A0A077ZI41_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZI41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 624 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	57.4	Low	55.1	Low	63 Å²	63	72.9 Å²	72.9	31%	0.31	37%	0.373	S	S	.	.				0	-67.7	0	-170.6	-178.3	-82.9	0	0	112.1	R3 T4 I5 L28 C29 L43	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.21Å; M1-T4 CarbonylContact O-C 3.6Å; M1-T4 WeakPolarHBondContact O-CA 3.48Å; M1-T4 VanDerWaalsContact O-CB 3.32Å; M1-T4 WeakPolarHBondContact O-CB 3.33Å; M1-T4 PolarHBondContact O-N 3.25Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 3.02Å; M1-L28 HydrophobicContact CE-CB 3.61Å; M1-L28 HydrophobicContact CE-CD2 3.46Å; M1-L28 VanDerWaalsContact CE-CD2 3.46Å; M1-L28 HydrophobicContact CE-CG 3.28Å; M1-L28 WeakPolarHBondContact CE-O 3.38Å; M1-C29 HydrophobicContact CE-CB 4.13Å; M1-C29 VanDerWaalsContact CE-N 3.28Å; M1-C29 HydrophobicContact CG-CB 4.12Å; M1-C29 WeakPolarHBondContact SD-CA 3.4Å; M1-C29 HydrophobicContact SD-CB 3.35Å; M1-C29 WeakPolarHBondContact SD-CB 3.33Å; M1-L43 HydrophobicContact SD-CD1 4.21Å
2	V	57.8	Low	54.6	Low	24 Å²	24	79.5 Å²	79.5	15%	0.145	41%	0.41	C	S	.	.	H	α-helix	trans	-55.5	-45.4	177.9	-179.6	0	0	0	0	111.7	T4 I5 G6 L43 E46 V51	V2-T4 VanDerWaalsContact C-N 3.3Å; V2-T4 PolarHBondContact O-N 2.69Å; V2-I5 PolarHBondContact O-N 2.97Å; V2-G6 PolarHBondContact O-N 3.33Å; V2-L43 HydrophobicContact CG2-CD1 4.45Å; V2-E46 HydrophobicContact CG2-CB 4.33Å; V2-V51 HydrophobicContact CG1-CG2 4.38Å
3	R	59.3	Low	53.8	Low	222 Å²	222	80.3 Å²	80.3	84%	0.838	42%	0.415	S	S	*	.	H	α-helix	trans	-59.8	-35.7	171.9	-70.3	-174.5	-178.1	174.6	0.6	113.6	M1 G6 M7	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.21Å; R3-G6 PolarHBondContact O-N 3.42Å; R3-M7 VanDerWaalsContact O-CB 3.25Å; R3-M7 WeakPolarHBondContact O-CB 3.42Å; R3-M7 WeakPolarHBondContact O-CG 3.45Å; R3-M7 PolarHBondContact O-N 3.4Å
4	T	58.4	Low	53.2	Low	52 Å²	52	79.5 Å²	79.5	32%	0.319	41%	0.411	S	S	.	.	H	α-helix	trans	-71.2	-41.2	178.9	-43.1	0	0	0	0	111.2	M1 V2 M7 G8 L21 A25	M1-T4 CarbonylContact O-C 3.6Å; M1-T4 WeakPolarHBondContact O-CA 3.48Å; M1-T4 VanDerWaalsContact O-CB 3.32Å; M1-T4 WeakPolarHBondContact O-CB 3.33Å; M1-T4 PolarHBondContact O-N 3.25Å; V2-T4 VanDerWaalsContact C-N 3.3Å; V2-T4 PolarHBondContact O-N 2.69Å; T4-M7 PolarHBondContact O-N 3.21Å; T4-G8 PolarHBondContact O-N 3.47Å; T4-L21 HydrophobicContact CG2-CD2 4.12Å; T4-A25 HydrophobicContact CG2-CB 4.16Å
5	I	57.3	Low	52.3	Low	1 Å²	1	81.1 Å²	81.1	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-65.9	-42.6	173.4	-58.7	171	0	0	0	109.3	M1 V2 G8 N9 L22 A25 C29 V51 A55	M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 3.02Å; V2-I5 PolarHBondContact O-N 2.97Å; I5-G8 PolarHBondContact O-N 2.98Å; I5-N9 PolarHBondContact O-N 3.28Å; I5-L22 HydrophobicContact CB-CD1 4.33Å; I5-L22 HydrophobicContact CG1-CD1 4.38Å; I5-L22 HydrophobicContact CG2-CD1 3.97Å; I5-A25 HydrophobicContact CG1-CB 3.99Å; I5-C29 HydrophobicContact CD1-CB 4.28Å; I5-V51 HydrophobicContact CB-CG1 4.11Å; I5-V51 HydrophobicContact CG2-CG1 3.7Å; I5-A55 HydrophobicContact CG2-CB 3.97Å
6	G	53.8	Low	52.1	Low	33 Å²	33	79.1 Å²	79.1	34%	0.34	44%	0.435	S	S	.	.	H	α-helix	trans	-63.7	-39.9	175	0	0	0	0	0	113.9	V2 R3 N9 S10	V2-G6 PolarHBondContact O-N 3.33Å; R3-G6 PolarHBondContact O-N 3.42Å; G6-N9 WeakPolarHBondContact O-CB 3.3Å; G6-N9 PolarHBondContact O-N 3.48Å; G6-S10 PolarHBondContact O-N 3.04Å
7	M	54.4	Low	51.7	Low	119 Å²	119	82.1 Å²	82.1	59%	0.586	45%	0.45	S	S	*	.	H	α-helix	trans	-72.7	-27.1	173.5	-75.9	175.1	60.6	0	0	112.9	R3 T4 N9 S10	R3-M7 VanDerWaalsContact O-CB 3.25Å; R3-M7 WeakPolarHBondContact O-CB 3.42Å; R3-M7 WeakPolarHBondContact O-CG 3.45Å; R3-M7 PolarHBondContact O-N 3.4Å; T4-M7 PolarHBondContact O-N 3.21Å; M7-N9 VanDerWaalsContact C-N 3.3Å; M7-S10 PolarHBondContact O-OG 3.37Å
8	G	53.3	Low	51.7	Low	7 Å²	7	78.5 Å²	78.5	7%	0.072	44%	0.435	C	S	.	.	H	α-helix	trans	-70.6	-30.2	169.2	0	0	0	0	0	111.6	T4 I5 S10 L14	T4-G8 PolarHBondContact O-N 3.47Å; I5-G8 PolarHBondContact O-N 2.98Å; G8-S10 VanDerWaalsContact C-N 3.31Å; G8-S10 PolarHBondContact O-N 3.3Å; G8-L14 VanDerWaalsContact O-CD1 3.31Å; G8-L14 WeakPolarHBondContact O-CD1 3.48Å; G8-L14 WeakPolarHBondContact O-CD2 3.2Å; G8-L14 WeakPolarHBondContact O-CG 3.34Å
9	N	50.8	Low	51.5	Low	47 Å²	47	75.7 Å²	75.7	25%	0.251	43%	0.427	S	S	.	.	S	Bend	trans	-75.7	-11.5	174.8	-80.2	-6.8	0	0	0	113.9	I5 G6 M7 A55	I5-N9 PolarHBondContact O-N 3.28Å; G6-N9 WeakPolarHBondContact O-CB 3.3Å; G6-N9 PolarHBondContact O-N 3.48Å; M7-N9 VanDerWaalsContact C-N 3.3Å; N9-A55 WeakPolarHBondContact OD1-CA 3.45Å; N9-A55 VanDerWaalsContact OD1-CB 3.24Å; N9-A55 WeakPolarHBondContact OD1-CB 3.5Å
10	S	53.3	Low	51.8	Low	61 Å²	61	76.9 Å²	76.9	43%	0.427	43%	0.43	S	S	.	.	S	Bend	trans	-82	137	173.7	57.7	0	0	0	0	111.5	G6 M7 G8 N12	G6-S10 PolarHBondContact O-N 3.04Å; M7-S10 PolarHBondContact O-OG 3.37Å; G8-S10 VanDerWaalsContact C-N 3.31Å; G8-S10 PolarHBondContact O-N 3.3Å; S10-N12 PolarHBondContact O-N 3.38Å
11	E	50.8	Low	52	Low	173 Å²	173	77.9 Å²	77.9	81%	0.808	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-12.3	-153.9	-65.6	177.9	146.9	0	0	117.8
12	N	48.4	Very low	52	Low	152 Å²	152	75.8 Å²	75.8	81%	0.813	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-4.2	-166.6	-75	-20.5	0	0	0	116.7	S10	S10-N12 PolarHBondContact O-N 3.38Å
13	N	44.3	Very low	52	Low	90 Å²	90	79.5 Å²	79.5	48%	0.481	44%	0.441	S	S	.	.	S	Bend	trans	-114.6	-0.8	-169.3	-80.4	-28.9	0	0	0	116.8	C15 G18	N13-C15 PolarHBondContact O-N 2.98Å; N13-G18 CarbonylContact O-C 3.52Å; N13-G18 WeakPolarHBondContact O-CA 3.5Å
14	L	45.4	Very low	52.2	Low	69 Å²	69	72.6 Å²	72.6	36%	0.361	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.3	-172.1	-73.9	158.3	0	0	0	115.2	G8 L22	G8-L14 VanDerWaalsContact O-CD1 3.31Å; G8-L14 WeakPolarHBondContact O-CD1 3.48Å; G8-L14 WeakPolarHBondContact O-CD2 3.2Å; G8-L14 WeakPolarHBondContact O-CG 3.34Å; L14-L22 HydrophobicContact CD2-CD2 3.55Å
15	C	40.5	Very low	52.5	Low	104 Å²	104	70.4 Å²	70.4	70%	0.703	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	9	-173.8	-65.3	0	0	0	0	114.9	N13 R62	N13-C15 PolarHBondContact O-N 2.98Å; C15-R62 PolarHBondContact SG-NH2 2.9Å; C15-R62 VanDerWaalsContact SG-NH2 3.37Å
16	G	48.9	Very low	52.8	Low	48 Å²	48	71.9 Å²	71.9	50%	0.495	42%	0.42	S	S	.	.	S	Bend	trans	-127	-153.1	172.8	0	0	0	0	0	111.9	G18 G19	G16-G18 PolarHBondContact O-N 3.33Å; G16-G19 PolarHBondContact O-N 3.31Å
17	N	45.4	Very low	53.4	Low	130 Å²	130	75.7 Å²	75.7	70%	0.695	43%	0.429	S	S	*	.	H	α-helix	trans	-48.9	-20.1	173.4	-75.6	-18.6	0	0	0	113.9	G19 I20 L21	N17-G19 VanDerWaalsContact C-N 3.34Å; N17-G19 PolarHBondContact O-N 2.95Å; N17-I20 PolarHBondContact O-N 3.2Å; N17-L21 PolarHBondContact O-N 3.5Å
18	G	50.7	Low	54.1	Low	18 Å²	18	74.5 Å²	74.5	19%	0.186	43%	0.425	C	S	.	.	H	α-helix	trans	-63.3	-28.5	172.8	0	0	0	0	0	115.3	N13 G16 L21 L22	N13-G18 CarbonylContact O-C 3.52Å; N13-G18 WeakPolarHBondContact O-CA 3.5Å; G16-G18 PolarHBondContact O-N 3.33Å; G18-L21 PolarHBondContact O-N 3.27Å; G18-L22 PolarHBondContact O-N 3.12Å
19	G	48.5	Very low	54.7	Low	26 Å²	26	74.2 Å²	74.2	27%	0.268	42%	0.422	S	S	.	.	H	α-helix	trans	-70.1	-38.8	173.6	0	0	0	0	0	112.9	G16 N17 L22 M23	G16-G19 PolarHBondContact O-N 3.31Å; N17-G19 VanDerWaalsContact C-N 3.34Å; N17-G19 PolarHBondContact O-N 2.95Å; G19-L22 PolarHBondContact O-N 3.47Å; G19-M23 PolarHBondContact O-N 3.31Å
20	I	56.6	Low	55.5	Low	98 Å²	98	78.2 Å²	78.2	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-64.9	-45.1	171.6	-61.3	171	0	0	0	109.4	N17 L22 M23 V24	N17-I20 PolarHBondContact O-N 3.2Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.95Å; I20-M23 WeakPolarHBondContact O-CB 3.47Å; I20-M23 PolarHBondContact O-N 3.07Å; I20-V24 HydrophobicContact CG2-CG2 4.24Å; I20-V24 WeakPolarHBondContact O-CB 3.41Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 2.94Å
21	L	56.6	Low	56.3	Low	99 Å²	99	79.5 Å²	79.5	52%	0.518	44%	0.439	S	S	.	.	H	α-helix	trans	-59.6	-40.4	176.1	-99.3	139.7	0	0	0	112.7	T4 N17 G18 A25	T4-L21 HydrophobicContact CG2-CD2 4.12Å; N17-L21 PolarHBondContact O-N 3.5Å; G18-L21 PolarHBondContact O-N 3.27Å; L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 3.24Å
22	L	58.1	Low	57.1	Low	19 Å²	19	73.1 Å²	73.1	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-65.6	-45.4	174.7	-178.4	65.1	0	0	0	111	I5 L14 G18 G19 I20 A25 T26	I5-L22 HydrophobicContact CB-CD1 4.33Å; I5-L22 HydrophobicContact CG1-CD1 4.38Å; I5-L22 HydrophobicContact CG2-CD1 3.97Å; L14-L22 HydrophobicContact CD2-CD2 3.55Å; G18-L22 PolarHBondContact O-N 3.12Å; G19-L22 PolarHBondContact O-N 3.47Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.95Å; L22-A25 PolarHBondContact O-N 2.8Å; L22-T26 HydrophobicContact CD1-CG2 4.34Å; L22-T26 PolarHBondContact O-N 3.4Å; L22-T26 PolarHBondContact O-OG1 3.01Å
23	M	57.8	Low	58	Low	102 Å²	102	68.1 Å²	68.1	50%	0.502	39%	0.386	S	S	.	.	H	α-helix	trans	-57.6	-52.9	177.8	-174	175.3	71.9	0	0	111.1	G19 I20 A25 T26 E27	G19-M23 PolarHBondContact O-N 3.31Å; I20-M23 WeakPolarHBondContact O-CB 3.47Å; I20-M23 PolarHBondContact O-N 3.07Å; M23-A25 VanDerWaalsContact C-N 3.3Å; M23-A25 PolarHBondContact O-N 2.86Å; M23-T26 WeakPolarHBondContact CA-OG1 3.42Å; M23-T26 PolarHBondContact O-N 2.73Å; M23-T26 PolarHBondContact O-OG1 3.34Å; M23-E27 WeakPolarHBondContact O-CB 3.36Å; M23-E27 PolarHBondContact O-N 2.83Å
24	V	63.3	Low	59.4	Low	76 Å²	76	67.3 Å²	67.3	46%	0.461	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-39.4	176.5	176.3	0	0	0	0	110.8	I20 L28	I20-V24 HydrophobicContact CG2-CG2 4.24Å; I20-V24 WeakPolarHBondContact O-CB 3.41Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 2.94Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 PolarHBondContact O-N 3.42Å
25	A	64.8	Low	60.7	Low	7 Å²	7	69 Å²	69	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-67.3	-40.3	177.6	0	0	0	0	0	112.5	T4 I5 L21 L22 M23 C29	T4-A25 HydrophobicContact CG2-CB 4.16Å; I5-A25 HydrophobicContact CG1-CB 3.99Å; L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 3.24Å; L22-A25 PolarHBondContact O-N 2.8Å; M23-A25 VanDerWaalsContact C-N 3.3Å; M23-A25 PolarHBondContact O-N 2.86Å; A25-C29 WeakPolarHBondContact O-CB 3.37Å; A25-C29 PolarHBondContact O-N 3.33Å
26	T	63.6	Low	62.3	Low	32 Å²	32	66.2 Å²	66.2	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-69.5	-38.4	175.6	42.6	0	0	0	0	112.6	L22 M23 C29 F30	L22-T26 HydrophobicContact CD1-CG2 4.34Å; L22-T26 PolarHBondContact O-N 3.4Å; L22-T26 PolarHBondContact O-OG1 3.01Å; M23-T26 WeakPolarHBondContact CA-OG1 3.42Å; M23-T26 PolarHBondContact O-N 2.73Å; M23-T26 PolarHBondContact O-OG1 3.34Å; T26-C29 WeakPolarHBondContact O-CB 3.45Å; T26-C29 PolarHBondContact O-N 3.01Å; T26-F30 PolarHBondContact O-N 3.24Å
27	E	66	Low	63.5	Low	113 Å²	113	69.5 Å²	69.5	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-69.8	-45.4	176.9	-171	168.3	-162.7	0	0	110.9	M23 C29 F30 L31	M23-E27 WeakPolarHBondContact O-CB 3.36Å; M23-E27 PolarHBondContact O-N 2.83Å; E27-C29 PolarHBondContact O-N 3.1Å; E27-F30 WeakPolarHBondContact O-CB 3.49Å; E27-F30 PolarHBondContact O-N 3.41Å; E27-F30 VanDerWaalsContact O-N 3.16Å; E27-L31 HydrophobicContact CG-CD1 4.42Å; E27-L31 WeakPolarHBondContact O-CG 3.36Å; E27-L31 PolarHBondContact O-N 3.48Å
28	L	68.7	Low	65	Low	94 Å²	94	68.1 Å²	68.1	49%	0.492	40%	0.396	S	S	.	.	H	α-helix	trans	-59.5	-36.9	171.4	-171.3	71.6	0	0	0	110.8	M1 V24 L31 T32	M1-L28 HydrophobicContact CE-CB 3.61Å; M1-L28 HydrophobicContact CE-CD2 3.46Å; M1-L28 VanDerWaalsContact CE-CD2 3.46Å; M1-L28 HydrophobicContact CE-CG 3.28Å; M1-L28 WeakPolarHBondContact CE-O 3.38Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 PolarHBondContact O-N 3.42Å; L28-L31 PolarHBondContact O-N 3.42Å; L28-T32 WeakPolarHBondContact O-CB 3.37Å; L28-T32 PolarHBondContact O-N 3.36Å; L28-T32 PolarHBondContact O-OG1 3.3Å
29	C	66.4	Low	66.1	Low	1 Å²	1	70.1 Å²	70.1	1%	0.007	40%	0.403	C	S	.	.	H	α-helix	trans	-64.6	-44.6	175.3	-165.7	0	0	0	0	112.2	M1 I5 A25 T26 E27 T32 V33 L43	M1-C29 HydrophobicContact CE-CB 4.13Å; M1-C29 VanDerWaalsContact CE-N 3.28Å; M1-C29 HydrophobicContact CG-CB 4.12Å; M1-C29 WeakPolarHBondContact SD-CA 3.4Å; M1-C29 HydrophobicContact SD-CB 3.35Å; M1-C29 WeakPolarHBondContact SD-CB 3.33Å; I5-C29 HydrophobicContact CD1-CB 4.28Å; A25-C29 WeakPolarHBondContact O-CB 3.37Å; A25-C29 PolarHBondContact O-N 3.33Å; T26-C29 WeakPolarHBondContact O-CB 3.45Å; T26-C29 PolarHBondContact O-N 3.01Å; E27-C29 PolarHBondContact O-N 3.1Å; C29-T32 PolarHBondContact O-N 2.85Å; C29-V33 WeakPolarHBondContact O-CG2 3.34Å; C29-V33 PolarHBondContact O-N 3.34Å; C29-L43 WeakPolarHBondContact SG-CD2 3.41Å
30	F	66.5	Low	67	Low	131 Å²	131	71.2 Å²	71.2	58%	0.575	40%	0.404	S	S	*	.	H	α-helix	trans	-59.5	-49.1	173.9	176.6	-96.9	0	0	0	111.6	T26 E27 T32 V33 A34	T26-F30 PolarHBondContact O-N 3.24Å; E27-F30 WeakPolarHBondContact O-CB 3.49Å; E27-F30 PolarHBondContact O-N 3.41Å; E27-F30 VanDerWaalsContact O-N 3.16Å; F30-T32 VanDerWaalsContact C-N 3.3Å; F30-T32 PolarHBondContact O-N 3.17Å; F30-V33 PolarHBondContact O-N 2.84Å; F30-A34 WeakPolarHBondContact O-CB 3.2Å; F30-A34 PolarHBondContact O-N 3.08Å
31	L	70	Confident	67.7	Low	88 Å²	88	71.9 Å²	71.9	46%	0.461	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-38.7	176.9	-67	171.6	0	0	0	111.6	E27 L28 V33 A34 C35	E27-L31 HydrophobicContact CG-CD1 4.42Å; E27-L31 WeakPolarHBondContact O-CG 3.36Å; E27-L31 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 3.42Å; L31-V33 PolarHBondContact O-N 3.28Å; L31-A34 PolarHBondContact O-N 3.44Å; L31-C35 WeakPolarHBondContact O-CB 3.47Å; L31-C35 PolarHBondContact O-N 3.24Å; L31-C35 PolarHBondContact O-SG 3.5Å
32	T	68.8	Low	68.6	Low	38 Å²	38	71.3 Å²	71.3	23%	0.233	40%	0.4	C	S	.	.	H	α-helix	trans	-65.5	-40.2	179.2	-63.5	0	0	0	0	112	L28 C29 F30 N39	L28-T32 WeakPolarHBondContact O-CB 3.37Å; L28-T32 PolarHBondContact O-N 3.36Å; L28-T32 PolarHBondContact O-OG1 3.3Å; C29-T32 PolarHBondContact O-N 2.85Å; F30-T32 VanDerWaalsContact C-N 3.3Å; F30-T32 PolarHBondContact O-N 3.17Å; T32-N39 HydrophobicContact CG2-CB 3.84Å; T32-N39 VanDerWaalsContact O-CB 3.26Å; T32-N39 WeakPolarHBondContact O-CB 3.41Å; T32-N39 PolarHBondContact O-ND2 3.42Å
33	V	67	Low	69.1	Low	48 Å²	48	71 Å²	71	29%	0.291	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-39	173.6	165.5	0	0	0	0	111.1	C29 F30 L31 C35 V40 L43	C29-V33 WeakPolarHBondContact O-CG2 3.34Å; C29-V33 PolarHBondContact O-N 3.34Å; F30-V33 PolarHBondContact O-N 2.84Å; L31-V33 PolarHBondContact O-N 3.28Å; V33-C35 VanDerWaalsContact C-N 3.35Å; V33-C35 PolarHBondContact O-N 3.15Å; V33-V40 HydrophobicContact CB-CG2 4.27Å; V33-V40 HydrophobicContact CG1-CG2 3.77Å; V33-V40 WeakPolarHBondContact O-CG2 3.41Å; V33-L43 HydrophobicContact CG2-CD2 4.18Å
34	A	73.2	Confident	69.8	Low	72 Å²	72	75.2 Å²	75.2	60%	0.595	41%	0.408	S	S	*	.	H	α-helix	trans	-68.9	-29	178.9	0	0	0	0	0	113.5	F30 L31	F30-A34 WeakPolarHBondContact O-CB 3.2Å; F30-A34 PolarHBondContact O-N 3.08Å; L31-A34 PolarHBondContact O-N 3.44Å
35	C	73.6	Confident	70.5	Confident	106 Å²	106	80.5 Å²	80.5	72%	0.716	42%	0.42	S	S	*	.	H	α-helix	trans	-84.5	-22.1	-173.9	-70.4	0	0	0	0	115.7	L31 V33	L31-C35 WeakPolarHBondContact O-CB 3.47Å; L31-C35 PolarHBondContact O-N 3.24Å; L31-C35 PolarHBondContact O-SG 3.5Å; V33-C35 VanDerWaalsContact C-N 3.35Å; V33-C35 PolarHBondContact O-N 3.15Å
36	S	74.3	Confident	71.1	Confident	44 Å²	44	85.1 Å²	85.1	31%	0.308	44%	0.44	S	S	.	.			trans	-160.4	133.4	-177.8	175.3	0	0	0	0	112.9	V38 N39 V40	S36-V38 PolarHBondContact O-N 3.08Å; S36-V38 PolarHBondContact OG-N 3.31Å; S36-N39 WeakPolarHBondContact O-CB 3.3Å; S36-N39 PolarHBondContact O-N 3.27Å; S36-V40 PolarHBondContact O-N 3.02Å
37	V	73	Confident	71.3	Confident	117 Å²	117	88.3 Å²	88.3	71%	0.709	46%	0.456	S	S	*	.	H	α-helix	trans	-58.9	-34.1	173.5	-175.7	0	0	0	0	111.5	N39 V40 E41	V37-N39 VanDerWaalsContact C-N 3.3Å; V37-N39 PolarHBondContact O-N 3.28Å; V37-V40 WeakPolarHBondContact O-CB 3.2Å; V37-V40 PolarHBondContact O-N 2.92Å; V37-E41 PolarHBondContact O-N 3.28Å
38	V	77.7	Confident	71.2	Confident	102 Å²	102	83 Å²	83	62%	0.618	43%	0.432	S	S	*	.	H	α-helix	trans	-64.6	-35.9	177.6	-176.7	0	0	0	0	111.2	S36 V40 E41 Q42	S36-V38 PolarHBondContact O-N 3.08Å; S36-V38 PolarHBondContact OG-N 3.31Å; V38-V40 VanDerWaalsContact C-N 3.33Å; V38-E41 PolarHBondContact O-N 3.11Å; V38-Q42 PolarHBondContact O-N 2.99Å
39	N	73.3	Confident	71.3	Confident	60 Å²	60	81.7 Å²	81.7	32%	0.321	43%	0.425	S	S	.	.	H	α-helix	trans	-67.9	-35.5	176.7	-67.6	-15.3	0	0	0	111.6	T32 S36 V37 Q42 L43	T32-N39 HydrophobicContact CG2-CB 3.84Å; T32-N39 VanDerWaalsContact O-CB 3.26Å; T32-N39 WeakPolarHBondContact O-CB 3.41Å; T32-N39 PolarHBondContact O-ND2 3.42Å; S36-N39 WeakPolarHBondContact O-CB 3.3Å; S36-N39 PolarHBondContact O-N 3.27Å; V37-N39 VanDerWaalsContact C-N 3.3Å; V37-N39 PolarHBondContact O-N 3.28Å; N39-Q42 PolarHBondContact O-N 2.96Å; N39-L43 WeakPolarHBondContact O-CB 3.14Å; N39-L43 PolarHBondContact O-N 3.48Å
40	V	67.3	Low	71.4	Confident	49 Å²	49	87 Å²	87	30%	0.297	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-45	176.1	-172.1	0	0	0	0	110.8	V33 S36 V37 V38 L43 R44	V33-V40 HydrophobicContact CB-CG2 4.27Å; V33-V40 HydrophobicContact CG1-CG2 3.77Å; V33-V40 WeakPolarHBondContact O-CG2 3.41Å; S36-V40 PolarHBondContact O-N 3.02Å; V37-V40 WeakPolarHBondContact O-CB 3.2Å; V37-V40 PolarHBondContact O-N 2.92Å; V38-V40 VanDerWaalsContact C-N 3.33Å; V40-L43 PolarHBondContact O-N 3.36Å; V40-R44 WeakPolarHBondContact O-CB 3.37Å; V40-R44 PolarHBondContact O-N 3.13Å
41	E	71.7	Confident	71.5	Confident	111 Å²	111	82 Å²	82	52%	0.519	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-41.9	176.2	-72.1	-163.2	161.2	0	0	112.1	V37 V38 R44 R45	V37-E41 PolarHBondContact O-N 3.28Å; V38-E41 PolarHBondContact O-N 3.11Å; E41-R44 PolarHBondContact O-N 3.3Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.09Å
42	Q	74.9	Confident	71.4	Confident	87 Å²	87	81.4 Å²	81.4	41%	0.407	42%	0.421	S	S	.	.	H	α-helix	trans	-64.7	-43.3	177.1	-170.6	63.5	14.6	0	0	111.7	V38 N39 R44 R45 E46	V38-Q42 PolarHBondContact O-N 2.99Å; N39-Q42 PolarHBondContact O-N 2.96Å; Q42-R44 VanDerWaalsContact C-N 3.28Å; Q42-R44 PolarHBondContact O-N 3.26Å; Q42-R45 PolarHBondContact O-N 3.16Å; Q42-E46 PolarHBondContact NE2-OE1 3.28Å; Q42-E46 PolarHBondContact O-N 3.17Å
43	L	69.7	Low	71.5	Confident	12 Å²	12	83.5 Å²	83.5	6%	0.063	43%	0.432	C	S	.	.	H	α-helix	trans	-64.9	-33.9	177.5	-145.1	101.8	0	0	0	112	M1 V2 C29 V33 N39 V40 G48 L49	M1-L43 HydrophobicContact SD-CD1 4.21Å; V2-L43 HydrophobicContact CG2-CD1 4.45Å; C29-L43 WeakPolarHBondContact SG-CD2 3.41Å; V33-L43 HydrophobicContact CG2-CD2 4.18Å; N39-L43 WeakPolarHBondContact O-CB 3.14Å; N39-L43 PolarHBondContact O-N 3.48Å; V40-L43 PolarHBondContact O-N 3.36Å; L43-G48 WeakPolarHBondContact O-CA 3.46Å; L43-G48 PolarHBondContact O-N 2.99Å; L43-L49 HydrophobicContact CD2-CD2 3.73Å; L43-L49 HydrophobicContact CD2-CG 3.98Å
44	R	72.7	Confident	71.6	Confident	191 Å²	191	85 Å²	85	72%	0.721	44%	0.435	S	S	*	.	H	α-helix	trans	-67.8	-42.8	172.3	-172.8	-179.7	-177.9	167.2	1.8	111.6	V40 E41 Q42 E46 N47 L49	V40-R44 WeakPolarHBondContact O-CB 3.37Å; V40-R44 PolarHBondContact O-N 3.13Å; E41-R44 PolarHBondContact O-N 3.3Å; Q42-R44 VanDerWaalsContact C-N 3.28Å; Q42-R44 PolarHBondContact O-N 3.26Å; R44-E46 VanDerWaalsContact C-N 3.3Å; R44-E46 PolarHBondContact O-N 3.45Å; R44-N47 PolarHBondContact O-N 3.35Å; R44-L49 HydrophobicContact CB-CD1 4.23Å
45	R	77.4	Confident	71.3	Confident	187 Å²	187	81.9 Å²	81.9	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-63.6	-33.2	177.7	-76.3	177.3	-177.4	-179.4	3.5	113	E41 Q42 N47	E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.09Å; Q42-R45 PolarHBondContact O-N 3.16Å; R45-N47 VanDerWaalsContact C-N 3.32Å
46	E	77.3	Confident	71.2	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	13.3	178.8	-67	-178.5	-169.4	0	0	113.7	V2 Q42 R44 G48	V2-E46 HydrophobicContact CG2-CB 4.33Å; Q42-E46 PolarHBondContact NE2-OE1 3.28Å; Q42-E46 PolarHBondContact O-N 3.17Å; R44-E46 VanDerWaalsContact C-N 3.3Å; R44-E46 PolarHBondContact O-N 3.45Å; E46-G48 PolarHBondContact O-N 2.92Å
47	N	68.1	Low	71.1	Confident	100 Å²	100	83.8 Å²	83.8	54%	0.535	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	17	-173.5	-62.9	-25.1	0	0	0	114.5	R44 R45 L49 Q50 V51	R44-N47 PolarHBondContact O-N 3.35Å; R45-N47 VanDerWaalsContact C-N 3.32Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.27Å; N47-Q50 WeakPolarHBondContact O-CB 3.28Å; N47-Q50 PolarHBondContact O-N 3.41Å; N47-Q50 VanDerWaalsContact O-N 3.11Å; N47-V51 WeakPolarHBondContact O-CG2 3.18Å; N47-V51 PolarHBondContact O-N 3.46Å; N47-V51 VanDerWaalsContact O-N 3.07Å
48	G	64.2	Low	71.1	Confident	1 Å²	1	82.6 Å²	82.6	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-64.7	-29.9	-174.9	0	0	0	0	0	114.1	L43 E46 R52	L43-G48 WeakPolarHBondContact O-CA 3.46Å; L43-G48 PolarHBondContact O-N 2.99Å; E46-G48 PolarHBondContact O-N 2.92Å; G48-R52 WeakPolarHBondContact O-CB 3.43Å; G48-R52 PolarHBondContact O-N 2.64Å
49	L	69.4	Low	71	Confident	66 Å²	66	83.6 Å²	83.6	35%	0.346	39%	0.39	S	S	.	.	H	α-helix	trans	-67.1	-39	173.7	-69	174.7	0	0	0	112.3	L43 R44 N47 R52 N53	L43-L49 HydrophobicContact CD2-CD2 3.73Å; L43-L49 HydrophobicContact CD2-CG 3.98Å; R44-L49 HydrophobicContact CB-CD1 4.23Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.27Å; L49-R52 PolarHBondContact O-N 3.25Å; L49-N53 PolarHBondContact O-N 3.31Å
50	Q	69.6	Low	71.2	Confident	112 Å²	112	86.1 Å²	86.1	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-48.6	178.2	-178.9	176.5	-7.8	0	0	110.4	N47 R52 N53 E54	N47-Q50 WeakPolarHBondContact O-CB 3.28Å; N47-Q50 PolarHBondContact O-N 3.41Å; N47-Q50 VanDerWaalsContact O-N 3.11Å; Q50-R52 PolarHBondContact O-N 2.89Å; Q50-N53 PolarHBondContact O-N 3.33Å; Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.33Å; Q50-E54 PolarHBondContact NE2-OE1 3.24Å; Q50-E54 WeakPolarHBondContact O-CG 3.34Å; Q50-E54 PolarHBondContact O-N 3.22Å
51	V	67.6	Low	71.8	Confident	28 Å²	28	85.3 Å²	85.3	17%	0.17	40%	0.401	C	S	.	.	H	α-helix	trans	-57.5	-37.5	175.7	175.9	0	0	0	0	111.5	V2 I5 N47 A55	V2-V51 HydrophobicContact CG1-CG2 4.38Å; I5-V51 HydrophobicContact CB-CG1 4.11Å; I5-V51 HydrophobicContact CG2-CG1 3.7Å; N47-V51 WeakPolarHBondContact O-CG2 3.18Å; N47-V51 PolarHBondContact O-N 3.46Å; N47-V51 VanDerWaalsContact O-N 3.07Å; V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 3.09Å
52	R	68.5	Low	72.3	Confident	74 Å²	74	84.3 Å²	84.3	28%	0.279	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-44.4	173.8	-171.1	-170.1	79.1	113.6	3.9	112.3	G48 L49 Q50 A55 M56	G48-R52 WeakPolarHBondContact O-CB 3.43Å; G48-R52 PolarHBondContact O-N 2.64Å; L49-R52 PolarHBondContact O-N 3.25Å; Q50-R52 PolarHBondContact O-N 2.89Å; R52-A55 PolarHBondContact O-N 3.02Å; R52-M56 HydrophobicContact CG-SD 4.48Å; R52-M56 WeakPolarHBondContact O-CG 3.21Å; R52-M56 PolarHBondContact O-N 2.71Å
53	N	70.9	Confident	72.7	Confident	83 Å²	83	84.2 Å²	84.2	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-66	-45.1	-179.1	-165.1	29.6	0	0	0	111.3	L49 Q50 A55 M56 Q57	L49-N53 PolarHBondContact O-N 3.31Å; Q50-N53 PolarHBondContact O-N 3.33Å; N53-A55 PolarHBondContact O-N 3.46Å; N53-M56 PolarHBondContact O-N 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.44Å; N53-Q57 PolarHBondContact O-N 3.22Å
54	E	69.3	Low	73.5	Confident	79 Å²	79	86.9 Å²	86.9	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-59.2	-44.7	174.3	-70	168.4	-174.7	0	0	111.3	Q50 M56 Q57 N58	Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.33Å; Q50-E54 PolarHBondContact NE2-OE1 3.24Å; Q50-E54 WeakPolarHBondContact O-CG 3.34Å; Q50-E54 PolarHBondContact O-N 3.22Å; E54-M56 VanDerWaalsContact C-N 3.34Å; E54-M56 PolarHBondContact O-N 3.29Å; E54-Q57 PolarHBondContact O-N 3.41Å; E54-N58 WeakPolarHBondContact O-CB 3.38Å; E54-N58 VanDerWaalsContact O-CG 3.25Å; E54-N58 PolarHBondContact O-N 3.17Å; E54-N58 PolarHBondContact O-ND2 3.05Å
55	A	67.7	Low	74.2	Confident	6 Å²	6	78.2 Å²	78.2	5%	0.05	38%	0.383	C	S	.	.	H	α-helix	trans	-60.6	-40.7	175.6	0	0	0	0	0	112.7	I5 N9 V51 R52 N53 K59	I5-A55 HydrophobicContact CG2-CB 3.97Å; N9-A55 WeakPolarHBondContact OD1-CA 3.45Å; N9-A55 VanDerWaalsContact OD1-CB 3.24Å; N9-A55 WeakPolarHBondContact OD1-CB 3.5Å; V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 3.09Å; R52-A55 PolarHBondContact O-N 3.02Å; N53-A55 PolarHBondContact O-N 3.46Å; A55-K59 WeakPolarHBondContact O-CB 3.41Å; A55-K59 PolarHBondContact O-N 3.44Å
56	M	71.6	Confident	74.7	Confident	81 Å²	81	71.7 Å²	71.7	40%	0.399	36%	0.36	S	S	.	.	H	α-helix	trans	-66.4	-43.9	176.4	-77.4	-179.8	160	0	0	112	R52 N53 E54 K59 L60	R52-M56 HydrophobicContact CG-SD 4.48Å; R52-M56 WeakPolarHBondContact O-CG 3.21Å; R52-M56 PolarHBondContact O-N 2.71Å; N53-M56 PolarHBondContact O-N 3.29Å; E54-M56 VanDerWaalsContact C-N 3.34Å; E54-M56 PolarHBondContact O-N 3.29Å; M56-K59 PolarHBondContact O-N 3.41Å; M56-L60 WeakPolarHBondContact O-CG 3.36Å; M56-L60 PolarHBondContact O-N 2.92Å
57	Q	70.5	Confident	75.1	Confident	109 Å²	109	69.5 Å²	69.5	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-44.5	176.8	-72.9	178.4	-10.9	0	0	111.7	N53 E54 K59 L60 A61	N53-Q57 WeakPolarHBondContact O-CG 3.44Å; N53-Q57 PolarHBondContact O-N 3.22Å; E54-Q57 PolarHBondContact O-N 3.41Å; Q57-K59 VanDerWaalsContact C-N 3.33Å; Q57-K59 PolarHBondContact O-N 2.97Å; Q57-L60 PolarHBondContact O-N 3.09Å; Q57-A61 WeakPolarHBondContact O-CB 3.44Å; Q57-A61 PolarHBondContact O-N 3.47Å
58	N	73.5	Confident	76.2	Confident	92 Å²	92	67.4 Å²	67.4	49%	0.492	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-41	176.5	-71	-15.6	0	0	0	111.9	E54 A61 R62	E54-N58 WeakPolarHBondContact O-CB 3.38Å; E54-N58 VanDerWaalsContact O-CG 3.25Å; E54-N58 PolarHBondContact O-N 3.17Å; E54-N58 PolarHBondContact O-ND2 3.05Å; N58-A61 PolarHBondContact O-N 2.9Å; N58-R62 PolarHBondContact O-N 2.81Å
59	K	75.8	Confident	77.4	Confident	124 Å²	124	67.4 Å²	67.4	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.3	-175.6	172.4	179.3	176.6	0	111.9	A55 M56 Q57 A61 R62 L63	A55-K59 WeakPolarHBondContact O-CB 3.41Å; A55-K59 PolarHBondContact O-N 3.44Å; M56-K59 PolarHBondContact O-N 3.41Å; Q57-K59 VanDerWaalsContact C-N 3.33Å; Q57-K59 PolarHBondContact O-N 2.97Å; K59-A61 VanDerWaalsContact C-N 3.35Å; K59-R62 PolarHBondContact O-N 3.15Å; K59-L63 HydrophobicContact CG-CD1 4.27Å; K59-L63 WeakPolarHBondContact O-CG 3.36Å; K59-L63 PolarHBondContact O-N 3.21Å
60	L	77.4	Confident	78.4	Confident	112 Å²	112	66.2 Å²	66.2	59%	0.586	35%	0.345	S	S	*	.	H	α-helix	trans	-61.2	-44.8	175.6	-73.8	171.4	0	0	0	111	M56 Q57 R62 L63 S64	M56-L60 WeakPolarHBondContact O-CG 3.36Å; M56-L60 PolarHBondContact O-N 2.92Å; Q57-L60 PolarHBondContact O-N 3.09Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.08Å; L60-L63 PolarHBondContact O-N 3.34Å; L60-S64 PolarHBondContact O-N 2.99Å; L60-S64 PolarHBondContact O-OG 3.25Å
61	A	80.1	Confident	79.4	Confident	32 Å²	32	65.5 Å²	65.5	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-40.4	178.6	0	0	0	0	0	112.2	Q57 N58 K59 S64 C65 L109	Q57-A61 WeakPolarHBondContact O-CB 3.44Å; Q57-A61 PolarHBondContact O-N 3.47Å; N58-A61 PolarHBondContact O-N 2.9Å; K59-A61 VanDerWaalsContact C-N 3.35Å; A61-S64 WeakPolarHBondContact O-CB 3.49Å; A61-S64 PolarHBondContact O-N 3.01Å; A61-C65 PolarHBondContact O-N 3.13Å; A61-C65 VanDerWaalsContact O-N 3.08Å; A61-C65 PolarHBondContact O-SG 3.36Å; A61-L109 HydrophobicContact CB-CD1 4.19Å; A61-L109 HydrophobicContact CB-CD2 3.56Å
62	R	81.9	Confident	80.4	Confident	90 Å²	90	64.3 Å²	64.3	34%	0.34	34%	0.337	S	S	.	.	H	α-helix	trans	-64.9	-45.9	173.4	-175.3	178.1	176.6	127.7	-0.9	112.4	C15 N58 K59 L60 S64 C65 E66 Y105 L109	C15-R62 PolarHBondContact SG-NH2 2.9Å; C15-R62 VanDerWaalsContact SG-NH2 3.37Å; N58-R62 PolarHBondContact O-N 2.81Å; K59-R62 PolarHBondContact O-N 3.15Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.08Å; R62-S64 VanDerWaalsContact C-N 3.26Å; R62-S64 PolarHBondContact O-N 2.92Å; R62-C65 WeakPolarHBondContact O-CB 3.42Å; R62-C65 PolarHBondContact O-N 2.94Å; R62-E66 IonicContact NE-OE1 3.44Å; R62-E66 PolarHBondContact O-N 2.99Å; R62-Y105 HydrophobicContact CG-CD2 4.28Å; R62-L109 HydrophobicContact CB-CD1 4.44Å
63	L	83.2	Confident	81.5	Confident	86 Å²	86	61.5 Å²	61.5	45%	0.45	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-34.2	176.4	-71.8	172.6	0	0	0	112	K59 L60 E66 A67	K59-L63 HydrophobicContact CG-CD1 4.27Å; K59-L63 WeakPolarHBondContact O-CG 3.36Å; K59-L63 PolarHBondContact O-N 3.21Å; L60-L63 PolarHBondContact O-N 3.34Å; L63-E66 WeakPolarHBondContact O-CB 3.23Å; L63-E66 PolarHBondContact O-N 3.26Å; L63-A67 WeakPolarHBondContact O-CB 3.38Å; L63-A67 PolarHBondContact O-N 3.19Å
64	S	86.3	Confident	82.4	Confident	68 Å²	68	59.6 Å²	59.6	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-44.9	172.6	-61.4	0	0	0	0	111.6	L60 A61 R62 E66 A67 L68	L60-S64 PolarHBondContact O-N 2.99Å; L60-S64 PolarHBondContact O-OG 3.25Å; A61-S64 WeakPolarHBondContact O-CB 3.49Å; A61-S64 PolarHBondContact O-N 3.01Å; R62-S64 VanDerWaalsContact C-N 3.26Å; R62-S64 PolarHBondContact O-N 2.92Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact O-N 3.46Å; S64-A67 PolarHBondContact O-N 3.43Å; S64-L68 WeakPolarHBondContact O-CG 3.14Å; S64-L68 PolarHBondContact O-N 3.48Å
65	C	87.7	Confident	83.3	Confident	9 Å²	9	58.1 Å²	58.1	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-42	173.9	-62.7	0	0	0	0	111.3	A61 R62 A67 L68 A69 L100 Y105	A61-C65 PolarHBondContact O-N 3.13Å; A61-C65 VanDerWaalsContact O-N 3.08Å; A61-C65 PolarHBondContact O-SG 3.36Å; R62-C65 WeakPolarHBondContact O-CB 3.42Å; R62-C65 PolarHBondContact O-N 2.94Å; C65-A67 PolarHBondContact O-N 3.35Å; C65-L68 PolarHBondContact O-N 3.47Å; C65-A69 WeakPolarHBondContact O-CB 3.28Å; C65-A69 PolarHBondContact O-N 3.17Å; C65-L100 HydrophobicContact CB-CD2 4.14Å; C65-L100 WeakPolarHBondContact O-CD2 3.23Å; C65-Y105 HydrophobicContact CB-CD1 3.58Å; C65-Y105 HydrophobicContact CB-CE1 4.2Å; C65-Y105 HydrophobicContact CB-CG 3.87Å
66	E	88.1	Confident	84.1	Confident	49 Å²	49	64.1 Å²	64.1	23%	0.229	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-38.6	176.1	-78.2	-171.9	-147.6	0	0	113.3	R62 L63 S64 S70 K75 Y105	R62-E66 IonicContact NE-OE1 3.44Å; R62-E66 PolarHBondContact O-N 2.99Å; L63-E66 WeakPolarHBondContact O-CB 3.23Å; L63-E66 PolarHBondContact O-N 3.26Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact O-N 3.46Å; E66-S70 WeakPolarHBondContact O-CB 3.24Å; E66-S70 PolarHBondContact O-N 3.23Å; E66-S70 PolarHBondContact O-OG 3.02Å; E66-K75 VanDerWaalsContact CB-NZ 3.31Å; E66-K75 VanDerWaalsContact CG-NZ 3.34Å; E66-K75 WeakPolarHBondContact O-CE 3.46Å; E66-K75 IonicContact OE2-NZ 3.45Å; E66-K75 PolarHBondContact OE2-NZ 3.32Å; E66-Y105 HydrophobicContact CB-CE2 4.43Å; E66-Y105 HydrophobicContact CG-CD2 3.86Å; E66-Y105 HydrophobicContact CG-CE2 3.21Å
67	A	86.8	Confident	84.8	Confident	59 Å²	59	64.4 Å²	64.4	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-67.8	-43.1	175.5	0	0	0	0	0	111.5	L63 S64 C65 S70 L71	L63-A67 WeakPolarHBondContact O-CB 3.38Å; L63-A67 PolarHBondContact O-N 3.19Å; S64-A67 PolarHBondContact O-N 3.43Å; C65-A67 PolarHBondContact O-N 3.35Å; A67-S70 WeakPolarHBondContact O-CB 3.42Å; A67-S70 PolarHBondContact O-N 2.81Å; A67-L71 PolarHBondContact O-N 3.42Å
68	L	89.3	Confident	85.6	Confident	56 Å²	56	61.5 Å²	61.5	29%	0.293	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-46.7	174.8	-67.2	172.1	0	0	0	111.3	S64 C65 S70 L71 A72 F88 L92 L100	S64-L68 WeakPolarHBondContact O-CG 3.14Å; S64-L68 PolarHBondContact O-N 3.48Å; C65-L68 PolarHBondContact O-N 3.47Å; L68-S70 VanDerWaalsContact C-N 3.26Å; L68-S70 PolarHBondContact O-N 2.7Å; L68-L71 PolarHBondContact O-N 2.96Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L68-A72 PolarHBondContact O-N 3.33Å; L68-F88 HydrophobicContact CB-CE2 4.19Å; L68-F88 HydrophobicContact CB-CZ 4.18Å; L68-F88 HydrophobicContact CD2-CD1 4.47Å; L68-F88 HydrophobicContact CD2-CE1 3.59Å; L68-F88 HydrophobicContact CD2-CE2 4.24Å; L68-F88 HydrophobicContact CD2-CZ 3.43Å; L68-F88 VanDerWaalsContact CD2-CZ 3.43Å; L68-F88 HydrophobicContact CG-CZ 4.4Å; L68-F88 WeakPolarHBondContact O-CE2 3.47Å; L68-L92 HydrophobicContact CD1-CD1 4.14Å; L68-L100 HydrophobicContact CB-CD1 4.23Å; L68-L100 HydrophobicContact CB-CD2 4.21Å
69	A	91	Very high	86.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-37.1	175.9	0	0	0	0	0	112.1	C65 G73 F74 K75 Y105	C65-A69 WeakPolarHBondContact O-CB 3.28Å; C65-A69 PolarHBondContact O-N 3.17Å; A69-G73 PolarHBondContact O-N 2.95Å; A69-F74 HydrophobicContact CB-CB 4.43Å; A69-F74 PolarHBondContact O-N 3.34Å; A69-K75 HydrophobicContact CB-CG 4.19Å; A69-Y105 HydrophobicContact CB-CE1 4.19Å
70	S	90.2	Very high	87	Confident	41 Å²	41	63.8 Å²	63.8	29%	0.287	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-40.6	174.4	-52	0	0	0	0	111.8	E66 A67 L68 G73 K75 C78	E66-S70 WeakPolarHBondContact O-CB 3.24Å; E66-S70 PolarHBondContact O-N 3.23Å; E66-S70 PolarHBondContact O-OG 3.02Å; A67-S70 WeakPolarHBondContact O-CB 3.42Å; A67-S70 PolarHBondContact O-N 2.81Å; L68-S70 VanDerWaalsContact C-N 3.26Å; L68-S70 PolarHBondContact O-N 2.7Å; S70-G73 PolarHBondContact O-N 2.93Å; S70-G73 VanDerWaalsContact O-N 3.16Å; S70-K75 WeakPolarHBondContact OG-CD 3.38Å; S70-C78 WeakPolarHBondContact O-CB 3.36Å
71	L	89.9	Confident	87.6	Confident	98 Å²	98	61 Å²	61	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-66.7	-37.6	179.6	-172	66	0	0	0	112.6	A67 L68 G73 N81 A84 F88	A67-L71 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 2.96Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L71-G73 PolarHBondContact O-N 3.31Å; L71-N81 WeakPolarHBondContact O-CB 3.42Å; L71-N81 PolarHBondContact O-ND2 3.49Å; L71-N81 VanDerWaalsContact O-ND2 3.1Å; L71-A84 HydrophobicContact CD2-CB 4.38Å; L71-A84 HydrophobicContact CG-CB 4.06Å; L71-F88 HydrophobicContact CB-CZ 4.27Å; L71-F88 HydrophobicContact CD2-CE1 4.46Å; L71-F88 HydrophobicContact CD2-CZ 3.8Å; L71-F88 HydrophobicContact CG-CZ 4.35Å
72	A	89.5	Confident	88.1	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.017	40%	0.395	C	S	.	.	H	α-helix	trans	-70.5	-17.7	174.2	0	0	0	0	0	113.3	L68 F74 N81 V85 F88	L68-A72 PolarHBondContact O-N 3.33Å; A72-F74 HydrophobicContact CB-CD1 4.35Å; A72-F74 HydrophobicContact CB-CD2 3.56Å; A72-F74 HydrophobicContact CB-CE1 4.3Å; A72-F74 HydrophobicContact CB-CE2 3.51Å; A72-F74 HydrophobicContact CB-CG 4Å; A72-F74 HydrophobicContact CB-CZ 3.91Å; A72-N81 PolarHBondContact O-N 3.43Å; A72-N81 VanDerWaalsContact O-N 3.07Å; A72-V85 HydrophobicContact CB-CG2 3.88Å; A72-F88 HydrophobicContact CB-CD2 4.07Å; A72-F88 HydrophobicContact CB-CE2 3.87Å
73	G	90.7	Very high	88.3	Confident	15 Å²	15	67 Å²	67	16%	0.155	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	18	-175.1	0	0	0	0	0	114.5	A69 S70 L71 L79	A69-G73 PolarHBondContact O-N 2.95Å; S70-G73 PolarHBondContact O-N 2.93Å; S70-G73 VanDerWaalsContact O-N 3.16Å; L71-G73 PolarHBondContact O-N 3.31Å; G73-L79 WeakPolarHBondContact CA-O 3.34Å
74	F	90.3	Very high	88.5	Confident	43 Å²	43	63.4 Å²	63.4	19%	0.189	40%	0.395	C	S	.	.			trans	-82.6	-19	-179.6	-60.1	-34.9	0	0	0	113.9	A69 A72 V85 L100 E101	A69-F74 HydrophobicContact CB-CB 4.43Å; A69-F74 PolarHBondContact O-N 3.34Å; A72-F74 HydrophobicContact CB-CD1 4.35Å; A72-F74 HydrophobicContact CB-CD2 3.56Å; A72-F74 HydrophobicContact CB-CE1 4.3Å; A72-F74 HydrophobicContact CB-CE2 3.51Å; A72-F74 HydrophobicContact CB-CG 4Å; A72-F74 HydrophobicContact CB-CZ 3.91Å; F74-V85 HydrophobicContact CE1-CG2 3.99Å; F74-V85 HydrophobicContact CZ-CG1 4.39Å; F74-V85 HydrophobicContact CZ-CG2 3.71Å; F74-L100 HydrophobicContact CD2-CB 4.1Å; F74-L100 HydrophobicContact CE2-CB 4.21Å; F74-E101 HydrophobicContact CD1-CB 4.04Å; F74-E101 HydrophobicContact CD1-CG 3.76Å; F74-E101 HydrophobicContact CD2-CB 3.88Å; F74-E101 HydrophobicContact CD2-CG 4.48Å; F74-E101 HydrophobicContact CE1-CB 4.11Å; F74-E101 HydrophobicContact CE1-CG 3.97Å; F74-E101 HydrophobicContact CE2-CB 3.94Å; F74-E101 HydrophobicContact CG-CB 3.93Å; F74-E101 HydrophobicContact CG-CG 4.04Å; F74-E101 HydrophobicContact CZ-CB 4.06Å; F74-E101 HydrophobicContact CZ-CG 4.41Å
75	K	87.8	Confident	88.6	Confident	49 Å²	49	61.9 Å²	61.9	21%	0.213	38%	0.382	C	S	.	.	S	Bend	trans	-82.7	144	175.2	-74.2	-152.6	-178.8	-178	0	111.7	E66 A69 S70 G77 C78 Y105	E66-K75 VanDerWaalsContact CB-NZ 3.31Å; E66-K75 VanDerWaalsContact CG-NZ 3.34Å; E66-K75 WeakPolarHBondContact O-CE 3.46Å; E66-K75 IonicContact OE2-NZ 3.45Å; E66-K75 PolarHBondContact OE2-NZ 3.32Å; A69-K75 HydrophobicContact CB-CG 4.19Å; S70-K75 WeakPolarHBondContact OG-CD 3.38Å; K75-G77 PolarHBondContact O-N 3.11Å; K75-C78 WeakPolarHBondContact O-CB 3.39Å; K75-C78 PolarHBondContact O-N 3.37Å; K75-C78 VanDerWaalsContact O-N 3.13Å; K75-Y105 WeakPolarHBondContact CE-OH 3.4Å
76	P	83.5	Confident	88.7	Confident	131 Å²	131	64.1 Å²	64.1	85%	0.851	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.1	173.7	-25.5	33.7	0	0	0	112.1
77	G	86.6	Confident	88.7	Confident	87 Å²	87	62.3 Å²	62.3	90%	0.897	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-7.6	179.6	0	0	0	0	0	115.4	K75	K75-G77 PolarHBondContact O-N 3.11Å
78	C	87.9	Confident	88.8	Confident	48 Å²	48	60.4 Å²	60.4	32%	0.324	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-89.1	145.6	172.2	-61	0	0	0	0	110.7	S70 K75	S70-C78 WeakPolarHBondContact O-CB 3.36Å; K75-C78 WeakPolarHBondContact O-CB 3.39Å; K75-C78 PolarHBondContact O-N 3.37Å; K75-C78 VanDerWaalsContact O-N 3.13Å
79	L	88.9	Confident	88.9	Confident	156 Å²	156	59.8 Å²	59.8	82%	0.817	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-77.7	138.6	173.4	-68.8	169.1	0	0	0	109.8	G73 N81	G73-L79 WeakPolarHBondContact CA-O 3.34Å; L79-N81 PolarHBondContact O-N 3.46Å
80	P	89.5	Confident	88.8	Confident	108 Å²	108	63.3 Å²	63.3	70%	0.701	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-54.8	132.3	174.5	-26	34.4	0	0	0	112
81	N	89.5	Confident	88.8	Confident	54 Å²	54	62.2 Å²	62.2	29%	0.289	38%	0.377	S	S	.	.			trans	-126.7	86	-177.9	-174.5	-7.1	0	0	0	111.1	L71 A72 L79 V83 A84 V85	L71-N81 WeakPolarHBondContact O-CB 3.42Å; L71-N81 PolarHBondContact O-ND2 3.49Å; L71-N81 VanDerWaalsContact O-ND2 3.1Å; A72-N81 PolarHBondContact O-N 3.43Å; A72-N81 VanDerWaalsContact O-N 3.07Å; L79-N81 PolarHBondContact O-N 3.46Å; N81-V83 PolarHBondContact O-N 3.07Å; N81-V83 PolarHBondContact OD1-N 3.24Å; N81-A84 HydrophobicContact CB-CB 4.11Å; N81-A84 PolarHBondContact O-N 2.9Å; N81-A84 VanDerWaalsContact O-N 3.12Å; N81-A84 PolarHBondContact OD1-N 3.14Å; N81-V85 WeakPolarHBondContact O-CG2 3.32Å; N81-V85 PolarHBondContact O-N 3.13Å
82	N	90.7	Very high	88.7	Confident	131 Å²	131	58.7 Å²	58.7	70%	0.701	36%	0.359	S	S	*	.	H	α-helix	trans	-61.6	-26.7	-176.6	-65.5	-16.6	0	0	0	113.4	S86	N82-S86 VanDerWaalsContact O-CB 3.28Å; N82-S86 WeakPolarHBondContact O-CB 3.38Å; N82-S86 PolarHBondContact O-N 3.4Å
83	V	87.3	Confident	88.7	Confident	118 Å²	118	58.8 Å²	58.8	72%	0.715	36%	0.359	S	S	*	.	H	α-helix	trans	-67.7	-47.2	176.2	-178.4	0	0	0	0	109.9	N81 S86 A87	N81-V83 PolarHBondContact O-N 3.07Å; N81-V83 PolarHBondContact OD1-N 3.24Å; V83-S86 PolarHBondContact O-N 3.2Å; V83-A87 WeakPolarHBondContact O-CB 3.29Å; V83-A87 PolarHBondContact O-N 3.04Å
84	A	86.4	Confident	88.7	Confident	9 Å²	9	60.6 Å²	60.6	7%	0.074	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-43	175.2	0	0	0	0	0	111.8	L71 N81 S86 A87 F88	L71-A84 HydrophobicContact CD2-CB 4.38Å; L71-A84 HydrophobicContact CG-CB 4.06Å; N81-A84 HydrophobicContact CB-CB 4.11Å; N81-A84 PolarHBondContact O-N 2.9Å; N81-A84 VanDerWaalsContact O-N 3.12Å; N81-A84 PolarHBondContact OD1-N 3.14Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 3.23Å; A84-A87 PolarHBondContact O-N 2.97Å; A84-F88 HydrophobicContact CB-CE2 4.12Å; A84-F88 HydrophobicContact CB-CZ 4.25Å; A84-F88 WeakPolarHBondContact O-CB 3.19Å; A84-F88 WeakPolarHBondContact O-CD2 3.17Å; A84-F88 WeakPolarHBondContact O-CG 3.33Å; A84-F88 PolarHBondContact O-N 3.14Å
85	V	89.5	Confident	88.8	Confident	36 Å²	36	60.2 Å²	60.2	22%	0.218	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-44.8	175.8	176.6	0	0	0	0	111.1	A72 F74 N81 F88 T89	A72-V85 HydrophobicContact CB-CG2 3.88Å; F74-V85 HydrophobicContact CE1-CG2 3.99Å; F74-V85 HydrophobicContact CZ-CG1 4.39Å; F74-V85 HydrophobicContact CZ-CG2 3.71Å; N81-V85 WeakPolarHBondContact O-CG2 3.32Å; N81-V85 PolarHBondContact O-N 3.13Å; V85-F88 PolarHBondContact O-N 3.26Å; V85-T89 WeakPolarHBondContact O-CB 3.45Å; V85-T89 PolarHBondContact O-N 3.08Å; V85-T89 PolarHBondContact O-OG1 3.33Å
86	S	89	Confident	89	Confident	57 Å²	57	57.9 Å²	57.9	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-45.2	176.7	-176.3	0	0	0	0	111.8	N82 V83 A84 T89 K90	N82-S86 VanDerWaalsContact O-CB 3.28Å; N82-S86 WeakPolarHBondContact O-CB 3.38Å; N82-S86 PolarHBondContact O-N 3.4Å; V83-S86 PolarHBondContact O-N 3.2Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 3.23Å; S86-T89 PolarHBondContact O-N 2.99Å; S86-K90 WeakPolarHBondContact O-CG 3.31Å; S86-K90 PolarHBondContact O-N 3.09Å
87	A	87.8	Confident	89.4	Confident	10 Å²	10	52 Å²	52	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-49	176.6	0	0	0	0	0	111.7	V83 A84 T89 K90 L91 D150	V83-A87 WeakPolarHBondContact O-CB 3.29Å; V83-A87 PolarHBondContact O-N 3.04Å; A84-A87 PolarHBondContact O-N 2.97Å; A87-T89 VanDerWaalsContact C-N 3.29Å; A87-T89 PolarHBondContact O-N 3.39Å; A87-K90 PolarHBondContact O-N 3.09Å; A87-K90 VanDerWaalsContact O-N 3.11Å; A87-L91 WeakPolarHBondContact O-CG 3.42Å; A87-L91 PolarHBondContact O-N 3.34Å; A87-D150 HydrophobicContact CB-CB 3.66Å
88	F	90.3	Very high	89.7	Confident	19 Å²	19	49.3 Å²	49.3	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-36.4	178.6	-61.1	-19.7	0	0	0	112.2	L68 L71 A72 A84 V85 K90 L91 L92 C97	L68-F88 HydrophobicContact CB-CE2 4.19Å; L68-F88 HydrophobicContact CB-CZ 4.18Å; L68-F88 HydrophobicContact CD2-CD1 4.47Å; L68-F88 HydrophobicContact CD2-CE1 3.59Å; L68-F88 HydrophobicContact CD2-CE2 4.24Å; L68-F88 HydrophobicContact CD2-CZ 3.43Å; L68-F88 VanDerWaalsContact CD2-CZ 3.43Å; L68-F88 HydrophobicContact CG-CZ 4.4Å; L68-F88 WeakPolarHBondContact O-CE2 3.47Å; L71-F88 HydrophobicContact CB-CZ 4.27Å; L71-F88 HydrophobicContact CD2-CE1 4.46Å; L71-F88 HydrophobicContact CD2-CZ 3.8Å; L71-F88 HydrophobicContact CG-CZ 4.35Å; A72-F88 HydrophobicContact CB-CD2 4.07Å; A72-F88 HydrophobicContact CB-CE2 3.87Å; A84-F88 HydrophobicContact CB-CE2 4.12Å; A84-F88 HydrophobicContact CB-CZ 4.25Å; A84-F88 WeakPolarHBondContact O-CB 3.19Å; A84-F88 WeakPolarHBondContact O-CD2 3.17Å; A84-F88 WeakPolarHBondContact O-CG 3.33Å; A84-F88 PolarHBondContact O-N 3.14Å; V85-F88 PolarHBondContact O-N 3.26Å; F88-K90 PolarHBondContact O-N 3.33Å; F88-L91 PolarHBondContact O-N 3.27Å; F88-L92 HydrophobicContact CB-CD1 4.49Å; F88-L92 WeakPolarHBondContact O-CA 3.41Å; F88-L92 WeakPolarHBondContact O-CB 3.12Å; F88-L92 PolarHBondContact O-N 2.85Å; F88-C97 WeakPolarHBondContact CB-SG 3.39Å; F88-C97 PolarHBondContact O-SG 3.39Å; F88-C97 VanDerWaalsContact O-SG 3.4Å
89	T	90.7	Very high	89.9	Confident	44 Å²	44	47.9 Å²	47.9	27%	0.27	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-33.4	177.3	-59.3	0	0	0	0	111.3	V85 S86 A87 T93 P94 C97	V85-T89 WeakPolarHBondContact O-CB 3.45Å; V85-T89 PolarHBondContact O-N 3.08Å; V85-T89 PolarHBondContact O-OG1 3.33Å; S86-T89 PolarHBondContact O-N 2.99Å; A87-T89 VanDerWaalsContact C-N 3.29Å; A87-T89 PolarHBondContact O-N 3.39Å; T89-T93 CarbonylContact O-C 3.59Å; T89-T93 WeakPolarHBondContact O-CA 3.47Å; T89-T93 PolarHBondContact O-N 3.41Å; T89-P94 HydrophobicContact CG2-CB 4.13Å; T89-P94 HydrophobicContact CG2-CG 3.71Å; T89-C97 VanDerWaalsContact CA-SG 3.55Å; T89-C97 PolarHBondContact N-SG 3.1Å
90	K	89.2	Confident	90	Very high	74 Å²	74	40.5 Å²	40.5	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-80.3	-45.6	175.7	-62.6	-51.6	-169.2	176.2	0	112.8	S86 A87 F88 R154	S86-K90 WeakPolarHBondContact O-CG 3.31Å; S86-K90 PolarHBondContact O-N 3.09Å; A87-K90 PolarHBondContact O-N 3.09Å; A87-K90 VanDerWaalsContact O-N 3.11Å; F88-K90 PolarHBondContact O-N 3.33Å; K90-R154 VanDerWaalsContact CE-CZ 3.47Å; K90-R154 VanDerWaalsContact CE-NH1 3.26Å
91	L	89.9	Confident	90.1	Very high	18 Å²	18	40.2 Å²	40.2	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-77.4	-38	-175.4	-68.9	172.5	0	0	0	113.8	A87 F88 L131 Y134 D150 F153 F155	A87-L91 WeakPolarHBondContact O-CG 3.42Å; A87-L91 PolarHBondContact O-N 3.34Å; F88-L91 PolarHBondContact O-N 3.27Å; L91-L131 HydrophobicContact CB-CD1 4.1Å; L91-L131 HydrophobicContact CD2-CD1 3.98Å; L91-L131 WeakPolarHBondContact O-CD1 3.45Å; L91-Y134 HydrophobicContact CD2-CD1 3.7Å; L91-Y134 HydrophobicContact CD2-CE1 3.63Å; L91-D150 HydrophobicContact CD1-CB 3.98Å; L91-F153 HydrophobicContact CD2-CB 3.83Å; L91-F153 HydrophobicContact CD2-CD1 3.78Å; L91-F153 HydrophobicContact CD2-CD2 4.12Å; L91-F153 HydrophobicContact CD2-CE1 4.39Å; L91-F153 HydrophobicContact CD2-CG 3.62Å; L91-F155 VanDerWaalsContact O-CZ 3.28Å; L91-F155 WeakPolarHBondContact O-CZ 3.02Å
92	L	88.6	Confident	90.2	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.12	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-2.4	-173.8	-57.9	179.1	0	0	0	113.1	L68 F88 I96 L100 L131	L68-L92 HydrophobicContact CD1-CD1 4.14Å; F88-L92 HydrophobicContact CB-CD1 4.49Å; F88-L92 WeakPolarHBondContact O-CA 3.41Å; F88-L92 WeakPolarHBondContact O-CB 3.12Å; F88-L92 PolarHBondContact O-N 2.85Å; L92-I96 HydrophobicContact CB-CB 3.99Å; L92-I96 HydrophobicContact CB-CG2 3.91Å; L92-I96 HydrophobicContact CD1-CG2 4.25Å; L92-I96 WeakPolarHBondContact O-CB 3.35Å; L92-I96 WeakPolarHBondContact O-CG1 3.24Å; L92-L100 HydrophobicContact CD1-CD1 4.14Å; L92-L131 HydrophobicContact CD2-CD2 3.91Å
93	T	89.3	Confident	90.1	Very high	4 Å²	4	39 Å²	39	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	73	156	-169.7	80.2	0	0	0	0	113.8	T89 Y95 I96 C97 F121 M127 F155 L158	T89-T93 CarbonylContact O-C 3.59Å; T89-T93 WeakPolarHBondContact O-CA 3.47Å; T89-T93 PolarHBondContact O-N 3.41Å; T93-Y95 VanDerWaalsContact C-N 3.29Å; T93-Y95 PolarHBondContact O-N 3.24Å; T93-I96 PolarHBondContact O-N 3.38Å; T93-C97 PolarHBondContact O-N 2.9Å; T93-C97 PolarHBondContact O-SG 3.38Å; T93-C97 VanDerWaalsContact O-SG 3.41Å; T93-F121 HydrophobicContact CG2-CE2 4.4Å; T93-F121 WeakPolarHBondContact OG1-CD2 3.48Å; T93-F121 WeakPolarHBondContact OG1-CE2 3.26Å; T93-M127 HydrophobicContact CG2-CE 4.43Å; T93-F155 HydrophobicContact CG2-CE2 4.1Å; T93-L158 HydrophobicContact CG2-CD1 4.48Å
94	P	90.5	Very high	90.2	Very high	54 Å²	54	35.3 Å²	35.3	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-56.7	-38.2	176.8	-22.2	29.4	0	0	0	113.8	T89 I96 C97 D98	T89-P94 HydrophobicContact CG2-CB 4.13Å; T89-P94 HydrophobicContact CG2-CG 3.71Å; P94-I96 PolarHBondContact O-N 3.47Å; P94-C97 WeakPolarHBondContact O-CB 3.48Å; P94-C97 PolarHBondContact O-N 2.86Å; P94-D98 PolarHBondContact O-N 3.46Å
95	Y	92.5	Very high	90.3	Very high	34 Å²	34	35.5 Å²	35.5	13%	0.133	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-41.4	-177.5	178.1	-100.7	0	0	0	113	T93 C97 D98 L99 Q111 R120 F121	T93-Y95 VanDerWaalsContact C-N 3.29Å; T93-Y95 PolarHBondContact O-N 3.24Å; Y95-C97 VanDerWaalsContact C-N 3.31Å; Y95-D98 WeakPolarHBondContact O-CB 3.31Å; Y95-D98 PolarHBondContact O-N 3.3Å; Y95-L99 HydrophobicContact CD1-CD1 4.16Å; Y95-L99 HydrophobicContact CE1-CD1 3.6Å; Y95-L99 HydrophobicContact CE1-CG 4.25Å; Y95-L99 PolarHBondContact O-N 3.27Å; Y95-Q111 HydrophobicContact CE1-CG 4.29Å; Y95-R120 WeakPolarHBondContact CB-O 3.43Å; Y95-R120 HydrophobicContact CD2-CB 4.22Å; Y95-F121 HydrophobicContact CD1-CB 3.57Å; Y95-F121 AromaticContact CD1-CD1 3.97Å; Y95-F121 HydrophobicContact CD1-CD1 3.97Å; Y95-F121 AromaticContact CD1-CD2 3.74Å; Y95-F121 HydrophobicContact CD1-CD2 3.74Å; Y95-F121 HydrophobicContact CD1-CE2 4.39Å; Y95-F121 AromaticContact CD1-CG 3.49Å; Y95-F121 HydrophobicContact CD1-CG 3.49Å; Y95-F121 VanDerWaalsContact CD1-CG 3.49Å; Y95-F121 HydrophobicContact CD2-CB 4.35Å; Y95-F121 HydrophobicContact CE1-CB 4.12Å; Y95-F121 HydrophobicContact CE1-CD1 4.14Å; Y95-F121 HydrophobicContact CE1-CG 4.08Å; Y95-F121 HydrophobicContact CG-CB 3.7Å; Y95-F121 HydrophobicContact CG-CD2 4.22Å; Y95-F121 HydrophobicContact CG-CG 4.06Å
96	I	91.9	Very high	90.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-32.3	177	-59.4	-61.5	0	0	0	111.1	L92 T93 P94 L99 L100 I108 Q111 L112 F121	L92-I96 HydrophobicContact CB-CB 3.99Å; L92-I96 HydrophobicContact CB-CG2 3.91Å; L92-I96 HydrophobicContact CD1-CG2 4.25Å; L92-I96 WeakPolarHBondContact O-CB 3.35Å; L92-I96 WeakPolarHBondContact O-CG1 3.24Å; T93-I96 PolarHBondContact O-N 3.38Å; P94-I96 PolarHBondContact O-N 3.47Å; I96-L99 HydrophobicContact CD1-CD1 4.25Å; I96-L99 PolarHBondContact O-N 3.01Å; I96-L100 WeakPolarHBondContact O-CG 3.13Å; I96-L100 PolarHBondContact O-N 2.98Å; I96-I108 HydrophobicContact CG2-CG1 4.42Å; I96-I108 HydrophobicContact CG2-CG2 3.9Å; I96-Q111 HydrophobicContact CD1-CB 4.32Å; I96-L112 HydrophobicContact CD1-CD2 4.21Å; I96-L112 HydrophobicContact CD1-CG 4.31Å; I96-L112 HydrophobicContact CG1-CD2 4.23Å; I96-F121 HydrophobicContact CD1-CE1 4.48Å; I96-F121 HydrophobicContact CD1-CE2 3.9Å; I96-F121 HydrophobicContact CD1-CZ 3.8Å; I96-F121 HydrophobicContact CG1-CD2 4.47Å; I96-F121 HydrophobicContact CG1-CE2 3.72Å; I96-F121 HydrophobicContact CG1-CZ 4.08Å
97	C	91.9	Very high	90	Very high	7 Å²	7	37.8 Å²	37.8	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-41.6	173.9	-65.5	0	0	0	0	112.1	F88 T89 T93 P94 Y95 L99 L100 E101	F88-C97 WeakPolarHBondContact CB-SG 3.39Å; F88-C97 PolarHBondContact O-SG 3.39Å; F88-C97 VanDerWaalsContact O-SG 3.4Å; T89-C97 VanDerWaalsContact CA-SG 3.55Å; T89-C97 PolarHBondContact N-SG 3.1Å; T93-C97 PolarHBondContact O-N 2.9Å; T93-C97 PolarHBondContact O-SG 3.38Å; T93-C97 VanDerWaalsContact O-SG 3.41Å; P94-C97 WeakPolarHBondContact O-CB 3.48Å; P94-C97 PolarHBondContact O-N 2.86Å; Y95-C97 VanDerWaalsContact C-N 3.31Å; C97-L99 VanDerWaalsContact C-N 3.31Å; C97-L99 PolarHBondContact O-N 2.66Å; C97-L100 WeakPolarHBondContact O-CB 3.45Å; C97-L100 PolarHBondContact O-N 2.87Å; C97-E101 PolarHBondContact O-N 3.19Å
98	D	91.7	Very high	89.9	Confident	31 Å²	31	37.5 Å²	37.5	17%	0.166	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-40.4	172.7	-75.6	-12.4	0	0	0	112.1	P94 Y95 L100 E101 T102 R120 K181	P94-D98 PolarHBondContact O-N 3.46Å; Y95-D98 WeakPolarHBondContact O-CB 3.31Å; Y95-D98 PolarHBondContact O-N 3.3Å; D98-L100 VanDerWaalsContact C-N 3.34Å; D98-E101 PolarHBondContact O-N 2.91Å; D98-T102 WeakPolarHBondContact O-CG2 3.35Å; D98-T102 PolarHBondContact O-N 3.18Å; D98-T102 PolarHBondContact O-OG1 2.95Å; D98-R120 IonicContact OD2-CZ 3.7Å; D98-R120 IonicContact OD2-NH1 3.38Å; D98-R120 PolarHBondContact OD2-NH1 2.9Å; D98-R120 IonicContact OD2-NH2 3.7Å; D98-R120 PolarHBondContact OD2-NH2 3.4Å; D98-K181 IonicContact OD1-NZ 3.47Å; D98-K181 PolarHBondContact OD1-NZ 3.07Å; D98-K181 WeakPolarHBondContact OD2-CD 3.46Å; D98-K181 IonicContact OD2-NZ 3.91Å; D98-K181 PolarHBondContact OD2-NZ 3.18Å
99	L	92.2	Very high	89.7	Confident	18 Å²	18	39.5 Å²	39.5	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-33.8	176.8	-66.7	-178.4	0	0	0	112.2	Y95 I96 C97 T102 N103 S104 E107 I108	Y95-L99 HydrophobicContact CD1-CD1 4.16Å; Y95-L99 HydrophobicContact CE1-CD1 3.6Å; Y95-L99 HydrophobicContact CE1-CG 4.25Å; Y95-L99 PolarHBondContact O-N 3.27Å; I96-L99 HydrophobicContact CD1-CD1 4.25Å; I96-L99 PolarHBondContact O-N 3.01Å; C97-L99 VanDerWaalsContact C-N 3.31Å; C97-L99 PolarHBondContact O-N 2.66Å; L99-T102 WeakPolarHBondContact CA-OG1 3.46Å; L99-T102 PolarHBondContact O-OG1 3.07Å; L99-N103 PolarHBondContact O-N 2.91Å; L99-S104 PolarHBondContact O-N 3.26Å; L99-E107 HydrophobicContact CD1-CB 4.24Å; L99-E107 HydrophobicContact CD1-CG 3.95Å; L99-E107 HydrophobicContact CD2-CG 4.34Å; L99-I108 HydrophobicContact CB-CD1 3.91Å; L99-I108 HydrophobicContact CB-CG1 3.45Å; L99-I108 VanDerWaalsContact CB-CG1 3.45Å; L99-I108 HydrophobicContact CD1-CG1 3.96Å; L99-I108 HydrophobicContact CG-CG1 4.38Å
100	L	91.5	Very high	89.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-44.1	172.6	-75.1	170.7	0	0	0	110.8	C65 L68 F74 L92 I96 C97 D98 T102 N103 Y105 I108	C65-L100 HydrophobicContact CB-CD2 4.14Å; C65-L100 WeakPolarHBondContact O-CD2 3.23Å; L68-L100 HydrophobicContact CB-CD1 4.23Å; L68-L100 HydrophobicContact CB-CD2 4.21Å; F74-L100 HydrophobicContact CD2-CB 4.1Å; F74-L100 HydrophobicContact CE2-CB 4.21Å; L92-L100 HydrophobicContact CD1-CD1 4.14Å; I96-L100 WeakPolarHBondContact O-CG 3.13Å; I96-L100 PolarHBondContact O-N 2.98Å; C97-L100 WeakPolarHBondContact O-CB 3.45Å; C97-L100 PolarHBondContact O-N 2.87Å; D98-L100 VanDerWaalsContact C-N 3.34Å; L100-T102 PolarHBondContact O-N 3.47Å; L100-N103 PolarHBondContact O-N 3.49Å; L100-N103 VanDerWaalsContact O-N 3.15Å; L100-Y105 HydrophobicContact CD2-CE1 4.47Å; L100-I108 HydrophobicContact CB-CD1 4.41Å; L100-I108 HydrophobicContact CD2-CD1 3.5Å; L100-I108 HydrophobicContact CG-CD1 3.69Å
101	E	92.2	Very high	89.3	Confident	103 Å²	103	40.3 Å²	40.3	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-41.6	178.6	-172.5	176.6	-170.3	0	0	112	F74 C97 D98 N103	F74-E101 HydrophobicContact CD1-CB 4.04Å; F74-E101 HydrophobicContact CD1-CG 3.76Å; F74-E101 HydrophobicContact CD2-CB 3.88Å; F74-E101 HydrophobicContact CD2-CG 4.48Å; F74-E101 HydrophobicContact CE1-CB 4.11Å; F74-E101 HydrophobicContact CE1-CG 3.97Å; F74-E101 HydrophobicContact CE2-CB 3.94Å; F74-E101 HydrophobicContact CG-CB 3.93Å; F74-E101 HydrophobicContact CG-CG 4.04Å; F74-E101 HydrophobicContact CZ-CB 4.06Å; F74-E101 HydrophobicContact CZ-CG 4.41Å; C97-E101 PolarHBondContact O-N 3.19Å; D98-E101 PolarHBondContact O-N 2.91Å; E101-N103 PolarHBondContact O-N 2.84Å
102	T	91.2	Very high	89.1	Confident	87 Å²	87	41.3 Å²	41.3	53%	0.534	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.9	177	57.6	0	0	0	0	114.1	D98 L99 L100 S104	D98-T102 WeakPolarHBondContact O-CG2 3.35Å; D98-T102 PolarHBondContact O-N 3.18Å; D98-T102 PolarHBondContact O-OG1 2.95Å; L99-T102 WeakPolarHBondContact CA-OG1 3.46Å; L99-T102 PolarHBondContact O-OG1 3.07Å; L100-T102 PolarHBondContact O-N 3.47Å; T102-S104 PolarHBondContact O-N 3.38Å; T102-S104 PolarHBondContact OG1-OG 2.7Å
103	N	88.5	Confident	88.7	Confident	72 Å²	72	42.6 Å²	42.6	39%	0.385	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	28.1	-176.7	-56.4	-72.7	0	0	0	114.5	L99 L100 E101 Y105	L99-N103 PolarHBondContact O-N 2.91Å; L100-N103 PolarHBondContact O-N 3.49Å; L100-N103 VanDerWaalsContact O-N 3.15Å; E101-N103 PolarHBondContact O-N 2.84Å; N103-Y105 HydrophobicContact CB-CE1 4.22Å; N103-Y105 HydrophobicContact CB-CE2 4.33Å; N103-Y105 PolarHBondContact O-N 3Å; N103-Y105 PolarHBondContact OD1-OH 3.45Å
104	S	89.8	Confident	88.4	Confident	41 Å²	41	46.9 Å²	46.9	29%	0.287	26%	0.264	S	S	.	.			trans	-83.9	50.9	-177.1	-61	0	0	0	0	112.4	L99 T102 S106 E107 I108	L99-S104 PolarHBondContact O-N 3.26Å; T102-S104 PolarHBondContact O-N 3.38Å; T102-S104 PolarHBondContact OG1-OG 2.7Å; S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.91Å; S104-E107 WeakPolarHBondContact O-CB 3.37Å; S104-E107 PolarHBondContact O-N 2.6Å; S104-I108 PolarHBondContact O-N 2.91Å
105	Y	88.1	Confident	88.4	Confident	13 Å²	13	50.8 Å²	50.8	5%	0.051	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-33	-167.9	-47.9	-42.5	0	0	0	114.6	R62 C65 E66 A69 K75 L100 N103 E107 I108 L109	R62-Y105 HydrophobicContact CG-CD2 4.28Å; C65-Y105 HydrophobicContact CB-CD1 3.58Å; C65-Y105 HydrophobicContact CB-CE1 4.2Å; C65-Y105 HydrophobicContact CB-CG 3.87Å; E66-Y105 HydrophobicContact CB-CE2 4.43Å; E66-Y105 HydrophobicContact CG-CD2 3.86Å; E66-Y105 HydrophobicContact CG-CE2 3.21Å; A69-Y105 HydrophobicContact CB-CE1 4.19Å; K75-Y105 WeakPolarHBondContact CE-OH 3.4Å; L100-Y105 HydrophobicContact CD2-CE1 4.47Å; N103-Y105 HydrophobicContact CB-CE1 4.22Å; N103-Y105 HydrophobicContact CB-CE2 4.33Å; N103-Y105 PolarHBondContact O-N 3Å; N103-Y105 PolarHBondContact OD1-OH 3.45Å; Y105-E107 VanDerWaalsContact C-N 3.26Å; Y105-E107 PolarHBondContact O-N 2.95Å; Y105-I108 HydrophobicContact CD1-CD1 4.15Å; Y105-I108 PolarHBondContact O-N 3.14Å; Y105-L109 WeakPolarHBondContact O-CG 3.48Å; Y105-L109 PolarHBondContact O-N 3.45Å
106	S	84.5	Confident	88.3	Confident	87 Å²	87	50 Å²	50	61%	0.608	28%	0.275	S	S	*	.	H	α-helix	trans	-61.1	-39.1	175.5	49	0	0	0	0	111.6	S104 L109 K110	S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.91Å; S106-L109 PolarHBondContact O-N 2.82Å; S106-K110 WeakPolarHBondContact O-CB 3.42Å; S106-K110 PolarHBondContact O-N 3.47Å
107	E	86.7	Confident	88.3	Confident	54 Å²	54	52.5 Å²	52.5	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-40.5	177.8	-168.7	59.3	-157.6	0	0	110.8	L99 S104 Y105 L109 K110 Q111	L99-E107 HydrophobicContact CD1-CB 4.24Å; L99-E107 HydrophobicContact CD1-CG 3.95Å; L99-E107 HydrophobicContact CD2-CG 4.34Å; S104-E107 WeakPolarHBondContact O-CB 3.37Å; S104-E107 PolarHBondContact O-N 2.6Å; Y105-E107 VanDerWaalsContact C-N 3.26Å; Y105-E107 PolarHBondContact O-N 2.95Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 3.44Å; E107-K110 PolarHBondContact O-N 3.4Å; E107-Q111 HydrophobicContact CG-CG 4.1Å; E107-Q111 WeakPolarHBondContact O-CB 3.36Å; E107-Q111 WeakPolarHBondContact O-CG 3.41Å; E107-Q111 PolarHBondContact O-N 2.78Å; E107-Q111 PolarHBondContact OE1-NE2 2.97Å
108	I	87.7	Confident	88.4	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-55.1	-51.1	174.1	-61.1	175	0	0	0	110.9	I96 L99 L100 S104 Y105 K110 Q111 L112	I96-I108 HydrophobicContact CG2-CG1 4.42Å; I96-I108 HydrophobicContact CG2-CG2 3.9Å; L99-I108 HydrophobicContact CB-CD1 3.91Å; L99-I108 HydrophobicContact CB-CG1 3.45Å; L99-I108 VanDerWaalsContact CB-CG1 3.45Å; L99-I108 HydrophobicContact CD1-CG1 3.96Å; L99-I108 HydrophobicContact CG-CG1 4.38Å; L100-I108 HydrophobicContact CB-CD1 4.41Å; L100-I108 HydrophobicContact CD2-CD1 3.5Å; L100-I108 HydrophobicContact CG-CD1 3.69Å; S104-I108 PolarHBondContact O-N 2.91Å; Y105-I108 HydrophobicContact CD1-CD1 4.15Å; Y105-I108 PolarHBondContact O-N 3.14Å; I108-K110 VanDerWaalsContact C-N 3.29Å; I108-K110 PolarHBondContact O-N 3.37Å; I108-Q111 PolarHBondContact O-N 2.91Å; I108-L112 HydrophobicContact CG2-CD1 3.71Å; I108-L112 HydrophobicContact CG2-CG 4.29Å; I108-L112 WeakPolarHBondContact O-CB 3.33Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 2.96Å
109	L	85.6	Confident	88.6	Confident	61 Å²	61	52 Å²	52	32%	0.319	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-37.2	-177.9	-65	178.2	0	0	0	111.8	A61 R62 Y105 S106 E107 G113	A61-L109 HydrophobicContact CB-CD1 4.19Å; A61-L109 HydrophobicContact CB-CD2 3.56Å; R62-L109 HydrophobicContact CB-CD1 4.44Å; Y105-L109 WeakPolarHBondContact O-CG 3.48Å; Y105-L109 PolarHBondContact O-N 3.45Å; S106-L109 PolarHBondContact O-N 2.82Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 3.44Å; L109-G113 PolarHBondContact O-N 3.31Å
110	K	85.7	Confident	88.7	Confident	107 Å²	107	52.2 Å²	52.2	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-44.4	175	-177.7	-176.1	173.9	-170	0	112	S106 E107 I108 G113 N114	S106-K110 WeakPolarHBondContact O-CB 3.42Å; S106-K110 PolarHBondContact O-N 3.47Å; E107-K110 PolarHBondContact O-N 3.4Å; I108-K110 VanDerWaalsContact C-N 3.29Å; I108-K110 PolarHBondContact O-N 3.37Å; K110-G113 PolarHBondContact O-N 3.3Å; K110-N114 PolarHBondContact O-N 3Å; K110-N114 PolarHBondContact O-ND2 3.04Å
111	Q	86.2	Confident	88.8	Confident	27 Å²	27	52.1 Å²	52.1	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-44.4	-177	-70.1	-65.7	-14	0	0	111.8	Y95 I96 E107 I108 G113 N114 C116 F121	Y95-Q111 HydrophobicContact CE1-CG 4.29Å; I96-Q111 HydrophobicContact CD1-CB 4.32Å; E107-Q111 HydrophobicContact CG-CG 4.1Å; E107-Q111 WeakPolarHBondContact O-CB 3.36Å; E107-Q111 WeakPolarHBondContact O-CG 3.41Å; E107-Q111 PolarHBondContact O-N 2.78Å; E107-Q111 PolarHBondContact OE1-NE2 2.97Å; I108-Q111 PolarHBondContact O-N 2.91Å; Q111-G113 PolarHBondContact O-N 3.44Å; Q111-N114 PolarHBondContact O-N 3.18Å; Q111-N114 VanDerWaalsContact O-O 3.05Å; Q111-C116 PolarHBondContact OE1-SG 2.86Å; Q111-F121 HydrophobicContact CB-CE1 3.83Å; Q111-F121 HydrophobicContact CB-CZ 4.4Å
112	L	85.3	Confident	88.9	Confident	40 Å²	40	47.2 Å²	47.2	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-71.1	-18.3	177	-65.6	178	0	0	0	113.5	I96 I108 F121 W123	I96-L112 HydrophobicContact CD1-CD2 4.21Å; I96-L112 HydrophobicContact CD1-CG 4.31Å; I96-L112 HydrophobicContact CG1-CD2 4.23Å; I108-L112 HydrophobicContact CG2-CD1 3.71Å; I108-L112 HydrophobicContact CG2-CG 4.29Å; I108-L112 WeakPolarHBondContact O-CB 3.33Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 2.96Å; L112-F121 HydrophobicContact CD2-CZ 4.37Å; L112-W123 HydrophobicContact CD2-CD2 4.03Å; L112-W123 HydrophobicContact CD2-CE3 4.32Å; L112-W123 HydrophobicContact CD2-CH2 4.15Å; L112-W123 HydrophobicContact CD2-CZ2 3.81Å; L112-W123 HydrophobicContact CD2-CZ3 4.38Å; L112-W123 PolarHBondContact O-NE1 3.47Å
113	G	80.2	Confident	89	Confident	49 Å²	49	43.5 Å²	43.5	51%	0.505	24%	0.237	S	C	.	.	H	α-helix	trans	-82.2	-25.4	177.7	0	0	0	0	0	114.6	L109 K110 Q111	L109-G113 PolarHBondContact O-N 3.31Å; K110-G113 PolarHBondContact O-N 3.3Å; Q111-G113 PolarHBondContact O-N 3.44Å
114	N	83	Confident	89.1	Confident	95 Å²	95	40.8 Å²	40.8	51%	0.508	22%	0.222	S	C	.	.	S	Bend	trans	-118.7	155.8	-171.1	-65.9	-57	0	0	0	111.8	K110 Q111 C116	K110-N114 PolarHBondContact O-N 3Å; K110-N114 PolarHBondContact O-ND2 3.04Å; Q111-N114 PolarHBondContact O-N 3.18Å; Q111-N114 VanDerWaalsContact O-O 3.05Å; N114-C116 PolarHBondContact O-N 3.44Å
115	F	89.3	Confident	89.2	Confident	136 Å²	136	43 Å²	43	60%	0.596	24%	0.238	S	C	*	.			trans	-64.4	128.9	164.9	173.9	-91.5	0	0	0	109	E117 W123 N124	F115-E117 HydrophobicContact CE1-CB 4.44Å; F115-E117 HydrophobicContact CE1-CG 4.05Å; F115-E117 HydrophobicContact CE2-CG 4.35Å; F115-E117 HydrophobicContact CZ-CB 4.49Å; F115-E117 HydrophobicContact CZ-CG 3.64Å; F115-E117 WeakPolarHBondContact CZ-OE1 3.46Å; F115-W123 WeakPolarHBondContact CA-O 3.3Å; F115-N124 HydrophobicContact CD2-CB 3.73Å; F115-N124 HydrophobicContact CE2-CB 3.8Å
116	C	90.1	Very high	89.4	Confident	16 Å²	16	47.3 Å²	47.3	11%	0.108	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.3	-180	-174.9	0	0	0	0	110.8	Q111 N114 F121 I122 W123	Q111-C116 PolarHBondContact OE1-SG 2.86Å; N114-C116 PolarHBondContact O-N 3.44Å; C116-F121 HydrophobicContact CB-CD1 3.96Å; C116-F121 HydrophobicContact CB-CE1 3.99Å; C116-I122 CarbonylContact O-C 3.17Å; C116-I122 WeakPolarHBondContact O-CA 3.44Å; C116-W123 PolarHBondContact N-O 3.2Å; C116-W123 PolarHBondContact O-N 3.32Å
117	E	92.7	Very high	89.8	Confident	54 Å²	54	43.1 Å²	43.1	25%	0.252	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	106.1	169.3	-80.4	-173.2	-173.5	0	0	109.2	F115 I122 I171 Q175	F115-E117 HydrophobicContact CE1-CB 4.44Å; F115-E117 HydrophobicContact CE1-CG 4.05Å; F115-E117 HydrophobicContact CE2-CG 4.35Å; F115-E117 HydrophobicContact CZ-CB 4.49Å; F115-E117 HydrophobicContact CZ-CG 3.64Å; F115-E117 WeakPolarHBondContact CZ-OE1 3.46Å; E117-I122 HydrophobicContact CG-CG2 4.3Å; E117-I171 HydrophobicContact CB-CD1 4.25Å; E117-I171 HydrophobicContact CG-CD1 4.44Å; E117-Q175 PolarHBondContact O-NE2 2.64Å; E117-Q175 VanDerWaalsContact O-NE2 3.15Å
118	T	94	Very high	90	Very high	27 Å²	27	44.8 Å²	44.8	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.8	174.3	64.8	0	0	0	0	109.1	R120 F121 Y178	T118-R120 PolarHBondContact O-N 3.47Å; T118-F121 PolarHBondContact N-O 3.31Å; T118-F121 CarbonylContact O-C 3.41Å; T118-F121 PolarHBondContact O-N 2.86Å; T118-F121 VanDerWaalsContact O-O 3.1Å; T118-F121 PolarHBondContact OG1-N 3.08Å; T118-F121 PolarHBondContact OG1-O 2.66Å; T118-Y178 HydrophobicContact CG2-CE2 4.37Å
119	P	95.6	Very high	90.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-24.5	-179.2	-32.2	40.3	0	0	0	115.2	V167 Y168 I171 Y172 Q175 Y178	P119-V167 HydrophobicContact CB-CG1 4.21Å; P119-V167 CarbonylContact O-C 3.36Å; P119-V167 VanDerWaalsContact O-CA 3.27Å; P119-V167 WeakPolarHBondContact O-CA 3.36Å; P119-Y168 WeakPolarHBondContact O-CD2 3.3Å; P119-Y168 PolarHBondContact O-N 2.87Å; P119-I171 HydrophobicContact CG-CG2 4.09Å; P119-Y172 HydrophobicContact CB-CD2 4.15Å; P119-Y172 HydrophobicContact CG-CD2 4.22Å; P119-Q175 HydrophobicContact CG-CB 4.27Å; P119-Y178 HydrophobicContact CB-CD1 3.88Å; P119-Y178 HydrophobicContact CB-CE1 4.23Å; P119-Y178 HydrophobicContact CB-CG 4.13Å; P119-Y178 HydrophobicContact CG-CD1 3.88Å; P119-Y178 HydrophobicContact CG-CD2 4.04Å; P119-Y178 HydrophobicContact CG-CG 3.59Å
120	R	94.2	Very high	90.5	Very high	22 Å²	22	47 Å²	47	8%	0.083	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-5.6	177.7	-65	-175.6	70.1	-131.2	-5.6	114.7	Y95 D98 T118 D166 V167 Y178	Y95-R120 WeakPolarHBondContact CB-O 3.43Å; Y95-R120 HydrophobicContact CD2-CB 4.22Å; D98-R120 IonicContact OD2-CZ 3.7Å; D98-R120 IonicContact OD2-NH1 3.38Å; D98-R120 PolarHBondContact OD2-NH1 2.9Å; D98-R120 IonicContact OD2-NH2 3.7Å; D98-R120 PolarHBondContact OD2-NH2 3.4Å; T118-R120 PolarHBondContact O-N 3.47Å; R120-D166 WeakPolarHBondContact CA-O 3.44Å; R120-D166 IonicContact CZ-OD2 2.67Å; R120-D166 IonicContact NE-OD2 3.06Å; R120-D166 PolarHBondContact NE-OD2 3.03Å; R120-D166 IonicContact NH2-OD2 3.63Å; R120-D166 PolarHBondContact NH2-OD2 3.41Å; R120-V167 HydrophobicContact CG-CG2 4.46Å; R120-Y178 HydrophobicContact CB-CE1 4.5Å; R120-Y178 HydrophobicContact CG-CE1 3.9Å
121	F	94.2	Very high	90.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	121.6	-173.9	-175.6	-120.4	0	0	0	112.1	T93 Y95 I96 Q111 L112 C116 T118 W123	T93-F121 HydrophobicContact CG2-CE2 4.4Å; T93-F121 WeakPolarHBondContact OG1-CD2 3.48Å; T93-F121 WeakPolarHBondContact OG1-CE2 3.26Å; Y95-F121 HydrophobicContact CD1-CB 3.57Å; Y95-F121 AromaticContact CD1-CD1 3.97Å; Y95-F121 HydrophobicContact CD1-CD1 3.97Å; Y95-F121 AromaticContact CD1-CD2 3.74Å; Y95-F121 HydrophobicContact CD1-CD2 3.74Å; Y95-F121 HydrophobicContact CD1-CE2 4.39Å; Y95-F121 AromaticContact CD1-CG 3.49Å; Y95-F121 HydrophobicContact CD1-CG 3.49Å; Y95-F121 VanDerWaalsContact CD1-CG 3.49Å; Y95-F121 HydrophobicContact CD2-CB 4.35Å; Y95-F121 HydrophobicContact CE1-CB 4.12Å; Y95-F121 HydrophobicContact CE1-CD1 4.14Å; Y95-F121 HydrophobicContact CE1-CG 4.08Å; Y95-F121 HydrophobicContact CG-CB 3.7Å; Y95-F121 HydrophobicContact CG-CD2 4.22Å; Y95-F121 HydrophobicContact CG-CG 4.06Å; I96-F121 HydrophobicContact CD1-CE1 4.48Å; I96-F121 HydrophobicContact CD1-CE2 3.9Å; I96-F121 HydrophobicContact CD1-CZ 3.8Å; I96-F121 HydrophobicContact CG1-CD2 4.47Å; I96-F121 HydrophobicContact CG1-CE2 3.72Å; I96-F121 HydrophobicContact CG1-CZ 4.08Å; Q111-F121 HydrophobicContact CB-CE1 3.83Å; Q111-F121 HydrophobicContact CB-CZ 4.4Å; L112-F121 HydrophobicContact CD2-CZ 4.37Å; C116-F121 HydrophobicContact CB-CD1 3.96Å; C116-F121 HydrophobicContact CB-CE1 3.99Å; T118-F121 PolarHBondContact N-O 3.31Å; T118-F121 CarbonylContact O-C 3.41Å; T118-F121 PolarHBondContact O-N 2.86Å; T118-F121 VanDerWaalsContact O-O 3.1Å; T118-F121 PolarHBondContact OG1-N 3.08Å; T118-F121 PolarHBondContact OG1-O 2.66Å; F121-W123 HydrophobicContact CD1-CB 4.34Å; F121-W123 HydrophobicContact CE1-CB 3.48Å; F121-W123 VanDerWaalsContact CE1-CB 3.48Å; F121-W123 HydrophobicContact CE1-CG 4.25Å; F121-W123 HydrophobicContact CE2-CB 4.07Å; F121-W123 HydrophobicContact CZ-CB 3.34Å; F121-W123 HydrophobicContact CZ-CD2 4.24Å; F121-W123 HydrophobicContact CZ-CE3 4.41Å; F121-W123 AromaticContact CZ-CG 3.81Å; F121-W123 HydrophobicContact CZ-CG 3.81Å
122	I	93.8	Very high	90.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.2	170.2	-61.1	173.1	0	0	0	107	C116 E117 M127 Y157 L158 E161 Y168 I171	C116-I122 CarbonylContact O-C 3.17Å; C116-I122 WeakPolarHBondContact O-CA 3.44Å; E117-I122 HydrophobicContact CG-CG2 4.3Å; I122-M127 HydrophobicContact CG2-SD 3.94Å; I122-M127 VanDerWaalsContact O-CE 3.25Å; I122-M127 WeakPolarHBondContact O-CE 3.47Å; I122-Y157 HydrophobicContact CG2-CD1 4.01Å; I122-Y157 HydrophobicContact CG2-CE1 3.8Å; I122-L158 HydrophobicContact CB-CD2 3.96Å; I122-L158 HydrophobicContact CD1-CD2 4.02Å; I122-L158 HydrophobicContact CG2-CD2 4.23Å; I122-E161 HydrophobicContact CD1-CG 4.11Å; I122-Y168 HydrophobicContact CB-CE2 4.39Å; I122-Y168 HydrophobicContact CD1-CD1 3.64Å; I122-Y168 HydrophobicContact CD1-CD2 3.74Å; I122-Y168 HydrophobicContact CD1-CE1 3.82Å; I122-Y168 HydrophobicContact CD1-CE2 3.94Å; I122-Y168 HydrophobicContact CD1-CG 3.59Å; I122-Y168 HydrophobicContact CG1-CD2 3.75Å; I122-Y168 HydrophobicContact CG1-CE2 3.79Å; I122-Y168 HydrophobicContact CG1-CG 4.14Å; I122-I171 HydrophobicContact CD1-CD1 3.48Å; I122-I171 VanDerWaalsContact CD1-CD1 3.48Å; I122-I171 HydrophobicContact CG1-CD1 3.49Å; I122-I171 VanDerWaalsContact CG1-CD1 3.49Å
123	W	93.2	Very high	91.1	Very high	8 Å²	8	48.3 Å²	48.3	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	122.7	175.1	-171.1	-109.9	0	0	0	110.6	L112 F115 C116 F121 M127 K128 L131 F155	L112-W123 HydrophobicContact CD2-CD2 4.03Å; L112-W123 HydrophobicContact CD2-CE3 4.32Å; L112-W123 HydrophobicContact CD2-CH2 4.15Å; L112-W123 HydrophobicContact CD2-CZ2 3.81Å; L112-W123 HydrophobicContact CD2-CZ3 4.38Å; L112-W123 PolarHBondContact O-NE1 3.47Å; F115-W123 WeakPolarHBondContact CA-O 3.3Å; C116-W123 PolarHBondContact N-O 3.2Å; C116-W123 PolarHBondContact O-N 3.32Å; F121-W123 HydrophobicContact CD1-CB 4.34Å; F121-W123 HydrophobicContact CE1-CB 3.48Å; F121-W123 VanDerWaalsContact CE1-CB 3.48Å; F121-W123 HydrophobicContact CE1-CG 4.25Å; F121-W123 HydrophobicContact CE2-CB 4.07Å; F121-W123 HydrophobicContact CZ-CB 3.34Å; F121-W123 HydrophobicContact CZ-CD2 4.24Å; F121-W123 HydrophobicContact CZ-CE3 4.41Å; F121-W123 AromaticContact CZ-CG 3.81Å; F121-W123 HydrophobicContact CZ-CG 3.81Å; W123-M127 HydrophobicContact CE3-CB 4.07Å; W123-M127 HydrophobicContact CE3-CE 4.14Å; W123-M127 HydrophobicContact CZ3-CB 4.07Å; W123-M127 HydrophobicContact CZ3-CE 4.5Å; W123-K128 HydrophobicContact CH2-CB 4.31Å; W123-K128 HydrophobicContact CZ2-CB 3.59Å; W123-K128 HydrophobicContact CZ2-CG 3.92Å; W123-L131 HydrophobicContact CH2-CB 4.3Å; W123-L131 HydrophobicContact CH2-CD2 3.78Å; W123-F155 HydrophobicContact CZ3-CE1 4.26Å; W123-F155 AromaticContact CZ3-CZ 3.88Å; W123-F155 HydrophobicContact CZ3-CZ 3.88Å
124	N	91.5	Very high	91.4	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.08	25%	0.251	C	S	.	.			trans	-137.8	174	-178.7	66.4	38.3	0	0	0	110.9	F115 N126 M127 K128	F115-N124 HydrophobicContact CD2-CB 3.73Å; F115-N124 HydrophobicContact CE2-CB 3.8Å; N124-N126 PolarHBondContact O-N 3.04Å; N124-N126 WeakPolarHBondContact OD1-CA 3.36Å; N124-N126 WeakPolarHBondContact OD1-CB 3.36Å; N124-N126 PolarHBondContact OD1-N 3.24Å; N124-M127 PolarHBondContact O-N 3.22Å; N124-M127 WeakPolarHBondContact OD1-CG 3.35Å; N124-M127 PolarHBondContact OD1-N 3.42Å; N124-K128 WeakPolarHBondContact O-CB 3.2Å; N124-K128 PolarHBondContact O-N 2.99Å
125	S	91.1	Very high	91.3	Very high	87 Å²	87	47.3 Å²	47.3	61%	0.608	25%	0.25	S	C	*	.	H	α-helix	trans	-60.4	-31.5	-178.6	-55.7	0	0	0	0	113.1	S129	S125-S129 WeakPolarHBondContact O-CB 3.21Å; S125-S129 PolarHBondContact O-N 2.75Å; S125-S129 PolarHBondContact O-OG 2.97Å
126	N	91.7	Very high	91	Very high	104 Å²	104	46.5 Å²	46.5	56%	0.556	25%	0.25	S	S	*	.	H	α-helix	trans	-70.7	-50.6	179.4	-66.3	1.9	0	0	0	110.6	N124 K128 S129 E130	N124-N126 PolarHBondContact O-N 3.04Å; N124-N126 WeakPolarHBondContact OD1-CA 3.36Å; N124-N126 WeakPolarHBondContact OD1-CB 3.36Å; N124-N126 PolarHBondContact OD1-N 3.24Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.14Å; N126-S129 CarbonylContact O-C 3.22Å; N126-S129 WeakPolarHBondContact O-CA 3.22Å; N126-S129 WeakPolarHBondContact O-CB 3.39Å; N126-S129 PolarHBondContact O-N 3.27Å; N126-E130 WeakPolarHBondContact O-CG 3.44Å; N126-E130 PolarHBondContact O-N 3.33Å
127	M	93.1	Very high	90.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-42.7	175.5	-65.8	175.1	70	0	0	111.6	T93 I122 W123 N124 S129 E130 L131 F155 Y157 L158	T93-M127 HydrophobicContact CG2-CE 4.43Å; I122-M127 HydrophobicContact CG2-SD 3.94Å; I122-M127 VanDerWaalsContact O-CE 3.25Å; I122-M127 WeakPolarHBondContact O-CE 3.47Å; W123-M127 HydrophobicContact CE3-CB 4.07Å; W123-M127 HydrophobicContact CE3-CE 4.14Å; W123-M127 HydrophobicContact CZ3-CB 4.07Å; W123-M127 HydrophobicContact CZ3-CE 4.5Å; N124-M127 PolarHBondContact O-N 3.22Å; N124-M127 WeakPolarHBondContact OD1-CG 3.35Å; N124-M127 PolarHBondContact OD1-N 3.42Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 2.98Å; M127-E130 PolarHBondContact O-N 3.3Å; M127-L131 PolarHBondContact O-N 3.41Å; M127-F155 HydrophobicContact CB-CD1 3.85Å; M127-F155 HydrophobicContact CB-CE1 3.98Å; M127-F155 HydrophobicContact CE-CB 4.16Å; M127-F155 HydrophobicContact CE-CD1 4.17Å; M127-F155 HydrophobicContact CE-CD2 3.78Å; M127-F155 HydrophobicContact CE-CE2 4.15Å; M127-F155 HydrophobicContact CE-CG 3.77Å; M127-F155 HydrophobicContact CE-CZ 4.49Å; M127-F155 HydrophobicContact CG-CB 4.41Å; M127-F155 HydrophobicContact CG-CD1 4.04Å; M127-F155 HydrophobicContact CG-CG 4.32Å; M127-F155 VanDerWaalsContact O-CE1 3.28Å; M127-F155 WeakPolarHBondContact O-CE1 3.22Å; M127-Y157 HydrophobicContact SD-CD1 4.42Å; M127-L158 HydrophobicContact CE-CD1 3.62Å; M127-L158 HydrophobicContact CE-CD2 3.95Å; M127-L158 HydrophobicContact CE-CG 3.73Å; M127-L158 HydrophobicContact SD-CD2 4.19Å; M127-L158 HydrophobicContact SD-CG 4.36Å
128	K	90.9	Very high	89.7	Confident	89 Å²	89	50.1 Å²	50.1	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-42.1	174.2	-176.7	174.3	-178.3	172.8	0	112	W123 N124 N126 L132	W123-K128 HydrophobicContact CH2-CB 4.31Å; W123-K128 HydrophobicContact CZ2-CB 3.59Å; W123-K128 HydrophobicContact CZ2-CG 3.92Å; N124-K128 WeakPolarHBondContact O-CB 3.2Å; N124-K128 PolarHBondContact O-N 2.99Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.14Å; K128-L132 HydrophobicContact CG-CD1 4.04Å; K128-L132 WeakPolarHBondContact O-CB 3.34Å; K128-L132 WeakPolarHBondContact O-CG 3.39Å; K128-L132 PolarHBondContact O-N 3.42Å
129	S	92.6	Very high	88.8	Confident	60 Å²	60	52.3 Å²	52.3	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-68.3	-43.9	179.4	-55.9	0	0	0	0	111.2	S125 N126 M127 L131 L132 D133	S125-S129 WeakPolarHBondContact O-CB 3.21Å; S125-S129 PolarHBondContact O-N 2.75Å; S125-S129 PolarHBondContact O-OG 2.97Å; N126-S129 CarbonylContact O-C 3.22Å; N126-S129 WeakPolarHBondContact O-CA 3.22Å; N126-S129 WeakPolarHBondContact O-CB 3.39Å; N126-S129 PolarHBondContact O-N 3.27Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 2.98Å; S129-L131 PolarHBondContact O-N 3.04Å; S129-L132 PolarHBondContact O-N 3.1Å; S129-D133 WeakPolarHBondContact O-CB 3.2Å; S129-D133 PolarHBondContact O-N 3.01Å
130	E	92.8	Very high	88	Confident	51 Å²	51	56.7 Å²	56.7	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-46.1	174.8	-72.6	176.5	-130.8	0	0	112.1	N126 M127 D133 Y134 F155 S156	N126-E130 WeakPolarHBondContact O-CG 3.44Å; N126-E130 PolarHBondContact O-N 3.33Å; M127-E130 PolarHBondContact O-N 3.3Å; E130-D133 PolarHBondContact O-N 3.39Å; E130-Y134 WeakPolarHBondContact O-CB 3.14Å; E130-Y134 PolarHBondContact O-N 3.14Å; E130-F155 HydrophobicContact CB-CD1 4.27Å; E130-F155 HydrophobicContact CB-CE1 4.49Å; E130-F155 WeakPolarHBondContact OE2-CA 3.38Å; E130-S156 PolarHBondContact OE1-OG 3.04Å; E130-S156 PolarHBondContact OE2-N 3.04Å; E130-S156 PolarHBondContact OE2-OG 3.41Å
131	L	90.1	Very high	87.3	Confident	21 Å²	21	58 Å²	58	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-44.3	177.1	-179.7	62.1	0	0	0	111.6	L91 L92 W123 M127 S129 Y134 V135 F155	L91-L131 HydrophobicContact CB-CD1 4.1Å; L91-L131 HydrophobicContact CD2-CD1 3.98Å; L91-L131 WeakPolarHBondContact O-CD1 3.45Å; L92-L131 HydrophobicContact CD2-CD2 3.91Å; W123-L131 HydrophobicContact CH2-CB 4.3Å; W123-L131 HydrophobicContact CH2-CD2 3.78Å; M127-L131 PolarHBondContact O-N 3.41Å; S129-L131 PolarHBondContact O-N 3.04Å; L131-Y134 WeakPolarHBondContact O-CB 3.49Å; L131-Y134 PolarHBondContact O-N 2.94Å; L131-V135 HydrophobicContact CD1-CG2 4.03Å; L131-V135 HydrophobicContact CG-CG2 4.31Å; L131-V135 WeakPolarHBondContact O-CB 3.5Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.11Å; L131-V135 PolarHBondContact O-N 3.1Å; L131-F155 HydrophobicContact CB-CE1 4.01Å; L131-F155 HydrophobicContact CB-CZ 4.22Å
132	L	88.7	Confident	86.3	Confident	88 Å²	88	63.3 Å²	63.3	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-43.2	178.3	-74.1	173.4	0	0	0	111.4	K128 S129 Y134 V135 I136	K128-L132 HydrophobicContact CG-CD1 4.04Å; K128-L132 WeakPolarHBondContact O-CB 3.34Å; K128-L132 WeakPolarHBondContact O-CG 3.39Å; K128-L132 PolarHBondContact O-N 3.42Å; S129-L132 PolarHBondContact O-N 3.1Å; L132-Y134 VanDerWaalsContact C-N 3.27Å; L132-Y134 PolarHBondContact O-N 3.22Å; L132-V135 PolarHBondContact O-N 3.34Å; L132-I136 WeakPolarHBondContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CD1 3.27Å; L132-I136 WeakPolarHBondContact O-CG1 3.34Å; L132-I136 PolarHBondContact O-N 3.24Å
133	D	89.8	Confident	85.6	Confident	93 Å²	93	71.1 Å²	71.1	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-36.5	176.4	-78.8	-10.6	0	0	0	111.9	S129 E130 K137	S129-D133 WeakPolarHBondContact O-CB 3.2Å; S129-D133 PolarHBondContact O-N 3.01Å; E130-D133 PolarHBondContact O-N 3.39Å; D133-K137 VanDerWaalsContact O-CD 3.31Å; D133-K137 WeakPolarHBondContact O-CD 3.29Å; D133-K137 VanDerWaalsContact O-CG 3.25Å; D133-K137 WeakPolarHBondContact O-CG 3.35Å
134	Y	86.4	Confident	85.2	Confident	45 Å²	45	77.6 Å²	77.6	18%	0.176	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-51.1	174	-174.9	-93.1	0	0	0	111.8	L91 E130 L131 L132 I136 K137 A138 P148 D149 D150 F153	L91-Y134 HydrophobicContact CD2-CD1 3.7Å; L91-Y134 HydrophobicContact CD2-CE1 3.63Å; E130-Y134 WeakPolarHBondContact O-CB 3.14Å; E130-Y134 PolarHBondContact O-N 3.14Å; L131-Y134 WeakPolarHBondContact O-CB 3.49Å; L131-Y134 PolarHBondContact O-N 2.94Å; L132-Y134 VanDerWaalsContact C-N 3.27Å; L132-Y134 PolarHBondContact O-N 3.22Å; Y134-I136 PolarHBondContact O-N 3.32Å; Y134-K137 PolarHBondContact O-N 3.48Å; Y134-A138 PolarHBondContact O-N 3.28Å; Y134-P148 HydrophobicContact CE1-CB 4.38Å; Y134-P148 WeakPolarHBondContact OH-CB 3.27Å; Y134-D149 PolarHBondContact OH-N 3.25Å; Y134-D149 PolarHBondContact OH-O 3.38Å; Y134-D149 VanDerWaalsContact OH-O 3.08Å; Y134-D150 WeakPolarHBondContact CE1-OD1 3.43Å; Y134-D150 WeakPolarHBondContact OH-CA 3.4Å; Y134-D150 PolarHBondContact OH-N 3.35Å; Y134-D150 VanDerWaalsContact OH-N 3.11Å; Y134-D150 PolarHBondContact OH-OD1 2.68Å; Y134-F153 HydrophobicContact CD1-CD2 4.26Å; Y134-F153 AromaticContact CD2-CD2 3.48Å; Y134-F153 HydrophobicContact CD2-CD2 3.48Å; Y134-F153 VanDerWaalsContact CD2-CD2 3.48Å; Y134-F153 AromaticContact CD2-CE2 3.92Å; Y134-F153 HydrophobicContact CD2-CE2 3.92Å; Y134-F153 HydrophobicContact CE2-CB 4.49Å; Y134-F153 AromaticContact CE2-CD2 3.85Å; Y134-F153 HydrophobicContact CE2-CD2 3.85Å; Y134-F153 AromaticContact CG-CD2 3.69Å; Y134-F153 HydrophobicContact CG-CD2 3.69Å; Y134-F153 AromaticContact CG-CE2 3.85Å; Y134-F153 HydrophobicContact CG-CE2 3.85Å
135	V	82.3	Confident	84.4	Confident	78 Å²	78	81.6 Å²	81.6	47%	0.473	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-35.8	-177	173.1	0	0	0	0	111.9	L131 L132 K137 A138 P139	L131-V135 HydrophobicContact CD1-CG2 4.03Å; L131-V135 HydrophobicContact CG-CG2 4.31Å; L131-V135 WeakPolarHBondContact O-CB 3.5Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.11Å; L131-V135 PolarHBondContact O-N 3.1Å; L132-V135 PolarHBondContact O-N 3.34Å; V135-K137 VanDerWaalsContact C-N 3.29Å; V135-K137 PolarHBondContact O-N 3.18Å; V135-A138 WeakPolarHBondContact O-CB 3.46Å; V135-A138 PolarHBondContact O-N 3Å; V135-P139 VanDerWaalsContact O-CD 3.27Å; V135-P139 WeakPolarHBondContact O-CD 3.34Å
136	I	82.7	Confident	83.9	Confident	118 Å²	118	82.6 Å²	82.6	61%	0.605	44%	0.438	S	S	*	.	H	α-helix	trans	-66	-31.7	177.1	-71.3	166.5	0	0	0	111.6	L132 Y134 P139	L132-I136 WeakPolarHBondContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CD1 3.27Å; L132-I136 WeakPolarHBondContact O-CG1 3.34Å; L132-I136 PolarHBondContact O-N 3.24Å; Y134-I136 PolarHBondContact O-N 3.32Å; I136-P139 WeakPolarHBondContact O-CD 3.47Å
137	K	81.6	Confident	82.9	Confident	128 Å²	128	82.6 Å²	82.6	56%	0.557	45%	0.446	S	S	*	.	H	α-helix	trans	-79.1	-22.1	177.5	-68.8	169.1	-170.2	168.7	0	113	D133 Y134 V135 D140 L141	D133-K137 VanDerWaalsContact O-CD 3.31Å; D133-K137 WeakPolarHBondContact O-CD 3.29Å; D133-K137 VanDerWaalsContact O-CG 3.25Å; D133-K137 WeakPolarHBondContact O-CG 3.35Å; Y134-K137 PolarHBondContact O-N 3.48Å; V135-K137 VanDerWaalsContact C-N 3.29Å; V135-K137 PolarHBondContact O-N 3.18Å; K137-D140 PolarHBondContact O-N 3.26Å; K137-L141 PolarHBondContact O-N 3.03Å; K137-L141 VanDerWaalsContact O-N 3.15Å
138	A	73.9	Confident	82.2	Confident	18 Å²	18	83.7 Å²	83.7	15%	0.149	45%	0.453	C	S	.	.	H	α-helix	trans	-59.4	-43.5	-174.3	0	0	0	0	0	114.1	Y134 V135 D140 L141 L142 P148	Y134-A138 PolarHBondContact O-N 3.28Å; V135-A138 WeakPolarHBondContact O-CB 3.46Å; V135-A138 PolarHBondContact O-N 3Å; A138-D140 VanDerWaalsContact C-N 3.32Å; A138-D140 PolarHBondContact O-N 2.73Å; A138-L141 PolarHBondContact O-N 2.96Å; A138-L142 VanDerWaalsContact O-CG 3.3Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 3.38Å; A138-P148 HydrophobicContact CB-CG 4.48Å
139	P	74.7	Confident	81.8	Confident	74 Å²	74	84 Å²	84	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-59.1	-39.2	175.2	-25.1	34.5	0	0	0	113.6	V135 I136 L142 M143	V135-P139 VanDerWaalsContact O-CD 3.27Å; V135-P139 WeakPolarHBondContact O-CD 3.34Å; I136-P139 WeakPolarHBondContact O-CD 3.47Å; P139-L142 PolarHBondContact O-N 3.41Å; P139-M143 WeakPolarHBondContact O-CB 3.44Å; P139-M143 VanDerWaalsContact O-CG 3.29Å; P139-M143 WeakPolarHBondContact O-CG 3.38Å; P139-M143 PolarHBondContact O-N 3.16Å
140	D	79.8	Confident	81.3	Confident	92 Å²	92	83.7 Å²	83.7	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-68	-37.3	179	-73.5	-20	0	0	0	111.8	K137 A138 K144	K137-D140 PolarHBondContact O-N 3.26Å; A138-D140 VanDerWaalsContact C-N 3.32Å; A138-D140 PolarHBondContact O-N 2.73Å; D140-K144 WeakPolarHBondContact O-CG 3.42Å; D140-K144 PolarHBondContact O-N 3.48Å
141	L	78.6	Confident	80.5	Confident	50 Å²	50	84.5 Å²	84.5	26%	0.262	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-48.2	172.7	-66.4	174	0	0	0	110.7	K137 A138 M143 K144 A145 E146 P148	K137-L141 PolarHBondContact O-N 3.03Å; K137-L141 VanDerWaalsContact O-N 3.15Å; A138-L141 PolarHBondContact O-N 2.96Å; L141-M143 VanDerWaalsContact C-N 3.3Å; L141-M143 PolarHBondContact O-N 2.99Å; L141-K144 CarbonylContact O-C 3.47Å; L141-K144 WeakPolarHBondContact O-CA 3.26Å; L141-K144 WeakPolarHBondContact O-CB 3.41Å; L141-K144 PolarHBondContact O-N 3.01Å; L141-A145 PolarHBondContact O-N 2.96Å; L141-E146 CarbonylContact C-O 3.2Å; L141-E146 HydrophobicContact CB-CB 4.28Å; L141-E146 HydrophobicContact CD2-CB 4.34Å; L141-E146 VanDerWaalsContact CD2-OE2 3.24Å; L141-E146 WeakPolarHBondContact CD2-OE2 3.45Å; L141-E146 PolarHBondContact O-N 3.1Å; L141-E146 VanDerWaalsContact O-O 3.06Å; L141-P148 HydrophobicContact CD1-CB 4.28Å
142	L	73.8	Confident	80.3	Confident	110 Å²	110	85.1 Å²	85.1	58%	0.576	48%	0.476	S	S	*	.	H	α-helix	trans	-61.8	-37	178.5	-67.8	172.2	0	0	0	112	A138 P139 K144 A145 E146	A138-L142 VanDerWaalsContact O-CG 3.3Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 3.38Å; P139-L142 PolarHBondContact O-N 3.41Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 3.38Å; L142-A145 PolarHBondContact O-N 3.11Å; L142-A145 VanDerWaalsContact O-N 3.1Å; L142-E146 PolarHBondContact N-O 3.13Å
143	M	78.6	Confident	80.3	Confident	164 Å²	164	82 Å²	82	81%	0.808	46%	0.458	S	S	*	.	H	α-helix	trans	-66.1	-27.2	173.4	-73.5	-133.6	-68	0	0	113.3	P139 L141 A145	P139-M143 WeakPolarHBondContact O-CB 3.44Å; P139-M143 VanDerWaalsContact O-CG 3.29Å; P139-M143 WeakPolarHBondContact O-CG 3.38Å; P139-M143 PolarHBondContact O-N 3.16Å; L141-M143 VanDerWaalsContact C-N 3.3Å; L141-M143 PolarHBondContact O-N 2.99Å; M143-A145 VanDerWaalsContact C-N 3.27Å
144	K	84.5	Confident	80.3	Confident	144 Å²	144	82.9 Å²	82.9	63%	0.626	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	5.4	173.3	-68.2	171.2	-175.8	174.3	0	113.3	D140 L141 L142 E146	D140-K144 WeakPolarHBondContact O-CG 3.42Å; D140-K144 PolarHBondContact O-N 3.48Å; L141-K144 CarbonylContact O-C 3.47Å; L141-K144 WeakPolarHBondContact O-CA 3.26Å; L141-K144 WeakPolarHBondContact O-CB 3.41Å; L141-K144 PolarHBondContact O-N 3.01Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 3.38Å; K144-E146 HydrophobicContact CB-CG 4.32Å; K144-E146 PolarHBondContact O-N 3.26Å
145	A	75.6	Confident	80.6	Confident	99 Å²	99	81.1 Å²	81.1	82%	0.818	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	26	-171.9	0	0	0	0	0	113.8	L141 L142 M143	L141-A145 PolarHBondContact O-N 2.96Å; L142-A145 PolarHBondContact O-N 3.11Å; L142-A145 VanDerWaalsContact O-N 3.1Å; M143-A145 VanDerWaalsContact C-N 3.27Å
146	E	79.5	Confident	81.1	Confident	108 Å²	108	80.5 Å²	80.5	51%	0.505	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-96.8	136.8	170.1	-66	174.6	-175.6	0	0	109	L141 L142 K144	L141-E146 CarbonylContact C-O 3.2Å; L141-E146 HydrophobicContact CB-CB 4.28Å; L141-E146 HydrophobicContact CD2-CB 4.34Å; L141-E146 VanDerWaalsContact CD2-OE2 3.24Å; L141-E146 WeakPolarHBondContact CD2-OE2 3.45Å; L141-E146 PolarHBondContact O-N 3.1Å; L141-E146 VanDerWaalsContact O-O 3.06Å; L142-E146 PolarHBondContact N-O 3.13Å; K144-E146 HydrophobicContact CB-CG 4.32Å; K144-E146 PolarHBondContact O-N 3.26Å
147	S	71.6	Confident	81.5	Confident	104 Å²	104	78.3 Å²	78.3	73%	0.727	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-90.6	129.3	175.1	55.8	0	0	0	0	110.3	D149	S147-D149 PolarHBondContact O-N 3.36Å
148	P	76.8	Confident	82	Confident	24 Å²	24	73.8 Å²	73.8	16%	0.156	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-59.6	133.8	170.2	26.1	-32.5	0	0	0	109.8	Y134 A138 L141 D150	Y134-P148 HydrophobicContact CE1-CB 4.38Å; Y134-P148 WeakPolarHBondContact OH-CB 3.27Å; A138-P148 HydrophobicContact CB-CG 4.48Å; L141-P148 HydrophobicContact CD1-CB 4.28Å; P148-D150 PolarHBondContact O-N 3.36Å
149	D	83.4	Confident	82.6	Confident	95 Å²	95	79.6 Å²	79.6	51%	0.508	44%	0.438	S	S	.	.			trans	-82	74.5	174	-178.1	12.7	0	0	0	110	Y134 S147 S151 G152 F153	Y134-D149 PolarHBondContact OH-N 3.25Å; Y134-D149 PolarHBondContact OH-O 3.38Å; Y134-D149 VanDerWaalsContact OH-O 3.08Å; S147-D149 PolarHBondContact O-N 3.36Å; D149-S151 PolarHBondContact O-N 2.84Å; D149-S151 PolarHBondContact OD1-N 3.22Å; D149-S151 PolarHBondContact OD1-OG 3.01Å; D149-G152 PolarHBondContact O-N 3.37Å; D149-G152 PolarHBondContact OD1-N 3.41Å; D149-G152 WeakPolarHBondContact OD2-CA 3.28Å; D149-F153 PolarHBondContact O-N 3.27Å
150	D	82.1	Confident	83.2	Confident	54 Å²	54	84.4 Å²	84.4	29%	0.289	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.2	-179.7	-61.5	-32.4	0	0	0	110.9	A87 L91 Y134 P148	A87-D150 HydrophobicContact CB-CB 3.66Å; L91-D150 HydrophobicContact CD1-CB 3.98Å; Y134-D150 WeakPolarHBondContact CE1-OD1 3.43Å; Y134-D150 WeakPolarHBondContact OH-CA 3.4Å; Y134-D150 PolarHBondContact OH-N 3.35Å; Y134-D150 VanDerWaalsContact OH-N 3.11Å; Y134-D150 PolarHBondContact OH-OD1 2.68Å; P148-D150 PolarHBondContact O-N 3.36Å
151	S	76.8	Confident	83.8	Confident	68 Å²	68	81.5 Å²	81.5	48%	0.476	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-28.3	-178.8	77.8	0	0	0	0	113.2	D149 R154	D149-S151 PolarHBondContact O-N 2.84Å; D149-S151 PolarHBondContact OD1-N 3.22Å; D149-S151 PolarHBondContact OD1-OG 3.01Å; S151-R154 PolarHBondContact O-NH1 3.37Å; S151-R154 PolarHBondContact O-NH2 3.28Å
152	G	85.1	Confident	84.5	Confident	34 Å²	34	80.5 Å²	80.5	35%	0.351	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.2	176.7	0	0	0	0	0	114.3	D149 R154	D149-G152 PolarHBondContact O-N 3.37Å; D149-G152 PolarHBondContact OD1-N 3.41Å; D149-G152 WeakPolarHBondContact OD2-CA 3.28Å; G152-R154 PolarHBondContact O-N 3.3Å; G152-R154 PolarHBondContact O-NH1 2.96Å
153	F	88.4	Confident	85.4	Confident	22 Å²	22	77.5 Å²	77.5	10%	0.096	42%	0.419	C	S	.	.			trans	-59.4	131.4	-177.9	-177.8	-90.5	0	0	0	112.7	L91 Y134 D149 F155	L91-F153 HydrophobicContact CD2-CB 3.83Å; L91-F153 HydrophobicContact CD2-CD1 3.78Å; L91-F153 HydrophobicContact CD2-CD2 4.12Å; L91-F153 HydrophobicContact CD2-CE1 4.39Å; L91-F153 HydrophobicContact CD2-CG 3.62Å; Y134-F153 HydrophobicContact CD1-CD2 4.26Å; Y134-F153 AromaticContact CD2-CD2 3.48Å; Y134-F153 HydrophobicContact CD2-CD2 3.48Å; Y134-F153 VanDerWaalsContact CD2-CD2 3.48Å; Y134-F153 AromaticContact CD2-CE2 3.92Å; Y134-F153 HydrophobicContact CD2-CE2 3.92Å; Y134-F153 HydrophobicContact CE2-CB 4.49Å; Y134-F153 AromaticContact CE2-CD2 3.85Å; Y134-F153 HydrophobicContact CE2-CD2 3.85Å; Y134-F153 AromaticContact CG-CD2 3.69Å; Y134-F153 HydrophobicContact CG-CD2 3.69Å; Y134-F153 AromaticContact CG-CE2 3.85Å; Y134-F153 HydrophobicContact CG-CE2 3.85Å; D149-F153 PolarHBondContact O-N 3.27Å; F153-F155 AromaticContact CE1-CD1 3.77Å; F153-F155 HydrophobicContact CE1-CD1 3.77Å; F153-F155 AromaticContact CE1-CD2 3.94Å; F153-F155 HydrophobicContact CE1-CD2 3.94Å; F153-F155 AromaticContact CE1-CE1 3.54Å; F153-F155 HydrophobicContact CE1-CE1 3.54Å; F153-F155 AromaticContact CE1-CE2 3.73Å; F153-F155 HydrophobicContact CE1-CE2 3.73Å; F153-F155 AromaticContact CE1-CG 3.98Å; F153-F155 HydrophobicContact CE1-CG 3.98Å; F153-F155 AromaticContact CE1-CZ 3.53Å; F153-F155 HydrophobicContact CE1-CZ 3.53Å; F153-F155 AromaticContact CZ-CD1 3.89Å; F153-F155 HydrophobicContact CZ-CD1 3.89Å; F153-F155 AromaticContact CZ-CE1 3.66Å; F153-F155 HydrophobicContact CZ-CE1 3.66Å; F153-F155 HydrophobicContact CZ-CG 4.48Å; F153-F155 HydrophobicContact CZ-CZ 4.09Å
154	R	90.2	Very high	86	Confident	111 Å²	111	70.6 Å²	70.6	42%	0.419	39%	0.385	S	S	.	.			trans	-137	141.2	175.8	-59.4	-64.1	177	-89	-7.7	109.1	K90 S151 G152 E159	K90-R154 VanDerWaalsContact CE-CZ 3.47Å; K90-R154 VanDerWaalsContact CE-NH1 3.26Å; S151-R154 PolarHBondContact O-NH1 3.37Å; S151-R154 PolarHBondContact O-NH2 3.28Å; G152-R154 PolarHBondContact O-N 3.3Å; G152-R154 PolarHBondContact O-NH1 2.96Å; R154-E159 VanDerWaalsContact CB-OE1 3.27Å; R154-E159 WeakPolarHBondContact CB-OE1 3.43Å
155	F	92.4	Very high	86.2	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.035	38%	0.382	C	S	.	.			trans	-82.6	125.8	172.9	-70.9	-71.5	0	0	0	109.7	L91 T93 W123 M127 E130 L131 F153 Y157 L158 E159	L91-F155 VanDerWaalsContact O-CZ 3.28Å; L91-F155 WeakPolarHBondContact O-CZ 3.02Å; T93-F155 HydrophobicContact CG2-CE2 4.1Å; W123-F155 HydrophobicContact CZ3-CE1 4.26Å; W123-F155 AromaticContact CZ3-CZ 3.88Å; W123-F155 HydrophobicContact CZ3-CZ 3.88Å; M127-F155 HydrophobicContact CB-CD1 3.85Å; M127-F155 HydrophobicContact CB-CE1 3.98Å; M127-F155 HydrophobicContact CE-CB 4.16Å; M127-F155 HydrophobicContact CE-CD1 4.17Å; M127-F155 HydrophobicContact CE-CD2 3.78Å; M127-F155 HydrophobicContact CE-CE2 4.15Å; M127-F155 HydrophobicContact CE-CG 3.77Å; M127-F155 HydrophobicContact CE-CZ 4.49Å; M127-F155 HydrophobicContact CG-CB 4.41Å; M127-F155 HydrophobicContact CG-CD1 4.04Å; M127-F155 HydrophobicContact CG-CG 4.32Å; M127-F155 VanDerWaalsContact O-CE1 3.28Å; M127-F155 WeakPolarHBondContact O-CE1 3.22Å; E130-F155 HydrophobicContact CB-CD1 4.27Å; E130-F155 HydrophobicContact CB-CE1 4.49Å; E130-F155 WeakPolarHBondContact OE2-CA 3.38Å; L131-F155 HydrophobicContact CB-CE1 4.01Å; L131-F155 HydrophobicContact CB-CZ 4.22Å; F153-F155 AromaticContact CE1-CD1 3.77Å; F153-F155 HydrophobicContact CE1-CD1 3.77Å; F153-F155 AromaticContact CE1-CD2 3.94Å; F153-F155 HydrophobicContact CE1-CD2 3.94Å; F153-F155 AromaticContact CE1-CE1 3.54Å; F153-F155 HydrophobicContact CE1-CE1 3.54Å; F153-F155 AromaticContact CE1-CE2 3.73Å; F153-F155 HydrophobicContact CE1-CE2 3.73Å; F153-F155 AromaticContact CE1-CG 3.98Å; F153-F155 HydrophobicContact CE1-CG 3.98Å; F153-F155 AromaticContact CE1-CZ 3.53Å; F153-F155 HydrophobicContact CE1-CZ 3.53Å; F153-F155 AromaticContact CZ-CD1 3.89Å; F153-F155 HydrophobicContact CZ-CD1 3.89Å; F153-F155 AromaticContact CZ-CE1 3.66Å; F153-F155 HydrophobicContact CZ-CE1 3.66Å; F153-F155 HydrophobicContact CZ-CG 4.48Å; F153-F155 HydrophobicContact CZ-CZ 4.09Å; F155-Y157 PolarHBondContact O-N 3.48Å; F155-L158 HydrophobicContact CB-CB 4.24Å; F155-L158 HydrophobicContact CB-CD1 4.05Å; F155-L158 HydrophobicContact CB-CG 3.91Å; F155-L158 HydrophobicContact CD2-CD1 3.9Å; F155-L158 HydrophobicContact CG-CD1 4.36Å; F155-L158 PolarHBondContact O-N 3.2Å; F155-E159 PolarHBondContact O-N 3.49Å
156	S	93.1	Very high	86.8	Confident	66 Å²	66	63.7 Å²	63.7	46%	0.462	35%	0.354	S	S	.	.	H	α-helix	trans	-55.6	-41.9	-178.5	69.2	0	0	0	0	112.1	E130 L158 E159	E130-S156 PolarHBondContact OE1-OG 3.04Å; E130-S156 PolarHBondContact OE2-N 3.04Å; E130-S156 PolarHBondContact OE2-OG 3.41Å; S156-L158 VanDerWaalsContact C-N 3.29Å; S156-L158 PolarHBondContact O-N 2.96Å; S156-E159 PolarHBondContact O-N 2.9Å
157	Y	91.2	Very high	87.6	Confident	71 Å²	71	58.6 Å²	58.6	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-33.4	179.4	-167.6	-87.8	0	0	0	113.5	I122 M127 F155	I122-Y157 HydrophobicContact CG2-CD1 4.01Å; I122-Y157 HydrophobicContact CG2-CE1 3.8Å; M127-Y157 HydrophobicContact SD-CD1 4.42Å; F155-Y157 PolarHBondContact O-N 3.48Å
158	L	91.7	Very high	88.7	Confident	34 Å²	34	54.4 Å²	54.4	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-83.8	-15.9	-176.4	-61.5	-175.6	0	0	0	113.1	T93 I122 M127 F155 S156 E160 E161 Y168	T93-L158 HydrophobicContact CG2-CD1 4.48Å; I122-L158 HydrophobicContact CB-CD2 3.96Å; I122-L158 HydrophobicContact CD1-CD2 4.02Å; I122-L158 HydrophobicContact CG2-CD2 4.23Å; M127-L158 HydrophobicContact CE-CD1 3.62Å; M127-L158 HydrophobicContact CE-CD2 3.95Å; M127-L158 HydrophobicContact CE-CG 3.73Å; M127-L158 HydrophobicContact SD-CD2 4.19Å; M127-L158 HydrophobicContact SD-CG 4.36Å; F155-L158 HydrophobicContact CB-CB 4.24Å; F155-L158 HydrophobicContact CB-CD1 4.05Å; F155-L158 HydrophobicContact CB-CG 3.91Å; F155-L158 HydrophobicContact CD2-CD1 3.9Å; F155-L158 HydrophobicContact CG-CD1 4.36Å; F155-L158 PolarHBondContact O-N 3.2Å; S156-L158 VanDerWaalsContact C-N 3.29Å; S156-L158 PolarHBondContact O-N 2.96Å; L158-E160 VanDerWaalsContact C-N 3.29Å; L158-E160 PolarHBondContact O-N 3.34Å; L158-E161 PolarHBondContact O-N 2.85Å; L158-Y168 WeakPolarHBondContact CD1-OH 3.25Å; L158-Y168 HydrophobicContact CD2-CE1 3.84Å; L158-Y168 WeakPolarHBondContact CD2-OH 3.43Å
159	E	87.7	Confident	89.7	Confident	139 Å²	139	53.3 Å²	53.3	65%	0.65	29%	0.291	S	S	*	.	H	α-helix	trans	-69.7	-27.9	-179.9	-68.1	-175.5	167.2	0	0	112.5	R154 F155 S156	R154-E159 VanDerWaalsContact CB-OE1 3.27Å; R154-E159 WeakPolarHBondContact CB-OE1 3.43Å; F155-E159 PolarHBondContact O-N 3.49Å; S156-E159 PolarHBondContact O-N 2.9Å
160	E	86.4	Confident	90.2	Very high	175 Å²	175	52.3 Å²	52.3	82%	0.818	28%	0.281	S	S	*	.	S	Bend	trans	-85.5	-14.2	177.9	-61.5	-175.7	173.7	0	0	113.1	L158	L158-E160 VanDerWaalsContact C-N 3.29Å; L158-E160 PolarHBondContact O-N 3.34Å
161	E	92.1	Very high	90.9	Very high	31 Å²	31	49.9 Å²	49.9	15%	0.145	27%	0.268	C	S	.	.	S	Bend	trans	-82.5	136.2	-176.2	-72.7	-68.6	156.9	0	0	112.4	I122 L158 C163 Y168 R170	I122-E161 HydrophobicContact CD1-CG 4.11Å; L158-E161 PolarHBondContact O-N 2.85Å; E161-C163 PolarHBondContact O-N 2.98Å; E161-C163 VanDerWaalsContact O-N 3.12Å; E161-Y168 HydrophobicContact CB-CD1 3.99Å; E161-Y168 HydrophobicContact CB-CE1 4.33Å; E161-R170 IonicContact OE1-CZ 3.88Å; E161-R170 VanDerWaalsContact OE1-CZ 3.27Å; E161-R170 IonicContact OE1-NE 2.83Å; E161-R170 PolarHBondContact OE1-NE 3.33Å; E161-R170 IonicContact OE1-NH2 3.61Å; E161-R170 PolarHBondContact OE1-NH2 3.02Å; E161-R170 IonicContact OE2-CZ 3.54Å; E161-R170 IonicContact OE2-NE 2.78Å; E161-R170 PolarHBondContact OE2-NE 2.67Å; E161-R170 IonicContact OE2-NH2 2.65Å; E161-R170 PolarHBondContact OE2-NH2 3.46Å
162	F	92.8	Very high	91.9	Very high	29 Å²	29	46.7 Å²	46.7	13%	0.127	25%	0.245	C	C	.	.			trans	-77.5	101.6	172.7	-177.3	-146.5	0	0	0	110.3	L164 V169 Y193 R203 V206 A207	F162-L164 HydrophobicContact CE1-CD1 4.48Å; F162-L164 HydrophobicContact CE2-CD1 4.14Å; F162-L164 HydrophobicContact CE2-CD2 3.76Å; F162-L164 HydrophobicContact CE2-CG 3.74Å; F162-L164 HydrophobicContact CZ-CD1 3.73Å; F162-L164 HydrophobicContact CZ-CD2 4.16Å; F162-L164 HydrophobicContact CZ-CG 3.87Å; F162-V169 HydrophobicContact CD1-CB 3.8Å; F162-V169 HydrophobicContact CD1-CG1 4.23Å; F162-V169 HydrophobicContact CD1-CG2 3.81Å; F162-V169 HydrophobicContact CE1-CB 4.14Å; F162-V169 HydrophobicContact CE1-CG1 4.2Å; F162-V169 HydrophobicContact CE1-CG2 3.89Å; F162-V169 HydrophobicContact CG-CB 4.44Å; F162-V169 HydrophobicContact CG-CG2 4.21Å; F162-V169 HydrophobicContact CZ-CG2 4.36Å; F162-V169 PolarHBondContact O-N 3.45Å; F162-Y193 HydrophobicContact CE1-CE1 4.33Å; F162-Y193 HydrophobicContact CE2-CD2 4.13Å; F162-Y193 HydrophobicContact CE2-CE1 4.3Å; F162-Y193 AromaticContact CE2-CE2 3.77Å; F162-Y193 HydrophobicContact CE2-CE2 3.77Å; F162-Y193 AromaticContact CE2-CZ 3.87Å; F162-Y193 AromaticContact CZ-CD1 3.85Å; F162-Y193 HydrophobicContact CZ-CD1 3.85Å; F162-Y193 HydrophobicContact CZ-CD2 4.12Å; F162-Y193 AromaticContact CZ-CE1 3.58Å; F162-Y193 HydrophobicContact CZ-CE1 3.58Å; F162-Y193 AromaticContact CZ-CE2 3.88Å; F162-Y193 HydrophobicContact CZ-CE2 3.88Å; F162-Y193 HydrophobicContact CZ-CG 4.12Å; F162-Y193 AromaticContact CZ-CZ 3.61Å; F162-R203 HydrophobicContact CE1-CB 4.46Å; F162-V206 HydrophobicContact CD1-CG1 4.42Å; F162-A207 HydrophobicContact CE1-CB 4.18Å; F162-A207 HydrophobicContact CZ-CB 4.44Å
163	C	92.8	Very high	92.5	Very high	48 Å²	48	45.9 Å²	45.9	32%	0.324	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.4	179.7	-169.4	0	0	0	0	110.4	E161 V167 Y168	E161-C163 PolarHBondContact O-N 2.98Å; E161-C163 VanDerWaalsContact O-N 3.12Å; C163-V167 WeakPolarHBondContact CA-O 3.27Å; C163-V167 PolarHBondContact SG-O 3.01Å; C163-Y168 HydrophobicContact CB-CD1 3.94Å; C163-Y168 HydrophobicContact CB-CE1 4.11Å
164	L	93	Very high	92.9	Very high	18 Å²	18	52.9 Å²	52.9	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.1	172.2	-68	176.2	0	0	0	108.5	F162 D166 V167 V169 F186 E189 L190 Y193	F162-L164 HydrophobicContact CE1-CD1 4.48Å; F162-L164 HydrophobicContact CE2-CD1 4.14Å; F162-L164 HydrophobicContact CE2-CD2 3.76Å; F162-L164 HydrophobicContact CE2-CG 3.74Å; F162-L164 HydrophobicContact CZ-CD1 3.73Å; F162-L164 HydrophobicContact CZ-CD2 4.16Å; F162-L164 HydrophobicContact CZ-CG 3.87Å; L164-D166 PolarHBondContact O-N 3.21Å; L164-D166 VanDerWaalsContact O-N 3.17Å; L164-V167 PolarHBondContact N-O 3.36Å; L164-V167 PolarHBondContact O-N 3.16Å; L164-V167 VanDerWaalsContact O-N 3.11Å; L164-V169 HydrophobicContact CB-CG2 4.33Å; L164-V169 HydrophobicContact CD1-CG2 4.14Å; L164-V169 HydrophobicContact CG-CG2 4.09Å; L164-F186 HydrophobicContact CB-CD2 4.37Å; L164-F186 HydrophobicContact CB-CE2 4.06Å; L164-E189 HydrophobicContact CB-CB 4.25Å; L164-L190 HydrophobicContact CD1-CD2 3.6Å; L164-L190 HydrophobicContact CD1-CG 4.16Å; L164-Y193 HydrophobicContact CD1-CG 4.29Å; L164-Y193 HydrophobicContact CD2-CD2 4Å; L164-Y193 HydrophobicContact CD2-CG 4.27Å
165	G	87.5	Confident	93.2	Very high	55 Å²	55	51.2 Å²	51.2	57%	0.567	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-112.9	-166.7	0	0	0	0	0	111.1
166	D	88.9	Confident	93.3	Very high	43 Å²	43	52.6 Å²	52.6	23%	0.23	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	19.7	177.3	69	-23.8	0	0	0	112.8	R120 L164	R120-D166 WeakPolarHBondContact CA-O 3.44Å; R120-D166 IonicContact CZ-OD2 2.67Å; R120-D166 IonicContact NE-OD2 3.06Å; R120-D166 PolarHBondContact NE-OD2 3.03Å; R120-D166 IonicContact NH2-OD2 3.63Å; R120-D166 PolarHBondContact NH2-OD2 3.41Å; L164-D166 PolarHBondContact O-N 3.21Å; L164-D166 VanDerWaalsContact O-N 3.17Å
167	V	95.6	Very high	93.4	Very high	1 Å²	1	58 Å²	58	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.6	-175.5	-175.1	0	0	0	0	111.6	P119 R120 C163 L164 V169 Y172 L180 F186	P119-V167 HydrophobicContact CB-CG1 4.21Å; P119-V167 CarbonylContact O-C 3.36Å; P119-V167 VanDerWaalsContact O-CA 3.27Å; P119-V167 WeakPolarHBondContact O-CA 3.36Å; R120-V167 HydrophobicContact CG-CG2 4.46Å; C163-V167 WeakPolarHBondContact CA-O 3.27Å; C163-V167 PolarHBondContact SG-O 3.01Å; L164-V167 PolarHBondContact N-O 3.36Å; L164-V167 PolarHBondContact O-N 3.16Å; L164-V167 VanDerWaalsContact O-N 3.11Å; V167-V169 PolarHBondContact O-N 3.36Å; V167-Y172 HydrophobicContact CG1-CG 4.34Å; V167-L180 HydrophobicContact CG1-CD2 4.17Å; V167-L180 HydrophobicContact CG2-CD2 3.85Å; V167-F186 HydrophobicContact CB-CD2 3.61Å; V167-F186 HydrophobicContact CB-CE2 3.51Å; V167-F186 HydrophobicContact CB-CG 4.21Å; V167-F186 HydrophobicContact CB-CZ 4.02Å; V167-F186 HydrophobicContact CG1-CD1 4.42Å; V167-F186 HydrophobicContact CG1-CD2 4.1Å; V167-F186 HydrophobicContact CG1-CE1 4Å; V167-F186 HydrophobicContact CG1-CE2 3.66Å; V167-F186 HydrophobicContact CG1-CG 4.46Å; V167-F186 HydrophobicContact CG1-CZ 3.6Å; V167-F186 HydrophobicContact CG2-CB 4.31Å; V167-F186 HydrophobicContact CG2-CD1 4.49Å; V167-F186 HydrophobicContact CG2-CD2 3.76Å; V167-F186 HydrophobicContact CG2-CE2 4.17Å; V167-F186 HydrophobicContact CG2-CG 3.95Å
168	Y	95.8	Very high	93.6	Very high	17 Å²	17	57.1 Å²	57.1	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	101.8	171	-57.5	-74.1	0	0	0	110	P119 I122 L158 E161 C163 R170 I171 Y172	P119-Y168 WeakPolarHBondContact O-CD2 3.3Å; P119-Y168 PolarHBondContact O-N 2.87Å; I122-Y168 HydrophobicContact CB-CE2 4.39Å; I122-Y168 HydrophobicContact CD1-CD1 3.64Å; I122-Y168 HydrophobicContact CD1-CD2 3.74Å; I122-Y168 HydrophobicContact CD1-CE1 3.82Å; I122-Y168 HydrophobicContact CD1-CE2 3.94Å; I122-Y168 HydrophobicContact CD1-CG 3.59Å; I122-Y168 HydrophobicContact CG1-CD2 3.75Å; I122-Y168 HydrophobicContact CG1-CE2 3.79Å; I122-Y168 HydrophobicContact CG1-CG 4.14Å; L158-Y168 WeakPolarHBondContact CD1-OH 3.25Å; L158-Y168 HydrophobicContact CD2-CE1 3.84Å; L158-Y168 WeakPolarHBondContact CD2-OH 3.43Å; E161-Y168 HydrophobicContact CB-CD1 3.99Å; E161-Y168 HydrophobicContact CB-CE1 4.33Å; C163-Y168 HydrophobicContact CB-CD1 3.94Å; C163-Y168 HydrophobicContact CB-CE1 4.11Å; Y168-R170 VanDerWaalsContact C-N 3.32Å; Y168-R170 PolarHBondContact O-N 3.37Å; Y168-I171 PolarHBondContact O-N 3.2Å; Y168-Y172 PolarHBondContact O-N 3.09Å
169	V	96.1	Very high	93.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-41.1	-166.7	-171	0	0	0	0	111.7	F162 L164 V167 I171 Y172 N173 F186 V206 A210	F162-V169 HydrophobicContact CD1-CB 3.8Å; F162-V169 HydrophobicContact CD1-CG1 4.23Å; F162-V169 HydrophobicContact CD1-CG2 3.81Å; F162-V169 HydrophobicContact CE1-CB 4.14Å; F162-V169 HydrophobicContact CE1-CG1 4.2Å; F162-V169 HydrophobicContact CE1-CG2 3.89Å; F162-V169 HydrophobicContact CG-CB 4.44Å; F162-V169 HydrophobicContact CG-CG2 4.21Å; F162-V169 HydrophobicContact CZ-CG2 4.36Å; F162-V169 PolarHBondContact O-N 3.45Å; L164-V169 HydrophobicContact CB-CG2 4.33Å; L164-V169 HydrophobicContact CD1-CG2 4.14Å; L164-V169 HydrophobicContact CG-CG2 4.09Å; V167-V169 PolarHBondContact O-N 3.36Å; V169-I171 VanDerWaalsContact C-N 3.33Å; V169-I171 PolarHBondContact O-N 3.18Å; V169-Y172 PolarHBondContact O-N 3.46Å; V169-N173 PolarHBondContact O-N 3.25Å; V169-F186 HydrophobicContact CG2-CE2 4.21Å; V169-F186 HydrophobicContact CG2-CZ 4.31Å; V169-V206 HydrophobicContact CB-CG1 4.36Å; V169-V206 HydrophobicContact CG1-CG1 3.79Å; V169-A210 HydrophobicContact CG1-CB 3.46Å; V169-A210 VanDerWaalsContact CG1-CB 3.46Å
170	R	95.6	Very high	94	Very high	75 Å²	75	56.2 Å²	56.2	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-56.8	-44.5	176.1	179.2	-178.5	68.8	113	6.7	112.5	E161 Y168 R174	E161-R170 IonicContact OE1-CZ 3.88Å; E161-R170 VanDerWaalsContact OE1-CZ 3.27Å; E161-R170 IonicContact OE1-NE 2.83Å; E161-R170 PolarHBondContact OE1-NE 3.33Å; E161-R170 IonicContact OE1-NH2 3.61Å; E161-R170 PolarHBondContact OE1-NH2 3.02Å; E161-R170 IonicContact OE2-CZ 3.54Å; E161-R170 IonicContact OE2-NE 2.78Å; E161-R170 PolarHBondContact OE2-NE 2.67Å; E161-R170 IonicContact OE2-NH2 2.65Å; E161-R170 PolarHBondContact OE2-NH2 3.46Å; Y168-R170 VanDerWaalsContact C-N 3.32Å; Y168-R170 PolarHBondContact O-N 3.37Å; R170-R174 WeakPolarHBondContact O-CG 3.37Å; R170-R174 PolarHBondContact O-N 2.95Å
171	I	96.4	Very high	94.2	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-74.6	-37.8	-178.6	-57.4	177.5	0	0	0	109.8	E117 P119 I122 Y168 V169 N173 R174 Q175	E117-I171 HydrophobicContact CB-CD1 4.25Å; E117-I171 HydrophobicContact CG-CD1 4.44Å; P119-I171 HydrophobicContact CG-CG2 4.09Å; I122-I171 HydrophobicContact CD1-CD1 3.48Å; I122-I171 VanDerWaalsContact CD1-CD1 3.48Å; I122-I171 HydrophobicContact CG1-CD1 3.49Å; I122-I171 VanDerWaalsContact CG1-CD1 3.49Å; Y168-I171 PolarHBondContact O-N 3.2Å; V169-I171 VanDerWaalsContact C-N 3.33Å; V169-I171 PolarHBondContact O-N 3.18Å; I171-N173 PolarHBondContact O-N 3.36Å; I171-R174 PolarHBondContact O-N 2.97Å; I171-Q175 PolarHBondContact O-N 2.52Å
172	Y	97.7	Very high	94.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-46.2	174.3	-176.2	-105.8	0	0	0	112.2	P119 V167 Y168 V169 R174 Q175 P176 L180 F186 A210 N213 V214	P119-Y172 HydrophobicContact CB-CD2 4.15Å; P119-Y172 HydrophobicContact CG-CD2 4.22Å; V167-Y172 HydrophobicContact CG1-CG 4.34Å; Y168-Y172 PolarHBondContact O-N 3.09Å; V169-Y172 PolarHBondContact O-N 3.46Å; Y172-R174 VanDerWaalsContact C-N 3.26Å; Y172-R174 PolarHBondContact O-N 2.93Å; Y172-Q175 CarbonylContact O-C 3.54Å; Y172-Q175 WeakPolarHBondContact O-CA 3.39Å; Y172-Q175 PolarHBondContact O-N 3.02Å; Y172-P176 VanDerWaalsContact O-CA 3.28Å; Y172-P176 WeakPolarHBondContact O-CA 3.2Å; Y172-L180 HydrophobicContact CD2-CD1 4.45Å; Y172-L180 HydrophobicContact CD2-CD2 4.02Å; Y172-L180 HydrophobicContact CD2-CG 4.43Å; Y172-L180 HydrophobicContact CE2-CD1 3.75Å; Y172-L180 HydrophobicContact CE2-CD2 3.97Å; Y172-L180 HydrophobicContact CE2-CG 3.87Å; Y172-F186 AromaticContact CD1-CE1 3.84Å; Y172-F186 HydrophobicContact CD1-CE1 3.84Å; Y172-F186 HydrophobicContact CD1-CZ 4.35Å; Y172-F186 AromaticContact CE1-CE1 3.97Å; Y172-F186 HydrophobicContact CE1-CE1 3.97Å; Y172-F186 HydrophobicContact CG-CE1 4.25Å; Y172-A210 HydrophobicContact CD1-CB 4.23Å; Y172-N213 HydrophobicContact CE1-CB 3.77Å; Y172-V214 HydrophobicContact CE1-CG2 3.73Å; Y172-V214 WeakPolarHBondContact OH-CG2 3.46Å
173	N	96.8	Very high	94.2	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-32.9	177.3	-71.3	-6.6	0	0	0	112.9	V169 I171 Q175 V206 E209 A210 N213	V169-N173 PolarHBondContact O-N 3.25Å; I171-N173 PolarHBondContact O-N 3.36Å; N173-Q175 VanDerWaalsContact C-N 3.35Å; N173-V206 PolarHBondContact ND2-O 3.49Å; N173-E209 HydrophobicContact CB-CG 4.35Å; N173-E209 WeakPolarHBondContact ND2-CB 3.35Å; N173-E209 PolarHBondContact ND2-OE2 2.89Å; N173-A210 WeakPolarHBondContact OD1-CA 3.27Å; N173-A210 VanDerWaalsContact OD1-CB 3.25Å; N173-A210 WeakPolarHBondContact OD1-CB 3.44Å; N173-A210 PolarHBondContact OD1-N 3.01Å; N173-N213 PolarHBondContact OD1-ND2 2.95Å
174	R	97.1	Very high	94.2	Very high	169 Å²	169	61.4 Å²	61.4	64%	0.638	29%	0.292	S	S	*	.	H	α-helix	trans	-73.7	-25.9	172.7	-69.6	178	177.9	180	-1.1	113.2	R170 I171 Y172 P176	R170-R174 WeakPolarHBondContact O-CG 3.37Å; R170-R174 PolarHBondContact O-N 2.95Å; I171-R174 PolarHBondContact O-N 2.97Å; Y172-R174 VanDerWaalsContact C-N 3.26Å; Y172-R174 PolarHBondContact O-N 2.93Å; R174-P176 VanDerWaalsContact C-CD 3.46Å
175	Q	96.5	Very high	94.3	Very high	76 Å²	76	63.8 Å²	63.8	36%	0.355	31%	0.305	S	S	.	.	S	Bend	trans	-128.3	59.1	-176.9	-56.4	-178.5	25	0	0	111.2	E117 P119 I171 Y172 N173 K177 Y178	E117-Q175 PolarHBondContact O-NE2 2.64Å; E117-Q175 VanDerWaalsContact O-NE2 3.15Å; P119-Q175 HydrophobicContact CG-CB 4.27Å; I171-Q175 PolarHBondContact O-N 2.52Å; Y172-Q175 CarbonylContact O-C 3.54Å; Y172-Q175 WeakPolarHBondContact O-CA 3.39Å; Y172-Q175 PolarHBondContact O-N 3.02Å; N173-Q175 VanDerWaalsContact C-N 3.35Å; Q175-K177 PolarHBondContact O-N 3.16Å; Q175-Y178 VanDerWaalsContact O-CB 3.27Å; Q175-Y178 WeakPolarHBondContact O-CB 3.45Å; Q175-Y178 PolarHBondContact O-N 3.01Å
176	P	95.1	Very high	94.6	Very high	37 Å²	37	61.4 Å²	61.4	24%	0.24	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.3	-167.4	27.2	-36	0	0	0	113.5	Y172 R174 Y178 N213 N217	Y172-P176 VanDerWaalsContact O-CA 3.28Å; Y172-P176 WeakPolarHBondContact O-CA 3.2Å; R174-P176 VanDerWaalsContact C-CD 3.46Å; P176-Y178 VanDerWaalsContact C-N 3.27Å; P176-Y178 PolarHBondContact O-N 2.75Å; P176-N213 HydrophobicContact CB-CB 3.98Å; P176-N217 PolarHBondContact O-ND2 3.32Å; P176-N217 VanDerWaalsContact O-ND2 3.1Å
177	K	95.4	Very high	94.9	Very high	180 Å²	180	59.3 Å²	59.3	78%	0.783	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	1.3	176.6	-62.3	-174.7	178.5	-178.6	0	113.5	Q175 I179	Q175-K177 PolarHBondContact O-N 3.16Å; K177-I179 PolarHBondContact O-N 3.04Å
178	Y	95.4	Very high	94.7	Very high	53 Å²	53	62.3 Å²	62.3	21%	0.208	28%	0.282	C	S	.	.			trans	-64.4	131	177.1	-177	-88.5	0	0	0	110.5	T118 P119 R120 Q175 P176 L180 Y218	T118-Y178 HydrophobicContact CG2-CE2 4.37Å; P119-Y178 HydrophobicContact CB-CD1 3.88Å; P119-Y178 HydrophobicContact CB-CE1 4.23Å; P119-Y178 HydrophobicContact CB-CG 4.13Å; P119-Y178 HydrophobicContact CG-CD1 3.88Å; P119-Y178 HydrophobicContact CG-CD2 4.04Å; P119-Y178 HydrophobicContact CG-CG 3.59Å; R120-Y178 HydrophobicContact CB-CE1 4.5Å; R120-Y178 HydrophobicContact CG-CE1 3.9Å; Q175-Y178 VanDerWaalsContact O-CB 3.27Å; Q175-Y178 WeakPolarHBondContact O-CB 3.45Å; Q175-Y178 PolarHBondContact O-N 3.01Å; P176-Y178 VanDerWaalsContact C-N 3.27Å; P176-Y178 PolarHBondContact O-N 2.75Å; Y178-L180 HydrophobicContact CD1-CD2 4.05Å; Y178-L180 HydrophobicContact CE1-CD2 4.42Å; Y178-L180 PolarHBondContact O-N 3.47Å; Y178-Y218 PolarHBondContact O-OH 3.14Å
179	I	94	Very high	94.6	Very high	143 Å²	143	64.7 Å²	64.7	73%	0.733	29%	0.294	S	S	*	.			trans	-78.6	109.2	-178.8	-57.4	175	0	0	0	108.5	K177	K177-I179 PolarHBondContact O-N 3.04Å
180	L	93.4	Very high	94.6	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.052	29%	0.294	C	S	.	.			trans	-75.4	143.2	178.7	-64.6	173.4	0	0	0	110.3	V167 Y172 Y178 P183 F186 V214 Y218	V167-L180 HydrophobicContact CG1-CD2 4.17Å; V167-L180 HydrophobicContact CG2-CD2 3.85Å; Y172-L180 HydrophobicContact CD2-CD1 4.45Å; Y172-L180 HydrophobicContact CD2-CD2 4.02Å; Y172-L180 HydrophobicContact CD2-CG 4.43Å; Y172-L180 HydrophobicContact CE2-CD1 3.75Å; Y172-L180 HydrophobicContact CE2-CD2 3.97Å; Y172-L180 HydrophobicContact CE2-CG 3.87Å; Y178-L180 HydrophobicContact CD1-CD2 4.05Å; Y178-L180 HydrophobicContact CE1-CD2 4.42Å; Y178-L180 PolarHBondContact O-N 3.47Å; L180-P183 HydrophobicContact CB-CB 4.18Å; L180-P183 HydrophobicContact CD1-CB 4.25Å; L180-F186 HydrophobicContact CD1-CB 4.41Å; L180-F186 HydrophobicContact CD1-CD1 3.62Å; L180-F186 HydrophobicContact CD1-CE1 4.32Å; L180-F186 HydrophobicContact CD1-CG 4.36Å; L180-V214 HydrophobicContact CD1-CG2 4.41Å; L180-Y218 HydrophobicContact CD1-CE2 4.12Å; L180-Y218 PolarHBondContact N-OH 2.96Å
181	K	89.4	Confident	94.3	Very high	125 Å²	125	61.2 Å²	61.2	54%	0.543	28%	0.281	S	S	.	.	S	Bend	trans	-65.2	-43.5	175.8	179.3	-178.1	178.2	-172.1	0	111.3	D98	D98-K181 IonicContact OD1-NZ 3.47Å; D98-K181 PolarHBondContact OD1-NZ 3.07Å; D98-K181 WeakPolarHBondContact OD2-CD 3.46Å; D98-K181 IonicContact OD2-NZ 3.91Å; D98-K181 PolarHBondContact OD2-NZ 3.18Å
182	D	91.6	Very high	94	Very high	85 Å²	85	64.4 Å²	64.4	46%	0.455	30%	0.298	S	S	.	.			trans	-135.9	82.9	176.6	-168.4	-17.6	0	0	0	110.1	R184 N185 F186	D182-R184 PolarHBondContact O-N 3.32Å; D182-R184 PolarHBondContact OD1-N 3.41Å; D182-N185 HydrophobicContact CB-CB 4.07Å; D182-N185 VanDerWaalsContact CG-CB 3.45Å; D182-N185 PolarHBondContact O-N 2.92Å; D182-N185 PolarHBondContact OD1-N 3.41Å; D182-N185 WeakPolarHBondContact OD2-CB 2.96Å; D182-F186 PolarHBondContact O-N 3.3Å
183	P	94	Very high	93.7	Very high	30 Å²	30	66.2 Å²	66.2	20%	0.195	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-28.1	-179.3	25.8	-34.1	0	0	0	112.2	L180 F187 Y218 L221	L180-P183 HydrophobicContact CB-CB 4.18Å; L180-P183 HydrophobicContact CD1-CB 4.25Å; P183-F187 WeakPolarHBondContact O-CB 3.22Å; P183-F187 PolarHBondContact O-N 3.31Å; P183-Y218 HydrophobicContact CB-CD1 3.73Å; P183-Y218 HydrophobicContact CB-CD2 3.89Å; P183-Y218 HydrophobicContact CB-CE1 3.73Å; P183-Y218 HydrophobicContact CB-CE2 3.91Å; P183-Y218 HydrophobicContact CB-CG 3.81Å; P183-Y218 HydrophobicContact CG-CD1 3.74Å; P183-Y218 HydrophobicContact CG-CE1 3.76Å; P183-Y218 HydrophobicContact CG-CG 4.28Å; P183-L221 HydrophobicContact CB-CD1 4.4Å
184	R	93.1	Very high	93.4	Very high	152 Å²	152	65.6 Å²	65.6	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-69.3	-45.5	178.6	-178.2	179.7	-177.8	179.1	-0.7	111	D182 F187 M188 L221 Q224	D182-R184 PolarHBondContact O-N 3.32Å; D182-R184 PolarHBondContact OD1-N 3.41Å; R184-F187 WeakPolarHBondContact O-CB 3.46Å; R184-F187 PolarHBondContact O-N 3.04Å; R184-M188 WeakPolarHBondContact O-CG 3.28Å; R184-M188 PolarHBondContact O-N 3.43Å; R184-L221 HydrophobicContact CB-CD2 4.29Å; R184-L221 HydrophobicContact CG-CD2 4.44Å; R184-Q224 VanDerWaalsContact NE-NE2 3.14Å
185	N	94	Very high	92.7	Very high	69 Å²	69	58.3 Å²	58.3	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-47.5	178.1	-171.7	71.4	0	0	0	111.2	D182 F187 M188 E189	D182-N185 HydrophobicContact CB-CB 4.07Å; D182-N185 VanDerWaalsContact CG-CB 3.45Å; D182-N185 PolarHBondContact O-N 2.92Å; D182-N185 PolarHBondContact OD1-N 3.41Å; D182-N185 WeakPolarHBondContact OD2-CB 2.96Å; N185-F187 VanDerWaalsContact C-N 3.29Å; N185-F187 PolarHBondContact O-N 2.82Å; N185-M188 PolarHBondContact O-N 3.46Å; N185-M188 VanDerWaalsContact O-N 3.1Å; N185-E189 WeakPolarHBondContact O-CG 3.29Å; N185-E189 PolarHBondContact O-N 3.12Å
186	F	95.6	Very high	92.1	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-40.1	177.7	-179.1	-123.7	0	0	0	112.5	L164 V167 V169 Y172 L180 D182 M188 E189 L190 A210 V214	L164-F186 HydrophobicContact CB-CD2 4.37Å; L164-F186 HydrophobicContact CB-CE2 4.06Å; V167-F186 HydrophobicContact CB-CD2 3.61Å; V167-F186 HydrophobicContact CB-CE2 3.51Å; V167-F186 HydrophobicContact CB-CG 4.21Å; V167-F186 HydrophobicContact CB-CZ 4.02Å; V167-F186 HydrophobicContact CG1-CD1 4.42Å; V167-F186 HydrophobicContact CG1-CD2 4.1Å; V167-F186 HydrophobicContact CG1-CE1 4Å; V167-F186 HydrophobicContact CG1-CE2 3.66Å; V167-F186 HydrophobicContact CG1-CG 4.46Å; V167-F186 HydrophobicContact CG1-CZ 3.6Å; V167-F186 HydrophobicContact CG2-CB 4.31Å; V167-F186 HydrophobicContact CG2-CD1 4.49Å; V167-F186 HydrophobicContact CG2-CD2 3.76Å; V167-F186 HydrophobicContact CG2-CE2 4.17Å; V167-F186 HydrophobicContact CG2-CG 3.95Å; V169-F186 HydrophobicContact CG2-CE2 4.21Å; V169-F186 HydrophobicContact CG2-CZ 4.31Å; Y172-F186 AromaticContact CD1-CE1 3.84Å; Y172-F186 HydrophobicContact CD1-CE1 3.84Å; Y172-F186 HydrophobicContact CD1-CZ 4.35Å; Y172-F186 AromaticContact CE1-CE1 3.97Å; Y172-F186 HydrophobicContact CE1-CE1 3.97Å; Y172-F186 HydrophobicContact CG-CE1 4.25Å; L180-F186 HydrophobicContact CD1-CB 4.41Å; L180-F186 HydrophobicContact CD1-CD1 3.62Å; L180-F186 HydrophobicContact CD1-CE1 4.32Å; L180-F186 HydrophobicContact CD1-CG 4.36Å; D182-F186 PolarHBondContact O-N 3.3Å; F186-M188 PolarHBondContact O-N 3.48Å; F186-E189 PolarHBondContact O-N 2.9Å; F186-L190 HydrophobicContact CD1-CD1 3.92Å; F186-L190 HydrophobicContact CD2-CG 4.47Å; F186-L190 HydrophobicContact CE1-CD1 3.61Å; F186-L190 HydrophobicContact CE1-CG 4.4Å; F186-L190 HydrophobicContact CE2-CD1 4.23Å; F186-L190 HydrophobicContact CE2-CD2 4.39Å; F186-L190 HydrophobicContact CE2-CG 4.14Å; F186-L190 HydrophobicContact CG-CD1 4.38Å; F186-L190 HydrophobicContact CZ-CD1 3.77Å; F186-L190 HydrophobicContact CZ-CD2 4.22Å; F186-L190 HydrophobicContact CZ-CG 4.1Å; F186-L190 WeakPolarHBondContact O-CG 3.33Å; F186-L190 PolarHBondContact O-N 3.05Å; F186-A210 HydrophobicContact CZ-CB 4.31Å; F186-V214 HydrophobicContact CD1-CG2 3.69Å; F186-V214 HydrophobicContact CE1-CG2 3.81Å
187	F	94	Very high	90.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-45.1	173	178	-93.1	0	0	0	112.9	P183 R184 N185 L190 L191 L211 V214 L215 L221 Q224 C225	P183-F187 WeakPolarHBondContact O-CB 3.22Å; P183-F187 PolarHBondContact O-N 3.31Å; R184-F187 WeakPolarHBondContact O-CB 3.46Å; R184-F187 PolarHBondContact O-N 3.04Å; N185-F187 VanDerWaalsContact C-N 3.29Å; N185-F187 PolarHBondContact O-N 2.82Å; F187-L190 WeakPolarHBondContact O-CB 3.44Å; F187-L190 PolarHBondContact O-N 3.09Å; F187-L191 HydrophobicContact CD1-CD1 3.9Å; F187-L191 HydrophobicContact CE1-CD1 3.35Å; F187-L191 HydrophobicContact CE1-CG 4.27Å; F187-L191 HydrophobicContact CZ-CD1 3.87Å; F187-L191 PolarHBondContact O-N 3.02Å; F187-L191 VanDerWaalsContact O-N 3.07Å; F187-L211 HydrophobicContact CD2-CD1 3.42Å; F187-L211 VanDerWaalsContact CD2-CD1 3.42Å; F187-L211 HydrophobicContact CE2-CD1 3.48Å; F187-L211 VanDerWaalsContact CE2-CD1 3.48Å; F187-L211 HydrophobicContact CE2-CG 4.46Å; F187-L211 HydrophobicContact CG-CD1 4.25Å; F187-L211 HydrophobicContact CZ-CD1 4.35Å; F187-V214 HydrophobicContact CB-CG1 4.11Å; F187-V214 HydrophobicContact CD2-CG1 3.85Å; F187-V214 HydrophobicContact CG-CG1 4.45Å; F187-L215 HydrophobicContact CE2-CD1 4.49Å; F187-L215 HydrophobicContact CE2-CD2 3.59Å; F187-L215 HydrophobicContact CE2-CG 3.95Å; F187-L215 HydrophobicContact CZ-CD2 4.2Å; F187-L221 HydrophobicContact CB-CD1 4.21Å; F187-L221 HydrophobicContact CD2-CB 4.34Å; F187-L221 HydrophobicContact CD2-CD1 4.33Å; F187-L221 HydrophobicContact CE2-CB 4.24Å; F187-L221 HydrophobicContact CG-CD1 4.31Å; F187-L221 HydrophobicContact CZ-CB 4.4Å; F187-L221 WeakPolarHBondContact CZ-O 3.5Å; F187-Q224 HydrophobicContact CD1-CB 4.37Å; F187-Q224 HydrophobicContact CE1-CB 3.61Å; F187-Q224 HydrophobicContact CZ-CB 4.34Å; F187-C225 HydrophobicContact CZ-CB 4.2Å; F187-C225 WeakPolarHBondContact CZ-SG 3.42Å
188	M	92.3	Very high	89.2	Confident	63 Å²	63	56.2 Å²	56.2	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-68	-38.7	178.6	-67.2	-62.2	-60.5	0	0	112.4	R184 N185 F186 L190 L191 D192 H228	R184-M188 WeakPolarHBondContact O-CG 3.28Å; R184-M188 PolarHBondContact O-N 3.43Å; N185-M188 PolarHBondContact O-N 3.46Å; N185-M188 VanDerWaalsContact O-N 3.1Å; F186-M188 PolarHBondContact O-N 3.48Å; M188-L190 VanDerWaalsContact C-N 3.33Å; M188-L190 PolarHBondContact O-N 3.19Å; M188-L191 PolarHBondContact O-N 3.41Å; M188-L191 HydrophobicContact SD-CD1 4.44Å; M188-D192 WeakPolarHBondContact O-CB 3.39Å; M188-D192 PolarHBondContact O-N 2.94Å; M188-H228 VanDerWaalsContact CE-NE2 3.34Å; M188-H228 WeakPolarHBondContact CE-NE2 3.47Å
189	E	93.8	Very high	87.4	Confident	68 Å²	68	59.3 Å²	59.3	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-40.2	173.7	-69.1	-74.4	173.6	0	0	111.5	L164 N185 F186 D192 Y193	L164-E189 HydrophobicContact CB-CB 4.25Å; N185-E189 WeakPolarHBondContact O-CG 3.29Å; N185-E189 PolarHBondContact O-N 3.12Å; F186-E189 PolarHBondContact O-N 2.9Å; E189-D192 PolarHBondContact O-N 3.44Å; E189-Y193 WeakPolarHBondContact O-CB 3.14Å; E189-Y193 PolarHBondContact O-N 3.38Å
190	L	94.4	Very high	86.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-45.9	174.3	-74.7	165.2	0	0	0	111.7	L164 F186 F187 M188 Y193 L194 A207 A210 L211 V214	L164-L190 HydrophobicContact CD1-CD2 3.6Å; L164-L190 HydrophobicContact CD1-CG 4.16Å; F186-L190 HydrophobicContact CD1-CD1 3.92Å; F186-L190 HydrophobicContact CD2-CG 4.47Å; F186-L190 HydrophobicContact CE1-CD1 3.61Å; F186-L190 HydrophobicContact CE1-CG 4.4Å; F186-L190 HydrophobicContact CE2-CD1 4.23Å; F186-L190 HydrophobicContact CE2-CD2 4.39Å; F186-L190 HydrophobicContact CE2-CG 4.14Å; F186-L190 HydrophobicContact CG-CD1 4.38Å; F186-L190 HydrophobicContact CZ-CD1 3.77Å; F186-L190 HydrophobicContact CZ-CD2 4.22Å; F186-L190 HydrophobicContact CZ-CG 4.1Å; F186-L190 WeakPolarHBondContact O-CG 3.33Å; F186-L190 PolarHBondContact O-N 3.05Å; F187-L190 WeakPolarHBondContact O-CB 3.44Å; F187-L190 PolarHBondContact O-N 3.09Å; M188-L190 VanDerWaalsContact C-N 3.33Å; M188-L190 PolarHBondContact O-N 3.19Å; L190-Y193 PolarHBondContact O-N 2.95Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 2.99Å; L190-A207 HydrophobicContact CD2-CB 4.07Å; L190-A210 HydrophobicContact CD1-CB 4.06Å; L190-A210 HydrophobicContact CD2-CB 3.88Å; L190-L211 HydrophobicContact CB-CD1 4.06Å; L190-L211 HydrophobicContact CD1-CB 4.29Å; L190-L211 HydrophobicContact CD1-CD1 4.31Å; L190-V214 HydrophobicContact CD1-CG2 4.22Å
191	L	90.4	Very high	85.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-41.5	176.8	-72.2	176.2	0	0	0	112.1	F187 M188 L194 G195 L211 H228	F187-L191 HydrophobicContact CD1-CD1 3.9Å; F187-L191 HydrophobicContact CE1-CD1 3.35Å; F187-L191 HydrophobicContact CE1-CG 4.27Å; F187-L191 HydrophobicContact CZ-CD1 3.87Å; F187-L191 PolarHBondContact O-N 3.02Å; F187-L191 VanDerWaalsContact O-N 3.07Å; M188-L191 PolarHBondContact O-N 3.41Å; M188-L191 HydrophobicContact SD-CD1 4.44Å; L191-L194 PolarHBondContact O-N 2.92Å; L191-G195 PolarHBondContact O-N 3.29Å; L191-L211 HydrophobicContact CD2-CD1 4.26Å; L191-L211 HydrophobicContact CD2-CD2 3.78Å; L191-L211 HydrophobicContact CG-CD1 4.26Å; L191-H228 HydrophobicContact CD1-CB 3.92Å; L191-H228 HydrophobicContact CD2-CB 4.42Å
192	D	90	Very high	84.6	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-43	176.8	-177.3	64.3	0	0	0	111.6	M188 E189 G195 K196	M188-D192 WeakPolarHBondContact O-CB 3.39Å; M188-D192 PolarHBondContact O-N 2.94Å; E189-D192 PolarHBondContact O-N 3.44Å; D192-G195 PolarHBondContact O-N 2.94Å; D192-K196 VanDerWaalsContact CG-NZ 3.25Å; D192-K196 WeakPolarHBondContact O-CG 3.17Å; D192-K196 PolarHBondContact O-N 3.45Å; D192-K196 WeakPolarHBondContact OD1-CE 3.43Å; D192-K196 IonicContact OD1-NZ 3.27Å; D192-K196 PolarHBondContact OD1-NZ 3.39Å; D192-K196 VanDerWaalsContact OD1-NZ 3.07Å; D192-K196 WeakPolarHBondContact OD2-CE 3.34Å; D192-K196 IonicContact OD2-NZ 3.22Å; D192-K196 PolarHBondContact OD2-NZ 2.66Å
193	Y	91.5	Very high	84.4	Confident	38 Å²	38	63.9 Å²	63.9	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-48.9	175.4	-177.2	-95.5	0	0	0	112.1	F162 L164 E189 L190 G195 K196 S197 R203 A207	F162-Y193 HydrophobicContact CE1-CE1 4.33Å; F162-Y193 HydrophobicContact CE2-CD2 4.13Å; F162-Y193 HydrophobicContact CE2-CE1 4.3Å; F162-Y193 AromaticContact CE2-CE2 3.77Å; F162-Y193 HydrophobicContact CE2-CE2 3.77Å; F162-Y193 AromaticContact CE2-CZ 3.87Å; F162-Y193 AromaticContact CZ-CD1 3.85Å; F162-Y193 HydrophobicContact CZ-CD1 3.85Å; F162-Y193 HydrophobicContact CZ-CD2 4.12Å; F162-Y193 AromaticContact CZ-CE1 3.58Å; F162-Y193 HydrophobicContact CZ-CE1 3.58Å; F162-Y193 AromaticContact CZ-CE2 3.88Å; F162-Y193 HydrophobicContact CZ-CE2 3.88Å; F162-Y193 HydrophobicContact CZ-CG 4.12Å; F162-Y193 AromaticContact CZ-CZ 3.61Å; L164-Y193 HydrophobicContact CD1-CG 4.29Å; L164-Y193 HydrophobicContact CD2-CD2 4Å; L164-Y193 HydrophobicContact CD2-CG 4.27Å; E189-Y193 WeakPolarHBondContact O-CB 3.14Å; E189-Y193 PolarHBondContact O-N 3.38Å; L190-Y193 PolarHBondContact O-N 2.95Å; Y193-G195 PolarHBondContact O-N 3.3Å; Y193-K196 PolarHBondContact O-N 3.35Å; Y193-S197 WeakPolarHBondContact O-CB 3.5Å; Y193-S197 PolarHBondContact O-N 3.12Å; Y193-S197 VanDerWaalsContact O-N 3.13Å; Y193-S197 PolarHBondContact O-OG 3.19Å; Y193-R203 HydrophobicContact CE1-CB 4.25Å; Y193-R203 WeakPolarHBondContact OH-CB 3.34Å; Y193-R203 WeakPolarHBondContact OH-CD 3.23Å; Y193-A207 HydrophobicContact CD1-CB 3.87Å; Y193-A207 HydrophobicContact CE1-CB 4.16Å
194	L	89.4	Confident	84.1	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-33	177	-69.9	172	0	0	0	111.8	L190 L191 L204 A207 L211 V231 L235	L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 2.99Å; L191-L194 PolarHBondContact O-N 2.92Å; L194-L204 HydrophobicContact CD2-CD2 3.69Å; L194-A207 HydrophobicContact CD2-CB 3.88Å; L194-A207 HydrophobicContact CG-CB 4.35Å; L194-L211 HydrophobicContact CD1-CD2 3.78Å; L194-V231 HydrophobicContact CB-CG1 3.89Å; L194-L235 HydrophobicContact CB-CD1 4.29Å; L194-L235 HydrophobicContact CD1-CD1 4.34Å; L194-L235 HydrophobicContact CD2-CD1 4.11Å; L194-L235 HydrophobicContact CD2-CD2 4.43Å; L194-L235 HydrophobicContact CG-CD1 4.48Å
195	G	84.1	Confident	84	Confident	15 Å²	15	57 Å²	57	16%	0.155	30%	0.295	C	S	.	.	H	α-helix	trans	-75.4	-28.7	179.4	0	0	0	0	0	114.9	L191 D192 Y193 V231 R234	L191-G195 PolarHBondContact O-N 3.29Å; D192-G195 PolarHBondContact O-N 2.94Å; Y193-G195 PolarHBondContact O-N 3.3Å; G195-V231 VanDerWaalsContact CA-CG1 3.49Å; G195-R234 PolarHBondContact O-NH1 3.47Å
196	K	82.9	Confident	83.9	Confident	139 Å²	139	55.9 Å²	55.9	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-90.9	-31.3	-177.9	-73.6	172.5	177.7	165.7	0	113.8	D192 Y193 S198	D192-K196 VanDerWaalsContact CG-NZ 3.25Å; D192-K196 WeakPolarHBondContact O-CG 3.17Å; D192-K196 PolarHBondContact O-N 3.45Å; D192-K196 WeakPolarHBondContact OD1-CE 3.43Å; D192-K196 IonicContact OD1-NZ 3.27Å; D192-K196 PolarHBondContact OD1-NZ 3.39Å; D192-K196 VanDerWaalsContact OD1-NZ 3.07Å; D192-K196 WeakPolarHBondContact OD2-CE 3.34Å; D192-K196 IonicContact OD2-NZ 3.22Å; D192-K196 PolarHBondContact OD2-NZ 2.66Å; Y193-K196 PolarHBondContact O-N 3.35Å; K196-S198 PolarHBondContact O-N 2.98Å
197	S	68.7	Low	83.9	Confident	21 Å²	21	55.7 Å²	55.7	15%	0.147	29%	0.289	C	S	.	.			trans	-68.5	122.2	-168	-66.4	0	0	0	0	111.9	Y193	Y193-S197 WeakPolarHBondContact O-CB 3.5Å; Y193-S197 PolarHBondContact O-N 3.12Å; Y193-S197 VanDerWaalsContact O-N 3.13Å; Y193-S197 PolarHBondContact O-OG 3.19Å
198	S	61.1	Low	83.8	Confident	90 Å²	90	55.7 Å²	55.7	63%	0.629	29%	0.289	S	S	*	.	S	Bend	trans	-107.3	-7.7	-176.5	57.2	0	0	0	0	115.4	K196	K196-S198 PolarHBondContact O-N 2.98Å
199	V	58.7	Low	83.9	Confident	118 Å²	118	56 Å²	56	72%	0.715	29%	0.29	S	S	*	.	S	Bend	trans	-151.3	-29.6	-171.7	-161	0	0	0	0	116.8	T201	V199-T201 PolarHBondContact O-N 2.93Å; V199-T201 VanDerWaalsContact O-N 3.1Å
200	E	68.6	Low	84.1	Confident	107 Å²	107	52.8 Å²	52.8	50%	0.5	28%	0.275	S	S	.	.			trans	-85.6	86.3	-173	-67.4	-178.1	180	0	0	113.1	E202 R203 L204	E200-E202 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 2.87Å; E200-R203 PolarHBondContact O-N 3.13Å; E200-R203 IonicContact OE1-NH1 3.14Å; E200-R203 WeakPolarHBondContact OE2-CD 3.12Å; E200-R203 IonicContact OE2-CZ 3.54Å; E200-R203 IonicContact OE2-NE 3.53Å; E200-R203 IonicContact OE2-NH1 2.75Å; E200-R203 PolarHBondContact OE2-NH1 3.31Å; E200-L204 WeakPolarHBondContact O-CG 3.19Å; E200-L204 PolarHBondContact O-N 3.13Å
201	T	70.4	Confident	84.1	Confident	80 Å²	80	52.8 Å²	52.8	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-35.6	-176.7	54.2	0	0	0	0	114.2	V199 R203 L204 D205	V199-T201 PolarHBondContact O-N 2.93Å; V199-T201 VanDerWaalsContact O-N 3.1Å; T201-R203 PolarHBondContact O-N 2.98Å; T201-L204 WeakPolarHBondContact O-CB 3.27Å; T201-L204 PolarHBondContact O-N 3.26Å; T201-D205 PolarHBondContact O-N 3.15Å; T201-D205 VanDerWaalsContact O-N 3.14Å
202	E	77.6	Confident	84.2	Confident	164 Å²	164	53.5 Å²	53.5	77%	0.766	28%	0.278	S	S	*	.	H	α-helix	trans	-63.5	-43.7	-179.5	-68.5	-174.2	175.8	0	0	112.4	E200 D205 V206	E200-E202 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 2.87Å; E202-D205 PolarHBondContact O-N 3.31Å; E202-V206 WeakPolarHBondContact O-CG2 3.3Å; E202-V206 PolarHBondContact O-N 3.22Å
203	R	87.7	Confident	84.5	Confident	108 Å²	108	51.2 Å²	51.2	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-73.6	-29.4	178.7	-69.1	-171.1	176.9	153.4	-12.2	112.5	F162 Y193 E200 T201 D205 V206 A207	F162-R203 HydrophobicContact CE1-CB 4.46Å; Y193-R203 HydrophobicContact CE1-CB 4.25Å; Y193-R203 WeakPolarHBondContact OH-CB 3.34Å; Y193-R203 WeakPolarHBondContact OH-CD 3.23Å; E200-R203 PolarHBondContact O-N 3.13Å; E200-R203 IonicContact OE1-NH1 3.14Å; E200-R203 WeakPolarHBondContact OE2-CD 3.12Å; E200-R203 IonicContact OE2-CZ 3.54Å; E200-R203 IonicContact OE2-NE 3.53Å; E200-R203 IonicContact OE2-NH1 2.75Å; E200-R203 PolarHBondContact OE2-NH1 3.31Å; T201-R203 PolarHBondContact O-N 2.98Å; R203-D205 VanDerWaalsContact C-N 3.29Å; R203-D205 PolarHBondContact O-N 2.74Å; R203-V206 PolarHBondContact O-N 2.86Å; R203-A207 VanDerWaalsContact O-CB 3.3Å; R203-A207 WeakPolarHBondContact O-CB 3.19Å; R203-A207 PolarHBondContact O-N 3.42Å
204	L	88.8	Confident	84.7	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-41.6	171.2	-72.1	177.2	0	0	0	111.2	L194 E200 T201 A207 A208 L235 L238 L244	L194-L204 HydrophobicContact CD2-CD2 3.69Å; E200-L204 WeakPolarHBondContact O-CG 3.19Å; E200-L204 PolarHBondContact O-N 3.13Å; T201-L204 WeakPolarHBondContact O-CB 3.27Å; T201-L204 PolarHBondContact O-N 3.26Å; L204-A207 PolarHBondContact O-N 2.96Å; L204-A208 VanDerWaalsContact O-CB 3.3Å; L204-A208 WeakPolarHBondContact O-CB 3.12Å; L204-A208 PolarHBondContact O-N 3.46Å; L204-L235 HydrophobicContact CD1-CD2 4.49Å; L204-L235 HydrophobicContact CD2-CD2 4.13Å; L204-L238 HydrophobicContact CD1-CD1 4.1Å; L204-L244 HydrophobicContact CB-CD2 3.97Å
205	D	89.6	Confident	84.8	Confident	35 Å²	35	49.8 Å²	49.8	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-48	178	-166.5	64.3	0	0	0	112.3	T201 E202 R203 A207 A208 E209 K247	T201-D205 PolarHBondContact O-N 3.15Å; T201-D205 VanDerWaalsContact O-N 3.14Å; E202-D205 PolarHBondContact O-N 3.31Å; R203-D205 VanDerWaalsContact C-N 3.29Å; R203-D205 PolarHBondContact O-N 2.74Å; D205-A207 VanDerWaalsContact C-N 3.35Å; D205-A207 PolarHBondContact O-N 2.94Å; D205-A208 PolarHBondContact O-N 2.89Å; D205-E209 WeakPolarHBondContact O-CB 3.39Å; D205-E209 PolarHBondContact O-N 3.03Å; D205-K247 WeakPolarHBondContact OD1-CE 3.34Å; D205-K247 IonicContact OD1-NZ 2.64Å; D205-K247 PolarHBondContact OD1-NZ 3.43Å; D205-K247 IonicContact OD2-NZ 2.82Å; D205-K247 PolarHBondContact OD2-NZ 3.12Å
206	V	92.8	Very high	85.2	Confident	45 Å²	45	53.7 Å²	53.7	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-40	178.8	-176.7	0	0	0	0	111.2	F162 V169 N173 E202 R203 A210	F162-V206 HydrophobicContact CD1-CG1 4.42Å; V169-V206 HydrophobicContact CB-CG1 4.36Å; V169-V206 HydrophobicContact CG1-CG1 3.79Å; N173-V206 PolarHBondContact ND2-O 3.49Å; E202-V206 WeakPolarHBondContact O-CG2 3.3Å; E202-V206 PolarHBondContact O-N 3.22Å; R203-V206 PolarHBondContact O-N 2.86Å; V206-A210 WeakPolarHBondContact O-CB 3.46Å; V206-A210 PolarHBondContact O-N 2.98Å
207	A	94.5	Very high	85.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-42.1	176.2	0	0	0	0	0	112.3	F162 L190 Y193 L194 R203 L204 D205 A210 L211	F162-A207 HydrophobicContact CE1-CB 4.18Å; F162-A207 HydrophobicContact CZ-CB 4.44Å; L190-A207 HydrophobicContact CD2-CB 4.07Å; Y193-A207 HydrophobicContact CD1-CB 3.87Å; Y193-A207 HydrophobicContact CE1-CB 4.16Å; L194-A207 HydrophobicContact CD2-CB 3.88Å; L194-A207 HydrophobicContact CG-CB 4.35Å; R203-A207 VanDerWaalsContact O-CB 3.3Å; R203-A207 WeakPolarHBondContact O-CB 3.19Å; R203-A207 PolarHBondContact O-N 3.42Å; L204-A207 PolarHBondContact O-N 2.96Å; D205-A207 VanDerWaalsContact C-N 3.35Å; D205-A207 PolarHBondContact O-N 2.94Å; A207-A210 PolarHBondContact O-N 3.34Å; A207-L211 PolarHBondContact O-N 3.4Å
208	A	92.9	Very high	86.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-39.9	176.7	0	0	0	0	0	111.7	L204 D205 A210 L211 L212 L244 K247 I251	L204-A208 VanDerWaalsContact O-CB 3.3Å; L204-A208 WeakPolarHBondContact O-CB 3.12Å; L204-A208 PolarHBondContact O-N 3.46Å; D205-A208 PolarHBondContact O-N 2.89Å; A208-A210 VanDerWaalsContact C-N 3.33Å; A208-L211 PolarHBondContact O-N 3.42Å; A208-L212 WeakPolarHBondContact O-CB 3.26Å; A208-L212 PolarHBondContact O-N 3.06Å; A208-L244 HydrophobicContact CB-CD1 3.61Å; A208-K247 HydrophobicContact CB-CB 4.32Å; A208-K247 HydrophobicContact CB-CD 4.38Å; A208-I251 HydrophobicContact CB-CD1 4.25Å
209	E	94.9	Very high	87.9	Confident	69 Å²	69	52.6 Å²	52.6	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-42.7	172.5	-174.6	-176.8	-165	0	0	111.4	N173 D205 L212 N213 K247	N173-E209 HydrophobicContact CB-CG 4.35Å; N173-E209 WeakPolarHBondContact ND2-CB 3.35Å; N173-E209 PolarHBondContact ND2-OE2 2.89Å; D205-E209 WeakPolarHBondContact O-CB 3.39Å; D205-E209 PolarHBondContact O-N 3.03Å; E209-L212 PolarHBondContact O-N 3.44Å; E209-N213 WeakPolarHBondContact O-CB 3.5Å; E209-N213 VanDerWaalsContact O-CG 3.31Å; E209-N213 PolarHBondContact O-N 3.34Å; E209-N213 PolarHBondContact O-ND2 3.28Å; E209-K247 HydrophobicContact CB-CD 4Å
210	A	96.4	Very high	89.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-42.9	176.8	0	0	0	0	0	112.2	V169 Y172 N173 F186 L190 V206 A207 A208 L212 N213 V214	V169-A210 HydrophobicContact CG1-CB 3.46Å; V169-A210 VanDerWaalsContact CG1-CB 3.46Å; Y172-A210 HydrophobicContact CD1-CB 4.23Å; N173-A210 WeakPolarHBondContact OD1-CA 3.27Å; N173-A210 VanDerWaalsContact OD1-CB 3.25Å; N173-A210 WeakPolarHBondContact OD1-CB 3.44Å; N173-A210 PolarHBondContact OD1-N 3.01Å; F186-A210 HydrophobicContact CZ-CB 4.31Å; L190-A210 HydrophobicContact CD1-CB 4.06Å; L190-A210 HydrophobicContact CD2-CB 3.88Å; V206-A210 WeakPolarHBondContact O-CB 3.46Å; V206-A210 PolarHBondContact O-N 2.98Å; A207-A210 PolarHBondContact O-N 3.34Å; A208-A210 VanDerWaalsContact C-N 3.33Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.93Å; A210-N213 WeakPolarHBondContact O-CB 3.45Å; A210-N213 PolarHBondContact O-N 3.04Å; A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 3.08Å
211	L	94.6	Very high	90	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-44.6	176.4	-173	68.5	0	0	0	111.3	F187 L190 L191 L194 A207 A208 N213 V214 L215 L232 I251	F187-L211 HydrophobicContact CD2-CD1 3.42Å; F187-L211 VanDerWaalsContact CD2-CD1 3.42Å; F187-L211 HydrophobicContact CE2-CD1 3.48Å; F187-L211 VanDerWaalsContact CE2-CD1 3.48Å; F187-L211 HydrophobicContact CE2-CG 4.46Å; F187-L211 HydrophobicContact CG-CD1 4.25Å; F187-L211 HydrophobicContact CZ-CD1 4.35Å; L190-L211 HydrophobicContact CB-CD1 4.06Å; L190-L211 HydrophobicContact CD1-CB 4.29Å; L190-L211 HydrophobicContact CD1-CD1 4.31Å; L191-L211 HydrophobicContact CD2-CD1 4.26Å; L191-L211 HydrophobicContact CD2-CD2 3.78Å; L191-L211 HydrophobicContact CG-CD1 4.26Å; L194-L211 HydrophobicContact CD1-CD2 3.78Å; A207-L211 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 3.42Å; L211-N213 PolarHBondContact O-N 2.98Å; L211-V214 PolarHBondContact O-N 3.46Å; L211-L215 HydrophobicContact CG-CD1 4.36Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 3.18Å; L211-L232 HydrophobicContact CD2-CD2 4.21Å; L211-I251 HydrophobicContact CD2-CD1 4.12Å; L211-I251 HydrophobicContact CD2-CG2 4.22Å
212	L	93.9	Very high	90.4	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-43.3	175.4	-178.3	63.1	0	0	0	111.6	A208 E209 A210 V214 L215 N216 M250 I251	A208-L212 WeakPolarHBondContact O-CB 3.26Å; A208-L212 PolarHBondContact O-N 3.06Å; E209-L212 PolarHBondContact O-N 3.44Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.93Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.49Å; L212-L215 PolarHBondContact O-N 2.98Å; L212-N216 WeakPolarHBondContact O-CB 3.4Å; L212-N216 VanDerWaalsContact O-CG 3.25Å; L212-N216 PolarHBondContact O-N 3.41Å; L212-N216 PolarHBondContact O-ND2 3.47Å; L212-M250 HydrophobicContact CD1-CB 3.84Å; L212-M250 HydrophobicContact CD2-CB 4.04Å; L212-M250 HydrophobicContact CD2-CE 3.94Å; L212-M250 HydrophobicContact CD2-SD 3.98Å; L212-I251 HydrophobicContact CB-CG1 4.15Å; L212-I251 HydrophobicContact CD1-CG1 4.27Å
213	N	95.5	Very high	90.4	Very high	24 Å²	24	39.6 Å²	39.6	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-39.8	175.2	-77.3	-34.8	0	0	0	112	Y172 N173 P176 E209 A210 L211 N217	Y172-N213 HydrophobicContact CE1-CB 3.77Å; N173-N213 PolarHBondContact OD1-ND2 2.95Å; P176-N213 HydrophobicContact CB-CB 3.98Å; E209-N213 WeakPolarHBondContact O-CB 3.5Å; E209-N213 VanDerWaalsContact O-CG 3.31Å; E209-N213 PolarHBondContact O-N 3.34Å; E209-N213 PolarHBondContact O-ND2 3.28Å; A210-N213 WeakPolarHBondContact O-CB 3.45Å; A210-N213 PolarHBondContact O-N 3.04Å; L211-N213 PolarHBondContact O-N 2.98Å; N213-N217 PolarHBondContact O-N 2.89Å; N213-N217 PolarHBondContact O-ND2 3.18Å
214	V	94.9	Very high	89.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-49.2	174.2	173.2	0	0	0	0	110.8	Y172 L180 F186 F187 L190 A210 L211 L212 N216 N217 Y218 L221	Y172-V214 HydrophobicContact CE1-CG2 3.73Å; Y172-V214 WeakPolarHBondContact OH-CG2 3.46Å; L180-V214 HydrophobicContact CD1-CG2 4.41Å; F186-V214 HydrophobicContact CD1-CG2 3.69Å; F186-V214 HydrophobicContact CE1-CG2 3.81Å; F187-V214 HydrophobicContact CB-CG1 4.11Å; F187-V214 HydrophobicContact CD2-CG1 3.85Å; F187-V214 HydrophobicContact CG-CG1 4.45Å; L190-V214 HydrophobicContact CD1-CG2 4.22Å; A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 3.08Å; L211-V214 PolarHBondContact O-N 3.46Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.49Å; V214-N216 VanDerWaalsContact C-N 3.28Å; V214-N216 PolarHBondContact O-N 2.9Å; V214-N217 PolarHBondContact O-N 3.41Å; V214-N217 VanDerWaalsContact O-N 3.12Å; V214-Y218 HydrophobicContact CG1-CD2 4.02Å; V214-Y218 WeakPolarHBondContact O-CD2 3.32Å; V214-Y218 PolarHBondContact O-N 3.49Å; V214-L221 HydrophobicContact CG1-CD1 3.64Å
215	L	91.9	Very high	89.3	Confident	11 Å²	11	36.2 Å²	36.2	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-39.3	178.9	-72.8	169	0	0	0	112.4	F187 L211 L212 N217 L221 E222 I251 S254 V255	F187-L215 HydrophobicContact CE2-CD1 4.49Å; F187-L215 HydrophobicContact CE2-CD2 3.59Å; F187-L215 HydrophobicContact CE2-CG 3.95Å; F187-L215 HydrophobicContact CZ-CD2 4.2Å; L211-L215 HydrophobicContact CG-CD1 4.36Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 3.18Å; L212-L215 PolarHBondContact O-N 2.98Å; L215-N217 VanDerWaalsContact C-N 3.34Å; L215-N217 PolarHBondContact O-N 2.96Å; L215-L221 HydrophobicContact CD2-CB 4.42Å; L215-E222 HydrophobicContact CD2-CB 4Å; L215-I251 HydrophobicContact CD1-CG2 3.95Å; L215-S254 WeakPolarHBondContact CD1-OG 3.46Å; L215-V255 HydrophobicContact CD1-CG2 4.29Å
216	N	92.1	Very high	88.3	Confident	98 Å²	98	36.4 Å²	36.4	52%	0.524	21%	0.205	S	C	.	.	H	α-helix	trans	-68.5	-29.4	178.1	-73.2	-28.1	0	0	0	113.8	L212 V214	L212-N216 WeakPolarHBondContact O-CB 3.4Å; L212-N216 VanDerWaalsContact O-CG 3.25Å; L212-N216 PolarHBondContact O-N 3.41Å; L212-N216 PolarHBondContact O-ND2 3.47Å; V214-N216 VanDerWaalsContact C-N 3.28Å; V214-N216 PolarHBondContact O-N 2.9Å
217	N	93.2	Very high	87.2	Confident	65 Å²	65	38.1 Å²	38.1	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-100.8	-18.9	-175.1	-71.4	-76	0	0	0	113.7	P176 N213 V214 L215	P176-N217 PolarHBondContact O-ND2 3.32Å; P176-N217 VanDerWaalsContact O-ND2 3.1Å; N213-N217 PolarHBondContact O-N 2.89Å; N213-N217 PolarHBondContact O-ND2 3.18Å; V214-N217 PolarHBondContact O-N 3.41Å; V214-N217 VanDerWaalsContact O-N 3.12Å; L215-N217 VanDerWaalsContact C-N 3.34Å; L215-N217 PolarHBondContact O-N 2.96Å
218	Y	91.3	Very high	86.4	Confident	46 Å²	46	40.9 Å²	40.9	18%	0.18	24%	0.237	C	C	.	.	S	Bend	trans	-128.2	80	-177	-58.8	-83.5	0	0	0	111.4	Y178 L180 P183 V214 L221	Y178-Y218 PolarHBondContact O-OH 3.14Å; L180-Y218 HydrophobicContact CD1-CE2 4.12Å; L180-Y218 PolarHBondContact N-OH 2.96Å; P183-Y218 HydrophobicContact CB-CD1 3.73Å; P183-Y218 HydrophobicContact CB-CD2 3.89Å; P183-Y218 HydrophobicContact CB-CE1 3.73Å; P183-Y218 HydrophobicContact CB-CE2 3.91Å; P183-Y218 HydrophobicContact CB-CG 3.81Å; P183-Y218 HydrophobicContact CG-CD1 3.74Å; P183-Y218 HydrophobicContact CG-CE1 3.76Å; P183-Y218 HydrophobicContact CG-CG 4.28Å; V214-Y218 HydrophobicContact CG1-CD2 4.02Å; V214-Y218 WeakPolarHBondContact O-CD2 3.32Å; V214-Y218 PolarHBondContact O-N 3.49Å; Y218-L221 HydrophobicContact CG-CD1 4.4Å; Y218-L221 PolarHBondContact O-N 3.34Å
219	P	86.4	Confident	85.6	Confident	116 Å²	116	41 Å²	41	75%	0.753	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	143.2	177.5	-22.4	32.9	0	0	0	112.4
220	G	82.6	Confident	84.5	Confident	39 Å²	39	42.8 Å²	42.8	40%	0.402	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-16.1	-176.3	0	0	0	0	0	114.1	E222	G220-E222 VanDerWaalsContact C-N 3.28Å; G220-E222 WeakPolarHBondContact CA-OE1 3.31Å; G220-E222 WeakPolarHBondContact CA-OE2 3.5Å; G220-E222 PolarHBondContact N-OE1 3.19Å; G220-E222 PolarHBondContact N-OE2 2.93Å
221	L	87.1	Confident	83.9	Confident	20 Å²	20	43.6 Å²	43.6	11%	0.105	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.1	174.5	-70.1	-174.5	0	0	0	112.5	P183 R184 F187 V214 L215 Y218 V223 Q224	P183-L221 HydrophobicContact CB-CD1 4.4Å; R184-L221 HydrophobicContact CB-CD2 4.29Å; R184-L221 HydrophobicContact CG-CD2 4.44Å; F187-L221 HydrophobicContact CB-CD1 4.21Å; F187-L221 HydrophobicContact CD2-CB 4.34Å; F187-L221 HydrophobicContact CD2-CD1 4.33Å; F187-L221 HydrophobicContact CE2-CB 4.24Å; F187-L221 HydrophobicContact CG-CD1 4.31Å; F187-L221 HydrophobicContact CZ-CB 4.4Å; F187-L221 WeakPolarHBondContact CZ-O 3.5Å; V214-L221 HydrophobicContact CG1-CD1 3.64Å; L215-L221 HydrophobicContact CD2-CB 4.42Å; Y218-L221 HydrophobicContact CG-CD1 4.4Å; Y218-L221 PolarHBondContact O-N 3.34Å; L221-V223 PolarHBondContact O-N 3.45Å; L221-V223 VanDerWaalsContact O-N 3.11Å; L221-Q224 WeakPolarHBondContact O-CB 3.45Å; L221-Q224 PolarHBondContact O-N 3.17Å
222	E	80.6	Confident	83.2	Confident	58 Å²	58	43.6 Å²	43.6	27%	0.271	25%	0.254	S	S	.	.	H	α-helix	trans	-54	-31.2	174.3	61.7	-82.6	-177.6	0	0	113	L215 G220 Q224 C225 V255	L215-E222 HydrophobicContact CD2-CB 4Å; G220-E222 VanDerWaalsContact C-N 3.28Å; G220-E222 WeakPolarHBondContact CA-OE1 3.31Å; G220-E222 WeakPolarHBondContact CA-OE2 3.5Å; G220-E222 PolarHBondContact N-OE1 3.19Å; G220-E222 PolarHBondContact N-OE2 2.93Å; E222-Q224 PolarHBondContact O-N 3.2Å; E222-C225 WeakPolarHBondContact O-CB 3.39Å; E222-C225 PolarHBondContact O-N 3.19Å; E222-C225 VanDerWaalsContact O-N 3.08Å; E222-V255 HydrophobicContact CB-CG2 4.47Å
223	V	76.5	Confident	82.2	Confident	79 Å²	79	43.8 Å²	43.8	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-30.7	176.5	-176.5	0	0	0	0	111.5	L221 I226	L221-V223 PolarHBondContact O-N 3.45Å; L221-V223 VanDerWaalsContact O-N 3.11Å; V223-I226 WeakPolarHBondContact O-CB 3.24Å; V223-I226 PolarHBondContact O-N 3.12Å
224	Q	77.1	Confident	81.4	Confident	40 Å²	40	48.6 Å²	48.6	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-75.6	-32.2	177.5	-61.6	-179.3	25.8	0	0	111.7	R184 F187 L221 E222 I226 A227 H228	R184-Q224 VanDerWaalsContact NE-NE2 3.14Å; F187-Q224 HydrophobicContact CD1-CB 4.37Å; F187-Q224 HydrophobicContact CE1-CB 3.61Å; F187-Q224 HydrophobicContact CZ-CB 4.34Å; L221-Q224 WeakPolarHBondContact O-CB 3.45Å; L221-Q224 PolarHBondContact O-N 3.17Å; E222-Q224 PolarHBondContact O-N 3.2Å; Q224-I226 PolarHBondContact O-N 3.36Å; Q224-A227 PolarHBondContact O-N 3.34Å; Q224-H228 PolarHBondContact O-CD2 3.18Å
225	C	77.2	Confident	80.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-28	173.7	-90.7	0	0	0	0	112.4	F187 E222 A227 H228 L229 V255	F187-C225 HydrophobicContact CZ-CB 4.2Å; F187-C225 WeakPolarHBondContact CZ-SG 3.42Å; E222-C225 WeakPolarHBondContact O-CB 3.39Å; E222-C225 PolarHBondContact O-N 3.19Å; E222-C225 VanDerWaalsContact O-N 3.08Å; C225-A227 VanDerWaalsContact C-N 3.26Å; C225-A227 PolarHBondContact O-N 3.36Å; C225-H228 CarbonylContact O-C 3.55Å; C225-H228 WeakPolarHBondContact O-CA 3.17Å; C225-H228 PolarHBondContact O-N 3.45Å; C225-L229 PolarHBondContact O-N 2.74Å; C225-V255 HydrophobicContact CB-CB 4.04Å; C225-V255 HydrophobicContact CB-CG1 3.45Å; C225-V255 VanDerWaalsContact CB-CG1 3.45Å; C225-V255 HydrophobicContact CB-CG2 3.3Å
226	I	68.1	Low	80	Confident	39 Å²	39	48.3 Å²	48.3	20%	0.2	27%	0.27	C	S	.	.	H	α-helix	trans	-55.7	-43.3	179.6	-63.2	177	0	0	0	111.1	V223 Q224 H228 L229 V255 L360	V223-I226 WeakPolarHBondContact O-CB 3.24Å; V223-I226 PolarHBondContact O-N 3.12Å; Q224-I226 PolarHBondContact O-N 3.36Å; I226-H228 PolarHBondContact O-N 2.94Å; I226-L229 PolarHBondContact O-N 3.19Å; I226-V255 HydrophobicContact CG1-CG1 4.17Å; I226-L360 HydrophobicContact CG2-CB 3.68Å; I226-L360 HydrophobicContact CG2-CD1 3.94Å; I226-L360 HydrophobicContact CG2-CD2 3.72Å; I226-L360 HydrophobicContact CG2-CG 3.98Å
227	A	69.3	Low	79.1	Confident	81 Å²	81	47.4 Å²	47.4	67%	0.669	26%	0.263	S	S	*	.	H	α-helix	trans	-70.6	-16.4	178.3	0	0	0	0	0	113.4	Q224 C225	Q224-A227 PolarHBondContact O-N 3.34Å; C225-A227 VanDerWaalsContact C-N 3.26Å; C225-A227 PolarHBondContact O-N 3.36Å
228	H	77.6	Confident	78.4	Confident	58 Å²	58	46.7 Å²	46.7	27%	0.269	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	18.6	-178.2	-63.8	-77.8	0	0	0	112.2	M188 L191 Q224 C225 I226 N230 V231	M188-H228 VanDerWaalsContact CE-NE2 3.34Å; M188-H228 WeakPolarHBondContact CE-NE2 3.47Å; L191-H228 HydrophobicContact CD1-CB 3.92Å; L191-H228 HydrophobicContact CD2-CB 4.42Å; Q224-H228 PolarHBondContact O-CD2 3.18Å; C225-H228 CarbonylContact O-C 3.55Å; C225-H228 WeakPolarHBondContact O-CA 3.17Å; C225-H228 PolarHBondContact O-N 3.45Å; I226-H228 PolarHBondContact O-N 2.94Å; H228-N230 VanDerWaalsContact C-OD1 3.25Å; H228-N230 WeakPolarHBondContact CA-OD1 3.31Å; H228-N230 PolarHBondContact O-N 2.88Å; H228-N230 PolarHBondContact O-OD1 2.89Å; H228-V231 HydrophobicContact CB-CG2 4.36Å; H228-V231 VanDerWaalsContact O-CB 3.27Å; H228-V231 WeakPolarHBondContact O-CB 3.44Å; H228-V231 PolarHBondContact O-N 2.79Å
229	L	75.9	Confident	77.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-32.4	-177.6	-171.8	67.3	0	0	0	111.3	C225 I226 V231 L232 L233 L252 L256 F265 F356 L357 L360	C225-L229 PolarHBondContact O-N 2.74Å; I226-L229 PolarHBondContact O-N 3.19Å; L229-V231 PolarHBondContact O-N 3.13Å; L229-L232 HydrophobicContact CD1-CD1 4.29Å; L229-L232 PolarHBondContact O-N 3.08Å; L229-L232 VanDerWaalsContact O-N 3.08Å; L229-L233 HydrophobicContact CD2-CD1 4.43Å; L229-L233 HydrophobicContact CG-CD1 4.11Å; L229-L233 HydrophobicContact CG-CG 4.25Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 3.1Å; L229-L252 HydrophobicContact CD1-CD2 3.65Å; L229-L256 HydrophobicContact CD1-CD1 4.42Å; L229-L256 HydrophobicContact CD1-CD2 4.3Å; L229-L256 HydrophobicContact CD2-CD2 4.11Å; L229-F265 HydrophobicContact CD2-CE2 3.65Å; L229-F265 HydrophobicContact CD2-CZ 3.65Å; L229-F356 HydrophobicContact CD2-CE1 3.78Å; L229-F356 HydrophobicContact CD2-CZ 4.31Å; L229-L357 HydrophobicContact CD2-CD2 4.44Å; L229-L360 HydrophobicContact CD2-CD1 3.66Å
230	N	73.2	Confident	77.1	Confident	106 Å²	106	46.8 Å²	46.8	57%	0.567	25%	0.251	S	S	*	.	H	α-helix	trans	-55.7	-33	172.8	65.8	-38.2	0	0	0	113.4	H228 R234	H228-N230 VanDerWaalsContact C-OD1 3.25Å; H228-N230 WeakPolarHBondContact CA-OD1 3.31Å; H228-N230 PolarHBondContact O-N 2.88Å; H228-N230 PolarHBondContact O-OD1 2.89Å; N230-R234 VanDerWaalsContact O-CB 3.31Å; N230-R234 WeakPolarHBondContact O-CB 3.39Å; N230-R234 PolarHBondContact O-N 3.19Å
231	V	82.4	Confident	77.1	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-48.3	174.9	172.4	0	0	0	0	110.3	L194 G195 H228 L229 L233 R234 L235	L194-V231 HydrophobicContact CB-CG1 3.89Å; G195-V231 VanDerWaalsContact CA-CG1 3.49Å; H228-V231 HydrophobicContact CB-CG2 4.36Å; H228-V231 VanDerWaalsContact O-CB 3.27Å; H228-V231 WeakPolarHBondContact O-CB 3.44Å; H228-V231 PolarHBondContact O-N 2.79Å; L229-V231 PolarHBondContact O-N 3.13Å; V231-L233 VanDerWaalsContact C-N 3.33Å; V231-L233 PolarHBondContact O-N 3.44Å; V231-R234 PolarHBondContact O-N 3.32Å; V231-L235 PolarHBondContact O-N 3.42Å; V231-L235 VanDerWaalsContact O-N 3.13Å
232	L	79.7	Confident	76.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-38.1	179.5	-61.7	175.1	0	0	0	111.7	L211 L229 L235 L236 I251 L252	L211-L232 HydrophobicContact CD2-CD2 4.21Å; L229-L232 HydrophobicContact CD1-CD1 4.29Å; L229-L232 PolarHBondContact O-N 3.08Å; L229-L232 VanDerWaalsContact O-N 3.08Å; L232-L235 HydrophobicContact CD2-CD1 4.35Å; L232-L235 WeakPolarHBondContact O-CB 3.37Å; L232-L235 PolarHBondContact O-N 3.13Å; L232-L236 PolarHBondContact O-N 3.06Å; L232-I251 HydrophobicContact CD1-CG2 3.63Å; L232-I251 HydrophobicContact CD2-CG2 3.88Å; L232-I251 HydrophobicContact CG-CG2 4.42Å; L232-L252 HydrophobicContact CB-CD2 4.14Å; L232-L252 HydrophobicContact CD1-CD2 4.2Å
233	L	73.7	Confident	77	Confident	21 Å²	21	55.3 Å²	55.3	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-40.6	175.3	-66.3	171.9	0	0	0	111.5	L229 V231 L235 L236 E237 F265	L229-L233 HydrophobicContact CD2-CD1 4.43Å; L229-L233 HydrophobicContact CG-CD1 4.11Å; L229-L233 HydrophobicContact CG-CG 4.25Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 3.1Å; V231-L233 VanDerWaalsContact C-N 3.33Å; V231-L233 PolarHBondContact O-N 3.44Å; L233-L235 VanDerWaalsContact C-N 3.25Å; L233-L235 PolarHBondContact O-N 2.85Å; L233-L236 HydrophobicContact CD2-CD1 4.49Å; L233-L236 WeakPolarHBondContact O-CB 3.44Å; L233-L236 PolarHBondContact O-N 3.09Å; L233-E237 PolarHBondContact O-N 3.36Å; L233-F265 HydrophobicContact CD1-CD1 3.69Å; L233-F265 HydrophobicContact CD1-CE1 3.45Å; L233-F265 VanDerWaalsContact CD1-CE1 3.45Å; L233-F265 HydrophobicContact CD1-CG 4.37Å; L233-F265 HydrophobicContact CD1-CZ 3.92Å; L233-F265 HydrophobicContact CD2-CB 3.89Å; L233-F265 HydrophobicContact CD2-CD1 3.78Å; L233-F265 HydrophobicContact CD2-CD2 4.24Å; L233-F265 HydrophobicContact CD2-CE1 4.32Å; L233-F265 HydrophobicContact CD2-CG 3.73Å; L233-F265 HydrophobicContact CG-CD1 4.41Å
234	R	78.9	Confident	77.5	Confident	125 Å²	125	51.7 Å²	51.7	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-33	175.1	-171.6	-178.4	-176.7	-163.7	1	112.3	G195 N230 V231 L236 E237	G195-R234 PolarHBondContact O-NH1 3.47Å; N230-R234 VanDerWaalsContact O-CB 3.31Å; N230-R234 WeakPolarHBondContact O-CB 3.39Å; N230-R234 PolarHBondContact O-N 3.19Å; V231-R234 PolarHBondContact O-N 3.32Å; R234-L236 VanDerWaalsContact C-N 3.28Å; R234-L236 PolarHBondContact O-N 2.68Å; R234-E237 WeakPolarHBondContact O-CB 3.13Å; R234-E237 PolarHBondContact O-N 2.97Å; R234-E237 VanDerWaalsContact O-N 3.12Å
235	L	80.6	Confident	77.8	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-39.3	173.4	-66	174.3	0	0	0	111.2	L194 L204 V231 L232 L233 E237 L238 L240 V248	L194-L235 HydrophobicContact CB-CD1 4.29Å; L194-L235 HydrophobicContact CD1-CD1 4.34Å; L194-L235 HydrophobicContact CD2-CD1 4.11Å; L194-L235 HydrophobicContact CD2-CD2 4.43Å; L194-L235 HydrophobicContact CG-CD1 4.48Å; L204-L235 HydrophobicContact CD1-CD2 4.49Å; L204-L235 HydrophobicContact CD2-CD2 4.13Å; V231-L235 PolarHBondContact O-N 3.42Å; V231-L235 VanDerWaalsContact O-N 3.13Å; L232-L235 HydrophobicContact CD2-CD1 4.35Å; L232-L235 WeakPolarHBondContact O-CB 3.37Å; L232-L235 PolarHBondContact O-N 3.13Å; L233-L235 VanDerWaalsContact C-N 3.25Å; L233-L235 PolarHBondContact O-N 2.85Å; L235-E237 PolarHBondContact O-N 3.28Å; L235-L238 HydrophobicContact CD2-CD1 4.17Å; L235-L238 WeakPolarHBondContact O-CB 3.43Å; L235-L238 PolarHBondContact O-N 3.23Å; L235-L240 VanDerWaalsContact O-CD1 3.32Å; L235-L240 WeakPolarHBondContact O-CD1 3.49Å; L235-L240 WeakPolarHBondContact O-CD2 3.3Å; L235-L240 WeakPolarHBondContact O-CG 3.43Å; L235-V248 HydrophobicContact CB-CG2 4.43Å; L235-V248 HydrophobicContact CD1-CG2 4.26Å
236	L	76.6	Confident	78.2	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-21.1	176.7	-63.6	176.4	0	0	0	113.1	L232 L233 R234 L238 L240 V248 L252 L266 L269 V278 L285	L232-L236 PolarHBondContact O-N 3.06Å; L233-L236 HydrophobicContact CD2-CD1 4.49Å; L233-L236 WeakPolarHBondContact O-CB 3.44Å; L233-L236 PolarHBondContact O-N 3.09Å; R234-L236 VanDerWaalsContact C-N 3.28Å; R234-L236 PolarHBondContact O-N 2.68Å; L236-L238 PolarHBondContact O-N 3.01Å; L236-L240 HydrophobicContact CD2-CD1 4.31Å; L236-V248 HydrophobicContact CD2-CB 4.32Å; L236-V248 HydrophobicContact CD2-CG1 3.62Å; L236-V248 HydrophobicContact CG-CG1 3.98Å; L236-L252 HydrophobicContact CD1-CD1 4Å; L236-L266 HydrophobicContact CD1-CD2 4.13Å; L236-L269 HydrophobicContact CB-CD1 3.74Å; L236-L269 HydrophobicContact CD1-CD1 3.86Å; L236-L269 HydrophobicContact CG-CD1 4.48Å; L236-V278 WeakPolarHBondContact O-CG1 3.21Å; L236-L285 HydrophobicContact CD2-CD1 3.67Å
237	E	74.2	Confident	79.2	Confident	80 Å²	80	51.4 Å²	51.4	37%	0.374	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.1	174.6	-60.8	176.6	165.4	0	0	112.9	L233 R234 L235 L269 V278	L233-E237 PolarHBondContact O-N 3.36Å; R234-E237 WeakPolarHBondContact O-CB 3.13Å; R234-E237 PolarHBondContact O-N 2.97Å; R234-E237 VanDerWaalsContact O-N 3.12Å; L235-E237 PolarHBondContact O-N 3.28Å; E237-L269 HydrophobicContact CG-CD2 4.24Å; E237-V278 VanDerWaalsContact C-CG2 3.47Å; E237-V278 WeakPolarHBondContact O-CG2 3.3Å
238	L	77.8	Confident	80	Confident	50 Å²	50	47.5 Å²	47.5	26%	0.262	23%	0.234	S	C	.	.	S	Bend	trans	-91.9	162.1	173.4	-55.4	176.7	0	0	0	111.3	L204 L235 L236 L240 N281	L204-L238 HydrophobicContact CD1-CD1 4.1Å; L235-L238 HydrophobicContact CD2-CD1 4.17Å; L235-L238 WeakPolarHBondContact O-CB 3.43Å; L235-L238 PolarHBondContact O-N 3.23Å; L236-L238 PolarHBondContact O-N 3.01Å; L238-L240 HydrophobicContact CB-CD2 3.85Å; L238-L240 HydrophobicContact CB-CG 4.45Å; L238-L240 PolarHBondContact O-N 3.39Å; L238-L240 VanDerWaalsContact O-N 3.15Å; L238-N281 PolarHBondContact O-ND2 3.06Å
239	E	73.7	Confident	80.2	Confident	144 Å²	144	45.1 Å²	45.1	67%	0.673	22%	0.223	S	C	*	.			trans	-75.7	98.8	166.1	-70	-174.7	170.7	0	0	109.3	S277	E239-S277 WeakPolarHBondContact CG-OG 3.33Å; E239-S277 PolarHBondContact OE1-OG 3.28Å; E239-S277 VanDerWaalsContact OE1-OG 3.12Å
240	L	77.2	Confident	80.7	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.099	25%	0.245	C	C	.	.			trans	-98.4	146.8	-177.4	-56.4	-177.3	0	0	0	111.5	L235 L236 L238 L244 C245 V248	L235-L240 VanDerWaalsContact O-CD1 3.32Å; L235-L240 WeakPolarHBondContact O-CD1 3.49Å; L235-L240 WeakPolarHBondContact O-CD2 3.3Å; L235-L240 WeakPolarHBondContact O-CG 3.43Å; L236-L240 HydrophobicContact CD2-CD1 4.31Å; L238-L240 HydrophobicContact CB-CD2 3.85Å; L238-L240 HydrophobicContact CB-CG 4.45Å; L238-L240 PolarHBondContact O-N 3.39Å; L238-L240 VanDerWaalsContact O-N 3.15Å; L240-L244 HydrophobicContact CD1-CG 4.43Å; L240-L244 HydrophobicContact CD2-CD2 3.61Å; L240-L244 HydrophobicContact CD2-CG 3.98Å; L240-C245 VanDerWaalsContact CB-SG 3.55Å; L240-V248 HydrophobicContact CD1-CG2 4.5Å
241	C	81.3	Confident	81.4	Confident	63 Å²	63	44.5 Å²	44.5	43%	0.426	22%	0.218	S	C	.	.			trans	-74	163.4	164	67.3	0	0	0	0	111.4	E243 L244 C245	C241-E243 VanDerWaalsContact C-N 3.26Å; C241-E243 PolarHBondContact O-N 3.26Å; C241-E243 PolarHBondContact SG-OE2 2.78Å; C241-E243 VanDerWaalsContact SG-OE2 3.35Å; C241-L244 PolarHBondContact O-N 3.12Å; C241-C245 PolarHBondContact O-N 3Å
242	E	81	Confident	81.4	Confident	120 Å²	120	44 Å²	44	56%	0.561	21%	0.214	S	C	*	.	H	α-helix	trans	-58.1	-38.8	-177.7	-171	177.6	174	0	0	112.3	S246 Y284	E242-S246 WeakPolarHBondContact O-CB 3.33Å; E242-S246 PolarHBondContact O-N 2.88Å; E242-Y284 HydrophobicContact CG-CE1 4.2Å; E242-Y284 HydrophobicContact CG-CE2 4.43Å; E242-Y284 WeakPolarHBondContact CG-OH 3.41Å; E242-Y284 PolarHBondContact OE1-OH 3.05Å
243	E	85.2	Confident	81.4	Confident	114 Å²	114	48 Å²	48	53%	0.533	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-44.7	179.5	-62.3	80.4	-176	0	0	111.6	C241 S246 K247	C241-E243 VanDerWaalsContact C-N 3.26Å; C241-E243 PolarHBondContact O-N 3.26Å; C241-E243 PolarHBondContact SG-OE2 2.78Å; C241-E243 VanDerWaalsContact SG-OE2 3.35Å; E243-S246 PolarHBondContact O-N 3.02Å; E243-K247 WeakPolarHBondContact O-CG 3.27Å; E243-K247 PolarHBondContact O-N 3Å; E243-K247 VanDerWaalsContact O-N 3.09Å
244	L	86.2	Confident	81.6	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-70.1	-43.1	179.6	-178.7	48	0	0	0	110.9	L204 A208 L240 C241 S246 K247 V248	L204-L244 HydrophobicContact CB-CD2 3.97Å; A208-L244 HydrophobicContact CB-CD1 3.61Å; L240-L244 HydrophobicContact CD1-CG 4.43Å; L240-L244 HydrophobicContact CD2-CD2 3.61Å; L240-L244 HydrophobicContact CD2-CG 3.98Å; C241-L244 PolarHBondContact O-N 3.12Å; L244-S246 VanDerWaalsContact C-N 3.26Å; L244-S246 PolarHBondContact O-N 3.34Å; L244-K247 PolarHBondContact O-N 3.2Å; L244-K247 VanDerWaalsContact O-N 3.11Å; L244-V248 HydrophobicContact CD1-CG2 4.12Å; L244-V248 WeakPolarHBondContact O-CG2 3.46Å; L244-V248 PolarHBondContact O-N 3.32Å
245	C	83.8	Confident	81.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-52.9	-45	171.1	-88.6	0	0	0	0	111.8	L240 C241 K247 V248 L249 L285	L240-C245 VanDerWaalsContact CB-SG 3.55Å; C241-C245 PolarHBondContact O-N 3Å; C245-K247 PolarHBondContact O-N 2.87Å; C245-V248 PolarHBondContact O-N 3.16Å; C245-L249 PolarHBondContact O-N 3.32Å; C245-L285 HydrophobicContact CB-CD2 4.3Å
246	S	85.3	Confident	81	Confident	38 Å²	38	43.8 Å²	43.8	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-41	178.6	-157.7	0	0	0	0	112.3	E242 E243 L244 L249 M250 K288	E242-S246 WeakPolarHBondContact O-CB 3.33Å; E242-S246 PolarHBondContact O-N 2.88Å; E243-S246 PolarHBondContact O-N 3.02Å; L244-S246 VanDerWaalsContact C-N 3.26Å; L244-S246 PolarHBondContact O-N 3.34Å; S246-L249 PolarHBondContact O-N 3.36Å; S246-M250 WeakPolarHBondContact O-CG 3.44Å; S246-M250 PolarHBondContact O-N 3.03Å; S246-M250 VanDerWaalsContact O-N 3.09Å; S246-K288 PolarHBondContact OG-NZ 3.46Å
247	K	89	Confident	80.2	Confident	34 Å²	34	48.6 Å²	48.6	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-44.6	176.3	-67.9	177.5	-172.2	84.3	0	111.6	D205 A208 E209 E243 L244 C245 L249 M250 I251	D205-K247 WeakPolarHBondContact OD1-CE 3.34Å; D205-K247 IonicContact OD1-NZ 2.64Å; D205-K247 PolarHBondContact OD1-NZ 3.43Å; D205-K247 IonicContact OD2-NZ 2.82Å; D205-K247 PolarHBondContact OD2-NZ 3.12Å; A208-K247 HydrophobicContact CB-CB 4.32Å; A208-K247 HydrophobicContact CB-CD 4.38Å; E209-K247 HydrophobicContact CB-CD 4Å; E243-K247 WeakPolarHBondContact O-CG 3.27Å; E243-K247 PolarHBondContact O-N 3Å; E243-K247 VanDerWaalsContact O-N 3.09Å; L244-K247 PolarHBondContact O-N 3.2Å; L244-K247 VanDerWaalsContact O-N 3.11Å; C245-K247 PolarHBondContact O-N 2.87Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.03Å; K247-M250 PolarHBondContact O-N 3.21Å; K247-M250 VanDerWaalsContact O-N 3.14Å; K247-I251 VanDerWaalsContact O-CG1 3.31Å; K247-I251 WeakPolarHBondContact O-CG1 3.47Å; K247-I251 PolarHBondContact O-N 2.75Å
248	V	85.9	Confident	79.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-42.6	176.6	175.6	0	0	0	0	110.9	L235 L236 L240 L244 C245 M250 I251 L252	L235-V248 HydrophobicContact CB-CG2 4.43Å; L235-V248 HydrophobicContact CD1-CG2 4.26Å; L236-V248 HydrophobicContact CD2-CB 4.32Å; L236-V248 HydrophobicContact CD2-CG1 3.62Å; L236-V248 HydrophobicContact CG-CG1 3.98Å; L240-V248 HydrophobicContact CD1-CG2 4.5Å; L244-V248 HydrophobicContact CD1-CG2 4.12Å; L244-V248 WeakPolarHBondContact O-CG2 3.46Å; L244-V248 PolarHBondContact O-N 3.32Å; C245-V248 PolarHBondContact O-N 3.16Å; V248-M250 PolarHBondContact O-N 3.49Å; V248-I251 PolarHBondContact O-N 3.48Å; V248-L252 HydrophobicContact CG1-CD1 4.09Å; V248-L252 HydrophobicContact CG1-CG 4.36Å; V248-L252 WeakPolarHBondContact O-CG 3.31Å; V248-L252 PolarHBondContact O-N 3.11Å
249	L	82.8	Confident	79	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-42.9	174.8	-178.3	64.8	0	0	0	112.3	C245 S246 K247 I251 L252 R253 L285 K288 L289	C245-L249 PolarHBondContact O-N 3.32Å; S246-L249 PolarHBondContact O-N 3.36Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.03Å; L249-I251 VanDerWaalsContact C-N 3.34Å; L249-L252 PolarHBondContact O-N 3.22Å; L249-R253 WeakPolarHBondContact O-CB 3.35Å; L249-R253 WeakPolarHBondContact O-CG 3.43Å; L249-R253 PolarHBondContact O-N 3.49Å; L249-L285 HydrophobicContact CB-CD1 4.36Å; L249-L285 HydrophobicContact CB-CD2 3.72Å; L249-L285 HydrophobicContact CD1-CB 4.38Å; L249-L285 HydrophobicContact CD1-CD1 4.46Å; L249-L285 HydrophobicContact CD1-CD2 4.41Å; L249-L285 HydrophobicContact CD2-CD2 3.93Å; L249-L285 HydrophobicContact CG-CD2 4.2Å; L249-K288 HydrophobicContact CD2-CB 4.14Å; L249-K288 HydrophobicContact CD2-CD 4.32Å; L249-L289 HydrophobicContact CD1-CD1 4.38Å; L249-L289 HydrophobicContact CD1-CD2 4.28Å; L249-L289 HydrophobicContact CD1-CG 4.38Å
250	M	86.5	Confident	78.8	Confident	96 Å²	96	39.8 Å²	39.8	47%	0.473	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-40.1	176.9	-70.4	-179.4	72.2	0	0	111.8	L212 S246 K247 V248 R253 S254	L212-M250 HydrophobicContact CD1-CB 3.84Å; L212-M250 HydrophobicContact CD2-CB 4.04Å; L212-M250 HydrophobicContact CD2-CE 3.94Å; L212-M250 HydrophobicContact CD2-SD 3.98Å; S246-M250 WeakPolarHBondContact O-CG 3.44Å; S246-M250 PolarHBondContact O-N 3.03Å; S246-M250 VanDerWaalsContact O-N 3.09Å; K247-M250 PolarHBondContact O-N 3.21Å; K247-M250 VanDerWaalsContact O-N 3.14Å; V248-M250 PolarHBondContact O-N 3.49Å; M250-R253 PolarHBondContact O-N 3.11Å; M250-S254 PolarHBondContact O-N 2.73Å; M250-S254 PolarHBondContact O-OG 2.82Å
251	I	87.4	Confident	78.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-51.1	174	-65	158.8	0	0	0	109.7	A208 L211 L212 L215 L232 K247 V248 L249 R253 S254 V255	A208-I251 HydrophobicContact CB-CD1 4.25Å; L211-I251 HydrophobicContact CD2-CD1 4.12Å; L211-I251 HydrophobicContact CD2-CG2 4.22Å; L212-I251 HydrophobicContact CB-CG1 4.15Å; L212-I251 HydrophobicContact CD1-CG1 4.27Å; L215-I251 HydrophobicContact CD1-CG2 3.95Å; L232-I251 HydrophobicContact CD1-CG2 3.63Å; L232-I251 HydrophobicContact CD2-CG2 3.88Å; L232-I251 HydrophobicContact CG-CG2 4.42Å; K247-I251 VanDerWaalsContact O-CG1 3.31Å; K247-I251 WeakPolarHBondContact O-CG1 3.47Å; K247-I251 PolarHBondContact O-N 2.75Å; V248-I251 PolarHBondContact O-N 3.48Å; L249-I251 VanDerWaalsContact C-N 3.34Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.36Å; I251-S254 PolarHBondContact O-N 3.05Å; I251-S254 PolarHBondContact O-OG 3.17Å; I251-V255 HydrophobicContact CG2-CG2 4.17Å; I251-V255 VanDerWaalsContact O-CG2 3.3Å; I251-V255 WeakPolarHBondContact O-CG2 3.46Å; I251-V255 PolarHBondContact O-N 2.84Å
252	L	82.3	Confident	78.4	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-42.1	178.9	-71.9	173.4	0	0	0	112.2	L229 L232 L236 V248 L249 S254 V255 L256	L229-L252 HydrophobicContact CD1-CD2 3.65Å; L232-L252 HydrophobicContact CB-CD2 4.14Å; L232-L252 HydrophobicContact CD1-CD2 4.2Å; L236-L252 HydrophobicContact CD1-CD1 4Å; V248-L252 HydrophobicContact CG1-CD1 4.09Å; V248-L252 HydrophobicContact CG1-CG 4.36Å; V248-L252 WeakPolarHBondContact O-CG 3.31Å; V248-L252 PolarHBondContact O-N 3.11Å; L249-L252 PolarHBondContact O-N 3.22Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 2.72Å; L252-V255 PolarHBondContact O-N 3.16Å; L252-L256 HydrophobicContact CD2-CD1 4.27Å; L252-L256 VanDerWaalsContact O-CB 3.3Å; L252-L256 WeakPolarHBondContact O-CB 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.26Å
253	R	79.1	Confident	78.5	Confident	85 Å²	85	30.5 Å²	30.5	32%	0.321	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-35.3	174.5	-75.2	-178.1	-179.7	-163.1	2.3	113	L249 M250 I251	L249-R253 WeakPolarHBondContact O-CB 3.35Å; L249-R253 WeakPolarHBondContact O-CG 3.43Å; L249-R253 PolarHBondContact O-N 3.49Å; M250-R253 PolarHBondContact O-N 3.11Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.36Å
254	S	78.2	Confident	78.5	Confident	44 Å²	44	25.1 Å²	25.1	31%	0.308	14%	0.144	S	C	.	.	H	α-helix	trans	-75.7	-27.9	177.6	69.2	0	0	0	0	113.4	L215 M250 I251 L252	L215-S254 WeakPolarHBondContact CD1-OG 3.46Å; M250-S254 PolarHBondContact O-N 2.73Å; M250-S254 PolarHBondContact O-OG 2.82Å; I251-S254 PolarHBondContact O-N 3.05Å; I251-S254 PolarHBondContact O-OG 3.17Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 2.72Å
255	V	75.5	Confident	78.4	Confident	8 Å²	8	25.2 Å²	25.2	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-88.8	-38.5	-176.5	174.1	0	0	0	0	112.3	L215 E222 C225 I226 I251 L252 A257	L215-V255 HydrophobicContact CD1-CG2 4.29Å; E222-V255 HydrophobicContact CB-CG2 4.47Å; C225-V255 HydrophobicContact CB-CB 4.04Å; C225-V255 HydrophobicContact CB-CG1 3.45Å; C225-V255 VanDerWaalsContact CB-CG1 3.45Å; C225-V255 HydrophobicContact CB-CG2 3.3Å; I226-V255 HydrophobicContact CG1-CG1 4.17Å; I251-V255 HydrophobicContact CG2-CG2 4.17Å; I251-V255 VanDerWaalsContact O-CG2 3.3Å; I251-V255 WeakPolarHBondContact O-CG2 3.46Å; I251-V255 PolarHBondContact O-N 2.84Å; L252-V255 PolarHBondContact O-N 3.16Å; V255-A257 PolarHBondContact O-N 3.17Å
256	L	72.1	Confident	78.6	Confident	8 Å²	8	25.2 Å²	25.2	4%	0.042	15%	0.145	C	C	.	.			trans	-91.5	108.1	-172.9	-64.1	177.2	0	0	0	110.2	L229 L252 N258 C261 C262 F356	L229-L256 HydrophobicContact CD1-CD1 4.42Å; L229-L256 HydrophobicContact CD1-CD2 4.3Å; L229-L256 HydrophobicContact CD2-CD2 4.11Å; L252-L256 HydrophobicContact CD2-CD1 4.27Å; L252-L256 VanDerWaalsContact O-CB 3.3Å; L252-L256 WeakPolarHBondContact O-CB 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.26Å; L256-N258 PolarHBondContact O-N 3.41Å; L256-N258 VanDerWaalsContact O-N 3.17Å; L256-C261 HydrophobicContact CB-CB 4.48Å; L256-C261 HydrophobicContact CD1-CB 4.39Å; L256-C262 HydrophobicContact CD1-CB 4.23Å; L256-C262 WeakPolarHBondContact CD1-SG 3.29Å; L256-F356 HydrophobicContact CD2-CE1 4.4Å; L256-F356 HydrophobicContact CD2-CE2 4.43Å; L256-F356 HydrophobicContact CD2-CZ 3.59Å
257	A	58.9	Low	79	Confident	102 Å²	102	23.5 Å²	23.5	84%	0.843	13%	0.132	S	C	*	.	S	Bend	trans	-59.5	-27.1	-176.2	0	0	0	0	0	114.2	V255	V255-A257 PolarHBondContact O-N 3.17Å
258	N	62.3	Low	79.1	Confident	22 Å²	22	24.2 Å²	24.2	12%	0.118	14%	0.135	C	C	.	.	S	Bend	trans	-116.9	118.6	168.5	-174.7	3.5	0	0	0	109.3	L256 D260 C261 R298 W367	L256-N258 PolarHBondContact O-N 3.41Å; L256-N258 VanDerWaalsContact O-N 3.17Å; N258-D260 PolarHBondContact ND2-OD2 3Å; N258-D260 PolarHBondContact O-N 3.49Å; N258-D260 VanDerWaalsContact O-N 3.17Å; N258-D260 PolarHBondContact OD1-N 2.97Å; N258-D260 VanDerWaalsContact OD1-N 3.11Å; N258-D260 PolarHBondContact OD1-OD2 2.98Å; N258-C261 WeakPolarHBondContact O-CB 3.43Å; N258-C261 PolarHBondContact O-N 3.03Å; N258-C261 PolarHBondContact O-SG 3.04Å; N258-R298 PolarHBondContact OD1-NH2 2.99Å; N258-W367 PolarHBondContact ND2-O 2.81Å
259	E	65.3	Low	79.3	Confident	43 Å²	43	24.5 Å²	24.5	20%	0.201	14%	0.137	C	C	.	.	H	α-helix	trans	-43.3	-45.7	171.5	-80.3	-171.7	165.3	0	0	112.3	C261 C262 H295 R298 W299	E259-C261 PolarHBondContact O-N 3.07Å; E259-C262 WeakPolarHBondContact O-CB 3.49Å; E259-C262 PolarHBondContact O-N 3.28Å; E259-H295 IonicContact OE2-CG 2.78Å; E259-R298 IonicContact OE2-NH1 3.68Å; E259-R298 PolarHBondContact OE2-NH1 3.3Å; E259-W299 HydrophobicContact CB-CH2 4.11Å; E259-W299 HydrophobicContact CB-CZ2 3.51Å; E259-W299 HydrophobicContact CG-CZ2 4.17Å; E259-W299 WeakPolarHBondContact O-CH2 3.3Å
260	D	69.8	Low	79.8	Confident	25 Å²	25	24.1 Å²	24.1	13%	0.134	14%	0.135	C	C	.	.	H	α-helix	trans	-54.3	-27.6	-177.8	-62	-28.6	0	0	0	113.6	N258 C262 G263 T264 R298 F302 W367	N258-D260 PolarHBondContact ND2-OD2 3Å; N258-D260 PolarHBondContact O-N 3.49Å; N258-D260 VanDerWaalsContact O-N 3.17Å; N258-D260 PolarHBondContact OD1-N 2.97Å; N258-D260 VanDerWaalsContact OD1-N 3.11Å; N258-D260 PolarHBondContact OD1-OD2 2.98Å; D260-C262 VanDerWaalsContact C-N 3.35Å; D260-C262 PolarHBondContact O-N 2.98Å; D260-G263 WeakPolarHBondContact O-CA 3.14Å; D260-G263 PolarHBondContact O-N 3.43Å; D260-T264 PolarHBondContact O-N 2.78Å; D260-R298 IonicContact OD1-CZ 3.12Å; D260-R298 VanDerWaalsContact OD1-CZ 3.24Å; D260-R298 IonicContact OD1-NE 2.65Å; D260-R298 PolarHBondContact OD1-NE 3.22Å; D260-R298 IonicContact OD1-NH2 2.75Å; D260-R298 PolarHBondContact OD1-NH2 2.86Å; D260-R298 IonicContact OD2-CZ 2.71Å; D260-R298 IonicContact OD2-NE 3.48Å; D260-R298 IonicContact OD2-NH2 2.84Å; D260-R298 PolarHBondContact OD2-NH2 3.21Å; D260-F302 HydrophobicContact CB-CD2 3.98Å; D260-F302 HydrophobicContact CB-CE2 3.78Å; D260-F302 WeakPolarHBondContact O-CE2 3.32Å; D260-F302 VanDerWaalsContact O-CZ 3.29Å; D260-F302 WeakPolarHBondContact O-CZ 3.35Å; D260-W367 HydrophobicContact CB-CZ3 4.14Å
261	C	71.2	Confident	80.2	Confident	4 Å²	4	20 Å²	20	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-41.3	177.6	-53.9	0	0	0	0	112.2	L256 N258 E259 G263 T264 F265 F356 W367	L256-C261 HydrophobicContact CB-CB 4.48Å; L256-C261 HydrophobicContact CD1-CB 4.39Å; N258-C261 WeakPolarHBondContact O-CB 3.43Å; N258-C261 PolarHBondContact O-N 3.03Å; N258-C261 PolarHBondContact O-SG 3.04Å; E259-C261 PolarHBondContact O-N 3.07Å; C261-G263 PolarHBondContact O-N 3.08Å; C261-T264 PolarHBondContact O-N 3.47Å; C261-F265 WeakPolarHBondContact O-CD2 3.32Å; C261-F356 HydrophobicContact CB-CD2 3.64Å; C261-F356 HydrophobicContact CB-CE2 3.26Å; C261-F356 HydrophobicContact CB-CG 4.42Å; C261-F356 HydrophobicContact CB-CZ 3.77Å; C261-F356 WeakPolarHBondContact SG-CE2 3.27Å; C261-W367 HydrophobicContact CB-CE3 4.29Å
262	C	78	Confident	80.5	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-35.7	175.2	-53	0	0	0	0	110	L256 E259 D260 T264 F265 L266 W299	L256-C262 HydrophobicContact CD1-CB 4.23Å; L256-C262 WeakPolarHBondContact CD1-SG 3.29Å; E259-C262 WeakPolarHBondContact O-CB 3.49Å; E259-C262 PolarHBondContact O-N 3.28Å; D260-C262 VanDerWaalsContact C-N 3.35Å; D260-C262 PolarHBondContact O-N 2.98Å; C262-T264 PolarHBondContact O-N 3.25Å; C262-F265 PolarHBondContact O-N 3.31Å; C262-L266 VanDerWaalsContact O-CG 3.26Å; C262-L266 WeakPolarHBondContact O-CG 3.44Å; C262-L266 PolarHBondContact O-N 3.42Å; C262-L266 VanDerWaalsContact O-N 3.07Å; C262-W299 HydrophobicContact CB-CH2 4.17Å
263	G	84.8	Confident	80.9	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.2	-45.8	-179.6	0	0	0	0	0	112.9	D260 C261 F265 L266 L267 F302	D260-G263 WeakPolarHBondContact O-CA 3.14Å; D260-G263 PolarHBondContact O-N 3.43Å; C261-G263 PolarHBondContact O-N 3.08Å; G263-F265 PolarHBondContact O-N 3.19Å; G263-L266 PolarHBondContact O-N 2.87Å; G263-L267 WeakPolarHBondContact O-CB 3.21Å; G263-L267 VanDerWaalsContact O-CG 3.31Å; G263-L267 WeakPolarHBondContact O-CG 3.33Å; G263-L267 PolarHBondContact O-N 3.22Å; G263-F302 VanDerWaalsContact CA-CE1 3.47Å
264	T	84.7	Confident	81.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-42.7	-178	-49.6	0	0	0	0	112	D260 C261 C262 L267 K268 M352 E353 W367	D260-T264 PolarHBondContact O-N 2.78Å; C261-T264 PolarHBondContact O-N 3.47Å; C262-T264 PolarHBondContact O-N 3.25Å; T264-L267 PolarHBondContact O-N 2.65Å; T264-K268 WeakPolarHBondContact O-CB 3.44Å; T264-K268 PolarHBondContact O-N 3.34Å; T264-M352 HydrophobicContact CG2-CB 3.54Å; T264-E353 HydrophobicContact CG2-CB 4.06Å; T264-E353 VanDerWaalsContact CG2-N 3.29Å; T264-W367 WeakPolarHBondContact OG1-CH2 3.42Å
265	F	83.1	Confident	81.7	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.022	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-45.5	176.3	-69.3	-69	0	0	0	113	L229 L233 C261 C262 G263 L267 K268 L269 E353 F356 L357	L229-F265 HydrophobicContact CD2-CE2 3.65Å; L229-F265 HydrophobicContact CD2-CZ 3.65Å; L233-F265 HydrophobicContact CD1-CD1 3.69Å; L233-F265 HydrophobicContact CD1-CE1 3.45Å; L233-F265 VanDerWaalsContact CD1-CE1 3.45Å; L233-F265 HydrophobicContact CD1-CG 4.37Å; L233-F265 HydrophobicContact CD1-CZ 3.92Å; L233-F265 HydrophobicContact CD2-CB 3.89Å; L233-F265 HydrophobicContact CD2-CD1 3.78Å; L233-F265 HydrophobicContact CD2-CD2 4.24Å; L233-F265 HydrophobicContact CD2-CE1 4.32Å; L233-F265 HydrophobicContact CD2-CG 3.73Å; L233-F265 HydrophobicContact CG-CD1 4.41Å; C261-F265 WeakPolarHBondContact O-CD2 3.32Å; C262-F265 PolarHBondContact O-N 3.31Å; G263-F265 PolarHBondContact O-N 3.19Å; F265-L267 VanDerWaalsContact C-N 3.27Å; F265-L267 PolarHBondContact O-N 3.06Å; F265-K268 WeakPolarHBondContact O-CB 3.31Å; F265-K268 PolarHBondContact O-N 2.9Å; F265-K268 VanDerWaalsContact O-N 3.08Å; F265-L269 WeakPolarHBondContact O-CG 3.29Å; F265-L269 PolarHBondContact O-N 3.29Å; F265-E353 HydrophobicContact CD1-CG 3.52Å; F265-E353 HydrophobicContact CE1-CG 3.41Å; F265-E353 VanDerWaalsContact CE1-CG 3.41Å; F265-E353 HydrophobicContact CZ-CG 4.41Å; F265-F356 HydrophobicContact CD2-CD1 4.32Å; F265-F356 HydrophobicContact CD2-CE1 4.28Å; F265-F356 HydrophobicContact CE1-CD1 4.24Å; F265-F356 AromaticContact CE2-CD1 3.21Å; F265-F356 HydrophobicContact CE2-CD1 3.21Å; F265-F356 AromaticContact CE2-CE1 3.03Å; F265-F356 HydrophobicContact CE2-CE1 3.03Å; F265-F356 HydrophobicContact CE2-CG 4.3Å; F265-F356 AromaticContact CE2-CZ 3.98Å; F265-F356 HydrophobicContact CE2-CZ 3.98Å; F265-F356 AromaticContact CZ-CD1 3.16Å; F265-F356 HydrophobicContact CZ-CD1 3.16Å; F265-F356 AromaticContact CZ-CE1 3.2Å; F265-F356 HydrophobicContact CZ-CE1 3.2Å; F265-F356 HydrophobicContact CZ-CG 4.42Å; F265-F356 HydrophobicContact CZ-CZ 4.46Å; F265-L357 HydrophobicContact CE1-CD1 4.31Å; F265-L357 HydrophobicContact CE1-CD2 3.9Å; F265-L357 HydrophobicContact CE1-CG 4.03Å; F265-L357 HydrophobicContact CZ-CD2 3.6Å; F265-L357 HydrophobicContact CZ-CG 3.98Å
266	L	88.8	Confident	82.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-38.9	179.6	-66.1	175.3	0	0	0	110.5	L236 C262 G263 L269 F270 A282 L285 L286 L289	L236-L266 HydrophobicContact CD1-CD2 4.13Å; C262-L266 VanDerWaalsContact O-CG 3.26Å; C262-L266 WeakPolarHBondContact O-CG 3.44Å; C262-L266 PolarHBondContact O-N 3.42Å; C262-L266 VanDerWaalsContact O-N 3.07Å; G263-L266 PolarHBondContact O-N 2.87Å; L266-L269 PolarHBondContact O-N 3.4Å; L266-F270 VanDerWaalsContact O-CB 3.24Å; L266-F270 WeakPolarHBondContact O-CB 3.3Å; L266-F270 PolarHBondContact O-N 3.14Å; L266-A282 HydrophobicContact CD2-CB 4.35Å; L266-L285 HydrophobicContact CD1-CB 3.99Å; L266-L285 HydrophobicContact CD2-CB 4Å; L266-L285 HydrophobicContact CD2-CD1 3.81Å; L266-L286 HydrophobicContact CB-CD1 4.18Å; L266-L286 HydrophobicContact CB-CD2 3.8Å; L266-L286 HydrophobicContact CB-CG 3.81Å; L266-L286 HydrophobicContact CD1-CD2 4.06Å; L266-L286 HydrophobicContact CD1-CG 4.24Å; L266-L289 HydrophobicContact CD1-CD1 3.51Å
267	L	92.9	Very high	83	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-41	171.4	-72.9	-178.7	0	0	0	111.8	G263 T264 F265 L269 F270 C271 L286 F302 V303 F306 M307 V349	G263-L267 WeakPolarHBondContact O-CB 3.21Å; G263-L267 VanDerWaalsContact O-CG 3.31Å; G263-L267 WeakPolarHBondContact O-CG 3.33Å; G263-L267 PolarHBondContact O-N 3.22Å; T264-L267 PolarHBondContact O-N 2.65Å; F265-L267 VanDerWaalsContact C-N 3.27Å; F265-L267 PolarHBondContact O-N 3.06Å; L267-L269 PolarHBondContact O-N 3.13Å; L267-F270 PolarHBondContact O-N 3.42Å; L267-C271 WeakPolarHBondContact O-CB 2.88Å; L267-C271 PolarHBondContact O-N 2.75Å; L267-C271 PolarHBondContact O-SG 3.21Å; L267-L286 HydrophobicContact CD2-CD1 3.97Å; L267-F302 HydrophobicContact CD1-CD1 4.11Å; L267-F302 HydrophobicContact CD1-CE1 3.66Å; L267-F302 HydrophobicContact CG-CE1 4.42Å; L267-V303 HydrophobicContact CD2-CG2 4.4Å; L267-F306 HydrophobicContact CD1-CB 4.12Å; L267-F306 HydrophobicContact CD1-CD2 3.42Å; L267-F306 VanDerWaalsContact CD1-CD2 3.42Å; L267-F306 HydrophobicContact CD1-CE2 3.92Å; L267-F306 HydrophobicContact CD1-CG 3.84Å; L267-M307 HydrophobicContact CD2-CE 3.53Å; L267-V349 HydrophobicContact CB-CG1 3.84Å; L267-V349 HydrophobicContact CB-CG2 4.22Å
268	K	91.4	Very high	84.2	Confident	49 Å²	49	29.7 Å²	29.7	21%	0.213	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-45.3	177.8	179.4	-100.9	-177.9	171	0	111.3	T264 F265 C272 V349	T264-K268 WeakPolarHBondContact O-CB 3.44Å; T264-K268 PolarHBondContact O-N 3.34Å; F265-K268 WeakPolarHBondContact O-CB 3.31Å; F265-K268 PolarHBondContact O-N 2.9Å; F265-K268 VanDerWaalsContact O-N 3.08Å; K268-C272 WeakPolarHBondContact O-CA 3.4Å; K268-C272 VanDerWaalsContact O-CB 3.23Å; K268-C272 WeakPolarHBondContact O-CB 3.41Å; K268-C272 PolarHBondContact O-N 3.45Å; K268-V349 HydrophobicContact CB-CG1 3.66Å
269	L	90	Very high	85.6	Confident	7 Å²	7	29.5 Å²	29.5	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-47.6	176.1	-67.3	176.7	0	0	0	110.9	L236 E237 F265 L266 L267 C271 H273 V278 R279 A282	L236-L269 HydrophobicContact CB-CD1 3.74Å; L236-L269 HydrophobicContact CD1-CD1 3.86Å; L236-L269 HydrophobicContact CG-CD1 4.48Å; E237-L269 HydrophobicContact CG-CD2 4.24Å; F265-L269 WeakPolarHBondContact O-CG 3.29Å; F265-L269 PolarHBondContact O-N 3.29Å; L266-L269 PolarHBondContact O-N 3.4Å; L267-L269 PolarHBondContact O-N 3.13Å; L269-C271 PolarHBondContact O-N 3.14Å; L269-H273 WeakPolarHBondContact O-CB 3.39Å; L269-H273 PolarHBondContact O-N 3.45Å; L269-V278 HydrophobicContact CB-CG1 4.46Å; L269-V278 HydrophobicContact CD2-CG1 4.12Å; L269-R279 WeakPolarHBondContact O-CG 3.35Å; L269-A282 HydrophobicContact CB-CB 3.62Å; L269-A282 HydrophobicContact CD1-CB 4.46Å
270	F	94.2	Very high	86.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-44.4	178.8	179.5	-89.7	0	0	0	113.1	L266 L267 R279 A282 L286 M307 M315 L319 I323 F326	L266-F270 VanDerWaalsContact O-CB 3.24Å; L266-F270 WeakPolarHBondContact O-CB 3.3Å; L266-F270 PolarHBondContact O-N 3.14Å; L267-F270 PolarHBondContact O-N 3.42Å; F270-R279 PolarHBondContact O-NE 3.01Å; F270-R279 PolarHBondContact O-NH2 3.35Å; F270-A282 HydrophobicContact CB-CB 4.34Å; F270-L286 HydrophobicContact CB-CD1 4.38Å; F270-M307 HydrophobicContact CE1-SD 4.4Å; F270-M315 HydrophobicContact CD1-CE 3.86Å; F270-M315 HydrophobicContact CD2-CE 4.21Å; F270-M315 HydrophobicContact CE1-CE 3.52Å; F270-M315 HydrophobicContact CE2-CE 3.87Å; F270-M315 HydrophobicContact CE2-CG 4.45Å; F270-M315 HydrophobicContact CG-CE 4.21Å; F270-M315 HydrophobicContact CZ-CE 3.53Å; F270-M315 HydrophobicContact CZ-CG 4.48Å; F270-L319 HydrophobicContact CE2-CD1 3.97Å; F270-I323 HydrophobicContact CD2-CG1 4.28Å; F270-I323 HydrophobicContact CE2-CD1 4.27Å; F270-I323 HydrophobicContact CE2-CG1 3.48Å; F270-I323 VanDerWaalsContact CE2-CG1 3.48Å; F270-I323 HydrophobicContact CZ-CG1 3.92Å; F270-F326 HydrophobicContact CE1-CB 4.49Å; F270-F326 HydrophobicContact CE1-CD2 4.3Å; F270-F326 HydrophobicContact CE1-CG 4.36Å
271	C	95.2	Very high	87.6	Confident	8 Å²	8	30 Å²	30	5%	0.054	16%	0.155	C	C	.	.	H	α-helix	trans	-85	-32.1	-173.6	-67.6	0	0	0	0	113.8	L267 L269 F326	L267-C271 WeakPolarHBondContact O-CB 2.88Å; L267-C271 PolarHBondContact O-N 2.75Å; L267-C271 PolarHBondContact O-SG 3.21Å; L269-C271 PolarHBondContact O-N 3.14Å; C271-F326 HydrophobicContact CB-CE1 4.06Å; C271-F326 HydrophobicContact CB-CE2 4.37Å; C271-F326 HydrophobicContact CB-CZ 3.61Å; C271-F326 WeakPolarHBondContact O-CE1 3.39Å; C271-F326 VanDerWaalsContact SG-CZ 3.56Å
272	C	92.9	Very high	88.4	Confident	46 Å²	46	29.8 Å²	29.8	31%	0.311	15%	0.154	S	C	.	.	H	α-helix	trans	-123.2	-10.4	-162.9	-54.6	0	0	0	0	114.9	K268 C346	K268-C272 WeakPolarHBondContact O-CA 3.4Å; K268-C272 VanDerWaalsContact O-CB 3.23Å; K268-C272 WeakPolarHBondContact O-CB 3.41Å; K268-C272 PolarHBondContact O-N 3.45Å; C272-C346 VanDerWaalsContact SG-CB 3.57Å
273	H	90.2	Very high	89.1	Confident	40 Å²	40	29.7 Å²	29.7	19%	0.185	15%	0.153	C	C	.	.			trans	-75.3	143.9	-176.6	-162.6	-87.9	0	0	0	112.1	L269 T275 V278 R279	L269-H273 WeakPolarHBondContact O-CB 3.39Å; L269-H273 PolarHBondContact O-N 3.45Å; H273-T275 VanDerWaalsContact CE1-CB 3.46Å; H273-T275 WeakPolarHBondContact CE1-CB 3.49Å; H273-T275 PolarHBondContact CE1-OG1 2.69Å; H273-T275 WeakPolarHBondContact ND1-CB 3.22Å; H273-T275 PolarHBondContact ND1-N 3.5Å; H273-T275 PolarHBondContact ND1-O 2.91Å; H273-V278 HydrophobicContact CB-CG1 4.15Å; H273-V278 WeakPolarHBondContact ND1-CB 3.37Å; H273-R279 HydrophobicContact CB-CG 4.07Å; H273-R279 WeakPolarHBondContact O-CD 3.4Å
274	E	88.4	Confident	89.3	Confident	197 Å²	197	32.6 Å²	32.6	92%	0.921	16%	0.164	S	C	*	.	S	Bend	trans	-76.9	-34.6	-177.2	-62	-176.1	172.3	0	0	112.6
275	T	86.7	Confident	89.5	Confident	66 Å²	66	32.6 Å²	32.6	41%	0.405	16%	0.164	S	C	.	.			trans	-83.7	126.8	179.7	-46.4	0	0	0	0	111.9	H273 S277 V278 R279	H273-T275 VanDerWaalsContact CE1-CB 3.46Å; H273-T275 WeakPolarHBondContact CE1-CB 3.49Å; H273-T275 PolarHBondContact CE1-OG1 2.69Å; H273-T275 WeakPolarHBondContact ND1-CB 3.22Å; H273-T275 PolarHBondContact ND1-N 3.5Å; H273-T275 PolarHBondContact ND1-O 2.91Å; T275-S277 VanDerWaalsContact CG2-OG 3.29Å; T275-S277 WeakPolarHBondContact CG2-OG 3.05Å; T275-V278 HydrophobicContact CG2-CG2 4.33Å; T275-V278 PolarHBondContact O-N 3.34Å; T275-R279 PolarHBondContact O-N 3.32Å
276	L	89.3	Confident	89.9	Confident	85 Å²	85	32.4 Å²	32.4	45%	0.445	16%	0.163	S	C	.	.	H	α-helix	trans	-61.1	-46.9	-179.9	178.9	61.3	0	0	0	113.2	V278 R279 E280 I323	L276-V278 PolarHBondContact O-N 3.01Å; L276-R279 WeakPolarHBondContact O-CA 3.41Å; L276-R279 WeakPolarHBondContact O-CB 3.29Å; L276-R279 PolarHBondContact O-N 3.27Å; L276-E280 HydrophobicContact CD1-CG 4.29Å; L276-E280 HydrophobicContact CG-CG 4.33Å; L276-E280 WeakPolarHBondContact O-CG 3.29Å; L276-E280 PolarHBondContact O-N 3.2Å; L276-I323 HydrophobicContact CD1-CD1 4.16Å; L276-I323 HydrophobicContact CD1-CG2 3.68Å
277	S	84.9	Confident	90.1	Very high	21 Å²	21	33.8 Å²	33.8	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-33.4	-178.3	50.2	0	0	0	0	113.2	E239 T275 E280 N281	E239-S277 WeakPolarHBondContact CG-OG 3.33Å; E239-S277 PolarHBondContact OE1-OG 3.28Å; E239-S277 VanDerWaalsContact OE1-OG 3.12Å; T275-S277 VanDerWaalsContact CG2-OG 3.29Å; T275-S277 WeakPolarHBondContact CG2-OG 3.05Å; S277-E280 PolarHBondContact O-N 3.03Å; S277-N281 VanDerWaalsContact O-CG 3.28Å; S277-N281 PolarHBondContact O-N 3.18Å; S277-N281 PolarHBondContact O-ND2 3.01Å
278	V	85.2	Confident	90	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-69.3	-39.5	173.8	173.8	0	0	0	0	111.8	L236 E237 L269 H273 T275 L276 E280 N281 A282	L236-V278 WeakPolarHBondContact O-CG1 3.21Å; E237-V278 VanDerWaalsContact C-CG2 3.47Å; E237-V278 WeakPolarHBondContact O-CG2 3.3Å; L269-V278 HydrophobicContact CB-CG1 4.46Å; L269-V278 HydrophobicContact CD2-CG1 4.12Å; H273-V278 HydrophobicContact CB-CG1 4.15Å; H273-V278 WeakPolarHBondContact ND1-CB 3.37Å; T275-V278 HydrophobicContact CG2-CG2 4.33Å; T275-V278 PolarHBondContact O-N 3.34Å; L276-V278 PolarHBondContact O-N 3.01Å; V278-E280 VanDerWaalsContact C-N 3.33Å; V278-N281 PolarHBondContact O-N 3.49Å; V278-A282 PolarHBondContact O-N 3.26Å
279	R	91.2	Very high	89.9	Confident	18 Å²	18	34.3 Å²	34.3	7%	0.068	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-39.7	175.5	-60.6	173.4	73.2	-175.9	3.1	110.9	L269 F270 H273 T275 L276 A282 G283 I323 D327	L269-R279 WeakPolarHBondContact O-CG 3.35Å; F270-R279 PolarHBondContact O-NE 3.01Å; F270-R279 PolarHBondContact O-NH2 3.35Å; H273-R279 HydrophobicContact CB-CG 4.07Å; H273-R279 WeakPolarHBondContact O-CD 3.4Å; T275-R279 PolarHBondContact O-N 3.32Å; L276-R279 WeakPolarHBondContact O-CA 3.41Å; L276-R279 WeakPolarHBondContact O-CB 3.29Å; L276-R279 PolarHBondContact O-N 3.27Å; R279-A282 PolarHBondContact O-N 3.45Å; R279-G283 PolarHBondContact O-N 3.26Å; R279-I323 HydrophobicContact CB-CD1 4.08Å; R279-D327 IonicContact CZ-OD1 2.73Å; R279-D327 IonicContact CZ-OD2 3.83Å; R279-D327 IonicContact NH1-OD1 3.24Å; R279-D327 PolarHBondContact NH1-OD1 2.97Å; R279-D327 IonicContact NH1-OD2 3.69Å; R279-D327 PolarHBondContact NH1-OD2 3.43Å; R279-D327 IonicContact NH2-OD1 3.63Å; R279-D327 PolarHBondContact NH2-OD1 3.39Å; R279-D327 IonicContact NH2-OD2 3.05Å; R279-D327 PolarHBondContact NH2-OD2 2.93Å
280	E	89.8	Confident	90	Very high	55 Å²	55	34.5 Å²	34.5	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-62.2	-45.6	173.8	-70.5	171.1	165.9	0	0	111.2	L276 S277 V278 A282 G283 Y284 L319 I323	L276-E280 HydrophobicContact CD1-CG 4.29Å; L276-E280 HydrophobicContact CG-CG 4.33Å; L276-E280 WeakPolarHBondContact O-CG 3.29Å; L276-E280 PolarHBondContact O-N 3.2Å; S277-E280 PolarHBondContact O-N 3.03Å; V278-E280 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.25Å; E280-G283 PolarHBondContact O-N 3.46Å; E280-Y284 VanDerWaalsContact O-CB 3.24Å; E280-Y284 WeakPolarHBondContact O-CB 3.43Å; E280-Y284 PolarHBondContact O-N 2.99Å; E280-L319 WeakPolarHBondContact O-CD2 3.35Å; E280-I323 HydrophobicContact CB-CD1 4.43Å; E280-I323 HydrophobicContact CG-CD1 3.64Å
281	N	86	Confident	89.8	Confident	22 Å²	22	38 Å²	38	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-48.7	174.9	-74.1	-25.5	0	0	0	111.8	L238 S277 V278 G283 Y284 L285	L238-N281 PolarHBondContact O-ND2 3.06Å; S277-N281 VanDerWaalsContact O-CG 3.28Å; S277-N281 PolarHBondContact O-N 3.18Å; S277-N281 PolarHBondContact O-ND2 3.01Å; V278-N281 PolarHBondContact O-N 3.49Å; N281-G283 PolarHBondContact O-N 3.03Å; N281-Y284 PolarHBondContact O-N 2.64Å; N281-L285 WeakPolarHBondContact O-CG 3.4Å; N281-L285 PolarHBondContact O-N 2.89Å
282	A	89.3	Confident	89.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-44	178	0	0	0	0	0	112.2	L266 L269 F270 V278 R279 E280 L285 L286	L266-A282 HydrophobicContact CD2-CB 4.35Å; L269-A282 HydrophobicContact CB-CB 3.62Å; L269-A282 HydrophobicContact CD1-CB 4.46Å; F270-A282 HydrophobicContact CB-CB 4.34Å; V278-A282 PolarHBondContact O-N 3.26Å; R279-A282 PolarHBondContact O-N 3.45Å; E280-A282 PolarHBondContact O-N 3.25Å; A282-L285 PolarHBondContact O-N 3.28Å; A282-L286 WeakPolarHBondContact O-CG 3.41Å; A282-L286 PolarHBondContact O-N 2.93Å
283	G	92.4	Very high	89.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-44.1	175.4	0	0	0	0	0	112.9	R279 E280 N281 L285 L286 V287	R279-G283 PolarHBondContact O-N 3.26Å; E280-G283 PolarHBondContact O-N 3.46Å; N281-G283 PolarHBondContact O-N 3.03Å; G283-L285 VanDerWaalsContact C-N 3.31Å; G283-L285 PolarHBondContact O-N 2.91Å; G283-L286 CarbonylContact O-C 3.59Å; G283-L286 WeakPolarHBondContact O-CB 3.27Å; G283-L286 PolarHBondContact O-N 3.46Å; G283-L286 VanDerWaalsContact O-N 3.12Å; G283-V287 WeakPolarHBondContact O-CG2 3.45Å; G283-V287 PolarHBondContact O-N 3.12Å
284	Y	89.4	Confident	89.2	Confident	62 Å²	62	48.1 Å²	48.1	24%	0.243	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-41.2	176.1	173.3	-91.7	0	0	0	111.5	E242 E280 N281 V287 K288	E242-Y284 HydrophobicContact CG-CE1 4.2Å; E242-Y284 HydrophobicContact CG-CE2 4.43Å; E242-Y284 WeakPolarHBondContact CG-OH 3.41Å; E242-Y284 PolarHBondContact OE1-OH 3.05Å; E280-Y284 VanDerWaalsContact O-CB 3.24Å; E280-Y284 WeakPolarHBondContact O-CB 3.43Å; E280-Y284 PolarHBondContact O-N 2.99Å; N281-Y284 PolarHBondContact O-N 2.64Å; Y284-V287 PolarHBondContact O-N 3.01Å; Y284-K288 HydrophobicContact CD1-CD 4.48Å; Y284-K288 HydrophobicContact CE1-CD 3.7Å; Y284-K288 HydrophobicContact CE1-CG 4.3Å; Y284-K288 PolarHBondContact O-N 3.05Å; Y284-K288 WeakPolarHBondContact OH-CE 3.21Å; Y284-K288 PolarHBondContact OH-NZ 2.93Å
285	L	89	Confident	89.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-40.1	173.9	-65.1	-173.8	0	0	0	112.4	L236 C245 L249 L266 N281 A282 G283 V287 K288 L289	L236-L285 HydrophobicContact CD2-CD1 3.67Å; C245-L285 HydrophobicContact CB-CD2 4.3Å; L249-L285 HydrophobicContact CB-CD1 4.36Å; L249-L285 HydrophobicContact CB-CD2 3.72Å; L249-L285 HydrophobicContact CD1-CB 4.38Å; L249-L285 HydrophobicContact CD1-CD1 4.46Å; L249-L285 HydrophobicContact CD1-CD2 4.41Å; L249-L285 HydrophobicContact CD2-CD2 3.93Å; L249-L285 HydrophobicContact CG-CD2 4.2Å; L266-L285 HydrophobicContact CD1-CB 3.99Å; L266-L285 HydrophobicContact CD2-CB 4Å; L266-L285 HydrophobicContact CD2-CD1 3.81Å; N281-L285 WeakPolarHBondContact O-CG 3.4Å; N281-L285 PolarHBondContact O-N 2.89Å; A282-L285 PolarHBondContact O-N 3.28Å; G283-L285 VanDerWaalsContact C-N 3.31Å; G283-L285 PolarHBondContact O-N 2.91Å; L285-V287 VanDerWaalsContact C-N 3.32Å; L285-V287 PolarHBondContact O-N 2.82Å; L285-K288 PolarHBondContact O-N 3.47Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 3.33Å
286	L	91.5	Very high	89.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-38.3	172.9	-72.1	167.4	0	0	0	112	L266 L267 F270 A282 G283 L289 Q290 V303 M315	L266-L286 HydrophobicContact CB-CD1 4.18Å; L266-L286 HydrophobicContact CB-CD2 3.8Å; L266-L286 HydrophobicContact CB-CG 3.81Å; L266-L286 HydrophobicContact CD1-CD2 4.06Å; L266-L286 HydrophobicContact CD1-CG 4.24Å; L267-L286 HydrophobicContact CD2-CD1 3.97Å; F270-L286 HydrophobicContact CB-CD1 4.38Å; A282-L286 WeakPolarHBondContact O-CG 3.41Å; A282-L286 PolarHBondContact O-N 2.93Å; G283-L286 CarbonylContact O-C 3.59Å; G283-L286 WeakPolarHBondContact O-CB 3.27Å; G283-L286 PolarHBondContact O-N 3.46Å; G283-L286 VanDerWaalsContact O-N 3.12Å; L286-L289 PolarHBondContact O-N 2.93Å; L286-Q290 WeakPolarHBondContact O-CB 3.27Å; L286-Q290 VanDerWaalsContact O-CG 3.27Å; L286-Q290 WeakPolarHBondContact O-CG 3.44Å; L286-Q290 PolarHBondContact O-N 3.33Å; L286-Q290 PolarHBondContact O-NE2 3.1Å; L286-V303 HydrophobicContact CD2-CG2 4.36Å; L286-M315 HydrophobicContact CB-SD 4.43Å; L286-M315 HydrophobicContact CD1-CE 4.4Å; L286-M315 HydrophobicContact CD1-SD 4.31Å
287	V	93.1	Very high	89.4	Confident	29 Å²	29	39.9 Å²	39.9	18%	0.176	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-44.6	174.9	171.6	0	0	0	0	110.8	G283 Y284 L285 L289 Q290 S291 M315 R316	G283-V287 WeakPolarHBondContact O-CG2 3.45Å; G283-V287 PolarHBondContact O-N 3.12Å; Y284-V287 PolarHBondContact O-N 3.01Å; L285-V287 VanDerWaalsContact C-N 3.32Å; L285-V287 PolarHBondContact O-N 2.82Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 3.44Å; V287-Q290 PolarHBondContact O-N 3.43Å; V287-S291 VanDerWaalsContact O-CB 3.3Å; V287-S291 WeakPolarHBondContact O-CB 3.49Å; V287-S291 PolarHBondContact O-N 3.17Å; V287-S291 PolarHBondContact O-OG 3.29Å; V287-M315 HydrophobicContact CG2-CB 3.93Å; V287-M315 WeakPolarHBondContact CG2-O 3.49Å; V287-R316 HydrophobicContact CG1-CG 4.48Å
288	K	89.3	Confident	89.7	Confident	61 Å²	61	43.4 Å²	43.4	27%	0.265	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-39.8	173.8	-85.6	-172.8	160.7	166.9	0	112.3	S246 L249 Y284 L285 D292	S246-K288 PolarHBondContact OG-NZ 3.46Å; L249-K288 HydrophobicContact CD2-CB 4.14Å; L249-K288 HydrophobicContact CD2-CD 4.32Å; Y284-K288 HydrophobicContact CD1-CD 4.48Å; Y284-K288 HydrophobicContact CE1-CD 3.7Å; Y284-K288 HydrophobicContact CE1-CG 4.3Å; Y284-K288 PolarHBondContact O-N 3.05Å; Y284-K288 WeakPolarHBondContact OH-CE 3.21Å; Y284-K288 PolarHBondContact OH-NZ 2.93Å; L285-K288 PolarHBondContact O-N 3.47Å; K288-D292 PolarHBondContact O-N 2.92Å
289	L	89.7	Confident	90	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-67.5	-45.7	177.1	-69.8	165.8	0	0	0	112	L249 L266 L285 L286 V287 S291 D292 G296 W299	L249-L289 HydrophobicContact CD1-CD1 4.38Å; L249-L289 HydrophobicContact CD1-CD2 4.28Å; L249-L289 HydrophobicContact CD1-CG 4.38Å; L266-L289 HydrophobicContact CD1-CD1 3.51Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 3.33Å; L286-L289 PolarHBondContact O-N 2.93Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 3.44Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.44Å; L289-D292 WeakPolarHBondContact O-CB 3.3Å; L289-D292 PolarHBondContact O-N 2.87Å; L289-G296 WeakPolarHBondContact O-CA 3.26Å; L289-W299 HydrophobicContact CB-CB 4.21Å; L289-W299 HydrophobicContact CB-CD2 3.85Å; L289-W299 HydrophobicContact CB-CE3 4.44Å; L289-W299 HydrophobicContact CB-CG 3.73Å; L289-W299 HydrophobicContact CB-CZ2 4.49Å; L289-W299 HydrophobicContact CD1-CD2 4.33Å; L289-W299 HydrophobicContact CD1-CE3 4.28Å; L289-W299 HydrophobicContact CD1-CH2 3.82Å; L289-W299 HydrophobicContact CD1-CZ2 4Å; L289-W299 HydrophobicContact CD1-CZ3 4.06Å; L289-W299 HydrophobicContact CD2-CD2 4.37Å; L289-W299 HydrophobicContact CD2-CH2 4.15Å; L289-W299 HydrophobicContact CD2-CZ2 3.49Å; L289-W299 VanDerWaalsContact CD2-CZ2 3.49Å; L289-W299 HydrophobicContact CG-CD2 4.4Å; L289-W299 HydrophobicContact CG-CZ2 4.2Å; L289-W299 VanDerWaalsContact O-CD1 3.22Å
290	Q	92.2	Very high	90	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-26.9	177.9	-70.2	176.8	79.1	0	0	113.6	L286 V287 D292 G296 W299 A312 R316	L286-Q290 WeakPolarHBondContact O-CB 3.27Å; L286-Q290 VanDerWaalsContact O-CG 3.27Å; L286-Q290 WeakPolarHBondContact O-CG 3.44Å; L286-Q290 PolarHBondContact O-N 3.33Å; L286-Q290 PolarHBondContact O-NE2 3.1Å; V287-Q290 PolarHBondContact O-N 3.43Å; Q290-D292 VanDerWaalsContact C-N 3.31Å; Q290-G296 WeakPolarHBondContact O-CA 3.49Å; Q290-W299 HydrophobicContact CG-CB 4Å; Q290-A312 PolarHBondContact OE1-O 3Å; Q290-R316 HydrophobicContact CB-CG 4.38Å
291	S	91	Very high	90.1	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.1	179.1	-52.7	0	0	0	0	113.3	V287 L289	V287-S291 VanDerWaalsContact O-CB 3.3Å; V287-S291 WeakPolarHBondContact O-CB 3.49Å; V287-S291 PolarHBondContact O-N 3.17Å; V287-S291 PolarHBondContact O-OG 3.29Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.44Å
292	D	87.8	Confident	90.4	Very high	37 Å²	37	50 Å²	50	20%	0.198	26%	0.256	C	S	.	.			trans	-64.2	129.8	177	-173.5	-89.4	0	0	0	111	K288 L289 Q290 L294 H295 G296	K288-D292 PolarHBondContact O-N 2.92Å; L289-D292 WeakPolarHBondContact O-CB 3.3Å; L289-D292 PolarHBondContact O-N 2.87Å; Q290-D292 VanDerWaalsContact C-N 3.31Å; D292-L294 VanDerWaalsContact C-N 3.25Å; D292-L294 PolarHBondContact O-N 3.37Å; D292-L294 PolarHBondContact OD1-N 2.97Å; D292-H295 IonicContact OD1-CG 2.68Å; D292-H295 PolarHBondContact OD1-N 3.4Å; D292-H295 IonicContact OD1-ND1 3.73Å; D292-H295 PolarHBondContact OD1-ND1 3.31Å; D292-G296 WeakPolarHBondContact O-CA 3.24Å; D292-G296 PolarHBondContact O-N 3.29Å
293	P	89.3	Confident	90.6	Very high	125 Å²	125	50 Å²	50	81%	0.812	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26	-175.6	-25.5	34.5	0	0	0	115.3
294	L	88.3	Confident	90.6	Very high	145 Å²	145	51 Å²	51	76%	0.759	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-43.5	-174.7	-66.4	175.2	0	0	0	111.5	D292	D292-L294 VanDerWaalsContact C-N 3.25Å; D292-L294 PolarHBondContact O-N 3.37Å; D292-L294 PolarHBondContact OD1-N 2.97Å
295	H	86.4	Confident	90.8	Very high	76 Å²	76	50.4 Å²	50.4	35%	0.352	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-4.8	-170.9	-47.6	96	0	0	0	113	E259 D292 R298 W299	E259-H295 IonicContact OE2-CG 2.78Å; D292-H295 IonicContact OD1-CG 2.68Å; D292-H295 PolarHBondContact OD1-N 3.4Å; D292-H295 IonicContact OD1-ND1 3.73Å; D292-H295 PolarHBondContact OD1-ND1 3.31Å; H295-R298 VanDerWaalsContact O-CB 3.26Å; H295-R298 WeakPolarHBondContact O-CB 3.46Å; H295-R298 PolarHBondContact O-N 3.35Å; H295-W299 PolarHBondContact O-N 2.81Å
296	G	90	Very high	91	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-49.8	-49.1	-179.2	0	0	0	0	0	114.8	L289 Q290 D292 R298 W299 T300	L289-G296 WeakPolarHBondContact O-CA 3.26Å; Q290-G296 WeakPolarHBondContact O-CA 3.49Å; D292-G296 WeakPolarHBondContact O-CA 3.24Å; D292-G296 PolarHBondContact O-N 3.29Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 2.76Å; G296-W299 WeakPolarHBondContact O-CB 3.45Å; G296-W299 PolarHBondContact O-N 3.15Å; G296-T300 PolarHBondContact O-N 2.85Å; G296-T300 PolarHBondContact O-OG1 3Å
297	P	91.4	Very high	91.2	Very high	98 Å²	98	50.4 Å²	50.4	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-32.3	177.6	-26.7	35.7	0	0	0	114.3	R301	P297-R301 WeakPolarHBondContact O-CB 3.42Å; P297-R301 PolarHBondContact O-N 3.47Å
298	R	91.1	Very high	91.1	Very high	94 Å²	94	49.6 Å²	49.6	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-43.5	174.9	175.7	-168.1	176.4	175.9	10.7	110.2	N258 E259 D260 H295 G296 R301 F302	N258-R298 PolarHBondContact OD1-NH2 2.99Å; E259-R298 IonicContact OE2-NH1 3.68Å; E259-R298 PolarHBondContact OE2-NH1 3.3Å; D260-R298 IonicContact OD1-CZ 3.12Å; D260-R298 VanDerWaalsContact OD1-CZ 3.24Å; D260-R298 IonicContact OD1-NE 2.65Å; D260-R298 PolarHBondContact OD1-NE 3.22Å; D260-R298 IonicContact OD1-NH2 2.75Å; D260-R298 PolarHBondContact OD1-NH2 2.86Å; D260-R298 IonicContact OD2-CZ 2.71Å; D260-R298 IonicContact OD2-NE 3.48Å; D260-R298 IonicContact OD2-NH2 2.84Å; D260-R298 PolarHBondContact OD2-NH2 3.21Å; H295-R298 VanDerWaalsContact O-CB 3.26Å; H295-R298 WeakPolarHBondContact O-CB 3.46Å; H295-R298 PolarHBondContact O-N 3.35Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 2.76Å; R298-R301 WeakPolarHBondContact O-CB 3.49Å; R298-R301 PolarHBondContact O-N 2.92Å; R298-F302 PolarHBondContact O-N 3.24Å
299	W	91.1	Very high	91.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-40.2	178.2	-70.1	113.9	0	0	0	113.1	E259 C262 L289 Q290 H295 G296 R301 F302 V303	E259-W299 HydrophobicContact CB-CH2 4.11Å; E259-W299 HydrophobicContact CB-CZ2 3.51Å; E259-W299 HydrophobicContact CG-CZ2 4.17Å; E259-W299 WeakPolarHBondContact O-CH2 3.3Å; C262-W299 HydrophobicContact CB-CH2 4.17Å; L289-W299 HydrophobicContact CB-CB 4.21Å; L289-W299 HydrophobicContact CB-CD2 3.85Å; L289-W299 HydrophobicContact CB-CE3 4.44Å; L289-W299 HydrophobicContact CB-CG 3.73Å; L289-W299 HydrophobicContact CB-CZ2 4.49Å; L289-W299 HydrophobicContact CD1-CD2 4.33Å; L289-W299 HydrophobicContact CD1-CE3 4.28Å; L289-W299 HydrophobicContact CD1-CH2 3.82Å; L289-W299 HydrophobicContact CD1-CZ2 4Å; L289-W299 HydrophobicContact CD1-CZ3 4.06Å; L289-W299 HydrophobicContact CD2-CD2 4.37Å; L289-W299 HydrophobicContact CD2-CH2 4.15Å; L289-W299 HydrophobicContact CD2-CZ2 3.49Å; L289-W299 VanDerWaalsContact CD2-CZ2 3.49Å; L289-W299 HydrophobicContact CG-CD2 4.4Å; L289-W299 HydrophobicContact CG-CZ2 4.2Å; L289-W299 VanDerWaalsContact O-CD1 3.22Å; Q290-W299 HydrophobicContact CG-CB 4Å; H295-W299 PolarHBondContact O-N 2.81Å; G296-W299 WeakPolarHBondContact O-CB 3.45Å; G296-W299 PolarHBondContact O-N 3.15Å; W299-R301 VanDerWaalsContact C-N 3.27Å; W299-R301 PolarHBondContact O-N 3.01Å; W299-F302 HydrophobicContact CE3-CB 4.34Å; W299-F302 HydrophobicContact CE3-CG 4.48Å; W299-F302 WeakPolarHBondContact O-CB 3.37Å; W299-F302 PolarHBondContact O-N 2.95Å; W299-F302 VanDerWaalsContact O-N 3.16Å; W299-V303 WeakPolarHBondContact O-CG2 3.39Å; W299-V303 PolarHBondContact O-N 3.06Å
300	T	92.8	Very high	91.3	Very high	40 Å²	40	51.5 Å²	51.5	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-41.7	172.4	-55.3	0	0	0	0	110.9	G296 G304 A312	G296-T300 PolarHBondContact O-N 2.85Å; G296-T300 PolarHBondContact O-OG1 3Å; T300-G304 PolarHBondContact O-N 3.3Å; T300-A312 HydrophobicContact CG2-CB 4.05Å
301	R	91.3	Very high	91.5	Very high	189 Å²	189	51 Å²	51	71%	0.713	28%	0.278	S	S	*	.	H	α-helix	trans	-66.3	-40.9	174.5	-174	177	-177.3	157.8	1	112.2	P297 R298 W299 G304 N305	P297-R301 WeakPolarHBondContact O-CB 3.42Å; P297-R301 PolarHBondContact O-N 3.47Å; R298-R301 WeakPolarHBondContact O-CB 3.49Å; R298-R301 PolarHBondContact O-N 2.92Å; W299-R301 VanDerWaalsContact C-N 3.27Å; W299-R301 PolarHBondContact O-N 3.01Å; R301-G304 CarbonylContact O-C 3.47Å; R301-G304 WeakPolarHBondContact O-CA 3.35Å; R301-G304 PolarHBondContact O-N 3.21Å; R301-G304 VanDerWaalsContact O-N 3.13Å; R301-N305 PolarHBondContact O-N 3.02Å; R301-N305 PolarHBondContact O-OD1 3.41Å
302	F	91.4	Very high	91.6	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-47.8	177.8	-175.6	-87.4	0	0	0	111.4	D260 G263 L267 R298 W299 G304 N305 F306 L369	D260-F302 HydrophobicContact CB-CD2 3.98Å; D260-F302 HydrophobicContact CB-CE2 3.78Å; D260-F302 WeakPolarHBondContact O-CE2 3.32Å; D260-F302 VanDerWaalsContact O-CZ 3.29Å; D260-F302 WeakPolarHBondContact O-CZ 3.35Å; G263-F302 VanDerWaalsContact CA-CE1 3.47Å; L267-F302 HydrophobicContact CD1-CD1 4.11Å; L267-F302 HydrophobicContact CD1-CE1 3.66Å; L267-F302 HydrophobicContact CG-CE1 4.42Å; R298-F302 PolarHBondContact O-N 3.24Å; W299-F302 HydrophobicContact CE3-CB 4.34Å; W299-F302 HydrophobicContact CE3-CG 4.48Å; W299-F302 WeakPolarHBondContact O-CB 3.37Å; W299-F302 PolarHBondContact O-N 2.95Å; W299-F302 VanDerWaalsContact O-N 3.16Å; F302-G304 VanDerWaalsContact C-N 3.29Å; F302-G304 PolarHBondContact O-N 3.13Å; F302-N305 WeakPolarHBondContact O-CB 3.43Å; F302-N305 PolarHBondContact O-N 3.43Å; F302-N305 VanDerWaalsContact O-N 3.17Å; F302-F306 HydrophobicContact CE1-CD2 4.4Å; F302-F306 AromaticContact CE1-CE2 3.93Å; F302-F306 HydrophobicContact CE1-CE2 3.93Å; F302-F306 HydrophobicContact CE2-CE2 4.32Å; F302-F306 AromaticContact CZ-CE2 3.79Å; F302-F306 HydrophobicContact CZ-CE2 3.79Å; F302-F306 WeakPolarHBondContact O-CD2 3.24Å; F302-L369 HydrophobicContact CD2-CD1 4.12Å; F302-L369 HydrophobicContact CE2-CD1 3.78Å; F302-L369 HydrophobicContact CE2-CG 4.14Å
303	V	93.8	Very high	91.8	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-43	173.1	177.3	0	0	0	0	110.8	L267 L286 W299 N305 F306 M307 A312 M315	L267-V303 HydrophobicContact CD2-CG2 4.4Å; L286-V303 HydrophobicContact CD2-CG2 4.36Å; W299-V303 WeakPolarHBondContact O-CG2 3.39Å; W299-V303 PolarHBondContact O-N 3.06Å; V303-N305 PolarHBondContact O-N 2.97Å; V303-F306 PolarHBondContact O-N 3.24Å; V303-F306 VanDerWaalsContact O-N 3.11Å; V303-M307 HydrophobicContact CG1-CE 3.57Å; V303-M307 PolarHBondContact O-N 3.14Å; V303-A312 HydrophobicContact CB-CB 4.19Å; V303-A312 HydrophobicContact CG1-CB 3.88Å; V303-M315 HydrophobicContact CG1-CE 4.3Å; V303-M315 HydrophobicContact CG1-SD 4.45Å
304	G	92.9	Very high	92	Very high	21 Å²	21	43.6 Å²	43.6	22%	0.216	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-19.8	177.5	0	0	0	0	0	115.5	T300 R301 F302 F306 M307	T300-G304 PolarHBondContact O-N 3.3Å; R301-G304 CarbonylContact O-C 3.47Å; R301-G304 WeakPolarHBondContact O-CA 3.35Å; R301-G304 PolarHBondContact O-N 3.21Å; R301-G304 VanDerWaalsContact O-N 3.13Å; F302-G304 VanDerWaalsContact C-N 3.29Å; F302-G304 PolarHBondContact O-N 3.13Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 3.13Å; G304-M307 WeakPolarHBondContact CA-O 3.19Å
305	N	92.9	Very high	92.3	Very high	49 Å²	49	36.8 Å²	36.8	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-68.6	-29.6	173.8	-66.8	-24.3	0	0	0	111.5	R301 F302 V303 L369 F373 T375	R301-N305 PolarHBondContact O-N 3.02Å; R301-N305 PolarHBondContact O-OD1 3.41Å; F302-N305 WeakPolarHBondContact O-CB 3.43Å; F302-N305 PolarHBondContact O-N 3.43Å; F302-N305 VanDerWaalsContact O-N 3.17Å; V303-N305 PolarHBondContact O-N 2.97Å; N305-L369 HydrophobicContact CB-CD1 4.4Å; N305-L369 WeakPolarHBondContact ND2-CD1 3.47Å; N305-F373 HydrophobicContact CB-CE1 4.19Å; N305-T375 PolarHBondContact O-OG1 2.93Å
306	F	94.9	Very high	92.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-103.3	-33.6	-176.4	-68.6	-89.7	0	0	0	113.7	L267 F302 V303 G304 V345 V349 M352 L369 F373 P376 Y377	L267-F306 HydrophobicContact CD1-CB 4.12Å; L267-F306 HydrophobicContact CD1-CD2 3.42Å; L267-F306 VanDerWaalsContact CD1-CD2 3.42Å; L267-F306 HydrophobicContact CD1-CE2 3.92Å; L267-F306 HydrophobicContact CD1-CG 3.84Å; F302-F306 HydrophobicContact CE1-CD2 4.4Å; F302-F306 AromaticContact CE1-CE2 3.93Å; F302-F306 HydrophobicContact CE1-CE2 3.93Å; F302-F306 HydrophobicContact CE2-CE2 4.32Å; F302-F306 AromaticContact CZ-CE2 3.79Å; F302-F306 HydrophobicContact CZ-CE2 3.79Å; F302-F306 WeakPolarHBondContact O-CD2 3.24Å; V303-F306 PolarHBondContact O-N 3.24Å; V303-F306 VanDerWaalsContact O-N 3.11Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 3.13Å; F306-V345 WeakPolarHBondContact O-CG2 3.35Å; F306-V349 HydrophobicContact CB-CG2 4.35Å; F306-V349 HydrophobicContact CD1-CG2 3.47Å; F306-V349 VanDerWaalsContact CD1-CG2 3.47Å; F306-V349 HydrophobicContact CE1-CG2 3.92Å; F306-V349 HydrophobicContact CG-CG2 4.06Å; F306-M352 HydrophobicContact CE1-CB 4.36Å; F306-M352 HydrophobicContact CE1-CG 3.81Å; F306-M352 HydrophobicContact CZ-CB 4.27Å; F306-M352 HydrophobicContact CZ-CG 3.88Å; F306-L369 HydrophobicContact CE2-CD1 4.16Å; F306-L369 HydrophobicContact CE2-CD2 4.09Å; F306-L369 HydrophobicContact CZ-CD2 3.69Å; F306-F373 HydrophobicContact CD1-CE1 4.44Å; F306-F373 AromaticContact CD1-CZ 3.7Å; F306-F373 HydrophobicContact CD1-CZ 3.7Å; F306-F373 HydrophobicContact CE1-CE1 4.28Å; F306-F373 AromaticContact CE1-CE2 3.92Å; F306-F373 HydrophobicContact CE1-CE2 3.92Å; F306-F373 AromaticContact CE1-CZ 3.4Å; F306-F373 HydrophobicContact CE1-CZ 3.4Å; F306-F373 VanDerWaalsContact CE1-CZ 3.4Å; F306-F373 HydrophobicContact CE2-CZ 4.46Å; F306-F373 HydrophobicContact CG-CZ 4.37Å; F306-F373 HydrophobicContact CZ-CE1 4.39Å; F306-F373 HydrophobicContact CZ-CE2 4.32Å; F306-F373 AromaticContact CZ-CZ 3.84Å; F306-F373 HydrophobicContact CZ-CZ 3.84Å; F306-P376 WeakPolarHBondContact O-CG 3.45Å; F306-Y377 WeakPolarHBondContact O-CD1 3.42Å; F306-Y377 VanDerWaalsContact O-CE1 3.24Å; F306-Y377 WeakPolarHBondContact O-CE1 3.36Å
307	M	93.8	Very high	92.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-128.8	156.6	-173	-69.9	-176.5	-64.8	0	0	112.1	L267 F270 V303 G304 F311 M315 F326 V345 Y377	L267-M307 HydrophobicContact CD2-CE 3.53Å; F270-M307 HydrophobicContact CE1-SD 4.4Å; V303-M307 HydrophobicContact CG1-CE 3.57Å; V303-M307 PolarHBondContact O-N 3.14Å; G304-M307 WeakPolarHBondContact CA-O 3.19Å; M307-F311 HydrophobicContact CB-CB 4.23Å; M307-F311 HydrophobicContact CB-CD2 3.97Å; M307-F311 HydrophobicContact CB-CG 4.36Å; M307-F311 HydrophobicContact CE-CB 4.48Å; M307-F311 HydrophobicContact SD-CB 4.44Å; M307-F311 HydrophobicContact SD-CG 4.39Å; M307-M315 HydrophobicContact CE-CE 3.57Å; M307-F326 HydrophobicContact CG-CE2 4.46Å; M307-F326 HydrophobicContact SD-CD2 3.87Å; M307-F326 HydrophobicContact SD-CE2 3.63Å; M307-V345 HydrophobicContact CG-CG1 3.78Å; M307-V345 HydrophobicContact CG-CG2 4.48Å; M307-V345 HydrophobicContact SD-CG1 4.48Å; M307-Y377 VanDerWaalsContact C-OH 3.23Å; M307-Y377 PolarHBondContact O-OH 3.37Å
308	P	92.7	Very high	92.9	Very high	12 Å²	12	40.4 Å²	40.4	8%	0.078	20%	0.199	C	C	.	.			trans	-51.5	140.3	170.6	-29.2	35.2	0	0	0	112	V310 F311 L335 W337 Y377	P308-V310 PolarHBondContact O-N 3.33Å; P308-F311 HydrophobicContact CB-CD2 4.01Å; P308-F311 HydrophobicContact CB-CE2 4.25Å; P308-F311 HydrophobicContact CG-CD2 4.12Å; P308-F311 HydrophobicContact CG-CE2 3.99Å; P308-F311 PolarHBondContact O-N 2.92Å; P308-L335 HydrophobicContact CB-CD1 3.75Å; P308-L335 HydrophobicContact CG-CD1 3.84Å; P308-W337 HydrophobicContact CG-CE3 3.91Å; P308-W337 HydrophobicContact CG-CZ3 3.9Å; P308-Y377 VanDerWaalsContact CA-OH 3.31Å; P308-Y377 WeakPolarHBondContact CA-OH 3.38Å; P308-Y377 HydrophobicContact CG-CE1 4.23Å; P308-Y377 HydrophobicContact CG-CE2 3.98Å; P308-Y377 VanDerWaalsContact N-OH 3.16Å
309	P	90.5	Very high	93	Very high	83 Å²	83	37.6 Å²	37.6	54%	0.539	19%	0.191	S	C	.	.	H	α-helix	trans	-53.5	-29.5	-175.6	-29.2	35.2	0	0	0	114.9	F311 A312 D313	P309-F311 PolarHBondContact O-N 3.25Å; P309-A312 WeakPolarHBondContact O-CB 3.43Å; P309-A312 PolarHBondContact O-N 3.25Å; P309-A312 VanDerWaalsContact O-N 3.08Å; P309-D313 PolarHBondContact O-N 3.47Å
310	V	92.3	Very high	93.2	Very high	19 Å²	19	43.7 Å²	43.7	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-55.1	-33.3	177	179.6	0	0	0	0	112.4	P308 D313 M314 E334	P308-V310 PolarHBondContact O-N 3.33Å; V310-D313 PolarHBondContact O-N 3.19Å; V310-M314 VanDerWaalsContact O-CB 3.3Å; V310-M314 WeakPolarHBondContact O-CB 3.33Å; V310-M314 PolarHBondContact O-N 3.4Å; V310-E334 HydrophobicContact CG2-CB 4.2Å; V310-E334 WeakPolarHBondContact CG2-O 3.29Å
311	F	95	Very high	93.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.8	-41.5	177.7	-74.3	-74	0	0	0	112.3	M307 P308 P309 D313 M314 M315 L325 F326 L335 W337	M307-F311 HydrophobicContact CB-CB 4.23Å; M307-F311 HydrophobicContact CB-CD2 3.97Å; M307-F311 HydrophobicContact CB-CG 4.36Å; M307-F311 HydrophobicContact CE-CB 4.48Å; M307-F311 HydrophobicContact SD-CB 4.44Å; M307-F311 HydrophobicContact SD-CG 4.39Å; P308-F311 HydrophobicContact CB-CD2 4.01Å; P308-F311 HydrophobicContact CB-CE2 4.25Å; P308-F311 HydrophobicContact CG-CD2 4.12Å; P308-F311 HydrophobicContact CG-CE2 3.99Å; P308-F311 PolarHBondContact O-N 2.92Å; P309-F311 PolarHBondContact O-N 3.25Å; F311-D313 VanDerWaalsContact C-N 3.29Å; F311-D313 PolarHBondContact O-N 2.9Å; F311-M314 PolarHBondContact O-N 3.37Å; F311-M315 VanDerWaalsContact O-CG 3.22Å; F311-M315 WeakPolarHBondContact O-CG 3.45Å; F311-M315 PolarHBondContact O-N 3.01Å; F311-L325 HydrophobicContact CE1-CB 4.27Å; F311-L325 HydrophobicContact CE1-CD2 4.16Å; F311-L325 HydrophobicContact CE1-CG 3.96Å; F311-L325 HydrophobicContact CZ-CG 4.32Å; F311-F326 HydrophobicContact CD1-CB 4.48Å; F311-F326 HydrophobicContact CD1-CD2 4.5Å; F311-F326 HydrophobicContact CE1-CB 3.8Å; F311-F326 HydrophobicContact CE1-CD2 4.08Å; F311-F326 HydrophobicContact CE1-CG 4.45Å; F311-F326 HydrophobicContact CZ-CB 4.46Å; F311-F326 HydrophobicContact CZ-CD2 4.26Å; F311-L335 HydrophobicContact CE2-CD1 4.07Å; F311-W337 AromaticContact CE2-CD2 3.92Å; F311-W337 HydrophobicContact CE2-CD2 3.92Å; F311-W337 AromaticContact CE2-CE3 3.99Å; F311-W337 HydrophobicContact CE2-CE3 3.99Å; F311-W337 HydrophobicContact CE2-CG 4.44Å; F311-W337 HydrophobicContact CE2-CH2 4.31Å; F311-W337 HydrophobicContact CE2-CZ2 4.25Å; F311-W337 HydrophobicContact CE2-CZ3 4.2Å; F311-W337 AromaticContact CZ-CD2 3.91Å; F311-W337 HydrophobicContact CZ-CD2 3.91Å; F311-W337 AromaticContact CZ-CE2 3.76Å; F311-W337 HydrophobicContact CZ-CE3 4.45Å; F311-W337 HydrophobicContact CZ-CG 4.13Å; F311-W337 HydrophobicContact CZ-CZ2 4.17Å; F311-W337 AromaticContact CZ-NE1 3.9Å
312	A	93.2	Very high	93.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-39.7	177.9	0	0	0	0	0	111.3	Q290 T300 V303 P309 R316	Q290-A312 PolarHBondContact OE1-O 3Å; T300-A312 HydrophobicContact CG2-CB 4.05Å; V303-A312 HydrophobicContact CB-CB 4.19Å; V303-A312 HydrophobicContact CG1-CB 3.88Å; P309-A312 WeakPolarHBondContact O-CB 3.43Å; P309-A312 PolarHBondContact O-N 3.25Å; P309-A312 VanDerWaalsContact O-N 3.08Å; A312-R316 PolarHBondContact O-NH1 3.47Å
313	D	91.9	Very high	93.8	Very high	46 Å²	46	37 Å²	37	25%	0.246	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-47	176	-63	-20.3	0	0	0	111.6	P309 V310 F311 M315 R316 E317	P309-D313 PolarHBondContact O-N 3.47Å; V310-D313 PolarHBondContact O-N 3.19Å; F311-D313 VanDerWaalsContact C-N 3.29Å; F311-D313 PolarHBondContact O-N 2.9Å; D313-M315 PolarHBondContact O-N 3.03Å; D313-R316 PolarHBondContact O-N 3.33Å; D313-R316 VanDerWaalsContact O-N 3.13Å; D313-R316 IonicContact OD1-CZ 3.55Å; D313-R316 IonicContact OD1-NH1 3.9Å; D313-R316 IonicContact OD1-NH2 2.88Å; D313-R316 PolarHBondContact OD1-NH2 3.07Å; D313-E317 PolarHBondContact O-N 2.92Å
314	M	93.6	Very high	93.9	Very high	33 Å²	33	41.5 Å²	41.5	16%	0.163	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-39.8	-179.8	-166.3	70.9	84.7	0	0	112.1	V310 F311 R316 E317 A318 D321 L325	V310-M314 VanDerWaalsContact O-CB 3.3Å; V310-M314 WeakPolarHBondContact O-CB 3.33Å; V310-M314 PolarHBondContact O-N 3.4Å; F311-M314 PolarHBondContact O-N 3.37Å; M314-R316 PolarHBondContact O-N 3.44Å; M314-E317 PolarHBondContact O-N 3.29Å; M314-E317 VanDerWaalsContact O-N 3.15Å; M314-A318 CarbonylContact O-C 3.5Å; M314-A318 VanDerWaalsContact O-C 3.22Å; M314-A318 PolarHBondContact O-N 2.73Å; M314-A318 VanDerWaalsContact O-O 3.09Å; M314-D321 HydrophobicContact CG-CB 4.5Å; M314-D321 HydrophobicContact SD-CB 4.37Å; M314-L325 HydrophobicContact CE-CD2 4.03Å
315	M	95.4	Very high	94	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-53.2	-40.6	174.9	-75.7	173.4	-171.2	0	0	112	F270 L286 V287 V303 M307 F311 D313 L319	F270-M315 HydrophobicContact CD1-CE 3.86Å; F270-M315 HydrophobicContact CD2-CE 4.21Å; F270-M315 HydrophobicContact CE1-CE 3.52Å; F270-M315 HydrophobicContact CE2-CE 3.87Å; F270-M315 HydrophobicContact CE2-CG 4.45Å; F270-M315 HydrophobicContact CG-CE 4.21Å; F270-M315 HydrophobicContact CZ-CE 3.53Å; F270-M315 HydrophobicContact CZ-CG 4.48Å; L286-M315 HydrophobicContact CB-SD 4.43Å; L286-M315 HydrophobicContact CD1-CE 4.4Å; L286-M315 HydrophobicContact CD1-SD 4.31Å; V287-M315 HydrophobicContact CG2-CB 3.93Å; V287-M315 WeakPolarHBondContact CG2-O 3.49Å; V303-M315 HydrophobicContact CG1-CE 4.3Å; V303-M315 HydrophobicContact CG1-SD 4.45Å; M307-M315 HydrophobicContact CE-CE 3.57Å; F311-M315 VanDerWaalsContact O-CG 3.22Å; F311-M315 WeakPolarHBondContact O-CG 3.45Å; F311-M315 PolarHBondContact O-N 3.01Å; D313-M315 PolarHBondContact O-N 3.03Å; M315-L319 HydrophobicContact CB-CD1 4.46Å; M315-L319 HydrophobicContact CG-CD1 4.25Å
316	R	92.8	Very high	94.2	Very high	92 Å²	92	39.5 Å²	39.5	35%	0.347	21%	0.205	S	C	.	.	H	α-helix	trans	-77.5	-29	-178.1	-63.3	-170.3	-55.7	-88.1	-1.1	113.2	V287 Q290 A312 D313 M314	V287-R316 HydrophobicContact CG1-CG 4.48Å; Q290-R316 HydrophobicContact CB-CG 4.38Å; A312-R316 PolarHBondContact O-NH1 3.47Å; D313-R316 PolarHBondContact O-N 3.33Å; D313-R316 VanDerWaalsContact O-N 3.13Å; D313-R316 IonicContact OD1-CZ 3.55Å; D313-R316 IonicContact OD1-NH1 3.9Å; D313-R316 IonicContact OD1-NH2 2.88Å; D313-R316 PolarHBondContact OD1-NH2 3.07Å; M314-R316 PolarHBondContact O-N 3.44Å
317	E	92.2	Very high	94.2	Very high	129 Å²	129	42.9 Å²	42.9	60%	0.603	22%	0.223	S	C	*	.	H	α-helix	trans	-87.2	-48.1	-177.9	-69.2	171.1	-177.6	0	0	112.2	D313 M314 R404	D313-E317 PolarHBondContact O-N 2.92Å; M314-E317 PolarHBondContact O-N 3.29Å; M314-E317 VanDerWaalsContact O-N 3.15Å; E317-R404 VanDerWaalsContact CD-NH1 3.28Å; E317-R404 IonicContact OE1-NH1 3.79Å; E317-R404 PolarHBondContact OE1-NH1 2.93Å; E317-R404 VanDerWaalsContact OE1-NH1 3.14Å; E317-R404 IonicContact OE2-CZ 3.26Å; E317-R404 IonicContact OE2-NH1 2.79Å; E317-R404 PolarHBondContact OE2-NH1 3.27Å; E317-R404 IonicContact OE2-NH2 3.07Å; E317-R404 PolarHBondContact OE2-NH2 3.4Å
318	A	94.7	Very high	94.3	Very high	30 Å²	30	44.6 Å²	44.6	25%	0.248	24%	0.235	C	C	.	.			trans	-154.8	92.8	-176.6	0	0	0	0	0	109.9	M314 E320 D321 S322	M314-A318 CarbonylContact O-C 3.5Å; M314-A318 VanDerWaalsContact O-C 3.22Å; M314-A318 PolarHBondContact O-N 2.73Å; M314-A318 VanDerWaalsContact O-O 3.09Å; A318-E320 PolarHBondContact O-N 3.47Å; A318-D321 HydrophobicContact CB-CB 3.88Å; A318-D321 WeakPolarHBondContact CB-OD2 3.14Å; A318-D321 PolarHBondContact O-N 2.92Å; A318-S322 PolarHBondContact O-N 2.92Å
319	L	94.4	Very high	94.5	Very high	34 Å²	34	50.8 Å²	50.8	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-44.6	-174.7	175.8	60.3	0	0	0	113	F270 E280 M315 D321 S322 I323	F270-L319 HydrophobicContact CE2-CD1 3.97Å; E280-L319 WeakPolarHBondContact O-CD2 3.35Å; M315-L319 HydrophobicContact CB-CD1 4.46Å; M315-L319 HydrophobicContact CG-CD1 4.25Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 3.42Å; L319-S322 WeakPolarHBondContact O-CB 3.23Å; L319-S322 PolarHBondContact O-N 2.81Å; L319-S322 VanDerWaalsContact O-N 3.1Å; L319-I323 HydrophobicContact CD1-CD1 4.41Å; L319-I323 HydrophobicContact CD1-CG1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4.34Å; L319-I323 PolarHBondContact O-N 3.34Å
320	E	94.2	Very high	94.7	Very high	130 Å²	130	48.5 Å²	48.5	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-58.5	-44.2	178.1	-66.7	177.4	-163.9	0	0	111.2	A318 S322 I323 N324	A318-E320 PolarHBondContact O-N 3.47Å; E320-S322 VanDerWaalsContact C-N 3.31Å; E320-S322 PolarHBondContact O-N 3.45Å; E320-I323 PolarHBondContact O-N 3.48Å; E320-N324 PolarHBondContact O-N 3.47Å; E320-N324 PolarHBondContact O-ND2 3.4Å
321	D	95.4	Very high	94.9	Very high	93 Å²	93	53.3 Å²	53.3	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-35.5	176.1	-70.4	-27	0	0	0	111.9	M314 A318 L319 I323 N324 L325	M314-D321 HydrophobicContact CG-CB 4.5Å; M314-D321 HydrophobicContact SD-CB 4.37Å; A318-D321 HydrophobicContact CB-CB 3.88Å; A318-D321 WeakPolarHBondContact CB-OD2 3.14Å; A318-D321 PolarHBondContact O-N 2.92Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 3.42Å; D321-I323 VanDerWaalsContact C-N 3.33Å; D321-I323 PolarHBondContact O-N 3.3Å; D321-N324 PolarHBondContact O-N 3.2Å; D321-L325 WeakPolarHBondContact O-CB 2.93Å; D321-L325 PolarHBondContact O-N 3.08Å
322	S	96.8	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-38.5	174.3	-171.7	0	0	0	0	112.4	A318 L319 E320 F326	A318-S322 PolarHBondContact O-N 2.92Å; L319-S322 WeakPolarHBondContact O-CB 3.23Å; L319-S322 PolarHBondContact O-N 2.81Å; L319-S322 VanDerWaalsContact O-N 3.1Å; E320-S322 VanDerWaalsContact C-N 3.31Å; E320-S322 PolarHBondContact O-N 3.45Å; S322-F326 WeakPolarHBondContact O-CB 3.5Å; S322-F326 PolarHBondContact O-N 3.29Å
323	I	96.3	Very high	95	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-47.9	177.1	-67.6	169.4	0	0	0	109.8	F270 L276 R279 E280 L319 E320 D321 L325 F326 D327	F270-I323 HydrophobicContact CD2-CG1 4.28Å; F270-I323 HydrophobicContact CE2-CD1 4.27Å; F270-I323 HydrophobicContact CE2-CG1 3.48Å; F270-I323 VanDerWaalsContact CE2-CG1 3.48Å; F270-I323 HydrophobicContact CZ-CG1 3.92Å; L276-I323 HydrophobicContact CD1-CD1 4.16Å; L276-I323 HydrophobicContact CD1-CG2 3.68Å; R279-I323 HydrophobicContact CB-CD1 4.08Å; E280-I323 HydrophobicContact CB-CD1 4.43Å; E280-I323 HydrophobicContact CG-CD1 3.64Å; L319-I323 HydrophobicContact CD1-CD1 4.41Å; L319-I323 HydrophobicContact CD1-CG1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4.34Å; L319-I323 PolarHBondContact O-N 3.34Å; E320-I323 PolarHBondContact O-N 3.48Å; D321-I323 VanDerWaalsContact C-N 3.33Å; D321-I323 PolarHBondContact O-N 3.3Å; I323-L325 VanDerWaalsContact C-N 3.32Å; I323-L325 PolarHBondContact O-N 2.88Å; I323-F326 WeakPolarHBondContact O-CB 3.39Å; I323-F326 PolarHBondContact O-N 3.16Å; I323-F326 VanDerWaalsContact O-N 3.16Å; I323-D327 PolarHBondContact O-N 3.47Å
324	N	95.9	Very high	95.1	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-42.9	176.9	-70.8	-36.1	0	0	0	112	E320 D321 F326 D327 S328	E320-N324 PolarHBondContact O-N 3.47Å; E320-N324 PolarHBondContact O-ND2 3.4Å; D321-N324 PolarHBondContact O-N 3.2Å; N324-F326 VanDerWaalsContact C-N 3.34Å; N324-F326 PolarHBondContact O-N 3.06Å; N324-D327 PolarHBondContact O-N 2.68Å; N324-S328 WeakPolarHBondContact O-CB 3.35Å; N324-S328 PolarHBondContact O-N 3.06Å
325	L	95.9	Very high	95.2	Very high	27 Å²	27	52.9 Å²	52.9	14%	0.141	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-40.5	176.5	-177.3	61.9	0	0	0	111.7	F311 M314 D321 I323 D327 S328 T330 L335	F311-L325 HydrophobicContact CE1-CB 4.27Å; F311-L325 HydrophobicContact CE1-CD2 4.16Å; F311-L325 HydrophobicContact CE1-CG 3.96Å; F311-L325 HydrophobicContact CZ-CG 4.32Å; M314-L325 HydrophobicContact CE-CD2 4.03Å; D321-L325 WeakPolarHBondContact O-CB 2.93Å; D321-L325 PolarHBondContact O-N 3.08Å; I323-L325 VanDerWaalsContact C-N 3.32Å; I323-L325 PolarHBondContact O-N 2.88Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 3.21Å; L325-S328 WeakPolarHBondContact O-CB 3.41Å; L325-S328 PolarHBondContact O-N 2.78Å; L325-S328 PolarHBondContact O-OG 3.11Å; L325-T330 HydrophobicContact CD1-CG2 4.29Å; L325-L335 HydrophobicContact CD1-CD2 3.85Å; L325-L335 HydrophobicContact CD2-CD2 3.86Å; L325-L335 HydrophobicContact CG-CD2 4Å
326	F	96.7	Very high	95.2	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-40.6	178	-175.2	-92.7	0	0	0	111.3	F270 C271 M307 F311 S322 I323 N324 S328 W337 R342 V345	F270-F326 HydrophobicContact CE1-CB 4.49Å; F270-F326 HydrophobicContact CE1-CD2 4.3Å; F270-F326 HydrophobicContact CE1-CG 4.36Å; C271-F326 HydrophobicContact CB-CE1 4.06Å; C271-F326 HydrophobicContact CB-CE2 4.37Å; C271-F326 HydrophobicContact CB-CZ 3.61Å; C271-F326 WeakPolarHBondContact O-CE1 3.39Å; C271-F326 VanDerWaalsContact SG-CZ 3.56Å; M307-F326 HydrophobicContact CG-CE2 4.46Å; M307-F326 HydrophobicContact SD-CD2 3.87Å; M307-F326 HydrophobicContact SD-CE2 3.63Å; F311-F326 HydrophobicContact CD1-CB 4.48Å; F311-F326 HydrophobicContact CD1-CD2 4.5Å; F311-F326 HydrophobicContact CE1-CB 3.8Å; F311-F326 HydrophobicContact CE1-CD2 4.08Å; F311-F326 HydrophobicContact CE1-CG 4.45Å; F311-F326 HydrophobicContact CZ-CB 4.46Å; F311-F326 HydrophobicContact CZ-CD2 4.26Å; S322-F326 WeakPolarHBondContact O-CB 3.5Å; S322-F326 PolarHBondContact O-N 3.29Å; I323-F326 WeakPolarHBondContact O-CB 3.39Å; I323-F326 PolarHBondContact O-N 3.16Å; I323-F326 VanDerWaalsContact O-N 3.16Å; N324-F326 VanDerWaalsContact C-N 3.34Å; N324-F326 PolarHBondContact O-N 3.06Å; F326-S328 VanDerWaalsContact C-N 3.34Å; F326-W337 AromaticContact CD2-CZ2 3.78Å; F326-W337 HydrophobicContact CD2-CZ2 3.78Å; F326-W337 HydrophobicContact CE2-CH2 4.2Å; F326-W337 AromaticContact CE2-CZ2 3.65Å; F326-W337 HydrophobicContact CE2-CZ2 3.65Å; F326-W337 HydrophobicContact CZ-CZ2 4.36Å; F326-W337 PolarHBondContact O-NE1 3.44Å; F326-R342 HydrophobicContact CD1-CG 4.31Å; F326-R342 HydrophobicContact CE1-CG 3.67Å; F326-R342 HydrophobicContact CE2-CG 4.5Å; F326-R342 HydrophobicContact CZ-CG 3.77Å; F326-R342 VanDerWaalsContact O-CD 3.3Å; F326-R342 WeakPolarHBondContact O-CD 3.35Å; F326-R342 PolarHBondContact O-NH1 3.48Å; F326-V345 HydrophobicContact CE2-CG1 4.4Å
327	D	95.6	Very high	95.3	Very high	71 Å²	71	49.4 Å²	49.4	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-80.3	-14.4	-179.9	-64.8	-17.4	0	0	0	113.9	R279 I323 N324 L325 R342	R279-D327 IonicContact CZ-OD1 2.73Å; R279-D327 IonicContact CZ-OD2 3.83Å; R279-D327 IonicContact NH1-OD1 3.24Å; R279-D327 PolarHBondContact NH1-OD1 2.97Å; R279-D327 IonicContact NH1-OD2 3.69Å; R279-D327 PolarHBondContact NH1-OD2 3.43Å; R279-D327 IonicContact NH2-OD1 3.63Å; R279-D327 PolarHBondContact NH2-OD1 3.39Å; R279-D327 IonicContact NH2-OD2 3.05Å; R279-D327 PolarHBondContact NH2-OD2 2.93Å; I323-D327 PolarHBondContact O-N 3.47Å; N324-D327 PolarHBondContact O-N 2.68Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 3.21Å; D327-R342 PolarHBondContact O-NH1 3Å
328	S	95.8	Very high	95.5	Very high	36 Å²	36	45.6 Å²	45.6	25%	0.252	24%	0.239	S	C	.	.	S	Bend	trans	-77.9	179.1	178.7	81.8	0	0	0	0	114.4	N324 L325 F326 T330 R342	N324-S328 WeakPolarHBondContact O-CB 3.35Å; N324-S328 PolarHBondContact O-N 3.06Å; L325-S328 WeakPolarHBondContact O-CB 3.41Å; L325-S328 PolarHBondContact O-N 2.78Å; L325-S328 PolarHBondContact O-OG 3.11Å; F326-S328 VanDerWaalsContact C-N 3.34Å; S328-T330 PolarHBondContact OG-OG1 3.41Å; S328-T330 VanDerWaalsContact OG-OG1 3.1Å; S328-R342 PolarHBondContact O-NH1 3.03Å
329	Q	96.2	Very high	95.5	Very high	141 Å²	141	50.1 Å²	50.1	66%	0.659	25%	0.253	S	S	*	.			trans	-120.4	125.6	161	-61.9	-174	9	0	0	108.2	W337	Q329-W337 WeakPolarHBondContact CA-O 3.4Å
330	T	95.6	Very high	95.5	Very high	35 Å²	35	54.3 Å²	54.3	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129.9	-170.6	-66.4	0	0	0	0	110.3	L325 S328 T332 L335 W337	L325-T330 HydrophobicContact CD1-CG2 4.29Å; S328-T330 PolarHBondContact OG-OG1 3.41Å; S328-T330 VanDerWaalsContact OG-OG1 3.1Å; T330-T332 HydrophobicContact CG2-CG2 3.69Å; T330-L335 HydrophobicContact CG2-CD2 4.24Å; T330-W337 PolarHBondContact N-O 3.34Å; T330-W337 PolarHBondContact O-N 2.98Å
331	E	95.1	Very high	95.6	Very high	121 Å²	121	48.2 Å²	48.2	57%	0.565	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.5	168.9	-73	-170.2	-154.5	0	0	109.6	L335 I336 R393 L394	E331-L335 CarbonylContact C-O 3.03Å; E331-L335 WeakPolarHBondContact CA-O 3.45Å; E331-I336 HydrophobicContact CG-CG2 4.38Å; E331-R393 IonicContact OE2-NH2 2.87Å; E331-L394 HydrophobicContact CB-CD1 4.27Å
332	T	95.1	Very high	95.6	Very high	26 Å²	26	46 Å²	46	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.6	175	67.1	0	0	0	0	108.5	T330 E334 L335 L394 W401	T330-T332 HydrophobicContact CG2-CG2 3.69Å; T332-E334 PolarHBondContact O-N 2.98Å; T332-L335 PolarHBondContact N-O 3.45Å; T332-L335 CarbonylContact O-C 3.54Å; T332-L335 PolarHBondContact O-N 3.43Å; T332-L335 VanDerWaalsContact O-N 3.07Å; T332-L335 VanDerWaalsContact O-O 3.08Å; T332-L335 PolarHBondContact OG1-N 2.85Å; T332-L335 PolarHBondContact OG1-O 3.32Å; T332-L394 VanDerWaalsContact O-CD1 3.31Å; T332-L394 WeakPolarHBondContact O-CD1 3.2Å; T332-W401 HydrophobicContact CG2-CH2 3.27Å; T332-W401 HydrophobicContact CG2-CZ2 3.76Å; T332-W401 HydrophobicContact CG2-CZ3 3.9Å
333	P	95.2	Very high	95.6	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.039	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.7	176.3	-30.9	38.5	0	0	0	114.3	I390 S391 L394 F395 W401	P333-I390 HydrophobicContact CB-CG2 4.17Å; P333-I390 CarbonylContact O-C 3.5Å; P333-I390 WeakPolarHBondContact O-CA 3.29Å; P333-S391 PolarHBondContact O-N 2.89Å; P333-L394 HydrophobicContact CG-CB 4.25Å; P333-F395 HydrophobicContact CB-CB 4.11Å; P333-F395 HydrophobicContact CB-CD2 4.47Å; P333-F395 HydrophobicContact CG-CB 4.48Å; P333-W401 HydrophobicContact CB-CG 4.24Å; P333-W401 HydrophobicContact CG-CB 3.89Å; P333-W401 HydrophobicContact CG-CD2 3.97Å; P333-W401 HydrophobicContact CG-CE3 4.47Å; P333-W401 HydrophobicContact CG-CG 3.67Å
334	E	94.2	Very high	95.5	Very high	31 Å²	31	52.1 Å²	52.1	15%	0.145	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-9.1	-177.7	-65.1	178.5	130.8	0	0	114	V310 T332 I390 W401 L403 R404	V310-E334 HydrophobicContact CG2-CB 4.2Å; V310-E334 WeakPolarHBondContact CG2-O 3.29Å; T332-E334 PolarHBondContact O-N 2.98Å; E334-I390 HydrophobicContact CG-CG1 4.15Å; E334-W401 PolarHBondContact OE2-NE1 2.92Å; E334-L403 HydrophobicContact CG-CD2 3.88Å; E334-R404 WeakPolarHBondContact OE1-CB 3.11Å; E334-R404 PolarHBondContact OE1-N 3.29Å
335	L	95.1	Very high	95.6	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	116.5	-176.7	-177	64.9	0	0	0	111.7	P308 F311 L325 T330 E331 T332 W337	P308-L335 HydrophobicContact CB-CD1 3.75Å; P308-L335 HydrophobicContact CG-CD1 3.84Å; F311-L335 HydrophobicContact CE2-CD1 4.07Å; L325-L335 HydrophobicContact CD1-CD2 3.85Å; L325-L335 HydrophobicContact CD2-CD2 3.86Å; L325-L335 HydrophobicContact CG-CD2 4Å; T330-L335 HydrophobicContact CG2-CD2 4.24Å; E331-L335 CarbonylContact C-O 3.03Å; E331-L335 WeakPolarHBondContact CA-O 3.45Å; T332-L335 PolarHBondContact N-O 3.45Å; T332-L335 CarbonylContact O-C 3.54Å; T332-L335 PolarHBondContact O-N 3.43Å; T332-L335 VanDerWaalsContact O-N 3.07Å; T332-L335 VanDerWaalsContact O-O 3.08Å; T332-L335 PolarHBondContact OG1-N 2.85Å; T332-L335 PolarHBondContact OG1-O 3.32Å; L335-W337 HydrophobicContact CD1-CB 3.89Å; L335-W337 HydrophobicContact CD2-CB 4.04Å; L335-W337 HydrophobicContact CG-CB 3.78Å
336	I	95.3	Very high	95.6	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.108	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.3	160.4	-59.9	175.7	0	0	0	105.9	E331 M341 L381 E384 L394	E331-I336 HydrophobicContact CG-CG2 4.38Å; I336-M341 HydrophobicContact CG2-CE 3.9Å; I336-M341 HydrophobicContact CG2-SD 4.47Å; I336-L381 HydrophobicContact CB-CD2 3.98Å; I336-L381 HydrophobicContact CD1-CD2 4.24Å; I336-L381 HydrophobicContact CG2-CD2 4.01Å; I336-E384 HydrophobicContact CD1-CB 4.45Å; I336-E384 HydrophobicContact CD1-CG 3.81Å; I336-L394 HydrophobicContact CD1-CD1 3.98Å; I336-L394 HydrophobicContact CG1-CD1 3.69Å
337	W	96.4	Very high	95.5	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122.7	-176	-169	-111.7	0	0	0	111	P308 F311 F326 Q329 T330 L335 M341 R342 V345	P308-W337 HydrophobicContact CG-CE3 3.91Å; P308-W337 HydrophobicContact CG-CZ3 3.9Å; F311-W337 AromaticContact CE2-CD2 3.92Å; F311-W337 HydrophobicContact CE2-CD2 3.92Å; F311-W337 AromaticContact CE2-CE3 3.99Å; F311-W337 HydrophobicContact CE2-CE3 3.99Å; F311-W337 HydrophobicContact CE2-CG 4.44Å; F311-W337 HydrophobicContact CE2-CH2 4.31Å; F311-W337 HydrophobicContact CE2-CZ2 4.25Å; F311-W337 HydrophobicContact CE2-CZ3 4.2Å; F311-W337 AromaticContact CZ-CD2 3.91Å; F311-W337 HydrophobicContact CZ-CD2 3.91Å; F311-W337 AromaticContact CZ-CE2 3.76Å; F311-W337 HydrophobicContact CZ-CE3 4.45Å; F311-W337 HydrophobicContact CZ-CG 4.13Å; F311-W337 HydrophobicContact CZ-CZ2 4.17Å; F311-W337 AromaticContact CZ-NE1 3.9Å; F326-W337 AromaticContact CD2-CZ2 3.78Å; F326-W337 HydrophobicContact CD2-CZ2 3.78Å; F326-W337 HydrophobicContact CE2-CH2 4.2Å; F326-W337 AromaticContact CE2-CZ2 3.65Å; F326-W337 HydrophobicContact CE2-CZ2 3.65Å; F326-W337 HydrophobicContact CZ-CZ2 4.36Å; F326-W337 PolarHBondContact O-NE1 3.44Å; Q329-W337 WeakPolarHBondContact CA-O 3.4Å; T330-W337 PolarHBondContact N-O 3.34Å; T330-W337 PolarHBondContact O-N 2.98Å; L335-W337 HydrophobicContact CD1-CB 3.89Å; L335-W337 HydrophobicContact CD2-CB 4.04Å; L335-W337 HydrophobicContact CG-CB 3.78Å; W337-M341 HydrophobicContact CE3-CB 3.92Å; W337-M341 HydrophobicContact CE3-SD 4.41Å; W337-M341 HydrophobicContact CH2-CB 4.46Å; W337-M341 HydrophobicContact CZ3-CB 3.87Å; W337-R342 HydrophobicContact CH2-CB 4.5Å; W337-R342 HydrophobicContact CZ2-CB 3.72Å; W337-R342 HydrophobicContact CZ2-CG 4.19Å; W337-V345 HydrophobicContact CH2-CB 4.32Å; W337-V345 HydrophobicContact CH2-CG2 3.63Å; W337-V345 HydrophobicContact CZ3-CG2 4.2Å
338	N	94.9	Very high	95.5	Very high	49 Å²	49	50 Å²	50	26%	0.262	25%	0.248	S	C	.	.			trans	-137.4	173.6	-179.3	67.2	38.2	0	0	0	111.2	Q340 M341 R342	N338-Q340 PolarHBondContact O-N 3.49Å; N338-Q340 WeakPolarHBondContact OD1-CA 3.35Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.25Å; N338-Q340 PolarHBondContact OD1-N 3Å; N338-M341 PolarHBondContact O-N 3.02Å; N338-M341 WeakPolarHBondContact OD1-CG 3.44Å; N338-M341 PolarHBondContact OD1-N 3.1Å; N338-R342 PolarHBondContact O-N 2.67Å
339	K	95.2	Very high	95.4	Very high	125 Å²	125	48.3 Å²	48.3	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-56.4	-38.4	-179.6	-176.1	178.4	177.4	-179	0	112.6	R342 M343	K339-R342 PolarHBondContact O-N 3.4Å; K339-M343 HydrophobicContact CG-CG 4.48Å; K339-M343 VanDerWaalsContact O-CG 3.27Å; K339-M343 WeakPolarHBondContact O-CG 3.39Å; K339-M343 PolarHBondContact O-N 3.31Å
340	Q	94.6	Very high	95.2	Very high	121 Å²	121	43.4 Å²	43.4	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-66.7	-46.7	-178.4	-175	58.7	40.7	0	0	111.3	N338 R342 M343 S344	N338-Q340 PolarHBondContact O-N 3.49Å; N338-Q340 WeakPolarHBondContact OD1-CA 3.35Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.25Å; N338-Q340 PolarHBondContact OD1-N 3Å; Q340-R342 VanDerWaalsContact C-N 3.34Å; Q340-R342 PolarHBondContact O-N 3.19Å; Q340-M343 PolarHBondContact O-N 3.05Å; Q340-S344 PolarHBondContact O-N 3.42Å; Q340-S344 PolarHBondContact O-OG 2.86Å
341	M	96.1	Very high	95	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-45	176.2	-66	172.2	-178.5	0	0	111.3	I336 W337 N338 M343 S344 V345 L381	I336-M341 HydrophobicContact CG2-CE 3.9Å; I336-M341 HydrophobicContact CG2-SD 4.47Å; W337-M341 HydrophobicContact CE3-CB 3.92Å; W337-M341 HydrophobicContact CE3-SD 4.41Å; W337-M341 HydrophobicContact CH2-CB 4.46Å; W337-M341 HydrophobicContact CZ3-CB 3.87Å; N338-M341 PolarHBondContact O-N 3.02Å; N338-M341 WeakPolarHBondContact OD1-CG 3.44Å; N338-M341 PolarHBondContact OD1-N 3.1Å; M341-M343 PolarHBondContact O-N 2.83Å; M341-S344 PolarHBondContact O-N 3.45Å; M341-V345 WeakPolarHBondContact O-CG2 3.37Å; M341-V345 PolarHBondContact O-N 3.37Å; M341-L381 HydrophobicContact CE-CD2 3.32Å; M341-L381 HydrophobicContact CE-CG 3.8Å; M341-L381 HydrophobicContact SD-CD2 4.46Å
342	R	96	Very high	94.8	Very high	48 Å²	48	40.8 Å²	40.8	18%	0.181	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-48.9	175.2	-179.8	173.5	66.3	-138.3	14.9	112.1	F326 D327 S328 W337 N338 K339 Q340 S344 V345 C346	F326-R342 HydrophobicContact CD1-CG 4.31Å; F326-R342 HydrophobicContact CE1-CG 3.67Å; F326-R342 HydrophobicContact CE2-CG 4.5Å; F326-R342 HydrophobicContact CZ-CG 3.77Å; F326-R342 VanDerWaalsContact O-CD 3.3Å; F326-R342 WeakPolarHBondContact O-CD 3.35Å; F326-R342 PolarHBondContact O-NH1 3.48Å; D327-R342 PolarHBondContact O-NH1 3Å; S328-R342 PolarHBondContact O-NH1 3.03Å; W337-R342 HydrophobicContact CH2-CB 4.5Å; W337-R342 HydrophobicContact CZ2-CB 3.72Å; W337-R342 HydrophobicContact CZ2-CG 4.19Å; N338-R342 PolarHBondContact O-N 2.67Å; K339-R342 PolarHBondContact O-N 3.4Å; Q340-R342 VanDerWaalsContact C-N 3.34Å; Q340-R342 PolarHBondContact O-N 3.19Å; R342-S344 VanDerWaalsContact C-N 3.31Å; R342-S344 PolarHBondContact O-N 2.93Å; R342-V345 PolarHBondContact O-N 2.9Å; R342-C346 PolarHBondContact O-N 3.27Å; R342-C346 PolarHBondContact O-SG 3.45Å; R342-C346 VanDerWaalsContact O-SG 3.33Å
343	M	95.6	Very high	94.3	Very high	102 Å²	102	40.8 Å²	40.8	50%	0.502	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-41.1	179.2	-70.6	-59.8	-59	0	0	112	K339 Q340 M341 C346 Q347	K339-M343 HydrophobicContact CG-CG 4.48Å; K339-M343 VanDerWaalsContact O-CG 3.27Å; K339-M343 WeakPolarHBondContact O-CG 3.39Å; K339-M343 PolarHBondContact O-N 3.31Å; Q340-M343 PolarHBondContact O-N 3.05Å; M341-M343 PolarHBondContact O-N 2.83Å; M343-C346 PolarHBondContact O-N 3.44Å; M343-Q347 WeakPolarHBondContact O-CB 3.31Å; M343-Q347 PolarHBondContact O-N 3.09Å
344	S	96	Very high	93.8	Very high	26 Å²	26	46 Å²	46	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-41	175.3	-64.4	0	0	0	0	112.5	Q340 M341 R342 S348 P376	Q340-S344 PolarHBondContact O-N 3.42Å; Q340-S344 PolarHBondContact O-OG 2.86Å; M341-S344 PolarHBondContact O-N 3.45Å; R342-S344 VanDerWaalsContact C-N 3.31Å; R342-S344 PolarHBondContact O-N 2.93Å; S344-S348 WeakPolarHBondContact O-CB 3.38Å; S344-S348 PolarHBondContact O-N 3.47Å; S344-P376 WeakPolarHBondContact CB-O 3.5Å
345	V	96.4	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-51.4	173.7	175.9	0	0	0	0	111	F306 M307 F326 W337 M341 R342 Q347 S348 V349 P376 Y377	F306-V345 WeakPolarHBondContact O-CG2 3.35Å; M307-V345 HydrophobicContact CG-CG1 3.78Å; M307-V345 HydrophobicContact CG-CG2 4.48Å; M307-V345 HydrophobicContact SD-CG1 4.48Å; F326-V345 HydrophobicContact CE2-CG1 4.4Å; W337-V345 HydrophobicContact CH2-CB 4.32Å; W337-V345 HydrophobicContact CH2-CG2 3.63Å; W337-V345 HydrophobicContact CZ3-CG2 4.2Å; M341-V345 WeakPolarHBondContact O-CG2 3.37Å; M341-V345 PolarHBondContact O-N 3.37Å; R342-V345 PolarHBondContact O-N 2.9Å; V345-Q347 VanDerWaalsContact C-N 3.29Å; V345-Q347 PolarHBondContact O-N 2.97Å; V345-S348 PolarHBondContact O-N 3.41Å; V345-V349 HydrophobicContact CG1-CG2 4.12Å; V345-V349 WeakPolarHBondContact O-CB 3.41Å; V345-V349 VanDerWaalsContact O-CG2 3.32Å; V345-V349 WeakPolarHBondContact O-CG2 3.45Å; V345-V349 PolarHBondContact O-N 3.02Å; V345-P376 HydrophobicContact CG2-CG 3.93Å; V345-Y377 HydrophobicContact CG2-CD1 3.93Å
346	C	96	Very high	92.7	Very high	21 Å²	21	48 Å²	48	14%	0.142	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-44.1	179.7	-68.6	0	0	0	0	111.7	C272 R342 M343 C350	C272-C346 VanDerWaalsContact SG-CB 3.57Å; R342-C346 PolarHBondContact O-N 3.27Å; R342-C346 PolarHBondContact O-SG 3.45Å; R342-C346 VanDerWaalsContact O-SG 3.33Å; M343-C346 PolarHBondContact O-N 3.44Å; C346-C350 PolarHBondContact O-N 3.32Å; C346-C350 VanDerWaalsContact O-N 3.13Å; C346-C350 PolarHBondContact O-SG 3.14Å
347	Q	95.7	Very high	91.8	Very high	118 Å²	118	49.9 Å²	49.9	55%	0.551	25%	0.246	S	C	*	.	H	α-helix	trans	-61.7	-50.7	176.8	179.8	178.1	-8.8	0	0	111.6	M343 V345 V349 C350 E351	M343-Q347 WeakPolarHBondContact O-CB 3.31Å; M343-Q347 PolarHBondContact O-N 3.09Å; V345-Q347 VanDerWaalsContact C-N 3.29Å; V345-Q347 PolarHBondContact O-N 2.97Å; Q347-V349 VanDerWaalsContact C-N 3.33Å; Q347-V349 PolarHBondContact O-N 3.39Å; Q347-C350 PolarHBondContact O-N 2.78Å; Q347-E351 VanDerWaalsContact CG-OE1 3.29Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.45Å; Q347-E351 PolarHBondContact NE2-OE1 3.23Å; Q347-E351 WeakPolarHBondContact O-CG 3.49Å; Q347-E351 PolarHBondContact O-N 3.29Å
348	S	94.9	Very high	91	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-41.6	-178.4	-179.8	0	0	0	0	112.5	S344 V345 E351 M352 F373	S344-S348 WeakPolarHBondContact O-CB 3.38Å; S344-S348 PolarHBondContact O-N 3.47Å; V345-S348 PolarHBondContact O-N 3.41Å; S348-E351 PolarHBondContact O-N 3.12Å; S348-M352 VanDerWaalsContact O-CG 3.31Å; S348-M352 WeakPolarHBondContact O-CG 3.39Å; S348-M352 PolarHBondContact O-N 2.96Å; S348-F373 WeakPolarHBondContact OG-CE2 3.33Å
349	V	93.3	Very high	90.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-42.1	178	171.7	0	0	0	0	111.4	L267 K268 F306 V345 Q347 M352 E353	L267-V349 HydrophobicContact CB-CG1 3.84Å; L267-V349 HydrophobicContact CB-CG2 4.22Å; K268-V349 HydrophobicContact CB-CG1 3.66Å; F306-V349 HydrophobicContact CB-CG2 4.35Å; F306-V349 HydrophobicContact CD1-CG2 3.47Å; F306-V349 VanDerWaalsContact CD1-CG2 3.47Å; F306-V349 HydrophobicContact CE1-CG2 3.92Å; F306-V349 HydrophobicContact CG-CG2 4.06Å; V345-V349 HydrophobicContact CG1-CG2 4.12Å; V345-V349 WeakPolarHBondContact O-CB 3.41Å; V345-V349 VanDerWaalsContact O-CG2 3.32Å; V345-V349 WeakPolarHBondContact O-CG2 3.45Å; V345-V349 PolarHBondContact O-N 3.02Å; Q347-V349 VanDerWaalsContact C-N 3.33Å; Q347-V349 PolarHBondContact O-N 3.39Å; V349-M352 PolarHBondContact O-N 3.22Å; V349-E353 WeakPolarHBondContact O-CB 3.45Å; V349-E353 PolarHBondContact O-N 3.25Å
350	C	91.9	Very high	88.9	Confident	39 Å²	39	49.7 Å²	49.7	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-40.9	174.7	-70.5	0	0	0	0	112.4	C346 Q347 E353 Q354	C346-C350 PolarHBondContact O-N 3.32Å; C346-C350 VanDerWaalsContact O-N 3.13Å; C346-C350 PolarHBondContact O-SG 3.14Å; Q347-C350 PolarHBondContact O-N 2.78Å; C350-E353 PolarHBondContact O-N 3.42Å; C350-Q354 WeakPolarHBondContact O-CG 3.42Å; C350-Q354 PolarHBondContact O-N 2.8Å; C350-Q354 VanDerWaalsContact O-N 3.13Å
351	E	92.6	Very high	87.9	Confident	86 Å²	86	51.8 Å²	51.8	40%	0.402	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-44.5	176.3	-72.6	170.7	-173.2	0	0	111.6	Q347 S348 E353 Q354 L355	Q347-E351 VanDerWaalsContact CG-OE1 3.29Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.45Å; Q347-E351 PolarHBondContact NE2-OE1 3.23Å; Q347-E351 WeakPolarHBondContact O-CG 3.49Å; Q347-E351 PolarHBondContact O-N 3.29Å; S348-E351 PolarHBondContact O-N 3.12Å; E351-E353 VanDerWaalsContact C-N 3.31Å; E351-E353 PolarHBondContact O-N 3.44Å; E351-Q354 PolarHBondContact O-N 2.54Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 3.38Å
352	M	89.9	Confident	86.5	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.069	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-34.8	178.4	-68.1	-55.6	103.9	0	0	112.3	T264 F306 S348 V349 L355 F356 L369 P370 F373	T264-M352 HydrophobicContact CG2-CB 3.54Å; F306-M352 HydrophobicContact CE1-CB 4.36Å; F306-M352 HydrophobicContact CE1-CG 3.81Å; F306-M352 HydrophobicContact CZ-CB 4.27Å; F306-M352 HydrophobicContact CZ-CG 3.88Å; S348-M352 VanDerWaalsContact O-CG 3.31Å; S348-M352 WeakPolarHBondContact O-CG 3.39Å; S348-M352 PolarHBondContact O-N 2.96Å; V349-M352 PolarHBondContact O-N 3.22Å; M352-L355 HydrophobicContact CE-CD1 3.65Å; M352-L355 HydrophobicContact SD-CD1 4.3Å; M352-F356 WeakPolarHBondContact O-CB 3.34Å; M352-F356 PolarHBondContact O-N 2.89Å; M352-L369 HydrophobicContact CG-CD2 4.09Å; M352-L369 HydrophobicContact SD-CD2 4Å; M352-P370 HydrophobicContact SD-CG 4.27Å; M352-F373 HydrophobicContact CE-CD2 4.31Å; M352-F373 HydrophobicContact CE-CE2 4.33Å; M352-F373 HydrophobicContact CG-CD2 4.38Å; M352-F373 HydrophobicContact CG-CE2 3.86Å; M352-F373 HydrophobicContact SD-CD2 3.85Å; M352-F373 HydrophobicContact SD-CE2 3.93Å
353	E	85.1	Confident	84.7	Confident	27 Å²	27	60.8 Å²	60.8	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-45	175	-175.8	-131.4	-168.3	0	0	111.1	T264 F265 V349 C350 E351 F356 L357	T264-E353 HydrophobicContact CG2-CB 4.06Å; T264-E353 VanDerWaalsContact CG2-N 3.29Å; F265-E353 HydrophobicContact CD1-CG 3.52Å; F265-E353 HydrophobicContact CE1-CG 3.41Å; F265-E353 VanDerWaalsContact CE1-CG 3.41Å; F265-E353 HydrophobicContact CZ-CG 4.41Å; V349-E353 WeakPolarHBondContact O-CB 3.45Å; V349-E353 PolarHBondContact O-N 3.25Å; C350-E353 PolarHBondContact O-N 3.42Å; E351-E353 VanDerWaalsContact C-N 3.31Å; E351-E353 PolarHBondContact O-N 3.44Å; E353-F356 WeakPolarHBondContact O-CB 3.4Å; E353-F356 PolarHBondContact O-N 3.25Å; E353-L357 HydrophobicContact CG-CD1 4.33Å; E353-L357 WeakPolarHBondContact O-CG 3.27Å; E353-L357 PolarHBondContact O-N 2.92Å
354	Q	84.9	Confident	82.8	Confident	114 Å²	114	58.9 Å²	58.9	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-47.8	178.1	-72	178.5	-4.6	0	0	112.1	C350 E351 F356 L357 E358	C350-Q354 WeakPolarHBondContact O-CG 3.42Å; C350-Q354 PolarHBondContact O-N 2.8Å; C350-Q354 VanDerWaalsContact O-N 3.13Å; E351-Q354 PolarHBondContact O-N 2.54Å; Q354-F356 PolarHBondContact O-N 3.3Å; Q354-L357 PolarHBondContact O-N 2.94Å; Q354-L357 VanDerWaalsContact O-N 3.14Å; Q354-E358 WeakPolarHBondContact O-CG 3.31Å; Q354-E358 PolarHBondContact O-N 3.3Å
355	L	85.6	Confident	81.2	Confident	78 Å²	78	64.6 Å²	64.6	41%	0.408	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-38.5	175.9	-70.7	177.3	0	0	0	111.8	E351 M352 E358 S359	E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 3.38Å; M352-L355 HydrophobicContact CE-CD1 3.65Å; M352-L355 HydrophobicContact SD-CD1 4.3Å; L355-E358 PolarHBondContact O-N 3.3Å; L355-S359 PolarHBondContact O-N 3.22Å
356	F	80	Confident	79.9	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-50.9	173.8	169.1	-93.8	0	0	0	111.8	L229 L256 C261 F265 M352 E353 Q354 E358 S359 L360 W367	L229-F356 HydrophobicContact CD2-CE1 3.78Å; L229-F356 HydrophobicContact CD2-CZ 4.31Å; L256-F356 HydrophobicContact CD2-CE1 4.4Å; L256-F356 HydrophobicContact CD2-CE2 4.43Å; L256-F356 HydrophobicContact CD2-CZ 3.59Å; C261-F356 HydrophobicContact CB-CD2 3.64Å; C261-F356 HydrophobicContact CB-CE2 3.26Å; C261-F356 HydrophobicContact CB-CG 4.42Å; C261-F356 HydrophobicContact CB-CZ 3.77Å; C261-F356 WeakPolarHBondContact SG-CE2 3.27Å; F265-F356 HydrophobicContact CD2-CD1 4.32Å; F265-F356 HydrophobicContact CD2-CE1 4.28Å; F265-F356 HydrophobicContact CE1-CD1 4.24Å; F265-F356 AromaticContact CE2-CD1 3.21Å; F265-F356 HydrophobicContact CE2-CD1 3.21Å; F265-F356 AromaticContact CE2-CE1 3.03Å; F265-F356 HydrophobicContact CE2-CE1 3.03Å; F265-F356 HydrophobicContact CE2-CG 4.3Å; F265-F356 AromaticContact CE2-CZ 3.98Å; F265-F356 HydrophobicContact CE2-CZ 3.98Å; F265-F356 AromaticContact CZ-CD1 3.16Å; F265-F356 HydrophobicContact CZ-CD1 3.16Å; F265-F356 AromaticContact CZ-CE1 3.2Å; F265-F356 HydrophobicContact CZ-CE1 3.2Å; F265-F356 HydrophobicContact CZ-CG 4.42Å; F265-F356 HydrophobicContact CZ-CZ 4.46Å; M352-F356 WeakPolarHBondContact O-CB 3.34Å; M352-F356 PolarHBondContact O-N 2.89Å; E353-F356 WeakPolarHBondContact O-CB 3.4Å; E353-F356 PolarHBondContact O-N 3.25Å; Q354-F356 PolarHBondContact O-N 3.3Å; F356-E358 PolarHBondContact O-N 3.43Å; F356-S359 WeakPolarHBondContact O-CB 3.4Å; F356-S359 PolarHBondContact O-N 3.08Å; F356-S359 PolarHBondContact O-OG 2.89Å; F356-L360 HydrophobicContact CD1-CD1 4.38Å; F356-L360 HydrophobicContact CE1-CD1 3.36Å; F356-L360 HydrophobicContact CE1-CD2 4.3Å; F356-L360 HydrophobicContact CE1-CG 3.76Å; F356-L360 HydrophobicContact CE2-CD1 4.43Å; F356-L360 HydrophobicContact CE2-CD2 3.86Å; F356-L360 HydrophobicContact CE2-CG 4Å; F356-L360 HydrophobicContact CZ-CD1 3.44Å; F356-L360 VanDerWaalsContact CZ-CD1 3.44Å; F356-L360 HydrophobicContact CZ-CD2 3.51Å; F356-L360 HydrophobicContact CZ-CG 3.47Å; F356-L360 VanDerWaalsContact CZ-CG 3.47Å; F356-L360 PolarHBondContact O-N 3.22Å; F356-W367 HydrophobicContact CB-CD2 4.23Å; F356-W367 HydrophobicContact CB-CG 4.39Å; F356-W367 HydrophobicContact CB-CZ2 4.14Å; F356-W367 HydrophobicContact CD2-CB 3.92Å; F356-W367 AromaticContact CD2-CD1 3.89Å; F356-W367 AromaticContact CD2-CD2 3.75Å; F356-W367 HydrophobicContact CD2-CD2 3.75Å; F356-W367 HydrophobicContact CD2-CE3 4.27Å; F356-W367 AromaticContact CD2-CG 3.58Å; F356-W367 HydrophobicContact CD2-CG 3.58Å; F356-W367 HydrophobicContact CE2-CB 4.29Å; F356-W367 HydrophobicContact CE2-CG 4.41Å; F356-W367 HydrophobicContact CG-CD2 4.43Å; F356-W367 HydrophobicContact CG-CG 4.47Å
357	L	76.6	Confident	78.9	Confident	60 Å²	60	73.3 Å²	73.3	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-32.2	179.4	-73.4	172.8	0	0	0	112.6	L229 F265 E353 Q354 L360	L229-L357 HydrophobicContact CD2-CD2 4.44Å; F265-L357 HydrophobicContact CE1-CD1 4.31Å; F265-L357 HydrophobicContact CE1-CD2 3.9Å; F265-L357 HydrophobicContact CE1-CG 4.03Å; F265-L357 HydrophobicContact CZ-CD2 3.6Å; F265-L357 HydrophobicContact CZ-CG 3.98Å; E353-L357 HydrophobicContact CG-CD1 4.33Å; E353-L357 WeakPolarHBondContact O-CG 3.27Å; E353-L357 PolarHBondContact O-N 2.92Å; Q354-L357 PolarHBondContact O-N 2.94Å; Q354-L357 VanDerWaalsContact O-N 3.14Å; L357-L360 HydrophobicContact CD2-CD1 4.45Å
358	E	79.4	Confident	78.2	Confident	115 Å²	115	70.5 Å²	70.5	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-69.3	-43	172.4	-72	179.2	173.9	0	0	112.2	Q354 L355 F356 L360 K361	Q354-E358 WeakPolarHBondContact O-CG 3.31Å; Q354-E358 PolarHBondContact O-N 3.3Å; L355-E358 PolarHBondContact O-N 3.3Å; F356-E358 PolarHBondContact O-N 3.43Å; E358-L360 PolarHBondContact O-N 2.91Å; E358-K361 WeakPolarHBondContact O-CB 3.46Å; E358-K361 PolarHBondContact O-N 3.43Å
359	S	77.3	Confident	77.8	Confident	27 Å²	27	71.4 Å²	71.4	19%	0.189	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-30.2	178.4	77.9	0	0	0	0	113	L355 F356 K361 S362	L355-S359 PolarHBondContact O-N 3.22Å; F356-S359 WeakPolarHBondContact O-CB 3.4Å; F356-S359 PolarHBondContact O-N 3.08Å; F356-S359 PolarHBondContact O-OG 2.89Å; S359-K361 VanDerWaalsContact C-N 3.26Å; S359-K361 PolarHBondContact O-N 3.24Å; S359-S362 CarbonylContact O-C 3.59Å; S359-S362 PolarHBondContact O-N 3.08Å; S359-S362 PolarHBondContact O-OG 2.9Å
360	L	70.1	Confident	77.5	Confident	31 Å²	31	73.6 Å²	73.6	16%	0.162	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.8	176.1	-72.7	-176.5	0	0	0	113.8	I226 L229 F356 L357 E358	I226-L360 HydrophobicContact CG2-CB 3.68Å; I226-L360 HydrophobicContact CG2-CD1 3.94Å; I226-L360 HydrophobicContact CG2-CD2 3.72Å; I226-L360 HydrophobicContact CG2-CG 3.98Å; L229-L360 HydrophobicContact CD2-CD1 3.66Å; F356-L360 HydrophobicContact CD1-CD1 4.38Å; F356-L360 HydrophobicContact CE1-CD1 3.36Å; F356-L360 HydrophobicContact CE1-CD2 4.3Å; F356-L360 HydrophobicContact CE1-CG 3.76Å; F356-L360 HydrophobicContact CE2-CD1 4.43Å; F356-L360 HydrophobicContact CE2-CD2 3.86Å; F356-L360 HydrophobicContact CE2-CG 4Å; F356-L360 HydrophobicContact CZ-CD1 3.44Å; F356-L360 VanDerWaalsContact CZ-CD1 3.44Å; F356-L360 HydrophobicContact CZ-CD2 3.51Å; F356-L360 HydrophobicContact CZ-CG 3.47Å; F356-L360 VanDerWaalsContact CZ-CG 3.47Å; F356-L360 PolarHBondContact O-N 3.22Å; L357-L360 HydrophobicContact CD2-CD1 4.45Å; E358-L360 PolarHBondContact O-N 2.91Å
361	K	71.8	Confident	77.2	Confident	165 Å²	165	78.1 Å²	78.1	72%	0.717	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-30.5	178.7	-60.3	173.5	-175.2	168.1	0	111.5	E358 S359 H363	E358-K361 WeakPolarHBondContact O-CB 3.46Å; E358-K361 PolarHBondContact O-N 3.43Å; S359-K361 VanDerWaalsContact C-N 3.26Å; S359-K361 PolarHBondContact O-N 3.24Å; K361-H363 PolarHBondContact O-N 2.69Å
362	S	67.5	Low	77.1	Confident	73 Å²	73	80 Å²	80	51%	0.51	44%	0.438	S	S	.	.	S	Bend	trans	-89.6	96.8	172.3	51.7	0	0	0	0	109.2	S359 G364	S359-S362 CarbonylContact O-C 3.59Å; S359-S362 PolarHBondContact O-N 3.08Å; S359-S362 PolarHBondContact O-OG 2.9Å; S362-G364 PolarHBondContact O-N 3.45Å
363	H	58.6	Low	77.1	Confident	166 Å²	166	81.6 Å²	81.6	77%	0.769	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	28.9	-177.4	-61.1	-51.7	0	0	0	116.4	K361	K361-H363 PolarHBondContact O-N 2.69Å
364	G	56.1	Low	77.3	Confident	61 Å²	61	85.3 Å²	85.3	63%	0.629	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-42.8	-165.7	0	0	0	0	0	116.2	S362	S362-G364 PolarHBondContact O-N 3.45Å
365	D	61.3	Low	77.6	Confident	147 Å²	147	81.7 Å²	81.7	79%	0.786	45%	0.447	S	S	*	.			trans	-126.1	143.8	-163.5	-69.2	-38.9	0	0	0	113.8	W367	D365-W367 PolarHBondContact O-N 3.42Å
366	K	69.4	Low	77.9	Confident	180 Å²	180	79.1 Å²	79.1	78%	0.783	44%	0.435	S	S	*	.			trans	-65.3	116	170.3	-72.4	-178.2	177.1	-177.9	0	108.4	A368	K366-A368 PolarHBondContact O-N 3.47Å
367	W	74.9	Confident	78.5	Confident	24 Å²	24	80.1 Å²	80.1	9%	0.091	44%	0.439	C	S	.	.			trans	-63.3	137.5	172.8	-175.7	91.6	0	0	0	110.6	N258 D260 C261 T264 F356 D365 L369	N258-W367 PolarHBondContact ND2-O 2.81Å; D260-W367 HydrophobicContact CB-CZ3 4.14Å; C261-W367 HydrophobicContact CB-CE3 4.29Å; T264-W367 WeakPolarHBondContact OG1-CH2 3.42Å; F356-W367 HydrophobicContact CB-CD2 4.23Å; F356-W367 HydrophobicContact CB-CG 4.39Å; F356-W367 HydrophobicContact CB-CZ2 4.14Å; F356-W367 HydrophobicContact CD2-CB 3.92Å; F356-W367 AromaticContact CD2-CD1 3.89Å; F356-W367 AromaticContact CD2-CD2 3.75Å; F356-W367 HydrophobicContact CD2-CD2 3.75Å; F356-W367 HydrophobicContact CD2-CE3 4.27Å; F356-W367 AromaticContact CD2-CG 3.58Å; F356-W367 HydrophobicContact CD2-CG 3.58Å; F356-W367 HydrophobicContact CE2-CB 4.29Å; F356-W367 HydrophobicContact CE2-CG 4.41Å; F356-W367 HydrophobicContact CG-CD2 4.43Å; F356-W367 HydrophobicContact CG-CG 4.47Å; D365-W367 PolarHBondContact O-N 3.42Å; W367-L369 HydrophobicContact CH2-CD2 3.79Å; W367-L369 HydrophobicContact CH2-CG 4.11Å; W367-L369 HydrophobicContact CZ2-CD2 4.28Å
368	A	81.2	Confident	79	Confident	58 Å²	58	82.5 Å²	82.5	48%	0.479	45%	0.449	S	S	.	.			trans	-145.5	161.1	169.8	0	0	0	0	0	107.9	K366	K366-A368 PolarHBondContact O-N 3.47Å
369	L	85.6	Confident	79.4	Confident	32 Å²	32	84.9 Å²	84.9	17%	0.168	45%	0.454	C	S	.	.			trans	-56.3	138	169.6	-72	169.2	0	0	0	109.6	F302 N305 F306 M352 W367 S371 F373	F302-L369 HydrophobicContact CD2-CD1 4.12Å; F302-L369 HydrophobicContact CE2-CD1 3.78Å; F302-L369 HydrophobicContact CE2-CG 4.14Å; N305-L369 HydrophobicContact CB-CD1 4.4Å; N305-L369 WeakPolarHBondContact ND2-CD1 3.47Å; F306-L369 HydrophobicContact CE2-CD1 4.16Å; F306-L369 HydrophobicContact CE2-CD2 4.09Å; F306-L369 HydrophobicContact CZ-CD2 3.69Å; M352-L369 HydrophobicContact CG-CD2 4.09Å; M352-L369 HydrophobicContact SD-CD2 4Å; W367-L369 HydrophobicContact CH2-CD2 3.79Å; W367-L369 HydrophobicContact CH2-CG 4.11Å; W367-L369 HydrophobicContact CZ2-CD2 4.28Å; L369-S371 PolarHBondContact O-N 3.43Å; L369-F373 HydrophobicContact CD2-CD2 4.47Å
370	P	87.7	Confident	79.9	Confident	46 Å²	46	86.1 Å²	86.1	30%	0.299	46%	0.463	S	S	.	.			trans	-50.9	139.7	174.9	-26.6	34.5	0	0	0	111	M352 D372 F373	M352-P370 HydrophobicContact SD-CG 4.27Å; P370-D372 WeakPolarHBondContact CB-OD1 3.43Å; P370-D372 PolarHBondContact O-N 2.97Å; P370-D372 VanDerWaalsContact O-N 3.13Å; P370-F373 HydrophobicContact CB-CB 4.45Å; P370-F373 WeakPolarHBondContact O-CB 3.46Å; P370-F373 PolarHBondContact O-N 3.47Å
371	S	86.3	Confident	80.9	Confident	134 Å²	134	86 Å²	86	94%	0.937	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.3	-176.6	50.7	0	0	0	0	113.6	L369	L369-S371 PolarHBondContact O-N 3.43Å
372	D	89.3	Confident	81.7	Confident	125 Å²	125	82.4 Å²	82.4	67%	0.668	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.5	176.7	63.1	-32	0	0	0	113.2	P370 Q374	P370-D372 WeakPolarHBondContact CB-OD1 3.43Å; P370-D372 PolarHBondContact O-N 2.97Å; P370-D372 VanDerWaalsContact O-N 3.13Å; D372-Q374 PolarHBondContact O-N 3.46Å
373	F	90.5	Very high	82.7	Confident	47 Å²	47	86.5 Å²	86.5	21%	0.206	47%	0.474	C	S	.	.			trans	-58.6	121.2	177.9	-177.8	-95	0	0	0	110.9	N305 F306 S348 M352 L369 P370	N305-F373 HydrophobicContact CB-CE1 4.19Å; F306-F373 HydrophobicContact CD1-CE1 4.44Å; F306-F373 AromaticContact CD1-CZ 3.7Å; F306-F373 HydrophobicContact CD1-CZ 3.7Å; F306-F373 HydrophobicContact CE1-CE1 4.28Å; F306-F373 AromaticContact CE1-CE2 3.92Å; F306-F373 HydrophobicContact CE1-CE2 3.92Å; F306-F373 AromaticContact CE1-CZ 3.4Å; F306-F373 HydrophobicContact CE1-CZ 3.4Å; F306-F373 VanDerWaalsContact CE1-CZ 3.4Å; F306-F373 HydrophobicContact CE2-CZ 4.46Å; F306-F373 HydrophobicContact CG-CZ 4.37Å; F306-F373 HydrophobicContact CZ-CE1 4.39Å; F306-F373 HydrophobicContact CZ-CE2 4.32Å; F306-F373 AromaticContact CZ-CZ 3.84Å; F306-F373 HydrophobicContact CZ-CZ 3.84Å; S348-F373 WeakPolarHBondContact OG-CE2 3.33Å; M352-F373 HydrophobicContact CE-CD2 4.31Å; M352-F373 HydrophobicContact CE-CE2 4.33Å; M352-F373 HydrophobicContact CG-CD2 4.38Å; M352-F373 HydrophobicContact CG-CE2 3.86Å; M352-F373 HydrophobicContact SD-CD2 3.85Å; M352-F373 HydrophobicContact SD-CE2 3.93Å; L369-F373 HydrophobicContact CD2-CD2 4.47Å; P370-F373 HydrophobicContact CB-CB 4.45Å; P370-F373 WeakPolarHBondContact O-CB 3.46Å; P370-F373 PolarHBondContact O-N 3.47Å
374	Q	89.4	Confident	84.3	Confident	106 Å²	106	80.9 Å²	80.9	50%	0.495	45%	0.448	S	S	.	.			trans	-104.4	148.1	177.2	-66.1	-177.7	-10.2	0	0	110.4	D372 Y379	D372-Q374 PolarHBondContact O-N 3.46Å; Q374-Y379 PolarHBondContact OE1-OH 2.9Å
375	T	90.7	Very high	86.1	Confident	38 Å²	38	79.8 Å²	79.8	23%	0.233	43%	0.427	C	S	.	.			trans	-60.9	121.7	176.2	-60.7	0	0	0	0	110	N305 Y377 Q378	N305-T375 PolarHBondContact O-OG1 2.93Å; T375-Y377 HydrophobicContact CG2-CD1 3.67Å; T375-Y377 HydrophobicContact CG2-CD2 4.28Å; T375-Y377 HydrophobicContact CG2-CE1 3.13Å; T375-Y377 HydrophobicContact CG2-CE2 3.85Å; T375-Y377 HydrophobicContact CG2-CG 4.2Å; T375-Y377 PolarHBondContact O-N 3.42Å; T375-Q378 VanDerWaalsContact O-CB 3.27Å; T375-Q378 WeakPolarHBondContact O-CB 3.32Å; T375-Q378 PolarHBondContact O-N 3.2Å
376	P	92.5	Very high	87.7	Confident	24 Å²	24	75.7 Å²	75.7	16%	0.156	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.5	-163.4	22.3	-35.5	0	0	0	115.2	F306 S344 V345	F306-P376 WeakPolarHBondContact O-CG 3.45Å; S344-P376 WeakPolarHBondContact CB-O 3.5Å; V345-P376 HydrophobicContact CG2-CG 3.93Å
377	Y	91.3	Very high	88.9	Confident	23 Å²	23	67.7 Å²	67.7	9%	0.09	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	3	-179.6	58.8	-92	0	0	0	113.6	F306 M307 P308 V345 T375 Y379 S380 L381	F306-Y377 WeakPolarHBondContact O-CD1 3.42Å; F306-Y377 VanDerWaalsContact O-CE1 3.24Å; F306-Y377 WeakPolarHBondContact O-CE1 3.36Å; M307-Y377 VanDerWaalsContact C-OH 3.23Å; M307-Y377 PolarHBondContact O-OH 3.37Å; P308-Y377 VanDerWaalsContact CA-OH 3.31Å; P308-Y377 WeakPolarHBondContact CA-OH 3.38Å; P308-Y377 HydrophobicContact CG-CE1 4.23Å; P308-Y377 HydrophobicContact CG-CE2 3.98Å; P308-Y377 VanDerWaalsContact N-OH 3.16Å; V345-Y377 HydrophobicContact CG2-CD1 3.93Å; T375-Y377 HydrophobicContact CG2-CD1 3.67Å; T375-Y377 HydrophobicContact CG2-CD2 4.28Å; T375-Y377 HydrophobicContact CG2-CE1 3.13Å; T375-Y377 HydrophobicContact CG2-CE2 3.85Å; T375-Y377 HydrophobicContact CG2-CG 4.2Å; T375-Y377 PolarHBondContact O-N 3.42Å; Y377-Y379 PolarHBondContact O-N 2.94Å; Y377-S380 WeakPolarHBondContact O-CB 3.43Å; Y377-S380 PolarHBondContact O-N 2.9Å; Y377-S380 VanDerWaalsContact O-N 3.12Å; Y377-L381 HydrophobicContact CD2-CD1 3.8Å; Y377-L381 HydrophobicContact CE2-CD1 4.06Å
378	Q	88.8	Confident	89.6	Confident	110 Å²	110	68.1 Å²	68.1	51%	0.514	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-60.7	-41.7	-173	-174.8	171	6.5	0	0	113.1	T375 S380 L381	T375-Q378 VanDerWaalsContact O-CB 3.27Å; T375-Q378 WeakPolarHBondContact O-CB 3.32Å; T375-Q378 PolarHBondContact O-N 3.2Å; Q378-S380 PolarHBondContact O-N 3.5Å; Q378-L381 PolarHBondContact O-N 3.33Å; Q378-L381 VanDerWaalsContact O-N 3.08Å
379	Y	87.6	Confident	89.9	Confident	166 Å²	166	67.4 Å²	67.4	65%	0.651	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-63	-31.3	178.1	-66.4	-78.5	0	0	0	113	Q374 Y377 L381 S382	Q374-Y379 PolarHBondContact OE1-OH 2.9Å; Y377-Y379 PolarHBondContact O-N 2.94Å; Y379-L381 PolarHBondContact O-N 3.12Å; Y379-L381 VanDerWaalsContact O-N 3.16Å; Y379-S382 PolarHBondContact O-N 3.31Å; Y379-S382 PolarHBondContact O-OG 3.24Å
380	S	87.8	Confident	90.4	Very high	53 Å²	53	66.3 Å²	66.3	37%	0.371	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-69.7	-8.4	177.6	-57.5	0	0	0	0	113.2	Y377 Q378	Y377-S380 WeakPolarHBondContact O-CB 3.43Å; Y377-S380 PolarHBondContact O-N 2.9Å; Y377-S380 VanDerWaalsContact O-N 3.12Å; Q378-S380 PolarHBondContact O-N 3.5Å
381	L	90.6	Very high	90.8	Very high	29 Å²	29	64.2 Å²	64.2	15%	0.152	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-117.3	11.2	-179.1	-62.5	174.9	0	0	0	112.5	I336 M341 Y377 Q378 Y379 D383 E384 I386	I336-L381 HydrophobicContact CB-CD2 3.98Å; I336-L381 HydrophobicContact CD1-CD2 4.24Å; I336-L381 HydrophobicContact CG2-CD2 4.01Å; M341-L381 HydrophobicContact CE-CD2 3.32Å; M341-L381 HydrophobicContact CE-CG 3.8Å; M341-L381 HydrophobicContact SD-CD2 4.46Å; Y377-L381 HydrophobicContact CD2-CD1 3.8Å; Y377-L381 HydrophobicContact CE2-CD1 4.06Å; Q378-L381 PolarHBondContact O-N 3.33Å; Q378-L381 VanDerWaalsContact O-N 3.08Å; Y379-L381 PolarHBondContact O-N 3.12Å; Y379-L381 VanDerWaalsContact O-N 3.16Å; L381-D383 PolarHBondContact O-N 3.41Å; L381-E384 PolarHBondContact O-N 2.89Å; L381-E384 VanDerWaalsContact O-N 3.1Å; L381-I386 HydrophobicContact CB-CD1 4.1Å; L381-I386 HydrophobicContact CD1-CD1 3.82Å; L381-I386 HydrophobicContact CD2-CD1 4.15Å; L381-I386 HydrophobicContact CG-CD1 4.25Å
382	S	88.4	Confident	91.3	Very high	88 Å²	88	57.9 Å²	57.9	62%	0.615	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.9	-174.8	60.4	0	0	0	0	114	Y379	Y379-S382 PolarHBondContact O-N 3.31Å; Y379-S382 PolarHBondContact O-OG 3.24Å
383	D	88.8	Confident	91.6	Very high	160 Å²	160	57.7 Å²	57.7	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.9	-175.6	-58.3	-12.3	0	0	0	112.2	L381	L381-D383 PolarHBondContact O-N 3.41Å
384	E	92.3	Very high	91.9	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	30%	0.301	C	S	.	.	S	Bend	trans	-98.6	128.5	-178.7	-76.9	-73.3	161	0	0	111.1	I336 L381 I386 S391 R393	I336-E384 HydrophobicContact CD1-CB 4.45Å; I336-E384 HydrophobicContact CD1-CG 3.81Å; L381-E384 PolarHBondContact O-N 2.89Å; L381-E384 VanDerWaalsContact O-N 3.1Å; E384-I386 HydrophobicContact CB-CD1 4.21Å; E384-I386 HydrophobicContact CB-CG1 4.1Å; E384-I386 PolarHBondContact O-N 3.49Å; E384-S391 PolarHBondContact OE2-OG 3.2Å; E384-R393 IonicContact OE1-CZ 2.82Å; E384-R393 VanDerWaalsContact OE1-CZ 3.26Å; E384-R393 IonicContact OE1-NE 2.66Å; E384-R393 PolarHBondContact OE1-NE 3.11Å; E384-R393 IonicContact OE1-NH2 3.56Å; E384-R393 PolarHBondContact OE1-NH2 2.94Å; E384-R393 IonicContact OE2-NE 3.18Å; E384-R393 IonicContact OE2-NH2 2.78Å
385	L	94.1	Very high	92.3	Very high	37 Å²	37	51.2 Å²	51.2	19%	0.194	28%	0.277	C	S	.	.			trans	-81.7	98.7	173.9	-177.1	53.9	0	0	0	110.1	I387 L392 R430 I433	L385-I387 HydrophobicContact CD1-CD1 4.24Å; L385-I387 HydrophobicContact CD1-CG1 4.46Å; L385-L392 HydrophobicContact CD2-CD1 3.74Å; L385-L392 HydrophobicContact CG-CD1 3.8Å; L385-L392 HydrophobicContact CG-CG 4.18Å; L385-L392 PolarHBondContact O-N 2.94Å; L385-R430 HydrophobicContact CD2-CG 4.31Å; L385-I433 HydrophobicContact CD2-CB 4.27Å; L385-I433 HydrophobicContact CD2-CD1 4.43Å; L385-I433 HydrophobicContact CD2-CG2 3.94Å
386	I	94.3	Very high	92.6	Very high	61 Å²	61	50.4 Å²	50.4	31%	0.313	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.8	-178.1	-59.5	175.7	0	0	0	110.2	L381 E384 I390	L381-I386 HydrophobicContact CB-CD1 4.1Å; L381-I386 HydrophobicContact CD1-CD1 3.82Å; L381-I386 HydrophobicContact CD2-CD1 4.15Å; L381-I386 HydrophobicContact CG-CD1 4.25Å; E384-I386 HydrophobicContact CB-CD1 4.21Å; E384-I386 HydrophobicContact CB-CG1 4.1Å; E384-I386 PolarHBondContact O-N 3.49Å; I386-I390 VanDerWaalsContact CA-O 3.3Å; I386-I390 WeakPolarHBondContact CA-O 3.19Å
387	I	94.8	Very high	92.8	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.9	176.7	-57.8	-61.3	0	0	0	109.3	L385 G389 I390 L392 F409 D412 L413 T416 L434	L385-I387 HydrophobicContact CD1-CD1 4.24Å; L385-I387 HydrophobicContact CD1-CG1 4.46Å; I387-G389 PolarHBondContact O-N 3.47Å; I387-G389 VanDerWaalsContact O-N 3.14Å; I387-I390 PolarHBondContact N-O 2.86Å; I387-I390 PolarHBondContact O-N 2.76Å; I387-L392 HydrophobicContact CB-CD2 4.32Å; I387-L392 HydrophobicContact CG1-CD1 3.97Å; I387-L392 HydrophobicContact CG1-CD2 4.43Å; I387-L392 HydrophobicContact CG1-CG 4.27Å; I387-F409 HydrophobicContact CB-CE2 4.34Å; I387-F409 HydrophobicContact CG2-CE2 4.49Å; I387-D412 HydrophobicContact CG2-CB 4.02Å; I387-L413 HydrophobicContact CB-CD1 4.47Å; I387-L413 HydrophobicContact CG2-CB 4.35Å; I387-L413 HydrophobicContact CG2-CD1 4.21Å; I387-T416 HydrophobicContact CD1-CG2 3.75Å; I387-L434 HydrophobicContact CG1-CD2 4.12Å
388	G	88.6	Confident	92.9	Very high	33 Å²	33	55.7 Å²	55.7	34%	0.34	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	22.2	-177.6	0	0	0	0	0	114.5	D412	G388-D412 WeakPolarHBondContact CA-OD2 3.46Å
389	G	89.3	Confident	93.2	Very high	43 Å²	43	51.3 Å²	51.3	44%	0.443	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	8.4	-174.1	0	0	0	0	0	114.9	I387	I387-G389 PolarHBondContact O-N 3.47Å; I387-G389 VanDerWaalsContact O-N 3.14Å
390	I	95.4	Very high	93.3	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.2	-178	-67.4	154.7	0	0	0	111	P333 E334 I386 I387 L392 F395 L403 F409	P333-I390 HydrophobicContact CB-CG2 4.17Å; P333-I390 CarbonylContact O-C 3.5Å; P333-I390 WeakPolarHBondContact O-CA 3.29Å; E334-I390 HydrophobicContact CG-CG1 4.15Å; I386-I390 VanDerWaalsContact CA-O 3.3Å; I386-I390 WeakPolarHBondContact CA-O 3.19Å; I387-I390 PolarHBondContact N-O 2.86Å; I387-I390 PolarHBondContact O-N 2.76Å; I390-L392 PolarHBondContact O-N 3.37Å; I390-F395 HydrophobicContact CG2-CB 3.9Å; I390-F395 HydrophobicContact CG2-CG 4.35Å; I390-L403 HydrophobicContact CD1-CD1 4.25Å; I390-L403 HydrophobicContact CD1-CD2 3.7Å; I390-L403 HydrophobicContact CG1-CD2 4.08Å; I390-F409 HydrophobicContact CB-CD2 4.16Å; I390-F409 HydrophobicContact CB-CE2 3.94Å; I390-F409 HydrophobicContact CB-CZ 4.25Å; I390-F409 HydrophobicContact CD1-CB 3.49Å; I390-F409 VanDerWaalsContact CD1-CB 3.49Å; I390-F409 HydrophobicContact CD1-CD1 3.61Å; I390-F409 HydrophobicContact CD1-CD2 3.45Å; I390-F409 VanDerWaalsContact CD1-CD2 3.45Å; I390-F409 HydrophobicContact CD1-CE1 4.15Å; I390-F409 HydrophobicContact CD1-CE2 4.02Å; I390-F409 HydrophobicContact CD1-CG 3.22Å; I390-F409 HydrophobicContact CD1-CZ 4.33Å; I390-F409 HydrophobicContact CG1-CD2 4.38Å; I390-F409 HydrophobicContact CG2-CE1 4.28Å; I390-F409 HydrophobicContact CG2-CE2 4.13Å; I390-F409 HydrophobicContact CG2-CZ 3.91Å
391	S	96	Very high	93.6	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	116.6	170.5	168	0	0	0	0	109.6	P333 E384 R393 L394 F395	P333-S391 PolarHBondContact O-N 2.89Å; E384-S391 PolarHBondContact OE2-OG 3.2Å; S391-R393 VanDerWaalsContact C-N 3.29Å; S391-R393 PolarHBondContact O-N 3.21Å; S391-L394 PolarHBondContact O-N 3.09Å; S391-L394 PolarHBondContact OG-N 3.3Å; S391-F395 WeakPolarHBondContact O-CB 3.34Å; S391-F395 PolarHBondContact O-N 3.22Å
392	L	97.1	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-34.5	-179	-60.4	-166.8	0	0	0	111.7	L385 I387 I390 F395 I396 F409 L413 I433 L434 A437	L385-L392 HydrophobicContact CD2-CD1 3.74Å; L385-L392 HydrophobicContact CG-CD1 3.8Å; L385-L392 HydrophobicContact CG-CG 4.18Å; L385-L392 PolarHBondContact O-N 2.94Å; I387-L392 HydrophobicContact CB-CD2 4.32Å; I387-L392 HydrophobicContact CG1-CD1 3.97Å; I387-L392 HydrophobicContact CG1-CD2 4.43Å; I387-L392 HydrophobicContact CG1-CG 4.27Å; I390-L392 PolarHBondContact O-N 3.37Å; L392-F395 PolarHBondContact O-N 3.47Å; L392-I396 VanDerWaalsContact O-CB 3.27Å; L392-I396 WeakPolarHBondContact O-CB 3.33Å; L392-I396 WeakPolarHBondContact O-CD1 3.34Å; L392-I396 WeakPolarHBondContact O-CG1 3.5Å; L392-I396 PolarHBondContact O-N 2.97Å; L392-F409 HydrophobicContact CD2-CE2 3.8Å; L392-F409 HydrophobicContact CD2-CZ 3.61Å; L392-L413 HydrophobicContact CD1-CD1 4.32Å; L392-L413 HydrophobicContact CD2-CD1 4.28Å; L392-I433 HydrophobicContact CB-CG2 3.81Å; L392-I433 HydrophobicContact CD1-CG2 3.92Å; L392-L434 HydrophobicContact CD1-CD2 3.69Å; L392-L434 HydrophobicContact CD1-CG 4.47Å; L392-A437 HydrophobicContact CD1-CB 4.36Å; L392-A437 HydrophobicContact CD2-CB 3.94Å
393	R	96.3	Very high	94	Very high	122 Å²	122	52.4 Å²	52.4	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-50.8	176.3	-179.5	-177.6	62.7	77.9	-3.8	110.9	E331 E384 S391 S397	E331-R393 IonicContact OE2-NH2 2.87Å; E384-R393 IonicContact OE1-CZ 2.82Å; E384-R393 VanDerWaalsContact OE1-CZ 3.26Å; E384-R393 IonicContact OE1-NE 2.66Å; E384-R393 PolarHBondContact OE1-NE 3.11Å; E384-R393 IonicContact OE1-NH2 3.56Å; E384-R393 PolarHBondContact OE1-NH2 2.94Å; E384-R393 IonicContact OE2-NE 3.18Å; E384-R393 IonicContact OE2-NH2 2.78Å; S391-R393 VanDerWaalsContact C-N 3.29Å; S391-R393 PolarHBondContact O-N 3.21Å; R393-S397 PolarHBondContact O-N 3.37Å
394	L	96.6	Very high	94.1	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-42.9	-179.5	-67.8	176.6	0	0	0	111.4	E331 T332 P333 I336 S391 I396 S397 N398	E331-L394 HydrophobicContact CB-CD1 4.27Å; T332-L394 VanDerWaalsContact O-CD1 3.31Å; T332-L394 WeakPolarHBondContact O-CD1 3.2Å; P333-L394 HydrophobicContact CG-CB 4.25Å; I336-L394 HydrophobicContact CD1-CD1 3.98Å; I336-L394 HydrophobicContact CG1-CD1 3.69Å; S391-L394 PolarHBondContact O-N 3.09Å; S391-L394 PolarHBondContact OG-N 3.3Å; L394-I396 PolarHBondContact O-N 2.97Å; L394-S397 PolarHBondContact O-N 2.99Å; L394-S397 PolarHBondContact O-OG 2.99Å; L394-N398 PolarHBondContact O-N 3.5Å; L394-N398 VanDerWaalsContact O-N 3.09Å
395	F	97.4	Very high	94.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-45.9	176.9	-179.7	-109	0	0	0	112.4	P333 I390 S391 L392 S397 N398 P399 L403 F409 A437 L440 L441	P333-F395 HydrophobicContact CB-CB 4.11Å; P333-F395 HydrophobicContact CB-CD2 4.47Å; P333-F395 HydrophobicContact CG-CB 4.48Å; I390-F395 HydrophobicContact CG2-CB 3.9Å; I390-F395 HydrophobicContact CG2-CG 4.35Å; S391-F395 WeakPolarHBondContact O-CB 3.34Å; S391-F395 PolarHBondContact O-N 3.22Å; L392-F395 PolarHBondContact O-N 3.47Å; F395-S397 VanDerWaalsContact C-N 3.25Å; F395-S397 PolarHBondContact O-N 3.44Å; F395-N398 CarbonylContact O-C 3.37Å; F395-N398 PolarHBondContact O-N 3.36Å; F395-N398 VanDerWaalsContact O-N 3.12Å; F395-P399 WeakPolarHBondContact O-CA 3.23Å; F395-P399 VanDerWaalsContact O-N 3.07Å; F395-L403 HydrophobicContact CD2-CD1 4.33Å; F395-L403 HydrophobicContact CD2-CD2 4.4Å; F395-L403 HydrophobicContact CE2-CD1 3.8Å; F395-L403 HydrophobicContact CE2-CG 4.3Å; F395-L403 HydrophobicContact CZ-CD1 4.4Å; F395-F409 HydrophobicContact CD1-CE1 4.04Å; F395-F409 HydrophobicContact CD1-CZ 4.32Å; F395-F409 AromaticContact CE1-CE1 3.98Å; F395-F409 HydrophobicContact CE1-CE1 3.98Å; F395-F409 HydrophobicContact CG-CE1 4.36Å; F395-F409 HydrophobicContact CZ-CE1 4.25Å; F395-A437 HydrophobicContact CD1-CB 4.33Å; F395-A437 WeakPolarHBondContact CE1-O 3.13Å; F395-L440 HydrophobicContact CE1-CB 4.13Å; F395-L441 HydrophobicContact CE1-CB 4.21Å; F395-L441 HydrophobicContact CZ-CB 4.15Å; F395-L441 HydrophobicContact CZ-CD1 4.28Å
396	I	96.8	Very high	94.1	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-35	178.5	-70.4	168.1	0	0	0	111.4	L392 L394 N398 I433 K436 A437 L440	L392-I396 VanDerWaalsContact O-CB 3.27Å; L392-I396 WeakPolarHBondContact O-CB 3.33Å; L392-I396 WeakPolarHBondContact O-CD1 3.34Å; L392-I396 WeakPolarHBondContact O-CG1 3.5Å; L392-I396 PolarHBondContact O-N 2.97Å; L394-I396 PolarHBondContact O-N 2.97Å; I396-N398 VanDerWaalsContact C-N 3.32Å; I396-I433 HydrophobicContact CD1-CG2 3.75Å; I396-K436 HydrophobicContact CD1-CB 4.16Å; I396-K436 HydrophobicContact CD1-CD 4.26Å; I396-K436 HydrophobicContact CD1-CG 3.94Å; I396-K436 HydrophobicContact CG1-CG 4.05Å; I396-K436 HydrophobicContact CG2-CD 3.73Å; I396-K436 VanDerWaalsContact CG2-CE 3.45Å; I396-K436 HydrophobicContact CG2-CG 3.99Å; I396-A437 HydrophobicContact CD1-CB 4.37Å; I396-A437 HydrophobicContact CG1-CB 4.32Å; I396-L440 HydrophobicContact CB-CD1 4.19Å; I396-L440 HydrophobicContact CG1-CD1 4.04Å; I396-L440 HydrophobicContact CG2-CD1 4.05Å
397	S	95.6	Very high	94.2	Very high	88 Å²	88	50.7 Å²	50.7	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-71	-27	177	76.2	0	0	0	0	113.4	R393 L394 F395	R393-S397 PolarHBondContact O-N 3.37Å; L394-S397 PolarHBondContact O-N 2.99Å; L394-S397 PolarHBondContact O-OG 2.99Å; F395-S397 VanDerWaalsContact C-N 3.25Å; F395-S397 PolarHBondContact O-N 3.44Å
398	N	95.3	Very high	94.2	Very high	70 Å²	70	56.2 Å²	56.2	37%	0.374	30%	0.303	S	S	.	.			trans	-138.6	73.3	178.9	-174	11.5	0	0	0	111.6	L394 F395 I396 A400 W401	L394-N398 PolarHBondContact O-N 3.5Å; L394-N398 VanDerWaalsContact O-N 3.09Å; F395-N398 CarbonylContact O-C 3.37Å; F395-N398 PolarHBondContact O-N 3.36Å; F395-N398 VanDerWaalsContact O-N 3.12Å; I396-N398 VanDerWaalsContact C-N 3.32Å; N398-A400 PolarHBondContact O-N 3.29Å; N398-W401 WeakPolarHBondContact O-CB 3.47Å; N398-W401 PolarHBondContact O-N 2.9Å; N398-W401 VanDerWaalsContact O-N 3.12Å
399	P	93.2	Very high	94.6	Very high	19 Å²	19	54.7 Å²	54.7	12%	0.123	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.9	-173.5	27.2	-35.2	0	0	0	113.5	F395 W401 L440 C444	F395-P399 WeakPolarHBondContact O-CA 3.23Å; F395-P399 VanDerWaalsContact O-N 3.07Å; P399-W401 PolarHBondContact O-N 3.04Å; P399-L440 HydrophobicContact CB-CB 4.02Å; P399-L440 HydrophobicContact CB-CD1 4.2Å; P399-L440 HydrophobicContact CB-CD2 4.05Å; P399-L440 HydrophobicContact CB-CG 4.31Å; P399-L440 HydrophobicContact CG-CD2 4.23Å; P399-C444 PolarHBondContact O-SG 3.1Å; P399-C444 VanDerWaalsContact O-SG 3.34Å
400	A	91.3	Very high	95	Very high	78 Å²	78	52.7 Å²	52.7	65%	0.645	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	1.6	175.8	0	0	0	0	0	113.2	N398 K402	N398-A400 PolarHBondContact O-N 3.29Å; A400-K402 PolarHBondContact O-N 3.42Å
401	W	93.7	Very high	95.1	Very high	78 Å²	78	54.1 Å²	54.1	30%	0.295	27%	0.274	S	S	.	.			trans	-57	128.7	175.8	-174.8	-90.2	0	0	0	111.3	T332 P333 E334 N398 P399 L403	T332-W401 HydrophobicContact CG2-CH2 3.27Å; T332-W401 HydrophobicContact CG2-CZ2 3.76Å; T332-W401 HydrophobicContact CG2-CZ3 3.9Å; P333-W401 HydrophobicContact CB-CG 4.24Å; P333-W401 HydrophobicContact CG-CB 3.89Å; P333-W401 HydrophobicContact CG-CD2 3.97Å; P333-W401 HydrophobicContact CG-CE3 4.47Å; P333-W401 HydrophobicContact CG-CG 3.67Å; E334-W401 PolarHBondContact OE2-NE1 2.92Å; N398-W401 WeakPolarHBondContact O-CB 3.47Å; N398-W401 PolarHBondContact O-N 2.9Å; N398-W401 VanDerWaalsContact O-N 3.12Å; P399-W401 PolarHBondContact O-N 3.04Å; W401-L403 PolarHBondContact O-N 3.17Å
402	K	93.4	Very high	95.1	Very high	188 Å²	188	56.1 Å²	56.1	82%	0.817	28%	0.284	S	S	*	.			trans	-76.9	90.8	178.3	-66.4	-176	-178.3	179	0	109.7	A400	A400-K402 PolarHBondContact O-N 3.42Å
403	L	93.3	Very high	95.1	Very high	15 Å²	15	56.1 Å²	56.1	8%	0.079	28%	0.284	C	S	.	.			trans	-65.2	141.5	176.3	-64	171.2	0	0	0	111.4	E334 I390 F395 W401 P406 F409 L441	E334-L403 HydrophobicContact CG-CD2 3.88Å; I390-L403 HydrophobicContact CD1-CD1 4.25Å; I390-L403 HydrophobicContact CD1-CD2 3.7Å; I390-L403 HydrophobicContact CG1-CD2 4.08Å; F395-L403 HydrophobicContact CD2-CD1 4.33Å; F395-L403 HydrophobicContact CD2-CD2 4.4Å; F395-L403 HydrophobicContact CE2-CD1 3.8Å; F395-L403 HydrophobicContact CE2-CG 4.3Å; F395-L403 HydrophobicContact CZ-CD1 4.4Å; W401-L403 PolarHBondContact O-N 3.17Å; L403-P406 HydrophobicContact CB-CB 4.22Å; L403-P406 HydrophobicContact CD1-CB 4.38Å; L403-F409 HydrophobicContact CD1-CD1 3.65Å; L403-F409 HydrophobicContact CD1-CE1 4.2Å; L403-L441 HydrophobicContact CD1-CD1 3.94Å
404	R	91.4	Very high	95.2	Very high	95 Å²	95	50.3 Å²	50.3	36%	0.358	26%	0.262	S	S	.	.	S	Bend	trans	-68.4	-41.9	175.4	-68.2	176.6	174.5	-106.9	-2.6	112.1	E317 E334	E317-R404 VanDerWaalsContact CD-NH1 3.28Å; E317-R404 IonicContact OE1-NH1 3.79Å; E317-R404 PolarHBondContact OE1-NH1 2.93Å; E317-R404 VanDerWaalsContact OE1-NH1 3.14Å; E317-R404 IonicContact OE2-CZ 3.26Å; E317-R404 IonicContact OE2-NH1 2.79Å; E317-R404 PolarHBondContact OE2-NH1 3.27Å; E317-R404 IonicContact OE2-NH2 3.07Å; E317-R404 PolarHBondContact OE2-NH2 3.4Å; E334-R404 WeakPolarHBondContact OE1-CB 3.11Å; E334-R404 PolarHBondContact OE1-N 3.29Å
405	A	92.2	Very high	95.2	Very high	46 Å²	46	53.1 Å²	53.1	38%	0.38	28%	0.278	S	S	.	.			trans	-130.1	61.9	-174.7	0	0	0	0	0	113.1	K407 K408 F409	A405-K407 VanDerWaalsContact C-N 3.26Å; A405-K407 PolarHBondContact O-N 3.32Å; A405-K408 HydrophobicContact CB-CB 4Å; A405-K408 PolarHBondContact O-N 3.33Å; A405-F409 PolarHBondContact O-N 3.36Å
406	P	95.1	Very high	95.1	Very high	30 Å²	30	54.4 Å²	54.4	20%	0.195	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-30.9	-172.4	25.4	-35.2	0	0	0	113.4	L403 L410 L441 L448	L403-P406 HydrophobicContact CB-CB 4.22Å; L403-P406 HydrophobicContact CD1-CB 4.38Å; P406-L410 PolarHBondContact O-N 2.96Å; P406-L441 HydrophobicContact CB-CD1 4.44Å; P406-L448 HydrophobicContact CB-CD1 4.11Å
407	K	95.8	Very high	95.1	Very high	98 Å²	98	53.4 Å²	53.4	43%	0.426	28%	0.28	S	S	.	.	H	α-helix	trans	-69	-38.6	174.8	-174.5	178.8	178.3	-177	0	112.7	A405 L410 I411 L448 A451 H455	A405-K407 VanDerWaalsContact C-N 3.26Å; A405-K407 PolarHBondContact O-N 3.32Å; K407-L410 WeakPolarHBondContact O-CB 3.25Å; K407-L410 PolarHBondContact O-N 3.38Å; K407-I411 HydrophobicContact CG-CD1 4.38Å; K407-I411 WeakPolarHBondContact O-CG1 3.3Å; K407-I411 PolarHBondContact O-N 3.04Å; K407-L448 HydrophobicContact CB-CD2 4.12Å; K407-A451 HydrophobicContact CG-CB 4.46Å; K407-H455 WeakPolarHBondContact CE-NE2 3.46Å; K407-H455 PolarHBondContact NZ-NE2 3.33Å; K407-H455 VanDerWaalsContact NZ-NE2 3.13Å
408	K	94.7	Very high	95	Very high	129 Å²	129	49.7 Å²	49.7	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-66	-44.9	175.5	-178.4	-176.6	173.8	-172.2	0	109.9	A405 L410 I411 D412	A405-K408 HydrophobicContact CB-CB 4Å; A405-K408 PolarHBondContact O-N 3.33Å; K408-L410 VanDerWaalsContact C-N 3.33Å; K408-L410 PolarHBondContact O-N 3.03Å; K408-I411 WeakPolarHBondContact O-CB 3.04Å; K408-I411 PolarHBondContact O-N 3.49Å; K408-I411 VanDerWaalsContact O-N 3.12Å; K408-D412 PolarHBondContact O-N 3.36Å
409	F	96.7	Very high	94.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-45.1	175.4	-179.7	-140.4	0	0	0	112.4	I387 I390 L392 F395 L403 A405 I411 D412 L413 L441	I387-F409 HydrophobicContact CB-CE2 4.34Å; I387-F409 HydrophobicContact CG2-CE2 4.49Å; I390-F409 HydrophobicContact CB-CD2 4.16Å; I390-F409 HydrophobicContact CB-CE2 3.94Å; I390-F409 HydrophobicContact CB-CZ 4.25Å; I390-F409 HydrophobicContact CD1-CB 3.49Å; I390-F409 VanDerWaalsContact CD1-CB 3.49Å; I390-F409 HydrophobicContact CD1-CD1 3.61Å; I390-F409 HydrophobicContact CD1-CD2 3.45Å; I390-F409 VanDerWaalsContact CD1-CD2 3.45Å; I390-F409 HydrophobicContact CD1-CE1 4.15Å; I390-F409 HydrophobicContact CD1-CE2 4.02Å; I390-F409 HydrophobicContact CD1-CG 3.22Å; I390-F409 HydrophobicContact CD1-CZ 4.33Å; I390-F409 HydrophobicContact CG1-CD2 4.38Å; I390-F409 HydrophobicContact CG2-CE1 4.28Å; I390-F409 HydrophobicContact CG2-CE2 4.13Å; I390-F409 HydrophobicContact CG2-CZ 3.91Å; L392-F409 HydrophobicContact CD2-CE2 3.8Å; L392-F409 HydrophobicContact CD2-CZ 3.61Å; F395-F409 HydrophobicContact CD1-CE1 4.04Å; F395-F409 HydrophobicContact CD1-CZ 4.32Å; F395-F409 AromaticContact CE1-CE1 3.98Å; F395-F409 HydrophobicContact CE1-CE1 3.98Å; F395-F409 HydrophobicContact CG-CE1 4.36Å; F395-F409 HydrophobicContact CZ-CE1 4.25Å; L403-F409 HydrophobicContact CD1-CD1 3.65Å; L403-F409 HydrophobicContact CD1-CE1 4.2Å; A405-F409 PolarHBondContact O-N 3.36Å; F409-I411 VanDerWaalsContact C-N 3.3Å; F409-I411 PolarHBondContact O-N 3.1Å; F409-D412 PolarHBondContact O-N 3.07Å; F409-L413 HydrophobicContact CD2-CB 4.48Å; F409-L413 HydrophobicContact CE1-CD2 4.45Å; F409-L413 HydrophobicContact CE2-CB 4.35Å; F409-L413 HydrophobicContact CE2-CD1 4.35Å; F409-L413 HydrophobicContact CE2-CD2 4.37Å; F409-L413 HydrophobicContact CZ-CD2 4.09Å; F409-L413 WeakPolarHBondContact O-CB 3.41Å; F409-L413 PolarHBondContact O-N 3.31Å; F409-L441 HydrophobicContact CD1-CD1 3.94Å; F409-L441 HydrophobicContact CD1-CD2 3.66Å; F409-L441 HydrophobicContact CD1-CG 4.34Å; F409-L441 HydrophobicContact CE1-CD1 4.36Å; F409-L441 HydrophobicContact CE1-CD2 4.06Å; F409-L441 HydrophobicContact CG-CD2 4.35Å
410	L	97.3	Very high	95	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-46.9	174.2	176.4	72.6	0	0	0	112.2	P406 K407 K408 L413 L414 L438 L441 L442 L448 A451 V452	P406-L410 PolarHBondContact O-N 2.96Å; K407-L410 WeakPolarHBondContact O-CB 3.25Å; K407-L410 PolarHBondContact O-N 3.38Å; K408-L410 VanDerWaalsContact C-N 3.33Å; K408-L410 PolarHBondContact O-N 3.03Å; L410-L413 PolarHBondContact O-N 3.13Å; L410-L414 HydrophobicContact CD1-CD1 3.89Å; L410-L414 HydrophobicContact CD1-CG 4.26Å; L410-L414 HydrophobicContact CG-CD1 3.91Å; L410-L414 WeakPolarHBondContact O-CB 3.49Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 3.05Å; L410-L438 HydrophobicContact CD1-CD1 3.57Å; L410-L441 HydrophobicContact CB-CD2 3.9Å; L410-L441 HydrophobicContact CD1-CD2 4.09Å; L410-L442 HydrophobicContact CD1-CD2 3.83Å; L410-L442 HydrophobicContact CD1-CG 4.44Å; L410-L448 HydrophobicContact CD2-CB 4.07Å; L410-A451 HydrophobicContact CD2-CB 3.84Å; L410-V452 HydrophobicContact CD1-CG2 4.29Å; L410-V452 HydrophobicContact CD2-CG2 4.05Å
411	I	97.2	Very high	95	Very high	37 Å²	37	50.1 Å²	50.1	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-50.2	-179	-73.6	165.8	0	0	0	110.6	K407 K408 F409 L413 L414 N415 Y457	K407-I411 HydrophobicContact CG-CD1 4.38Å; K407-I411 WeakPolarHBondContact O-CG1 3.3Å; K407-I411 PolarHBondContact O-N 3.04Å; K408-I411 WeakPolarHBondContact O-CB 3.04Å; K408-I411 PolarHBondContact O-N 3.49Å; K408-I411 VanDerWaalsContact O-N 3.12Å; F409-I411 VanDerWaalsContact C-N 3.3Å; F409-I411 PolarHBondContact O-N 3.1Å; I411-L413 VanDerWaalsContact C-N 3.3Å; I411-L413 PolarHBondContact O-N 3.44Å; I411-L414 PolarHBondContact O-N 3.48Å; I411-N415 WeakPolarHBondContact O-CB 3.49Å; I411-N415 VanDerWaalsContact O-CG 3.29Å; I411-N415 PolarHBondContact O-N 3.34Å; I411-N415 PolarHBondContact O-ND2 3.32Å; I411-Y457 HydrophobicContact CG1-CE2 4.45Å; I411-Y457 WeakPolarHBondContact CG2-OH 3.19Å
412	D	97.2	Very high	94.9	Very high	45 Å²	45	53.4 Å²	53.4	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-37.5	-179.4	-67	-23.7	0	0	0	111.4	I387 G388 K408 F409 T416	I387-D412 HydrophobicContact CG2-CB 4.02Å; G388-D412 WeakPolarHBondContact CA-OD2 3.46Å; K408-D412 PolarHBondContact O-N 3.36Å; F409-D412 PolarHBondContact O-N 3.07Å; D412-T416 WeakPolarHBondContact O-CB 3.34Å; D412-T416 PolarHBondContact O-N 3.39Å; D412-T416 PolarHBondContact O-OG1 3.05Å
413	L	97.4	Very high	94.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-46.5	177.3	-169	64.9	0	0	0	112.2	I387 L392 F409 L410 I411 T416 L417 L434 A437 L438 L441	I387-L413 HydrophobicContact CB-CD1 4.47Å; I387-L413 HydrophobicContact CG2-CB 4.35Å; I387-L413 HydrophobicContact CG2-CD1 4.21Å; L392-L413 HydrophobicContact CD1-CD1 4.32Å; L392-L413 HydrophobicContact CD2-CD1 4.28Å; F409-L413 HydrophobicContact CD2-CB 4.48Å; F409-L413 HydrophobicContact CE1-CD2 4.45Å; F409-L413 HydrophobicContact CE2-CB 4.35Å; F409-L413 HydrophobicContact CE2-CD1 4.35Å; F409-L413 HydrophobicContact CE2-CD2 4.37Å; F409-L413 HydrophobicContact CZ-CD2 4.09Å; F409-L413 WeakPolarHBondContact O-CB 3.41Å; F409-L413 PolarHBondContact O-N 3.31Å; L410-L413 PolarHBondContact O-N 3.13Å; I411-L413 VanDerWaalsContact C-N 3.3Å; I411-L413 PolarHBondContact O-N 3.44Å; L413-T416 PolarHBondContact O-N 3.49Å; L413-L417 VanDerWaalsContact O-CB 3.22Å; L413-L417 WeakPolarHBondContact O-CB 3.39Å; L413-L417 PolarHBondContact O-N 3.27Å; L413-L434 HydrophobicContact CD1-CD2 3.57Å; L413-A437 HydrophobicContact CD1-CB 4.39Å; L413-A437 HydrophobicContact CD2-CB 4.11Å; L413-L438 HydrophobicContact CD2-CB 3.72Å; L413-L438 HydrophobicContact CD2-CD1 4.07Å; L413-L438 HydrophobicContact CD2-CG 4.49Å; L413-L438 HydrophobicContact CG-CB 4.39Å; L413-L441 HydrophobicContact CD2-CD2 4.43Å
414	L	97.1	Very high	94.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-42.7	176.4	-77.5	171.3	0	0	0	112.1	L410 I411 L417 L418 L438 V452 Y457	L410-L414 HydrophobicContact CD1-CD1 3.89Å; L410-L414 HydrophobicContact CD1-CG 4.26Å; L410-L414 HydrophobicContact CG-CD1 3.91Å; L410-L414 WeakPolarHBondContact O-CB 3.49Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 3.05Å; I411-L414 PolarHBondContact O-N 3.48Å; L414-L417 PolarHBondContact O-N 3.2Å; L414-L418 WeakPolarHBondContact O-CB 3.41Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.42Å; L414-L418 PolarHBondContact O-N 3.43Å; L414-L438 HydrophobicContact CD2-CD1 4.21Å; L414-L438 HydrophobicContact CD2-CD2 3.68Å; L414-L438 HydrophobicContact CG-CD1 4.32Å; L414-V452 HydrophobicContact CD1-CG1 4.15Å; L414-V452 HydrophobicContact CD1-CG2 4.06Å; L414-Y457 HydrophobicContact CB-CD1 4.35Å; L414-Y457 HydrophobicContact CB-CE1 4.2Å; L414-Y457 HydrophobicContact CD1-CD2 3.71Å; L414-Y457 HydrophobicContact CD1-CE2 3.93Å; L414-Y457 HydrophobicContact CD1-CG 4.05Å
415	N	96.8	Very high	94.3	Very high	75 Å²	75	56 Å²	56	40%	0.401	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-47.3	176.7	-77.3	-31.5	0	0	0	111.3	I411 Q419 Y457	I411-N415 WeakPolarHBondContact O-CB 3.49Å; I411-N415 VanDerWaalsContact O-CG 3.29Å; I411-N415 PolarHBondContact O-N 3.34Å; I411-N415 PolarHBondContact O-ND2 3.32Å; N415-Q419 VanDerWaalsContact O-CB 3.22Å; N415-Q419 WeakPolarHBondContact O-CB 3.36Å; N415-Q419 PolarHBondContact O-N 3.27Å; N415-Y457 WeakPolarHBondContact OD1-CE1 3.16Å; N415-Y457 PolarHBondContact OD1-OH 3.12Å
416	T	96.3	Very high	94.2	Very high	26 Å²	26	55.5 Å²	55.5	16%	0.16	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-48.1	178.3	-54.3	0	0	0	0	110.9	I387 D412 L413 L418 Q419 D420 L434	I387-T416 HydrophobicContact CD1-CG2 3.75Å; D412-T416 WeakPolarHBondContact O-CB 3.34Å; D412-T416 PolarHBondContact O-N 3.39Å; D412-T416 PolarHBondContact O-OG1 3.05Å; L413-T416 PolarHBondContact O-N 3.49Å; T416-L418 PolarHBondContact O-N 3.12Å; T416-Q419 PolarHBondContact O-N 3.26Å; T416-D420 WeakPolarHBondContact O-CB 3.32Å; T416-D420 VanDerWaalsContact O-CG 3.26Å; T416-D420 PolarHBondContact O-N 2.98Å; T416-L434 HydrophobicContact CG2-CD1 4.3Å; T416-L434 HydrophobicContact CG2-CD2 4.3Å
417	L	95.5	Very high	94.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-46	-178	-172.6	164.3	0	0	0	111.7	L413 L414 Q419 D420 C421 L434 D435 L438 I479	L413-L417 VanDerWaalsContact O-CB 3.22Å; L413-L417 WeakPolarHBondContact O-CB 3.39Å; L413-L417 PolarHBondContact O-N 3.27Å; L414-L417 PolarHBondContact O-N 3.2Å; L417-Q419 VanDerWaalsContact C-N 3.33Å; L417-Q419 PolarHBondContact O-N 3.3Å; L417-D420 PolarHBondContact O-N 3.15Å; L417-C421 PolarHBondContact O-N 3.26Å; L417-C421 PolarHBondContact O-SG 3.33Å; L417-L434 HydrophobicContact CB-CB 4.46Å; L417-L434 HydrophobicContact CB-CD1 4.49Å; L417-L434 HydrophobicContact CD1-CB 4.1Å; L417-L434 HydrophobicContact CG-CB 4.31Å; L417-D435 WeakPolarHBondContact CD1-OD1 3.2Å; L417-L438 HydrophobicContact CD1-CD2 3.97Å; L417-I479 HydrophobicContact CD1-CD1 4.15Å; L417-I479 HydrophobicContact CD2-CD1 3.46Å; L417-I479 VanDerWaalsContact CD2-CD1 3.46Å; L417-I479 HydrophobicContact CG-CD1 4.47Å
418	L	94.1	Very high	93.9	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-32.6	177.9	-68.8	175.3	0	0	0	112.4	L414 T416 R422 Y457 H460 I461	L414-L418 WeakPolarHBondContact O-CB 3.41Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.42Å; L414-L418 PolarHBondContact O-N 3.43Å; T416-L418 PolarHBondContact O-N 3.12Å; L418-R422 WeakPolarHBondContact O-CG 3.44Å; L418-R422 PolarHBondContact O-N 3.26Å; L418-Y457 HydrophobicContact CD1-CD1 3.92Å; L418-H460 HydrophobicContact CD1-CB 4.34Å; L418-I461 HydrophobicContact CD1-CG1 4.44Å; L418-I461 HydrophobicContact CD2-CG1 4.09Å
419	Q	94.2	Very high	93.9	Very high	136 Å²	136	55.7 Å²	55.7	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-67	-46.5	172.5	179.9	176.1	-6.6	0	0	111.2	N415 T416 L417 C421 R422 S423	N415-Q419 VanDerWaalsContact O-CB 3.22Å; N415-Q419 WeakPolarHBondContact O-CB 3.36Å; N415-Q419 PolarHBondContact O-N 3.27Å; T416-Q419 PolarHBondContact O-N 3.26Å; L417-Q419 VanDerWaalsContact C-N 3.33Å; L417-Q419 PolarHBondContact O-N 3.3Å; Q419-C421 VanDerWaalsContact C-N 3.27Å; Q419-C421 PolarHBondContact O-N 3Å; Q419-R422 PolarHBondContact O-N 2.89Å; Q419-S423 PolarHBondContact O-N 3.02Å
420	D	93.6	Very high	93.7	Very high	33 Å²	33	59 Å²	59	18%	0.176	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-34.7	178.8	-71.7	-2.8	0	0	0	111.2	T416 L417 R422 S423 R430 L431 L434	T416-D420 WeakPolarHBondContact O-CB 3.32Å; T416-D420 VanDerWaalsContact O-CG 3.26Å; T416-D420 PolarHBondContact O-N 2.98Å; L417-D420 PolarHBondContact O-N 3.15Å; D420-R422 PolarHBondContact O-N 3.24Å; D420-S423 WeakPolarHBondContact O-CB 3.43Å; D420-S423 PolarHBondContact O-N 3.2Å; D420-R430 WeakPolarHBondContact OD2-CD 3.3Å; D420-R430 IonicContact OD2-CZ 2.65Å; D420-R430 IonicContact OD2-NE 3.9Å; D420-R430 PolarHBondContact OD2-NE 3.29Å; D420-R430 IonicContact OD2-NH2 2.89Å; D420-L431 HydrophobicContact CB-CD2 3.74Å; D420-L434 VanDerWaalsContact OD2-CD1 3.26Å; D420-L434 WeakPolarHBondContact OD2-CD1 3.47Å
421	C	92.6	Very high	93.6	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.047	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.2	173.1	-72.5	0	0	0	0	114.2	L417 Q419 T464 A472	L417-C421 PolarHBondContact O-N 3.26Å; L417-C421 PolarHBondContact O-SG 3.33Å; Q419-C421 VanDerWaalsContact C-N 3.27Å; Q419-C421 PolarHBondContact O-N 3Å; C421-T464 HydrophobicContact CB-CG2 4Å; C421-A472 HydrophobicContact CB-CB 3.88Å
422	R	90.4	Very high	93.4	Very high	146 Å²	146	62.5 Å²	62.5	55%	0.551	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-2.9	179.4	-67.5	171.3	-179.7	-179.3	-1.7	112.9	L418 Q419 D420 E463	L418-R422 WeakPolarHBondContact O-CG 3.44Å; L418-R422 PolarHBondContact O-N 3.26Å; Q419-R422 PolarHBondContact O-N 2.89Å; D420-R422 PolarHBondContact O-N 3.24Å; R422-E463 IonicContact NH2-OE2 3.61Å
423	S	90.9	Very high	93.4	Very high	47 Å²	47	63.5 Å²	63.5	33%	0.329	32%	0.323	S	S	.	.			trans	-65.8	144.9	178.6	-177.3	0	0	0	0	111.5	Q419 D420 S425	Q419-S423 PolarHBondContact O-N 3.02Å; D420-S423 WeakPolarHBondContact O-CB 3.43Å; D420-S423 PolarHBondContact O-N 3.2Å; S423-S425 VanDerWaalsContact C-N 3.28Å; S423-S425 PolarHBondContact O-N 2.93Å; S423-S425 PolarHBondContact OG-N 2.93Å; S423-S425 PolarHBondContact OG-O 3.33Å
424	E	86.4	Confident	93.4	Very high	204 Å²	204	63.5 Å²	63.5	95%	0.953	32%	0.323	S	S	*	.	S	Bend	trans	-64.9	-34.2	173.3	-65.3	-176.8	176.6	0	0	112
425	S	89.9	Confident	93.3	Very high	101 Å²	101	64.1 Å²	64.1	71%	0.706	33%	0.326	S	S	*	.	S	Bend	trans	-117.7	102.8	175.8	62.1	0	0	0	0	109.7	S423	S423-S425 VanDerWaalsContact C-N 3.28Å; S423-S425 PolarHBondContact O-N 2.93Å; S423-S425 PolarHBondContact OG-N 2.93Å; S423-S425 PolarHBondContact OG-O 3.33Å
426	I	89.3	Confident	93.3	Very high	37 Å²	37	61.9 Å²	61.9	19%	0.19	31%	0.313	C	S	.	.			trans	-85.8	123.2	-178.3	-59.2	-172.2	0	0	0	110.3	E428 L431 I469 P471 A472	I426-E428 PolarHBondContact O-N 2.85Å; I426-L431 HydrophobicContact CG2-CD1 3.25Å; I426-L431 HydrophobicContact CG2-CG 4.02Å; I426-I469 HydrophobicContact CD1-CB 4.41Å; I426-I469 HydrophobicContact CD1-CD1 4.43Å; I426-I469 HydrophobicContact CD1-CG2 3.6Å; I426-P471 HydrophobicContact CG2-CB 3.98Å; I426-A472 HydrophobicContact CD1-CB 4.05Å
427	D	92.5	Very high	93.3	Very high	87 Å²	87	60.6 Å²	60.6	47%	0.465	31%	0.305	S	S	.	.			trans	-84.8	99.5	168.2	-179.2	-9.3	0	0	0	109.7	S429 R430 L431	D427-S429 VanDerWaalsContact C-N 3.25Å; D427-S429 PolarHBondContact O-N 3.46Å; D427-S429 WeakPolarHBondContact OD1-CB 3.38Å; D427-S429 PolarHBondContact OD1-N 3.4Å; D427-S429 PolarHBondContact OD1-OG 3.21Å; D427-R430 HydrophobicContact CB-CB 3.89Å; D427-R430 PolarHBondContact O-N 3.28Å; D427-R430 PolarHBondContact OD1-N 2.65Å; D427-R430 VanDerWaalsContact OD1-N 3.16Å; D427-R430 WeakPolarHBondContact OD2-CB 3.27Å; D427-L431 PolarHBondContact O-N 2.98Å
428	E	92.7	Very high	93.4	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-33.5	-179.3	-63.9	-169.6	-164.7	0	0	113	I426 L431 Q432 P471	I426-E428 PolarHBondContact O-N 2.85Å; E428-L431 PolarHBondContact O-N 3.25Å; E428-Q432 VanDerWaalsContact O-CG 3.27Å; E428-Q432 WeakPolarHBondContact O-CG 3.34Å; E428-Q432 PolarHBondContact O-N 3.15Å; E428-P471 HydrophobicContact CG-CB 4.09Å; E428-P471 HydrophobicContact CG-CG 3.71Å; E428-P471 WeakPolarHBondContact OE1-CG 3.47Å
429	S	92.9	Very high	93.5	Very high	70 Å²	70	61.3 Å²	61.3	49%	0.49	31%	0.312	S	S	.	.	H	α-helix	trans	-69.3	-41.2	-179.1	74.4	0	0	0	0	111.1	D427 Q432 I433	D427-S429 VanDerWaalsContact C-N 3.25Å; D427-S429 PolarHBondContact O-N 3.46Å; D427-S429 WeakPolarHBondContact OD1-CB 3.38Å; D427-S429 PolarHBondContact OD1-N 3.4Å; D427-S429 PolarHBondContact OD1-OG 3.21Å; S429-Q432 PolarHBondContact O-N 2.92Å; S429-I433 WeakPolarHBondContact O-CG1 3.15Å; S429-I433 PolarHBondContact O-N 3.35Å
430	R	94.4	Very high	93.6	Very high	73 Å²	73	55 Å²	55	28%	0.275	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-45.8	174.1	-179.4	-177.9	173.3	90.8	5.8	111.5	L385 D420 D427 Q432 I433 L434	L385-R430 HydrophobicContact CD2-CG 4.31Å; D420-R430 WeakPolarHBondContact OD2-CD 3.3Å; D420-R430 IonicContact OD2-CZ 2.65Å; D420-R430 IonicContact OD2-NE 3.9Å; D420-R430 PolarHBondContact OD2-NE 3.29Å; D420-R430 IonicContact OD2-NH2 2.89Å; D427-R430 HydrophobicContact CB-CB 3.89Å; D427-R430 PolarHBondContact O-N 3.28Å; D427-R430 PolarHBondContact OD1-N 2.65Å; D427-R430 VanDerWaalsContact OD1-N 3.16Å; D427-R430 WeakPolarHBondContact OD2-CB 3.27Å; R430-Q432 VanDerWaalsContact C-N 3.33Å; R430-Q432 PolarHBondContact O-N 3.49Å; R430-I433 PolarHBondContact O-N 2.96Å; R430-L434 HydrophobicContact CG-CD1 4.15Å; R430-L434 WeakPolarHBondContact O-CG 3.35Å; R430-L434 PolarHBondContact O-N 2.97Å
431	L	94.2	Very high	93.7	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-43	176.6	-78.1	-174	0	0	0	112.2	D420 I426 D427 E428 I433 L434 D435 P471	D420-L431 HydrophobicContact CB-CD2 3.74Å; I426-L431 HydrophobicContact CG2-CD1 3.25Å; I426-L431 HydrophobicContact CG2-CG 4.02Å; D427-L431 PolarHBondContact O-N 2.98Å; E428-L431 PolarHBondContact O-N 3.25Å; L431-I433 VanDerWaalsContact C-N 3.28Å; L431-I433 PolarHBondContact O-N 2.93Å; L431-L434 HydrophobicContact CD2-CD1 4.3Å; L431-L434 PolarHBondContact O-N 2.89Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L431-D435 WeakPolarHBondContact O-CB 3.48Å; L431-D435 PolarHBondContact O-N 3.39Å; L431-P471 HydrophobicContact CD1-CB 4.14Å
432	Q	94	Very high	93.8	Very high	106 Å²	106	53.3 Å²	53.3	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-37.5	177.4	-73.8	172.8	22.4	0	0	112.8	E428 S429 R430 K436	E428-Q432 VanDerWaalsContact O-CG 3.27Å; E428-Q432 WeakPolarHBondContact O-CG 3.34Å; E428-Q432 PolarHBondContact O-N 3.15Å; S429-Q432 PolarHBondContact O-N 2.92Å; R430-Q432 VanDerWaalsContact C-N 3.33Å; R430-Q432 PolarHBondContact O-N 3.49Å; Q432-K436 VanDerWaalsContact O-CB 3.28Å; Q432-K436 WeakPolarHBondContact O-CB 3.44Å; Q432-K436 PolarHBondContact O-N 3.2Å
433	I	95.8	Very high	93.9	Very high	66 Å²	66	49.9 Å²	49.9	34%	0.338	26%	0.263	S	S	.	.	H	α-helix	trans	-68.2	-43.1	176.2	-62	168.2	0	0	0	110.3	L385 L392 I396 S429 R430 L431 K436 A437	L385-I433 HydrophobicContact CD2-CB 4.27Å; L385-I433 HydrophobicContact CD2-CD1 4.43Å; L385-I433 HydrophobicContact CD2-CG2 3.94Å; L392-I433 HydrophobicContact CB-CG2 3.81Å; L392-I433 HydrophobicContact CD1-CG2 3.92Å; I396-I433 HydrophobicContact CD1-CG2 3.75Å; S429-I433 WeakPolarHBondContact O-CG1 3.15Å; S429-I433 PolarHBondContact O-N 3.35Å; R430-I433 PolarHBondContact O-N 2.96Å; L431-I433 VanDerWaalsContact C-N 3.28Å; L431-I433 PolarHBondContact O-N 2.93Å; I433-K436 PolarHBondContact O-N 3.37Å; I433-A437 WeakPolarHBondContact O-CB 3.44Å; I433-A437 PolarHBondContact O-N 2.79Å
434	L	97.2	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-47.4	177.7	-67.5	167.6	0	0	0	111.7	I387 L392 L413 T416 L417 D420 R430 L431 K436 A437 L438	I387-L434 HydrophobicContact CG1-CD2 4.12Å; L392-L434 HydrophobicContact CD1-CD2 3.69Å; L392-L434 HydrophobicContact CD1-CG 4.47Å; L413-L434 HydrophobicContact CD1-CD2 3.57Å; T416-L434 HydrophobicContact CG2-CD1 4.3Å; T416-L434 HydrophobicContact CG2-CD2 4.3Å; L417-L434 HydrophobicContact CB-CB 4.46Å; L417-L434 HydrophobicContact CB-CD1 4.49Å; L417-L434 HydrophobicContact CD1-CB 4.1Å; L417-L434 HydrophobicContact CG-CB 4.31Å; D420-L434 VanDerWaalsContact OD2-CD1 3.26Å; D420-L434 WeakPolarHBondContact OD2-CD1 3.47Å; R430-L434 HydrophobicContact CG-CD1 4.15Å; R430-L434 WeakPolarHBondContact O-CG 3.35Å; R430-L434 PolarHBondContact O-N 2.97Å; L431-L434 HydrophobicContact CD2-CD1 4.3Å; L431-L434 PolarHBondContact O-N 2.89Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L434-K436 VanDerWaalsContact C-N 3.33Å; L434-K436 PolarHBondContact O-N 2.82Å; L434-A437 PolarHBondContact O-N 3.35Å; L434-L438 WeakPolarHBondContact O-CB 3.34Å; L434-L438 PolarHBondContact O-N 2.93Å
435	D	95.6	Very high	94.2	Very high	14 Å²	14	42.8 Å²	42.8	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-45.5	176.9	-74.5	-34.5	0	0	0	111.1	L417 L431 L438 A439 S475 L478	L417-D435 WeakPolarHBondContact CD1-OD1 3.2Å; L431-D435 WeakPolarHBondContact O-CB 3.48Å; L431-D435 PolarHBondContact O-N 3.39Å; D435-L438 PolarHBondContact O-N 3.49Å; D435-A439 WeakPolarHBondContact O-CB 3.25Å; D435-A439 PolarHBondContact O-N 3.47Å; D435-S475 WeakPolarHBondContact OD1-CA 3.08Å; D435-S475 WeakPolarHBondContact OD1-CB 3.47Å; D435-S475 PolarHBondContact OD1-OG 2.82Å; D435-S475 WeakPolarHBondContact OD2-CB 3.24Å; D435-S475 PolarHBondContact OD2-OG 3.48Å; D435-L478 HydrophobicContact CB-CD1 4Å
436	K	96	Very high	94.2	Very high	28 Å²	28	42.3 Å²	42.3	12%	0.122	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-47.8	176.9	-179.6	158.4	-165.3	-172.2	0	111.8	I396 Q432 I433 L434 L438 A439 L440 L613	I396-K436 HydrophobicContact CD1-CB 4.16Å; I396-K436 HydrophobicContact CD1-CD 4.26Å; I396-K436 HydrophobicContact CD1-CG 3.94Å; I396-K436 HydrophobicContact CG1-CG 4.05Å; I396-K436 HydrophobicContact CG2-CD 3.73Å; I396-K436 VanDerWaalsContact CG2-CE 3.45Å; I396-K436 HydrophobicContact CG2-CG 3.99Å; Q432-K436 VanDerWaalsContact O-CB 3.28Å; Q432-K436 WeakPolarHBondContact O-CB 3.44Å; Q432-K436 PolarHBondContact O-N 3.2Å; I433-K436 PolarHBondContact O-N 3.37Å; L434-K436 VanDerWaalsContact C-N 3.33Å; L434-K436 PolarHBondContact O-N 2.82Å; K436-L438 VanDerWaalsContact C-N 3.33Å; K436-L438 PolarHBondContact O-N 3.06Å; K436-A439 PolarHBondContact O-N 3.35Å; K436-L440 HydrophobicContact CG-CD1 3.96Å; K436-L440 WeakPolarHBondContact O-CB 3.31Å; K436-L440 VanDerWaalsContact O-CG 3.23Å; K436-L440 WeakPolarHBondContact O-CG 3.44Å; K436-L440 PolarHBondContact O-N 2.89Å; K436-L613 HydrophobicContact CB-CD1 3.77Å; K436-L613 HydrophobicContact CB-CD2 3.91Å; K436-L613 HydrophobicContact CB-CG 4.43Å; K436-L613 HydrophobicContact CD-CB 4.22Å; K436-L613 HydrophobicContact CD-CD1 3.76Å; K436-L613 HydrophobicContact CD-CD2 4.34Å; K436-L613 HydrophobicContact CD-CG 4.33Å; K436-L613 HydrophobicContact CG-CD1 3.51Å; K436-L613 HydrophobicContact CG-CD2 4.41Å; K436-L613 HydrophobicContact CG-CG 4.45Å
437	A	97.6	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-43.7	178.1	0	0	0	0	0	111.4	L392 F395 I396 L413 I433 L434 L440 L441	L392-A437 HydrophobicContact CD1-CB 4.36Å; L392-A437 HydrophobicContact CD2-CB 3.94Å; F395-A437 HydrophobicContact CD1-CB 4.33Å; F395-A437 WeakPolarHBondContact CE1-O 3.13Å; I396-A437 HydrophobicContact CD1-CB 4.37Å; I396-A437 HydrophobicContact CG1-CB 4.32Å; L413-A437 HydrophobicContact CD1-CB 4.39Å; L413-A437 HydrophobicContact CD2-CB 4.11Å; I433-A437 WeakPolarHBondContact O-CB 3.44Å; I433-A437 PolarHBondContact O-N 2.79Å; L434-A437 PolarHBondContact O-N 3.35Å; A437-L440 PolarHBondContact O-N 3.39Å; A437-L441 WeakPolarHBondContact O-CB 3.4Å; A437-L441 PolarHBondContact O-N 2.9Å
438	L	97.1	Very high	94.4	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-43.6	-179.3	-179.7	62.9	0	0	0	111.9	L410 L413 L414 L417 L434 D435 K436 L440 L441 L442 I479	L410-L438 HydrophobicContact CD1-CD1 3.57Å; L413-L438 HydrophobicContact CD2-CB 3.72Å; L413-L438 HydrophobicContact CD2-CD1 4.07Å; L413-L438 HydrophobicContact CD2-CG 4.49Å; L413-L438 HydrophobicContact CG-CB 4.39Å; L414-L438 HydrophobicContact CD2-CD1 4.21Å; L414-L438 HydrophobicContact CD2-CD2 3.68Å; L414-L438 HydrophobicContact CG-CD1 4.32Å; L417-L438 HydrophobicContact CD1-CD2 3.97Å; L434-L438 WeakPolarHBondContact O-CB 3.34Å; L434-L438 PolarHBondContact O-N 2.93Å; D435-L438 PolarHBondContact O-N 3.49Å; K436-L438 VanDerWaalsContact C-N 3.33Å; K436-L438 PolarHBondContact O-N 3.06Å; L438-L440 VanDerWaalsContact C-N 3.34Å; L438-L440 PolarHBondContact O-N 3.24Å; L438-L441 PolarHBondContact O-N 3.44Å; L438-L442 HydrophobicContact CD1-CD1 4.06Å; L438-L442 HydrophobicContact CD1-CG 4.15Å; L438-L442 HydrophobicContact CG-CD1 4.17Å; L438-L442 WeakPolarHBondContact O-CG 3.32Å; L438-L442 PolarHBondContact O-N 2.93Å; L438-I479 HydrophobicContact CD2-CD1 4.27Å; L438-I479 HydrophobicContact CD2-CG1 3.62Å; L438-I479 HydrophobicContact CD2-CG2 4.47Å
439	A	95.7	Very high	94.5	Very high	22 Å²	22	35.8 Å²	35.8	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-43.3	177	0	0	0	0	0	111.7	D435 K436 H443 Q482	D435-A439 WeakPolarHBondContact O-CB 3.25Å; D435-A439 PolarHBondContact O-N 3.47Å; K436-A439 PolarHBondContact O-N 3.35Å; A439-H443 WeakPolarHBondContact O-CB 3.32Å; A439-H443 PolarHBondContact O-N 2.94Å; A439-Q482 HydrophobicContact CB-CG 4.26Å
440	L	96.3	Very high	94.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-42.9	175.9	-69.7	172.7	0	0	0	111.9	F395 I396 P399 K436 A437 L438 H443 C444 M610	F395-L440 HydrophobicContact CE1-CB 4.13Å; I396-L440 HydrophobicContact CB-CD1 4.19Å; I396-L440 HydrophobicContact CG1-CD1 4.04Å; I396-L440 HydrophobicContact CG2-CD1 4.05Å; P399-L440 HydrophobicContact CB-CB 4.02Å; P399-L440 HydrophobicContact CB-CD1 4.2Å; P399-L440 HydrophobicContact CB-CD2 4.05Å; P399-L440 HydrophobicContact CB-CG 4.31Å; P399-L440 HydrophobicContact CG-CD2 4.23Å; K436-L440 HydrophobicContact CG-CD1 3.96Å; K436-L440 WeakPolarHBondContact O-CB 3.31Å; K436-L440 VanDerWaalsContact O-CG 3.23Å; K436-L440 WeakPolarHBondContact O-CG 3.44Å; K436-L440 PolarHBondContact O-N 2.89Å; A437-L440 PolarHBondContact O-N 3.39Å; L438-L440 VanDerWaalsContact C-N 3.34Å; L438-L440 PolarHBondContact O-N 3.24Å; L440-H443 PolarHBondContact O-N 3.13Å; L440-C444 WeakPolarHBondContact O-CB 3.4Å; L440-C444 PolarHBondContact O-N 3.34Å; L440-C444 PolarHBondContact O-SG 2.73Å; L440-M610 HydrophobicContact CD2-CE 3.43Å; L440-M610 VanDerWaalsContact CD2-CE 3.43Å; L440-M610 HydrophobicContact CD2-CG 3.96Å; L440-M610 HydrophobicContact CD2-SD 3.34Å; L440-M610 WeakPolarHBondContact CD2-SD 3.24Å
441	L	96.5	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-51.1	178	178	62.7	0	0	0	111.9	F395 L403 P406 F409 L410 L413 A437 L438 H443 C444 H445 L448	F395-L441 HydrophobicContact CE1-CB 4.21Å; F395-L441 HydrophobicContact CZ-CB 4.15Å; F395-L441 HydrophobicContact CZ-CD1 4.28Å; L403-L441 HydrophobicContact CD1-CD1 3.94Å; P406-L441 HydrophobicContact CB-CD1 4.44Å; F409-L441 HydrophobicContact CD1-CD1 3.94Å; F409-L441 HydrophobicContact CD1-CD2 3.66Å; F409-L441 HydrophobicContact CD1-CG 4.34Å; F409-L441 HydrophobicContact CE1-CD1 4.36Å; F409-L441 HydrophobicContact CE1-CD2 4.06Å; F409-L441 HydrophobicContact CG-CD2 4.35Å; L410-L441 HydrophobicContact CB-CD2 3.9Å; L410-L441 HydrophobicContact CD1-CD2 4.09Å; L413-L441 HydrophobicContact CD2-CD2 4.43Å; A437-L441 WeakPolarHBondContact O-CB 3.4Å; A437-L441 PolarHBondContact O-N 2.9Å; L438-L441 PolarHBondContact O-N 3.44Å; L441-H443 VanDerWaalsContact C-N 3.32Å; L441-H443 PolarHBondContact O-N 2.78Å; L441-C444 PolarHBondContact O-N 2.82Å; L441-H445 PolarHBondContact O-N 2.98Å; L441-H445 PolarHBondContact O-ND1 3.5Å; L441-L448 HydrophobicContact CD1-CD1 3.98Å; L441-L448 HydrophobicContact CD2-CD1 4.42Å; L441-L448 HydrophobicContact CG-CD1 4.02Å
442	L	94.9	Very high	94.7	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-30.4	180	-67.4	177	0	0	0	112.4	L410 L438 H445 P446 L448 V452 Q482 I483	L410-L442 HydrophobicContact CD1-CD2 3.83Å; L410-L442 HydrophobicContact CD1-CG 4.44Å; L438-L442 HydrophobicContact CD1-CD1 4.06Å; L438-L442 HydrophobicContact CD1-CG 4.15Å; L438-L442 HydrophobicContact CG-CD1 4.17Å; L438-L442 WeakPolarHBondContact O-CG 3.32Å; L438-L442 PolarHBondContact O-N 2.93Å; L442-H445 CarbonylContact O-C 3.51Å; L442-P446 WeakPolarHBondContact O-CA 3.05Å; L442-L448 HydrophobicContact CD2-CB 3.95Å; L442-V452 HydrophobicContact CD2-CG2 4.49Å; L442-Q482 HydrophobicContact CB-CB 4.46Å; L442-Q482 HydrophobicContact CD1-CB 3.8Å; L442-I483 HydrophobicContact CD1-CG2 3.68Å
443	H	92.2	Very high	94.7	Very high	74 Å²	74	27.9 Å²	27.9	34%	0.343	17%	0.171	S	C	.	.	H	α-helix	trans	-67.8	-46.8	173.6	179	80.2	0	0	0	111.8	A439 L440 L441 H445 Q609	A439-H443 WeakPolarHBondContact O-CB 3.32Å; A439-H443 PolarHBondContact O-N 2.94Å; L440-H443 PolarHBondContact O-N 3.13Å; L441-H443 VanDerWaalsContact C-N 3.32Å; L441-H443 PolarHBondContact O-N 2.78Å; H443-H445 VanDerWaalsContact C-N 3.35Å; H443-Q609 PolarHBondContact CE1-OE1 3.37Å; H443-Q609 VanDerWaalsContact CE1-OE1 3.26Å; H443-Q609 PolarHBondContact ND1-OE1 3.27Å
444	C	91.9	Very high	94.6	Very high	46 Å²	46	29.1 Å²	29.1	31%	0.311	18%	0.182	S	C	.	.	H	α-helix	trans	-73.5	-26.2	179.4	-69.4	0	0	0	0	112.9	P399 L440 L441	P399-C444 PolarHBondContact O-SG 3.1Å; P399-C444 VanDerWaalsContact O-SG 3.34Å; L440-C444 WeakPolarHBondContact O-CB 3.4Å; L440-C444 PolarHBondContact O-N 3.34Å; L440-C444 PolarHBondContact O-SG 2.73Å; L441-C444 PolarHBondContact O-N 2.82Å
445	H	91.6	Very high	94.4	Very high	56 Å²	56	33 Å²	33	26%	0.259	20%	0.2	S	C	.	.			trans	-129.8	72.6	178.4	-55	92.5	0	0	0	111.8	L441 L442 H443 G447 L448	L441-H445 PolarHBondContact O-N 2.98Å; L441-H445 PolarHBondContact O-ND1 3.5Å; L442-H445 CarbonylContact O-C 3.51Å; H443-H445 VanDerWaalsContact C-N 3.35Å; H445-G447 PolarHBondContact O-N 2.71Å; H445-G447 VanDerWaalsContact O-N 3.08Å; H445-L448 HydrophobicContact CB-CD1 3.6Å; H445-L448 HydrophobicContact CB-CG 3.78Å; H445-L448 VanDerWaalsContact O-CB 3.29Å; H445-L448 WeakPolarHBondContact O-CB 3.34Å; H445-L448 PolarHBondContact O-N 3.48Å
446	P	90.9	Very high	94.4	Very high	90 Å²	90	34 Å²	34	58%	0.584	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-58.1	-28.3	-175.4	-26.3	35.5	0	0	0	114.6	L442 L448 C449	L442-P446 WeakPolarHBondContact O-CA 3.05Å; P446-L448 PolarHBondContact O-N 2.65Å; P446-L448 VanDerWaalsContact O-N 3.15Å; P446-C449 WeakPolarHBondContact O-CB 3.15Å; P446-C449 PolarHBondContact O-N 3.04Å; P446-C449 VanDerWaalsContact O-N 3.13Å
447	G	90.6	Very high	94.4	Very high	64 Å²	64	33.7 Å²	33.7	66%	0.66	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-63.7	-14.5	175.9	0	0	0	0	0	114.3	H445 C449	H445-G447 PolarHBondContact O-N 2.71Å; H445-G447 VanDerWaalsContact O-N 3.08Å; G447-C449 VanDerWaalsContact C-N 3.31Å
448	L	94.9	Very high	94.3	Very high	20 Å²	20	33.8 Å²	33.8	11%	0.105	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-75.3	-17	174.6	-67.9	-177.5	0	0	0	113.5	P406 K407 L410 L441 L442 H445 P446 D450 A451 V452	P406-L448 HydrophobicContact CB-CD1 4.11Å; K407-L448 HydrophobicContact CB-CD2 4.12Å; L410-L448 HydrophobicContact CD2-CB 4.07Å; L441-L448 HydrophobicContact CD1-CD1 3.98Å; L441-L448 HydrophobicContact CD2-CD1 4.42Å; L441-L448 HydrophobicContact CG-CD1 4.02Å; L442-L448 HydrophobicContact CD2-CB 3.95Å; H445-L448 HydrophobicContact CB-CD1 3.6Å; H445-L448 HydrophobicContact CB-CG 3.78Å; H445-L448 VanDerWaalsContact O-CB 3.29Å; H445-L448 WeakPolarHBondContact O-CB 3.34Å; H445-L448 PolarHBondContact O-N 3.48Å; P446-L448 PolarHBondContact O-N 2.65Å; P446-L448 VanDerWaalsContact O-N 3.15Å; L448-D450 PolarHBondContact O-N 2.78Å; L448-A451 WeakPolarHBondContact O-CA 3.42Å; L448-A451 WeakPolarHBondContact O-CB 3.41Å; L448-A451 PolarHBondContact O-N 3.11Å; L448-V452 PolarHBondContact O-N 3.44Å
449	C	95	Very high	94.2	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-41.3	176.5	-68.7	0	0	0	0	111.1	P446 G447 A451 V452 C489	P446-C449 WeakPolarHBondContact O-CB 3.15Å; P446-C449 PolarHBondContact O-N 3.04Å; P446-C449 VanDerWaalsContact O-N 3.13Å; G447-C449 VanDerWaalsContact C-N 3.31Å; C449-A451 PolarHBondContact O-N 3.5Å; C449-V452 VanDerWaalsContact O-CB 3.29Å; C449-V452 WeakPolarHBondContact O-CB 3.35Å; C449-V452 PolarHBondContact O-N 3.37Å; C449-C489 PolarHBondContact O-SG 3.32Å
450	D	94.7	Very high	94.1	Very high	72 Å²	72	39.8 Å²	39.8	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-29.3	176.8	-67.3	-6.5	0	0	0	112.4	L448 V452 A453 T454 S486	L448-D450 PolarHBondContact O-N 2.78Å; D450-V452 VanDerWaalsContact C-N 3.29Å; D450-V452 PolarHBondContact O-N 3.49Å; D450-A453 PolarHBondContact O-N 3.34Å; D450-T454 WeakPolarHBondContact O-CG2 3.18Å; D450-T454 PolarHBondContact O-N 3.33Å; D450-T454 PolarHBondContact O-OG1 3.39Å; D450-S486 WeakPolarHBondContact OD1-CB 3.49Å; D450-S486 PolarHBondContact OD1-OG 3.38Å
451	A	95.1	Very high	94.1	Very high	9 Å²	9	39.6 Å²	39.6	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-35.5	174.3	0	0	0	0	0	111.6	K407 L410 L448 C449 A453 T454 H455	K407-A451 HydrophobicContact CG-CB 4.46Å; L410-A451 HydrophobicContact CD2-CB 3.84Å; L448-A451 WeakPolarHBondContact O-CA 3.42Å; L448-A451 WeakPolarHBondContact O-CB 3.41Å; L448-A451 PolarHBondContact O-N 3.11Å; C449-A451 PolarHBondContact O-N 3.5Å; A451-A453 VanDerWaalsContact C-N 3.29Å; A451-A453 PolarHBondContact O-N 3.14Å; A451-T454 VanDerWaalsContact CA-OG1 3.28Å; A451-T454 WeakPolarHBondContact CA-OG1 3.46Å; A451-T454 PolarHBondContact O-N 3.26Å; A451-T454 PolarHBondContact O-OG1 3.17Å; A451-H455 WeakPolarHBondContact O-CB 3.06Å; A451-H455 PolarHBondContact O-CD2 2.92Å; A451-H455 PolarHBondContact O-N 3.49Å
452	V	95.8	Very high	94	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-43.4	177.9	-174.9	0	0	0	0	110.8	L410 L414 L442 L448 C449 D450 Y457 I458 I461 I483	L410-V452 HydrophobicContact CD1-CG2 4.29Å; L410-V452 HydrophobicContact CD2-CG2 4.05Å; L414-V452 HydrophobicContact CD1-CG1 4.15Å; L414-V452 HydrophobicContact CD1-CG2 4.06Å; L442-V452 HydrophobicContact CD2-CG2 4.49Å; L448-V452 PolarHBondContact O-N 3.44Å; C449-V452 VanDerWaalsContact O-CB 3.29Å; C449-V452 WeakPolarHBondContact O-CB 3.35Å; C449-V452 PolarHBondContact O-N 3.37Å; D450-V452 VanDerWaalsContact C-N 3.29Å; D450-V452 PolarHBondContact O-N 3.49Å; V452-Y457 HydrophobicContact CG1-CD2 4.42Å; V452-Y457 PolarHBondContact O-N 3.27Å; V452-I458 HydrophobicContact CG1-CD1 3.99Å; V452-I461 HydrophobicContact CG1-CD1 3.97Å; V452-I483 HydrophobicContact CB-CG2 4.4Å; V452-I483 HydrophobicContact CG1-CD1 4.05Å; V452-I483 HydrophobicContact CG1-CG2 4.39Å; V452-I483 HydrophobicContact CG2-CG2 4.01Å
453	A	93.1	Very high	93.9	Very high	5 Å²	5	44.8 Å²	44.8	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-82.3	-32.2	-177.8	0	0	0	0	0	114.1	D450 A451 H455 G456 I458 L488 C489 K492	D450-A453 PolarHBondContact O-N 3.34Å; A451-A453 VanDerWaalsContact C-N 3.29Å; A451-A453 PolarHBondContact O-N 3.14Å; A453-H455 VanDerWaalsContact C-N 3.35Å; A453-G456 PolarHBondContact O-N 3.28Å; A453-I458 HydrophobicContact CB-CD1 4.21Å; A453-I458 HydrophobicContact CB-CG1 3.78Å; A453-L488 HydrophobicContact CB-CD2 3.26Å; A453-C489 HydrophobicContact CB-CB 4.37Å; A453-K492 HydrophobicContact CB-CB 4.43Å; A453-K492 HydrophobicContact CB-CG 4.04Å
454	T	94	Very high	93.8	Very high	91 Å²	91	41.9 Å²	41.9	56%	0.558	25%	0.253	S	S	*	.	H	α-helix	trans	-70.1	-30.4	173.7	50.5	0	0	0	0	112.9	D450 A451 G456 L488	D450-T454 WeakPolarHBondContact O-CG2 3.18Å; D450-T454 PolarHBondContact O-N 3.33Å; D450-T454 PolarHBondContact O-OG1 3.39Å; A451-T454 VanDerWaalsContact CA-OG1 3.28Å; A451-T454 WeakPolarHBondContact CA-OG1 3.46Å; A451-T454 PolarHBondContact O-N 3.26Å; A451-T454 PolarHBondContact O-OG1 3.17Å; T454-G456 VanDerWaalsContact C-N 3.31Å; T454-L488 HydrophobicContact CG2-CD1 4.41Å; T454-L488 HydrophobicContact CG2-CD2 4.17Å
455	H	93.9	Very high	93.9	Very high	82 Å²	82	40.1 Å²	40.1	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.5	175.5	-79.1	-89.1	0	0	0	114.4	K407 A451 A453 Y457	K407-H455 WeakPolarHBondContact CE-NE2 3.46Å; K407-H455 PolarHBondContact NZ-NE2 3.33Å; K407-H455 VanDerWaalsContact NZ-NE2 3.13Å; A451-H455 WeakPolarHBondContact O-CB 3.06Å; A451-H455 PolarHBondContact O-CD2 2.92Å; A451-H455 PolarHBondContact O-N 3.49Å; A453-H455 VanDerWaalsContact C-N 3.35Å; H455-Y457 HydrophobicContact CB-CD2 3.68Å; H455-Y457 HydrophobicContact CB-CE2 3.39Å
456	G	94.3	Very high	93.8	Very high	36 Å²	36	41.1 Å²	41.1	37%	0.371	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	19.4	172.4	0	0	0	0	0	115.4	A453 T454 P459	A453-G456 PolarHBondContact O-N 3.28Å; T454-G456 VanDerWaalsContact C-N 3.31Å; G456-P459 WeakPolarHBondContact O-CD 3.47Å
457	Y	96.1	Very high	93.5	Very high	21 Å²	21	38.3 Å²	38.3	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-73.9	-24.7	179.2	-66	-70.3	0	0	0	113.8	I411 L414 N415 L418 V452 H455 H460 I461	I411-Y457 HydrophobicContact CG1-CE2 4.45Å; I411-Y457 WeakPolarHBondContact CG2-OH 3.19Å; L414-Y457 HydrophobicContact CB-CD1 4.35Å; L414-Y457 HydrophobicContact CB-CE1 4.2Å; L414-Y457 HydrophobicContact CD1-CD2 3.71Å; L414-Y457 HydrophobicContact CD1-CE2 3.93Å; L414-Y457 HydrophobicContact CD1-CG 4.05Å; N415-Y457 WeakPolarHBondContact OD1-CE1 3.16Å; N415-Y457 PolarHBondContact OD1-OH 3.12Å; L418-Y457 HydrophobicContact CD1-CD1 3.92Å; V452-Y457 HydrophobicContact CG1-CD2 4.42Å; V452-Y457 PolarHBondContact O-N 3.27Å; H455-Y457 HydrophobicContact CB-CD2 3.68Å; H455-Y457 HydrophobicContact CB-CE2 3.39Å; Y457-H460 PolarHBondContact O-N 2.88Å; Y457-H460 VanDerWaalsContact O-N 3.1Å; Y457-I461 WeakPolarHBondContact O-CG1 3.46Å; Y457-I461 PolarHBondContact O-N 3.21Å
458	I	95.7	Very high	93.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-54.8	-50.3	-172.3	-55.3	-65.8	0	0	0	113	V452 A453 H460 I461 V462 I483 C489 K492 M493	V452-I458 HydrophobicContact CG1-CD1 3.99Å; A453-I458 HydrophobicContact CB-CD1 4.21Å; A453-I458 HydrophobicContact CB-CG1 3.78Å; I458-H460 VanDerWaalsContact C-N 3.29Å; I458-H460 PolarHBondContact O-N 3.02Å; I458-I461 PolarHBondContact O-N 3.03Å; I458-V462 HydrophobicContact CG2-CG2 4.32Å; I458-V462 WeakPolarHBondContact O-CG2 3.32Å; I458-V462 PolarHBondContact O-N 3.28Å; I458-I483 HydrophobicContact CD1-CD1 3.34Å; I458-I483 HydrophobicContact CD1-CG1 4.47Å; I458-C489 HydrophobicContact CD1-CB 4.21Å; I458-K492 HydrophobicContact CB-CB 4.29Å; I458-K492 HydrophobicContact CG1-CB 4.11Å; I458-K492 HydrophobicContact CG2-CB 4.25Å; I458-M493 HydrophobicContact CD1-CE 4.27Å; I458-M493 HydrophobicContact CG2-CB 4.4Å; I458-M493 HydrophobicContact CG2-CG 3.57Å
459	P	94.6	Very high	92.7	Very high	67 Å²	67	42.9 Å²	42.9	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-38.5	178.8	-24.1	36.5	0	0	0	112.9	G456 V462 E463 T496	G456-P459 WeakPolarHBondContact O-CD 3.47Å; P459-V462 PolarHBondContact O-N 3.05Å; P459-E463 VanDerWaalsContact O-CB 3.28Å; P459-E463 WeakPolarHBondContact O-CB 3.34Å; P459-E463 PolarHBondContact O-N 2.98Å; P459-T496 HydrophobicContact CG-CG2 4.49Å
460	H	93.7	Very high	92.4	Very high	83 Å²	83	45.5 Å²	45.5	38%	0.384	27%	0.272	S	S	.	.	H	α-helix	trans	-70.5	-36.8	179.3	-63.1	-51.3	0	0	0	113	L418 Y457 I458 E463 T464	L418-H460 HydrophobicContact CD1-CB 4.34Å; Y457-H460 PolarHBondContact O-N 2.88Å; Y457-H460 VanDerWaalsContact O-N 3.1Å; I458-H460 VanDerWaalsContact C-N 3.29Å; I458-H460 PolarHBondContact O-N 3.02Å; H460-E463 IonicContact ND1-OE2 3.52Å; H460-T464 PolarHBondContact O-N 3.06Å; H460-T464 VanDerWaalsContact O-N 3.14Å; H460-T464 PolarHBondContact O-OG1 3.28Å
461	I	95.7	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-45.1	173.7	-63.5	158.2	0	0	0	109.6	L418 V452 Y457 I458 T464 L465 I479 L480 I483	L418-I461 HydrophobicContact CD1-CG1 4.44Å; L418-I461 HydrophobicContact CD2-CG1 4.09Å; V452-I461 HydrophobicContact CG1-CD1 3.97Å; Y457-I461 WeakPolarHBondContact O-CG1 3.46Å; Y457-I461 PolarHBondContact O-N 3.21Å; I458-I461 PolarHBondContact O-N 3.03Å; I461-T464 PolarHBondContact O-N 3.38Å; I461-L465 PolarHBondContact O-N 3.37Å; I461-I479 HydrophobicContact CD1-CG2 3.68Å; I461-I479 HydrophobicContact CG1-CG2 4.24Å; I461-I479 HydrophobicContact CG2-CB 4.25Å; I461-I479 HydrophobicContact CG2-CG2 4.07Å; I461-L480 HydrophobicContact CG2-CD1 4.45Å; I461-L480 HydrophobicContact CG2-CD2 3.75Å; I461-L480 HydrophobicContact CG2-CG 3.79Å; I461-I483 HydrophobicContact CD1-CD1 4.17Å
462	V	95.2	Very high	92.1	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-41.2	179	173.8	0	0	0	0	111.5	I458 P459 T464 L465 L480 C498	I458-V462 HydrophobicContact CG2-CG2 4.32Å; I458-V462 WeakPolarHBondContact O-CG2 3.32Å; I458-V462 PolarHBondContact O-N 3.28Å; P459-V462 PolarHBondContact O-N 3.05Å; V462-T464 VanDerWaalsContact C-N 3.25Å; V462-T464 PolarHBondContact O-N 2.98Å; V462-L465 VanDerWaalsContact O-CB 3.24Å; V462-L465 WeakPolarHBondContact O-CB 3.42Å; V462-L465 PolarHBondContact O-N 3.24Å; V462-L465 VanDerWaalsContact O-N 3.08Å; V462-L480 HydrophobicContact CG2-CD2 4.45Å; V462-C498 HydrophobicContact CG1-CB 4.08Å; V462-C498 HydrophobicContact CG2-CB 4Å
463	E	92.6	Very high	92	Very high	111 Å²	111	42.8 Å²	42.8	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-40	174.3	-178.2	-178	-165.5	0	0	111.5	R422 P459 H460 L465 S466	R422-E463 IonicContact NH2-OE2 3.61Å; P459-E463 VanDerWaalsContact O-CB 3.28Å; P459-E463 WeakPolarHBondContact O-CB 3.34Å; P459-E463 PolarHBondContact O-N 2.98Å; H460-E463 IonicContact ND1-OE2 3.52Å; E463-L465 PolarHBondContact O-N 2.78Å; E463-S466 WeakPolarHBondContact O-CB 3.39Å; E463-S466 PolarHBondContact O-N 3.25Å; E463-S466 PolarHBondContact O-OG 3.42Å
464	T	91.6	Very high	92.1	Very high	13 Å²	13	46 Å²	46	8%	0.08	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-21.2	179.6	-49.6	0	0	0	0	112.5	C421 H460 I461 V462 S466 S467 A472 S476	C421-T464 HydrophobicContact CB-CG2 4Å; H460-T464 PolarHBondContact O-N 3.06Å; H460-T464 VanDerWaalsContact O-N 3.14Å; H460-T464 PolarHBondContact O-OG1 3.28Å; I461-T464 PolarHBondContact O-N 3.38Å; V462-T464 VanDerWaalsContact C-N 3.25Å; V462-T464 PolarHBondContact O-N 2.98Å; T464-S466 PolarHBondContact O-N 3.05Å; T464-S467 WeakPolarHBondContact O-CB 3.45Å; T464-S467 PolarHBondContact O-N 3.2Å; T464-A472 HydrophobicContact CG2-CB 4.13Å; T464-S476 VanDerWaalsContact CB-OG 3.24Å; T464-S476 WeakPolarHBondContact CB-OG 3.41Å; T464-S476 WeakPolarHBondContact CG2-OG 3.47Å
465	L	92.8	Very high	92	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.8	170.9	-64.1	178.3	0	0	0	113.6	I461 V462 E463 S467 L473 L477 L480 H501 L502	I461-L465 PolarHBondContact O-N 3.37Å; V462-L465 VanDerWaalsContact O-CB 3.24Å; V462-L465 WeakPolarHBondContact O-CB 3.42Å; V462-L465 PolarHBondContact O-N 3.24Å; V462-L465 VanDerWaalsContact O-N 3.08Å; E463-L465 PolarHBondContact O-N 2.78Å; L465-S467 PolarHBondContact O-N 2.72Å; L465-L473 HydrophobicContact CB-CD1 4.24Å; L465-L473 HydrophobicContact CD2-CD1 3.83Å; L465-L473 WeakPolarHBondContact O-CD1 3.25Å; L465-L477 HydrophobicContact CD2-CD2 3.62Å; L465-L477 HydrophobicContact CD2-CG 3.84Å; L465-L480 HydrophobicContact CD1-CD1 3.43Å; L465-L480 VanDerWaalsContact CD1-CD1 3.43Å; L465-L480 HydrophobicContact CD2-CD1 3.94Å; L465-L480 HydrophobicContact CG-CD1 3.93Å; L465-H501 HydrophobicContact CB-CB 3.67Å; L465-H501 HydrophobicContact CD1-CB 3.74Å; L465-H501 HydrophobicContact CG-CB 4.42Å; L465-L502 HydrophobicContact CD1-CD2 4.14Å; L465-L502 HydrophobicContact CD1-CG 4.36Å
466	S	90	Very high	92.1	Very high	76 Å²	76	37.8 Å²	37.8	53%	0.531	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.2	174	73.2	0	0	0	0	113.2	E463 T464 A468	E463-S466 WeakPolarHBondContact O-CB 3.39Å; E463-S466 PolarHBondContact O-N 3.25Å; E463-S466 PolarHBondContact O-OG 3.42Å; T464-S466 PolarHBondContact O-N 3.05Å; S466-A468 PolarHBondContact O-N 3.19Å
467	S	85.4	Confident	92.1	Very high	32 Å²	32	36.1 Å²	36.1	22%	0.224	21%	0.207	C	C	.	.			trans	-62.2	132.9	-177.7	-175.3	0	0	0	0	111.9	T464 L465 I469	T464-S467 WeakPolarHBondContact O-CB 3.45Å; T464-S467 PolarHBondContact O-N 3.2Å; L465-S467 PolarHBondContact O-N 2.72Å; S467-I469 PolarHBondContact O-N 3.17Å; S467-I469 PolarHBondContact OG-N 2.8Å; S467-I469 VanDerWaalsContact OG-N 3.11Å
468	A	83.3	Confident	92	Very high	100 Å²	100	37.2 Å²	37.2	83%	0.826	21%	0.214	S	C	*	.	S	Bend	trans	-72.7	-11.1	170.2	0	0	0	0	0	112.6	S466	S466-A468 PolarHBondContact O-N 3.19Å
469	I	84.1	Confident	92	Very high	80 Å²	80	37.3 Å²	37.3	41%	0.41	21%	0.214	S	C	.	.	S	Bend	trans	-92.7	108.7	-176.8	-55.6	172	0	0	0	109	I426 S467 P471 A472 L473	I426-I469 HydrophobicContact CD1-CB 4.41Å; I426-I469 HydrophobicContact CD1-CD1 4.43Å; I426-I469 HydrophobicContact CD1-CG2 3.6Å; S467-I469 PolarHBondContact O-N 3.17Å; S467-I469 PolarHBondContact OG-N 2.8Å; S467-I469 VanDerWaalsContact OG-N 3.11Å; I469-P471 HydrophobicContact CG2-CG 4.36Å; I469-A472 PolarHBondContact O-N 3.06Å; I469-L473 PolarHBondContact O-N 3.36Å
470	N	89	Confident	92	Very high	62 Å²	62	34.1 Å²	34.1	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-53.8	-42.5	-173.7	-73	-21.1	0	0	0	114.6	A472 L473 R474 V509	N470-A472 PolarHBondContact O-N 3.42Å; N470-L473 PolarHBondContact O-N 2.82Å; N470-R474 WeakPolarHBondContact O-CB 3.36Å; N470-R474 VanDerWaalsContact O-CG 3.26Å; N470-R474 WeakPolarHBondContact O-CG 3.29Å; N470-R474 PolarHBondContact O-N 3Å; N470-V509 HydrophobicContact CB-CG1 4.49Å
471	P	91.8	Very high	92.1	Very high	19 Å²	19	30.7 Å²	30.7	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-53.4	-49.4	175	-31.4	35.6	0	0	0	114.7	I426 E428 L431 I469 L473 R474 S475	I426-P471 HydrophobicContact CG2-CB 3.98Å; E428-P471 HydrophobicContact CG-CB 4.09Å; E428-P471 HydrophobicContact CG-CG 3.71Å; E428-P471 WeakPolarHBondContact OE1-CG 3.47Å; L431-P471 HydrophobicContact CD1-CB 4.14Å; I469-P471 HydrophobicContact CG2-CG 4.36Å; P471-L473 PolarHBondContact O-N 3.38Å; P471-R474 PolarHBondContact O-N 3.46Å; P471-S475 PolarHBondContact O-N 2.9Å; P471-S475 PolarHBondContact O-OG 3.47Å
472	A	92.3	Very high	91.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-39	179.3	0	0	0	0	0	112.3	C421 I426 T464 I469 N470 S476	C421-A472 HydrophobicContact CB-CB 3.88Å; I426-A472 HydrophobicContact CD1-CB 4.05Å; T464-A472 HydrophobicContact CG2-CB 4.13Å; I469-A472 PolarHBondContact O-N 3.06Å; N470-A472 PolarHBondContact O-N 3.42Å; A472-S476 WeakPolarHBondContact O-CB 3.48Å; A472-S476 PolarHBondContact O-N 2.87Å; A472-S476 VanDerWaalsContact O-N 3.08Å; A472-S476 PolarHBondContact O-OG 3.5Å
473	L	93.7	Very high	91.9	Very high	5 Å²	5	32 Å²	32	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-46.1	172.9	173.8	59	0	0	0	111.1	L465 I469 N470 P471 S476 L477 A505 V509	L465-L473 HydrophobicContact CB-CD1 4.24Å; L465-L473 HydrophobicContact CD2-CD1 3.83Å; L465-L473 WeakPolarHBondContact O-CD1 3.25Å; I469-L473 PolarHBondContact O-N 3.36Å; N470-L473 PolarHBondContact O-N 2.82Å; P471-L473 PolarHBondContact O-N 3.38Å; L473-S476 PolarHBondContact O-N 2.95Å; L473-L477 HydrophobicContact CD1-CD1 4.17Å; L473-L477 HydrophobicContact CD1-CG 4.19Å; L473-L477 HydrophobicContact CG-CD1 4.17Å; L473-L477 VanDerWaalsContact O-CG 3.31Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.24Å; L473-A505 HydrophobicContact CD1-CB 4.34Å; L473-V509 HydrophobicContact CD2-CG1 3.75Å; L473-V509 HydrophobicContact CD2-CG2 3.93Å; L473-V509 HydrophobicContact CG-CG1 4.48Å; L473-V509 HydrophobicContact CG-CG2 4.4Å
474	R	93.8	Very high	92	Very high	72 Å²	72	26.9 Å²	26.9	27%	0.272	16%	0.161	S	C	.	.	H	α-helix	trans	-61.4	-47.9	179.1	-72.8	-179.5	-168.9	117.7	-1.2	112.1	N470 P471 S476 L477 L478 E511 M512	N470-R474 WeakPolarHBondContact O-CB 3.36Å; N470-R474 VanDerWaalsContact O-CG 3.26Å; N470-R474 WeakPolarHBondContact O-CG 3.29Å; N470-R474 PolarHBondContact O-N 3Å; P471-R474 PolarHBondContact O-N 3.46Å; R474-S476 VanDerWaalsContact C-N 3.32Å; R474-S476 PolarHBondContact O-N 2.89Å; R474-L477 PolarHBondContact O-N 2.86Å; R474-L478 WeakPolarHBondContact O-CG 3.46Å; R474-L478 PolarHBondContact O-N 3.23Å; R474-E511 IonicContact CZ-OE1 3.45Å; R474-E511 IonicContact NE-OE1 2.69Å; R474-E511 PolarHBondContact NE-OE1 2.71Å; R474-E511 IonicContact NH2-OE1 2.9Å; R474-E511 PolarHBondContact NH2-OE1 3.33Å; R474-M512 HydrophobicContact CB-CE 4.3Å; R474-M512 HydrophobicContact CG-CE 4.39Å; R474-M512 HydrophobicContact CG-CG 3.9Å; R474-M512 HydrophobicContact CG-SD 4.24Å
475	S	93.6	Very high	91.8	Very high	2 Å²	2	31 Å²	31	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-43.7	177.1	-61.3	0	0	0	0	111.4	D435 P471 L477 L478 I479	D435-S475 WeakPolarHBondContact OD1-CA 3.08Å; D435-S475 WeakPolarHBondContact OD1-CB 3.47Å; D435-S475 PolarHBondContact OD1-OG 2.82Å; D435-S475 WeakPolarHBondContact OD2-CB 3.24Å; D435-S475 PolarHBondContact OD2-OG 3.48Å; P471-S475 PolarHBondContact O-N 2.9Å; P471-S475 PolarHBondContact O-OG 3.47Å; S475-L477 PolarHBondContact O-N 3.33Å; S475-L478 PolarHBondContact O-N 3.47Å; S475-I479 VanDerWaalsContact O-CG1 3.27Å; S475-I479 WeakPolarHBondContact O-CG1 3.44Å; S475-I479 PolarHBondContact O-N 2.77Å
476	S	94.4	Very high	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-40.5	177.1	-58.1	0	0	0	0	112.9	T464 A472 L473 R474 I479 L480	T464-S476 VanDerWaalsContact CB-OG 3.24Å; T464-S476 WeakPolarHBondContact CB-OG 3.41Å; T464-S476 WeakPolarHBondContact CG2-OG 3.47Å; A472-S476 WeakPolarHBondContact O-CB 3.48Å; A472-S476 PolarHBondContact O-N 2.87Å; A472-S476 VanDerWaalsContact O-N 3.08Å; A472-S476 PolarHBondContact O-OG 3.5Å; L473-S476 PolarHBondContact O-N 2.95Å; R474-S476 VanDerWaalsContact C-N 3.32Å; R474-S476 PolarHBondContact O-N 2.89Å; S476-I479 PolarHBondContact O-N 3.36Å; S476-L480 WeakPolarHBondContact O-CG 3.08Å; S476-L480 PolarHBondContact O-N 2.89Å
477	L	95.3	Very high	92	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-41.6	174.6	-71.8	172.5	0	0	0	112.3	L465 L473 R474 S475 I479 L480 C481 L502 A505 V509 M512 V515 I516	L465-L477 HydrophobicContact CD2-CD2 3.62Å; L465-L477 HydrophobicContact CD2-CG 3.84Å; L473-L477 HydrophobicContact CD1-CD1 4.17Å; L473-L477 HydrophobicContact CD1-CG 4.19Å; L473-L477 HydrophobicContact CG-CD1 4.17Å; L473-L477 VanDerWaalsContact O-CG 3.31Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.24Å; R474-L477 PolarHBondContact O-N 2.86Å; S475-L477 PolarHBondContact O-N 3.33Å; L477-I479 VanDerWaalsContact C-N 3.35Å; L477-L480 PolarHBondContact O-N 3.07Å; L477-C481 WeakPolarHBondContact O-CB 3.45Å; L477-C481 PolarHBondContact O-N 2.64Å; L477-L502 HydrophobicContact CD2-CD2 3.58Å; L477-A505 HydrophobicContact CD1-CB 4.35Å; L477-A505 HydrophobicContact CD2-CB 4.33Å; L477-V509 HydrophobicContact CD1-CG2 3.83Å; L477-M512 HydrophobicContact CB-CE 4.39Å; L477-M512 HydrophobicContact CD1-CB 4.1Å; L477-M512 HydrophobicContact CD1-CG 4.46Å; L477-V515 HydrophobicContact CB-CG1 4.39Å; L477-I516 HydrophobicContact CD1-CD1 4Å; L477-I516 HydrophobicContact CD1-CG1 3.88Å; L477-I516 HydrophobicContact CD2-CG1 3.8Å; L477-I516 HydrophobicContact CG-CG1 4.43Å
478	L	94.6	Very high	92.3	Very high	45 Å²	45	32.9 Å²	32.9	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176.5	-70.5	173.2	0	0	0	111.5	D435 R474 S475 C481 Q482 M512 V515	D435-L478 HydrophobicContact CB-CD1 4Å; R474-L478 WeakPolarHBondContact O-CG 3.46Å; R474-L478 PolarHBondContact O-N 3.23Å; S475-L478 PolarHBondContact O-N 3.47Å; L478-C481 PolarHBondContact O-N 3.15Å; L478-Q482 WeakPolarHBondContact O-CG 3.29Å; L478-Q482 PolarHBondContact O-N 2.95Å; L478-M512 HydrophobicContact CD2-CE 3.92Å; L478-M512 HydrophobicContact CG-CE 3.92Å; L478-V515 HydrophobicContact CD2-CG1 4.4Å; L478-V515 HydrophobicContact CD2-CG2 4.24Å
479	I	94.7	Very high	92.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-52.6	175.1	-65	163.4	0	0	0	110.7	L417 L438 I461 S475 S476 L477 C481 Q482 I483	L417-I479 HydrophobicContact CD1-CD1 4.15Å; L417-I479 HydrophobicContact CD2-CD1 3.46Å; L417-I479 VanDerWaalsContact CD2-CD1 3.46Å; L417-I479 HydrophobicContact CG-CD1 4.47Å; L438-I479 HydrophobicContact CD2-CD1 4.27Å; L438-I479 HydrophobicContact CD2-CG1 3.62Å; L438-I479 HydrophobicContact CD2-CG2 4.47Å; I461-I479 HydrophobicContact CD1-CG2 3.68Å; I461-I479 HydrophobicContact CG1-CG2 4.24Å; I461-I479 HydrophobicContact CG2-CB 4.25Å; I461-I479 HydrophobicContact CG2-CG2 4.07Å; S475-I479 VanDerWaalsContact O-CG1 3.27Å; S475-I479 WeakPolarHBondContact O-CG1 3.44Å; S475-I479 PolarHBondContact O-N 2.77Å; S476-I479 PolarHBondContact O-N 3.36Å; L477-I479 VanDerWaalsContact C-N 3.35Å; I479-C481 VanDerWaalsContact C-N 3.29Å; I479-C481 PolarHBondContact O-N 3.36Å; I479-Q482 PolarHBondContact O-N 2.96Å; I479-I483 HydrophobicContact CG2-CD1 4.15Å; I479-I483 PolarHBondContact O-N 3.35Å; I479-I483 VanDerWaalsContact O-N 3.16Å
480	L	95.4	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-41.9	-177.6	-70.8	176.4	0	0	0	112	I461 V462 L465 S476 L477 Q482 I483 V484 M493 L502 T519	I461-L480 HydrophobicContact CG2-CD1 4.45Å; I461-L480 HydrophobicContact CG2-CD2 3.75Å; I461-L480 HydrophobicContact CG2-CG 3.79Å; V462-L480 HydrophobicContact CG2-CD2 4.45Å; L465-L480 HydrophobicContact CD1-CD1 3.43Å; L465-L480 VanDerWaalsContact CD1-CD1 3.43Å; L465-L480 HydrophobicContact CD2-CD1 3.94Å; L465-L480 HydrophobicContact CG-CD1 3.93Å; S476-L480 WeakPolarHBondContact O-CG 3.08Å; S476-L480 PolarHBondContact O-N 2.89Å; L477-L480 PolarHBondContact O-N 3.07Å; L480-Q482 PolarHBondContact O-N 3.1Å; L480-I483 HydrophobicContact CD2-CD1 4.15Å; L480-I483 PolarHBondContact O-N 2.68Å; L480-V484 WeakPolarHBondContact O-CB 3.35Å; L480-V484 PolarHBondContact O-N 3.32Å; L480-M493 HydrophobicContact CD2-CE 3.45Å; L480-M493 VanDerWaalsContact CD2-CE 3.45Å; L480-M493 HydrophobicContact CD2-SD 4.05Å; L480-L502 HydrophobicContact CD1-CD2 4.35Å; L480-T519 HydrophobicContact CB-CG2 4.03Å
481	C	94.5	Very high	93.6	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-26.9	177.6	-172.8	0	0	0	0	113.3	L477 L478 I479 V515 T519	L477-C481 WeakPolarHBondContact O-CB 3.45Å; L477-C481 PolarHBondContact O-N 2.64Å; L478-C481 PolarHBondContact O-N 3.15Å; I479-C481 VanDerWaalsContact C-N 3.29Å; I479-C481 PolarHBondContact O-N 3.36Å; C481-V515 HydrophobicContact CB-CG1 3.54Å; C481-T519 VanDerWaalsContact CA-OG1 3.31Å; C481-T519 WeakPolarHBondContact CA-OG1 3.4Å; C481-T519 WeakPolarHBondContact CB-OG1 3.48Å
482	Q	92.9	Very high	93.6	Very high	32 Å²	32	29.8 Å²	29.8	15%	0.15	14%	0.141	C	C	.	.	H	α-helix	trans	-83.2	-44	176.5	-60.9	-53.1	-28.2	0	0	112.5	A439 L442 L478 I479 L480	A439-Q482 HydrophobicContact CB-CG 4.26Å; L442-Q482 HydrophobicContact CB-CB 4.46Å; L442-Q482 HydrophobicContact CD1-CB 3.8Å; L478-Q482 WeakPolarHBondContact O-CG 3.29Å; L478-Q482 PolarHBondContact O-N 2.95Å; I479-Q482 PolarHBondContact O-N 2.96Å; L480-Q482 PolarHBondContact O-N 3.1Å
483	I	94.8	Very high	93.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-84.2	-18.1	-171	68.3	-180	0	0	0	113.6	L442 V452 I458 I461 I479 L480 K485 S486 C489 M493	L442-I483 HydrophobicContact CD1-CG2 3.68Å; V452-I483 HydrophobicContact CB-CG2 4.4Å; V452-I483 HydrophobicContact CG1-CD1 4.05Å; V452-I483 HydrophobicContact CG1-CG2 4.39Å; V452-I483 HydrophobicContact CG2-CG2 4.01Å; I458-I483 HydrophobicContact CD1-CD1 3.34Å; I458-I483 HydrophobicContact CD1-CG1 4.47Å; I461-I483 HydrophobicContact CD1-CD1 4.17Å; I479-I483 HydrophobicContact CG2-CD1 4.15Å; I479-I483 PolarHBondContact O-N 3.35Å; I479-I483 VanDerWaalsContact O-N 3.16Å; L480-I483 HydrophobicContact CD2-CD1 4.15Å; L480-I483 PolarHBondContact O-N 2.68Å; I483-K485 PolarHBondContact O-N 3.17Å; I483-S486 WeakPolarHBondContact O-CB 3.45Å; I483-S486 PolarHBondContact O-N 3.42Å; I483-C489 HydrophobicContact CB-CB 4.38Å; I483-C489 HydrophobicContact CG1-CB 4.46Å; I483-C489 VanDerWaalsContact O-CB 3.3Å; I483-C489 WeakPolarHBondContact O-CB 3.34Å; I483-M493 HydrophobicContact CD1-CE 3.61Å; I483-M493 HydrophobicContact CG1-CE 3.45Å; I483-M493 VanDerWaalsContact CG1-CE 3.45Å
484	V	93.5	Very high	93.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.6	177.2	72	0	0	0	0	113.4	L480 S486 V490 T519 A522 L523	L480-V484 WeakPolarHBondContact O-CB 3.35Å; L480-V484 PolarHBondContact O-N 3.32Å; V484-S486 PolarHBondContact O-N 3.05Å; V484-V490 HydrophobicContact CG2-CG2 3.92Å; V484-V490 WeakPolarHBondContact O-CG2 3.41Å; V484-T519 HydrophobicContact CB-CG2 4.42Å; V484-T519 HydrophobicContact CG1-CG2 4.48Å; V484-A522 HydrophobicContact CB-CB 4.38Å; V484-A522 HydrophobicContact CG1-CB 3.6Å; V484-A522 HydrophobicContact CG2-CB 3.9Å; V484-L523 HydrophobicContact CG2-CB 3.87Å; V484-L523 HydrophobicContact CG2-CD1 4.27Å
485	K	88.2	Confident	93.6	Very high	100 Å²	100	31.1 Å²	31.1	44%	0.435	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.7	172.8	-56.2	172.8	-163.4	161.2	0	113.1	I483	I483-K485 PolarHBondContact O-N 3.17Å
486	S	93.3	Very high	93.6	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.063	18%	0.175	C	C	.	.	S	Bend	trans	-92	123.1	176	157.5	0	0	0	0	110.2	D450 I483 V484 L488 C489 V490	D450-S486 WeakPolarHBondContact OD1-CB 3.49Å; D450-S486 PolarHBondContact OD1-OG 3.38Å; I483-S486 WeakPolarHBondContact O-CB 3.45Å; I483-S486 PolarHBondContact O-N 3.42Å; V484-S486 PolarHBondContact O-N 3.05Å; S486-L488 PolarHBondContact O-N 3.12Å; S486-L488 PolarHBondContact OG-N 2.91Å; S486-C489 WeakPolarHBondContact O-CB 3.44Å; S486-C489 PolarHBondContact O-N 3.22Å; S486-C489 VanDerWaalsContact O-N 3.11Å; S486-C489 PolarHBondContact OG-N 3.18Å; S486-C489 VanDerWaalsContact OG-N 3.1Å; S486-C489 PolarHBondContact OG-SG 3.39Å; S486-V490 WeakPolarHBondContact O-CG2 3.48Å; S486-V490 PolarHBondContact O-N 3.06Å
487	Q	92.5	Very high	93.6	Very high	84 Å²	84	38.6 Å²	38.6	39%	0.393	21%	0.205	S	C	.	.	H	α-helix	trans	-58.2	-34.9	174	-172.2	63.6	57.1	0	0	111.9	V490 N491 H526	Q487-V490 PolarHBondContact O-N 3.49Å; Q487-N491 PolarHBondContact NE2-OD1 3.23Å; Q487-N491 WeakPolarHBondContact O-CB 3.49Å; Q487-N491 PolarHBondContact O-N 3.3Å; Q487-N491 PolarHBondContact O-ND2 3.18Å; Q487-N491 PolarHBondContact O-OD1 3.44Å; Q487-H526 PolarHBondContact NE2-O 3.25Å
488	L	93.3	Very high	93.6	Very high	63 Å²	63	38.6 Å²	38.6	33%	0.33	21%	0.205	S	C	.	.	H	α-helix	trans	-68.2	-39	179	-164.6	148.3	0	0	0	110.9	A453 T454 S486 K492	A453-L488 HydrophobicContact CB-CD2 3.26Å; T454-L488 HydrophobicContact CG2-CD1 4.41Å; T454-L488 HydrophobicContact CG2-CD2 4.17Å; S486-L488 PolarHBondContact O-N 3.12Å; S486-L488 PolarHBondContact OG-N 2.91Å; L488-K492 WeakPolarHBondContact O-CG 3.46Å; L488-K492 PolarHBondContact O-N 2.84Å; L488-K492 VanDerWaalsContact O-N 3.14Å
489	C	94.9	Very high	93.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-47	171.7	-66	0	0	0	0	111.8	C449 A453 I458 I483 S486 N491 K492 M493	C449-C489 PolarHBondContact O-SG 3.32Å; A453-C489 HydrophobicContact CB-CB 4.37Å; I458-C489 HydrophobicContact CD1-CB 4.21Å; I483-C489 HydrophobicContact CB-CB 4.38Å; I483-C489 HydrophobicContact CG1-CB 4.46Å; I483-C489 VanDerWaalsContact O-CB 3.3Å; I483-C489 WeakPolarHBondContact O-CB 3.34Å; S486-C489 WeakPolarHBondContact O-CB 3.44Å; S486-C489 PolarHBondContact O-N 3.22Å; S486-C489 VanDerWaalsContact O-N 3.11Å; S486-C489 PolarHBondContact OG-N 3.18Å; S486-C489 VanDerWaalsContact OG-N 3.1Å; S486-C489 PolarHBondContact OG-SG 3.39Å; C489-N491 VanDerWaalsContact C-N 3.33Å; C489-N491 PolarHBondContact O-N 3.37Å; C489-K492 PolarHBondContact O-N 3.41Å; C489-K492 VanDerWaalsContact O-N 3.13Å; C489-M493 HydrophobicContact CB-CE 4.21Å; C489-M493 VanDerWaalsContact O-CG 3.31Å; C489-M493 WeakPolarHBondContact O-CG 3.42Å; C489-M493 PolarHBondContact O-N 3.26Å
490	V	94.4	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-45.5	177.4	170	0	0	0	0	111.4	V484 S486 Q487 K492 M493 A494 L523 H526 L531	V484-V490 HydrophobicContact CG2-CG2 3.92Å; V484-V490 WeakPolarHBondContact O-CG2 3.41Å; S486-V490 WeakPolarHBondContact O-CG2 3.48Å; S486-V490 PolarHBondContact O-N 3.06Å; Q487-V490 PolarHBondContact O-N 3.49Å; V490-K492 VanDerWaalsContact C-N 3.3Å; V490-K492 PolarHBondContact O-N 2.92Å; V490-M493 PolarHBondContact O-N 3.4Å; V490-A494 PolarHBondContact O-N 2.8Å; V490-L523 HydrophobicContact CG1-CD1 4.04Å; V490-L523 HydrophobicContact CG2-CD1 4.31Å; V490-H526 HydrophobicContact CG1-CB 4.24Å; V490-H526 WeakPolarHBondContact CG1-O 3.3Å; V490-H526 HydrophobicContact CG2-CB 4.25Å; V490-L531 HydrophobicContact CG1-CD1 4.37Å
491	N	93.2	Very high	93.6	Very high	80 Å²	80	40.3 Å²	40.3	43%	0.428	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-37.9	177.5	-68.9	-11.8	0	0	0	112.3	Q487 C489	Q487-N491 PolarHBondContact NE2-OD1 3.23Å; Q487-N491 WeakPolarHBondContact O-CB 3.49Å; Q487-N491 PolarHBondContact O-N 3.3Å; Q487-N491 PolarHBondContact O-ND2 3.18Å; Q487-N491 PolarHBondContact O-OD1 3.44Å; C489-N491 VanDerWaalsContact C-N 3.33Å; C489-N491 PolarHBondContact O-N 3.37Å
492	K	93.5	Very high	93.6	Very high	116 Å²	116	39.8 Å²	39.8	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-72.1	-36.8	174.9	-71.2	-60.9	-172	178.3	0	112.4	A453 I458 L488 C489 V490 A494 A495	A453-K492 HydrophobicContact CB-CB 4.43Å; A453-K492 HydrophobicContact CB-CG 4.04Å; I458-K492 HydrophobicContact CB-CB 4.29Å; I458-K492 HydrophobicContact CG1-CB 4.11Å; I458-K492 HydrophobicContact CG2-CB 4.25Å; L488-K492 WeakPolarHBondContact O-CG 3.46Å; L488-K492 PolarHBondContact O-N 2.84Å; L488-K492 VanDerWaalsContact O-N 3.14Å; C489-K492 PolarHBondContact O-N 3.41Å; C489-K492 VanDerWaalsContact O-N 3.13Å; V490-K492 VanDerWaalsContact C-N 3.3Å; V490-K492 PolarHBondContact O-N 2.92Å; K492-A494 VanDerWaalsContact C-N 3.33Å; K492-A495 PolarHBondContact O-N 3.38Å
493	M	94.6	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-36.6	174.7	-70.3	179.2	-162.5	0	0	112.1	I458 L480 I483 C489 V490 A495 T496 C498 L523	I458-M493 HydrophobicContact CD1-CE 4.27Å; I458-M493 HydrophobicContact CG2-CB 4.4Å; I458-M493 HydrophobicContact CG2-CG 3.57Å; L480-M493 HydrophobicContact CD2-CE 3.45Å; L480-M493 VanDerWaalsContact CD2-CE 3.45Å; L480-M493 HydrophobicContact CD2-SD 4.05Å; I483-M493 HydrophobicContact CD1-CE 3.61Å; I483-M493 HydrophobicContact CG1-CE 3.45Å; I483-M493 VanDerWaalsContact CG1-CE 3.45Å; C489-M493 HydrophobicContact CB-CE 4.21Å; C489-M493 VanDerWaalsContact O-CG 3.31Å; C489-M493 WeakPolarHBondContact O-CG 3.42Å; C489-M493 PolarHBondContact O-N 3.26Å; V490-M493 PolarHBondContact O-N 3.4Å; M493-A495 PolarHBondContact O-N 2.67Å; M493-A495 VanDerWaalsContact O-N 3.13Å; M493-T496 PolarHBondContact O-N 3.06Å; M493-T496 PolarHBondContact O-OG1 3.44Å; M493-C498 HydrophobicContact CB-CB 4.4Å; M493-L523 HydrophobicContact CB-CD1 4.27Å; M493-L523 HydrophobicContact SD-CD1 4.08Å
494	A	92.6	Very high	93.6	Very high	17 Å²	17	41.7 Å²	41.7	14%	0.14	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.6	176.3	0	0	0	0	0	113.7	V490 K492 T496 L531	V490-A494 PolarHBondContact O-N 2.8Å; K492-A494 VanDerWaalsContact C-N 3.33Å; A494-T496 VanDerWaalsContact C-N 3.34Å; A494-L531 HydrophobicContact CB-CD1 4.07Å; A494-L531 HydrophobicContact CB-CD2 3.93Å; A494-L531 HydrophobicContact CB-CG 3.81Å
495	A	92.1	Very high	93.6	Very high	88 Å²	88	41.6 Å²	41.6	73%	0.727	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	11	173.1	0	0	0	0	0	113.5	K492 M493	K492-A495 PolarHBondContact O-N 3.38Å; M493-A495 PolarHBondContact O-N 2.67Å; M493-A495 VanDerWaalsContact O-N 3.13Å
496	T	94.1	Very high	93.9	Very high	26 Å²	26	37.4 Å²	37.4	16%	0.16	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	169.2	-177.7	68.2	0	0	0	0	110.9	P459 M493 A494 C498	P459-T496 HydrophobicContact CG-CG2 4.49Å; M493-T496 PolarHBondContact O-N 3.06Å; M493-T496 PolarHBondContact O-OG1 3.44Å; A494-T496 VanDerWaalsContact C-N 3.34Å; T496-C498 PolarHBondContact O-N 3.43Å; T496-C498 WeakPolarHBondContact OG1-CB 3.37Å
497	E	93.5	Very high	93.6	Very high	133 Å²	133	44.7 Å²	44.7	62%	0.621	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	22.2	178.5	-58.4	-171.2	161.5	0	0	113.9	V499 S500 H501	E497-V499 VanDerWaalsContact C-N 3.33Å; E497-V499 PolarHBondContact O-N 3.42Å; E497-S500 PolarHBondContact O-N 3.03Å; E497-S500 PolarHBondContact O-OG 3.37Å; E497-H501 PolarHBondContact O-CD2 2.86Å; E497-H501 VanDerWaalsContact O-CD2 3.29Å; E497-H501 PolarHBondContact O-N 3.31Å
498	C	95.2	Very high	93.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-51.2	-45.8	-172.4	-178.2	0	0	0	0	113.2	V462 M493 T496 S500 H501 L502	V462-C498 HydrophobicContact CG1-CB 4.08Å; V462-C498 HydrophobicContact CG2-CB 4Å; M493-C498 HydrophobicContact CB-CB 4.4Å; T496-C498 PolarHBondContact O-N 3.43Å; T496-C498 WeakPolarHBondContact OG1-CB 3.37Å; C498-S500 VanDerWaalsContact C-N 3.3Å; C498-S500 PolarHBondContact O-N 3.2Å; C498-H501 PolarHBondContact O-N 3.43Å; C498-L502 WeakPolarHBondContact O-CG 3.47Å; C498-L502 PolarHBondContact O-N 3.4Å
499	V	95.5	Very high	93.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-38.8	-179.3	-177.7	0	0	0	0	111.6	E497 A503 L523 F524 L531 D534 A535 L540	E497-V499 VanDerWaalsContact C-N 3.33Å; E497-V499 PolarHBondContact O-N 3.42Å; V499-A503 VanDerWaalsContact O-CB 3.28Å; V499-A503 WeakPolarHBondContact O-CB 3.34Å; V499-A503 PolarHBondContact O-N 2.88Å; V499-L523 HydrophobicContact CG2-CD2 4.15Å; V499-F524 HydrophobicContact CG1-CZ 4.21Å; V499-F524 HydrophobicContact CG2-CZ 4.34Å; V499-L531 HydrophobicContact CG2-CD2 3.56Å; V499-D534 HydrophobicContact CB-CB 4.22Å; V499-D534 HydrophobicContact CG2-CB 4.39Å; V499-A535 HydrophobicContact CG1-CB 3.98Å; V499-L540 HydrophobicContact CG1-CD2 3.8Å
500	S	94.2	Very high	93.2	Very high	47 Å²	47	42.9 Å²	42.9	33%	0.329	25%	0.245	S	C	.	.	H	α-helix	trans	-69	-40.8	179.8	78	0	0	0	0	112.1	E497 C498 A503 S504	E497-S500 PolarHBondContact O-N 3.03Å; E497-S500 PolarHBondContact O-OG 3.37Å; C498-S500 VanDerWaalsContact C-N 3.3Å; C498-S500 PolarHBondContact O-N 3.2Å; S500-A503 PolarHBondContact O-N 3.21Å; S500-S504 PolarHBondContact O-N 2.8Å
501	H	94.9	Very high	93	Very high	36 Å²	36	45.9 Å²	45.9	17%	0.167	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-42.8	177	-66.8	-59.7	0	0	0	111.9	L465 E497 C498 A503 S504 A505	L465-H501 HydrophobicContact CB-CB 3.67Å; L465-H501 HydrophobicContact CD1-CB 3.74Å; L465-H501 HydrophobicContact CG-CB 4.42Å; E497-H501 PolarHBondContact O-CD2 2.86Å; E497-H501 VanDerWaalsContact O-CD2 3.29Å; E497-H501 PolarHBondContact O-N 3.31Å; C498-H501 PolarHBondContact O-N 3.43Å; H501-A503 VanDerWaalsContact C-N 3.32Å; H501-A503 PolarHBondContact O-N 2.91Å; H501-S504 WeakPolarHBondContact O-CB 3.46Å; H501-S504 PolarHBondContact O-N 3.2Å; H501-S504 VanDerWaalsContact O-N 3.17Å; H501-A505 WeakPolarHBondContact O-CB 3.17Å; H501-A505 PolarHBondContact O-N 3.33Å
502	L	95.7	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-40.2	174.2	-69	175.6	0	0	0	111.5	L465 L477 L480 C498 S504 A505 L506 I516 T519 L520 L523	L465-L502 HydrophobicContact CD1-CD2 4.14Å; L465-L502 HydrophobicContact CD1-CG 4.36Å; L477-L502 HydrophobicContact CD2-CD2 3.58Å; L480-L502 HydrophobicContact CD1-CD2 4.35Å; C498-L502 WeakPolarHBondContact O-CG 3.47Å; C498-L502 PolarHBondContact O-N 3.4Å; L502-S504 VanDerWaalsContact C-N 3.3Å; L502-S504 PolarHBondContact O-N 3.42Å; L502-A505 PolarHBondContact O-N 2.89Å; L502-L506 PolarHBondContact O-N 2.91Å; L502-L506 VanDerWaalsContact O-N 3.15Å; L502-I516 HydrophobicContact CB-CG2 4.37Å; L502-I516 HydrophobicContact CD2-CG2 4.33Å; L502-T519 HydrophobicContact CD1-CG2 4.22Å; L502-L520 HydrophobicContact CB-CD2 3.88Å; L502-L520 HydrophobicContact CD1-CD2 3.62Å; L502-L520 HydrophobicContact CD1-CG 4.3Å; L502-L520 HydrophobicContact CG-CD2 4.4Å; L502-L523 HydrophobicContact CD1-CD2 4.28Å
503	A	94.4	Very high	93	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-35.8	175.5	0	0	0	0	0	112.4	V499 S500 H501 L540 R543	V499-A503 VanDerWaalsContact O-CB 3.28Å; V499-A503 WeakPolarHBondContact O-CB 3.34Å; V499-A503 PolarHBondContact O-N 2.88Å; S500-A503 PolarHBondContact O-N 3.21Å; H501-A503 VanDerWaalsContact C-N 3.32Å; H501-A503 PolarHBondContact O-N 2.91Å; A503-L540 HydrophobicContact CB-CD1 3.96Å; A503-R543 VanDerWaalsContact C-NH1 3.28Å; A503-R543 PolarHBondContact O-NH1 2.91Å
504	S	93.1	Very high	92.9	Very high	70 Å²	70	40.1 Å²	40.1	49%	0.49	23%	0.232	S	C	.	.	H	α-helix	trans	-70.1	-42.3	173.8	-167.9	0	0	0	0	111.8	S500 H501 L502 L506 H507 S508	S500-S504 PolarHBondContact O-N 2.8Å; H501-S504 WeakPolarHBondContact O-CB 3.46Å; H501-S504 PolarHBondContact O-N 3.2Å; H501-S504 VanDerWaalsContact O-N 3.17Å; L502-S504 VanDerWaalsContact C-N 3.3Å; L502-S504 PolarHBondContact O-N 3.42Å; S504-L506 VanDerWaalsContact C-N 3.28Å; S504-L506 PolarHBondContact O-N 2.83Å; S504-H507 PolarHBondContact O-N 3.44Å; S504-S508 PolarHBondContact O-N 2.82Å
505	A	93.6	Very high	92.9	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-31.6	-179	0	0	0	0	0	113.3	L473 L477 H501 L502 H507 S508 V509 I516	L473-A505 HydrophobicContact CD1-CB 4.34Å; L477-A505 HydrophobicContact CD1-CB 4.35Å; L477-A505 HydrophobicContact CD2-CB 4.33Å; H501-A505 WeakPolarHBondContact O-CB 3.17Å; H501-A505 PolarHBondContact O-N 3.33Å; L502-A505 PolarHBondContact O-N 2.89Å; A505-H507 PolarHBondContact O-N 2.85Å; A505-H507 VanDerWaalsContact O-N 3.09Å; A505-S508 WeakPolarHBondContact CA-OG 3.41Å; A505-S508 PolarHBondContact O-N 3.13Å; A505-V509 HydrophobicContact CB-CG2 4.26Å; A505-V509 VanDerWaalsContact O-CG2 3.23Å; A505-V509 WeakPolarHBondContact O-CG2 3.47Å; A505-V509 PolarHBondContact O-N 3.26Å; A505-V509 VanDerWaalsContact O-N 3.13Å; A505-I516 HydrophobicContact CB-CD1 3.83Å; A505-I516 HydrophobicContact CB-CG1 4.5Å
506	L	92.7	Very high	93.1	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-53.9	-30.8	176.9	-78.9	174.2	0	0	0	113.4	L502 S504 Q513 I516 L520 L540 L544 L547	L502-L506 PolarHBondContact O-N 2.91Å; L502-L506 VanDerWaalsContact O-N 3.15Å; S504-L506 VanDerWaalsContact C-N 3.28Å; S504-L506 PolarHBondContact O-N 2.83Å; L506-Q513 HydrophobicContact CD2-CG 4.45Å; L506-Q513 PolarHBondContact O-NE2 3.04Å; L506-I516 HydrophobicContact CD2-CB 3.87Å; L506-I516 HydrophobicContact CD2-CD1 4.37Å; L506-I516 HydrophobicContact CD2-CG2 3.46Å; L506-I516 VanDerWaalsContact CD2-CG2 3.46Å; L506-I516 HydrophobicContact CG-CG2 3.72Å; L506-L520 HydrophobicContact CD1-CD1 4.14Å; L506-L540 HydrophobicContact CD1-CD1 3.84Å; L506-L544 HydrophobicContact CD1-CD2 4.15Å; L506-L547 HydrophobicContact CD2-CD2 3.97Å
507	H	88.1	Confident	93.2	Very high	162 Å²	162	34.3 Å²	34.3	75%	0.75	19%	0.185	S	C	*	.	H	α-helix	trans	-94.6	-39.8	177.8	-170.1	-2.3	0	0	0	112.4	S504 A505	S504-H507 PolarHBondContact O-N 3.44Å; A505-H507 PolarHBondContact O-N 2.85Å; A505-H507 VanDerWaalsContact O-N 3.09Å
508	S	89.4	Confident	93.1	Very high	58 Å²	58	31 Å²	31	41%	0.406	17%	0.167	S	C	.	.	H	α-helix	trans	-74	-28.2	-172	63.6	0	0	0	0	114.2	S504 A505	S504-S508 PolarHBondContact O-N 2.82Å; A505-S508 WeakPolarHBondContact CA-OG 3.41Å; A505-S508 PolarHBondContact O-N 3.13Å
509	V	91.2	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.			trans	-130.8	70.5	-178.5	-74.1	0	0	0	0	110.9	N470 L473 L477 A505 E511 M512 I516	N470-V509 HydrophobicContact CB-CG1 4.49Å; L473-V509 HydrophobicContact CD2-CG1 3.75Å; L473-V509 HydrophobicContact CD2-CG2 3.93Å; L473-V509 HydrophobicContact CG-CG1 4.48Å; L473-V509 HydrophobicContact CG-CG2 4.4Å; L477-V509 HydrophobicContact CD1-CG2 3.83Å; A505-V509 HydrophobicContact CB-CG2 4.26Å; A505-V509 VanDerWaalsContact O-CG2 3.23Å; A505-V509 WeakPolarHBondContact O-CG2 3.47Å; A505-V509 PolarHBondContact O-N 3.26Å; A505-V509 VanDerWaalsContact O-N 3.13Å; V509-E511 VanDerWaalsContact C-OE2 3.31Å; V509-E511 PolarHBondContact O-N 2.88Å; V509-E511 VanDerWaalsContact O-N 3.14Å; V509-M512 HydrophobicContact CB-CB 4.25Å; V509-M512 HydrophobicContact CB-CG 4.24Å; V509-M512 HydrophobicContact CG2-CB 4.03Å; V509-M512 HydrophobicContact CG2-CG 4.37Å; V509-M512 PolarHBondContact O-N 3.45Å; V509-I516 HydrophobicContact CG2-CD1 4.06Å
510	P	91.1	Very high	93.2	Very high	51 Å²	51	31 Å²	31	33%	0.331	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-57.6	-30.6	-174.5	23.6	-33.9	0	0	0	113.5	M512 Q513 A554	P510-M512 PolarHBondContact O-N 3.16Å; P510-Q513 WeakPolarHBondContact O-CB 3.34Å; P510-Q513 VanDerWaalsContact O-CG 3.23Å; P510-Q513 WeakPolarHBondContact O-CG 3.5Å; P510-Q513 PolarHBondContact O-N 3.03Å; P510-Q513 PolarHBondContact O-OE1 3.4Å; P510-A554 HydrophobicContact CB-CB 4.01Å
511	E	91	Very high	93.2	Very high	64 Å²	64	28.8 Å²	28.8	30%	0.299	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-63.2	-22.3	175	72.1	-73.4	176.8	0	0	113.5	R474 V509 H514	R474-E511 IonicContact CZ-OE1 3.45Å; R474-E511 IonicContact NE-OE1 2.69Å; R474-E511 PolarHBondContact NE-OE1 2.71Å; R474-E511 IonicContact NH2-OE1 2.9Å; R474-E511 PolarHBondContact NH2-OE1 3.33Å; V509-E511 VanDerWaalsContact C-OE2 3.31Å; V509-E511 PolarHBondContact O-N 2.88Å; V509-E511 VanDerWaalsContact O-N 3.14Å; E511-H514 PolarHBondContact O-CE1 3.07Å; E511-H514 VanDerWaalsContact O-CE1 3.3Å; E511-H514 PolarHBondContact O-ND1 3.31Å; E511-H514 VanDerWaalsContact O-ND1 3.14Å
512	M	92.4	Very high	93	Very high	19 Å²	19	28 Å²	28	9%	0.094	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-97.7	5.1	178.8	-62.7	-62.5	-76.9	0	0	113.7	R474 L477 L478 V509 P510 H514 V515 I516	R474-M512 HydrophobicContact CB-CE 4.3Å; R474-M512 HydrophobicContact CG-CE 4.39Å; R474-M512 HydrophobicContact CG-CG 3.9Å; R474-M512 HydrophobicContact CG-SD 4.24Å; L477-M512 HydrophobicContact CB-CE 4.39Å; L477-M512 HydrophobicContact CD1-CB 4.1Å; L477-M512 HydrophobicContact CD1-CG 4.46Å; L478-M512 HydrophobicContact CD2-CE 3.92Å; L478-M512 HydrophobicContact CG-CE 3.92Å; V509-M512 HydrophobicContact CB-CB 4.25Å; V509-M512 HydrophobicContact CB-CG 4.24Å; V509-M512 HydrophobicContact CG2-CB 4.03Å; V509-M512 HydrophobicContact CG2-CG 4.37Å; V509-M512 PolarHBondContact O-N 3.45Å; P510-M512 PolarHBondContact O-N 3.16Å; M512-H514 PolarHBondContact O-N 3.22Å; M512-H514 VanDerWaalsContact O-N 3.1Å; M512-V515 HydrophobicContact CE-CB 4.21Å; M512-V515 HydrophobicContact CE-CG1 4.46Å; M512-V515 HydrophobicContact CE-CG2 3.76Å; M512-V515 WeakPolarHBondContact O-CB 3.48Å; M512-V515 PolarHBondContact O-N 2.7Å; M512-V515 HydrophobicContact SD-CG2 4.4Å; M512-I516 HydrophobicContact CB-CD1 4.27Å; M512-I516 WeakPolarHBondContact O-CG1 3.43Å; M512-I516 PolarHBondContact O-N 3.36Å
513	Q	93.6	Very high	93	Very high	19 Å²	19	28 Å²	28	9%	0.089	15%	0.151	C	C	.	.	H	α-helix	trans	-53.7	-36.1	-177.8	-79.5	171.2	-16.4	0	0	113	L506 P510 V515 I516 C517 T555	L506-Q513 HydrophobicContact CD2-CG 4.45Å; L506-Q513 PolarHBondContact O-NE2 3.04Å; P510-Q513 WeakPolarHBondContact O-CB 3.34Å; P510-Q513 VanDerWaalsContact O-CG 3.23Å; P510-Q513 WeakPolarHBondContact O-CG 3.5Å; P510-Q513 PolarHBondContact O-N 3.03Å; P510-Q513 PolarHBondContact O-OE1 3.4Å; Q513-V515 PolarHBondContact O-N 2.95Å; Q513-I516 PolarHBondContact O-N 3.1Å; Q513-C517 WeakPolarHBondContact O-CB 3.38Å; Q513-C517 PolarHBondContact O-N 3.3Å; Q513-C517 PolarHBondContact O-SG 3.41Å; Q513-C517 VanDerWaalsContact O-SG 3.33Å; Q513-T555 HydrophobicContact CB-CG2 3.92Å
514	H	92.5	Very high	93	Very high	38 Å²	38	28.6 Å²	28.6	18%	0.176	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-39.3	176.2	69.4	-81	0	0	0	113.4	E511 M512 R518 V561 F612	E511-H514 PolarHBondContact O-CE1 3.07Å; E511-H514 VanDerWaalsContact O-CE1 3.3Å; E511-H514 PolarHBondContact O-ND1 3.31Å; E511-H514 VanDerWaalsContact O-ND1 3.14Å; M512-H514 PolarHBondContact O-N 3.22Å; M512-H514 VanDerWaalsContact O-N 3.1Å; H514-R518 VanDerWaalsContact O-CB 3.3Å; H514-R518 WeakPolarHBondContact O-CB 3.45Å; H514-R518 PolarHBondContact O-N 2.78Å; H514-V561 HydrophobicContact CB-CG2 3.7Å; H514-F612 AromaticContact CD2-CD1 3.52Å; H514-F612 AromaticContact CD2-CE1 3.2Å; H514-F612 WeakPolarHBondContact CD2-CE1 3.45Å; H514-F612 AromaticContact CD2-CZ 4Å; H514-F612 AromaticContact NE2-CD1 3.14Å; H514-F612 WeakPolarHBondContact NE2-CD1 3.33Å; H514-F612 AromaticContact NE2-CE1 3.39Å; H514-F612 WeakPolarHBondContact NE2-CE1 3.42Å
515	V	93.6	Very high	92.9	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-69.6	-43.9	175.5	-176	0	0	0	0	110.2	L477 L478 C481 M512 Q513 T519	L477-V515 HydrophobicContact CB-CG1 4.39Å; L478-V515 HydrophobicContact CD2-CG1 4.4Å; L478-V515 HydrophobicContact CD2-CG2 4.24Å; C481-V515 HydrophobicContact CB-CG1 3.54Å; M512-V515 HydrophobicContact CE-CB 4.21Å; M512-V515 HydrophobicContact CE-CG1 4.46Å; M512-V515 HydrophobicContact CE-CG2 3.76Å; M512-V515 WeakPolarHBondContact O-CB 3.48Å; M512-V515 PolarHBondContact O-N 2.7Å; M512-V515 HydrophobicContact SD-CG2 4.4Å; Q513-V515 PolarHBondContact O-N 2.95Å; V515-T519 WeakPolarHBondContact O-CB 3.45Å; V515-T519 PolarHBondContact O-N 2.83Å; V515-T519 PolarHBondContact O-OG1 2.91Å
516	I	95.5	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-51	-177.3	-59.9	162	0	0	0	110.6	L477 L502 A505 L506 V509 M512 Q513 R518 T519 L520	L477-I516 HydrophobicContact CD1-CD1 4Å; L477-I516 HydrophobicContact CD1-CG1 3.88Å; L477-I516 HydrophobicContact CD2-CG1 3.8Å; L477-I516 HydrophobicContact CG-CG1 4.43Å; L502-I516 HydrophobicContact CB-CG2 4.37Å; L502-I516 HydrophobicContact CD2-CG2 4.33Å; A505-I516 HydrophobicContact CB-CD1 3.83Å; A505-I516 HydrophobicContact CB-CG1 4.5Å; L506-I516 HydrophobicContact CD2-CB 3.87Å; L506-I516 HydrophobicContact CD2-CD1 4.37Å; L506-I516 HydrophobicContact CD2-CG2 3.46Å; L506-I516 VanDerWaalsContact CD2-CG2 3.46Å; L506-I516 HydrophobicContact CG-CG2 3.72Å; V509-I516 HydrophobicContact CG2-CD1 4.06Å; M512-I516 HydrophobicContact CB-CD1 4.27Å; M512-I516 WeakPolarHBondContact O-CG1 3.43Å; M512-I516 PolarHBondContact O-N 3.36Å; Q513-I516 PolarHBondContact O-N 3.1Å; I516-R518 VanDerWaalsContact C-N 3.32Å; I516-R518 PolarHBondContact O-N 3.4Å; I516-T519 WeakPolarHBondContact O-CB 3.39Å; I516-T519 PolarHBondContact O-N 2.89Å; I516-T519 VanDerWaalsContact O-N 3.1Å; I516-L520 HydrophobicContact CG2-CD1 4.03Å; I516-L520 HydrophobicContact CG2-CG 4.37Å; I516-L520 WeakPolarHBondContact O-CG 3.38Å; I516-L520 PolarHBondContact O-N 3.49Å
517	C	95	Very high	91.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-38.8	-180	-69.6	0	0	0	0	112.2	Q513 T519 L520 S521 V561 E564 I565	Q513-C517 WeakPolarHBondContact O-CB 3.38Å; Q513-C517 PolarHBondContact O-N 3.3Å; Q513-C517 PolarHBondContact O-SG 3.41Å; Q513-C517 VanDerWaalsContact O-SG 3.33Å; C517-T519 VanDerWaalsContact C-N 3.35Å; C517-L520 PolarHBondContact O-N 3.18Å; C517-S521 VanDerWaalsContact O-CB 3.32Å; C517-S521 WeakPolarHBondContact O-CB 3.49Å; C517-S521 PolarHBondContact O-N 3.34Å; C517-V561 HydrophobicContact CB-CG1 4.03Å; C517-E564 HydrophobicContact CB-CB 4.2Å; C517-I565 HydrophobicContact CB-CG1 4.36Å
518	R	93.2	Very high	91.4	Very high	63 Å²	63	29.2 Å²	29.2	24%	0.238	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-39.6	173.7	-174.1	177.4	-177.5	170.1	4.2	112.4	H514 I516 A522	H514-R518 VanDerWaalsContact O-CB 3.3Å; H514-R518 WeakPolarHBondContact O-CB 3.45Å; H514-R518 PolarHBondContact O-N 2.78Å; I516-R518 VanDerWaalsContact C-N 3.32Å; I516-R518 PolarHBondContact O-N 3.4Å; R518-A522 PolarHBondContact O-N 3.38Å; R518-A522 VanDerWaalsContact O-N 3.16Å
519	T	95	Very high	91.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-45.2	176	-55.5	0	0	0	0	110.8	L480 C481 V484 L502 V515 I516 C517 L523	L480-T519 HydrophobicContact CB-CG2 4.03Å; C481-T519 VanDerWaalsContact CA-OG1 3.31Å; C481-T519 WeakPolarHBondContact CA-OG1 3.4Å; C481-T519 WeakPolarHBondContact CB-OG1 3.48Å; V484-T519 HydrophobicContact CB-CG2 4.42Å; V484-T519 HydrophobicContact CG1-CG2 4.48Å; L502-T519 HydrophobicContact CD1-CG2 4.22Å; V515-T519 WeakPolarHBondContact O-CB 3.45Å; V515-T519 PolarHBondContact O-N 2.83Å; V515-T519 PolarHBondContact O-OG1 2.91Å; I516-T519 WeakPolarHBondContact O-CB 3.39Å; I516-T519 PolarHBondContact O-N 2.89Å; I516-T519 VanDerWaalsContact O-N 3.1Å; C517-T519 VanDerWaalsContact C-N 3.35Å; T519-L523 WeakPolarHBondContact O-CB 3.44Å; T519-L523 PolarHBondContact O-N 3.45Å
520	L	96.2	Very high	91.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-48.6	176.3	-69.2	171.1	0	0	0	111.6	L502 L506 I516 C517 A522 L523 F524 L540 L544 T568	L502-L520 HydrophobicContact CB-CD2 3.88Å; L502-L520 HydrophobicContact CD1-CD2 3.62Å; L502-L520 HydrophobicContact CD1-CG 4.3Å; L502-L520 HydrophobicContact CG-CD2 4.4Å; L506-L520 HydrophobicContact CD1-CD1 4.14Å; I516-L520 HydrophobicContact CG2-CD1 4.03Å; I516-L520 HydrophobicContact CG2-CG 4.37Å; I516-L520 WeakPolarHBondContact O-CG 3.38Å; I516-L520 PolarHBondContact O-N 3.49Å; C517-L520 PolarHBondContact O-N 3.18Å; L520-A522 PolarHBondContact O-N 2.89Å; L520-L523 WeakPolarHBondContact O-CB 3.37Å; L520-L523 PolarHBondContact O-N 3.28Å; L520-L523 VanDerWaalsContact O-N 3.07Å; L520-F524 HydrophobicContact CB-CD2 4.48Å; L520-F524 HydrophobicContact CD2-CE2 4.05Å; L520-F524 WeakPolarHBondContact O-CD2 3.17Å; L520-F524 PolarHBondContact O-N 3.38Å; L520-L540 HydrophobicContact CD1-CD1 4.09Å; L520-L540 HydrophobicContact CD1-CD2 4.36Å; L520-L540 HydrophobicContact CD2-CD2 3.91Å; L520-L544 HydrophobicContact CD1-CD2 4.31Å; L520-T568 HydrophobicContact CB-CG2 4.22Å
521	S	94	Very high	91.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-53.5	-51.1	178.5	178.2	0	0	0	0	112.1	C517 L523 F524 E525 E564 K567 T568	C517-S521 VanDerWaalsContact O-CB 3.32Å; C517-S521 WeakPolarHBondContact O-CB 3.49Å; C517-S521 PolarHBondContact O-N 3.34Å; S521-L523 PolarHBondContact O-N 3.38Å; S521-F524 PolarHBondContact O-N 3.32Å; S521-E525 WeakPolarHBondContact O-CB 3.45Å; S521-E525 PolarHBondContact O-N 3.36Å; S521-E564 WeakPolarHBondContact CB-OE2 3.36Å; S521-E564 PolarHBondContact OG-OE2 2.76Å; S521-K567 WeakPolarHBondContact OG-CD 3.34Å; S521-T568 WeakPolarHBondContact CA-OG1 3.47Å; S521-T568 WeakPolarHBondContact CB-OG1 3.4Å; S521-T568 PolarHBondContact N-OG1 3Å
522	A	92.7	Very high	91.8	Very high	18 Å²	18	25.5 Å²	25.5	15%	0.149	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-36.1	176.3	0	0	0	0	0	113.1	V484 R518 L520 H526	V484-A522 HydrophobicContact CB-CB 4.38Å; V484-A522 HydrophobicContact CG1-CB 3.6Å; V484-A522 HydrophobicContact CG2-CB 3.9Å; R518-A522 PolarHBondContact O-N 3.38Å; R518-A522 VanDerWaalsContact O-N 3.16Å; L520-A522 PolarHBondContact O-N 2.89Å; A522-H526 PolarHBondContact O-CD2 3.18Å; A522-H526 PolarHBondContact O-N 2.98Å
523	L	95.4	Very high	91.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-42.1	178.5	-177	69.2	0	0	0	111.8	V484 V490 M493 V499 L502 T519 L520 S521 G527 L531	V484-L523 HydrophobicContact CG2-CB 3.87Å; V484-L523 HydrophobicContact CG2-CD1 4.27Å; V490-L523 HydrophobicContact CG1-CD1 4.04Å; V490-L523 HydrophobicContact CG2-CD1 4.31Å; M493-L523 HydrophobicContact CB-CD1 4.27Å; M493-L523 HydrophobicContact SD-CD1 4.08Å; V499-L523 HydrophobicContact CG2-CD2 4.15Å; L502-L523 HydrophobicContact CD1-CD2 4.28Å; T519-L523 WeakPolarHBondContact O-CB 3.44Å; T519-L523 PolarHBondContact O-N 3.45Å; L520-L523 WeakPolarHBondContact O-CB 3.37Å; L520-L523 PolarHBondContact O-N 3.28Å; L520-L523 VanDerWaalsContact O-N 3.07Å; S521-L523 PolarHBondContact O-N 3.38Å; L523-G527 WeakPolarHBondContact O-CA 3.45Å; L523-G527 PolarHBondContact O-N 3.08Å; L523-L531 HydrophobicContact CD1-CD1 4.02Å; L523-L531 HydrophobicContact CD1-CD2 4.45Å; L523-L531 HydrophobicContact CD2-CD2 4.23Å; L523-L531 HydrophobicContact CG-CD1 4.01Å; L523-L531 HydrophobicContact CG-CD2 4.4Å
524	F	94.4	Very high	91.9	Very high	14 Å²	14	27.9 Å²	27.9	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-82.1	-27.5	180	-75.1	-76.3	0	0	0	113.4	V499 L520 S521 H526 G527 L531 V532 A535 L540 T568 C571 M572	V499-F524 HydrophobicContact CG1-CZ 4.21Å; V499-F524 HydrophobicContact CG2-CZ 4.34Å; L520-F524 HydrophobicContact CB-CD2 4.48Å; L520-F524 HydrophobicContact CD2-CE2 4.05Å; L520-F524 WeakPolarHBondContact O-CD2 3.17Å; L520-F524 PolarHBondContact O-N 3.38Å; S521-F524 PolarHBondContact O-N 3.32Å; F524-H526 VanDerWaalsContact C-N 3.26Å; F524-H526 PolarHBondContact O-N 3.18Å; F524-G527 PolarHBondContact O-N 3.39Å; F524-L531 HydrophobicContact CD1-CB 4.4Å; F524-L531 HydrophobicContact CE1-CB 3.93Å; F524-L531 WeakPolarHBondContact CE1-O 3.46Å; F524-V532 HydrophobicContact CD1-CG2 4Å; F524-V532 HydrophobicContact CE1-CG2 4.1Å; F524-A535 HydrophobicContact CE1-CB 3.97Å; F524-A535 HydrophobicContact CZ-CB 3.66Å; F524-L540 HydrophobicContact CE2-CD2 3.81Å; F524-L540 HydrophobicContact CZ-CD2 4Å; F524-T568 HydrophobicContact CB-CG2 4.45Å; F524-T568 HydrophobicContact CD2-CG2 3.55Å; F524-T568 HydrophobicContact CE2-CG2 4.17Å; F524-T568 HydrophobicContact CG-CG2 4.22Å; F524-C571 HydrophobicContact CB-CB 3.92Å; F524-M572 HydrophobicContact CD1-CG 3.69Å; F524-M572 HydrophobicContact CE1-CG 3.94Å; F524-M572 HydrophobicContact CE1-SD 4.35Å; F524-M572 HydrophobicContact CG-CG 4.03Å; F524-M572 HydrophobicContact CZ-CG 4.49Å; F524-M572 HydrophobicContact CZ-SD 4.36Å
525	E	90.5	Very high	92	Very high	93 Å²	93	26.1 Å²	26.1	44%	0.435	15%	0.152	S	C	.	.	H	α-helix	trans	-63	-34.7	172.5	-178.5	169.7	-147.5	0	0	112.2	S521 K567	S521-E525 WeakPolarHBondContact O-CB 3.45Å; S521-E525 PolarHBondContact O-N 3.36Å; E525-K567 VanDerWaalsContact CD-CE 3.49Å; E525-K567 WeakPolarHBondContact OE1-CE 3.43Å; E525-K567 IonicContact OE1-NZ 3.55Å; E525-K567 PolarHBondContact OE1-NZ 2.84Å; E525-K567 WeakPolarHBondContact OE2-CE 3.35Å; E525-K567 IonicContact OE2-NZ 3.42Å; E525-K567 PolarHBondContact OE2-NZ 3.48Å
526	H	82.3	Confident	92	Very high	72 Å²	72	27 Å²	27	33%	0.333	16%	0.156	S	C	.	.	S	Bend	trans	-108.1	5.4	-180	-63.4	-49.9	0	0	0	113.4	Q487 V490 A522 F524	Q487-H526 PolarHBondContact NE2-O 3.25Å; V490-H526 HydrophobicContact CG1-CB 4.24Å; V490-H526 WeakPolarHBondContact CG1-O 3.3Å; V490-H526 HydrophobicContact CG2-CB 4.25Å; A522-H526 PolarHBondContact O-CD2 3.18Å; A522-H526 PolarHBondContact O-N 2.98Å; F524-H526 VanDerWaalsContact C-N 3.26Å; F524-H526 PolarHBondContact O-N 3.18Å
527	G	77.5	Confident	92	Very high	29 Å²	29	35.4 Å²	35.4	30%	0.299	19%	0.193	S	C	.	.			trans	-79.4	163.5	-168.9	0	0	0	0	0	114.2	L523 F524 L531	L523-G527 WeakPolarHBondContact O-CA 3.45Å; L523-G527 PolarHBondContact O-N 3.08Å; F524-G527 PolarHBondContact O-N 3.39Å; G527-L531 VanDerWaalsContact CA-CD1 3.47Å
528	T	83.5	Confident	92	Very high	63 Å²	63	36.6 Å²	36.6	39%	0.387	20%	0.201	S	C	.	.			trans	-94.3	164.3	167.2	64.9	0	0	0	0	110.4	S530 L531	T528-S530 PolarHBondContact O-N 3.4Å; T528-S530 PolarHBondContact OG1-OG 2.92Å; T528-L531 WeakPolarHBondContact O-CB 3.35Å; T528-L531 PolarHBondContact O-N 3.25Å
529	S	90	Very high	92.1	Very high	36 Å²	36	37.6 Å²	37.6	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-55.4	-22.6	176.8	-48.9	0	0	0	0	114.1	V532 A533 F578	S529-V532 PolarHBondContact O-N 3.36Å; S529-A533 PolarHBondContact O-N 3.32Å; S529-A533 VanDerWaalsContact O-N 3.13Å; S529-F578 WeakPolarHBondContact O-CD2 3.41Å; S529-F578 WeakPolarHBondContact O-CE2 3.35Å
530	S	92.2	Very high	92.1	Very high	52 Å²	52	37.5 Å²	37.5	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-62.1	-39.3	174.9	65.5	0	0	0	0	113.1	T528 V532 A533 D534	T528-S530 PolarHBondContact O-N 3.4Å; T528-S530 PolarHBondContact OG1-OG 2.92Å; S530-V532 VanDerWaalsContact C-N 3.28Å; S530-V532 PolarHBondContact O-N 2.83Å; S530-A533 WeakPolarHBondContact O-CB 3.18Å; S530-A533 PolarHBondContact O-N 3.29Å; S530-D534 PolarHBondContact O-N 3.04Å
531	L	93.8	Very high	92	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-36.1	177.3	-72.4	167.4	0	0	0	111.5	V490 A494 V499 L523 F524 G527 T528 D534 A535	V490-L531 HydrophobicContact CG1-CD1 4.37Å; A494-L531 HydrophobicContact CB-CD1 4.07Å; A494-L531 HydrophobicContact CB-CD2 3.93Å; A494-L531 HydrophobicContact CB-CG 3.81Å; V499-L531 HydrophobicContact CG2-CD2 3.56Å; L523-L531 HydrophobicContact CD1-CD1 4.02Å; L523-L531 HydrophobicContact CD1-CD2 4.45Å; L523-L531 HydrophobicContact CD2-CD2 4.23Å; L523-L531 HydrophobicContact CG-CD1 4.01Å; L523-L531 HydrophobicContact CG-CD2 4.4Å; F524-L531 HydrophobicContact CD1-CB 4.4Å; F524-L531 HydrophobicContact CE1-CB 3.93Å; F524-L531 WeakPolarHBondContact CE1-O 3.46Å; G527-L531 VanDerWaalsContact CA-CD1 3.47Å; T528-L531 WeakPolarHBondContact O-CB 3.35Å; T528-L531 PolarHBondContact O-N 3.25Å; L531-D534 PolarHBondContact O-N 3.37Å; L531-A535 WeakPolarHBondContact O-CB 3.42Å; L531-A535 PolarHBondContact O-N 3Å
532	V	94.1	Very high	92	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-38.9	177	-175.5	0	0	0	0	110.6	F524 S529 S530 D534 A535 I536 M572 C575 F578 V582	F524-V532 HydrophobicContact CD1-CG2 4Å; F524-V532 HydrophobicContact CE1-CG2 4.1Å; S529-V532 PolarHBondContact O-N 3.36Å; S530-V532 VanDerWaalsContact C-N 3.28Å; S530-V532 PolarHBondContact O-N 2.83Å; V532-D534 PolarHBondContact O-N 3.41Å; V532-A535 WeakPolarHBondContact O-CB 3.5Å; V532-A535 PolarHBondContact O-N 3.38Å; V532-I536 HydrophobicContact CG1-CD1 4.35Å; V532-I536 WeakPolarHBondContact O-CG1 3.3Å; V532-I536 PolarHBondContact O-N 2.88Å; V532-M572 HydrophobicContact CG1-CB 4.34Å; V532-C575 HydrophobicContact CB-CB 4.33Å; V532-C575 HydrophobicContact CG1-CB 4.16Å; V532-C575 HydrophobicContact CG2-CB 3.93Å; V532-F578 HydrophobicContact CB-CB 4.46Å; V532-F578 HydrophobicContact CG1-CB 3.83Å; V532-V582 HydrophobicContact CG1-CG2 4.01Å
533	A	93.9	Very high	92.1	Very high	31 Å²	31	44.8 Å²	44.8	26%	0.256	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-44.9	172.8	0	0	0	0	0	112	S529 S530 A535 I536 K537 F578	S529-A533 PolarHBondContact O-N 3.32Å; S529-A533 VanDerWaalsContact O-N 3.13Å; S530-A533 WeakPolarHBondContact O-CB 3.18Å; S530-A533 PolarHBondContact O-N 3.29Å; A533-A535 VanDerWaalsContact C-N 3.34Å; A533-A535 PolarHBondContact O-N 3.06Å; A533-I536 PolarHBondContact O-N 3.43Å; A533-K537 PolarHBondContact O-N 2.83Å; A533-F578 HydrophobicContact CB-CD2 4.12Å; A533-F578 HydrophobicContact CB-CE1 4.31Å; A533-F578 HydrophobicContact CB-CE2 3.69Å; A533-F578 HydrophobicContact CB-CZ 3.8Å
534	D	94	Very high	92.1	Very high	57 Å²	57	44.8 Å²	44.8	31%	0.305	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-38.7	176.9	-71.6	-27	0	0	0	112.2	V499 S530 L531 V532 I536 K537 C538	V499-D534 HydrophobicContact CB-CB 4.22Å; V499-D534 HydrophobicContact CG2-CB 4.39Å; S530-D534 PolarHBondContact O-N 3.04Å; L531-D534 PolarHBondContact O-N 3.37Å; V532-D534 PolarHBondContact O-N 3.41Å; D534-I536 VanDerWaalsContact C-N 3.31Å; D534-I536 PolarHBondContact O-N 2.85Å; D534-K537 WeakPolarHBondContact O-CB 3.37Å; D534-K537 PolarHBondContact O-N 2.96Å; D534-C538 PolarHBondContact O-N 2.88Å; D534-C538 PolarHBondContact O-SG 2.91Å
535	A	95.5	Very high	92.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-34.5	175.9	0	0	0	0	0	113.1	V499 F524 L531 V532 A533 N539 L540 H541 M572	V499-A535 HydrophobicContact CG1-CB 3.98Å; F524-A535 HydrophobicContact CE1-CB 3.97Å; F524-A535 HydrophobicContact CZ-CB 3.66Å; L531-A535 WeakPolarHBondContact O-CB 3.42Å; L531-A535 PolarHBondContact O-N 3Å; V532-A535 WeakPolarHBondContact O-CB 3.5Å; V532-A535 PolarHBondContact O-N 3.38Å; A533-A535 VanDerWaalsContact C-N 3.34Å; A533-A535 PolarHBondContact O-N 3.06Å; A535-N539 PolarHBondContact O-N 3.31Å; A535-L540 HydrophobicContact CB-CB 4.11Å; A535-L540 HydrophobicContact CB-CD2 4.1Å; A535-L540 WeakPolarHBondContact O-CB 3.37Å; A535-L540 PolarHBondContact O-N 3.41Å; A535-H541 PolarHBondContact O-ND1 3.26Å; A535-M572 HydrophobicContact CB-CE 3.41Å; A535-M572 VanDerWaalsContact CB-CE 3.41Å; A535-M572 HydrophobicContact CB-SD 4.3Å
536	I	94.6	Very high	92.2	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-48.8	172.4	-67.1	166.8	0	0	0	109.5	V532 A533 D534 C538 N539 F578 E581 V582	V532-I536 HydrophobicContact CG1-CD1 4.35Å; V532-I536 WeakPolarHBondContact O-CG1 3.3Å; V532-I536 PolarHBondContact O-N 2.88Å; A533-I536 PolarHBondContact O-N 3.43Å; D534-I536 VanDerWaalsContact C-N 3.31Å; D534-I536 PolarHBondContact O-N 2.85Å; I536-C538 VanDerWaalsContact C-N 3.26Å; I536-C538 PolarHBondContact O-N 3.24Å; I536-N539 PolarHBondContact O-N 3Å; I536-F578 HydrophobicContact CD1-CB 3.78Å; I536-F578 HydrophobicContact CD1-CD1 4.43Å; I536-F578 HydrophobicContact CD1-CG 4.34Å; I536-E581 HydrophobicContact CD1-CB 4.45Å; I536-E581 HydrophobicContact CD1-CG 4.43Å; I536-V582 HydrophobicContact CD1-CG2 3.85Å; I536-V582 HydrophobicContact CG1-CG2 3.97Å
537	K	94.5	Very high	92.7	Very high	178 Å²	178	44 Å²	44	77%	0.774	24%	0.236	S	C	*	.	H	α-helix	trans	-55.9	-36.7	-179.5	-173.2	-176	177.3	-171.6	0	113.2	A533 D534	A533-K537 PolarHBondContact O-N 2.83Å; D534-K537 WeakPolarHBondContact O-CB 3.37Å; D534-K537 PolarHBondContact O-N 2.96Å
538	C	94.3	Very high	93.4	Very high	25 Å²	25	42.6 Å²	42.6	17%	0.169	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.4	178	71.4	0	0	0	0	114.6	D534 I536 L540	D534-C538 PolarHBondContact O-N 2.88Å; D534-C538 PolarHBondContact O-SG 2.91Å; I536-C538 VanDerWaalsContact C-N 3.26Å; I536-C538 PolarHBondContact O-N 3.24Å; C538-L540 PolarHBondContact O-N 3.39Å
539	N	95.2	Very high	93.8	Very high	84 Å²	84	42.4 Å²	42.4	45%	0.449	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.2	-177.2	-62.1	-49.8	0	0	0	114	A535 I536 H541 I542 R543	A535-N539 PolarHBondContact O-N 3.31Å; I536-N539 PolarHBondContact O-N 3Å; N539-H541 VanDerWaalsContact C-N 3.3Å; N539-H541 PolarHBondContact O-N 3.31Å; N539-I542 HydrophobicContact CB-CB 4.4Å; N539-I542 HydrophobicContact CB-CD1 4.18Å; N539-I542 PolarHBondContact O-N 3.2Å; N539-I542 VanDerWaalsContact O-N 3.15Å; N539-R543 PolarHBondContact O-N 2.99Å; N539-R543 VanDerWaalsContact O-N 3.08Å
540	L	96.1	Very high	93.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-42.2	-179.5	176.2	62.7	0	0	0	111.6	V499 A503 L506 L520 F524 A535 C538 I542 R543 L544	V499-L540 HydrophobicContact CG1-CD2 3.8Å; A503-L540 HydrophobicContact CB-CD1 3.96Å; L506-L540 HydrophobicContact CD1-CD1 3.84Å; L520-L540 HydrophobicContact CD1-CD1 4.09Å; L520-L540 HydrophobicContact CD1-CD2 4.36Å; L520-L540 HydrophobicContact CD2-CD2 3.91Å; F524-L540 HydrophobicContact CE2-CD2 3.81Å; F524-L540 HydrophobicContact CZ-CD2 4Å; A535-L540 HydrophobicContact CB-CB 4.11Å; A535-L540 HydrophobicContact CB-CD2 4.1Å; A535-L540 WeakPolarHBondContact O-CB 3.37Å; A535-L540 PolarHBondContact O-N 3.41Å; C538-L540 PolarHBondContact O-N 3.39Å; L540-I542 VanDerWaalsContact C-N 3.26Å; L540-I542 PolarHBondContact O-N 2.94Å; L540-R543 PolarHBondContact O-N 2.88Å; L540-L544 HydrophobicContact CD1-CD1 4.21Å; L540-L544 HydrophobicContact CD1-CD2 4.34Å; L540-L544 HydrophobicContact CD1-CG 3.93Å; L540-L544 HydrophobicContact CD2-CD1 4.45Å; L540-L544 HydrophobicContact CG-CD1 3.93Å; L540-L544 HydrophobicContact CG-CG 4.12Å; L540-L544 WeakPolarHBondContact O-CB 3.26Å; L540-L544 VanDerWaalsContact O-CG 3.29Å; L540-L544 WeakPolarHBondContact O-CG 3.35Å; L540-L544 PolarHBondContact O-N 3.16Å
541	H	94	Very high	93.7	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-34.8	178	57.5	-73.8	0	0	0	112.8	A535 N539 L545 L569 M572 V582	A535-H541 PolarHBondContact O-ND1 3.26Å; N539-H541 VanDerWaalsContact C-N 3.3Å; N539-H541 PolarHBondContact O-N 3.31Å; H541-L545 WeakPolarHBondContact O-CG 3.11Å; H541-L545 PolarHBondContact O-N 3.43Å; H541-L569 HydrophobicContact CB-CD2 4.15Å; H541-M572 HydrophobicContact CB-CE 3.78Å; H541-V582 HydrophobicContact CB-CG1 4.48Å
542	I	94	Very high	93.5	Very high	62 Å²	62	46.6 Å²	46.6	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-71.5	-47.5	174.5	-59.8	175.7	0	0	0	110.3	N539 L540 L544 L545 E546 V585	N539-I542 HydrophobicContact CB-CB 4.4Å; N539-I542 HydrophobicContact CB-CD1 4.18Å; N539-I542 PolarHBondContact O-N 3.2Å; N539-I542 VanDerWaalsContact O-N 3.15Å; L540-I542 VanDerWaalsContact C-N 3.26Å; L540-I542 PolarHBondContact O-N 2.94Å; I542-L544 VanDerWaalsContact C-N 3.26Å; I542-L544 PolarHBondContact O-N 3.47Å; I542-L545 WeakPolarHBondContact O-CB 3.28Å; I542-L545 PolarHBondContact O-N 3.02Å; I542-L545 VanDerWaalsContact O-N 3.08Å; I542-E546 WeakPolarHBondContact O-CG 3.08Å; I542-E546 PolarHBondContact O-N 3.05Å; I542-V585 HydrophobicContact CG1-CG1 4.35Å
543	R	94.4	Very high	93.2	Very high	103 Å²	103	52.3 Å²	52.3	39%	0.389	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-37.6	177.9	-66.7	-179.9	-174.1	-162.9	1.8	112.4	A503 N539 L540 E546 L547	A503-R543 VanDerWaalsContact C-NH1 3.28Å; A503-R543 PolarHBondContact O-NH1 2.91Å; N539-R543 PolarHBondContact O-N 2.99Å; N539-R543 VanDerWaalsContact O-N 3.08Å; L540-R543 PolarHBondContact O-N 2.88Å; R543-E546 PolarHBondContact O-N 2.92Å; R543-L547 WeakPolarHBondContact O-CB 3.44Å; R543-L547 PolarHBondContact O-N 3.31Å
544	L	95.3	Very high	92.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-37.8	176	-74.1	178.4	0	0	0	112	L506 L520 L540 I542 L547 L548 I565 T568 L569	L506-L544 HydrophobicContact CD1-CD2 4.15Å; L520-L544 HydrophobicContact CD1-CD2 4.31Å; L540-L544 HydrophobicContact CD1-CD1 4.21Å; L540-L544 HydrophobicContact CD1-CD2 4.34Å; L540-L544 HydrophobicContact CD1-CG 3.93Å; L540-L544 HydrophobicContact CD2-CD1 4.45Å; L540-L544 HydrophobicContact CG-CD1 3.93Å; L540-L544 HydrophobicContact CG-CG 4.12Å; L540-L544 WeakPolarHBondContact O-CB 3.26Å; L540-L544 VanDerWaalsContact O-CG 3.29Å; L540-L544 WeakPolarHBondContact O-CG 3.35Å; L540-L544 PolarHBondContact O-N 3.16Å; I542-L544 VanDerWaalsContact C-N 3.26Å; I542-L544 PolarHBondContact O-N 3.47Å; L544-L547 PolarHBondContact O-N 3.49Å; L544-L548 WeakPolarHBondContact O-CB 3.4Å; L544-L548 PolarHBondContact O-N 2.93Å; L544-I565 HydrophobicContact CB-CG2 3.97Å; L544-I565 HydrophobicContact CD2-CG1 4.16Å; L544-I565 HydrophobicContact CD2-CG2 4.27Å; L544-T568 HydrophobicContact CD1-CG2 3.78Å; L544-L569 HydrophobicContact CB-CD1 4.38Å; L544-L569 HydrophobicContact CB-CD2 3.93Å; L544-L569 HydrophobicContact CB-CG 4.3Å; L544-L569 HydrophobicContact CD1-CD2 3.85Å; L544-L569 HydrophobicContact CD1-CG 4.33Å
545	L	93.6	Very high	92.3	Very high	16 Å²	16	51 Å²	51	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-42.4	172.9	-73.1	171.2	0	0	0	112.3	H541 I542 L547 L548 A549 L569 L586 W592	H541-L545 WeakPolarHBondContact O-CG 3.11Å; H541-L545 PolarHBondContact O-N 3.43Å; I542-L545 WeakPolarHBondContact O-CB 3.28Å; I542-L545 PolarHBondContact O-N 3.02Å; I542-L545 VanDerWaalsContact O-N 3.08Å; L545-L547 VanDerWaalsContact C-N 3.31Å; L545-L547 PolarHBondContact O-N 3.02Å; L545-L548 PolarHBondContact O-N 3.02Å; L545-A549 PolarHBondContact O-N 2.63Å; L545-A549 VanDerWaalsContact O-N 3.1Å; L545-L569 HydrophobicContact CD2-CD1 3.97Å; L545-L569 HydrophobicContact CG-CD1 4.34Å; L545-L586 HydrophobicContact CD1-CD2 4.02Å; L545-L586 HydrophobicContact CD2-CD2 3.84Å; L545-L586 HydrophobicContact CG-CD2 4.06Å; L545-W592 HydrophobicContact CD2-CB 3.99Å; L545-W592 HydrophobicContact CD2-CE3 4.3Å
546	E	93.1	Very high	91.6	Very high	127 Å²	127	60.7 Å²	60.7	59%	0.593	32%	0.323	S	S	*	.	H	α-helix	trans	-60.7	-42.6	174.8	-68.4	170.2	174.5	0	0	111.1	I542 R543 A549 S550	I542-E546 WeakPolarHBondContact O-CG 3.08Å; I542-E546 PolarHBondContact O-N 3.05Å; R543-E546 PolarHBondContact O-N 2.92Å; E546-A549 WeakPolarHBondContact O-CB 3.33Å; E546-A549 PolarHBondContact O-N 2.81Å; E546-S550 PolarHBondContact O-N 3.26Å
547	L	93	Very high	91.2	Very high	19 Å²	19	61.7 Å²	61.7	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-38.2	178	-168.7	64.3	0	0	0	112.2	L506 R543 L544 L545 A549 S550 L552 I565	L506-L547 HydrophobicContact CD2-CD2 3.97Å; R543-L547 WeakPolarHBondContact O-CB 3.44Å; R543-L547 PolarHBondContact O-N 3.31Å; L544-L547 PolarHBondContact O-N 3.49Å; L545-L547 VanDerWaalsContact C-N 3.31Å; L545-L547 PolarHBondContact O-N 3.02Å; L547-A549 VanDerWaalsContact C-N 3.27Å; L547-A549 PolarHBondContact O-N 3.4Å; L547-S550 WeakPolarHBondContact O-CB 3.47Å; L547-S550 PolarHBondContact O-N 3.29Å; L547-S550 VanDerWaalsContact O-N 3.09Å; L547-S550 PolarHBondContact O-OG 2.98Å; L547-L552 HydrophobicContact CD1-CD2 3.38Å; L547-L552 HydrophobicContact CD2-CD2 4.35Å; L547-L552 HydrophobicContact CG-CD2 3.72Å; L547-I565 HydrophobicContact CB-CD1 4.18Å; L547-I565 HydrophobicContact CD2-CD1 3.77Å; L547-I565 HydrophobicContact CG-CD1 3.87Å
548	L	92.7	Very high	91	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-36	175.1	-171.5	64.1	0	0	0	112.1	L544 L545 S550 K562 I565 V566 V591 W592 F595	L544-L548 WeakPolarHBondContact O-CB 3.4Å; L544-L548 PolarHBondContact O-N 2.93Å; L545-L548 PolarHBondContact O-N 3.02Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 3.47Å; L548-K562 HydrophobicContact CD1-CB 3.81Å; L548-K562 HydrophobicContact CD1-CD 4.3Å; L548-K562 HydrophobicContact CD1-CG 3.95Å; L548-K562 WeakPolarHBondContact O-CE 3.46Å; L548-K562 PolarHBondContact O-NZ 3.03Å; L548-K562 VanDerWaalsContact O-NZ 3.08Å; L548-I565 HydrophobicContact CB-CG2 4.18Å; L548-I565 HydrophobicContact CD1-CB 4.44Å; L548-I565 HydrophobicContact CD1-CG2 4.26Å; L548-V566 HydrophobicContact CD1-CG2 3.96Å; L548-V566 HydrophobicContact CD2-CG2 4.14Å; L548-V591 HydrophobicContact CB-CG1 4.43Å; L548-V591 HydrophobicContact CD2-CG1 4.24Å; L548-V591 HydrophobicContact CG-CG1 4.24Å; L548-W592 HydrophobicContact CD2-CE3 4.43Å; L548-F595 HydrophobicContact CD1-CD1 4.07Å; L548-F595 HydrophobicContact CD1-CD2 4.43Å; L548-F595 HydrophobicContact CD1-CE1 4.17Å; L548-F595 HydrophobicContact CD1-CG 4.21Å; L548-F595 HydrophobicContact CD1-CZ 4.41Å; L548-F595 HydrophobicContact CD2-CB 4.07Å; L548-F595 HydrophobicContact CD2-CD2 3.86Å; L548-F595 HydrophobicContact CD2-CE2 4.5Å; L548-F595 HydrophobicContact CD2-CG 3.92Å; L548-F595 HydrophobicContact CG-CD1 4.5Å; L548-F595 HydrophobicContact CG-CD2 3.99Å; L548-F595 HydrophobicContact CG-CE2 4.14Å; L548-F595 HydrophobicContact CG-CG 4.19Å; L548-F595 HydrophobicContact CG-CZ 4.45Å
549	A	92	Very high	90.8	Very high	59 Å²	59	57.3 Å²	57.3	49%	0.488	32%	0.324	S	S	.	.	H	α-helix	trans	-72.2	-18.1	175.6	0	0	0	0	0	113.8	L545 E546 L547 V591	L545-A549 PolarHBondContact O-N 2.63Å; L545-A549 VanDerWaalsContact O-N 3.1Å; E546-A549 WeakPolarHBondContact O-CB 3.33Å; E546-A549 PolarHBondContact O-N 2.81Å; L547-A549 VanDerWaalsContact C-N 3.27Å; L547-A549 PolarHBondContact O-N 3.4Å; A549-V591 HydrophobicContact CB-CG1 4.07Å; A549-V591 HydrophobicContact CB-CG2 3.9Å
550	S	90.6	Very high	90.5	Very high	38 Å²	38	54.9 Å²	54.9	27%	0.266	32%	0.315	S	S	.	.	S	Bend	trans	-82.9	166.4	-177.7	82.5	0	0	0	0	113.5	E546 L547 L548 L552 K562	E546-S550 PolarHBondContact O-N 3.26Å; L547-S550 WeakPolarHBondContact O-CB 3.47Å; L547-S550 PolarHBondContact O-N 3.29Å; L547-S550 VanDerWaalsContact O-N 3.09Å; L547-S550 PolarHBondContact O-OG 2.98Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 3.47Å; S550-L552 PolarHBondContact OG-N 3.07Å; S550-K562 WeakPolarHBondContact O-CE 3.48Å; S550-K562 PolarHBondContact O-NZ 3.01Å
551	D	88.9	Confident	90.3	Very high	139 Å²	139	55 Å²	55	74%	0.743	32%	0.316	S	S	*	.			trans	-85.1	-7.4	176.2	-67.3	-34.9	0	0	0	114.1
552	L	89.3	Confident	90.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.323	C	S	.	.			trans	49.6	53.3	-179.4	-62.9	167.5	0	0	0	114.6	L547 S550 A554 T555 P558 V561 K562	L547-L552 HydrophobicContact CD1-CD2 3.38Å; L547-L552 HydrophobicContact CD2-CD2 4.35Å; L547-L552 HydrophobicContact CG-CD2 3.72Å; S550-L552 PolarHBondContact OG-N 3.07Å; L552-A554 PolarHBondContact O-N 2.99Å; L552-A554 VanDerWaalsContact O-N 3.09Å; L552-T555 WeakPolarHBondContact CB-OG1 3.33Å; L552-T555 PolarHBondContact O-N 3.11Å; L552-T555 VanDerWaalsContact O-N 3.09Å; L552-T555 PolarHBondContact O-OG1 3.28Å; L552-P558 HydrophobicContact CB-CB 4.08Å; L552-P558 HydrophobicContact CB-CG 4.35Å; L552-P558 HydrophobicContact CD1-CB 4.22Å; L552-V561 HydrophobicContact CD1-CB 3.77Å; L552-V561 HydrophobicContact CD1-CG1 3.75Å; L552-V561 HydrophobicContact CD2-CG1 4.31Å; L552-K562 HydrophobicContact CD1-CG 3.86Å
553	P	88	Confident	90.1	Very high	128 Å²	128	54.1 Å²	54.1	83%	0.831	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.4	-169.2	28	-36.7	0	0	0	114.3	T555	P553-T555 VanDerWaalsContact C-N 3.31Å
554	A	85.2	Confident	90	Very high	48 Å²	48	51.6 Å²	51.6	40%	0.397	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.8	-179.3	0	0	0	0	0	113.6	P510 L552	P510-A554 HydrophobicContact CB-CB 4.01Å; L552-A554 PolarHBondContact O-N 2.99Å; L552-A554 VanDerWaalsContact O-N 3.09Å
555	T	83.9	Confident	90	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.08	31%	0.305	C	S	.	.			trans	-112.2	138	-176.8	68.5	0	0	0	0	111.1	Q513 L552 P553 S557 V561	Q513-T555 HydrophobicContact CB-CG2 3.92Å; L552-T555 WeakPolarHBondContact CB-OG1 3.33Å; L552-T555 PolarHBondContact O-N 3.11Å; L552-T555 VanDerWaalsContact O-N 3.09Å; L552-T555 PolarHBondContact O-OG1 3.28Å; P553-T555 VanDerWaalsContact C-N 3.31Å; T555-S557 VanDerWaalsContact C-N 3.26Å; T555-S557 PolarHBondContact O-N 2.97Å; T555-V561 HydrophobicContact CG2-CG2 4.3Å
556	E	81.4	Confident	90	Very high	202 Å²	202	51 Å²	51	94%	0.944	30%	0.301	S	S	*	.	S	Bend	trans	-71.3	-22.2	177.8	-63.8	-173.8	167.2	0	0	113
557	S	85.8	Confident	90	Very high	46 Å²	46	48.3 Å²	48.3	32%	0.322	29%	0.288	S	S	.	.			trans	-130.2	65.2	-175.3	53.7	0	0	0	0	113.4	T555 S559 A560 V561	T555-S557 VanDerWaalsContact C-N 3.26Å; T555-S557 PolarHBondContact O-N 2.97Å; S557-S559 VanDerWaalsContact C-N 3.26Å; S557-S559 PolarHBondContact O-N 3.4Å; S557-S559 VanDerWaalsContact O-N 3.14Å; S557-A560 PolarHBondContact O-N 2.9Å; S557-V561 PolarHBondContact O-N 2.94Å
558	P	89.8	Confident	90.1	Very high	43 Å²	43	47.4 Å²	47.4	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-50.1	-42.7	-178.7	-30.3	37.1	0	0	0	113.9	L552 A560 V561 K562	L552-P558 HydrophobicContact CB-CB 4.08Å; L552-P558 HydrophobicContact CB-CG 4.35Å; L552-P558 HydrophobicContact CD1-CB 4.22Å; P558-A560 VanDerWaalsContact C-N 3.33Å; P558-A560 PolarHBondContact O-N 3.38Å; P558-V561 PolarHBondContact O-N 3.32Å; P558-K562 WeakPolarHBondContact O-CG 3.28Å; P558-K562 PolarHBondContact O-N 2.79Å
559	S	89.5	Confident	90.2	Very high	69 Å²	69	47.4 Å²	47.4	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-37.2	-179.8	-51.2	0	0	0	0	113.3	S557 K562 A563	S557-S559 VanDerWaalsContact C-N 3.26Å; S557-S559 PolarHBondContact O-N 3.4Å; S557-S559 VanDerWaalsContact O-N 3.14Å; S559-K562 PolarHBondContact O-N 3.44Å; S559-A563 PolarHBondContact O-N 3.17Å
560	A	88.9	Confident	90.2	Very high	33 Å²	33	48 Å²	48	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-68.6	-42	177.4	0	0	0	0	0	110.6	S557 P558 A563 E564	S557-A560 PolarHBondContact O-N 2.9Å; P558-A560 VanDerWaalsContact C-N 3.33Å; P558-A560 PolarHBondContact O-N 3.38Å; A560-A563 WeakPolarHBondContact O-CB 3.44Å; A560-A563 PolarHBondContact O-N 2.9Å; A560-E564 WeakPolarHBondContact O-CG 3.27Å; A560-E564 PolarHBondContact O-N 3.39Å
561	V	92.2	Very high	90.3	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-45.4	175.5	-178.6	0	0	0	0	110.8	H514 C517 L552 T555 S557 P558 A563 E564 I565	H514-V561 HydrophobicContact CB-CG2 3.7Å; C517-V561 HydrophobicContact CB-CG1 4.03Å; L552-V561 HydrophobicContact CD1-CB 3.77Å; L552-V561 HydrophobicContact CD1-CG1 3.75Å; L552-V561 HydrophobicContact CD2-CG1 4.31Å; T555-V561 HydrophobicContact CG2-CG2 4.3Å; S557-V561 PolarHBondContact O-N 2.94Å; P558-V561 PolarHBondContact O-N 3.32Å; V561-A563 VanDerWaalsContact C-N 3.32Å; V561-A563 PolarHBondContact O-N 3.1Å; V561-E564 PolarHBondContact O-N 3.27Å; V561-I565 HydrophobicContact CG1-CD1 4.07Å; V561-I565 VanDerWaalsContact O-CG1 3.29Å; V561-I565 WeakPolarHBondContact O-CG1 3.28Å; V561-I565 PolarHBondContact O-N 3Å
562	K	93.2	Very high	90.6	Very high	39 Å²	39	41.2 Å²	41.2	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-40.5	175.9	-69.2	-170.1	-177	-157.1	0	112.2	L548 S550 L552 P558 S559 I565 V566 F595	L548-K562 HydrophobicContact CD1-CB 3.81Å; L548-K562 HydrophobicContact CD1-CD 4.3Å; L548-K562 HydrophobicContact CD1-CG 3.95Å; L548-K562 WeakPolarHBondContact O-CE 3.46Å; L548-K562 PolarHBondContact O-NZ 3.03Å; L548-K562 VanDerWaalsContact O-NZ 3.08Å; S550-K562 WeakPolarHBondContact O-CE 3.48Å; S550-K562 PolarHBondContact O-NZ 3.01Å; L552-K562 HydrophobicContact CD1-CG 3.86Å; P558-K562 WeakPolarHBondContact O-CG 3.28Å; P558-K562 PolarHBondContact O-N 2.79Å; S559-K562 PolarHBondContact O-N 3.44Å; K562-I565 PolarHBondContact O-N 3.24Å; K562-V566 WeakPolarHBondContact O-CG2 3.47Å; K562-V566 PolarHBondContact O-N 3.41Å; K562-F595 HydrophobicContact CD-CE1 4.25Å; K562-F595 HydrophobicContact CD-CZ 4.37Å
563	A	91.4	Very high	90.8	Very high	12 Å²	12	42.6 Å²	42.6	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-44.5	174.3	0	0	0	0	0	112.7	S559 A560 V561 I565 V566 K567 H600	S559-A563 PolarHBondContact O-N 3.17Å; A560-A563 WeakPolarHBondContact O-CB 3.44Å; A560-A563 PolarHBondContact O-N 2.9Å; V561-A563 VanDerWaalsContact C-N 3.32Å; V561-A563 PolarHBondContact O-N 3.1Å; A563-I565 VanDerWaalsContact C-N 3.32Å; A563-I565 PolarHBondContact O-N 3.12Å; A563-V566 PolarHBondContact O-N 3.34Å; A563-K567 WeakPolarHBondContact O-CB 3.22Å; A563-K567 PolarHBondContact O-N 2.88Å; A563-H600 HydrophobicContact CB-CB 3.83Å
564	E	92.6	Very high	91	Very high	49 Å²	49	40.3 Å²	40.3	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-37.6	176.3	-64.9	-67	-177.9	0	0	111.8	C517 S521 A560 V561 K567 T568	C517-E564 HydrophobicContact CB-CB 4.2Å; S521-E564 WeakPolarHBondContact CB-OE2 3.36Å; S521-E564 PolarHBondContact OG-OE2 2.76Å; A560-E564 WeakPolarHBondContact O-CG 3.27Å; A560-E564 PolarHBondContact O-N 3.39Å; V561-E564 PolarHBondContact O-N 3.27Å; E564-K567 PolarHBondContact O-N 3.4Å; E564-T568 WeakPolarHBondContact O-CB 3.42Å; E564-T568 PolarHBondContact O-N 2.9Å; E564-T568 PolarHBondContact O-OG1 3.3Å
565	I	94.6	Very high	91.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-49.9	174.5	-67.3	167.2	0	0	0	110.6	C517 L544 L547 L548 V561 K562 A563 K567 T568 L569	C517-I565 HydrophobicContact CB-CG1 4.36Å; L544-I565 HydrophobicContact CB-CG2 3.97Å; L544-I565 HydrophobicContact CD2-CG1 4.16Å; L544-I565 HydrophobicContact CD2-CG2 4.27Å; L547-I565 HydrophobicContact CB-CD1 4.18Å; L547-I565 HydrophobicContact CD2-CD1 3.77Å; L547-I565 HydrophobicContact CG-CD1 3.87Å; L548-I565 HydrophobicContact CB-CG2 4.18Å; L548-I565 HydrophobicContact CD1-CB 4.44Å; L548-I565 HydrophobicContact CD1-CG2 4.26Å; V561-I565 HydrophobicContact CG1-CD1 4.07Å; V561-I565 VanDerWaalsContact O-CG1 3.29Å; V561-I565 WeakPolarHBondContact O-CG1 3.28Å; V561-I565 PolarHBondContact O-N 3Å; K562-I565 PolarHBondContact O-N 3.24Å; A563-I565 VanDerWaalsContact C-N 3.32Å; A563-I565 PolarHBondContact O-N 3.12Å; I565-K567 VanDerWaalsContact C-N 3.32Å; I565-K567 PolarHBondContact O-N 3.4Å; I565-T568 WeakPolarHBondContact O-CB 3.47Å; I565-T568 PolarHBondContact O-N 3.18Å; I565-L569 HydrophobicContact CG2-CD1 4.06Å; I565-L569 HydrophobicContact CG2-CG 4.42Å; I565-L569 WeakPolarHBondContact O-CG 3.4Å; I565-L569 PolarHBondContact O-N 3.34Å
566	V	93.8	Very high	91.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-42.8	179.7	173	0	0	0	0	111	L548 K562 A563 T568 L569 N570 W592 F595	L548-V566 HydrophobicContact CD1-CG2 3.96Å; L548-V566 HydrophobicContact CD2-CG2 4.14Å; K562-V566 WeakPolarHBondContact O-CG2 3.47Å; K562-V566 PolarHBondContact O-N 3.41Å; A563-V566 PolarHBondContact O-N 3.34Å; V566-T568 PolarHBondContact O-N 2.89Å; V566-L569 PolarHBondContact O-N 3.49Å; V566-N570 WeakPolarHBondContact O-CB 3.37Å; V566-N570 PolarHBondContact O-N 3.44Å; V566-N570 PolarHBondContact O-ND2 2.94Å; V566-W592 HydrophobicContact CB-CZ3 4.46Å; V566-W592 HydrophobicContact CG1-CH2 4.07Å; V566-W592 HydrophobicContact CG1-CZ3 4.12Å; V566-W592 HydrophobicContact CG2-CZ3 4.31Å; V566-F595 HydrophobicContact CG2-CB 3.9Å; V566-F595 HydrophobicContact CG2-CD1 4.38Å; V566-F595 HydrophobicContact CG2-CG 4.44Å
567	K	92.7	Very high	92.2	Very high	72 Å²	72	43.6 Å²	43.6	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-46.8	174.7	-174.7	173	176.3	-171.6	0	111.5	S521 E525 A563 E564 I565 L569 N570 C571	S521-K567 WeakPolarHBondContact OG-CD 3.34Å; E525-K567 VanDerWaalsContact CD-CE 3.49Å; E525-K567 WeakPolarHBondContact OE1-CE 3.43Å; E525-K567 IonicContact OE1-NZ 3.55Å; E525-K567 PolarHBondContact OE1-NZ 2.84Å; E525-K567 WeakPolarHBondContact OE2-CE 3.35Å; E525-K567 IonicContact OE2-NZ 3.42Å; E525-K567 PolarHBondContact OE2-NZ 3.48Å; A563-K567 WeakPolarHBondContact O-CB 3.22Å; A563-K567 PolarHBondContact O-N 2.88Å; E564-K567 PolarHBondContact O-N 3.4Å; I565-K567 VanDerWaalsContact C-N 3.32Å; I565-K567 PolarHBondContact O-N 3.4Å; K567-L569 PolarHBondContact O-N 2.78Å; K567-N570 PolarHBondContact O-N 3.24Å; K567-C571 PolarHBondContact O-N 3.03Å; K567-C571 PolarHBondContact O-SG 3.42Å; K567-C571 VanDerWaalsContact O-SG 3.34Å
568	T	94.7	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-49.9	177	-55.4	0	0	0	0	111.7	L520 S521 F524 L544 E564 I565 V566 N570 C571 M572	L520-T568 HydrophobicContact CB-CG2 4.22Å; S521-T568 WeakPolarHBondContact CA-OG1 3.47Å; S521-T568 WeakPolarHBondContact CB-OG1 3.4Å; S521-T568 PolarHBondContact N-OG1 3Å; F524-T568 HydrophobicContact CB-CG2 4.45Å; F524-T568 HydrophobicContact CD2-CG2 3.55Å; F524-T568 HydrophobicContact CE2-CG2 4.17Å; F524-T568 HydrophobicContact CG-CG2 4.22Å; L544-T568 HydrophobicContact CD1-CG2 3.78Å; E564-T568 WeakPolarHBondContact O-CB 3.42Å; E564-T568 PolarHBondContact O-N 2.9Å; E564-T568 PolarHBondContact O-OG1 3.3Å; I565-T568 WeakPolarHBondContact O-CB 3.47Å; I565-T568 PolarHBondContact O-N 3.18Å; V566-T568 PolarHBondContact O-N 2.89Å; T568-N570 VanDerWaalsContact C-N 3.35Å; T568-N570 PolarHBondContact O-N 3.11Å; T568-C571 PolarHBondContact O-N 3.28Å; T568-M572 HydrophobicContact CG2-SD 4.3Å; T568-M572 WeakPolarHBondContact O-CG 3.43Å; T568-M572 PolarHBondContact O-N 3.29Å
569	L	94.9	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-38.8	-179.5	-69.4	177.6	0	0	0	112.2	H541 L544 L545 I565 V566 K567 M572 A573 L586 W592	H541-L569 HydrophobicContact CB-CD2 4.15Å; L544-L569 HydrophobicContact CB-CD1 4.38Å; L544-L569 HydrophobicContact CB-CD2 3.93Å; L544-L569 HydrophobicContact CB-CG 4.3Å; L544-L569 HydrophobicContact CD1-CD2 3.85Å; L544-L569 HydrophobicContact CD1-CG 4.33Å; L545-L569 HydrophobicContact CD2-CD1 3.97Å; L545-L569 HydrophobicContact CG-CD1 4.34Å; I565-L569 HydrophobicContact CG2-CD1 4.06Å; I565-L569 HydrophobicContact CG2-CG 4.42Å; I565-L569 WeakPolarHBondContact O-CG 3.4Å; I565-L569 PolarHBondContact O-N 3.34Å; V566-L569 PolarHBondContact O-N 3.49Å; K567-L569 PolarHBondContact O-N 2.78Å; L569-M572 HydrophobicContact CD2-SD 4.42Å; L569-M572 PolarHBondContact O-N 2.92Å; L569-A573 WeakPolarHBondContact O-CB 3.44Å; L569-A573 PolarHBondContact O-N 2.69Å; L569-L586 HydrophobicContact CB-CD1 4.26Å; L569-L586 HydrophobicContact CB-CD2 4.38Å; L569-L586 HydrophobicContact CD1-CD2 3.97Å; L569-L586 HydrophobicContact CD2-CD2 4.09Å; L569-L586 HydrophobicContact CG-CD2 4.37Å; L569-W592 HydrophobicContact CB-CH2 3.81Å; L569-W592 HydrophobicContact CB-CZ3 3.76Å; L569-W592 HydrophobicContact CD1-CE3 3.91Å; L569-W592 HydrophobicContact CD1-CZ3 3.65Å; L569-W592 HydrophobicContact CG-CZ3 4.36Å
570	N	93	Very high	92.8	Very high	72 Å²	72	47.8 Å²	47.8	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-44.3	173.7	-79.3	-30.5	0	0	0	112.1	V566 K567 T568 M572 A573 A574 W592	V566-N570 WeakPolarHBondContact O-CB 3.37Å; V566-N570 PolarHBondContact O-N 3.44Å; V566-N570 PolarHBondContact O-ND2 2.94Å; K567-N570 PolarHBondContact O-N 3.24Å; T568-N570 VanDerWaalsContact C-N 3.35Å; T568-N570 PolarHBondContact O-N 3.11Å; N570-M572 VanDerWaalsContact C-N 3.31Å; N570-M572 PolarHBondContact O-N 2.95Å; N570-A573 PolarHBondContact O-N 3.39Å; N570-A574 WeakPolarHBondContact O-CB 3.41Å; N570-A574 PolarHBondContact O-N 3.04Å; N570-W592 WeakPolarHBondContact OD1-CH2 3.49Å; N570-W592 VanDerWaalsContact OD1-CZ2 3.3Å; N570-W592 WeakPolarHBondContact OD1-CZ2 3.31Å
571	C	93.1	Very high	93	Very high	34 Å²	34	51 Å²	51	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-41.5	174.9	-69.8	0	0	0	0	111.7	F524 K567 T568 A574	F524-C571 HydrophobicContact CB-CB 3.92Å; K567-C571 PolarHBondContact O-N 3.03Å; K567-C571 PolarHBondContact O-SG 3.42Å; K567-C571 VanDerWaalsContact O-SG 3.34Å; T568-C571 PolarHBondContact O-N 3.28Å; C571-A574 PolarHBondContact O-N 3.45Å
572	M	94.7	Very high	93.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-43.2	175.9	-67.8	176.5	63.4	0	0	112.4	F524 V532 A535 H541 T568 L569 N570 A574 C575 G579 V582	F524-M572 HydrophobicContact CD1-CG 3.69Å; F524-M572 HydrophobicContact CE1-CG 3.94Å; F524-M572 HydrophobicContact CE1-SD 4.35Å; F524-M572 HydrophobicContact CG-CG 4.03Å; F524-M572 HydrophobicContact CZ-CG 4.49Å; F524-M572 HydrophobicContact CZ-SD 4.36Å; V532-M572 HydrophobicContact CG1-CB 4.34Å; A535-M572 HydrophobicContact CB-CE 3.41Å; A535-M572 VanDerWaalsContact CB-CE 3.41Å; A535-M572 HydrophobicContact CB-SD 4.3Å; H541-M572 HydrophobicContact CB-CE 3.78Å; T568-M572 HydrophobicContact CG2-SD 4.3Å; T568-M572 WeakPolarHBondContact O-CG 3.43Å; T568-M572 PolarHBondContact O-N 3.29Å; L569-M572 HydrophobicContact CD2-SD 4.42Å; L569-M572 PolarHBondContact O-N 2.92Å; N570-M572 VanDerWaalsContact C-N 3.31Å; N570-M572 PolarHBondContact O-N 2.95Å; M572-A574 VanDerWaalsContact C-N 3.3Å; M572-A574 PolarHBondContact O-N 3.45Å; M572-C575 WeakPolarHBondContact O-CB 3.43Å; M572-C575 PolarHBondContact O-N 2.92Å; M572-G579 WeakPolarHBondContact O-CA 3.5Å; M572-V582 HydrophobicContact CB-CG1 3.99Å; M572-V582 HydrophobicContact CB-CG2 4.38Å; M572-V582 HydrophobicContact CE-CG2 4.28Å
573	A	93.3	Very high	93.1	Very high	29 Å²	29	50.7 Å²	50.7	24%	0.24	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-26.6	178.4	0	0	0	0	0	113.3	L569 N570 C575 G579 V582 A583 L586	L569-A573 WeakPolarHBondContact O-CB 3.44Å; L569-A573 PolarHBondContact O-N 2.69Å; N570-A573 PolarHBondContact O-N 3.39Å; A573-C575 VanDerWaalsContact C-N 3.26Å; A573-C575 PolarHBondContact O-N 3Å; A573-G579 CarbonylContact O-C 2.96Å; A573-G579 WeakPolarHBondContact O-CA 3.42Å; A573-V582 HydrophobicContact CB-CG1 4.41Å; A573-A583 HydrophobicContact CB-CB 4.45Å; A573-L586 HydrophobicContact CB-CD1 4.03Å
574	A	93	Very high	93.2	Very high	80 Å²	80	52.8 Å²	52.8	66%	0.661	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.7	175.6	0	0	0	0	0	113.8	N570 C571 M572 E576	N570-A574 WeakPolarHBondContact O-CB 3.41Å; N570-A574 PolarHBondContact O-N 3.04Å; C571-A574 PolarHBondContact O-N 3.45Å; M572-A574 VanDerWaalsContact C-N 3.3Å; M572-A574 PolarHBondContact O-N 3.45Å; A574-E576 PolarHBondContact O-N 3.01Å
575	C	92.6	Very high	93.2	Very high	17 Å²	17	52.5 Å²	52.5	12%	0.115	29%	0.288	C	S	.	.			trans	-62.7	129.2	179.2	-179.7	0	0	0	0	111.9	V532 M572 A573 L577 G579	V532-C575 HydrophobicContact CB-CB 4.33Å; V532-C575 HydrophobicContact CG1-CB 4.16Å; V532-C575 HydrophobicContact CG2-CB 3.93Å; M572-C575 WeakPolarHBondContact O-CB 3.43Å; M572-C575 PolarHBondContact O-N 2.92Å; A573-C575 VanDerWaalsContact C-N 3.26Å; A573-C575 PolarHBondContact O-N 3Å; C575-L577 VanDerWaalsContact C-N 3.31Å; C575-L577 PolarHBondContact O-N 3Å; C575-G579 WeakPolarHBondContact O-CA 3.46Å; C575-G579 PolarHBondContact O-N 2.85Å
576	E	91	Very high	93.1	Very high	189 Å²	189	52.6 Å²	52.6	88%	0.883	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.4	-176.9	-63.9	-176	167	0	0	113.8	A574	A574-E576 PolarHBondContact O-N 3.01Å
577	L	92.2	Very high	92.9	Very high	126 Å²	126	58.1 Å²	58.1	66%	0.66	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-41.2	-173.6	-63.2	-179.3	0	0	0	113.4	C575	C575-L577 VanDerWaalsContact C-N 3.31Å; C575-L577 PolarHBondContact O-N 3Å
578	F	93.3	Very high	92.9	Very high	65 Å²	65	62.9 Å²	62.9	29%	0.285	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-3.8	-171.6	-58.1	-73.3	0	0	0	113.3	S529 V532 A533 I536 Q580 E581 V582	S529-F578 WeakPolarHBondContact O-CD2 3.41Å; S529-F578 WeakPolarHBondContact O-CE2 3.35Å; V532-F578 HydrophobicContact CB-CB 4.46Å; V532-F578 HydrophobicContact CG1-CB 3.83Å; A533-F578 HydrophobicContact CB-CD2 4.12Å; A533-F578 HydrophobicContact CB-CE1 4.31Å; A533-F578 HydrophobicContact CB-CE2 3.69Å; A533-F578 HydrophobicContact CB-CZ 3.8Å; I536-F578 HydrophobicContact CD1-CB 3.78Å; I536-F578 HydrophobicContact CD1-CD1 4.43Å; I536-F578 HydrophobicContact CD1-CG 4.34Å; F578-Q580 VanDerWaalsContact C-N 3.31Å; F578-Q580 PolarHBondContact O-N 3.34Å; F578-E581 WeakPolarHBondContact O-CB 3.28Å; F578-E581 PolarHBondContact O-N 2.7Å; F578-E581 VanDerWaalsContact O-N 3.12Å; F578-V582 PolarHBondContact O-N 3.36Å
579	G	91.4	Very high	92.7	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-34.1	-174.3	0	0	0	0	0	113.6	M572 A573 C575 E581 V582 A583	M572-G579 WeakPolarHBondContact O-CA 3.5Å; A573-G579 CarbonylContact O-C 2.96Å; A573-G579 WeakPolarHBondContact O-CA 3.42Å; C575-G579 WeakPolarHBondContact O-CA 3.46Å; C575-G579 PolarHBondContact O-N 2.85Å; G579-E581 VanDerWaalsContact C-N 3.34Å; G579-E581 PolarHBondContact O-N 3.15Å; G579-V582 PolarHBondContact O-N 3.01Å; G579-A583 WeakPolarHBondContact O-CB 3.49Å; G579-A583 PolarHBondContact O-N 3.24Å
580	Q	92.6	Very high	92.4	Very high	178 Å²	178	69 Å²	69	83%	0.832	38%	0.378	S	S	*	.	H	α-helix	trans	-63.9	-38.6	175.1	-68.8	-172.2	-1	0	0	112.6	F578 S584	F578-Q580 VanDerWaalsContact C-N 3.31Å; F578-Q580 PolarHBondContact O-N 3.34Å; Q580-S584 WeakPolarHBondContact O-CB 3.49Å; Q580-S584 PolarHBondContact O-N 3.49Å
581	E	93.6	Very high	92.2	Very high	101 Å²	101	67.1 Å²	67.1	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-48.6	177.3	-173.9	176.4	169.7	0	0	110.1	I536 F578 G579 S584 V585	I536-E581 HydrophobicContact CD1-CB 4.45Å; I536-E581 HydrophobicContact CD1-CG 4.43Å; F578-E581 WeakPolarHBondContact O-CB 3.28Å; F578-E581 PolarHBondContact O-N 2.7Å; F578-E581 VanDerWaalsContact O-N 3.12Å; G579-E581 VanDerWaalsContact C-N 3.34Å; G579-E581 PolarHBondContact O-N 3.15Å; E581-S584 PolarHBondContact O-N 2.94Å; E581-S584 PolarHBondContact O-OG 3.49Å; E581-V585 PolarHBondContact O-N 3.36Å
582	V	93.6	Very high	92.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-50	175.6	-179.8	0	0	0	0	110.9	V532 I536 H541 M572 A573 F578 G579 S584 V585 L586	V532-V582 HydrophobicContact CG1-CG2 4.01Å; I536-V582 HydrophobicContact CD1-CG2 3.85Å; I536-V582 HydrophobicContact CG1-CG2 3.97Å; H541-V582 HydrophobicContact CB-CG1 4.48Å; M572-V582 HydrophobicContact CB-CG1 3.99Å; M572-V582 HydrophobicContact CB-CG2 4.38Å; M572-V582 HydrophobicContact CE-CG2 4.28Å; A573-V582 HydrophobicContact CB-CG1 4.41Å; F578-V582 PolarHBondContact O-N 3.36Å; G579-V582 PolarHBondContact O-N 3.01Å; V582-S584 PolarHBondContact O-N 3.31Å; V582-V585 PolarHBondContact O-N 3.18Å; V582-L586 HydrophobicContact CG1-CD1 3.89Å; V582-L586 HydrophobicContact CG1-CG 4.13Å; V582-L586 WeakPolarHBondContact O-CG 3.48Å; V582-L586 PolarHBondContact O-N 3.28Å
583	A	92.4	Very high	91.7	Very high	35 Å²	35	67.9 Å²	67.9	29%	0.289	38%	0.38	S	S	.	.	H	α-helix	trans	-57.9	-37.6	179	0	0	0	0	0	112.1	A573 G579 V585 L586 E587	A573-A583 HydrophobicContact CB-CB 4.45Å; G579-A583 WeakPolarHBondContact O-CB 3.49Å; G579-A583 PolarHBondContact O-N 3.24Å; A583-V585 VanDerWaalsContact C-N 3.29Å; A583-V585 PolarHBondContact O-N 3.07Å; A583-L586 PolarHBondContact O-N 3.2Å; A583-E587 WeakPolarHBondContact O-CB 3.47Å; A583-E587 WeakPolarHBondContact O-CG 3.19Å; A583-E587 PolarHBondContact O-N 3.41Å
584	S	93.2	Very high	91.3	Very high	56 Å²	56	73 Å²	73	39%	0.392	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-29.8	177.4	82.9	0	0	0	0	113.6	Q580 E581 V582 K588	Q580-S584 WeakPolarHBondContact O-CB 3.49Å; Q580-S584 PolarHBondContact O-N 3.49Å; E581-S584 PolarHBondContact O-N 2.94Å; E581-S584 PolarHBondContact O-OG 3.49Å; V582-S584 PolarHBondContact O-N 3.31Å; S584-K588 WeakPolarHBondContact O-CD 3.36Å; S584-K588 WeakPolarHBondContact O-CG 3.35Å
585	V	92.7	Very high	91	Very high	43 Å²	43	70.6 Å²	70.6	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-79.1	-43	174.4	180	0	0	0	0	110.1	I542 E581 V582 A583 K588	I542-V585 HydrophobicContact CG1-CG1 4.35Å; E581-V585 PolarHBondContact O-N 3.36Å; V582-V585 PolarHBondContact O-N 3.18Å; A583-V585 VanDerWaalsContact C-N 3.29Å; A583-V585 PolarHBondContact O-N 3.07Å; V585-K588 PolarHBondContact O-N 3.18Å
586	L	92.5	Very high	90.3	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-60.7	-46.5	178.4	-67.4	-179.6	0	0	0	112.2	L545 L569 A573 V582 A583 K588 S589 W592	L545-L586 HydrophobicContact CD1-CD2 4.02Å; L545-L586 HydrophobicContact CD2-CD2 3.84Å; L545-L586 HydrophobicContact CG-CD2 4.06Å; L569-L586 HydrophobicContact CB-CD1 4.26Å; L569-L586 HydrophobicContact CB-CD2 4.38Å; L569-L586 HydrophobicContact CD1-CD2 3.97Å; L569-L586 HydrophobicContact CD2-CD2 4.09Å; L569-L586 HydrophobicContact CG-CD2 4.37Å; A573-L586 HydrophobicContact CB-CD1 4.03Å; V582-L586 HydrophobicContact CG1-CD1 3.89Å; V582-L586 HydrophobicContact CG1-CG 4.13Å; V582-L586 WeakPolarHBondContact O-CG 3.48Å; V582-L586 PolarHBondContact O-N 3.28Å; A583-L586 PolarHBondContact O-N 3.2Å; L586-K588 PolarHBondContact O-N 2.7Å; L586-S589 WeakPolarHBondContact O-CB 3.46Å; L586-S589 PolarHBondContact O-N 3.34Å; L586-W592 HydrophobicContact CB-CD2 4.23Å; L586-W592 HydrophobicContact CB-CG 3.93Å; L586-W592 HydrophobicContact CD1-CD2 4.44Å; L586-W592 HydrophobicContact CD1-CZ2 4.03Å; L586-W592 HydrophobicContact CD2-CD2 4.16Å; L586-W592 HydrophobicContact CD2-CE3 4.32Å; L586-W592 HydrophobicContact CD2-CG 4.39Å; L586-W592 VanDerWaalsContact O-CB 3.3Å; L586-W592 WeakPolarHBondContact O-CB 3.48Å
587	E	91.4	Very high	89.5	Confident	119 Å²	119	70.6 Å²	70.6	56%	0.556	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.9	179.8	-71.4	-64.9	154.1	0	0	113.8	A583 K596	A583-E587 WeakPolarHBondContact O-CB 3.47Å; A583-E587 WeakPolarHBondContact O-CG 3.19Å; A583-E587 PolarHBondContact O-N 3.41Å; E587-K596 IonicContact OE1-NZ 3.07Å; E587-K596 PolarHBondContact OE1-NZ 3.38Å; E587-K596 VanDerWaalsContact OE1-NZ 3.07Å; E587-K596 IonicContact OE2-NZ 3.01Å; E587-K596 PolarHBondContact OE2-NZ 3.5Å
588	K	91.4	Very high	88.3	Confident	173 Å²	173	69.2 Å²	69.2	75%	0.752	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-15	171.3	-70	172	-172.3	170.4	0	112.9	S584 V585 L586	S584-K588 WeakPolarHBondContact O-CD 3.36Å; S584-K588 WeakPolarHBondContact O-CG 3.35Å; V585-K588 PolarHBondContact O-N 3.18Å; L586-K588 PolarHBondContact O-N 2.7Å
589	S	90.9	Very high	86.7	Confident	26 Å²	26	74.4 Å²	74.4	18%	0.182	39%	0.388	C	S	.	.			trans	-84.5	123.3	-177.9	179.8	0	0	0	0	110.9	L586 V591 W592 G593	L586-S589 WeakPolarHBondContact O-CB 3.46Å; L586-S589 PolarHBondContact O-N 3.34Å; S589-V591 PolarHBondContact O-N 3.03Å; S589-V591 PolarHBondContact OG-N 3.22Å; S589-W592 PolarHBondContact O-N 3.18Å; S589-W592 PolarHBondContact OG-N 3.34Å; S589-G593 PolarHBondContact O-N 2.91Å
590	S	88.9	Confident	85.1	Confident	103 Å²	103	75.6 Å²	75.6	72%	0.72	39%	0.393	S	S	*	.	H	α-helix	trans	-61.7	-34.6	173	56.5	0	0	0	0	111.9	G593	S590-G593 PolarHBondContact O-N 3.11Å
591	V	89.4	Confident	83.2	Confident	31 Å²	31	73.2 Å²	73.2	19%	0.188	39%	0.386	C	S	.	.	H	α-helix	trans	-65.9	-44.1	179.5	-176.2	0	0	0	0	110.2	L548 A549 S589 G593 E594 F595	L548-V591 HydrophobicContact CB-CG1 4.43Å; L548-V591 HydrophobicContact CD2-CG1 4.24Å; L548-V591 HydrophobicContact CG-CG1 4.24Å; A549-V591 HydrophobicContact CB-CG1 4.07Å; A549-V591 HydrophobicContact CB-CG2 3.9Å; S589-V591 PolarHBondContact O-N 3.03Å; S589-V591 PolarHBondContact OG-N 3.22Å; V591-G593 VanDerWaalsContact C-N 3.27Å; V591-G593 PolarHBondContact O-N 3.08Å; V591-E594 PolarHBondContact O-N 3.4Å; V591-E594 VanDerWaalsContact O-N 3.11Å; V591-F595 HydrophobicContact CG1-CD2 4.23Å; V591-F595 HydrophobicContact CG1-CE2 4.19Å; V591-F595 WeakPolarHBondContact O-CD2 3.46Å
592	W	91.3	Very high	81.1	Confident	9 Å²	9	75.8 Å²	75.8	3%	0.034	40%	0.402	C	S	.	.	H	α-helix	trans	-60.5	-37.2	-178.7	-177	-114.7	0	0	0	112.6	L545 L548 V566 L569 N570 L586 S589 E594 F595 K596	L545-W592 HydrophobicContact CD2-CB 3.99Å; L545-W592 HydrophobicContact CD2-CE3 4.3Å; L548-W592 HydrophobicContact CD2-CE3 4.43Å; V566-W592 HydrophobicContact CB-CZ3 4.46Å; V566-W592 HydrophobicContact CG1-CH2 4.07Å; V566-W592 HydrophobicContact CG1-CZ3 4.12Å; V566-W592 HydrophobicContact CG2-CZ3 4.31Å; L569-W592 HydrophobicContact CB-CH2 3.81Å; L569-W592 HydrophobicContact CB-CZ3 3.76Å; L569-W592 HydrophobicContact CD1-CE3 3.91Å; L569-W592 HydrophobicContact CD1-CZ3 3.65Å; L569-W592 HydrophobicContact CG-CZ3 4.36Å; N570-W592 WeakPolarHBondContact OD1-CH2 3.49Å; N570-W592 VanDerWaalsContact OD1-CZ2 3.3Å; N570-W592 WeakPolarHBondContact OD1-CZ2 3.31Å; L586-W592 HydrophobicContact CB-CD2 4.23Å; L586-W592 HydrophobicContact CB-CG 3.93Å; L586-W592 HydrophobicContact CD1-CD2 4.44Å; L586-W592 HydrophobicContact CD1-CZ2 4.03Å; L586-W592 HydrophobicContact CD2-CD2 4.16Å; L586-W592 HydrophobicContact CD2-CE3 4.32Å; L586-W592 HydrophobicContact CD2-CG 4.39Å; L586-W592 VanDerWaalsContact O-CB 3.3Å; L586-W592 WeakPolarHBondContact O-CB 3.48Å; S589-W592 PolarHBondContact O-N 3.18Å; S589-W592 PolarHBondContact OG-N 3.34Å; W592-E594 PolarHBondContact O-N 3.18Å; W592-E594 VanDerWaalsContact O-N 3.16Å; W592-F595 PolarHBondContact O-N 2.91Å; W592-F595 VanDerWaalsContact O-N 3.09Å; W592-K596 HydrophobicContact CD2-CB 4.16Å; W592-K596 HydrophobicContact CG-CB 4.43Å; W592-K596 HydrophobicContact CZ2-CB 3.96Å; W592-K596 WeakPolarHBondContact O-CB 3.27Å; W592-K596 PolarHBondContact O-N 3.29Å
593	G	85.2	Confident	79	Confident	42 Å²	42	81.2 Å²	81.2	43%	0.433	43%	0.426	S	S	.	.	H	α-helix	trans	-56.2	-29.7	176.9	0	0	0	0	0	114.1	S589 S590 V591	S589-G593 PolarHBondContact O-N 2.91Å; S590-G593 PolarHBondContact O-N 3.11Å; V591-G593 VanDerWaalsContact C-N 3.27Å; V591-G593 PolarHBondContact O-N 3.08Å
594	E	84.9	Confident	76.6	Confident	137 Å²	137	85.1 Å²	85.1	64%	0.64	44%	0.441	S	S	*	.	H	α-helix	trans	-79.8	-27.4	179.3	-62.2	-179.5	178.9	0	0	113.2	V591 W592 Q598	V591-E594 PolarHBondContact O-N 3.4Å; V591-E594 VanDerWaalsContact O-N 3.11Å; W592-E594 PolarHBondContact O-N 3.18Å; W592-E594 VanDerWaalsContact O-N 3.16Å; E594-Q598 PolarHBondContact O-NE2 2.84Å
595	F	85.7	Confident	73.7	Confident	29 Å²	29	87.1 Å²	87.1	13%	0.127	46%	0.455	C	S	.	.	H	α-helix	trans	-106.8	-21.3	-171.9	-71.7	-89.2	0	0	0	114.2	L548 K562 V566 V591 W592 D597 Q598	L548-F595 HydrophobicContact CD1-CD1 4.07Å; L548-F595 HydrophobicContact CD1-CD2 4.43Å; L548-F595 HydrophobicContact CD1-CE1 4.17Å; L548-F595 HydrophobicContact CD1-CG 4.21Å; L548-F595 HydrophobicContact CD1-CZ 4.41Å; L548-F595 HydrophobicContact CD2-CB 4.07Å; L548-F595 HydrophobicContact CD2-CD2 3.86Å; L548-F595 HydrophobicContact CD2-CE2 4.5Å; L548-F595 HydrophobicContact CD2-CG 3.92Å; L548-F595 HydrophobicContact CG-CD1 4.5Å; L548-F595 HydrophobicContact CG-CD2 3.99Å; L548-F595 HydrophobicContact CG-CE2 4.14Å; L548-F595 HydrophobicContact CG-CG 4.19Å; L548-F595 HydrophobicContact CG-CZ 4.45Å; K562-F595 HydrophobicContact CD-CE1 4.25Å; K562-F595 HydrophobicContact CD-CZ 4.37Å; V566-F595 HydrophobicContact CG2-CB 3.9Å; V566-F595 HydrophobicContact CG2-CD1 4.38Å; V566-F595 HydrophobicContact CG2-CG 4.44Å; V591-F595 HydrophobicContact CG1-CD2 4.23Å; V591-F595 HydrophobicContact CG1-CE2 4.19Å; V591-F595 WeakPolarHBondContact O-CD2 3.46Å; W592-F595 PolarHBondContact O-N 2.91Å; W592-F595 VanDerWaalsContact O-N 3.09Å; F595-D597 VanDerWaalsContact C-N 3.31Å; F595-D597 PolarHBondContact O-N 3.28Å; F595-Q598 PolarHBondContact O-N 3.04Å
596	K	78.7	Confident	70.7	Confident	71 Å²	71	89.4 Å²	89.4	31%	0.309	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.1	-170.2	72.5	-178.5	-170.4	175.2	0	114.8	E587 W592	E587-K596 IonicContact OE1-NZ 3.07Å; E587-K596 PolarHBondContact OE1-NZ 3.38Å; E587-K596 VanDerWaalsContact OE1-NZ 3.07Å; E587-K596 IonicContact OE2-NZ 3.01Å; E587-K596 PolarHBondContact OE2-NZ 3.5Å; W592-K596 HydrophobicContact CD2-CB 4.16Å; W592-K596 HydrophobicContact CG-CB 4.43Å; W592-K596 HydrophobicContact CZ2-CB 3.96Å; W592-K596 WeakPolarHBondContact O-CB 3.27Å; W592-K596 PolarHBondContact O-N 3.29Å
597	D	73.7	Confident	68	Low	135 Å²	135	91.9 Å²	91.9	72%	0.722	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.8	-176.9	-63.6	-48.1	0	0	0	113.3	F595 K599	F595-D597 VanDerWaalsContact C-N 3.31Å; F595-D597 PolarHBondContact O-N 3.28Å; D597-K599 PolarHBondContact O-N 2.86Å
598	Q	68.4	Low	65.2	Low	96 Å²	96	88.1 Å²	88.1	45%	0.449	48%	0.475	S	S	.	.			trans	-74.5	119.5	-179.8	-65	-174.1	24	0	0	110.1	E594 F595 H600	E594-Q598 PolarHBondContact O-NE2 2.84Å; F595-Q598 PolarHBondContact O-N 3.04Å; Q598-H600 PolarHBondContact O-CE1 3.29Å; Q598-H600 PolarHBondContact O-N 3.27Å; Q598-H600 PolarHBondContact O-ND1 3.4Å
599	K	58.6	Low	62.9	Low	175 Å²	175	83.1 Å²	83.1	76%	0.761	45%	0.454	S	S	*	.			trans	-73.7	94.6	169.6	-70.9	-173.9	176.9	-177.3	0	109.3	D597 D601	D597-K599 PolarHBondContact O-N 2.86Å; K599-D601 PolarHBondContact O-N 3.26Å
600	H	57.5	Low	60.5	Low	26 Å²	26	83 Å²	83	12%	0.12	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-73.6	-1.5	-178.1	-65.9	85.1	0	0	0	114	A563 Q598 L602 F603	A563-H600 HydrophobicContact CB-CB 3.83Å; Q598-H600 PolarHBondContact O-CE1 3.29Å; Q598-H600 PolarHBondContact O-N 3.27Å; Q598-H600 PolarHBondContact O-ND1 3.4Å; H600-L602 PolarHBondContact O-N 3.34Å; H600-F603 PolarHBondContact O-N 3.43Å
601	D	54.4	Low	58.1	Low	129 Å²	129	87.4 Å²	87.4	69%	0.69	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-56.3	-22	179	-60.7	-27.4	0	0	0	113.3	K599 F603	K599-D601 PolarHBondContact O-N 3.26Å; D601-F603 VanDerWaalsContact C-N 3.33Å; D601-F603 PolarHBondContact O-N 3.19Å
602	L	48.5	Very low	55.9	Low	155 Å²	155	90 Å²	90	81%	0.812	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-75.2	-15.5	177.7	-76.4	159.4	0	0	0	114.3	H600	H600-L602 PolarHBondContact O-N 3.34Å
603	F	50.1	Low	53.4	Low	113 Å²	113	91 Å²	91	50%	0.496	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-101.4	-3.6	-178.4	-66.7	-74.9	0	0	0	114.1	H600 D601 S605	H600-F603 PolarHBondContact O-N 3.43Å; D601-F603 VanDerWaalsContact C-N 3.33Å; D601-F603 PolarHBondContact O-N 3.19Å; F603-S605 PolarHBondContact O-N 3.37Å
604	I	41.9	Very low	50.8	Low	118 Å²	118	94.1 Å²	94.1	61%	0.605	48%	0.479	S	S	*	.			trans	-81.8	56.4	175.9	-42.2	178.9	0	0	0	109.6	C606	I604-C606 PolarHBondContact O-N 3.41Å
605	S	31.6	Very low	48.2	Very low	97 Å²	97	92.7 Å²	92.7	68%	0.678	48%	0.484	S	S	*	.			trans	-76.5	111.9	156.4	46.5	0	0	0	0	105.8	F603 P607	F603-S605 PolarHBondContact O-N 3.37Å; S605-P607 WeakPolarHBondContact O-CD 3.25Å
606	C	30.5	Very low	45.5	Very low	91 Å²	91	94.3 Å²	94.3	62%	0.615	49%	0.493	S	S	*	.			trans	-41.9	107.4	177.3	-172.4	0	0	0	0	109.1	I604 S608	I604-C606 PolarHBondContact O-N 3.41Å; C606-S608 VanDerWaalsContact C-N 3.27Å; C606-S608 PolarHBondContact O-N 3.44Å
607	P	34.5	Very low	43.1	Very low	55 Å²	55	100.5 Å²	100.5	36%	0.357	52%	0.52	S	S	.	.			trans	-68.8	104	167.6	2.1	13.2	0	0	0	102.6	S605 Q609 F612	S605-P607 WeakPolarHBondContact O-CD 3.25Å; P607-Q609 WeakPolarHBondContact O-CA 3.3Å; P607-Q609 PolarHBondContact O-N 2.96Å; P607-F612 HydrophobicContact CB-CZ 4.25Å
608	S	34.1	Very low	41.1	Very low	40 Å²	40	98.3 Å²	98.3	28%	0.28	51%	0.507	S	S	.	.			trans	-26.3	110	174.3	44.6	0	0	0	0	108.6	C606 M610 R611	C606-S608 VanDerWaalsContact C-N 3.27Å; C606-S608 PolarHBondContact O-N 3.44Å; S608-M610 PolarHBondContact O-N 3.2Å; S608-R611 PolarHBondContact O-N 3.15Å; S608-R611 VanDerWaalsContact OG-CD 3.27Å; S608-R611 WeakPolarHBondContact OG-CD 3.49Å; S608-R611 VanDerWaalsContact OG-CG 3.25Å; S608-R611 WeakPolarHBondContact OG-CG 3.29Å; S608-R611 PolarHBondContact OG-NE 3.34Å
609	Q	41.8	Very low	39.2	Very low	67 Å²	67	99.3 Å²	99.3	31%	0.313	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	10.6	-162.9	-67	-177.9	0.6	0	0	114.5	H443 P607	H443-Q609 PolarHBondContact CE1-OE1 3.37Å; H443-Q609 VanDerWaalsContact CE1-OE1 3.26Å; H443-Q609 PolarHBondContact ND1-OE1 3.27Å; P607-Q609 WeakPolarHBondContact O-CA 3.3Å; P607-Q609 PolarHBondContact O-N 2.96Å
610	M	40.9	Very low	37.6	Very low	24 Å²	24	96.8 Å²	96.8	12%	0.118	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	0.6	178.3	-65.6	-176.7	-152.3	0	0	114.5	L440 S608 F612 M616 L618	L440-M610 HydrophobicContact CD2-CE 3.43Å; L440-M610 VanDerWaalsContact CD2-CE 3.43Å; L440-M610 HydrophobicContact CD2-CG 3.96Å; L440-M610 HydrophobicContact CD2-SD 3.34Å; L440-M610 WeakPolarHBondContact CD2-SD 3.24Å; S608-M610 PolarHBondContact O-N 3.2Å; M610-F612 VanDerWaalsContact C-N 3.26Å; M610-F612 PolarHBondContact O-N 2.93Å; M610-M616 HydrophobicContact SD-CE 3.88Å; M610-L618 HydrophobicContact CB-CD1 3.9Å; M610-L618 HydrophobicContact CE-CD1 4.41Å; M610-L618 HydrophobicContact CE-CD2 4.41Å; M610-L618 HydrophobicContact CG-CD1 4.17Å; M610-L618 HydrophobicContact SD-CD1 3.54Å; M610-L618 VanDerWaalsContact SD-CD1 3.54Å; M610-L618 HydrophobicContact SD-CD2 4Å; M610-L618 HydrophobicContact SD-CG 4.22Å
611	R	38.5	Very low	36.3	Very low	196 Å²	196	99.3 Å²	99.3	74%	0.74	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-16.1	178.2	-89.4	-175.1	-154.6	-173	5.9	114.4	S608 L613	S608-R611 PolarHBondContact O-N 3.15Å; S608-R611 VanDerWaalsContact OG-CD 3.27Å; S608-R611 WeakPolarHBondContact OG-CD 3.49Å; S608-R611 VanDerWaalsContact OG-CG 3.25Å; S608-R611 WeakPolarHBondContact OG-CG 3.29Å; S608-R611 PolarHBondContact OG-NE 3.34Å; R611-L613 PolarHBondContact O-N 3.1Å; R611-L613 VanDerWaalsContact O-N 3.09Å
612	F	43.6	Very low	34.8	Very low	84 Å²	84	100.5 Å²	100.5	37%	0.368	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	5.7	178.1	-56	-69.9	0	0	0	113.9	H514 P607 M610	H514-F612 AromaticContact CD2-CD1 3.52Å; H514-F612 AromaticContact CD2-CE1 3.2Å; H514-F612 WeakPolarHBondContact CD2-CE1 3.45Å; H514-F612 AromaticContact CD2-CZ 4Å; H514-F612 AromaticContact NE2-CD1 3.14Å; H514-F612 WeakPolarHBondContact NE2-CD1 3.33Å; H514-F612 AromaticContact NE2-CE1 3.39Å; H514-F612 WeakPolarHBondContact NE2-CE1 3.42Å; P607-F612 HydrophobicContact CB-CZ 4.25Å; M610-F612 VanDerWaalsContact C-N 3.26Å; M610-F612 PolarHBondContact O-N 2.93Å
613	L	37.8	Very low	34	Very low	31 Å²	31	102.3 Å²	102.3	16%	0.162	56%	0.56	C	S	.	*	S	Bend	trans	-121.5	122.9	176.1	-68.2	157.4	0	0	0	107.1	K436 R611 S615	K436-L613 HydrophobicContact CB-CD1 3.77Å; K436-L613 HydrophobicContact CB-CD2 3.91Å; K436-L613 HydrophobicContact CB-CG 4.43Å; K436-L613 HydrophobicContact CD-CB 4.22Å; K436-L613 HydrophobicContact CD-CD1 3.76Å; K436-L613 HydrophobicContact CD-CD2 4.34Å; K436-L613 HydrophobicContact CD-CG 4.33Å; K436-L613 HydrophobicContact CG-CD1 3.51Å; K436-L613 HydrophobicContact CG-CD2 4.41Å; K436-L613 HydrophobicContact CG-CG 4.45Å; R611-L613 PolarHBondContact O-N 3.1Å; R611-L613 VanDerWaalsContact O-N 3.09Å; L613-S615 PolarHBondContact O-N 3.25Å
614	P	31.5	Very low	32.8	Very low	107 Å²	107	105.6 Å²	105.6	70%	0.695	60%	0.597	S	S	*	*	S	Bend	trans	-56.3	129.4	-178.9	-18.7	29.2	0	0	0	109.7
615	S	29.1	Very low	32.3	Very low	107 Å²	107	105 Å²	105	75%	0.748	60%	0.597	S	S	*	*			trans	68.9	90.8	179.6	73.3	0	0	0	0	116.6	L613	L613-S615 PolarHBondContact O-N 3.25Å
616	M	30.3	Very low	32.3	Very low	63 Å²	63	105.4 Å²	105.4	31%	0.31	59%	0.592	S	S	.	*			trans	-159.9	106.3	144.7	-111.8	178.1	64.3	0	0	111.2	M610 L618	M610-M616 HydrophobicContact SD-CE 3.88Å; M616-L618 HydrophobicContact CE-CD1 4.32Å; M616-L618 HydrophobicContact CE-CD2 3.82Å; M616-L618 HydrophobicContact CE-CG 3.78Å; M616-L618 PolarHBondContact O-N 3.41Å
617	K	27.6	Very low	32.5	Very low	202 Å²	202	106.2 Å²	106.2	88%	0.878	59%	0.591	S	S	*	*			trans	-72.1	102.8	155.3	-76.3	-178.7	177.7	177.1	0	106.5	C619	K617-C619 PolarHBondContact O-N 3.18Å
618	L	32.2	Very low	32.3	Very low	88 Å²	88	109.2 Å²	109.2	46%	0.461	61%	0.605	S	S	.	*			trans	-70.3	106	164.1	-78.9	137.1	0	0	0	107.9	M610 M616 C620	M610-L618 HydrophobicContact CB-CD1 3.9Å; M610-L618 HydrophobicContact CE-CD1 4.41Å; M610-L618 HydrophobicContact CE-CD2 4.41Å; M610-L618 HydrophobicContact CG-CD1 4.17Å; M610-L618 HydrophobicContact SD-CD1 3.54Å; M610-L618 VanDerWaalsContact SD-CD1 3.54Å; M610-L618 HydrophobicContact SD-CD2 4Å; M610-L618 HydrophobicContact SD-CG 4.22Å; M616-L618 HydrophobicContact CE-CD1 4.32Å; M616-L618 HydrophobicContact CE-CD2 3.82Å; M616-L618 HydrophobicContact CE-CG 3.78Å; M616-L618 PolarHBondContact O-N 3.41Å; L618-C620 PolarHBondContact O-N 2.97Å
619	C	27.6	Very low	32.2	Very low	118 Å²	118	113.5 Å²	113.5	80%	0.797	63%	0.625	S	S	*	*			trans	-68.2	104.5	159.9	-74.4	0	0	0	0	107.6	K617 A621	K617-C619 PolarHBondContact O-N 3.18Å; C619-A621 VanDerWaalsContact C-N 3.3Å; C619-A621 PolarHBondContact O-N 2.88Å
620	C	26.4	Very low	31.6	Very low	121 Å²	121	116.6 Å²	116.6	82%	0.818	65%	0.646	S	S	*	*			trans	-64	97	156.9	-63.8	0	0	0	0	107.4	L618	L618-C620 PolarHBondContact O-N 2.97Å
621	A	29.9	Very low	30.9	Very low	80 Å²	80	123.2 Å²	123.2	66%	0.661	68%	0.684	S	S	*	*			trans	-87.7	117	161.9	0	0	0	0	0	107.6	C619 F623	C619-A621 VanDerWaalsContact C-N 3.3Å; C619-A621 PolarHBondContact O-N 2.88Å; A621-F623 PolarHBondContact O-N 3.34Å
622	N	23.1	Very low	30.3	Very low	153 Å²	153	117.6 Å²	117.6	82%	0.818	68%	0.68	S	S	*	*			trans	-55.2	128.5	170.6	-63.8	-42.7	0	0	0	110.2
623	F	30.8	Very low	29.2	Very low	194 Å²	194	120.4 Å²	120.4	85%	0.851	71%	0.705	S	S	*	*			trans	-125.2	105.7	154.1	-89.7	-82.4	0	0	0	108	A621	A621-F623 PolarHBondContact O-N 3.34Å
624	S	24.6	Very low	28.5	Very low	181 Å²	181	128.5 Å²	128.5	100%	1.266	76%	0.755	S	S	*	*			trans	-59.3	0	141.5	51.4	0	0	0	0	111.1

Retrieved 624 of 624 residues in 2443.2 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).