 PolarHBondContact O-N 3.47Å
613	F	88.7	Confident	91.6	Very high	59 Å²	59	22 Å²	22	26%	0.259	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.4	-178.5	-69.8	-74.4	0	0	0	113.7	P473 H477 A539 W609 N610 I611	P473-F613 HydrophobicContact CB-CB 3.64Å; P473-F613 HydrophobicContact CB-CD2 4.28Å; P473-F613 HydrophobicContact CB-CG 4.2Å; P473-F613 HydrophobicContact CG-CB 4.07Å; P473-F613 HydrophobicContact CG-CD2 3.81Å; P473-F613 HydrophobicContact CG-CG 4.24Å; H477-F613 PolarHBondContact NE2-O 2.77Å; A539-F613 HydrophobicContact CB-CE2 4.45Å; A539-F613 HydrophobicContact CB-CZ 3.96Å; W609-F613 HydrophobicContact CD2-CD2 4.43Å; W609-F613 HydrophobicContact CD2-CE2 4.01Å; W609-F613 AromaticContact CE2-CE2 3.59Å; W609-F613 HydrophobicContact CE3-CE2 4.28Å; W609-F613 AromaticContact CH2-CE2 3.84Å; W609-F613 HydrophobicContact CH2-CE2 3.84Å; W609-F613 HydrophobicContact CH2-CZ 4.29Å; W609-F613 HydrophobicContact CZ2-CD2 4.46Å; W609-F613 AromaticContact CZ2-CE2 3.52Å; W609-F613 HydrophobicContact CZ2-CE2 3.52Å; W609-F613 HydrophobicContact CZ2-CZ 4.15Å; W609-F613 HydrophobicContact CZ3-CE2 4.2Å; W609-F613 WeakPolarHBondContact O-CD2 3.41Å; N610-F613 PolarHBondContact O-N 2.95Å; I611-F613 VanDerWaalsContact C-N 3.26Å; I611-F613 PolarHBondContact O-N 2.95Å
614	W	84.2	Confident	91.1	Very high	12 Å²	12	23.8 Å²	23.8	5%	0.045	10%	0.102	C	C	.	.			trans	-54.2	139.9	179.3	-161.7	-84.3	0	0	0	111.3	S420 P424 W489 L492 P531 N610 I611	S420-W614 WeakPolarHBondContact O-CH2 3.35Å; P424-W614 HydrophobicContact CG-CZ3 4.47Å; W489-W614 HydrophobicContact CB-CB 4.18Å; W489-W614 HydrophobicContact CB-CD2 3.66Å; W489-W614 HydrophobicContact CB-CE3 4.34Å; W489-W614 HydrophobicContact CB-CG 3.58Å; W489-W614 HydrophobicContact CG-CG 4.42Å; L492-W614 HydrophobicContact CD2-CE3 4.13Å; L492-W614 HydrophobicContact CD2-CH2 4.44Å; L492-W614 HydrophobicContact CD2-CZ3 3.61Å; P531-W614 HydrophobicContact CB-CB 4.16Å; N610-W614 PolarHBondContact O-N 2.81Å; N610-W614 VanDerWaalsContact O-N 3.14Å; I611-W614 VanDerWaalsContact O-CB 3.26Å; I611-W614 WeakPolarHBondContact O-CB 3.31Å; I611-W614 PolarHBondContact O-N 3.25Å
615	K	71.4	Confident	90.6	Very high	190 Å²	190	25.9 Å²	25.9	83%	0.826	11%	0.111	S	C	*	.			trans	-113.7	0	-175.5	-72.9	-169.9	179	-177.9	0	111.3	G484	G484-K615 VanDerWaalsContact CA-O 3.27Å; G484-K615 WeakPolarHBondContact CA-O 3.39Å

Retrieved 615 of 615 residues in 1063 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).