A0A3Q0KMV6_SCHMA Loading...

Alpha 1,6 fucosyltransferase K

AlphaFold DB , UniProt , Accession A0A3Q0KMV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 579 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.1	Very low	29.8	Very low	223 Å²	223	144.7 Å²	144.7	100%	1.099	65%	0.654	S	S	*	*				0	121.4	0	-96.8	174	143.2	0	0	109.3	Y3	M1-Y3 PolarHBondContact O-N 3.39Å
2	R	23.2	Very low	30.6	Very low	257 Å²	257	134.5 Å²	134.5	97%	0.97	61%	0.61	S	S	*	*			trans	-57.9	113.5	179	-74	173	175.5	168.8	-2.1	110.4
3	Y	25.1	Very low	31.7	Very low	199 Å²	199	132.8 Å²	132.8	78%	0.78	62%	0.616	S	S	*	*			trans	-125.8	109.6	164.5	-89.2	-81.1	0	0	0	110.4	M1 R5	M1-Y3 PolarHBondContact O-N 3.39Å; Y3-R5 PolarHBondContact O-N 3.11Å; Y3-R5 VanDerWaalsContact O-N 3.09Å
4	S	25.2	Very low	32.7	Very low	104 Å²	104	125.9 Å²	125.9	73%	0.727	59%	0.586	S	S	*	*			trans	-61.9	94.9	160.9	156	0	0	0	0	108.5	K6	S4-K6 PolarHBondContact O-N 3.36Å
5	R	27.3	Very low	33.7	Very low	228 Å²	228	121.5 Å²	121.5	86%	0.86	56%	0.561	S	S	*	*			trans	-85.4	88.9	166.1	-88.2	-176.7	176	179.1	-1	109	Y3	Y3-R5 PolarHBondContact O-N 3.11Å; Y3-R5 VanDerWaalsContact O-N 3.09Å
6	K	26.6	Very low	34.4	Very low	148 Å²	148	116.8 Å²	116.8	64%	0.643	54%	0.541	S	S	*	.			trans	-81.1	136.3	147.5	-73.3	176.5	179.3	169.9	0	106	S4	S4-K6 PolarHBondContact O-N 3.36Å
7	E	29.2	Very low	35.1	Very low	94 Å²	94	111.5 Å²	111.5	44%	0.439	52%	0.52	S	S	.	.			trans	135.7	147	151.7	-73.9	166.1	-141.2	0	0	114.7	L69	E7-L69 HydrophobicContact CG-CB 4.42Å; E7-L69 HydrophobicContact CG-CD1 4.25Å; E7-L69 VanDerWaalsContact OE1-CB 3.28Å; E7-L69 WeakPolarHBondContact OE1-CB 3.33Å; E7-L69 WeakPolarHBondContact OE1-CD2 3.24Å
8	F	31.5	Very low	35.8	Very low	131 Å²	131	108.9 Å²	108.9	58%	0.575	51%	0.51	S	S	*	.			trans	80.6	95.3	-177.8	-103	-97.6	0	0	0	117.2	F10 F70	F8-F10 HydrophobicContact CE1-CD2 4.15Å; F8-F10 AromaticContact CE1-CE2 3.98Å; F8-F10 HydrophobicContact CE1-CE2 3.98Å; F8-F10 HydrophobicContact CZ-CE2 4.48Å; F8-F70 HydrophobicContact CD2-CE1 4.5Å; F8-F70 HydrophobicContact CD2-CZ 4.11Å; F8-F70 AromaticContact CE2-CE1 3.7Å; F8-F70 HydrophobicContact CE2-CE1 3.7Å; F8-F70 AromaticContact CE2-CZ 3.63Å; F8-F70 HydrophobicContact CE2-CZ 3.63Å; F8-F70 HydrophobicContact CZ-CE1 4.35Å; F8-F70 HydrophobicContact CZ-CZ 4.27Å
9	N	36.8	Very low	36.6	Very low	107 Å²	107	103.6 Å²	103.6	57%	0.572	49%	0.486	S	S	*	.			trans	-154.3	103.9	153.6	-103.4	-20.5	0	0	0	111	S11 I524	N9-S11 PolarHBondContact O-OG 3.5Å; N9-S11 VanDerWaalsContact O-OG 3.09Å; N9-I524 WeakPolarHBondContact ND2-CD1 3.37Å
10	F	38.3	Very low	37.1	Very low	69 Å²	69	102 Å²	102	30%	0.303	48%	0.484	S	S	.	.			trans	-64.9	129.9	171.7	-98.2	-98.7	0	0	0	110.4	F8 A103 V107 L158 L162	F8-F10 HydrophobicContact CE1-CD2 4.15Å; F8-F10 AromaticContact CE1-CE2 3.98Å; F8-F10 HydrophobicContact CE1-CE2 3.98Å; F8-F10 HydrophobicContact CZ-CE2 4.48Å; F10-A103 HydrophobicContact CZ-CB 4.19Å; F10-V107 HydrophobicContact CD1-CG2 3.56Å; F10-V107 HydrophobicContact CE1-CG2 3.18Å; F10-V107 HydrophobicContact CZ-CG2 4.22Å; F10-L158 HydrophobicContact CD1-CD1 4.29Å; F10-L158 HydrophobicContact CD1-CD2 3.81Å; F10-L158 HydrophobicContact CD1-CG 4.49Å; F10-L158 HydrophobicContact CE1-CD1 3.59Å; F10-L158 HydrophobicContact CE1-CD2 3.89Å; F10-L158 HydrophobicContact CE1-CG 4.26Å; F10-L158 HydrophobicContact CZ-CD1 4.26Å; F10-L162 HydrophobicContact CE2-CD2 3.94Å; F10-L162 HydrophobicContact CG-CD1 4.49Å; F10-L162 HydrophobicContact CZ-CD2 3.99Å
11	S	37.8	Very low	37.6	Very low	32 Å²	32	100 Å²	100	22%	0.224	48%	0.479	C	S	.	.			trans	-119.2	30.8	-161.6	-8.2	0	0	0	0	112.9	N9 V13 F59	N9-S11 PolarHBondContact O-OG 3.5Å; N9-S11 VanDerWaalsContact O-OG 3.09Å; S11-V13 VanDerWaalsContact C-N 3.31Å; S11-F59 WeakPolarHBondContact OG-CE2 3.39Å; S11-F59 WeakPolarHBondContact OG-CZ 3.35Å
12	V	39.1	Very low	38.8	Very low	22 Å²	22	90.7 Å²	90.7	13%	0.133	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-84.8	-5.9	-178.6	-168	0	0	0	0	112.2	V107 A110 I155 L158	V12-V107 HydrophobicContact CG2-CG2 4.07Å; V12-A110 HydrophobicContact CG1-CB 4.01Å; V12-I155 HydrophobicContact CB-CG1 4.42Å; V12-I155 HydrophobicContact CG1-CD1 3.83Å; V12-I155 HydrophobicContact CG1-CG1 3.44Å; V12-I155 VanDerWaalsContact CG1-CG1 3.44Å; V12-L158 HydrophobicContact CB-CD2 4.46Å; V12-L158 HydrophobicContact CG2-CD2 3.88Å
13	V	44.7	Very low	40.2	Very low	112 Å²	112	80.3 Å²	80.3	68%	0.679	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-91	-0.6	-169.3	-174.4	0	0	0	0	114.3	S11	S11-V13 VanDerWaalsContact C-N 3.31Å
14	L	45.7	Very low	41.5	Very low	37 Å²	37	76.6 Å²	76.6	19%	0.194	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-86.2	-11.7	-169.9	-92.2	146.1	0	0	0	117.4	P565 Y567	L14-P565 HydrophobicContact CD2-CB 4.12Å; L14-Y567 HydrophobicContact CD1-CD1 3.28Å; L14-Y567 HydrophobicContact CD1-CD2 3.82Å; L14-Y567 HydrophobicContact CD1-CE1 3.2Å; L14-Y567 HydrophobicContact CD1-CE2 3.8Å; L14-Y567 HydrophobicContact CD1-CG 3.55Å; L14-Y567 VanDerWaalsContact CD1-CZ 3.49Å; L14-Y567 HydrophobicContact CD2-CD1 3.39Å; L14-Y567 HydrophobicContact CD2-CE1 3.4Å; L14-Y567 VanDerWaalsContact CD2-CE1 3.4Å; L14-Y567 HydrophobicContact CD2-CG 4.38Å; L14-Y567 HydrophobicContact CG-CD1 3.64Å; L14-Y567 HydrophobicContact CG-CE1 3.81Å; L14-Y567 HydrophobicContact CG-CG 4.18Å
15	W	48.2	Very low	42.7	Very low	59 Å²	59	72.9 Å²	72.9	22%	0.223	36%	0.363	C	S	.	.	S	Bend	trans	-115.8	-20.9	-166.1	-60.4	107.8	0	0	0	115.2	P17 A52 L114	W15-P17 VanDerWaalsContact C-CD 3.44Å; W15-A52 HydrophobicContact CE3-CB 4.16Å; W15-A52 VanDerWaalsContact CH2-CA 3.44Å; W15-A52 HydrophobicContact CH2-CB 4Å; W15-A52 VanDerWaalsContact CZ3-CA 3.42Å; W15-A52 HydrophobicContact CZ3-CB 3.51Å; W15-L114 HydrophobicContact CG-CD2 4.39Å
16	L	44.3	Very low	44	Very low	46 Å²	46	63.4 Å²	63.4	24%	0.241	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.4	177.5	-82.9	165.7	0	0	0	116.1	L18 L19 P20 R148 V151 E152 I155	L16-L18 PolarHBondContact O-N 2.88Å; L16-L19 WeakPolarHBondContact O-CB 3.34Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-P20 WeakPolarHBondContact O-CD 3.43Å; L16-R148 HydrophobicContact CD2-CG 4.21Å; L16-V151 HydrophobicContact CD1-CG1 4.35Å; L16-V151 HydrophobicContact CD2-CG1 4.15Å; L16-V151 HydrophobicContact CG-CG1 4.09Å; L16-E152 HydrophobicContact CD2-CG 3.88Å; L16-I155 HydrophobicContact CD1-CD1 3.28Å; L16-I155 HydrophobicContact CG-CD1 4.28Å
17	P	46.6	Very low	45.1	Very low	27 Å²	27	58.2 Å²	58.2	18%	0.175	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.1	-174.5	26.7	-30.5	0	0	0	115.7	W15 P20 N546	W15-P17 VanDerWaalsContact C-CD 3.44Å; P17-P20 WeakPolarHBondContact O-CD 3.48Å; P17-N546 HydrophobicContact CB-CB 3.78Å; P17-N546 WeakPolarHBondContact CB-O 3.07Å; P17-N546 WeakPolarHBondContact CG-O 3.48Å
18	L	48.4	Very low	46.1	Very low	65 Å²	65	57.2 Å²	57.2	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-79.4	-20.7	169.1	-83.7	162.2	0	0	0	112.4	L16 V21 L22	L16-L18 PolarHBondContact O-N 2.88Å; L18-V21 WeakPolarHBondContact O-CB 3.38Å; L18-V21 PolarHBondContact O-N 3.15Å; L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 PolarHBondContact O-N 3.12Å
19	L	50.3	Low	46.9	Very low	9 Å²	9	52.2 Å²	52.2	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-39.4	-178	-122.4	130.6	0	0	0	114.1	L16 V21 L22 M23 Y147 R148	L16-L19 WeakPolarHBondContact O-CB 3.34Å; L16-L19 PolarHBondContact O-N 3.42Å; L19-V21 VanDerWaalsContact C-N 3.33Å; L19-L22 WeakPolarHBondContact O-CB 3.5Å; L19-L22 PolarHBondContact O-N 3.17Å; L19-M23 HydrophobicContact CD2-CE 4.23Å; L19-M23 WeakPolarHBondContact O-CB 3.37Å; L19-M23 WeakPolarHBondContact O-CG 3.48Å; L19-M23 PolarHBondContact O-N 3.34Å; L19-Y147 HydrophobicContact CD1-CD1 3.87Å; L19-Y147 HydrophobicContact CD1-CE1 3.73Å; L19-R148 HydrophobicContact CD1-CB 4.44Å; L19-R148 HydrophobicContact CD2-CB 3.76Å; L19-R148 HydrophobicContact CD2-CG 4.04Å
20	P	46.8	Very low	47.5	Very low	70 Å²	70	51.5 Å²	51.5	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-37.3	169.2	-23.8	32.9	0	0	0	112.9	L16 P17 M23 L24	L16-P20 WeakPolarHBondContact O-CD 3.43Å; P17-P20 WeakPolarHBondContact O-CD 3.48Å; P20-M23 PolarHBondContact O-N 3.36Å; P20-L24 VanDerWaalsContact O-CB 3.3Å; P20-L24 WeakPolarHBondContact O-CB 3.29Å; P20-L24 VanDerWaalsContact O-CG 3.27Å; P20-L24 WeakPolarHBondContact O-CG 3.48Å; P20-L24 PolarHBondContact O-N 3.35Å
21	V	48.6	Very low	48.2	Very low	61 Å²	61	58.4 Å²	58.4	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-43.8	175.3	-179.1	0	0	0	0	109.9	L18 L19 M23 L24 C25	L18-V21 WeakPolarHBondContact O-CB 3.38Å; L18-V21 PolarHBondContact O-N 3.15Å; L19-V21 VanDerWaalsContact C-N 3.33Å; V21-M23 VanDerWaalsContact C-N 3.35Å; V21-M23 PolarHBondContact O-N 2.68Å; V21-L24 PolarHBondContact O-N 2.84Å; V21-C25 VanDerWaalsContact O-CB 3.27Å; V21-C25 WeakPolarHBondContact O-CB 3.36Å; V21-C25 PolarHBondContact O-N 3.12Å; V21-C25 PolarHBondContact O-SG 3.23Å
22	L	52	Low	48.8	Very low	27 Å²	27	61.8 Å²	61.8	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-46.1	173.7	-150.7	88.7	0	0	0	111.6	L18 L19 C25 I26 L45 L144	L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 PolarHBondContact O-N 3.12Å; L19-L22 WeakPolarHBondContact O-CB 3.5Å; L19-L22 PolarHBondContact O-N 3.17Å; L22-C25 PolarHBondContact O-N 3.02Å; L22-I26 HydrophobicContact CG-CD1 4.46Å; L22-I26 WeakPolarHBondContact O-CB 3.25Å; L22-I26 WeakPolarHBondContact O-CD1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.16Å; L22-I26 PolarHBondContact O-N 3.1Å; L22-L45 HydrophobicContact CD1-CD1 3.35Å; L22-L45 HydrophobicContact CD1-CG 4.02Å; L22-L45 HydrophobicContact CG-CD1 3.66Å; L22-L144 HydrophobicContact CD2-CD1 3.69Å; L22-L144 HydrophobicContact CD2-CD2 3.7Å; L22-L144 HydrophobicContact CD2-CG 4.34Å
23	M	51.8	Low	49	Very low	39 Å²	39	70.3 Å²	70.3	19%	0.192	36%	0.355	C	S	.	.	H	α-helix	trans	-69.7	-35.2	178.5	-70.9	-71.2	178.7	0	0	112.8	L19 P20 V21 G27 L144 I145	L19-M23 HydrophobicContact CD2-CE 4.23Å; L19-M23 WeakPolarHBondContact O-CB 3.37Å; L19-M23 WeakPolarHBondContact O-CG 3.48Å; L19-M23 PolarHBondContact O-N 3.34Å; P20-M23 PolarHBondContact O-N 3.36Å; V21-M23 VanDerWaalsContact C-N 3.35Å; V21-M23 PolarHBondContact O-N 2.68Å; M23-G27 PolarHBondContact O-N 3.09Å; M23-L144 HydrophobicContact CE-CB 3.67Å; M23-I145 HydrophobicContact CE-CG1 3.78Å
24	L	52.1	Low	48.8	Very low	121 Å²	121	68.3 Å²	68.3	63%	0.634	34%	0.343	S	S	*	.	H	α-helix	trans	-68.7	-43.2	173.4	-80.3	164.8	0	0	0	111.2	P20 V21 G27 D28	P20-L24 VanDerWaalsContact O-CB 3.3Å; P20-L24 WeakPolarHBondContact O-CB 3.29Å; P20-L24 VanDerWaalsContact O-CG 3.27Å; P20-L24 WeakPolarHBondContact O-CG 3.48Å; P20-L24 PolarHBondContact O-N 3.35Å; V21-L24 PolarHBondContact O-N 2.84Å; L24-G27 PolarHBondContact O-N 2.8Å; L24-D28 WeakPolarHBondContact O-CB 3.37Å; L24-D28 PolarHBondContact O-N 3.02Å
25	C	51.1	Low	49	Very low	27 Å²	27	71.2 Å²	71.2	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-45.6	174.1	-78.3	0	0	0	0	111.6	V21 L22 Y29 C41	V21-C25 VanDerWaalsContact O-CB 3.27Å; V21-C25 WeakPolarHBondContact O-CB 3.36Å; V21-C25 PolarHBondContact O-N 3.12Å; V21-C25 PolarHBondContact O-SG 3.23Å; L22-C25 PolarHBondContact O-N 3.02Å; C25-Y29 VanDerWaalsContact O-CB 3.22Å; C25-Y29 WeakPolarHBondContact O-CB 3.4Å; C25-Y29 PolarHBondContact O-N 3.16Å; C25-C41 WeakPolarHBondContact CB-SG 3.26Å
26	I	54.5	Low	48.9	Very low	28 Å²	28	72.4 Å²	72.4	14%	0.144	38%	0.384	C	S	.	.	H	α-helix	trans	-62.4	-46.1	174	-68.4	165.2	0	0	0	110.2	L22 Y29 F30 L144	L22-I26 HydrophobicContact CG-CD1 4.46Å; L22-I26 WeakPolarHBondContact O-CB 3.25Å; L22-I26 WeakPolarHBondContact O-CD1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.16Å; L22-I26 PolarHBondContact O-N 3.1Å; I26-Y29 WeakPolarHBondContact O-CB 3.22Å; I26-Y29 PolarHBondContact O-N 3.08Å; I26-F30 HydrophobicContact CG2-CD2 4.1Å; I26-F30 HydrophobicContact CG2-CE2 3.89Å; I26-F30 WeakPolarHBondContact O-CD2 3.42Å; I26-F30 PolarHBondContact O-N 3.32Å; I26-L144 HydrophobicContact CD1-CD1 3.88Å
27	G	48.6	Very low	48.9	Very low	40 Å²	40	76.9 Å²	76.9	41%	0.412	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-42.3	178.5	0	0	0	0	0	114.1	M23 L24 F30 R31	M23-G27 PolarHBondContact O-N 3.09Å; L24-G27 PolarHBondContact O-N 2.8Å; G27-F30 PolarHBondContact O-N 3.25Å; G27-R31 WeakPolarHBondContact O-CB 3.38Å; G27-R31 PolarHBondContact O-N 3.23Å; G27-R31 VanDerWaalsContact O-N 3.11Å
28	D	51.9	Low	48.9	Very low	72 Å²	72	76 Å²	76	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-72.1	-34.3	178.3	-109.1	12.1	0	0	0	112.1	L24 F30 R31 K32	L24-D28 WeakPolarHBondContact O-CB 3.37Å; L24-D28 PolarHBondContact O-N 3.02Å; D28-F30 VanDerWaalsContact C-N 3.31Å; D28-F30 PolarHBondContact O-N 3.14Å; D28-R31 PolarHBondContact O-N 3.34Å; D28-K32 PolarHBondContact O-N 3.19Å; D28-K32 VanDerWaalsContact O-N 3.07Å; D28-K32 IonicContact OD1-NZ 3.93Å; D28-K32 IonicContact OD2-NZ 2.72Å; D28-K32 PolarHBondContact OD2-NZ 3.24Å
29	Y	47.5	Very low	48.8	Very low	27 Å²	27	77.1 Å²	77.1	11%	0.106	40%	0.402	C	S	.	.	H	α-helix	trans	-55.7	-46.2	172.3	173.6	-97.6	0	0	0	111.1	C25 I26 T38 W42 H129	C25-Y29 VanDerWaalsContact O-CB 3.22Å; C25-Y29 WeakPolarHBondContact O-CB 3.4Å; C25-Y29 PolarHBondContact O-N 3.16Å; I26-Y29 WeakPolarHBondContact O-CB 3.22Å; I26-Y29 PolarHBondContact O-N 3.08Å; Y29-T38 HydrophobicContact CD2-CG2 3.45Å; Y29-T38 VanDerWaalsContact CD2-CG2 3.45Å; Y29-T38 HydrophobicContact CE2-CG2 3.7Å; Y29-T38 HydrophobicContact CG-CG2 4.41Å; Y29-W42 AromaticContact CD2-CD1 3.76Å; Y29-W42 AromaticContact CD2-NE1 3.37Å; Y29-W42 AromaticContact CE2-CD1 3.45Å; Y29-W42 VanDerWaalsContact CE2-CD1 3.45Å; Y29-W42 AromaticContact CE2-NE1 2.91Å; Y29-W42 AromaticContact CZ-NE1 3.29Å; Y29-W42 VanDerWaalsContact CZ-NE1 3.29Å; Y29-H129 AromaticContact CE2-CD2 3.87Å; Y29-H129 AromaticContact CE2-NE2 3.44Å; Y29-H129 WeakPolarHBondContact CE2-NE2 3.43Å; Y29-H129 AromaticContact CZ-NE2 3.53Å; Y29-H129 PolarHBondContact OH-CD2 3.44Å; Y29-H129 VanDerWaalsContact OH-CD2 3.27Å; Y29-H129 PolarHBondContact OH-CE1 3.06Å; Y29-H129 PolarHBondContact OH-NE2 3.47Å
30	F	50.3	Low	48.8	Very low	92 Å²	92	82.1 Å²	82.1	40%	0.404	43%	0.428	S	S	.	.	H	α-helix	trans	-77.4	-25.2	179.3	-71.2	-66.3	0	0	0	114.1	I26 G27 D28 V137	I26-F30 HydrophobicContact CG2-CD2 4.1Å; I26-F30 HydrophobicContact CG2-CE2 3.89Å; I26-F30 WeakPolarHBondContact O-CD2 3.42Å; I26-F30 PolarHBondContact O-N 3.32Å; G27-F30 PolarHBondContact O-N 3.25Å; D28-F30 VanDerWaalsContact C-N 3.31Å; D28-F30 PolarHBondContact O-N 3.14Å; F30-V137 HydrophobicContact CD2-CG1 4.41Å; F30-V137 HydrophobicContact CE1-CG1 4.26Å; F30-V137 HydrophobicContact CE1-CG2 4.19Å; F30-V137 HydrophobicContact CE2-CG1 3.39Å; F30-V137 HydrophobicContact CE2-CG2 4.36Å; F30-V137 HydrophobicContact CZ-CB 4.01Å; F30-V137 HydrophobicContact CZ-CG1 3.33Å; F30-V137 HydrophobicContact CZ-CG2 3.5Å; F30-V137 VanDerWaalsContact CZ-CG2 3.5Å
31	R	51.3	Low	48.8	Very low	214 Å²	214	80 Å²	80	81%	0.808	42%	0.415	S	S	*	.	H	α-helix	trans	-81.3	-33.3	-178.5	-154.9	177.1	-152.6	-170.6	5.5	113.7	G27 D28	G27-R31 WeakPolarHBondContact O-CB 3.38Å; G27-R31 PolarHBondContact O-N 3.23Å; G27-R31 VanDerWaalsContact O-N 3.11Å; D28-R31 PolarHBondContact O-N 3.34Å
32	K	50.8	Low	48.9	Very low	103 Å²	103	79.2 Å²	79.2	45%	0.448	41%	0.405	S	S	.	.	H	α-helix	trans	-99.3	-14.8	-166.8	-77	171.7	-179.2	155.6	0	116	D28 T34	D28-K32 PolarHBondContact O-N 3.19Å; D28-K32 VanDerWaalsContact O-N 3.07Å; D28-K32 IonicContact OD1-NZ 3.93Å; D28-K32 IonicContact OD2-NZ 2.72Å; D28-K32 PolarHBondContact OD2-NZ 3.24Å; K32-T34 WeakPolarHBondContact O-CG2 3.34Å; K32-T34 PolarHBondContact O-N 3.21Å; K32-T34 PolarHBondContact O-OG1 2.93Å
33	K	43.8	Very low	48.9	Very low	200 Å²	200	84.6 Å²	84.6	87%	0.87	43%	0.427	S	S	*	.			trans	44.1	22.3	169.5	-111.5	-174.2	-174.9	-176.8	0	117
34	T	41.3	Very low	48.9	Very low	71 Å²	71	86.7 Å²	86.7	44%	0.436	44%	0.439	S	S	.	.			trans	-115.4	119.2	-178.3	53	0	0	0	0	109.9	K32 S36 K37 T38	K32-T34 WeakPolarHBondContact O-CG2 3.34Å; K32-T34 PolarHBondContact O-N 3.21Å; K32-T34 PolarHBondContact O-OG1 2.93Å; T34-S36 VanDerWaalsContact C-N 3.25Å; T34-S36 PolarHBondContact O-N 3.39Å; T34-S36 VanDerWaalsContact O-N 3.08Å; T34-K37 PolarHBondContact O-N 3.15Å; T34-T38 PolarHBondContact O-OG1 3.14Å
35	S	48.4	Very low	48.8	Very low	97 Å²	97	81.4 Å²	81.4	68%	0.678	41%	0.412	S	S	*	.	H	α-helix	trans	-59.5	-23.2	-166.7	65.8	0	0	0	0	116	T38	S35-T38 VanDerWaalsContact C-OG1 3.23Å; S35-T38 VanDerWaalsContact CA-OG1 3.28Å; S35-T38 WeakPolarHBondContact CA-OG1 3.32Å; S35-T38 PolarHBondContact O-OG1 3.16Å
36	S	46.6	Very low	48.9	Very low	85 Å²	85	83 Å²	83	59%	0.594	42%	0.418	S	S	*	.	H	α-helix	trans	-82.5	-32.5	-175.9	67.8	0	0	0	0	114.1	T34	T34-S36 VanDerWaalsContact C-N 3.25Å; T34-S36 PolarHBondContact O-N 3.39Å; T34-S36 VanDerWaalsContact O-N 3.08Å
37	K	43.4	Very low	48.8	Very low	139 Å²	139	85.8 Å²	85.8	60%	0.604	43%	0.433	S	S	*	.	H	α-helix	trans	-81.3	-23.7	176.8	-77.6	-176.2	176.7	177.1	0	112.5	T34 C41	T34-K37 PolarHBondContact O-N 3.15Å; K37-C41 WeakPolarHBondContact O-CB 3.07Å; K37-C41 PolarHBondContact O-N 2.73Å
38	T	47.4	Very low	48.7	Very low	8 Å²	8	86.5 Å²	86.5	5%	0.049	43%	0.427	C	S	.	.	H	α-helix	trans	-74.9	-38.2	-177.4	46.9	0	0	0	0	112.8	Y29 T34 S35 C41 W42	Y29-T38 HydrophobicContact CD2-CG2 3.45Å; Y29-T38 VanDerWaalsContact CD2-CG2 3.45Å; Y29-T38 HydrophobicContact CE2-CG2 3.7Å; Y29-T38 HydrophobicContact CG-CG2 4.41Å; T34-T38 PolarHBondContact O-OG1 3.14Å; S35-T38 VanDerWaalsContact C-OG1 3.23Å; S35-T38 VanDerWaalsContact CA-OG1 3.28Å; S35-T38 WeakPolarHBondContact CA-OG1 3.32Å; S35-T38 PolarHBondContact O-OG1 3.16Å; T38-C41 PolarHBondContact O-N 2.9Å; T38-W42 WeakPolarHBondContact O-CB 3.47Å; T38-W42 VanDerWaalsContact O-CD1 3.25Å; T38-W42 PolarHBondContact O-N 2.91Å
39	D	46.7	Very low	48.4	Very low	89 Å²	89	84.4 Å²	84.4	48%	0.476	42%	0.42	S	S	.	.	H	α-helix	trans	-70.7	-35.4	179.2	-78	-7.5	0	0	0	112.9	K43	D39-K43 WeakPolarHBondContact O-CB 3.41Å; D39-K43 WeakPolarHBondContact O-CG 3.26Å; D39-K43 PolarHBondContact O-N 3.2Å
40	L	49.1	Very low	48.1	Very low	115 Å²	115	85.3 Å²	85.3	60%	0.602	43%	0.43	S	S	*	.	H	α-helix	trans	-63.3	-47	171.5	-90.6	145.6	0	0	0	110.9	W42 K43 D44	L40-W42 VanDerWaalsContact C-N 3.34Å; L40-W42 PolarHBondContact O-N 2.94Å; L40-K43 PolarHBondContact O-N 3.1Å; L40-D44 WeakPolarHBondContact O-CB 3.5Å; L40-D44 PolarHBondContact O-N 3.14Å
41	C	48.1	Very low	47.8	Very low	26 Å²	26	84.6 Å²	84.6	18%	0.176	43%	0.433	C	S	.	.	H	α-helix	trans	-63.8	-37.1	177.9	-166.2	0	0	0	0	112.7	C25 K37 T38 L45	C25-C41 WeakPolarHBondContact CB-SG 3.26Å; K37-C41 WeakPolarHBondContact O-CB 3.07Å; K37-C41 PolarHBondContact O-N 2.73Å; T38-C41 PolarHBondContact O-N 2.9Å; C41-L45 WeakPolarHBondContact O-CB 3.48Å; C41-L45 PolarHBondContact O-N 3.21Å
42	W	49.4	Very low	47.3	Very low	43 Å²	43	75 Å²	75	16%	0.163	40%	0.4	C	S	.	.	H	α-helix	trans	-68.1	-43.1	174	-91.7	115	0	0	0	112.7	Y29 T38 L40 D44 L45 I46 L124 L132	Y29-W42 AromaticContact CD2-CD1 3.76Å; Y29-W42 AromaticContact CD2-NE1 3.37Å; Y29-W42 AromaticContact CE2-CD1 3.45Å; Y29-W42 VanDerWaalsContact CE2-CD1 3.45Å; Y29-W42 AromaticContact CE2-NE1 2.91Å; Y29-W42 AromaticContact CZ-NE1 3.29Å; Y29-W42 VanDerWaalsContact CZ-NE1 3.29Å; T38-W42 WeakPolarHBondContact O-CB 3.47Å; T38-W42 VanDerWaalsContact O-CD1 3.25Å; T38-W42 PolarHBondContact O-N 2.91Å; L40-W42 VanDerWaalsContact C-N 3.34Å; L40-W42 PolarHBondContact O-N 2.94Å; W42-D44 VanDerWaalsContact C-N 3.31Å; W42-D44 PolarHBondContact O-N 3.17Å; W42-L45 HydrophobicContact CE3-CB 4.41Å; W42-L45 HydrophobicContact CE3-CD2 3.58Å; W42-L45 HydrophobicContact CH2-CD2 4.03Å; W42-L45 HydrophobicContact CZ3-CD2 3.25Å; W42-L45 WeakPolarHBondContact O-CB 3.47Å; W42-L45 PolarHBondContact O-N 3.15Å; W42-I46 WeakPolarHBondContact O-CG1 3.37Å; W42-I46 PolarHBondContact O-N 3.23Å; W42-L124 HydrophobicContact CH2-CD2 3.7Å; W42-L124 HydrophobicContact CZ3-CD2 3.73Å; W42-L132 HydrophobicContact CH2-CD1 3.96Å; W42-L132 HydrophobicContact CH2-CD2 4.43Å; W42-L132 HydrophobicContact CZ2-CD1 3.35Å; W42-L132 HydrophobicContact CZ2-CD2 4.48Å
43	K	53.9	Low	46.7	Very low	141 Å²	141	75.8 Å²	75.8	61%	0.613	40%	0.403	S	S	*	.	H	α-helix	trans	-61.8	-40.9	173.5	-78	178	178.9	178.4	0	111.4	D39 L40 L45 I46 N47	D39-K43 WeakPolarHBondContact O-CB 3.41Å; D39-K43 WeakPolarHBondContact O-CG 3.26Å; D39-K43 PolarHBondContact O-N 3.2Å; L40-K43 PolarHBondContact O-N 3.1Å; K43-L45 VanDerWaalsContact C-N 3.34Å; K43-I46 PolarHBondContact O-N 2.71Å; K43-N47 VanDerWaalsContact O-CB 3.29Å; K43-N47 WeakPolarHBondContact O-CB 3.5Å; K43-N47 PolarHBondContact O-N 3.09Å; K43-N47 PolarHBondContact O-ND2 3.48Å
44	D	50.8	Low	46.6	Very low	82 Å²	82	71.5 Å²	71.5	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-37.4	174.7	-72	-21.1	0	0	0	112	L40 W42 N47 N48	L40-D44 WeakPolarHBondContact O-CB 3.5Å; L40-D44 PolarHBondContact O-N 3.14Å; W42-D44 VanDerWaalsContact C-N 3.31Å; W42-D44 PolarHBondContact O-N 3.17Å; D44-N47 PolarHBondContact O-N 3.01Å; D44-N48 VanDerWaalsContact O-CB 3.3Å; D44-N48 WeakPolarHBondContact O-CB 3.35Å; D44-N48 PolarHBondContact O-N 3.32Å; D44-N48 PolarHBondContact O-ND2 3.43Å
45	L	49.4	Very low	46.4	Very low	11 Å²	11	69.4 Å²	69.4	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-60.8	-48.9	173.7	-162.4	93.1	0	0	0	111.6	L22 C41 W42 K43 N48 A49 L124	L22-L45 HydrophobicContact CD1-CD1 3.35Å; L22-L45 HydrophobicContact CD1-CG 4.02Å; L22-L45 HydrophobicContact CG-CD1 3.66Å; C41-L45 WeakPolarHBondContact O-CB 3.48Å; C41-L45 PolarHBondContact O-N 3.21Å; W42-L45 HydrophobicContact CE3-CB 4.41Å; W42-L45 HydrophobicContact CE3-CD2 3.58Å; W42-L45 HydrophobicContact CH2-CD2 4.03Å; W42-L45 HydrophobicContact CZ3-CD2 3.25Å; W42-L45 WeakPolarHBondContact O-CB 3.47Å; W42-L45 PolarHBondContact O-N 3.15Å; K43-L45 VanDerWaalsContact C-N 3.34Å; L45-N48 PolarHBondContact O-N 2.97Å; L45-A49 WeakPolarHBondContact O-CB 3.2Å; L45-A49 PolarHBondContact O-N 3.05Å; L45-L124 HydrophobicContact CD2-CD1 4.01Å; L45-L124 HydrophobicContact CD2-CD2 4.32Å
46	I	53.3	Low	45.9	Very low	60 Å²	60	67.1 Å²	67.1	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-65.3	-40.8	179.1	-67.2	168.3	0	0	0	110.7	W42 K43 A49 S50 Q125	W42-I46 WeakPolarHBondContact O-CG1 3.37Å; W42-I46 PolarHBondContact O-N 3.23Å; K43-I46 PolarHBondContact O-N 2.71Å; I46-A49 PolarHBondContact O-N 3.28Å; I46-S50 WeakPolarHBondContact O-CB 3.4Å; I46-S50 PolarHBondContact O-N 3.11Å; I46-S50 PolarHBondContact O-OG 3.48Å; I46-Q125 HydrophobicContact CG2-CG 4.35Å
47	N	52.4	Low	45.6	Very low	86 Å²	86	67.6 Å²	67.6	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-41.3	176.9	-75.8	-20.9	0	0	0	112.2	K43 D44 A49 S50 V51	K43-N47 VanDerWaalsContact O-CB 3.29Å; K43-N47 WeakPolarHBondContact O-CB 3.5Å; K43-N47 PolarHBondContact O-N 3.09Å; K43-N47 PolarHBondContact O-ND2 3.48Å; D44-N47 PolarHBondContact O-N 3.01Å; N47-A49 VanDerWaalsContact C-N 3.29Å; N47-A49 PolarHBondContact O-N 2.7Å; N47-S50 WeakPolarHBondContact CA-OG 3.43Å; N47-S50 PolarHBondContact O-N 3.33Å; N47-S50 PolarHBondContact O-OG 2.86Å; N47-V51 WeakPolarHBondContact O-CB 3.35Å; N47-V51 WeakPolarHBondContact O-CG2 3.38Å; N47-V51 PolarHBondContact O-N 3.4Å
48	N	47.4	Very low	45.5	Very low	56 Å²	56	66.4 Å²	66.4	30%	0.299	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-36.2	176.2	-74.8	-35.2	0	0	0	111.6	D44 L45 A52	D44-N48 VanDerWaalsContact O-CB 3.3Å; D44-N48 WeakPolarHBondContact O-CB 3.35Å; D44-N48 PolarHBondContact O-N 3.32Å; D44-N48 PolarHBondContact O-ND2 3.43Å; L45-N48 PolarHBondContact O-N 2.97Å; N48-A52 PolarHBondContact O-N 2.87Å; N48-A52 VanDerWaalsContact O-N 3.11Å
49	A	44.3	Very low	44.9	Very low	27 Å²	27	67.9 Å²	67.9	22%	0.223	35%	0.354	C	S	.	.	H	α-helix	trans	-73.9	-32.6	176.3	0	0	0	0	0	113.1	L45 I46 N47 A52 K53 S121	L45-A49 WeakPolarHBondContact O-CB 3.2Å; L45-A49 PolarHBondContact O-N 3.05Å; I46-A49 PolarHBondContact O-N 3.28Å; N47-A49 VanDerWaalsContact C-N 3.29Å; N47-A49 PolarHBondContact O-N 2.7Å; A49-A52 VanDerWaalsContact O-CB 3.31Å; A49-A52 WeakPolarHBondContact O-CB 3.28Å; A49-A52 PolarHBondContact O-N 2.95Å; A49-K53 PolarHBondContact O-N 3.35Å; A49-S121 WeakPolarHBondContact CB-OG 3.49Å
50	S	42.3	Very low	44.5	Very low	47 Å²	47	67.2 Å²	67.2	33%	0.329	36%	0.356	S	S	.	.	H	α-helix	trans	-74.7	-35.4	173.9	70.3	0	0	0	0	112.8	I46 N47 A52 K53 E54	I46-S50 WeakPolarHBondContact O-CB 3.4Å; I46-S50 PolarHBondContact O-N 3.11Å; I46-S50 PolarHBondContact O-OG 3.48Å; N47-S50 WeakPolarHBondContact CA-OG 3.43Å; N47-S50 PolarHBondContact O-N 3.33Å; N47-S50 PolarHBondContact O-OG 2.86Å; S50-A52 PolarHBondContact O-N 3.38Å; S50-K53 WeakPolarHBondContact O-CB 3.5Å; S50-K53 PolarHBondContact O-N 3.45Å; S50-K53 VanDerWaalsContact O-N 3.09Å; S50-E54 PolarHBondContact O-N 3.41Å
51	V	43.1	Very low	44.4	Very low	76 Å²	76	66.3 Å²	66.3	46%	0.461	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-32.8	168.8	171.2	0	0	0	0	110.7	N47 K53 E54 G55	N47-V51 WeakPolarHBondContact O-CB 3.35Å; N47-V51 WeakPolarHBondContact O-CG2 3.38Å; N47-V51 PolarHBondContact O-N 3.4Å; V51-K53 VanDerWaalsContact C-N 3.29Å; V51-K53 PolarHBondContact O-N 3.26Å; V51-E54 PolarHBondContact O-N 2.89Å; V51-G55 PolarHBondContact O-N 3.19Å
52	A	41.3	Very low	44.2	Very low	13 Å²	13	70.4 Å²	70.4	11%	0.107	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-39.1	172.3	0	0	0	0	0	112.7	W15 N48 A49 S50 G55 V56	W15-A52 HydrophobicContact CE3-CB 4.16Å; W15-A52 VanDerWaalsContact CH2-CA 3.44Å; W15-A52 HydrophobicContact CH2-CB 4Å; W15-A52 VanDerWaalsContact CZ3-CA 3.42Å; W15-A52 HydrophobicContact CZ3-CB 3.51Å; N48-A52 PolarHBondContact O-N 2.87Å; N48-A52 VanDerWaalsContact O-N 3.11Å; A49-A52 VanDerWaalsContact O-CB 3.31Å; A49-A52 WeakPolarHBondContact O-CB 3.28Å; A49-A52 PolarHBondContact O-N 2.95Å; S50-A52 PolarHBondContact O-N 3.38Å; A52-G55 PolarHBondContact O-N 3.42Å; A52-V56 WeakPolarHBondContact O-CG2 3.17Å; A52-V56 PolarHBondContact O-N 3.07Å; A52-V56 VanDerWaalsContact O-N 3.12Å
53	K	39	Very low	43.8	Very low	119 Å²	119	70.2 Å²	70.2	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-49.2	176.3	-172.4	-175.1	176.5	-178.7	0	112.8	A49 S50 V51 G55 V56 D57	A49-K53 PolarHBondContact O-N 3.35Å; S50-K53 WeakPolarHBondContact O-CB 3.5Å; S50-K53 PolarHBondContact O-N 3.45Å; S50-K53 VanDerWaalsContact O-N 3.09Å; V51-K53 VanDerWaalsContact C-N 3.29Å; V51-K53 PolarHBondContact O-N 3.26Å; K53-G55 VanDerWaalsContact C-N 3.32Å; K53-G55 PolarHBondContact O-N 3.07Å; K53-V56 PolarHBondContact O-N 3.4Å; K53-D57 PolarHBondContact O-N 2.87Å; K53-D57 VanDerWaalsContact O-N 3.09Å
54	E	41.2	Very low	43.2	Very low	110 Å²	110	66.6 Å²	66.6	51%	0.514	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-36.2	-179.1	-69.9	-177.2	172.7	0	0	112.7	S50 V51 W58 K529	S50-E54 PolarHBondContact O-N 3.41Å; V51-E54 PolarHBondContact O-N 2.89Å; E54-W58 WeakPolarHBondContact O-CB 3.41Å; E54-W58 PolarHBondContact O-N 3.5Å; E54-K529 IonicContact OE1-NZ 3.67Å; E54-K529 WeakPolarHBondContact OE2-CE 3.23Å; E54-K529 IonicContact OE2-NZ 2.69Å; E54-K529 PolarHBondContact OE2-NZ 3.22Å
55	G	36.8	Very low	42.7	Very low	27 Å²	27	69.7 Å²	69.7	28%	0.278	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-39.1	174.6	0	0	0	0	0	112.7	V51 A52 K53 F59	V51-G55 PolarHBondContact O-N 3.19Å; A52-G55 PolarHBondContact O-N 3.42Å; K53-G55 VanDerWaalsContact C-N 3.32Å; K53-G55 PolarHBondContact O-N 3.07Å; G55-F59 WeakPolarHBondContact O-CB 3.43Å; G55-F59 PolarHBondContact O-N 3.23Å; G55-F59 VanDerWaalsContact O-N 3.12Å
56	V	38.7	Very low	42.2	Very low	49 Å²	49	71.8 Å²	71.8	30%	0.297	38%	0.378	S	S	.	.	H	α-helix	trans	-70.1	-46.3	-179.4	171.4	0	0	0	0	112.3	A52 K53 W58 F59 S60 L114	A52-V56 WeakPolarHBondContact O-CG2 3.17Å; A52-V56 PolarHBondContact O-N 3.07Å; A52-V56 VanDerWaalsContact O-N 3.12Å; K53-V56 PolarHBondContact O-N 3.4Å; V56-W58 PolarHBondContact O-N 2.85Å; V56-F59 PolarHBondContact O-N 3.19Å; V56-S60 WeakPolarHBondContact O-CB 3.38Å; V56-S60 PolarHBondContact O-N 2.88Å; V56-L114 HydrophobicContact CG2-CD1 3.97Å
57	D	39.4	Very low	41.4	Very low	96 Å²	96	77.9 Å²	77.9	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-41.4	-180	-74.3	-23.1	0	0	0	111.6	K53 F59 T61	K53-D57 PolarHBondContact O-N 2.87Å; K53-D57 VanDerWaalsContact O-N 3.09Å; D57-F59 VanDerWaalsContact C-N 3.33Å; D57-F59 PolarHBondContact O-N 3.41Å; D57-T61 PolarHBondContact O-N 3.4Å; D57-T61 PolarHBondContact O-OG1 3.01Å
58	W	41.7	Very low	40.8	Very low	113 Å²	113	81.9 Å²	81.9	43%	0.428	41%	0.406	S	S	.	.	H	α-helix	trans	-64	-38.9	175.9	-175	87	0	0	0	112.2	E54 V56 T61 R62 I525	E54-W58 WeakPolarHBondContact O-CB 3.41Å; E54-W58 PolarHBondContact O-N 3.5Å; V56-W58 PolarHBondContact O-N 2.85Å; W58-T61 PolarHBondContact O-N 3.47Å; W58-R62 PolarHBondContact O-N 2.89Å; W58-I525 HydrophobicContact CH2-CG2 3.73Å; W58-I525 HydrophobicContact CZ2-CG2 4.34Å
59	F	34.8	Very low	40.3	Very low	40 Å²	40	82 Å²	82	18%	0.175	41%	0.406	C	S	.	.	H	α-helix	trans	-70.6	-45	-179.2	-166	-111.3	0	0	0	112.5	S11 G55 V56 D57 T61 R62 I63 Q111	S11-F59 WeakPolarHBondContact OG-CE2 3.39Å; S11-F59 WeakPolarHBondContact OG-CZ 3.35Å; G55-F59 WeakPolarHBondContact O-CB 3.43Å; G55-F59 PolarHBondContact O-N 3.23Å; G55-F59 VanDerWaalsContact O-N 3.12Å; V56-F59 PolarHBondContact O-N 3.19Å; D57-F59 VanDerWaalsContact C-N 3.33Å; D57-F59 PolarHBondContact O-N 3.41Å; F59-T61 VanDerWaalsContact C-N 3.27Å; F59-T61 PolarHBondContact O-N 3.32Å; F59-R62 PolarHBondContact O-N 2.82Å; F59-I63 HydrophobicContact CD1-CD1 4.18Å; F59-I63 HydrophobicContact CD1-CG1 4.43Å; F59-I63 HydrophobicContact CE1-CD1 3.46Å; F59-I63 VanDerWaalsContact CE1-CD1 3.46Å; F59-I63 HydrophobicContact CE1-CG1 4.05Å; F59-I63 HydrophobicContact CZ-CD1 3.68Å; F59-I63 HydrophobicContact CZ-CG1 4.07Å; F59-I63 PolarHBondContact O-N 2.98Å; F59-Q111 VanDerWaalsContact CD1-NE2 3.3Å; F59-Q111 VanDerWaalsContact CE1-NE2 3.27Å
60	S	38.8	Very low	39.9	Very low	75 Å²	75	82.9 Å²	82.9	52%	0.524	41%	0.405	S	S	.	.	H	α-helix	trans	-54.2	-44	172.7	179.7	0	0	0	0	111.7	V56 R62 I63 S64	V56-S60 WeakPolarHBondContact O-CB 3.38Å; V56-S60 PolarHBondContact O-N 2.88Å; S60-R62 VanDerWaalsContact C-N 3.29Å; S60-R62 PolarHBondContact O-N 3.04Å; S60-I63 PolarHBondContact O-N 2.9Å; S60-S64 PolarHBondContact O-N 3.47Å
61	T	45.9	Very low	39.6	Very low	95 Å²	95	86.3 Å²	86.3	58%	0.583	42%	0.419	S	S	*	.	H	α-helix	trans	-67.8	-25.5	178.7	-46.5	0	0	0	0	113.1	D57 W58 F59 S64	D57-T61 PolarHBondContact O-N 3.4Å; D57-T61 PolarHBondContact O-OG1 3.01Å; W58-T61 PolarHBondContact O-N 3.47Å; F59-T61 VanDerWaalsContact C-N 3.27Å; F59-T61 PolarHBondContact O-N 3.32Å; T61-S64 PolarHBondContact O-OG 3.41Å
62	R	45.2	Very low	39.2	Very low	113 Å²	113	89.7 Å²	89.7	43%	0.426	43%	0.428	S	S	.	.	H	α-helix	trans	-87.4	-32	-180	-154.8	73.2	179.9	-169.8	-2.4	112.9	W58 F59 S60 R65 L66	W58-R62 PolarHBondContact O-N 2.89Å; F59-R62 PolarHBondContact O-N 2.82Å; S60-R62 VanDerWaalsContact C-N 3.29Å; S60-R62 PolarHBondContact O-N 3.04Å; R62-R65 WeakPolarHBondContact O-CB 3.46Å; R62-R65 PolarHBondContact O-N 2.96Å; R62-L66 PolarHBondContact O-N 2.77Å; R62-L66 VanDerWaalsContact O-N 3.08Å
63	I	39.7	Very low	38.9	Very low	39 Å²	39	91.4 Å²	91.4	20%	0.2	44%	0.439	C	S	.	.	H	α-helix	trans	-67.4	-36.5	175.9	-69.7	-155.4	0	0	0	112.2	F59 S60 R65 L66 R67 V107	F59-I63 HydrophobicContact CD1-CD1 4.18Å; F59-I63 HydrophobicContact CD1-CG1 4.43Å; F59-I63 HydrophobicContact CE1-CD1 3.46Å; F59-I63 VanDerWaalsContact CE1-CD1 3.46Å; F59-I63 HydrophobicContact CE1-CG1 4.05Å; F59-I63 HydrophobicContact CZ-CD1 3.68Å; F59-I63 HydrophobicContact CZ-CG1 4.07Å; F59-I63 PolarHBondContact O-N 2.98Å; S60-I63 PolarHBondContact O-N 2.9Å; I63-R65 PolarHBondContact O-N 3.3Å; I63-L66 HydrophobicContact CG1-CD1 4.36Å; I63-L66 WeakPolarHBondContact O-CA 3.43Å; I63-L66 WeakPolarHBondContact O-CB 3.26Å; I63-L66 PolarHBondContact O-N 2.86Å; I63-R67 PolarHBondContact O-N 3.29Å; I63-V107 HydrophobicContact CD1-CG1 4.44Å
64	S	42.1	Very low	38.8	Very low	65 Å²	65	95 Å²	95	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-26.5	172.8	64.4	0	0	0	0	113.1	S60 T61	S60-S64 PolarHBondContact O-N 3.47Å; T61-S64 PolarHBondContact O-OG 3.41Å
65	R	40.9	Very low	38.5	Very low	146 Å²	146	93.4 Å²	93.4	55%	0.551	46%	0.459	S	S	*	.	H	α-helix	trans	-77.8	-33.2	169	-84.2	-178.1	172.8	173.9	-0.1	113.1	R62 I63 R68	R62-R65 WeakPolarHBondContact O-CB 3.46Å; R62-R65 PolarHBondContact O-N 2.96Å; I63-R65 PolarHBondContact O-N 3.3Å; R65-R68 PolarHBondContact O-N 2.95Å
66	L	37.3	Very low	38.3	Very low	55 Å²	55	98.8 Å²	98.8	29%	0.288	48%	0.48	S	S	.	.	H	α-helix	trans	-70.3	-32	176.1	-76.3	160.6	0	0	0	112.7	R62 I63 R68 L69 F70	R62-L66 PolarHBondContact O-N 2.77Å; R62-L66 VanDerWaalsContact O-N 3.08Å; I63-L66 HydrophobicContact CG1-CD1 4.36Å; I63-L66 WeakPolarHBondContact O-CA 3.43Å; I63-L66 WeakPolarHBondContact O-CB 3.26Å; I63-L66 PolarHBondContact O-N 2.86Å; L66-R68 PolarHBondContact O-N 2.82Å; L66-L69 HydrophobicContact CD2-CD1 4.28Å; L66-L69 WeakPolarHBondContact O-CA 3.44Å; L66-L69 WeakPolarHBondContact O-CB 3.46Å; L66-L69 PolarHBondContact O-N 3.42Å; L66-F70 HydrophobicContact CB-CD2 4.47Å; L66-F70 WeakPolarHBondContact O-CD2 3.36Å; L66-F70 PolarHBondContact O-N 3.28Å
67	R	36.1	Very low	38	Very low	189 Å²	189	101.6 Å²	101.6	71%	0.713	50%	0.502	S	S	*	.	H	α-helix	trans	-53.3	-42	172.9	-166.9	175.3	-174.5	170	2.2	112.1	I63 L69 D71	I63-R67 PolarHBondContact O-N 3.29Å; R67-L69 VanDerWaalsContact C-N 3.27Å; R67-L69 PolarHBondContact O-N 2.97Å; R67-D71 PolarHBondContact O-N 2.51Å; R67-D71 VanDerWaalsContact O-N 3.1Å
68	R	41.9	Very low	37.6	Very low	170 Å²	170	102 Å²	102	64%	0.642	50%	0.502	S	S	*	.	H	α-helix	trans	-68.4	-21	175.7	-79.1	-176.1	-81.1	-158.5	-8.5	114.7	R65 L66	R65-R68 PolarHBondContact O-N 2.95Å; L66-R68 PolarHBondContact O-N 2.82Å
69	L	36.3	Very low	37	Very low	57 Å²	57	106.5 Å²	106.5	30%	0.298	53%	0.525	S	S	.	.	H	α-helix	trans	-89.6	-39.8	179.2	-76.3	174.5	0	0	0	111.2	E7 L66 R67 F72	E7-L69 HydrophobicContact CG-CB 4.42Å; E7-L69 HydrophobicContact CG-CD1 4.25Å; E7-L69 VanDerWaalsContact OE1-CB 3.28Å; E7-L69 WeakPolarHBondContact OE1-CB 3.33Å; E7-L69 WeakPolarHBondContact OE1-CD2 3.24Å; L66-L69 HydrophobicContact CD2-CD1 4.28Å; L66-L69 WeakPolarHBondContact O-CA 3.44Å; L66-L69 WeakPolarHBondContact O-CB 3.46Å; L66-L69 PolarHBondContact O-N 3.42Å; R67-L69 VanDerWaalsContact C-N 3.27Å; R67-L69 PolarHBondContact O-N 2.97Å; L69-F72 VanDerWaalsContact O-CB 3.28Å; L69-F72 WeakPolarHBondContact O-CB 3.25Å; L69-F72 PolarHBondContact O-N 2.98Å; L69-F72 VanDerWaalsContact O-N 3.09Å
70	F	34.6	Very low	37.1	Very low	47 Å²	47	111 Å²	111	21%	0.206	55%	0.549	C	S	.	.	H	α-helix	trans	-69.1	-32.9	174.5	-86.1	-80.5	0	0	0	113.4	F8 L66 F72 S73	F8-F70 HydrophobicContact CD2-CE1 4.5Å; F8-F70 HydrophobicContact CD2-CZ 4.11Å; F8-F70 AromaticContact CE2-CE1 3.7Å; F8-F70 HydrophobicContact CE2-CE1 3.7Å; F8-F70 AromaticContact CE2-CZ 3.63Å; F8-F70 HydrophobicContact CE2-CZ 3.63Å; F8-F70 HydrophobicContact CZ-CE1 4.35Å; F8-F70 HydrophobicContact CZ-CZ 4.27Å; L66-F70 HydrophobicContact CB-CD2 4.47Å; L66-F70 WeakPolarHBondContact O-CD2 3.36Å; L66-F70 PolarHBondContact O-N 3.28Å; F70-F72 PolarHBondContact O-N 3.45Å; F70-S73 PolarHBondContact O-N 2.91Å
71	D	37.1	Very low	36.9	Very low	118 Å²	118	114.3 Å²	114.3	63%	0.631	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-68.9	-18.7	170.8	-69.3	-22.9	0	0	0	112	R67	R67-D71 PolarHBondContact O-N 2.51Å; R67-D71 VanDerWaalsContact O-N 3.1Å
72	F	34.3	Very low	36	Very low	147 Å²	147	119.6 Å²	119.6	65%	0.645	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-82.3	-13.4	177.9	-127.9	-92.3	0	0	0	113.3	L69 F70 E74 S75	L69-F72 VanDerWaalsContact O-CB 3.28Å; L69-F72 WeakPolarHBondContact O-CB 3.25Å; L69-F72 PolarHBondContact O-N 2.98Å; L69-F72 VanDerWaalsContact O-N 3.09Å; F70-F72 PolarHBondContact O-N 3.45Å; F72-E74 PolarHBondContact O-N 3.43Å; F72-S75 PolarHBondContact O-N 2.92Å; F72-S75 VanDerWaalsContact O-N 3.12Å; F72-S75 PolarHBondContact O-OG 3.33Å
73	S	36.1	Very low	35.6	Very low	49 Å²	49	122.2 Å²	122.2	34%	0.343	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-72.7	-12.4	-175.8	100.1	0	0	0	0	113.8	F70 S75	F70-S73 PolarHBondContact O-N 2.91Å; S73-S75 PolarHBondContact O-N 2.9Å
74	E	37	Very low	35.1	Very low	194 Å²	194	127.8 Å²	127.8	91%	0.907	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-68.8	-16.2	169.3	-86	-170.7	156.4	0	0	112.6	F72	F72-E74 PolarHBondContact O-N 3.43Å
75	S	33.7	Very low	34.7	Very low	77 Å²	77	134.2 Å²	134.2	54%	0.538	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-94.3	-8.5	-177.3	75.2	0	0	0	0	115.2	F72 S73 S77	F72-S75 PolarHBondContact O-N 2.92Å; F72-S75 VanDerWaalsContact O-N 3.12Å; F72-S75 PolarHBondContact O-OG 3.33Å; S73-S75 PolarHBondContact O-N 2.9Å; S75-S77 PolarHBondContact O-N 3.19Å
76	I	33.2	Very low	34.6	Very low	140 Å²	140	133.7 Å²	133.7	72%	0.718	65%	0.65	S	S	*	*			trans	-87	68.5	-179.9	-53.1	179.8	0	0	0	108.8	M78	I76-M78 PolarHBondContact O-N 2.97Å
77	S	31.4	Very low	34.4	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	68%	0.677	S	S	*	*			trans	-65.2	127	169.3	-159.2	0	0	0	0	109.4	S75 K79	S75-S77 PolarHBondContact O-N 3.19Å; S77-K79 PolarHBondContact O-N 3.29Å; S77-K79 VanDerWaalsContact O-N 3.14Å
78	M	31.1	Very low	34.6	Very low	105 Å²	105	136.6 Å²	136.6	52%	0.517	69%	0.686	S	S	.	*			trans	-49.8	109.7	-175.9	-71.4	172.5	-73.7	0	0	113.4	I76 N90	I76-M78 PolarHBondContact O-N 2.97Å; M78-N90 HydrophobicContact CE-CB 3.58Å; M78-N90 VanDerWaalsContact CE-ND2 3.32Å; M78-N90 WeakPolarHBondContact CE-ND2 3.4Å; M78-N90 WeakPolarHBondContact CE-OD1 3.27Å
79	K	29.2	Very low	34.9	Very low	208 Å²	208	133 Å²	133	90%	0.904	68%	0.682	S	S	*	*			trans	-91.8	77.8	149.5	-84.5	-178.5	175	176.3	0	108.4	S77	S77-K79 PolarHBondContact O-N 3.29Å; S77-K79 VanDerWaalsContact O-N 3.14Å
80	I	36.7	Very low	35.8	Very low	133 Å²	133	136.2 Å²	136.2	68%	0.682	70%	0.7	S	S	*	*			trans	-122.3	104.6	167.9	-63	-179.4	0	0	0	108.5
81	I	34.4	Very low	37.1	Very low	146 Å²	146	145.1 Å²	145.1	75%	0.749	73%	0.732	S	S	*	*			trans	37.3	112	135.6	-52.9	172.9	0	0	0	115.7	M83	I81-M83 PolarHBondContact O-N 3.35Å
82	K	28.9	Very low	39	Very low	205 Å²	205	144.2 Å²	144.2	89%	0.891	73%	0.726	S	S	*	*			trans	-45.3	103.1	164.2	-76.9	178.5	170.6	-178	0	111.1
83	M	35.3	Very low	41.2	Very low	169 Å²	169	138.2 Å²	138.2	83%	0.833	71%	0.705	S	S	*	*			trans	-121.6	107.3	147.5	-78.5	-170.8	77.4	0	0	106.3	I81	I81-M83 PolarHBondContact O-N 3.35Å
84	D	30	Very low	43.5	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	72%	0.724	S	S	*	*	S	Bend	trans	-56.6	138	175.6	-82.3	-39.6	0	0	0	110.8
85	K	33	Very low	45.8	Very low	199 Å²	199	135.9 Å²	135.9	87%	0.865	70%	0.698	S	S	*	*			trans	81.6	61.3	174.2	-57	-179.2	176.1	178.9	0	117.9
86	I	39.2	Very low	48.3	Very low	135 Å²	135	133.6 Å²	133.6	69%	0.692	68%	0.679	S	S	*	*			trans	-133.8	95.6	145.7	-59.3	-179.1	0	0	0	108.4	V89	I86-V89 HydrophobicContact CG2-CB 3.71Å; I86-V89 HydrophobicContact CG2-CG2 3.27Å
87	T	33	Very low	50.9	Low	138 Å²	138	128.5 Å²	128.5	85%	0.847	65%	0.652	S	S	*	*			trans	-77.6	124.4	172.5	39	0	0	0	0	109
88	N	41	Very low	53.7	Low	168 Å²	168	125.3 Å²	125.3	90%	0.898	63%	0.628	S	S	*	*	S	Bend	trans	92.2	15.8	166.4	-125.7	5.7	0	0	0	121.5
89	V	48.1	Very low	56.4	Low	95 Å²	95	121.1 Å²	121.1	58%	0.576	61%	0.608	S	S	*	*			trans	-104.3	27.5	-170.4	-175.5	0	0	0	0	115.5	I86	I86-V89 HydrophobicContact CG2-CB 3.71Å; I86-V89 HydrophobicContact CG2-CG2 3.27Å
90	N	54.1	Low	59.3	Low	124 Å²	124	114.5 Å²	114.5	66%	0.663	58%	0.577	S	S	*	*			trans	-116.5	26.6	-171.1	-81.9	-6.1	0	0	0	116.1	M78	M78-N90 HydrophobicContact CE-CB 3.58Å; M78-N90 VanDerWaalsContact CE-ND2 3.32Å; M78-N90 WeakPolarHBondContact CE-ND2 3.4Å; M78-N90 WeakPolarHBondContact CE-OD1 3.27Å
91	R	62.3	Low	61.9	Low	233 Å²	233	115.5 Å²	115.5	88%	0.879	57%	0.572	S	S	*	*	S	Bend	trans	-119.7	122.2	169.5	-75.1	-174.7	177.2	179.8	-0.5	110.3	G93	R91-G93 PolarHBondContact O-N 3.23Å
92	I	77.1	Confident	64.6	Low	100 Å²	100	113.6 Å²	113.6	51%	0.513	56%	0.555	S	S	.	*			trans	-53.8	125.4	166.1	-60.6	174.2	0	0	0	107.4	H96 E97	I92-H96 HydrophobicContact CG2-CB 3.66Å; I92-E97 HydrophobicContact CG2-CG 3.85Å
93	G	80.6	Confident	67.5	Low	20 Å²	20	103.9 Å²	103.9	21%	0.206	51%	0.514	C	S	.	.			trans	-69.4	152.8	-173.4	0	0	0	0	0	112	R91 S95 H96 E97 D169	R91-G93 PolarHBondContact O-N 3.23Å; G93-S95 PolarHBondContact O-N 3.43Å; G93-H96 WeakPolarHBondContact O-CB 3.29Å; G93-H96 PolarHBondContact O-N 2.95Å; G93-E97 PolarHBondContact O-N 3.13Å; G93-E97 VanDerWaalsContact O-N 3.13Å; G93-D169 WeakPolarHBondContact CA-OD1 3.44Å; G93-D169 VanDerWaalsContact N-CG 3.28Å; G93-D169 PolarHBondContact N-OD1 3.1Å; G93-D169 VanDerWaalsContact N-OD1 3.15Å; G93-D169 PolarHBondContact N-OD2 3.03Å
94	I	84.8	Confident	70.1	Confident	142 Å²	142	98.6 Å²	98.6	73%	0.728	49%	0.488	S	S	*	.	H	α-helix	trans	-55.9	-36.9	175.1	-64.3	171.1	0	0	0	110.8	H96 T98	I94-H96 VanDerWaalsContact C-N 3.34Å; I94-H96 PolarHBondContact O-N 3.16Å; I94-T98 WeakPolarHBondContact O-CB 3.39Å; I94-T98 PolarHBondContact O-N 2.87Å; I94-T98 PolarHBondContact O-OG1 3.43Å
95	S	84.1	Confident	73	Confident	52 Å²	52	94.8 Å²	94.8	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175	-66.3	0	0	0	0	112.4	G93 T98 L99 R389	G93-S95 PolarHBondContact O-N 3.43Å; S95-T98 PolarHBondContact O-N 3.29Å; S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 WeakPolarHBondContact O-CG 3.39Å; S95-L99 PolarHBondContact O-N 3.5Å; S95-R389 PolarHBondContact OG-NH1 3.49Å
96	H	87.4	Confident	75.8	Confident	30 Å²	30	87 Å²	87	14%	0.139	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-53.3	178.1	-173.8	122.8	0	0	0	110.6	I92 G93 I94 T98 L99 R100 L165 L168 D169 F171	I92-H96 HydrophobicContact CG2-CB 3.66Å; G93-H96 WeakPolarHBondContact O-CB 3.29Å; G93-H96 PolarHBondContact O-N 2.95Å; I94-H96 VanDerWaalsContact C-N 3.34Å; I94-H96 PolarHBondContact O-N 3.16Å; H96-T98 PolarHBondContact O-N 3.47Å; H96-L99 PolarHBondContact O-N 3.37Å; H96-L99 VanDerWaalsContact O-N 3.13Å; H96-R100 WeakPolarHBondContact O-CB 3.46Å; H96-R100 PolarHBondContact O-N 2.97Å; H96-L165 HydrophobicContact CB-CD2 4.4Å; H96-L165 VanDerWaalsContact O-CD2 3.31Å; H96-L165 WeakPolarHBondContact O-CD2 3.34Å; H96-L168 HydrophobicContact CB-CB 4.49Å; H96-L168 HydrophobicContact CB-CD1 4.18Å; H96-D169 WeakPolarHBondContact CB-OD2 3.31Å; H96-D169 IonicContact CG-OD2 2.67Å; H96-D169 IonicContact ND1-OD2 3.94Å; H96-D169 PolarHBondContact ND1-OD2 2.82Å; H96-F171 AromaticContact CE1-CE2 3.68Å; H96-F171 AromaticContact ND1-CE2 3.75Å
97	E	88.3	Confident	78	Confident	33 Å²	33	81.1 Å²	81.1	15%	0.154	40%	0.404	C	S	.	.	H	α-helix	trans	-64.6	-27.4	179.6	-76	-57.4	126.8	0	0	113.3	I92 G93 R100 R101	I92-E97 HydrophobicContact CG2-CG 3.85Å; G93-E97 PolarHBondContact O-N 3.13Å; G93-E97 VanDerWaalsContact O-N 3.13Å; E97-R100 IonicContact OE1-CZ 3.62Å; E97-R100 IonicContact OE1-NE 3.21Å; E97-R100 IonicContact OE1-NH1 3.67Å; E97-R100 PolarHBondContact OE1-NH1 3.3Å; E97-R100 IonicContact OE2-CZ 3.36Å; E97-R100 IonicContact OE2-NE 3.37Å; E97-R100 PolarHBondContact OE2-NE 3.48Å; E97-R100 IonicContact OE2-NH1 3.55Å; E97-R100 PolarHBondContact OE2-NH1 2.91Å; E97-R100 IonicContact OE2-NH2 3.77Å; E97-R100 PolarHBondContact OE2-NH2 3.43Å; E97-R101 WeakPolarHBondContact O-CB 3.38Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.16Å; E97-R101 PolarHBondContact O-NE 3.36Å
98	T	88.5	Confident	80.6	Confident	41 Å²	41	78.6 Å²	78.6	25%	0.252	38%	0.382	S	S	.	.	H	α-helix	trans	-66.8	-52.1	171.6	-54.7	0	0	0	0	110.4	I94 S95 H96 R100 R101 R102 R389	I94-T98 WeakPolarHBondContact O-CB 3.39Å; I94-T98 PolarHBondContact O-N 2.87Å; I94-T98 PolarHBondContact O-OG1 3.43Å; S95-T98 PolarHBondContact O-N 3.29Å; H96-T98 PolarHBondContact O-N 3.47Å; T98-R100 VanDerWaalsContact C-N 3.35Å; T98-R100 PolarHBondContact O-N 3.42Å; T98-R101 PolarHBondContact O-N 3.24Å; T98-R102 WeakPolarHBondContact O-CB 3.48Å; T98-R102 PolarHBondContact O-N 3.16Å; T98-R389 PolarHBondContact OG1-NH2 3.39Å
99	L	88.5	Confident	83	Confident	17 Å²	17	74.3 Å²	74.3	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-40.8	-178	-75	-166.4	0	0	0	111.3	S95 H96 R101 R102 A103 I161 K164 L165 L168	S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 WeakPolarHBondContact O-CG 3.39Å; S95-L99 PolarHBondContact O-N 3.5Å; H96-L99 PolarHBondContact O-N 3.37Å; H96-L99 VanDerWaalsContact O-N 3.13Å; L99-R101 PolarHBondContact O-N 2.98Å; L99-R102 PolarHBondContact O-N 3.35Å; L99-A103 PolarHBondContact O-N 3.46Å; L99-I161 HydrophobicContact CB-CG2 3.91Å; L99-I161 HydrophobicContact CD2-CD1 4.46Å; L99-I161 HydrophobicContact CD2-CG1 4.33Å; L99-I161 HydrophobicContact CD2-CG2 4.32Å; L99-I161 WeakPolarHBondContact O-CG2 3.05Å; L99-K164 HydrophobicContact CD1-CB 3.77Å; L99-K164 HydrophobicContact CD1-CG 3.63Å; L99-L165 HydrophobicContact CB-CD1 4.46Å; L99-L165 HydrophobicContact CB-CD2 3.58Å; L99-L165 HydrophobicContact CB-CG 3.84Å; L99-L165 HydrophobicContact CD1-CG 4.5Å; L99-L168 HydrophobicContact CD1-CD1 3.68Å; L99-L168 HydrophobicContact CG-CD1 4.37Å
100	R	90.1	Very high	84.7	Confident	68 Å²	68	70.3 Å²	70.3	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-57.1	-49.2	175	-167.8	-171.5	91.3	177.9	13.5	111.7	H96 E97 T98 R102 A103 L104 L165	H96-R100 WeakPolarHBondContact O-CB 3.46Å; H96-R100 PolarHBondContact O-N 2.97Å; E97-R100 IonicContact OE1-CZ 3.62Å; E97-R100 IonicContact OE1-NE 3.21Å; E97-R100 IonicContact OE1-NH1 3.67Å; E97-R100 PolarHBondContact OE1-NH1 3.3Å; E97-R100 IonicContact OE2-CZ 3.36Å; E97-R100 IonicContact OE2-NE 3.37Å; E97-R100 PolarHBondContact OE2-NE 3.48Å; E97-R100 IonicContact OE2-NH1 3.55Å; E97-R100 PolarHBondContact OE2-NH1 2.91Å; E97-R100 IonicContact OE2-NH2 3.77Å; E97-R100 PolarHBondContact OE2-NH2 3.43Å; T98-R100 VanDerWaalsContact C-N 3.35Å; T98-R100 PolarHBondContact O-N 3.42Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 3.41Å; R100-A103 PolarHBondContact O-N 3Å; R100-L104 PolarHBondContact O-N 3.32Å; R100-L104 VanDerWaalsContact O-N 3.13Å; R100-L165 HydrophobicContact CB-CD2 4.37Å
101	R	91.5	Very high	86	Confident	155 Å²	155	66.6 Å²	66.6	59%	0.585	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-38.1	176.5	-77.5	-178.6	-91.7	-153.7	-4.8	112.4	E97 T98 L99 L104 N105	E97-R101 WeakPolarHBondContact O-CB 3.38Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.16Å; E97-R101 PolarHBondContact O-NE 3.36Å; T98-R101 PolarHBondContact O-N 3.24Å; L99-R101 PolarHBondContact O-N 2.98Å; R101-L104 PolarHBondContact O-N 3.31Å; R101-N105 PolarHBondContact O-N 3.03Å
102	R	90.5	Very high	87.2	Confident	105 Å²	105	59.6 Å²	59.6	40%	0.396	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-37.3	176.9	-168.6	172.4	178.7	172	2.8	112.7	T98 L99 R100 N105 Y106 I161	T98-R102 WeakPolarHBondContact O-CB 3.48Å; T98-R102 PolarHBondContact O-N 3.16Å; L99-R102 PolarHBondContact O-N 3.35Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 3.41Å; R102-N105 WeakPolarHBondContact O-CB 3.28Å; R102-N105 PolarHBondContact O-N 2.77Å; R102-Y106 HydrophobicContact CG-CE2 4.05Å; R102-Y106 PolarHBondContact NE-OH 3.45Å; R102-Y106 VanDerWaalsContact NE-OH 3.08Å; R102-Y106 PolarHBondContact NH2-OH 3.32Å; R102-Y106 PolarHBondContact O-N 3.46Å; R102-I161 HydrophobicContact CB-CD1 3.79Å; R102-I161 VanDerWaalsContact CD-CD1 3.46Å; R102-I161 HydrophobicContact CG-CD1 3.42Å; R102-I161 VanDerWaalsContact CG-CD1 3.42Å
103	A	89.7	Confident	87.5	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-45.9	171.9	0	0	0	0	0	111.4	F10 L99 R100 N105 Y106 V107 L158 I161 L162	F10-A103 HydrophobicContact CZ-CB 4.19Å; L99-A103 PolarHBondContact O-N 3.46Å; R100-A103 PolarHBondContact O-N 3Å; A103-N105 VanDerWaalsContact C-N 3.31Å; A103-N105 PolarHBondContact O-N 3.36Å; A103-Y106 PolarHBondContact O-N 2.99Å; A103-V107 PolarHBondContact O-N 2.85Å; A103-V107 VanDerWaalsContact O-N 3.08Å; A103-L158 HydrophobicContact CB-CD1 3.68Å; A103-I161 HydrophobicContact CB-CG2 3.84Å; A103-L162 HydrophobicContact CB-CD2 4.39Å
104	L	90	Very high	87.4	Confident	57 Å²	57	55.9 Å²	55.9	30%	0.298	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-41.5	174.1	-71	171.6	0	0	0	111.8	R100 R101 Y106 V107 H108	R100-L104 PolarHBondContact O-N 3.32Å; R100-L104 VanDerWaalsContact O-N 3.13Å; R101-L104 PolarHBondContact O-N 3.31Å; L104-Y106 VanDerWaalsContact C-N 3.34Å; L104-Y106 PolarHBondContact O-N 3.37Å; L104-V107 WeakPolarHBondContact O-CB 3.49Å; L104-V107 PolarHBondContact O-N 3.42Å; L104-H108 PolarHBondContact O-N 3.08Å
105	N	92.1	Very high	87.2	Confident	77 Å²	77	53.3 Å²	53.3	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-43.2	175.2	-164.2	68.3	0	0	0	111.9	R101 R102 A103 V107 H108 E109	R101-N105 PolarHBondContact O-N 3.03Å; R102-N105 WeakPolarHBondContact O-CB 3.28Å; R102-N105 PolarHBondContact O-N 2.77Å; A103-N105 VanDerWaalsContact C-N 3.31Å; A103-N105 PolarHBondContact O-N 3.36Å; N105-V107 VanDerWaalsContact C-N 3.3Å; N105-V107 PolarHBondContact O-N 3.37Å; N105-H108 CarbonylContact O-C 3.49Å; N105-H108 WeakPolarHBondContact O-CB 3.06Å; N105-H108 PolarHBondContact O-N 3.21Å; N105-H108 VanDerWaalsContact O-N 3.1Å; N105-E109 WeakPolarHBondContact O-CG 3.38Å; N105-E109 PolarHBondContact O-N 3.42Å
106	Y	90.1	Very high	86.9	Confident	34 Å²	34	54.6 Å²	54.6	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-32.8	175.8	-70	-30.2	0	0	0	113.7	R102 A103 L104 E109 A110 I154 H157 L158 I161	R102-Y106 HydrophobicContact CG-CE2 4.05Å; R102-Y106 PolarHBondContact NE-OH 3.45Å; R102-Y106 VanDerWaalsContact NE-OH 3.08Å; R102-Y106 PolarHBondContact NH2-OH 3.32Å; R102-Y106 PolarHBondContact O-N 3.46Å; A103-Y106 PolarHBondContact O-N 2.99Å; L104-Y106 VanDerWaalsContact C-N 3.34Å; L104-Y106 PolarHBondContact O-N 3.37Å; Y106-E109 PolarHBondContact O-N 3.43Å; Y106-A110 WeakPolarHBondContact O-CB 3.37Å; Y106-A110 PolarHBondContact O-N 3.4Å; Y106-I154 VanDerWaalsContact O-CG2 3.29Å; Y106-I154 WeakPolarHBondContact O-CG2 3.22Å; Y106-H157 HydrophobicContact CD2-CB 4.22Å; Y106-H157 HydrophobicContact CE2-CB 3.63Å; Y106-L158 HydrophobicContact CD2-CB 4.41Å; Y106-I161 HydrophobicContact CD2-CD1 3.78Å; Y106-I161 HydrophobicContact CE2-CD1 3.27Å; Y106-I161 HydrophobicContact CE2-CG1 4.17Å
107	V	86.1	Confident	86.4	Confident	13 Å²	13	55 Å²	55	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-45.3	170.4	176.8	0	0	0	0	110.7	F10 V12 I63 A103 L104 N105 E109 A110 Q111 L158	F10-V107 HydrophobicContact CD1-CG2 3.56Å; F10-V107 HydrophobicContact CE1-CG2 3.18Å; F10-V107 HydrophobicContact CZ-CG2 4.22Å; V12-V107 HydrophobicContact CG2-CG2 4.07Å; I63-V107 HydrophobicContact CD1-CG1 4.44Å; A103-V107 PolarHBondContact O-N 2.85Å; A103-V107 VanDerWaalsContact O-N 3.08Å; L104-V107 WeakPolarHBondContact O-CB 3.49Å; L104-V107 PolarHBondContact O-N 3.42Å; N105-V107 VanDerWaalsContact C-N 3.3Å; N105-V107 PolarHBondContact O-N 3.37Å; V107-E109 VanDerWaalsContact C-N 3.35Å; V107-E109 PolarHBondContact O-N 3.49Å; V107-A110 PolarHBondContact O-N 3.18Å; V107-Q111 WeakPolarHBondContact O-CG 3.38Å; V107-Q111 PolarHBondContact O-N 2.67Å; V107-L158 HydrophobicContact CG2-CD2 4.19Å
108	H	88.5	Confident	85.8	Confident	84 Å²	84	58.2 Å²	58.2	39%	0.389	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177	-61.5	159.2	0	0	0	111.9	L104 N105 Q111 N112	L104-H108 PolarHBondContact O-N 3.08Å; N105-H108 CarbonylContact O-C 3.49Å; N105-H108 WeakPolarHBondContact O-CB 3.06Å; N105-H108 PolarHBondContact O-N 3.21Å; N105-H108 VanDerWaalsContact O-N 3.1Å; H108-Q111 CarbonylContact O-C 3.59Å; H108-Q111 WeakPolarHBondContact O-CB 3.21Å; H108-Q111 PolarHBondContact O-N 2.92Å; H108-N112 PolarHBondContact O-N 3.49Å; H108-N112 PolarHBondContact O-ND2 2.64Å; H108-N112 PolarHBondContact O-OD1 3.07Å
109	E	90	Very high	85.3	Confident	79 Å²	79	59.1 Å²	59.1	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-42.3	175.3	-65.1	-53.4	161.6	0	0	111.9	N105 Y106 V107 Q111 N112 T113 I154	N105-E109 WeakPolarHBondContact O-CG 3.38Å; N105-E109 PolarHBondContact O-N 3.42Å; Y106-E109 PolarHBondContact O-N 3.43Å; V107-E109 VanDerWaalsContact C-N 3.35Å; V107-E109 PolarHBondContact O-N 3.49Å; E109-Q111 PolarHBondContact O-N 3.23Å; E109-N112 WeakPolarHBondContact O-CB 3.41Å; E109-N112 PolarHBondContact O-N 2.96Å; E109-N112 VanDerWaalsContact O-N 3.1Å; E109-N112 PolarHBondContact OE2-ND2 2.99Å; E109-T113 WeakPolarHBondContact O-CG2 3.5Å; E109-T113 PolarHBondContact O-N 3.35Å; E109-I154 HydrophobicContact CB-CD1 4.25Å
110	A	84.9	Confident	84.7	Confident	10 Å²	10	58.9 Å²	58.9	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-41	172.6	0	0	0	0	0	111	V12 Y106 V107 T113 I154	V12-A110 HydrophobicContact CG1-CB 4.01Å; Y106-A110 WeakPolarHBondContact O-CB 3.37Å; Y106-A110 PolarHBondContact O-N 3.4Å; V107-A110 PolarHBondContact O-N 3.18Å; A110-T113 PolarHBondContact O-N 3.13Å; A110-T113 PolarHBondContact O-OG1 3.05Å; A110-I154 HydrophobicContact CB-CG2 3.95Å
111	Q	81.8	Confident	84	Confident	46 Å²	46	56.2 Å²	56.2	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-42.2	174.2	-69.8	176.3	-49.7	0	0	112.4	F59 V107 H108 E109 T113 L114	F59-Q111 VanDerWaalsContact CD1-NE2 3.3Å; F59-Q111 VanDerWaalsContact CE1-NE2 3.27Å; V107-Q111 WeakPolarHBondContact O-CG 3.38Å; V107-Q111 PolarHBondContact O-N 2.67Å; H108-Q111 CarbonylContact O-C 3.59Å; H108-Q111 WeakPolarHBondContact O-CB 3.21Å; H108-Q111 PolarHBondContact O-N 2.92Å; E109-Q111 PolarHBondContact O-N 3.23Å; Q111-T113 PolarHBondContact O-N 3.39Å; Q111-L114 WeakPolarHBondContact O-CB 3.47Å; Q111-L114 PolarHBondContact O-N 3.08Å
112	N	86	Confident	83.4	Confident	86 Å²	86	52.1 Å²	52.1	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-37.8	176.2	-66.9	-22.5	0	0	0	110.8	H108 E109 L114 T115	H108-N112 PolarHBondContact O-N 3.49Å; H108-N112 PolarHBondContact O-ND2 2.64Å; H108-N112 PolarHBondContact O-OD1 3.07Å; E109-N112 WeakPolarHBondContact O-CB 3.41Å; E109-N112 PolarHBondContact O-N 2.96Å; E109-N112 VanDerWaalsContact O-N 3.1Å; E109-N112 PolarHBondContact OE2-ND2 2.99Å; N112-L114 PolarHBondContact O-N 3.25Å; N112-T115 WeakPolarHBondContact O-CB 3.46Å; N112-T115 WeakPolarHBondContact O-CG2 3.01Å; N112-T115 PolarHBondContact O-N 3.39Å; N112-T115 PolarHBondContact O-OG1 3.04Å
113	T	83.8	Confident	82.6	Confident	15 Å²	15	51.6 Å²	51.6	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-24.1	175.5	69	0	0	0	0	113.4	E109 A110 Q111 T115 N116 L117 Y147 V151 I154	E109-T113 WeakPolarHBondContact O-CG2 3.5Å; E109-T113 PolarHBondContact O-N 3.35Å; A110-T113 PolarHBondContact O-N 3.13Å; A110-T113 PolarHBondContact O-OG1 3.05Å; Q111-T113 PolarHBondContact O-N 3.39Å; T113-T115 PolarHBondContact O-N 3.14Å; T113-N116 VanDerWaalsContact O-CB 3.27Å; T113-N116 WeakPolarHBondContact O-CB 3.35Å; T113-N116 PolarHBondContact O-N 2.88Å; T113-L117 PolarHBondContact O-N 3.37Å; T113-Y147 WeakPolarHBondContact O-CD2 3.42Å; T113-Y147 WeakPolarHBondContact O-CE2 3.29Å; T113-V151 WeakPolarHBondContact OG1-CG2 3.38Å; T113-I154 HydrophobicContact CG2-CD1 3.8Å
114	L	78.2	Confident	81.7	Confident	27 Å²	27	52.4 Å²	52.4	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-22.9	175.2	-62.1	164	0	0	0	112.1	W15 V56 Q111 N112 N116 L117 H118 Y147	W15-L114 HydrophobicContact CG-CD2 4.39Å; V56-L114 HydrophobicContact CG2-CD1 3.97Å; Q111-L114 WeakPolarHBondContact O-CB 3.47Å; Q111-L114 PolarHBondContact O-N 3.08Å; N112-L114 PolarHBondContact O-N 3.25Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.22Å; L114-L117 HydrophobicContact CD2-CD2 4.43Å; L114-L117 PolarHBondContact O-N 3.09Å; L114-H118 WeakPolarHBondContact O-CB 3.38Å; L114-H118 PolarHBondContact O-N 3.34Å; L114-Y147 VanDerWaalsContact CD2-OH 3.26Å; L114-Y147 WeakPolarHBondContact CD2-OH 3.39Å
115	T	81.8	Confident	80.8	Confident	89 Å²	89	54.5 Å²	54.5	55%	0.546	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-33.5	171.5	67.1	0	0	0	0	111.9	N112 T113 H118 S119	N112-T115 WeakPolarHBondContact O-CB 3.46Å; N112-T115 WeakPolarHBondContact O-CG2 3.01Å; N112-T115 PolarHBondContact O-N 3.39Å; N112-T115 PolarHBondContact O-OG1 3.04Å; T113-T115 PolarHBondContact O-N 3.14Å; T115-H118 WeakPolarHBondContact O-CB 3.48Å; T115-H118 PolarHBondContact O-N 2.87Å; T115-S119 WeakPolarHBondContact O-CB 3.47Å; T115-S119 PolarHBondContact O-N 3.26Å
116	N	76.7	Confident	79.6	Confident	79 Å²	79	53.7 Å²	53.7	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-65.7	-44.3	172.6	-62.8	-25.7	0	0	0	110.6	T113 L114 H118 S119 I120 Y147	T113-N116 VanDerWaalsContact O-CB 3.27Å; T113-N116 WeakPolarHBondContact O-CB 3.35Å; T113-N116 PolarHBondContact O-N 2.88Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.22Å; N116-H118 VanDerWaalsContact C-N 3.3Å; N116-H118 PolarHBondContact O-N 2.86Å; N116-S119 WeakPolarHBondContact O-CB 3.25Å; N116-S119 PolarHBondContact O-N 2.91Å; N116-I120 VanDerWaalsContact O-CG1 3.3Å; N116-I120 WeakPolarHBondContact O-CG1 3.3Å; N116-I120 PolarHBondContact O-N 3.12Å; N116-Y147 HydrophobicContact CB-CD2 4.43Å
117	L	77	Confident	78.4	Confident	37 Å²	37	55.5 Å²	55.5	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-39.8	176	-175.1	64.7	0	0	0	111.4	T113 L114 I120 S121 L144 Y147	T113-L117 PolarHBondContact O-N 3.37Å; L114-L117 HydrophobicContact CD2-CD2 4.43Å; L114-L117 PolarHBondContact O-N 3.09Å; L117-I120 PolarHBondContact O-N 3.21Å; L117-S121 WeakPolarHBondContact O-CB 3.27Å; L117-S121 PolarHBondContact O-N 2.87Å; L117-L144 HydrophobicContact CD1-CD2 4.14Å; L117-Y147 HydrophobicContact CB-CD2 4.47Å; L117-Y147 HydrophobicContact CB-CE1 4.27Å; L117-Y147 HydrophobicContact CB-CE2 4.07Å; L117-Y147 HydrophobicContact CD1-CD1 4.33Å; L117-Y147 HydrophobicContact CD1-CE1 4.16Å; L117-Y147 HydrophobicContact CD2-CE1 4.09Å; L117-Y147 HydrophobicContact CG-CE1 4.41Å
118	H	76	Confident	77.4	Confident	102 Å²	102	62 Å²	62	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-45.2	174.1	-175.6	62.6	0	0	0	111.5	L114 T115 N116 I120 S121 T122	L114-H118 WeakPolarHBondContact O-CB 3.38Å; L114-H118 PolarHBondContact O-N 3.34Å; T115-H118 WeakPolarHBondContact O-CB 3.48Å; T115-H118 PolarHBondContact O-N 2.87Å; N116-H118 VanDerWaalsContact C-N 3.3Å; N116-H118 PolarHBondContact O-N 2.86Å; H118-I120 PolarHBondContact O-N 3.46Å; H118-S121 WeakPolarHBondContact O-CB 3.49Å; H118-S121 PolarHBondContact O-N 3.11Å; H118-T122 PolarHBondContact O-N 3.24Å; H118-T122 PolarHBondContact O-OG1 2.97Å; H118-T122 VanDerWaalsContact O-OG1 3.04Å
119	S	78.8	Confident	76	Confident	60 Å²	60	62.3 Å²	62.3	42%	0.42	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-46.1	175.3	-177.6	0	0	0	0	112	T115 N116 S121 T122 Q123	T115-S119 WeakPolarHBondContact O-CB 3.47Å; T115-S119 PolarHBondContact O-N 3.26Å; N116-S119 WeakPolarHBondContact O-CB 3.25Å; N116-S119 PolarHBondContact O-N 2.91Å; S119-S121 VanDerWaalsContact C-N 3.35Å; S119-S121 PolarHBondContact O-N 3.15Å; S119-T122 PolarHBondContact O-N 2.94Å; S119-Q123 WeakPolarHBondContact O-CG 3.46Å; S119-Q123 PolarHBondContact O-N 3.29Å
120	I	75.5	Confident	74.7	Confident	11 Å²	11	67.9 Å²	67.9	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-44.1	175.9	-65.5	164.3	0	0	0	110.7	N116 L117 H118 T122 Q123 L124 I140 L144	N116-I120 VanDerWaalsContact O-CG1 3.3Å; N116-I120 WeakPolarHBondContact O-CG1 3.3Å; N116-I120 PolarHBondContact O-N 3.12Å; L117-I120 PolarHBondContact O-N 3.21Å; H118-I120 PolarHBondContact O-N 3.46Å; I120-T122 PolarHBondContact O-N 3.48Å; I120-Q123 PolarHBondContact O-N 2.87Å; I120-L124 HydrophobicContact CG2-CD1 3.92Å; I120-L124 HydrophobicContact CG2-CG 4.49Å; I120-L124 WeakPolarHBondContact O-CB 3.45Å; I120-L124 VanDerWaalsContact O-CG 3.27Å; I120-L124 WeakPolarHBondContact O-CG 3.49Å; I120-L124 PolarHBondContact O-N 2.79Å; I120-I140 HydrophobicContact CG2-CG2 4.18Å; I120-L144 HydrophobicContact CD1-CD2 4.08Å; I120-L144 HydrophobicContact CD1-CG 4.37Å; I120-L144 HydrophobicContact CG2-CD2 3.97Å; I120-L144 HydrophobicContact CG2-CG 4.18Å
121	S	74.7	Confident	73.7	Confident	12 Å²	12	71.5 Å²	71.5	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.4	177.4	0	0	0	0	112.3	A49 L117 H118 S119 L124 Q125	A49-S121 WeakPolarHBondContact CB-OG 3.49Å; L117-S121 WeakPolarHBondContact O-CB 3.27Å; L117-S121 PolarHBondContact O-N 2.87Å; H118-S121 WeakPolarHBondContact O-CB 3.49Å; H118-S121 PolarHBondContact O-N 3.11Å; S119-S121 VanDerWaalsContact C-N 3.35Å; S119-S121 PolarHBondContact O-N 3.15Å; S121-L124 PolarHBondContact O-N 3.44Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.38Å
122	T	78.6	Confident	73	Confident	69 Å²	69	70.6 Å²	70.6	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-39.6	-180	-58.8	0	0	0	0	111	H118 S119 I120 L124 Q125 G126	H118-T122 PolarHBondContact O-N 3.24Å; H118-T122 PolarHBondContact O-OG1 2.97Å; H118-T122 VanDerWaalsContact O-OG1 3.04Å; S119-T122 PolarHBondContact O-N 2.94Å; I120-T122 PolarHBondContact O-N 3.48Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 3.47Å; T122-Q125 PolarHBondContact O-N 3.23Å; T122-G126 PolarHBondContact O-N 2.94Å
123	Q	74	Confident	72.4	Confident	95 Å²	95	70.4 Å²	70.4	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-46.7	171.6	-73.9	175.1	-10.4	0	0	111.1	S119 I120 Q125 G126 F127	S119-Q123 WeakPolarHBondContact O-CG 3.46Å; S119-Q123 PolarHBondContact O-N 3.29Å; I120-Q123 PolarHBondContact O-N 2.87Å; Q123-Q125 VanDerWaalsContact C-N 3.32Å; Q123-Q125 PolarHBondContact O-N 3.22Å; Q123-G126 PolarHBondContact O-N 2.97Å; Q123-G126 VanDerWaalsContact O-N 3.09Å; Q123-F127 HydrophobicContact CB-CE2 4.36Å; Q123-F127 WeakPolarHBondContact O-CD2 3.38Å; Q123-F127 WeakPolarHBondContact O-CE2 3.35Å; Q123-F127 PolarHBondContact O-N 3.49Å
124	L	71.4	Confident	72	Confident	18 Å²	18	76 Å²	76	9%	0.094	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-36.2	178.2	-73.9	165.5	0	0	0	113.2	W42 L45 I120 S121 T122 G126 F127 I140	W42-L124 HydrophobicContact CH2-CD2 3.7Å; W42-L124 HydrophobicContact CZ3-CD2 3.73Å; L45-L124 HydrophobicContact CD2-CD1 4.01Å; L45-L124 HydrophobicContact CD2-CD2 4.32Å; I120-L124 HydrophobicContact CG2-CD1 3.92Å; I120-L124 HydrophobicContact CG2-CG 4.49Å; I120-L124 WeakPolarHBondContact O-CB 3.45Å; I120-L124 VanDerWaalsContact O-CG 3.27Å; I120-L124 WeakPolarHBondContact O-CG 3.49Å; I120-L124 PolarHBondContact O-N 2.79Å; S121-L124 PolarHBondContact O-N 3.44Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 3.47Å; L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 2.95Å; L124-F127 PolarHBondContact O-N 3.31Å; L124-I140 HydrophobicContact CD2-CD1 3.79Å; L124-I140 HydrophobicContact CD2-CG2 4.21Å; L124-I140 HydrophobicContact CG-CD1 4.48Å
125	Q	70.6	Confident	72.1	Confident	102 Å²	102	81.9 Å²	81.9	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-68.4	-25	175.9	-74.8	176.2	-6.1	0	0	113.1	I46 S121 T122 Q123	I46-Q125 HydrophobicContact CG2-CG 4.35Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.38Å; T122-Q125 PolarHBondContact O-N 3.23Å; Q123-Q125 VanDerWaalsContact C-N 3.32Å; Q123-Q125 PolarHBondContact O-N 3.22Å
126	G	67.3	Low	71.8	Confident	60 Å²	60	79.2 Å²	79.2	62%	0.619	41%	0.411	S	S	*	.	H	α-helix	trans	-82.7	-14.6	179.2	0	0	0	0	0	114.7	T122 Q123 L124	T122-G126 PolarHBondContact O-N 2.94Å; Q123-G126 PolarHBondContact O-N 2.97Å; Q123-G126 VanDerWaalsContact O-N 3.09Å; L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 2.95Å
127	F	65.8	Low	71.6	Confident	72 Å²	72	76.3 Å²	76.3	32%	0.316	40%	0.396	S	S	.	.			trans	-88.8	123.2	179.2	-71.7	-67.9	0	0	0	111.2	Q123 L124 D131 L132 T136 I140	Q123-F127 HydrophobicContact CB-CE2 4.36Å; Q123-F127 WeakPolarHBondContact O-CD2 3.38Å; Q123-F127 WeakPolarHBondContact O-CE2 3.35Å; Q123-F127 PolarHBondContact O-N 3.49Å; L124-F127 PolarHBondContact O-N 3.31Å; F127-D131 HydrophobicContact CD1-CB 3.97Å; F127-L132 HydrophobicContact CB-CD2 4.31Å; F127-L132 HydrophobicContact CB-CG 4.41Å; F127-L132 HydrophobicContact CG-CD2 4.36Å; F127-T136 HydrophobicContact CD1-CG2 4.45Å; F127-T136 HydrophobicContact CD2-CG2 4.43Å; F127-T136 HydrophobicContact CE1-CG2 3.8Å; F127-T136 HydrophobicContact CE2-CG2 3.78Å; F127-T136 HydrophobicContact CZ-CG2 3.43Å; F127-T136 VanDerWaalsContact CZ-CG2 3.43Å; F127-I140 HydrophobicContact CD2-CD1 4.43Å; F127-I140 HydrophobicContact CE2-CD1 4.18Å
128	H	63.1	Low	71.7	Confident	148 Å²	148	78 Å²	78	69%	0.685	41%	0.411	S	S	*	.			trans	-76.8	151.9	158.8	-78.3	-74.8	0	0	0	109.1	K130 D131	H128-K130 PolarHBondContact O-N 3.38Å; H128-D131 PolarHBondContact N-OD2 2.94Å; H128-D131 PolarHBondContact O-N 3.09Å
129	H	59.4	Low	72	Confident	91 Å²	91	76.5 Å²	76.5	42%	0.421	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-25.4	-178.9	-174.8	-58.4	0	0	0	113.6	Y29	Y29-H129 AromaticContact CE2-CD2 3.87Å; Y29-H129 AromaticContact CE2-NE2 3.44Å; Y29-H129 WeakPolarHBondContact CE2-NE2 3.43Å; Y29-H129 AromaticContact CZ-NE2 3.53Å; Y29-H129 PolarHBondContact OH-CD2 3.44Å; Y29-H129 VanDerWaalsContact OH-CD2 3.27Å; Y29-H129 PolarHBondContact OH-CE1 3.06Å; Y29-H129 PolarHBondContact OH-NE2 3.47Å
130	K	63.4	Low	72	Confident	196 Å²	196	74.2 Å²	74.2	85%	0.852	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.5	179.9	-64.4	-176.8	179.4	179.8	0	114.2	H128	H128-K130 PolarHBondContact O-N 3.38Å
131	D	63.2	Low	72.2	Confident	87 Å²	87	77.5 Å²	77.5	47%	0.465	41%	0.41	S	S	.	.	S	Bend	trans	-97.1	-4.6	-173.1	-53.5	-40.3	0	0	0	112.9	F127 H128 N133	F127-D131 HydrophobicContact CD1-CB 3.97Å; H128-D131 PolarHBondContact N-OD2 2.94Å; H128-D131 PolarHBondContact O-N 3.09Å; D131-N133 PolarHBondContact O-N 3.31Å
132	L	66.9	Low	72.7	Confident	27 Å²	27	79.2 Å²	79.2	14%	0.141	43%	0.425	C	S	.	.			trans	-80.7	81.9	179.5	-70.6	162.2	0	0	0	110.7	W42 F127 T136 V137	W42-L132 HydrophobicContact CH2-CD1 3.96Å; W42-L132 HydrophobicContact CH2-CD2 4.43Å; W42-L132 HydrophobicContact CZ2-CD1 3.35Å; W42-L132 HydrophobicContact CZ2-CD2 4.48Å; F127-L132 HydrophobicContact CB-CD2 4.31Å; F127-L132 HydrophobicContact CB-CG 4.41Å; F127-L132 HydrophobicContact CG-CD2 4.36Å; L132-T136 HydrophobicContact CD2-CG2 4.43Å; L132-V137 HydrophobicContact CB-CG2 4.27Å; L132-V137 HydrophobicContact CD2-CG2 4.18Å
133	N	73.1	Confident	73	Confident	81 Å²	81	78 Å²	78	43%	0.433	42%	0.419	S	S	.	.			trans	-74.9	162.7	165.6	73	21.1	0	0	0	110.8	D131 E135 T136 V137	D131-N133 PolarHBondContact O-N 3.31Å; N133-E135 PolarHBondContact O-N 3.03Å; N133-E135 VanDerWaalsContact O-N 3.16Å; N133-E135 WeakPolarHBondContact OD1-CB 3.35Å; N133-E135 PolarHBondContact OD1-N 3.23Å; N133-T136 PolarHBondContact O-N 3.49Å; N133-T136 WeakPolarHBondContact OD1-CB 3.46Å; N133-T136 PolarHBondContact OD1-N 2.91Å; N133-T136 PolarHBondContact OD1-OG1 3.26Å; N133-V137 WeakPolarHBondContact O-CG2 3.33Å; N133-V137 PolarHBondContact O-N 2.91Å
134	N	75.8	Confident	73.3	Confident	132 Å²	132	73.5 Å²	73.5	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-58.3	-29.7	-178.4	-75.5	-13.7	0	0	0	113.2	S138	N134-S138 WeakPolarHBondContact O-CB 3.49Å; N134-S138 PolarHBondContact O-N 2.96Å; N134-S138 PolarHBondContact O-OG 2.76Å
135	E	80.7	Confident	73.9	Confident	152 Å²	152	75.1 Å²	75.1	71%	0.71	41%	0.406	S	S	*	.	H	α-helix	trans	-71.3	-48	-178.7	-171.1	176	-173.2	0	0	111.5	N133 V137 S138 S139	N133-E135 PolarHBondContact O-N 3.03Å; N133-E135 VanDerWaalsContact O-N 3.16Å; N133-E135 WeakPolarHBondContact OD1-CB 3.35Å; N133-E135 PolarHBondContact OD1-N 3.23Å; E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 3.4Å; E135-S138 PolarHBondContact O-N 2.89Å; E135-S139 WeakPolarHBondContact O-CB 3.46Å; E135-S139 PolarHBondContact O-N 3.29Å
136	T	75.4	Confident	74.7	Confident	33 Å²	33	77.9 Å²	77.9	20%	0.202	41%	0.413	C	S	.	.	H	α-helix	trans	-57.6	-45.7	174.6	-61.6	0	0	0	0	111	F127 L132 N133 S138 S139 I140	F127-T136 HydrophobicContact CD1-CG2 4.45Å; F127-T136 HydrophobicContact CD2-CG2 4.43Å; F127-T136 HydrophobicContact CE1-CG2 3.8Å; F127-T136 HydrophobicContact CE2-CG2 3.78Å; F127-T136 HydrophobicContact CZ-CG2 3.43Å; F127-T136 VanDerWaalsContact CZ-CG2 3.43Å; L132-T136 HydrophobicContact CD2-CG2 4.43Å; N133-T136 PolarHBondContact O-N 3.49Å; N133-T136 WeakPolarHBondContact OD1-CB 3.46Å; N133-T136 PolarHBondContact OD1-N 2.91Å; N133-T136 PolarHBondContact OD1-OG1 3.26Å; T136-S138 PolarHBondContact O-N 3.26Å; T136-S139 WeakPolarHBondContact O-CB 3.5Å; T136-S139 PolarHBondContact O-N 2.86Å; T136-I140 HydrophobicContact CG2-CD1 3.94Å; T136-I140 VanDerWaalsContact O-CG1 3.32Å; T136-I140 WeakPolarHBondContact O-CG1 3.45Å; T136-I140 PolarHBondContact O-N 3.04Å
137	V	72.5	Confident	75.5	Confident	17 Å²	17	75.5 Å²	75.5	10%	0.103	39%	0.385	C	S	.	.	H	α-helix	trans	-61.1	-47.4	177.8	171.8	0	0	0	0	111.1	F30 L132 N133 E135 S139 I140 Q141	F30-V137 HydrophobicContact CD2-CG1 4.41Å; F30-V137 HydrophobicContact CE1-CG1 4.26Å; F30-V137 HydrophobicContact CE1-CG2 4.19Å; F30-V137 HydrophobicContact CE2-CG1 3.39Å; F30-V137 HydrophobicContact CE2-CG2 4.36Å; F30-V137 HydrophobicContact CZ-CB 4.01Å; F30-V137 HydrophobicContact CZ-CG1 3.33Å; F30-V137 HydrophobicContact CZ-CG2 3.5Å; F30-V137 VanDerWaalsContact CZ-CG2 3.5Å; L132-V137 HydrophobicContact CB-CG2 4.27Å; L132-V137 HydrophobicContact CD2-CG2 4.18Å; N133-V137 WeakPolarHBondContact O-CG2 3.33Å; N133-V137 PolarHBondContact O-N 2.91Å; E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 3.4Å; V137-S139 VanDerWaalsContact C-N 3.29Å; V137-S139 PolarHBondContact O-N 2.6Å; V137-I140 PolarHBondContact O-N 3.44Å; V137-Q141 WeakPolarHBondContact O-CB 2.91Å; V137-Q141 PolarHBondContact O-N 2.89Å
138	S	79.6	Confident	76.4	Confident	72 Å²	72	75.9 Å²	75.9	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-39.1	179.3	-60.5	0	0	0	0	111.5	N134 E135 T136 Q141 A142	N134-S138 WeakPolarHBondContact O-CB 3.49Å; N134-S138 PolarHBondContact O-N 2.96Å; N134-S138 PolarHBondContact O-OG 2.76Å; E135-S138 PolarHBondContact O-N 2.89Å; T136-S138 PolarHBondContact O-N 3.26Å; S138-Q141 PolarHBondContact O-N 3.24Å; S138-A142 WeakPolarHBondContact O-CB 3.3Å; S138-A142 PolarHBondContact O-N 3.03Å
139	S	82.8	Confident	77.5	Confident	71 Å²	71	73.8 Å²	73.8	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-45.4	175.8	-178.2	0	0	0	0	112.5	E135 T136 V137 A142 S143	E135-S139 WeakPolarHBondContact O-CB 3.46Å; E135-S139 PolarHBondContact O-N 3.29Å; T136-S139 WeakPolarHBondContact O-CB 3.5Å; T136-S139 PolarHBondContact O-N 2.86Å; V137-S139 VanDerWaalsContact C-N 3.29Å; V137-S139 PolarHBondContact O-N 2.6Å; S139-A142 PolarHBondContact O-N 3.39Å; S139-S143 WeakPolarHBondContact O-CB 3.3Å; S139-S143 PolarHBondContact O-N 3.21Å; S139-S143 PolarHBondContact O-OG 3.46Å
140	I	79.1	Confident	78.8	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.062	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-45.1	176.5	-68.2	168.3	0	0	0	110.4	I120 L124 F127 T136 V137 A142 S143 L144	I120-I140 HydrophobicContact CG2-CG2 4.18Å; L124-I140 HydrophobicContact CD2-CD1 3.79Å; L124-I140 HydrophobicContact CD2-CG2 4.21Å; L124-I140 HydrophobicContact CG-CD1 4.48Å; F127-I140 HydrophobicContact CD2-CD1 4.43Å; F127-I140 HydrophobicContact CE2-CD1 4.18Å; T136-I140 HydrophobicContact CG2-CD1 3.94Å; T136-I140 VanDerWaalsContact O-CG1 3.32Å; T136-I140 WeakPolarHBondContact O-CG1 3.45Å; T136-I140 PolarHBondContact O-N 3.04Å; V137-I140 PolarHBondContact O-N 3.44Å; I140-A142 PolarHBondContact O-N 3.25Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 2.88Å; I140-L144 HydrophobicContact CG2-CD1 3.97Å; I140-L144 HydrophobicContact CG2-CG 4.45Å; I140-L144 WeakPolarHBondContact O-CG 3.42Å; I140-L144 PolarHBondContact O-N 3.36Å
141	Q	78.2	Confident	79.9	Confident	81 Å²	81	63.5 Å²	63.5	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-44.8	177.9	-175.5	177.5	-17.6	0	0	111.4	V137 S138 S143 L144 I145	V137-Q141 WeakPolarHBondContact O-CB 2.91Å; V137-Q141 PolarHBondContact O-N 2.89Å; S138-Q141 PolarHBondContact O-N 3.24Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.46Å; Q141-L144 PolarHBondContact O-N 2.96Å; Q141-I145 HydrophobicContact CG-CD1 3.97Å; Q141-I145 WeakPolarHBondContact O-CB 3.19Å; Q141-I145 VanDerWaalsContact O-CG1 3.26Å; Q141-I145 WeakPolarHBondContact O-CG1 3.48Å; Q141-I145 PolarHBondContact O-N 3.04Å
142	A	85.9	Confident	80.9	Confident	48 Å²	48	63.8 Å²	63.8	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175.4	0	0	0	0	0	112	S138 S139 I140 I145 R146	S138-A142 WeakPolarHBondContact O-CB 3.3Å; S138-A142 PolarHBondContact O-N 3.03Å; S139-A142 PolarHBondContact O-N 3.39Å; I140-A142 PolarHBondContact O-N 3.25Å; A142-I145 PolarHBondContact O-N 2.89Å; A142-R146 WeakPolarHBondContact O-CB 3.48Å; A142-R146 PolarHBondContact O-N 2.84Å
143	S	84.4	Confident	81.9	Confident	42 Å²	42	67.7 Å²	67.7	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-42.5	177.4	-60.3	0	0	0	0	112.2	S139 I140 Q141 R146 Y147	S139-S143 WeakPolarHBondContact O-CB 3.3Å; S139-S143 PolarHBondContact O-N 3.21Å; S139-S143 PolarHBondContact O-OG 3.46Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 2.88Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.46Å; S143-R146 PolarHBondContact O-N 3.27Å; S143-Y147 WeakPolarHBondContact O-CB 3.45Å; S143-Y147 PolarHBondContact O-N 2.79Å
144	L	81.3	Confident	82.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-40.8	175.6	-73.5	168.5	0	0	0	112.5	L22 M23 I26 L117 I120 I140 Q141 Y147 R148	L22-L144 HydrophobicContact CD2-CD1 3.69Å; L22-L144 HydrophobicContact CD2-CD2 3.7Å; L22-L144 HydrophobicContact CD2-CG 4.34Å; M23-L144 HydrophobicContact CE-CB 3.67Å; I26-L144 HydrophobicContact CD1-CD1 3.88Å; L117-L144 HydrophobicContact CD1-CD2 4.14Å; I120-L144 HydrophobicContact CD1-CD2 4.08Å; I120-L144 HydrophobicContact CD1-CG 4.37Å; I120-L144 HydrophobicContact CG2-CD2 3.97Å; I120-L144 HydrophobicContact CG2-CG 4.18Å; I140-L144 HydrophobicContact CG2-CD1 3.97Å; I140-L144 HydrophobicContact CG2-CG 4.45Å; I140-L144 WeakPolarHBondContact O-CG 3.42Å; I140-L144 PolarHBondContact O-N 3.36Å; Q141-L144 PolarHBondContact O-N 2.96Å; L144-Y147 PolarHBondContact O-N 3.25Å; L144-R148 PolarHBondContact O-N 2.88Å
145	I	83.7	Confident	83.1	Confident	52 Å²	52	59.9 Å²	59.9	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-46.5	175.2	-71.4	168.4	0	0	0	110.1	M23 Q141 A142 R148 Q149	M23-I145 HydrophobicContact CE-CG1 3.78Å; Q141-I145 HydrophobicContact CG-CD1 3.97Å; Q141-I145 WeakPolarHBondContact O-CB 3.19Å; Q141-I145 VanDerWaalsContact O-CG1 3.26Å; Q141-I145 WeakPolarHBondContact O-CG1 3.48Å; Q141-I145 PolarHBondContact O-N 3.04Å; A142-I145 PolarHBondContact O-N 2.89Å; I145-R148 WeakPolarHBondContact O-CB 3.49Å; I145-R148 PolarHBondContact O-N 3.46Å; I145-Q149 WeakPolarHBondContact O-CG 3.45Å; I145-Q149 PolarHBondContact O-N 3.36Å
146	R	86.6	Confident	83.3	Confident	161 Å²	161	54.7 Å²	54.7	61%	0.608	28%	0.283	S	S	*	.	H	α-helix	trans	-62.2	-45.3	177.9	-172.1	-176.6	-60.8	174.8	2	111.7	A142 S143 R148 Q149 N150	A142-R146 WeakPolarHBondContact O-CB 3.48Å; A142-R146 PolarHBondContact O-N 2.84Å; S143-R146 PolarHBondContact O-N 3.27Å; R146-R148 VanDerWaalsContact C-N 3.33Å; R146-R148 PolarHBondContact O-N 3.17Å; R146-Q149 PolarHBondContact O-N 2.64Å; R146-N150 VanDerWaalsContact O-CG 3.25Å; R146-N150 PolarHBondContact O-N 3Å; R146-N150 PolarHBondContact O-OD1 3.24Å
147	Y	85.3	Confident	84	Confident	9 Å²	9	55 Å²	55	4%	0.035	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-47	175.1	168.8	-102.6	0	0	0	111.4	L19 T113 L114 N116 L117 S143 L144 Q149 N150 V151	L19-Y147 HydrophobicContact CD1-CD1 3.87Å; L19-Y147 HydrophobicContact CD1-CE1 3.73Å; T113-Y147 WeakPolarHBondContact O-CD2 3.42Å; T113-Y147 WeakPolarHBondContact O-CE2 3.29Å; L114-Y147 VanDerWaalsContact CD2-OH 3.26Å; L114-Y147 WeakPolarHBondContact CD2-OH 3.39Å; N116-Y147 HydrophobicContact CB-CD2 4.43Å; L117-Y147 HydrophobicContact CB-CD2 4.47Å; L117-Y147 HydrophobicContact CB-CE1 4.27Å; L117-Y147 HydrophobicContact CB-CE2 4.07Å; L117-Y147 HydrophobicContact CD1-CD1 4.33Å; L117-Y147 HydrophobicContact CD1-CE1 4.16Å; L117-Y147 HydrophobicContact CD2-CE1 4.09Å; L117-Y147 HydrophobicContact CG-CE1 4.41Å; S143-Y147 WeakPolarHBondContact O-CB 3.45Å; S143-Y147 PolarHBondContact O-N 2.79Å; L144-Y147 PolarHBondContact O-N 3.25Å; Y147-Q149 PolarHBondContact O-N 3.24Å; Y147-N150 PolarHBondContact O-N 3.47Å; Y147-V151 HydrophobicContact CD2-CG2 4.09Å; Y147-V151 HydrophobicContact CE1-CG2 4.23Å; Y147-V151 HydrophobicContact CE2-CG2 3.59Å; Y147-V151 WeakPolarHBondContact O-CG2 3.33Å; Y147-V151 PolarHBondContact O-N 3.48Å
148	R	83.3	Confident	84.8	Confident	81 Å²	81	54.6 Å²	54.6	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-57.5	-50.7	176.6	-170.6	-174.5	63.9	-158.9	-2.9	111.8	L16 L19 L144 I145 R146 N150 V151 E152	L16-R148 HydrophobicContact CD2-CG 4.21Å; L19-R148 HydrophobicContact CD1-CB 4.44Å; L19-R148 HydrophobicContact CD2-CB 3.76Å; L19-R148 HydrophobicContact CD2-CG 4.04Å; L144-R148 PolarHBondContact O-N 2.88Å; I145-R148 WeakPolarHBondContact O-CB 3.49Å; I145-R148 PolarHBondContact O-N 3.46Å; R146-R148 VanDerWaalsContact C-N 3.33Å; R146-R148 PolarHBondContact O-N 3.17Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 2.67Å; R148-V151 PolarHBondContact O-N 2.96Å; R148-E152 HydrophobicContact CG-CG 4.29Å; R148-E152 IonicContact NE-OE1 3.58Å; R148-E152 WeakPolarHBondContact O-CB 3.42Å; R148-E152 WeakPolarHBondContact O-CG 3.46Å; R148-E152 PolarHBondContact O-N 2.98Å
149	Q	87.3	Confident	85.1	Confident	104 Å²	104	54.3 Å²	54.3	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-45.6	-178.9	-73.7	171.5	-35.2	0	0	111.5	I145 R146 Y147 V151 E152 E153	I145-Q149 WeakPolarHBondContact O-CG 3.45Å; I145-Q149 PolarHBondContact O-N 3.36Å; R146-Q149 PolarHBondContact O-N 2.64Å; Y147-Q149 PolarHBondContact O-N 3.24Å; Q149-V151 PolarHBondContact O-N 3.01Å; Q149-E152 PolarHBondContact O-N 3.18Å; Q149-E153 WeakPolarHBondContact O-CB 3.45Å; Q149-E153 PolarHBondContact O-N 2.97Å
150	N	87.3	Confident	85.2	Confident	61 Å²	61	51.5 Å²	51.5	33%	0.326	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-43.2	178	-68	-2.5	0	0	0	112	R146 Y147 R148 E153 I154	R146-N150 VanDerWaalsContact O-CG 3.25Å; R146-N150 PolarHBondContact O-N 3Å; R146-N150 PolarHBondContact O-OD1 3.24Å; Y147-N150 PolarHBondContact O-N 3.47Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 2.67Å; N150-E153 PolarHBondContact O-N 3.37Å; N150-I154 VanDerWaalsContact O-CG1 3.25Å; N150-I154 WeakPolarHBondContact O-CG1 3.48Å; N150-I154 PolarHBondContact O-N 3.49Å
151	V	85.5	Confident	85.7	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-43	178.3	171.8	0	0	0	0	111.2	L16 T113 Y147 R148 Q149 E153 I154 I155	L16-V151 HydrophobicContact CD1-CG1 4.35Å; L16-V151 HydrophobicContact CD2-CG1 4.15Å; L16-V151 HydrophobicContact CG-CG1 4.09Å; T113-V151 WeakPolarHBondContact OG1-CG2 3.38Å; Y147-V151 HydrophobicContact CD2-CG2 4.09Å; Y147-V151 HydrophobicContact CE1-CG2 4.23Å; Y147-V151 HydrophobicContact CE2-CG2 3.59Å; Y147-V151 WeakPolarHBondContact O-CG2 3.33Å; Y147-V151 PolarHBondContact O-N 3.48Å; R148-V151 PolarHBondContact O-N 2.96Å; Q149-V151 PolarHBondContact O-N 3.01Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.44Å; V151-I154 PolarHBondContact O-N 3.18Å; V151-I155 HydrophobicContact CG1-CD1 3.67Å; V151-I155 HydrophobicContact CG1-CG1 4.48Å; V151-I155 WeakPolarHBondContact O-CB 3.34Å; V151-I155 WeakPolarHBondContact O-CD1 3.35Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.47Å; V151-I155 PolarHBondContact O-N 3.37Å
152	E	84.6	Confident	86.1	Confident	93 Å²	93	49.7 Å²	49.7	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-41.9	175.9	-74.2	174.8	163.5	0	0	111.6	L16 R148 Q149 L156	L16-E152 HydrophobicContact CD2-CG 3.88Å; R148-E152 HydrophobicContact CG-CG 4.29Å; R148-E152 IonicContact NE-OE1 3.58Å; R148-E152 WeakPolarHBondContact O-CB 3.42Å; R148-E152 WeakPolarHBondContact O-CG 3.46Å; R148-E152 PolarHBondContact O-N 2.98Å; Q149-E152 PolarHBondContact O-N 3.18Å; E152-L156 WeakPolarHBondContact O-CB 3.47Å; E152-L156 PolarHBondContact O-N 2.9Å
153	E	87	Confident	86	Confident	110 Å²	110	52 Å²	52	51%	0.514	25%	0.248	S	C	.	.	H	α-helix	trans	-67.3	-43.4	177.1	-174.7	176.9	173.1	0	0	112.5	Q149 N150 V151 I155 L156 H157	Q149-E153 WeakPolarHBondContact O-CB 3.45Å; Q149-E153 PolarHBondContact O-N 2.97Å; N150-E153 PolarHBondContact O-N 3.37Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.44Å; E153-I155 VanDerWaalsContact C-N 3.33Å; E153-I155 PolarHBondContact O-N 3.48Å; E153-L156 WeakPolarHBondContact O-CB 3.47Å; E153-L156 PolarHBondContact O-N 3.07Å; E153-H157 PolarHBondContact O-CD2 2.85Å; E153-H157 VanDerWaalsContact O-CD2 3.31Å; E153-H157 PolarHBondContact O-N 3.41Å
154	I	89.1	Confident	86.1	Confident	28 Å²	28	52.9 Å²	52.9	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-44.4	176.2	-68.7	164.9	0	0	0	110.6	Y106 E109 A110 T113 N150 V151 H157 L158	Y106-I154 VanDerWaalsContact O-CG2 3.29Å; Y106-I154 WeakPolarHBondContact O-CG2 3.22Å; E109-I154 HydrophobicContact CB-CD1 4.25Å; A110-I154 HydrophobicContact CB-CG2 3.95Å; T113-I154 HydrophobicContact CG2-CD1 3.8Å; N150-I154 VanDerWaalsContact O-CG1 3.25Å; N150-I154 WeakPolarHBondContact O-CG1 3.48Å; N150-I154 PolarHBondContact O-N 3.49Å; V151-I154 PolarHBondContact O-N 3.18Å; I154-H157 PolarHBondContact O-N 3.33Å; I154-L158 WeakPolarHBondContact O-CB 3.49Å; I154-L158 PolarHBondContact O-N 3.18Å
155	I	85.9	Confident	86.3	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.108	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-44.2	178.1	-72	163.9	0	0	0	110.8	V12 L16 V151 E153 H157 L158 E159	V12-I155 HydrophobicContact CB-CG1 4.42Å; V12-I155 HydrophobicContact CG1-CD1 3.83Å; V12-I155 HydrophobicContact CG1-CG1 3.44Å; V12-I155 VanDerWaalsContact CG1-CG1 3.44Å; L16-I155 HydrophobicContact CD1-CD1 3.28Å; L16-I155 HydrophobicContact CG-CD1 4.28Å; V151-I155 HydrophobicContact CG1-CD1 3.67Å; V151-I155 HydrophobicContact CG1-CG1 4.48Å; V151-I155 WeakPolarHBondContact O-CB 3.34Å; V151-I155 WeakPolarHBondContact O-CD1 3.35Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.47Å; V151-I155 PolarHBondContact O-N 3.37Å; E153-I155 VanDerWaalsContact C-N 3.33Å; E153-I155 PolarHBondContact O-N 3.48Å; I155-H157 VanDerWaalsContact C-N 3.35Å; I155-H157 PolarHBondContact O-N 2.93Å; I155-L158 WeakPolarHBondContact O-CB 3.46Å; I155-L158 PolarHBondContact O-N 3.32Å; I155-E159 HydrophobicContact CG2-CG 4.36Å; I155-E159 WeakPolarHBondContact O-CG 3.45Å; I155-E159 PolarHBondContact O-N 3.31Å
156	L	85.4	Confident	86.2	Confident	42 Å²	42	54.2 Å²	54.2	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-54.7	-50	175.7	172	66.1	0	0	0	111.6	E152 E153 L158 E159 I160 R378 A381	E152-L156 WeakPolarHBondContact O-CB 3.47Å; E152-L156 PolarHBondContact O-N 2.9Å; E153-L156 WeakPolarHBondContact O-CB 3.47Å; E153-L156 PolarHBondContact O-N 3.07Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.9Å; L156-E159 PolarHBondContact O-N 2.94Å; L156-I160 HydrophobicContact CD1-CD1 4.2Å; L156-I160 HydrophobicContact CG-CD1 4.16Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.1Å; L156-R378 HydrophobicContact CD1-CB 4.35Å; L156-R378 HydrophobicContact CD1-CG 3.31Å; L156-A381 HydrophobicContact CD2-CB 4.41Å
157	H	88.1	Confident	85.9	Confident	40 Å²	40	51.2 Å²	51.2	19%	0.185	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-33.3	178.9	-78.4	-65.8	0	0	0	113	Y106 E153 I154 I155 I160 I161 T385	Y106-H157 HydrophobicContact CD2-CB 4.22Å; Y106-H157 HydrophobicContact CE2-CB 3.63Å; E153-H157 PolarHBondContact O-CD2 2.85Å; E153-H157 VanDerWaalsContact O-CD2 3.31Å; E153-H157 PolarHBondContact O-N 3.41Å; I154-H157 PolarHBondContact O-N 3.33Å; I155-H157 VanDerWaalsContact C-N 3.35Å; I155-H157 PolarHBondContact O-N 2.93Å; H157-I160 PolarHBondContact O-N 3.46Å; H157-I161 WeakPolarHBondContact O-CG1 3.39Å; H157-I161 PolarHBondContact O-N 2.6Å; H157-I161 VanDerWaalsContact O-N 3.08Å; H157-T385 PolarHBondContact ND1-OG1 2.58Å
158	L	89.7	Confident	85.7	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-47	173.6	176.7	60.2	0	0	0	111.5	F10 V12 A103 Y106 V107 I154 I155 L156 I160 I161 L162	F10-L158 HydrophobicContact CD1-CD1 4.29Å; F10-L158 HydrophobicContact CD1-CD2 3.81Å; F10-L158 HydrophobicContact CD1-CG 4.49Å; F10-L158 HydrophobicContact CE1-CD1 3.59Å; F10-L158 HydrophobicContact CE1-CD2 3.89Å; F10-L158 HydrophobicContact CE1-CG 4.26Å; F10-L158 HydrophobicContact CZ-CD1 4.26Å; V12-L158 HydrophobicContact CB-CD2 4.46Å; V12-L158 HydrophobicContact CG2-CD2 3.88Å; A103-L158 HydrophobicContact CB-CD1 3.68Å; Y106-L158 HydrophobicContact CD2-CB 4.41Å; V107-L158 HydrophobicContact CG2-CD2 4.19Å; I154-L158 WeakPolarHBondContact O-CB 3.49Å; I154-L158 PolarHBondContact O-N 3.18Å; I155-L158 WeakPolarHBondContact O-CB 3.46Å; I155-L158 PolarHBondContact O-N 3.32Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.9Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 3.33Å; L158-I161 PolarHBondContact O-N 2.83Å; L158-L162 HydrophobicContact CD1-CD1 4.08Å; L158-L162 HydrophobicContact CD1-CG 4.1Å; L158-L162 HydrophobicContact CG-CD1 4.02Å; L158-L162 HydrophobicContact CG-CG 4.46Å; L158-L162 WeakPolarHBondContact O-CG 3.31Å; L158-L162 PolarHBondContact O-N 3.01Å
159	E	85.9	Confident	85.7	Confident	67 Å²	67	51 Å²	51	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-56.8	-46.3	174.8	-74.4	179	179.6	0	0	111.2	I155 L156 I161 L162 N163 R378	I155-E159 HydrophobicContact CG2-CG 4.36Å; I155-E159 WeakPolarHBondContact O-CG 3.45Å; I155-E159 PolarHBondContact O-N 3.31Å; L156-E159 PolarHBondContact O-N 2.94Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 3.49Å; E159-L162 PolarHBondContact O-N 3.36Å; E159-N163 WeakPolarHBondContact O-CB 3.39Å; E159-N163 VanDerWaalsContact O-CG 3.28Å; E159-N163 PolarHBondContact O-N 2.93Å; E159-N163 PolarHBondContact O-ND2 3.36Å; E159-R378 IonicContact OE1-NH2 3.2Å; E159-R378 IonicContact OE2-CZ 3.9Å; E159-R378 IonicContact OE2-NE 3.79Å; E159-R378 IonicContact OE2-NH1 2.79Å; E159-R378 PolarHBondContact OE2-NH1 3.4Å; E159-R378 IonicContact OE2-NH2 3.9Å; E159-R378 PolarHBondContact OE2-NH2 2.97Å
160	I	86.2	Confident	85.5	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-44.5	177	-71.6	165.1	0	0	0	111.3	L156 H157 L158 K164 A381 T385 M386	L156-I160 HydrophobicContact CD1-CD1 4.2Å; L156-I160 HydrophobicContact CG-CD1 4.16Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.1Å; H157-I160 PolarHBondContact O-N 3.46Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 3.33Å; I160-K164 WeakPolarHBondContact O-CB 3.36Å; I160-K164 PolarHBondContact O-N 3.19Å; I160-A381 HydrophobicContact CD1-CB 3.75Å; I160-T385 HydrophobicContact CG2-CG2 4.31Å; I160-M386 HydrophobicContact CG2-CE 3.84Å
161	I	88.1	Confident	85.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-44.4	180	-72.4	-172.1	0	0	0	111.6	L99 R102 A103 Y106 H157 L158 E159 K164 L165	L99-I161 HydrophobicContact CB-CG2 3.91Å; L99-I161 HydrophobicContact CD2-CD1 4.46Å; L99-I161 HydrophobicContact CD2-CG1 4.33Å; L99-I161 HydrophobicContact CD2-CG2 4.32Å; L99-I161 WeakPolarHBondContact O-CG2 3.05Å; R102-I161 HydrophobicContact CB-CD1 3.79Å; R102-I161 VanDerWaalsContact CD-CD1 3.46Å; R102-I161 HydrophobicContact CG-CD1 3.42Å; R102-I161 VanDerWaalsContact CG-CD1 3.42Å; A103-I161 HydrophobicContact CB-CG2 3.84Å; Y106-I161 HydrophobicContact CD2-CD1 3.78Å; Y106-I161 HydrophobicContact CE2-CD1 3.27Å; Y106-I161 HydrophobicContact CE2-CG1 4.17Å; H157-I161 WeakPolarHBondContact O-CG1 3.39Å; H157-I161 PolarHBondContact O-N 2.6Å; H157-I161 VanDerWaalsContact O-N 3.08Å; L158-I161 PolarHBondContact O-N 2.83Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 3.49Å; I161-K164 PolarHBondContact O-N 3.08Å; I161-K164 VanDerWaalsContact O-N 3.15Å; I161-L165 HydrophobicContact CG2-CD1 4.22Å; I161-L165 WeakPolarHBondContact O-CG 3.1Å; I161-L165 PolarHBondContact O-N 3.15Å
162	L	88.1	Confident	85.3	Confident	56 Å²	56	49.6 Å²	49.6	29%	0.293	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-44.2	178.6	-69.4	174.2	0	0	0	111.2	F10 A103 L158 E159 K164 L165 D166	F10-L162 HydrophobicContact CE2-CD2 3.94Å; F10-L162 HydrophobicContact CG-CD1 4.49Å; F10-L162 HydrophobicContact CZ-CD2 3.99Å; A103-L162 HydrophobicContact CB-CD2 4.39Å; L158-L162 HydrophobicContact CD1-CD1 4.08Å; L158-L162 HydrophobicContact CD1-CG 4.1Å; L158-L162 HydrophobicContact CG-CD1 4.02Å; L158-L162 HydrophobicContact CG-CG 4.46Å; L158-L162 WeakPolarHBondContact O-CG 3.31Å; L158-L162 PolarHBondContact O-N 3.01Å; E159-L162 PolarHBondContact O-N 3.36Å; L162-K164 VanDerWaalsContact C-N 3.27Å; L162-K164 PolarHBondContact O-N 3.08Å; L162-L165 HydrophobicContact CD2-CD1 4.28Å; L162-L165 WeakPolarHBondContact O-CB 3.36Å; L162-L165 PolarHBondContact O-N 2.9Å; L162-D166 PolarHBondContact O-N 3.3Å
163	N	84.1	Confident	85.5	Confident	95 Å²	95	50.3 Å²	50.3	51%	0.508	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-35.7	174.1	-72.4	-20.4	0	0	0	112	E159 D166	E159-N163 WeakPolarHBondContact O-CB 3.39Å; E159-N163 VanDerWaalsContact O-CG 3.28Å; E159-N163 PolarHBondContact O-N 2.93Å; E159-N163 PolarHBondContact O-ND2 3.36Å; N163-D166 PolarHBondContact O-N 2.87Å
164	K	85.2	Confident	85.5	Confident	61 Å²	61	48.9 Å²	48.9	27%	0.265	25%	0.251	S	S	.	.	H	α-helix	trans	-74.6	-34.8	177.9	-166.7	71.9	-166.7	167.9	0	112.8	L99 I160 I161 L162 D166 Q167 L168 M386	L99-K164 HydrophobicContact CD1-CB 3.77Å; L99-K164 HydrophobicContact CD1-CG 3.63Å; I160-K164 WeakPolarHBondContact O-CB 3.36Å; I160-K164 PolarHBondContact O-N 3.19Å; I161-K164 PolarHBondContact O-N 3.08Å; I161-K164 VanDerWaalsContact O-N 3.15Å; L162-K164 VanDerWaalsContact C-N 3.27Å; L162-K164 PolarHBondContact O-N 3.08Å; K164-D166 PolarHBondContact O-N 3.38Å; K164-Q167 HydrophobicContact CD-CB 4.48Å; K164-Q167 WeakPolarHBondContact O-CA 3.44Å; K164-Q167 WeakPolarHBondContact O-CB 3.09Å; K164-Q167 PolarHBondContact O-N 3.44Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 3.23Å; K164-M386 HydrophobicContact CB-CE 3.56Å; K164-M386 HydrophobicContact CB-SD 4.44Å; K164-M386 HydrophobicContact CD-CE 4.22Å; K164-M386 HydrophobicContact CD-SD 4.18Å; K164-M386 HydrophobicContact CG-CE 3.61Å; K164-M386 HydrophobicContact CG-SD 3.81Å
165	L	85.5	Confident	85.6	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-55.8	-37.9	173.1	-79.4	167.6	0	0	0	111.6	H96 L99 R100 I161 L162 Q167 L168	H96-L165 HydrophobicContact CB-CD2 4.4Å; H96-L165 VanDerWaalsContact O-CD2 3.31Å; H96-L165 WeakPolarHBondContact O-CD2 3.34Å; L99-L165 HydrophobicContact CB-CD1 4.46Å; L99-L165 HydrophobicContact CB-CD2 3.58Å; L99-L165 HydrophobicContact CB-CG 3.84Å; L99-L165 HydrophobicContact CD1-CG 4.5Å; R100-L165 HydrophobicContact CB-CD2 4.37Å; I161-L165 HydrophobicContact CG2-CD1 4.22Å; I161-L165 WeakPolarHBondContact O-CG 3.1Å; I161-L165 PolarHBondContact O-N 3.15Å; L162-L165 HydrophobicContact CD2-CD1 4.28Å; L162-L165 WeakPolarHBondContact O-CB 3.36Å; L162-L165 PolarHBondContact O-N 2.9Å; L165-Q167 PolarHBondContact O-N 3.44Å; L165-L168 PolarHBondContact O-N 3.49Å
166	D	81.3	Confident	85.8	Confident	61 Å²	61	50.1 Å²	50.1	33%	0.326	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18	175.5	-168.4	47.1	0	0	0	114.1	L162 N163 K164 F171 S172 R175	L162-D166 PolarHBondContact O-N 3.3Å; N163-D166 PolarHBondContact O-N 2.87Å; K164-D166 PolarHBondContact O-N 3.38Å; D166-F171 WeakPolarHBondContact O-CB 3.34Å; D166-S172 PolarHBondContact O-N 3.32Å; D166-R175 IonicContact OD1-CZ 2.58Å; D166-R175 IonicContact OD1-NE 3.53Å; D166-R175 IonicContact OD1-NH2 3.99Å; D166-R175 PolarHBondContact OD1-NH2 3.19Å; D166-R175 IonicContact OD2-CZ 2.78Å; D166-R175 IonicContact OD2-NE 3.18Å; D166-R175 PolarHBondContact OD2-NE 3.21Å; D166-R175 IonicContact OD2-NH2 2.74Å; D166-R175 PolarHBondContact OD2-NH2 2.95Å
167	Q	81.9	Confident	86.2	Confident	98 Å²	98	52.4 Å²	52.4	46%	0.458	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-6.1	-179.7	-62.5	176.4	6.8	0	0	114.1	K164 L165	K164-Q167 HydrophobicContact CD-CB 4.48Å; K164-Q167 WeakPolarHBondContact O-CA 3.44Å; K164-Q167 WeakPolarHBondContact O-CB 3.09Å; K164-Q167 PolarHBondContact O-N 3.44Å; L165-Q167 PolarHBondContact O-N 3.44Å
168	L	81	Confident	86.4	Confident	29 Å²	29	50.9 Å²	50.9	15%	0.152	26%	0.261	C	S	.	.	S	Bend	trans	-90.2	167.9	-177.2	-67.2	179.4	0	0	0	112.1	H96 L99 K164 L165 G170 F171	H96-L168 HydrophobicContact CB-CB 4.49Å; H96-L168 HydrophobicContact CB-CD1 4.18Å; L99-L168 HydrophobicContact CD1-CD1 3.68Å; L99-L168 HydrophobicContact CG-CD1 4.37Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 3.23Å; L165-L168 PolarHBondContact O-N 3.49Å; L168-G170 PolarHBondContact O-N 3.45Å; L168-F171 WeakPolarHBondContact O-CB 3.42Å; L168-F171 WeakPolarHBondContact O-CD2 3.45Å; L168-F171 PolarHBondContact O-N 2.84Å
169	D	82.9	Confident	86.7	Confident	55 Å²	55	50.5 Å²	50.5	29%	0.294	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	29.2	170.2	-52.9	-21.9	0	0	0	115.3	G93 H96 F171	G93-D169 WeakPolarHBondContact CA-OD1 3.44Å; G93-D169 VanDerWaalsContact N-CG 3.28Å; G93-D169 PolarHBondContact N-OD1 3.1Å; G93-D169 VanDerWaalsContact N-OD1 3.15Å; G93-D169 PolarHBondContact N-OD2 3.03Å; H96-D169 WeakPolarHBondContact CB-OD2 3.31Å; H96-D169 IonicContact CG-OD2 2.67Å; H96-D169 IonicContact ND1-OD2 3.94Å; H96-D169 PolarHBondContact ND1-OD2 2.82Å; D169-F171 VanDerWaalsContact C-N 3.28Å; D169-F171 HydrophobicContact CB-CD2 4.23Å; D169-F171 HydrophobicContact CB-CE2 4.01Å; D169-F171 PolarHBondContact O-N 3.4Å
170	G	82.9	Confident	87	Confident	28 Å²	28	49.3 Å²	49.3	29%	0.289	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-0.7	-179.7	0	0	0	0	0	114.9	L168 S172 Q173 I174	L168-G170 PolarHBondContact O-N 3.45Å; G170-S172 PolarHBondContact O-N 2.93Å; G170-Q173 VanDerWaalsContact CA-OE1 3.28Å; G170-Q173 PolarHBondContact O-N 3.3Å; G170-Q173 PolarHBondContact O-OE1 3.46Å; G170-I174 WeakPolarHBondContact O-CG1 3.17Å; G170-I174 PolarHBondContact O-N 2.84Å
171	F	84.8	Confident	87.4	Confident	89 Å²	89	54.5 Å²	54.5	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-43.6	-176.5	-69.8	-52.8	0	0	0	112.4	H96 D166 L168 D169 Q173 I174 R175	H96-F171 AromaticContact CE1-CE2 3.68Å; H96-F171 AromaticContact ND1-CE2 3.75Å; D166-F171 WeakPolarHBondContact O-CB 3.34Å; L168-F171 WeakPolarHBondContact O-CB 3.42Å; L168-F171 WeakPolarHBondContact O-CD2 3.45Å; L168-F171 PolarHBondContact O-N 2.84Å; D169-F171 VanDerWaalsContact C-N 3.28Å; D169-F171 HydrophobicContact CB-CD2 4.23Å; D169-F171 HydrophobicContact CB-CE2 4.01Å; D169-F171 PolarHBondContact O-N 3.4Å; F171-Q173 PolarHBondContact O-N 2.84Å; F171-I174 PolarHBondContact O-N 3.18Å; F171-R175 WeakPolarHBondContact O-CB 3.24Å; F171-R175 PolarHBondContact O-N 2.96Å
172	S	84.7	Confident	87.7	Confident	29 Å²	29	54.5 Å²	54.5	20%	0.203	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-43.5	175.6	169.4	0	0	0	0	112.2	D166 G170 R175 I176	D166-S172 PolarHBondContact O-N 3.32Å; G170-S172 PolarHBondContact O-N 2.93Å; S172-R175 WeakPolarHBondContact O-CB 3.32Å; S172-R175 PolarHBondContact O-N 3.25Å; S172-I176 VanDerWaalsContact O-CG1 3.27Å; S172-I176 WeakPolarHBondContact O-CG1 3.4Å; S172-I176 PolarHBondContact O-N 3.46Å
173	Q	87	Confident	88.1	Confident	107 Å²	107	52.6 Å²	52.6	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-42.1	177.1	-68.9	80.1	1.9	0	0	111.7	G170 F171 R175 I176 I177	G170-Q173 VanDerWaalsContact CA-OE1 3.28Å; G170-Q173 PolarHBondContact O-N 3.3Å; G170-Q173 PolarHBondContact O-OE1 3.46Å; F171-Q173 PolarHBondContact O-N 2.84Å; Q173-R175 VanDerWaalsContact C-N 3.27Å; Q173-R175 PolarHBondContact O-N 3.39Å; Q173-I176 PolarHBondContact O-N 3.49Å; Q173-I177 WeakPolarHBondContact O-CB 3.37Å; Q173-I177 VanDerWaalsContact O-CG1 3.25Å; Q173-I177 WeakPolarHBondContact O-CG1 3.3Å; Q173-I177 PolarHBondContact O-N 2.94Å
174	I	88.7	Confident	88.6	Confident	80 Å²	80	53.3 Å²	53.3	41%	0.41	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-42.1	175	-69.5	165.8	0	0	0	110.4	G170 F171 G178 L304	G170-I174 WeakPolarHBondContact O-CG1 3.17Å; G170-I174 PolarHBondContact O-N 2.84Å; F171-I174 PolarHBondContact O-N 3.18Å; I174-G178 WeakPolarHBondContact O-CA 3.48Å; I174-G178 PolarHBondContact O-N 2.96Å; I174-L304 HydrophobicContact CG2-CD2 4.45Å
175	R	90	Very high	89.1	Confident	43 Å²	43	55.4 Å²	55.4	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-52.8	178.4	-169.5	-175.2	-70.3	-98.6	8.1	112.1	D166 F171 S172 Q173 I177 G178 L179 L304 D499	D166-R175 IonicContact OD1-CZ 2.58Å; D166-R175 IonicContact OD1-NE 3.53Å; D166-R175 IonicContact OD1-NH2 3.99Å; D166-R175 PolarHBondContact OD1-NH2 3.19Å; D166-R175 IonicContact OD2-CZ 2.78Å; D166-R175 IonicContact OD2-NE 3.18Å; D166-R175 PolarHBondContact OD2-NE 3.21Å; D166-R175 IonicContact OD2-NH2 2.74Å; D166-R175 PolarHBondContact OD2-NH2 2.95Å; F171-R175 WeakPolarHBondContact O-CB 3.24Å; F171-R175 PolarHBondContact O-N 2.96Å; S172-R175 WeakPolarHBondContact O-CB 3.32Å; S172-R175 PolarHBondContact O-N 3.25Å; Q173-R175 VanDerWaalsContact C-N 3.27Å; Q173-R175 PolarHBondContact O-N 3.39Å; R175-I177 PolarHBondContact O-N 3.21Å; R175-G178 PolarHBondContact O-N 3.13Å; R175-L179 HydrophobicContact CG-CD1 3.95Å; R175-L179 WeakPolarHBondContact O-CB 3.22Å; R175-L179 WeakPolarHBondContact O-CG 3.44Å; R175-L179 PolarHBondContact O-N 3.22Å; R175-L304 WeakPolarHBondContact CG-O 3.5Å; R175-L304 PolarHBondContact NH1-O 3.34Å; R175-D499 IonicContact NH1-OD2 3.64Å; R175-D499 PolarHBondContact NH1-OD2 2.84Å; R175-D499 VanDerWaalsContact NH1-OD2 3.11Å
176	I	91.1	Very high	89.5	Confident	33 Å²	33	54.4 Å²	54.4	17%	0.169	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-53.6	178.7	-69.3	166.9	0	0	0	110.6	S172 Q173 G178 D180 H494 M495	S172-I176 VanDerWaalsContact O-CG1 3.27Å; S172-I176 WeakPolarHBondContact O-CG1 3.4Å; S172-I176 PolarHBondContact O-N 3.46Å; Q173-I176 PolarHBondContact O-N 3.49Å; I176-G178 PolarHBondContact O-N 2.98Å; I176-D180 WeakPolarHBondContact O-CB 3.29Å; I176-D180 PolarHBondContact O-N 3.13Å; I176-H494 WeakPolarHBondContact CG1-O 3.34Å; I176-M495 HydrophobicContact CG2-CE 4.46Å; I176-M495 HydrophobicContact CG2-SD 3.82Å
177	I	92.3	Very high	90.2	Very high	89 Å²	89	53.4 Å²	53.4	46%	0.456	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-39.9	-177.6	-65.3	167.8	0	0	0	111.1	Q173 R175 K181	Q173-I177 WeakPolarHBondContact O-CB 3.37Å; Q173-I177 VanDerWaalsContact O-CG1 3.25Å; Q173-I177 WeakPolarHBondContact O-CG1 3.3Å; Q173-I177 PolarHBondContact O-N 2.94Å; R175-I177 PolarHBondContact O-N 3.21Å; I177-K181 HydrophobicContact CG2-CD 4.05Å; I177-K181 HydrophobicContact CG2-CG 4.49Å; I177-K181 WeakPolarHBondContact O-CB 3.37Å; I177-K181 VanDerWaalsContact O-CG 3.3Å; I177-K181 WeakPolarHBondContact O-CG 3.27Å; I177-K181 PolarHBondContact O-N 3.15Å
178	G	93.7	Very high	90.9	Very high	8 Å²	8	55 Å²	55	8%	0.082	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-46.3	179.8	0	0	0	0	0	112.4	I174 R175 I176 K181 L182	I174-G178 WeakPolarHBondContact O-CA 3.48Å; I174-G178 PolarHBondContact O-N 2.96Å; R175-G178 PolarHBondContact O-N 3.13Å; I176-G178 PolarHBondContact O-N 2.98Å; G178-K181 PolarHBondContact O-N 2.95Å; G178-L182 WeakPolarHBondContact O-CB 3.36Å; G178-L182 WeakPolarHBondContact O-CG 3.36Å; G178-L182 PolarHBondContact O-N 3.43Å
179	L	94.6	Very high	91.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-39	178.1	-70.7	172.9	0	0	0	112.3	R175 L182 S183 L301 L304 H305 H494 G498	R175-L179 HydrophobicContact CG-CD1 3.95Å; R175-L179 WeakPolarHBondContact O-CB 3.22Å; R175-L179 WeakPolarHBondContact O-CG 3.44Å; R175-L179 PolarHBondContact O-N 3.22Å; L179-L182 PolarHBondContact O-N 2.77Å; L179-S183 WeakPolarHBondContact O-CB 3.42Å; L179-S183 PolarHBondContact O-N 2.73Å; L179-L301 HydrophobicContact CD2-CD1 3.85Å; L179-L304 HydrophobicContact CD2-CB 3.69Å; L179-L304 HydrophobicContact CD2-CD1 4.45Å; L179-L304 HydrophobicContact CG-CB 3.93Å; L179-H305 HydrophobicContact CD2-CB 4.17Å; L179-H494 HydrophobicContact CB-CB 3.73Å; L179-G498 VanDerWaalsContact CD1-C 3.48Å; L179-G498 WeakPolarHBondContact CD1-O 3.23Å
180	D	94.3	Very high	92.1	Very high	42 Å²	42	54.6 Å²	54.6	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-46.4	174.6	-180	58.9	0	0	0	111.7	I176 L182 S183 Q184 M495	I176-D180 WeakPolarHBondContact O-CB 3.29Å; I176-D180 PolarHBondContact O-N 3.13Å; D180-L182 PolarHBondContact O-N 3.07Å; D180-S183 WeakPolarHBondContact O-CB 3.15Å; D180-S183 PolarHBondContact O-N 2.9Å; D180-Q184 VanDerWaalsContact CG-NE2 3.3Å; D180-Q184 WeakPolarHBondContact O-CG 3.18Å; D180-Q184 PolarHBondContact O-N 3.27Å; D180-Q184 PolarHBondContact OD1-NE2 3.44Å; D180-Q184 PolarHBondContact OD2-NE2 3.27Å; D180-M495 HydrophobicContact CB-SD 3.86Å
181	K	94.5	Very high	92.8	Very high	120 Å²	120	55.8 Å²	55.8	52%	0.522	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-41.2	174.9	-75.2	177.8	179	-179.7	0	112.8	I177 G178 R185	I177-K181 HydrophobicContact CG2-CD 4.05Å; I177-K181 HydrophobicContact CG2-CG 4.49Å; I177-K181 WeakPolarHBondContact O-CB 3.37Å; I177-K181 VanDerWaalsContact O-CG 3.3Å; I177-K181 WeakPolarHBondContact O-CG 3.27Å; I177-K181 PolarHBondContact O-N 3.15Å; G178-K181 PolarHBondContact O-N 2.95Å; K181-R185 WeakPolarHBondContact O-CB 3.28Å; K181-R185 WeakPolarHBondContact O-CG 3.32Å; K181-R185 PolarHBondContact O-N 3.28Å
182	L	94.3	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-45.9	174.4	-84.6	176.8	0	0	0	111.5	G178 L179 D180 R185 L186 M297 E300 L301 L304 W311	G178-L182 WeakPolarHBondContact O-CB 3.36Å; G178-L182 WeakPolarHBondContact O-CG 3.36Å; G178-L182 PolarHBondContact O-N 3.43Å; L179-L182 PolarHBondContact O-N 2.77Å; D180-L182 PolarHBondContact O-N 3.07Å; L182-R185 PolarHBondContact O-N 3.42Å; L182-L186 WeakPolarHBondContact O-CB 3.19Å; L182-L186 PolarHBondContact O-N 3.06Å; L182-M297 HydrophobicContact CD2-CB 4.2Å; L182-M297 HydrophobicContact CD2-CG 4.2Å; L182-E300 HydrophobicContact CD1-CB 4.15Å; L182-E300 HydrophobicContact CD1-CG 3.85Å; L182-E300 HydrophobicContact CD2-CB 4.19Å; L182-E300 HydrophobicContact CD2-CG 4.17Å; L182-E300 VanDerWaalsContact CD2-OE2 3.26Å; L182-E300 WeakPolarHBondContact CD2-OE2 3.37Å; L182-E300 HydrophobicContact CG-CG 4.12Å; L182-L301 HydrophobicContact CD1-CB 4.22Å; L182-L301 HydrophobicContact CD1-CD1 4.21Å; L182-L304 HydrophobicContact CD1-CD1 3.83Å; L182-W311 HydrophobicContact CB-CH2 3.98Å; L182-W311 HydrophobicContact CB-CZ2 4.1Å
183	S	95.4	Very high	93.9	Very high	16 Å²	16	57.3 Å²	57.3	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-50.2	176.7	177.2	0	0	0	0	110.9	L179 D180 R185 L186 Q187 Q315 H494	L179-S183 WeakPolarHBondContact O-CB 3.42Å; L179-S183 PolarHBondContact O-N 2.73Å; D180-S183 WeakPolarHBondContact O-CB 3.15Å; D180-S183 PolarHBondContact O-N 2.9Å; S183-R185 VanDerWaalsContact C-N 3.34Å; S183-R185 PolarHBondContact O-N 2.72Å; S183-L186 PolarHBondContact O-N 3.11Å; S183-L186 VanDerWaalsContact O-N 3.15Å; S183-Q187 WeakPolarHBondContact O-CB 3.31Å; S183-Q187 WeakPolarHBondContact O-CG 3.33Å; S183-Q187 PolarHBondContact O-N 3.46Å; S183-Q315 PolarHBondContact OG-OE1 3.28Å; S183-H494 VanDerWaalsContact CB-CE1 3.44Å; S183-H494 WeakPolarHBondContact CB-CE1 2.83Å
184	Q	95.5	Very high	94.4	Very high	111 Å²	111	52.2 Å²	52.2	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-43.4	178.3	-70.8	171.4	19.7	0	0	112.6	D180 K188	D180-Q184 VanDerWaalsContact CG-NE2 3.3Å; D180-Q184 WeakPolarHBondContact O-CG 3.18Å; D180-Q184 PolarHBondContact O-N 3.27Å; D180-Q184 PolarHBondContact OD1-NE2 3.44Å; D180-Q184 PolarHBondContact OD2-NE2 3.27Å; Q184-K188 VanDerWaalsContact O-CB 3.25Å; Q184-K188 WeakPolarHBondContact O-CB 3.32Å; Q184-K188 PolarHBondContact O-N 3.16Å
185	R	94.9	Very high	94.8	Very high	104 Å²	104	49.2 Å²	49.2	39%	0.392	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-47.2	174.6	-81.3	166.5	42	-166.2	-8.5	111.9	K181 L182 S183 K189 D296 E300	K181-R185 WeakPolarHBondContact O-CB 3.28Å; K181-R185 WeakPolarHBondContact O-CG 3.32Å; K181-R185 PolarHBondContact O-N 3.28Å; L182-R185 PolarHBondContact O-N 3.42Å; S183-R185 VanDerWaalsContact C-N 3.34Å; S183-R185 PolarHBondContact O-N 2.72Å; R185-K189 PolarHBondContact O-N 2.94Å; R185-D296 PolarHBondContact NH2-O 2.84Å; R185-E300 IonicContact CZ-OE2 3.19Å; R185-E300 IonicContact NH1-OE2 3.95Å; R185-E300 PolarHBondContact NH1-OE2 3.43Å; R185-E300 IonicContact NH2-OE2 4Å
186	L	94.2	Very high	95.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-49.2	-179.7	178.3	57.5	0	0	0	111.8	L182 S183 K188 K189 I190 F230 M297 W311 F312 Q315	L182-L186 WeakPolarHBondContact O-CB 3.19Å; L182-L186 PolarHBondContact O-N 3.06Å; S183-L186 PolarHBondContact O-N 3.11Å; S183-L186 VanDerWaalsContact O-N 3.15Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.27Å; L186-K189 PolarHBondContact O-N 3.41Å; L186-K189 VanDerWaalsContact O-N 3.13Å; L186-I190 HydrophobicContact CD1-CD1 3.92Å; L186-I190 HydrophobicContact CD1-CG1 4.06Å; L186-I190 HydrophobicContact CG-CD1 3.84Å; L186-I190 HydrophobicContact CG-CG1 4.41Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 3.01Å; L186-F230 HydrophobicContact CD1-CE1 3.9Å; L186-F230 HydrophobicContact CD1-CE2 4.06Å; L186-F230 HydrophobicContact CD1-CZ 3.43Å; L186-F230 VanDerWaalsContact CD1-CZ 3.43Å; L186-M297 HydrophobicContact CB-CE 3.86Å; L186-M297 HydrophobicContact CB-SD 3.89Å; L186-M297 HydrophobicContact CD1-CE 3.95Å; L186-M297 HydrophobicContact CD1-SD 4.06Å; L186-M297 HydrophobicContact CD2-SD 4.44Å; L186-M297 HydrophobicContact CG-CE 4.48Å; L186-M297 HydrophobicContact CG-SD 4.34Å; L186-W311 HydrophobicContact CD2-CH2 4.06Å; L186-W311 HydrophobicContact CD2-CZ3 3.76Å; L186-F312 HydrophobicContact CD1-CE2 3.95Å; L186-F312 HydrophobicContact CD2-CD2 3.64Å; L186-F312 HydrophobicContact CD2-CE2 3.7Å; L186-F312 HydrophobicContact CG-CE2 4.48Å; L186-Q315 HydrophobicContact CD2-CB 3.67Å; L186-Q315 HydrophobicContact CD2-CG 3.86Å
187	Q	96	Very high	95.3	Very high	40 Å²	40	53 Å²	53	19%	0.187	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-39.7	178.2	-66.7	-66.1	-35.5	0	0	111.4	S183 Q191 Q315 S318	S183-Q187 WeakPolarHBondContact O-CB 3.31Å; S183-Q187 WeakPolarHBondContact O-CG 3.33Å; S183-Q187 PolarHBondContact O-N 3.46Å; Q187-Q191 WeakPolarHBondContact O-CB 3.46Å; Q187-Q191 PolarHBondContact O-N 3.44Å; Q187-Q315 PolarHBondContact NE2-O 3.25Å; Q187-S318 PolarHBondContact NE2-OG 3.33Å
188	K	96.1	Very high	95.5	Very high	132 Å²	132	51.9 Å²	51.9	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-62	-49.4	173.3	-179.5	178.2	171.9	-179.5	0	111.9	Q184 L186 I190 Q191 E192	Q184-K188 VanDerWaalsContact O-CB 3.25Å; Q184-K188 WeakPolarHBondContact O-CB 3.32Å; Q184-K188 PolarHBondContact O-N 3.16Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.27Å; K188-I190 VanDerWaalsContact C-N 3.33Å; K188-I190 PolarHBondContact O-N 3.17Å; K188-Q191 PolarHBondContact O-N 3.15Å; K188-E192 WeakPolarHBondContact CE-OE1 3.41Å; K188-E192 IonicContact NZ-OE1 2.66Å; K188-E192 WeakPolarHBondContact O-CG 3.21Å; K188-E192 PolarHBondContact O-N 2.79Å
189	K	94.7	Very high	95.5	Very high	75 Å²	75	52.2 Å²	52.2	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-42.6	178.6	-172.4	172.4	175.4	-174.2	0	111.6	R185 L186 E192 Q193 F230 D296	R185-K189 PolarHBondContact O-N 2.94Å; L186-K189 PolarHBondContact O-N 3.41Å; L186-K189 VanDerWaalsContact O-N 3.13Å; K189-E192 PolarHBondContact O-N 3.23Å; K189-Q193 WeakPolarHBondContact O-CB 3.44Å; K189-Q193 PolarHBondContact O-N 3.2Å; K189-F230 HydrophobicContact CB-CE2 4.36Å; K189-F230 HydrophobicContact CD-CE2 4.17Å; K189-F230 HydrophobicContact CD-CZ 3.78Å; K189-F230 HydrophobicContact CG-CE2 3.91Å; K189-F230 HydrophobicContact CG-CZ 4.04Å; K189-D296 IonicContact NZ-OD1 2.99Å; K189-D296 IonicContact NZ-OD2 3.81Å; K189-D296 PolarHBondContact NZ-OD2 3.07Å
190	I	95.5	Very high	95.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-47.9	174.2	-68.2	169.6	0	0	0	110.5	L186 K188 E192 Q193 Q194 F226 F230 L316 Y319	L186-I190 HydrophobicContact CD1-CD1 3.92Å; L186-I190 HydrophobicContact CD1-CG1 4.06Å; L186-I190 HydrophobicContact CG-CD1 3.84Å; L186-I190 HydrophobicContact CG-CG1 4.41Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 3.01Å; K188-I190 VanDerWaalsContact C-N 3.33Å; K188-I190 PolarHBondContact O-N 3.17Å; I190-E192 PolarHBondContact O-N 2.87Å; I190-Q193 PolarHBondContact O-N 3.42Å; I190-Q194 HydrophobicContact CG2-CG 4.32Å; I190-Q194 WeakPolarHBondContact O-CB 3.44Å; I190-Q194 WeakPolarHBondContact O-CG 3.43Å; I190-Q194 PolarHBondContact O-N 2.71Å; I190-F226 HydrophobicContact CG2-CE1 4.25Å; I190-F226 HydrophobicContact CG2-CE2 3.77Å; I190-F226 HydrophobicContact CG2-CZ 3.31Å; I190-F230 HydrophobicContact CG1-CD2 3.79Å; I190-F230 HydrophobicContact CG1-CE2 3.61Å; I190-F230 HydrophobicContact CG1-CZ 4.43Å; I190-L316 HydrophobicContact CD1-CD2 4Å; I190-Y319 HydrophobicContact CB-CD2 4.29Å; I190-Y319 HydrophobicContact CB-CE2 4.3Å; I190-Y319 HydrophobicContact CG2-CD1 3.99Å; I190-Y319 HydrophobicContact CG2-CD2 3.58Å; I190-Y319 HydrophobicContact CG2-CE1 3.93Å; I190-Y319 HydrophobicContact CG2-CE2 3.57Å; I190-Y319 HydrophobicContact CG2-CG 3.8Å
191	Q	96.8	Very high	95.3	Very high	54 Å²	54	65.2 Å²	65.2	25%	0.252	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-45.3	179.1	-177.9	71.6	20.9	0	0	111.8	Q187 K188 N195 E260 Y319	Q187-Q191 WeakPolarHBondContact O-CB 3.46Å; Q187-Q191 PolarHBondContact O-N 3.44Å; K188-Q191 PolarHBondContact O-N 3.15Å; Q191-N195 PolarHBondContact NE2-ND2 2.99Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.19Å; Q191-N195 WeakPolarHBondContact O-CB 3.48Å; Q191-N195 PolarHBondContact O-N 2.76Å; Q191-N195 VanDerWaalsContact O-N 3.16Å; Q191-N195 PolarHBondContact O-ND2 2.92Å; Q191-E260 PolarHBondContact NE2-OE1 3.23Å; Q191-Y319 HydrophobicContact CB-CE2 4.27Å; Q191-Y319 PolarHBondContact OE1-OH 3.04Å
192	E	96.1	Very high	95.3	Very high	115 Å²	115	60.1 Å²	60.1	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-46	178	-72.7	171	170.2	0	0	111.1	K188 K189 I190 N195	K188-E192 WeakPolarHBondContact CE-OE1 3.41Å; K188-E192 IonicContact NZ-OE1 2.66Å; K188-E192 WeakPolarHBondContact O-CG 3.21Å; K188-E192 PolarHBondContact O-N 2.79Å; K189-E192 PolarHBondContact O-N 3.23Å; I190-E192 PolarHBondContact O-N 2.87Å; E192-N195 CarbonylContact O-C 3.55Å; E192-N195 PolarHBondContact O-N 2.95Å
193	Q	95.4	Very high	95.4	Very high	34 Å²	34	65.6 Å²	65.6	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-41.1	179.2	-177.8	173.5	-34	0	0	112.7	K189 I190 N195 A229 F230 R234 V235	K189-Q193 WeakPolarHBondContact O-CB 3.44Å; K189-Q193 PolarHBondContact O-N 3.2Å; I190-Q193 PolarHBondContact O-N 3.42Å; Q193-N195 PolarHBondContact O-N 3.44Å; Q193-A229 PolarHBondContact NE2-O 3.46Å; Q193-F230 VanDerWaalsContact NE2-CA 3.25Å; Q193-F230 PolarHBondContact NE2-O 2.81Å; Q193-F230 PolarHBondContact OE1-O 3.45Å; Q193-R234 VanDerWaalsContact NE2-N 3.17Å; Q193-R234 PolarHBondContact NE2-O 3.18Å; Q193-V235 WeakPolarHBondContact O-CG2 3.27Å
194	Q	97.6	Very high	95.5	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-71.1	-16.5	177.3	-70.6	-57.9	-48	0	0	112.9	I190 P196 F226 L236 L258 S259 Y319	I190-Q194 HydrophobicContact CG2-CG 4.32Å; I190-Q194 WeakPolarHBondContact O-CB 3.44Å; I190-Q194 WeakPolarHBondContact O-CG 3.43Å; I190-Q194 PolarHBondContact O-N 2.71Å; Q194-P196 VanDerWaalsContact C-CD 3.41Å; Q194-P196 WeakPolarHBondContact O-CD 3.43Å; Q194-F226 HydrophobicContact CG-CE2 3.9Å; Q194-F226 HydrophobicContact CG-CZ 4.06Å; Q194-L236 VanDerWaalsContact NE2-N 3.1Å; Q194-L236 PolarHBondContact OE1-O 3.42Å; Q194-L258 VanDerWaalsContact CB-O 3.31Å; Q194-L258 WeakPolarHBondContact CB-O 3.4Å; Q194-S259 WeakPolarHBondContact O-CB 3.04Å; Q194-S259 PolarHBondContact O-OG 3.22Å; Q194-Y319 HydrophobicContact CG-CE1 4.33Å
195	N	97.7	Very high	95.4	Very high	16 Å²	16	59.5 Å²	59.5	9%	0.086	29%	0.291	C	S	.	.	S	Bend	trans	-126.3	61.2	-174.1	-62.8	-79.9	0	0	0	112.3	Q191 E192 Q193 E260 K261	Q191-N195 PolarHBondContact NE2-ND2 2.99Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.19Å; Q191-N195 WeakPolarHBondContact O-CB 3.48Å; Q191-N195 PolarHBondContact O-N 2.76Å; Q191-N195 VanDerWaalsContact O-N 3.16Å; Q191-N195 PolarHBondContact O-ND2 2.92Å; E192-N195 CarbonylContact O-C 3.55Å; E192-N195 PolarHBondContact O-N 2.95Å; Q193-N195 PolarHBondContact O-N 3.44Å; N195-E260 WeakPolarHBondContact OD1-CB 3.3Å; N195-E260 PolarHBondContact OD1-N 3.24Å; N195-K261 HydrophobicContact CB-CD 4.08Å; N195-K261 HydrophobicContact CB-CG 4.39Å; N195-K261 PolarHBondContact O-NZ 3.1Å; N195-K261 PolarHBondContact OD1-N 3.22Å
196	P	97	Very high	95.4	Very high	28 Å²	28	55.2 Å²	55.2	18%	0.182	28%	0.276	C	S	.	.			trans	-58	161.3	-179.3	28.3	-36.7	0	0	0	111.7	Q194 D198 A202 V235 K261 C262	Q194-P196 VanDerWaalsContact C-CD 3.41Å; Q194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-D198 VanDerWaalsContact C-N 3.32Å; P196-A202 HydrophobicContact CB-CB 4.25Å; P196-A202 HydrophobicContact CG-CB 3.75Å; P196-V235 HydrophobicContact CG-CG2 3.87Å; P196-K261 WeakPolarHBondContact O-CD 2.87Å; P196-K261 PolarHBondContact O-NZ 2.97Å; P196-C262 VanDerWaalsContact CG-SG 3.54Å
197	S	95.4	Very high	95.2	Very high	128 Å²	128	55.3 Å²	55.3	90%	0.895	28%	0.277	S	S	*	.	S	Bend	trans	-65	-36.3	175.4	48.2	0	0	0	0	112.4
198	D	95	Very high	94.7	Very high	65 Å²	65	55.1 Å²	55.1	35%	0.348	28%	0.277	S	S	.	.			trans	-135	112	178.4	-175.2	-0	0	0	0	111.1	P196 K200 M201 A202	P196-D198 VanDerWaalsContact C-N 3.32Å; D198-K200 PolarHBondContact O-N 2.8Å; D198-K200 VanDerWaalsContact OD1-CB 3.3Å; D198-K200 WeakPolarHBondContact OD1-CB 3.48Å; D198-K200 PolarHBondContact OD1-N 3.4Å; D198-M201 HydrophobicContact CB-CB 4.45Å; D198-M201 HydrophobicContact CB-CG 4.43Å; D198-M201 PolarHBondContact O-N 2.83Å; D198-A202 PolarHBondContact O-N 3.28Å
199	C	95.6	Very high	93.9	Very high	16 Å²	16	49.2 Å²	49.2	11%	0.108	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.6	176.1	-64.5	0	0	0	0	112.2	M201 A202 Y204 K261 C262 D266	C199-M201 VanDerWaalsContact C-N 3.27Å; C199-M201 PolarHBondContact O-N 3.44Å; C199-A202 PolarHBondContact O-N 2.89Å; C199-Y204 WeakPolarHBondContact CB-OH 3.1Å; C199-Y204 PolarHBondContact O-OH 3.38Å; C199-K261 VanDerWaalsContact SG-C 3.54Å; C199-K261 PolarHBondContact SG-O 3.49Å; C199-C262 HydrophobicContact CB-CB 4Å; C199-C262 WeakPolarHBondContact CB-SG 3.3Å; C199-C262 WeakPolarHBondContact SG-CA 3.48Å; C199-C262 WeakPolarHBondContact SG-CB 3.25Å; C199-C262 PolarHBondContact SG-N 2.98Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.07Å; C199-D266 HydrophobicContact CB-CB 4.32Å
200	K	91.7	Very high	92.7	Very high	163 Å²	163	47.4 Å²	47.4	71%	0.709	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.6	178.4	-62	179.4	179.6	177.3	0	112.5	D198 R270	D198-K200 PolarHBondContact O-N 2.8Å; D198-K200 VanDerWaalsContact OD1-CB 3.3Å; D198-K200 WeakPolarHBondContact OD1-CB 3.48Å; D198-K200 PolarHBondContact OD1-N 3.4Å; K200-R270 PolarHBondContact O-NH1 3.01Å
201	M	92.2	Very high	91.2	Very high	152 Å²	152	55.1 Å²	55.1	75%	0.749	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-13.8	178.2	-63.9	-61.9	177.1	0	0	113.2	D198 C199	D198-M201 HydrophobicContact CB-CB 4.45Å; D198-M201 HydrophobicContact CB-CG 4.43Å; D198-M201 PolarHBondContact O-N 2.83Å; C199-M201 VanDerWaalsContact C-N 3.27Å; C199-M201 PolarHBondContact O-N 3.44Å
202	A	95.3	Very high	90	Very high	13 Å²	13	54.6 Å²	54.6	11%	0.107	29%	0.286	C	S	.	.			trans	-67.7	153.5	179.3	0	0	0	0	0	111.9	P196 D198 C199 Y204 V235 R270	P196-A202 HydrophobicContact CB-CB 4.25Å; P196-A202 HydrophobicContact CG-CB 3.75Å; D198-A202 PolarHBondContact O-N 3.28Å; C199-A202 PolarHBondContact O-N 2.89Å; A202-Y204 HydrophobicContact CB-CE1 4.42Å; A202-Y204 HydrophobicContact CB-CE2 4.34Å; A202-Y204 WeakPolarHBondContact O-CE2 3.23Å; A202-V235 HydrophobicContact CB-CG2 4.04Å; A202-R270 PolarHBondContact O-NH1 3.38Å; A202-R270 PolarHBondContact O-NH2 3.06Å
203	K	96.1	Very high	89.2	Confident	114 Å²	114	51.3 Å²	51.3	50%	0.496	28%	0.276	S	S	.	.			trans	-104.5	151.1	170.6	-67.4	-180	-179.7	169.9	0	109.2	R234 V235	K203-R234 HydrophobicContact CB-CG 3.65Å; K203-R234 CarbonylContact O-C 3.49Å; K203-R234 VanDerWaalsContact O-CA 3.29Å; K203-R234 WeakPolarHBondContact O-CA 3.42Å; K203-R234 WeakPolarHBondContact O-CB 3.47Å; K203-V235 PolarHBondContact O-N 3.37Å
204	Y	96.4	Very high	88.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.5	-171	-61.1	-78.3	0	0	0	113.8	C199 A202 R234 V235 I237 C262 D266 T267 I274	C199-Y204 WeakPolarHBondContact CB-OH 3.1Å; C199-Y204 PolarHBondContact O-OH 3.38Å; A202-Y204 HydrophobicContact CB-CE1 4.42Å; A202-Y204 HydrophobicContact CB-CE2 4.34Å; A202-Y204 WeakPolarHBondContact O-CE2 3.23Å; Y204-R234 PolarHBondContact O-NH1 2.84Å; Y204-V235 WeakPolarHBondContact CA-O 3.43Å; Y204-V235 HydrophobicContact CD1-CB 3.68Å; Y204-V235 HydrophobicContact CD1-CG1 4.18Å; Y204-V235 HydrophobicContact CE1-CB 3.73Å; Y204-V235 HydrophobicContact CE1-CG1 4.01Å; Y204-V235 HydrophobicContact CE1-CG2 4.23Å; Y204-I237 HydrophobicContact CD1-CD1 4.35Å; Y204-I237 HydrophobicContact CD1-CG1 3.46Å; Y204-I237 VanDerWaalsContact CD1-CG1 3.46Å; Y204-I237 HydrophobicContact CE1-CD1 4.24Å; Y204-I237 HydrophobicContact CE1-CG1 3.81Å; Y204-I237 HydrophobicContact CG-CG1 4.46Å; Y204-C262 HydrophobicContact CE1-CB 4.12Å; Y204-D266 HydrophobicContact CE2-CB 4.39Å; Y204-D266 VanDerWaalsContact OH-CB 3.31Å; Y204-D266 WeakPolarHBondContact OH-CB 3.47Å; Y204-T267 HydrophobicContact CD1-CG2 4Å; Y204-T267 HydrophobicContact CD2-CG2 4.18Å; Y204-T267 HydrophobicContact CE1-CG2 4.44Å; Y204-T267 HydrophobicContact CG-CG2 3.84Å; Y204-I274 PolarHBondContact O-N 3.43Å
205	V	94.8	Very high	87.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.5	152.4	171.4	0	0	0	0	107.1	L228 A229 R234 V235 L236 I237 I274 C276	V205-L228 HydrophobicContact CG1-CD2 4.36Å; V205-L228 HydrophobicContact CG2-CG 4.3Å; V205-A229 HydrophobicContact CB-CB 3.79Å; V205-A229 HydrophobicContact CG1-CB 4.41Å; V205-A229 HydrophobicContact CG2-CB 3.87Å; V205-R234 HydrophobicContact CG2-CB 3.91Å; V205-R234 HydrophobicContact CG2-CG 4.49Å; V205-V235 PolarHBondContact N-O 3.04Å; V205-L236 HydrophobicContact CB-CD1 4.38Å; V205-L236 HydrophobicContact CG1-CD1 4.02Å; V205-L236 WeakPolarHBondContact O-CA 3.48Å; V205-I237 PolarHBondContact O-N 3.2Å; V205-I274 CarbonylContact C-O 3.46Å; V205-I274 VanDerWaalsContact CA-O 3.24Å; V205-I274 WeakPolarHBondContact CA-O 3.29Å; V205-I274 HydrophobicContact CG2-CB 4.09Å; V205-I274 HydrophobicContact CG2-CG2 4.34Å; V205-C276 HydrophobicContact CG1-CB 3.96Å
206	T	93.7	Very high	87.4	Confident	13 Å²	13	52.9 Å²	52.9	8%	0.08	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.8	179.1	56.8	0	0	0	0	110.4	I237 M239 T267 N273 I274 C276	T206-I237 WeakPolarHBondContact CA-O 3.42Å; T206-M239 HydrophobicContact CG2-CG 4.49Å; T206-M239 HydrophobicContact CG2-SD 3.62Å; T206-T267 HydrophobicContact CG2-CG2 3.95Å; T206-N273 HydrophobicContact CG2-CB 4.45Å; T206-I274 PolarHBondContact N-O 3.37Å; T206-I274 PolarHBondContact OG1-O 2.77Å; T206-C276 WeakPolarHBondContact O-CB 3.38Å; T206-C276 PolarHBondContact O-N 3.18Å
207	F	90.8	Very high	86.9	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.3	178	177.5	-126.5	0	0	0	111.4	F209 L212 Q221 L222 C225 L236 I237 V238 M239 C276 F278	F207-F209 HydrophobicContact CD1-CD2 4.43Å; F207-F209 HydrophobicContact CD1-CE1 4.49Å; F207-F209 HydrophobicContact CD1-CE2 4.17Å; F207-F209 HydrophobicContact CD1-CZ 4.2Å; F207-F209 AromaticContact CE1-CD1 3.78Å; F207-F209 HydrophobicContact CE1-CD1 3.78Å; F207-F209 HydrophobicContact CE1-CD2 4.15Å; F207-F209 AromaticContact CE1-CE1 3.52Å; F207-F209 HydrophobicContact CE1-CE1 3.52Å; F207-F209 AromaticContact CE1-CE2 3.95Å; F207-F209 HydrophobicContact CE1-CE2 3.95Å; F207-F209 HydrophobicContact CE1-CG 4.07Å; F207-F209 AromaticContact CE1-CZ 3.63Å; F207-F209 HydrophobicContact CE1-CZ 3.63Å; F207-F209 HydrophobicContact CZ-CD1 4.1Å; F207-F209 HydrophobicContact CZ-CE1 4.17Å; F207-F209 HydrophobicContact CZ-CG 4.49Å; F207-L212 HydrophobicContact CE1-CD1 4.42Å; F207-L212 HydrophobicContact CE2-CD1 4.07Å; F207-L212 HydrophobicContact CZ-CD1 3.47Å; F207-L212 VanDerWaalsContact CZ-CD1 3.47Å; F207-Q221 HydrophobicContact CE1-CG 4.45Å; F207-Q221 HydrophobicContact CE2-CG 3.44Å; F207-Q221 VanDerWaalsContact CE2-CG 3.44Å; F207-Q221 HydrophobicContact CZ-CB 4.09Å; F207-Q221 HydrophobicContact CZ-CG 3.37Å; F207-L222 HydrophobicContact CD1-CB 4.49Å; F207-L222 HydrophobicContact CD1-CD1 3.7Å; F207-L222 HydrophobicContact CE1-CB 4.02Å; F207-L222 HydrophobicContact CE1-CD1 4.05Å; F207-C225 HydrophobicContact CB-CB 4.17Å; F207-C225 WeakPolarHBondContact CD2-SG 3.46Å; F207-C225 HydrophobicContact CG-CB 4.21Å; F207-C225 VanDerWaalsContact CG-SG 3.55Å; F207-L236 HydrophobicContact CB-CD1 4.29Å; F207-I237 PolarHBondContact N-O 2.78Å; F207-V238 CarbonylContact O-C 3.4Å; F207-V238 WeakPolarHBondContact O-CA 3.37Å; F207-M239 PolarHBondContact O-N 3.32Å; F207-C276 HydrophobicContact CB-CB 4.27Å; F207-C276 HydrophobicContact CD2-CB 4.23Å; F207-F278 HydrophobicContact CE2-CE1 4.01Å
208	D	85.7	Confident	86.6	Confident	37 Å²	37	47.6 Å²	47.6	20%	0.198	26%	0.262	C	S	.	.			trans	-123.7	125.4	179.6	-179.5	-1.1	0	0	0	108.8	T210 M239 H241	D208-T210 PolarHBondContact O-N 2.68Å; D208-T210 WeakPolarHBondContact OD1-CB 3.33Å; D208-T210 PolarHBondContact OD1-N 2.87Å; D208-T210 PolarHBondContact OD1-OG1 2.96Å; D208-T210 PolarHBondContact OD2-OG1 3.03Å; D208-T210 VanDerWaalsContact OD2-OG1 3.08Å; D208-M239 HydrophobicContact CB-CB 4.44Å; D208-H241 IonicContact OD1-ND1 3.5Å
209	F	78.1	Confident	86.4	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.031	25%	0.245	C	C	.	.			trans	-74.9	-8.9	-178.8	-78.9	-81.1	0	0	0	113.8	F207 N211 L212 L222 V238 D245 F247 R248 L251	F207-F209 HydrophobicContact CD1-CD2 4.43Å; F207-F209 HydrophobicContact CD1-CE1 4.49Å; F207-F209 HydrophobicContact CD1-CE2 4.17Å; F207-F209 HydrophobicContact CD1-CZ 4.2Å; F207-F209 AromaticContact CE1-CD1 3.78Å; F207-F209 HydrophobicContact CE1-CD1 3.78Å; F207-F209 HydrophobicContact CE1-CD2 4.15Å; F207-F209 AromaticContact CE1-CE1 3.52Å; F207-F209 HydrophobicContact CE1-CE1 3.52Å; F207-F209 AromaticContact CE1-CE2 3.95Å; F207-F209 HydrophobicContact CE1-CE2 3.95Å; F207-F209 HydrophobicContact CE1-CG 4.07Å; F207-F209 AromaticContact CE1-CZ 3.63Å; F207-F209 HydrophobicContact CE1-CZ 3.63Å; F207-F209 HydrophobicContact CZ-CD1 4.1Å; F207-F209 HydrophobicContact CZ-CE1 4.17Å; F207-F209 HydrophobicContact CZ-CG 4.49Å; F209-N211 PolarHBondContact O-N 3.36Å; F209-L212 HydrophobicContact CB-CD1 4.25Å; F209-L212 HydrophobicContact CD1-CD1 3.73Å; F209-L212 HydrophobicContact CG-CD1 4.36Å; F209-L212 WeakPolarHBondContact O-CB 3.25Å; F209-L212 WeakPolarHBondContact O-CD1 3.36Å; F209-L212 WeakPolarHBondContact O-CG 3.23Å; F209-L212 PolarHBondContact O-N 2.61Å; F209-L222 HydrophobicContact CE1-CB 4.43Å; F209-L222 HydrophobicContact CZ-CB 4.22Å; F209-L222 HydrophobicContact CZ-CD1 4.26Å; F209-L222 HydrophobicContact CZ-CD2 4.07Å; F209-L222 HydrophobicContact CZ-CG 4.41Å; F209-V238 HydrophobicContact CD2-CG1 3.72Å; F209-V238 HydrophobicContact CE2-CB 4.49Å; F209-V238 HydrophobicContact CE2-CG1 3.51Å; F209-V238 HydrophobicContact CE2-CG2 4.12Å; F209-D245 WeakPolarHBondContact CB-OD2 3.34Å; F209-F247 AromaticContact CD1-CD1 3.97Å; F209-F247 HydrophobicContact CD1-CD1 3.97Å; F209-F247 HydrophobicContact CD1-CE1 4.3Å; F209-F247 AromaticContact CE1-CD1 3.59Å; F209-F247 HydrophobicContact CE1-CD1 3.59Å; F209-F247 AromaticContact CE1-CE1 3.47Å; F209-F247 HydrophobicContact CE1-CE1 3.47Å; F209-F247 VanDerWaalsContact CE1-CE1 3.47Å; F209-F247 HydrophobicContact CZ-CD1 4.06Å; F209-F247 AromaticContact CZ-CE1 3.72Å; F209-F247 HydrophobicContact CZ-CE1 3.72Å; F209-R248 HydrophobicContact CD2-CB 4.18Å; F209-R248 HydrophobicContact CD2-CG 4.35Å; F209-L251 HydrophobicContact CZ-CD2 4.48Å
210	T	70.3	Confident	86.1	Confident	38 Å²	38	45 Å²	45	23%	0.233	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	129.6	-174.2	-54.5	0	0	0	0	112.2	D208 L212 H241	D208-T210 PolarHBondContact O-N 2.68Å; D208-T210 WeakPolarHBondContact OD1-CB 3.33Å; D208-T210 PolarHBondContact OD1-N 2.87Å; D208-T210 PolarHBondContact OD1-OG1 2.96Å; D208-T210 PolarHBondContact OD2-OG1 3.03Å; D208-T210 VanDerWaalsContact OD2-OG1 3.08Å; T210-L212 VanDerWaalsContact C-N 3.32Å; T210-L212 PolarHBondContact O-N 3.33Å; T210-H241 PolarHBondContact OG1-CE1 3.08Å; T210-H241 PolarHBondContact OG1-ND1 3.35Å
211	N	63.1	Low	86	Confident	161 Å²	161	37.9 Å²	37.9	86%	0.861	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	26.9	177.5	-60.4	-36	0	0	0	115.9	F209	F209-N211 PolarHBondContact O-N 3.36Å
212	L	72.7	Confident	86	Confident	43 Å²	43	30.6 Å²	30.6	23%	0.225	18%	0.179	C	C	.	.			trans	-80.5	163.1	173.6	-77.4	171.9	0	0	0	114.4	F207 F209 T210 S218 Q221 F278	F207-L212 HydrophobicContact CE1-CD1 4.42Å; F207-L212 HydrophobicContact CE2-CD1 4.07Å; F207-L212 HydrophobicContact CZ-CD1 3.47Å; F207-L212 VanDerWaalsContact CZ-CD1 3.47Å; F209-L212 HydrophobicContact CB-CD1 4.25Å; F209-L212 HydrophobicContact CD1-CD1 3.73Å; F209-L212 HydrophobicContact CG-CD1 4.36Å; F209-L212 WeakPolarHBondContact O-CB 3.25Å; F209-L212 WeakPolarHBondContact O-CD1 3.36Å; F209-L212 WeakPolarHBondContact O-CG 3.23Å; F209-L212 PolarHBondContact O-N 2.61Å; T210-L212 VanDerWaalsContact C-N 3.32Å; T210-L212 PolarHBondContact O-N 3.33Å; L212-S218 WeakPolarHBondContact CB-OG 3.35Å; L212-Q221 HydrophobicContact CD1-CG 4.36Å; L212-Q221 HydrophobicContact CD2-CG 4.3Å; L212-F278 HydrophobicContact CD1-CE1 4.07Å; L212-F278 HydrophobicContact CD2-CD1 3.54Å; L212-F278 HydrophobicContact CD2-CE1 3.37Å; L212-F278 HydrophobicContact CG-CD1 4.41Å; L212-F278 HydrophobicContact CG-CE1 3.74Å
213	C	78.1	Confident	85.8	Confident	47 Å²	47	30.4 Å²	30.4	32%	0.318	18%	0.176	S	C	.	.			trans	-64.7	175.2	169.4	43.9	0	0	0	0	112.8	C217 S218	C213-C217 HydrophobicContact CB-CB 3.55Å; C213-C217 WeakPolarHBondContact CB-SG 3.37Å; C213-C217 WeakPolarHBondContact SG-CB 3.45Å; C213-C217 CovalentContact SG-SG 2Å; C213-C217 PolarHBondContact SG-SG 3.01Å; C213-S218 PolarHBondContact O-OG 3.39Å
214	G	78.9	Confident	85.5	Confident	56 Å²	56	25.2 Å²	25.2	58%	0.577	15%	0.154	S	C	*	.	S	Bend	trans	-56.1	166.7	-179.7	0	0	0	0	0	114.7	G216 C217 S218	G214-G216 PolarHBondContact O-N 3.43Å; G214-G216 VanDerWaalsContact O-N 3.15Å; G214-C217 WeakPolarHBondContact O-CA 3.26Å; G214-C217 WeakPolarHBondContact O-CB 3.21Å; G214-C217 PolarHBondContact O-N 3.12Å; G214-S218 PolarHBondContact O-N 3.33Å
215	F	86.7	Confident	85.3	Confident	24 Å²	24	25.2 Å²	25.2	11%	0.105	15%	0.154	C	C	.	.	H	α-helix	trans	-38.4	-58.7	-171.6	159.9	-110	0	0	0	115	C217 S218 M219 F247 A461 I462 V465 I482 L485	F215-C217 PolarHBondContact O-N 2.93Å; F215-S218 WeakPolarHBondContact O-CB 3.43Å; F215-S218 PolarHBondContact O-N 3.27Å; F215-S218 VanDerWaalsContact O-N 3.1Å; F215-M219 HydrophobicContact CD2-CG 3.81Å; F215-M219 HydrophobicContact CE2-CB 4.41Å; F215-M219 HydrophobicContact CE2-CG 3.12Å; F215-M219 HydrophobicContact CE2-SD 3.97Å; F215-M219 HydrophobicContact CZ-CG 3.53Å; F215-M219 PolarHBondContact O-N 3.4Å; F215-F247 AromaticContact CD2-CD2 3.66Å; F215-F247 HydrophobicContact CD2-CD2 3.66Å; F215-F247 AromaticContact CD2-CE2 3.34Å; F215-F247 HydrophobicContact CD2-CE2 3.34Å; F215-F247 HydrophobicContact CD2-CG 4.48Å; F215-F247 AromaticContact CD2-CZ 3.89Å; F215-F247 HydrophobicContact CD2-CZ 3.89Å; F215-F247 HydrophobicContact CE2-CD2 4.25Å; F215-F247 AromaticContact CE2-CE2 3.47Å; F215-F247 HydrophobicContact CE2-CE2 3.47Å; F215-F247 VanDerWaalsContact CE2-CE2 3.47Å; F215-F247 AromaticContact CE2-CZ 3.88Å; F215-F247 HydrophobicContact CE2-CZ 3.88Å; F215-A461 HydrophobicContact CD1-CB 4.36Å; F215-I462 HydrophobicContact CD1-CG1 4.31Å; F215-I462 HydrophobicContact CD2-CD1 4.03Å; F215-I462 HydrophobicContact CD2-CG1 4.16Å; F215-I462 HydrophobicContact CE1-CG1 3.72Å; F215-I462 HydrophobicContact CE2-CD1 3.47Å; F215-I462 VanDerWaalsContact CE2-CD1 3.47Å; F215-I462 HydrophobicContact CE2-CG1 3.5Å; F215-I462 HydrophobicContact CZ-CD1 3.84Å; F215-I462 HydrophobicContact CZ-CG1 3.3Å; F215-V465 HydrophobicContact CE1-CG2 4.15Å; F215-I482 HydrophobicContact CD1-CD1 3.59Å; F215-I482 HydrophobicContact CE1-CD1 3.95Å; F215-L485 HydrophobicContact CE1-CD2 3.93Å; F215-L485 HydrophobicContact CZ-CD2 3.64Å
216	G	87.3	Confident	85.2	Confident	4 Å²	4	25.2 Å²	25.2	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-33.1	-176.2	0	0	0	0	0	113.3	G214 H220	G214-G216 PolarHBondContact O-N 3.43Å; G214-G216 VanDerWaalsContact O-N 3.15Å; G216-H220 PolarHBondContact O-N 3.1Å; G216-H220 PolarHBondContact O-ND1 3.31Å
217	C	86.5	Confident	85.1	Confident	37 Å²	37	24.8 Å²	24.8	25%	0.25	15%	0.151	C	C	.	.	H	α-helix	trans	-76.2	-37.7	177.1	176.6	0	0	0	0	111.6	C213 G214 F215 M219 H220 Q221	C213-C217 HydrophobicContact CB-CB 3.55Å; C213-C217 WeakPolarHBondContact CB-SG 3.37Å; C213-C217 WeakPolarHBondContact SG-CB 3.45Å; C213-C217 CovalentContact SG-SG 2Å; C213-C217 PolarHBondContact SG-SG 3.01Å; G214-C217 WeakPolarHBondContact O-CA 3.26Å; G214-C217 WeakPolarHBondContact O-CB 3.21Å; G214-C217 PolarHBondContact O-N 3.12Å; F215-C217 PolarHBondContact O-N 2.93Å; C217-M219 VanDerWaalsContact C-N 3.32Å; C217-M219 PolarHBondContact O-N 2.95Å; C217-H220 PolarHBondContact O-N 3.04Å; C217-Q221 PolarHBondContact O-N 3.49Å; C217-Q221 VanDerWaalsContact O-N 3.08Å
218	S	88.7	Confident	85	Confident	8 Å²	8	24.8 Å²	24.8	6%	0.056	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-38.4	170.5	-71.9	0	0	0	0	112.4	L212 C213 G214 F215 Q221 L222	L212-S218 WeakPolarHBondContact CB-OG 3.35Å; C213-S218 PolarHBondContact O-OG 3.39Å; G214-S218 PolarHBondContact O-N 3.33Å; F215-S218 WeakPolarHBondContact O-CB 3.43Å; F215-S218 PolarHBondContact O-N 3.27Å; F215-S218 VanDerWaalsContact O-N 3.1Å; S218-Q221 PolarHBondContact O-N 3.46Å; S218-L222 PolarHBondContact O-N 2.86Å
219	M	91.2	Very high	85.3	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-49.9	174.7	-82.5	-61.9	-62.2	0	0	112.8	F215 C217 Q221 L222 M223 F247 I320 L321 L485	F215-M219 HydrophobicContact CD2-CG 3.81Å; F215-M219 HydrophobicContact CE2-CB 4.41Å; F215-M219 HydrophobicContact CE2-CG 3.12Å; F215-M219 HydrophobicContact CE2-SD 3.97Å; F215-M219 HydrophobicContact CZ-CG 3.53Å; F215-M219 PolarHBondContact O-N 3.4Å; C217-M219 VanDerWaalsContact C-N 3.32Å; C217-M219 PolarHBondContact O-N 2.95Å; M219-Q221 VanDerWaalsContact C-N 3.25Å; M219-Q221 PolarHBondContact O-N 3.5Å; M219-L222 WeakPolarHBondContact O-CB 3.28Å; M219-L222 PolarHBondContact O-N 3.17Å; M219-L222 VanDerWaalsContact O-N 3.1Å; M219-M223 VanDerWaalsContact O-CG 3.31Å; M219-M223 WeakPolarHBondContact O-CG 3.32Å; M219-M223 PolarHBondContact O-N 3.41Å; M219-F247 HydrophobicContact CG-CZ 3.92Å; M219-F247 HydrophobicContact SD-CE1 4.18Å; M219-F247 HydrophobicContact SD-CE2 4.35Å; M219-F247 HydrophobicContact SD-CZ 3.45Å; M219-F247 WeakPolarHBondContact SD-CZ 3.22Å; M219-I320 HydrophobicContact CE-CB 4.33Å; M219-I320 HydrophobicContact CE-CD1 4.46Å; M219-I320 HydrophobicContact CE-CG2 3.78Å; M219-I320 HydrophobicContact SD-CG2 4.21Å; M219-L321 HydrophobicContact CE-CD1 4Å; M219-L321 HydrophobicContact CE-CD2 3.92Å; M219-L321 HydrophobicContact CE-CG 3.83Å; M219-L321 HydrophobicContact SD-CD2 4.31Å; M219-L485 HydrophobicContact CB-CD2 4.01Å; M219-L485 HydrophobicContact CE-CD1 4.47Å; M219-L485 HydrophobicContact CG-CD2 4Å
220	H	90.2	Very high	85.9	Confident	27 Å²	27	23.2 Å²	23.2	13%	0.125	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-33.6	177.8	-64.1	128.7	0	0	0	112.3	G216 C217 M223 F224 N481 E488	G216-H220 PolarHBondContact O-N 3.1Å; G216-H220 PolarHBondContact O-ND1 3.31Å; C217-H220 PolarHBondContact O-N 3.04Å; H220-M223 PolarHBondContact O-N 2.77Å; H220-F224 WeakPolarHBondContact O-CB 3.38Å; H220-F224 PolarHBondContact O-N 3.37Å; H220-N481 PolarHBondContact CE1-O 3.25Å; H220-N481 VanDerWaalsContact CE1-O 3.23Å; H220-N481 PolarHBondContact CE1-OD1 2.89Å; H220-N481 PolarHBondContact ND1-OD1 3.24Å; H220-E488 IonicContact CD2-OE1 3.8Å; H220-E488 IonicContact CD2-OE2 3.49Å; H220-E488 PolarHBondContact CD2-OE2 3.45Å; H220-E488 IonicContact NE2-OE1 3.56Å; H220-E488 PolarHBondContact NE2-OE1 2.89Å; H220-E488 IonicContact NE2-OE2 2.77Å; H220-E488 PolarHBondContact NE2-OE2 3.15Å; H220-E488 VanDerWaalsContact NE2-OE2 3.17Å
221	Q	88.8	Confident	86.6	Confident	12 Å²	12	22.1 Å²	22.1	6%	0.056	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-42.9	172.4	-178.7	64.7	50	0	0	111.6	F207 L212 C217 S218 M219 M223 F224 C225 P277 F278	F207-Q221 HydrophobicContact CE1-CG 4.45Å; F207-Q221 HydrophobicContact CE2-CG 3.44Å; F207-Q221 VanDerWaalsContact CE2-CG 3.44Å; F207-Q221 HydrophobicContact CZ-CB 4.09Å; F207-Q221 HydrophobicContact CZ-CG 3.37Å; L212-Q221 HydrophobicContact CD1-CG 4.36Å; L212-Q221 HydrophobicContact CD2-CG 4.3Å; C217-Q221 PolarHBondContact O-N 3.49Å; C217-Q221 VanDerWaalsContact O-N 3.08Å; S218-Q221 PolarHBondContact O-N 3.46Å; M219-Q221 VanDerWaalsContact C-N 3.25Å; M219-Q221 PolarHBondContact O-N 3.5Å; Q221-M223 VanDerWaalsContact C-N 3.35Å; Q221-F224 PolarHBondContact O-N 2.91Å; Q221-C225 PolarHBondContact NE2-SG 3.45Å; Q221-C225 VanDerWaalsContact NE2-SG 3.44Å; Q221-C225 PolarHBondContact O-N 3.15Å; Q221-C225 PolarHBondContact O-SG 2.68Å; Q221-P277 PolarHBondContact NE2-O 3.23Å; Q221-F278 HydrophobicContact CG-CD1 4.19Å
222	L	92.1	Very high	87.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-43.6	174.7	178.2	64.3	0	0	0	111.3	F207 F209 S218 M219 F224 C225 F226 L236 V238 L251 L258 I320	F207-L222 HydrophobicContact CD1-CB 4.49Å; F207-L222 HydrophobicContact CD1-CD1 3.7Å; F207-L222 HydrophobicContact CE1-CB 4.02Å; F207-L222 HydrophobicContact CE1-CD1 4.05Å; F209-L222 HydrophobicContact CE1-CB 4.43Å; F209-L222 HydrophobicContact CZ-CB 4.22Å; F209-L222 HydrophobicContact CZ-CD1 4.26Å; F209-L222 HydrophobicContact CZ-CD2 4.07Å; F209-L222 HydrophobicContact CZ-CG 4.41Å; S218-L222 PolarHBondContact O-N 2.86Å; M219-L222 WeakPolarHBondContact O-CB 3.28Å; M219-L222 PolarHBondContact O-N 3.17Å; M219-L222 VanDerWaalsContact O-N 3.1Å; L222-F224 VanDerWaalsContact C-N 3.34Å; L222-F224 PolarHBondContact O-N 3.05Å; L222-C225 PolarHBondContact O-N 3.17Å; L222-F226 WeakPolarHBondContact O-CB 3.34Å; L222-F226 PolarHBondContact O-N 2.77Å; L222-L236 HydrophobicContact CD1-CD2 3.91Å; L222-V238 HydrophobicContact CD1-CG2 3.88Å; L222-L251 HydrophobicContact CD2-CD2 4.09Å; L222-L258 HydrophobicContact CD1-CD1 4.31Å; L222-I320 HydrophobicContact CD2-CB 4.48Å; L222-I320 HydrophobicContact CD2-CD1 3.82Å; L222-I320 HydrophobicContact CD2-CG1 4.08Å; L222-I320 HydrophobicContact CD2-CG2 3.55Å; L222-I320 HydrophobicContact CG-CD1 3.81Å; L222-I320 HydrophobicContact CG-CG1 4.43Å
223	M	92.3	Very high	88.6	Confident	9 Å²	9	19.7 Å²	19.7	4%	0.044	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-43	176.6	-69.8	164	57.3	0	0	111.7	M219 H220 Q221 F226 Q227 A313 L316 A317 I320 L485 E488	M219-M223 VanDerWaalsContact O-CG 3.31Å; M219-M223 WeakPolarHBondContact O-CG 3.32Å; M219-M223 PolarHBondContact O-N 3.41Å; H220-M223 PolarHBondContact O-N 2.77Å; Q221-M223 VanDerWaalsContact C-N 3.35Å; M223-F226 WeakPolarHBondContact O-CB 3.25Å; M223-F226 PolarHBondContact O-N 2.92Å; M223-Q227 PolarHBondContact O-N 3.23Å; M223-A313 HydrophobicContact CE-CB 3.68Å; M223-A313 WeakPolarHBondContact CE-O 3.37Å; M223-L316 HydrophobicContact CG-CB 4.46Å; M223-A317 HydrophobicContact CE-CB 4.04Å; M223-A317 HydrophobicContact SD-CB 3.88Å; M223-I320 HydrophobicContact CG-CD1 3.69Å; M223-L485 HydrophobicContact SD-CD1 3.93Å; M223-E488 VanDerWaalsContact CE-OE2 3.27Å; M223-E488 WeakPolarHBondContact CE-OE2 3.46Å
224	F	89.1	Confident	89.4	Confident	4 Å²	4	19 Å²	19	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-45.4	173.3	166.3	-95.8	0	0	0	112.6	H220 Q221 L222 F226 Q227 L228 P277 I279 I284 W288 P290	H220-F224 WeakPolarHBondContact O-CB 3.38Å; H220-F224 PolarHBondContact O-N 3.37Å; Q221-F224 PolarHBondContact O-N 2.91Å; L222-F224 VanDerWaalsContact C-N 3.34Å; L222-F224 PolarHBondContact O-N 3.05Å; F224-F226 PolarHBondContact O-N 2.82Å; F224-Q227 PolarHBondContact O-N 2.71Å; F224-L228 PolarHBondContact O-N 3.42Å; F224-P277 HydrophobicContact CE1-CG 3.88Å; F224-P277 VanDerWaalsContact CE1-O 3.24Å; F224-P277 WeakPolarHBondContact CE1-O 3.47Å; F224-P277 HydrophobicContact CZ-CG 4.02Å; F224-I279 HydrophobicContact CB-CD1 3.29Å; F224-I279 HydrophobicContact CB-CG1 4.01Å; F224-I279 HydrophobicContact CD1-CD1 3.91Å; F224-I279 HydrophobicContact CD1-CG1 3.59Å; F224-I279 HydrophobicContact CD2-CD1 3.69Å; F224-I279 HydrophobicContact CD2-CG1 3.73Å; F224-I279 HydrophobicContact CE1-CG1 3.95Å; F224-I279 HydrophobicContact CE2-CD1 4.46Å; F224-I279 HydrophobicContact CE2-CG1 4.03Å; F224-I279 HydrophobicContact CG-CD1 3.33Å; F224-I279 HydrophobicContact CG-CG1 3.47Å; F224-I279 VanDerWaalsContact CG-CG1 3.47Å; F224-I279 HydrophobicContact CZ-CG1 4.15Å; F224-I284 HydrophobicContact CE1-CD1 4.36Å; F224-I284 HydrophobicContact CE2-CD1 3.75Å; F224-I284 HydrophobicContact CE2-CG2 4.14Å; F224-I284 HydrophobicContact CZ-CD1 3.55Å; F224-I284 HydrophobicContact CZ-CG1 4.1Å; F224-I284 HydrophobicContact CZ-CG2 4.09Å; F224-W288 WeakPolarHBondContact CE2-O 3.21Å; F224-P290 HydrophobicContact CD2-CG 4.02Å
225	C	91.3	Very high	90.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-33.4	175.7	-61.4	0	0	0	0	111.9	F207 Q221 L222 A229 L236 C276	F207-C225 HydrophobicContact CB-CB 4.17Å; F207-C225 WeakPolarHBondContact CD2-SG 3.46Å; F207-C225 HydrophobicContact CG-CB 4.21Å; F207-C225 VanDerWaalsContact CG-SG 3.55Å; Q221-C225 PolarHBondContact NE2-SG 3.45Å; Q221-C225 VanDerWaalsContact NE2-SG 3.44Å; Q221-C225 PolarHBondContact O-N 3.15Å; Q221-C225 PolarHBondContact O-SG 2.68Å; L222-C225 PolarHBondContact O-N 3.17Å; C225-A229 WeakPolarHBondContact O-CB 3.27Å; C225-A229 PolarHBondContact O-N 3.08Å; C225-L236 HydrophobicContact CB-CD1 3.97Å; C225-C276 WeakPolarHBondContact CA-SG 2.93Å; C225-C276 HydrophobicContact CB-CB 3.7Å; C225-C276 WeakPolarHBondContact CB-SG 3.17Å; C225-C276 WeakPolarHBondContact SG-CB 3.45Å; C225-C276 CovalentContact SG-SG 2.02Å; C225-C276 PolarHBondContact SG-SG 2.91Å
226	F	93.6	Very high	90.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.4	-42.2	176.5	-157.2	176.1	0	0	0	111.8	I190 Q194 L222 M223 F224 A229 F230 L236 L258 L316 Y319 I320	I190-F226 HydrophobicContact CG2-CE1 4.25Å; I190-F226 HydrophobicContact CG2-CE2 3.77Å; I190-F226 HydrophobicContact CG2-CZ 3.31Å; Q194-F226 HydrophobicContact CG-CE2 3.9Å; Q194-F226 HydrophobicContact CG-CZ 4.06Å; L222-F226 WeakPolarHBondContact O-CB 3.34Å; L222-F226 PolarHBondContact O-N 2.77Å; M223-F226 WeakPolarHBondContact O-CB 3.25Å; M223-F226 PolarHBondContact O-N 2.92Å; F224-F226 PolarHBondContact O-N 2.82Å; F226-A229 PolarHBondContact O-N 3.27Å; F226-F230 VanDerWaalsContact O-CB 3.3Å; F226-F230 WeakPolarHBondContact O-CB 3.35Å; F226-F230 PolarHBondContact O-N 3.19Å; F226-L236 HydrophobicContact CB-CD2 3.64Å; F226-L236 HydrophobicContact CD1-CD2 4.45Å; F226-L236 HydrophobicContact CD2-CB 4.25Å; F226-L236 HydrophobicContact CD2-CD2 4Å; F226-L236 HydrophobicContact CG-CD2 3.79Å; F226-L258 HydrophobicContact CE1-CD2 4.47Å; F226-L316 HydrophobicContact CD1-CB 4.4Å; F226-L316 HydrophobicContact CD1-CD2 4.12Å; F226-L316 HydrophobicContact CG-CD2 4.19Å; F226-Y319 AromaticContact CE1-CD1 3.43Å; F226-Y319 HydrophobicContact CE1-CD1 3.43Å; F226-Y319 VanDerWaalsContact CE1-CD1 3.43Å; F226-Y319 HydrophobicContact CE1-CE1 4.15Å; F226-Y319 HydrophobicContact CE1-CG 4.02Å; F226-Y319 AromaticContact CZ-CD1 3.45Å; F226-Y319 HydrophobicContact CZ-CD1 3.45Å; F226-Y319 VanDerWaalsContact CZ-CD1 3.45Å; F226-Y319 AromaticContact CZ-CE1 3.73Å; F226-Y319 HydrophobicContact CZ-CE1 3.73Å; F226-Y319 HydrophobicContact CZ-CG 4.12Å; F226-I320 HydrophobicContact CD1-CD1 3.94Å; F226-I320 HydrophobicContact CD1-CG1 3.78Å; F226-I320 HydrophobicContact CE1-CG1 4.03Å
227	Q	90.6	Very high	91.2	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-47.9	171.6	177	163	-10.9	0	0	111.4	M223 F224 A229 F230 E231 L289 P290 V292 F312 L316	M223-Q227 PolarHBondContact O-N 3.23Å; F224-Q227 PolarHBondContact O-N 2.71Å; Q227-A229 VanDerWaalsContact C-N 3.31Å; Q227-A229 PolarHBondContact O-N 3.34Å; Q227-F230 WeakPolarHBondContact O-CB 3.28Å; Q227-F230 PolarHBondContact O-N 3.21Å; Q227-F230 VanDerWaalsContact O-N 3.14Å; Q227-E231 HydrophobicContact CG-CG 4.24Å; Q227-E231 VanDerWaalsContact CG-OE1 3.31Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.37Å; Q227-E231 PolarHBondContact NE2-OE1 3Å; Q227-E231 WeakPolarHBondContact O-CB 3.34Å; Q227-E231 WeakPolarHBondContact O-CG 3.32Å; Q227-E231 PolarHBondContact O-N 3.34Å; Q227-L289 PolarHBondContact NE2-O 3.22Å; Q227-P290 PolarHBondContact OE1-O 2.96Å; Q227-V292 PolarHBondContact NE2-O 2.81Å; Q227-F312 HydrophobicContact CB-CE1 4.31Å; Q227-F312 HydrophobicContact CG-CE1 3.92Å; Q227-L316 HydrophobicContact CB-CD1 3.85Å
228	L	88.6	Confident	91.4	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-57.2	-45.3	176.2	177.1	62.8	0	0	0	111.3	V205 F224 S232 I274 W288	V205-L228 HydrophobicContact CG1-CD2 4.36Å; V205-L228 HydrophobicContact CG2-CG 4.3Å; F224-L228 PolarHBondContact O-N 3.42Å; L228-S232 VanDerWaalsContact O-CB 3.31Å; L228-S232 WeakPolarHBondContact O-CB 3.38Å; L228-S232 PolarHBondContact O-N 3.11Å; L228-S232 VanDerWaalsContact O-N 3.08Å; L228-S232 PolarHBondContact O-OG 2.91Å; L228-I274 HydrophobicContact CD2-CG2 4.16Å; L228-W288 HydrophobicContact CD1-CB 4.34Å; L228-W288 HydrophobicContact CD1-CD2 3.83Å; L228-W288 HydrophobicContact CD1-CE3 4.19Å; L228-W288 HydrophobicContact CD1-CG 3.89Å
229	A	92.4	Very high	91.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-46	176.2	0	0	0	0	0	111.5	Q193 V205 C225 F226 Q227 S232 E233 R234 L236	Q193-A229 PolarHBondContact NE2-O 3.46Å; V205-A229 HydrophobicContact CB-CB 3.79Å; V205-A229 HydrophobicContact CG1-CB 4.41Å; V205-A229 HydrophobicContact CG2-CB 3.87Å; C225-A229 WeakPolarHBondContact O-CB 3.27Å; C225-A229 PolarHBondContact O-N 3.08Å; F226-A229 PolarHBondContact O-N 3.27Å; Q227-A229 VanDerWaalsContact C-N 3.31Å; Q227-A229 PolarHBondContact O-N 3.34Å; A229-S232 PolarHBondContact O-N 2.9Å; A229-S232 PolarHBondContact O-OG 3.23Å; A229-E233 PolarHBondContact O-N 3.4Å; A229-R234 CarbonylContact C-O 3.58Å; A229-R234 PolarHBondContact O-N 3.26Å; A229-L236 HydrophobicContact CB-CB 3.77Å; A229-L236 HydrophobicContact CB-CD1 4.49Å
230	F	91.1	Very high	90.7	Very high	10 Å²	10	21.6 Å²	21.6	4%	0.044	11%	0.109	C	C	.	.	H	α-helix	trans	-58.1	-53.4	178.3	-171.3	-105.9	0	0	0	111.9	L186 K189 I190 Q193 F226 Q227 S232 E233 P294 F312	L186-F230 HydrophobicContact CD1-CE1 3.9Å; L186-F230 HydrophobicContact CD1-CE2 4.06Å; L186-F230 HydrophobicContact CD1-CZ 3.43Å; L186-F230 VanDerWaalsContact CD1-CZ 3.43Å; K189-F230 HydrophobicContact CB-CE2 4.36Å; K189-F230 HydrophobicContact CD-CE2 4.17Å; K189-F230 HydrophobicContact CD-CZ 3.78Å; K189-F230 HydrophobicContact CG-CE2 3.91Å; K189-F230 HydrophobicContact CG-CZ 4.04Å; I190-F230 HydrophobicContact CG1-CD2 3.79Å; I190-F230 HydrophobicContact CG1-CE2 3.61Å; I190-F230 HydrophobicContact CG1-CZ 4.43Å; Q193-F230 VanDerWaalsContact NE2-CA 3.25Å; Q193-F230 PolarHBondContact NE2-O 2.81Å; Q193-F230 PolarHBondContact OE1-O 3.45Å; F226-F230 VanDerWaalsContact O-CB 3.3Å; F226-F230 WeakPolarHBondContact O-CB 3.35Å; F226-F230 PolarHBondContact O-N 3.19Å; Q227-F230 WeakPolarHBondContact O-CB 3.28Å; Q227-F230 PolarHBondContact O-N 3.21Å; Q227-F230 VanDerWaalsContact O-N 3.14Å; F230-S232 VanDerWaalsContact C-N 3.27Å; F230-S232 PolarHBondContact O-N 2.67Å; F230-E233 PolarHBondContact O-N 3.31Å; F230-P294 HydrophobicContact CD1-CG 4.24Å; F230-P294 HydrophobicContact CE1-CB 4.27Å; F230-P294 HydrophobicContact CE1-CG 3.66Å; F230-F312 HydrophobicContact CD1-CE2 4.45Å; F230-F312 AromaticContact CD1-CZ 3.98Å; F230-F312 HydrophobicContact CD1-CZ 3.98Å; F230-F312 HydrophobicContact CE1-CE2 4.34Å; F230-F312 HydrophobicContact CE1-CZ 4.31Å
231	E	85.5	Confident	89.7	Confident	15 Å²	15	23 Å²	23	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-68.1	-23.3	-178.2	-69.9	176.9	-178.6	0	0	113.9	Q227 V292 F578	Q227-E231 HydrophobicContact CG-CG 4.24Å; Q227-E231 VanDerWaalsContact CG-OE1 3.31Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.37Å; Q227-E231 PolarHBondContact NE2-OE1 3Å; Q227-E231 WeakPolarHBondContact O-CB 3.34Å; Q227-E231 WeakPolarHBondContact O-CG 3.32Å; Q227-E231 PolarHBondContact O-N 3.34Å; E231-V292 WeakPolarHBondContact OE1-CG1 3.37Å; E231-F578 HydrophobicContact CB-CD2 4.28Å; E231-F578 VanDerWaalsContact O-CB 3.31Å; E231-F578 WeakPolarHBondContact O-CB 3.13Å
232	S	87.5	Confident	88.6	Confident	35 Å²	35	26.3 Å²	26.3	25%	0.245	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.4	179	62	0	0	0	0	114	L228 A229 F230 R234	L228-S232 VanDerWaalsContact O-CB 3.31Å; L228-S232 WeakPolarHBondContact O-CB 3.38Å; L228-S232 PolarHBondContact O-N 3.11Å; L228-S232 VanDerWaalsContact O-N 3.08Å; L228-S232 PolarHBondContact O-OG 2.91Å; A229-S232 PolarHBondContact O-N 2.9Å; A229-S232 PolarHBondContact O-OG 3.23Å; F230-S232 VanDerWaalsContact C-N 3.27Å; F230-S232 PolarHBondContact O-N 2.67Å; S232-R234 VanDerWaalsContact C-N 3.27Å; S232-R234 WeakPolarHBondContact O-CG 3.42Å; S232-R234 PolarHBondContact O-N 3.47Å; S232-R234 WeakPolarHBondContact OG-CD 3.39Å
233	E	90.5	Very high	87.5	Confident	118 Å²	118	32.9 Å²	32.9	55%	0.551	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	40.5	-179.8	-52.7	-160.9	145.4	0	0	113.8	A229 F230	A229-E233 PolarHBondContact O-N 3.4Å; F230-E233 PolarHBondContact O-N 3.31Å
234	R	94.6	Very high	86.6	Confident	32 Å²	32	35.5 Å²	35.5	12%	0.121	21%	0.21	C	C	.	.			trans	-117	149.4	-176.5	-75.7	166.4	-176.3	-94.2	4.4	111.9	Q193 K203 Y204 V205 A229 S232 D272 I274	Q193-R234 VanDerWaalsContact NE2-N 3.17Å; Q193-R234 PolarHBondContact NE2-O 3.18Å; K203-R234 HydrophobicContact CB-CG 3.65Å; K203-R234 CarbonylContact O-C 3.49Å; K203-R234 VanDerWaalsContact O-CA 3.29Å; K203-R234 WeakPolarHBondContact O-CA 3.42Å; K203-R234 WeakPolarHBondContact O-CB 3.47Å; Y204-R234 PolarHBondContact O-NH1 2.84Å; V205-R234 HydrophobicContact CG2-CB 3.91Å; V205-R234 HydrophobicContact CG2-CG 4.49Å; A229-R234 CarbonylContact C-O 3.58Å; A229-R234 PolarHBondContact O-N 3.26Å; S232-R234 VanDerWaalsContact C-N 3.27Å; S232-R234 WeakPolarHBondContact O-CG 3.42Å; S232-R234 PolarHBondContact O-N 3.47Å; S232-R234 WeakPolarHBondContact OG-CD 3.39Å; R234-D272 PolarHBondContact NH1-O 3.44Å; R234-D272 PolarHBondContact NH2-O 3.42Å; R234-I274 VanDerWaalsContact NE-CD1 3.33Å
235	V	97.1	Very high	86.2	Confident	4 Å²	4	37 Å²	37	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136	169.2	-177.5	0	0	0	0	108.4	Q193 P196 A202 K203 Y204 V205 I237 C262	Q193-V235 WeakPolarHBondContact O-CG2 3.27Å; P196-V235 HydrophobicContact CG-CG2 3.87Å; A202-V235 HydrophobicContact CB-CG2 4.04Å; K203-V235 PolarHBondContact O-N 3.37Å; Y204-V235 WeakPolarHBondContact CA-O 3.43Å; Y204-V235 HydrophobicContact CD1-CB 3.68Å; Y204-V235 HydrophobicContact CD1-CG1 4.18Å; Y204-V235 HydrophobicContact CE1-CB 3.73Å; Y204-V235 HydrophobicContact CE1-CG1 4.01Å; Y204-V235 HydrophobicContact CE1-CG2 4.23Å; V205-V235 PolarHBondContact N-O 3.04Å; V235-I237 HydrophobicContact CG1-CD1 3.84Å; V235-I237 HydrophobicContact CG1-CG1 4.17Å; V235-C262 HydrophobicContact CG1-CB 4.29Å
236	L	96.9	Very high	85.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.4	175.9	174	64.5	0	0	0	108.3	Q194 V205 F207 L222 C225 F226 A229 L258	Q194-L236 VanDerWaalsContact NE2-N 3.1Å; Q194-L236 PolarHBondContact OE1-O 3.42Å; V205-L236 HydrophobicContact CB-CD1 4.38Å; V205-L236 HydrophobicContact CG1-CD1 4.02Å; V205-L236 WeakPolarHBondContact O-CA 3.48Å; F207-L236 HydrophobicContact CB-CD1 4.29Å; L222-L236 HydrophobicContact CD1-CD2 3.91Å; C225-L236 HydrophobicContact CB-CD1 3.97Å; F226-L236 HydrophobicContact CB-CD2 3.64Å; F226-L236 HydrophobicContact CD1-CD2 4.45Å; F226-L236 HydrophobicContact CD2-CB 4.25Å; F226-L236 HydrophobicContact CD2-CD2 4Å; F226-L236 HydrophobicContact CG-CD2 3.79Å; A229-L236 HydrophobicContact CB-CB 3.77Å; A229-L236 HydrophobicContact CB-CD1 4.49Å; L236-L258 HydrophobicContact CD2-CD1 3.83Å; L236-L258 HydrophobicContact CG-CD1 4.23Å
237	I	95.7	Very high	85.6	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.1	177.2	-60.9	-65.4	0	0	0	109.9	Y204 V205 T206 F207 V235 M239 C262 H264 T267	Y204-I237 HydrophobicContact CD1-CD1 4.35Å; Y204-I237 HydrophobicContact CD1-CG1 3.46Å; Y204-I237 VanDerWaalsContact CD1-CG1 3.46Å; Y204-I237 HydrophobicContact CE1-CD1 4.24Å; Y204-I237 HydrophobicContact CE1-CG1 3.81Å; Y204-I237 HydrophobicContact CG-CG1 4.46Å; V205-I237 PolarHBondContact O-N 3.2Å; T206-I237 WeakPolarHBondContact CA-O 3.42Å; F207-I237 PolarHBondContact N-O 2.78Å; V235-I237 HydrophobicContact CG1-CD1 3.84Å; V235-I237 HydrophobicContact CG1-CG1 4.17Å; I237-M239 HydrophobicContact CG2-SD 4.47Å; I237-M239 PolarHBondContact O-N 3.45Å; I237-C262 HydrophobicContact CD1-CB 4.09Å; I237-H264 HydrophobicContact CG2-CB 4.04Å; I237-T267 HydrophobicContact CB-CG2 3.89Å; I237-T267 HydrophobicContact CG1-CG2 3.86Å; I237-T267 HydrophobicContact CG2-CG2 3.81Å
238	V	92.1	Very high	85.4	Confident	28 Å²	28	41.3 Å²	41.3	17%	0.17	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.9	168.1	176.4	0	0	0	0	108	F207 F209 L222 R248 L258	F207-V238 CarbonylContact O-C 3.4Å; F207-V238 WeakPolarHBondContact O-CA 3.37Å; F209-V238 HydrophobicContact CD2-CG1 3.72Å; F209-V238 HydrophobicContact CE2-CB 4.49Å; F209-V238 HydrophobicContact CE2-CG1 3.51Å; F209-V238 HydrophobicContact CE2-CG2 4.12Å; L222-V238 HydrophobicContact CD1-CG2 3.88Å; V238-R248 HydrophobicContact CG1-CG 4.31Å; V238-L258 HydrophobicContact CG2-CD1 3.84Å
239	M	87.7	Confident	85.4	Confident	48 Å²	48	45.5 Å²	45.5	24%	0.236	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-65.7	156.9	-175.8	-64.5	-58	-75.4	0	0	112.3	T206 F207 D208 I237 R248	T206-M239 HydrophobicContact CG2-CG 4.49Å; T206-M239 HydrophobicContact CG2-SD 3.62Å; F207-M239 PolarHBondContact O-N 3.32Å; D208-M239 HydrophobicContact CB-CB 4.44Å; I237-M239 HydrophobicContact CG2-SD 4.47Å; I237-M239 PolarHBondContact O-N 3.45Å; M239-R248 PolarHBondContact O-NE 2.7Å; M239-R248 PolarHBondContact O-NH2 2.98Å
240	N	77.6	Confident	85.4	Confident	95 Å²	95	45.5 Å²	45.5	51%	0.508	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-76.3	141.7	172.1	-151.3	12.9	0	0	0	112	R248	N240-R248 VanDerWaalsContact CA-NH2 3.35Å; N240-R248 PolarHBondContact OD1-NH1 3.02Å; N240-R248 VanDerWaalsContact OD1-NH1 3.09Å; N240-R248 PolarHBondContact OD1-NH2 3.14Å
241	H	67.6	Low	85.4	Confident	57 Å²	57	45.7 Å²	45.7	26%	0.264	26%	0.259	S	S	.	.			trans	-138.7	149.3	-176.7	-168.1	75	0	0	0	108.3	D208 T210 R248	D208-H241 IonicContact OD1-ND1 3.5Å; T210-H241 PolarHBondContact OG1-CE1 3.08Å; T210-H241 PolarHBondContact OG1-ND1 3.35Å; H241-R248 PolarHBondContact O-NH1 3.37Å
242	P	66.3	Low	85.6	Confident	81 Å²	81	51.3 Å²	51.3	53%	0.526	29%	0.286	S	S	.	.			trans	-51.5	158.3	174.1	14.2	-30.6	0	0	0	114	G244	P242-G244 PolarHBondContact O-N 2.94Å
243	P	70	Confident	85.9	Confident	139 Å²	139	53.5 Å²	53.5	90%	0.903	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	139.4	172.4	-24.1	33.4	0	0	0	111.8
244	G	73.3	Confident	86.2	Confident	63 Å²	63	48.6 Å²	48.6	65%	0.649	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.8	-14.1	177.8	0	0	0	0	0	115.1	P242 V246	P242-G244 PolarHBondContact O-N 2.94Å; G244-V246 PolarHBondContact O-N 3.16Å
245	D	80.1	Confident	86.2	Confident	35 Å²	35	47.3 Å²	47.3	19%	0.187	27%	0.265	C	S	.	.			trans	-79	87.6	168.4	-173.5	-12.3	0	0	0	110.7	F209 F247 R248 E249	F209-D245 WeakPolarHBondContact CB-OD2 3.34Å; D245-F247 VanDerWaalsContact C-N 3.27Å; D245-F247 PolarHBondContact O-N 3.42Å; D245-F247 PolarHBondContact OD1-N 3.31Å; D245-R248 HydrophobicContact CB-CB 4.13Å; D245-R248 VanDerWaalsContact CG-CB 3.46Å; D245-R248 PolarHBondContact O-N 3.24Å; D245-R248 PolarHBondContact OD1-N 2.89Å; D245-R248 VanDerWaalsContact OD1-N 3.11Å; D245-R248 WeakPolarHBondContact OD2-CB 3.41Å; D245-E249 WeakPolarHBondContact O-CB 3.44Å; D245-E249 PolarHBondContact O-N 2.73Å
246	V	86.1	Confident	86.2	Confident	36 Å²	36	50.5 Å²	50.5	22%	0.218	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-33.2	-174.9	-170.9	0	0	0	0	112.2	G244 W250 K453 Y455 I458	G244-V246 PolarHBondContact O-N 3.16Å; V246-W250 VanDerWaalsContact O-CB 3.23Å; V246-W250 WeakPolarHBondContact O-CB 3.35Å; V246-W250 PolarHBondContact O-N 3.27Å; V246-K453 WeakPolarHBondContact CB-O 3.5Å; V246-K453 WeakPolarHBondContact CG1-O 3.39Å; V246-K453 VanDerWaalsContact CG2-O 3.25Å; V246-K453 WeakPolarHBondContact CG2-O 3.37Å; V246-Y455 VanDerWaalsContact CG1-CA 3.45Å; V246-I458 HydrophobicContact CB-CD1 3.97Å; V246-I458 HydrophobicContact CG1-CD1 3.77Å
247	F	86.9	Confident	86.1	Confident	11 Å²	11	53.2 Å²	53.2	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-71.9	-44.5	-179.9	177.9	-121.9	0	0	0	111.1	F209 F215 M219 D245 E249 W250 L251 I458 I462	F209-F247 AromaticContact CD1-CD1 3.97Å; F209-F247 HydrophobicContact CD1-CD1 3.97Å; F209-F247 HydrophobicContact CD1-CE1 4.3Å; F209-F247 AromaticContact CE1-CD1 3.59Å; F209-F247 HydrophobicContact CE1-CD1 3.59Å; F209-F247 AromaticContact CE1-CE1 3.47Å; F209-F247 HydrophobicContact CE1-CE1 3.47Å; F209-F247 VanDerWaalsContact CE1-CE1 3.47Å; F209-F247 HydrophobicContact CZ-CD1 4.06Å; F209-F247 AromaticContact CZ-CE1 3.72Å; F209-F247 HydrophobicContact CZ-CE1 3.72Å; F215-F247 AromaticContact CD2-CD2 3.66Å; F215-F247 HydrophobicContact CD2-CD2 3.66Å; F215-F247 AromaticContact CD2-CE2 3.34Å; F215-F247 HydrophobicContact CD2-CE2 3.34Å; F215-F247 HydrophobicContact CD2-CG 4.48Å; F215-F247 AromaticContact CD2-CZ 3.89Å; F215-F247 HydrophobicContact CD2-CZ 3.89Å; F215-F247 HydrophobicContact CE2-CD2 4.25Å; F215-F247 AromaticContact CE2-CE2 3.47Å; F215-F247 HydrophobicContact CE2-CE2 3.47Å; F215-F247 VanDerWaalsContact CE2-CE2 3.47Å; F215-F247 AromaticContact CE2-CZ 3.88Å; F215-F247 HydrophobicContact CE2-CZ 3.88Å; M219-F247 HydrophobicContact CG-CZ 3.92Å; M219-F247 HydrophobicContact SD-CE1 4.18Å; M219-F247 HydrophobicContact SD-CE2 4.35Å; M219-F247 HydrophobicContact SD-CZ 3.45Å; M219-F247 WeakPolarHBondContact SD-CZ 3.22Å; D245-F247 VanDerWaalsContact C-N 3.27Å; D245-F247 PolarHBondContact O-N 3.42Å; D245-F247 PolarHBondContact OD1-N 3.31Å; F247-E249 VanDerWaalsContact C-N 3.34Å; F247-W250 HydrophobicContact CD2-CE3 4.45Å; F247-W250 HydrophobicContact CE2-CE3 4.05Å; F247-W250 PolarHBondContact O-N 2.58Å; F247-L251 WeakPolarHBondContact O-CB 3.39Å; F247-L251 PolarHBondContact O-N 3.49Å; F247-I458 HydrophobicContact CB-CD1 3.87Å; F247-I458 HydrophobicContact CD2-CD1 4.5Å; F247-I458 HydrophobicContact CD2-CG2 3.84Å; F247-I458 HydrophobicContact CE2-CG2 4.49Å; F247-I462 HydrophobicContact CE2-CD1 4.18Å
248	R	86.2	Confident	86.1	Confident	49 Å²	49	53.8 Å²	53.8	19%	0.185	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-40.3	176.9	-178.4	172.4	165.1	-101.7	-15	111.9	F209 V238 M239 N240 H241 D245 L251 H252	F209-R248 HydrophobicContact CD2-CB 4.18Å; F209-R248 HydrophobicContact CD2-CG 4.35Å; V238-R248 HydrophobicContact CG1-CG 4.31Å; M239-R248 PolarHBondContact O-NE 2.7Å; M239-R248 PolarHBondContact O-NH2 2.98Å; N240-R248 VanDerWaalsContact CA-NH2 3.35Å; N240-R248 PolarHBondContact OD1-NH1 3.02Å; N240-R248 VanDerWaalsContact OD1-NH1 3.09Å; N240-R248 PolarHBondContact OD1-NH2 3.14Å; H241-R248 PolarHBondContact O-NH1 3.37Å; D245-R248 HydrophobicContact CB-CB 4.13Å; D245-R248 VanDerWaalsContact CG-CB 3.46Å; D245-R248 PolarHBondContact O-N 3.24Å; D245-R248 PolarHBondContact OD1-N 2.89Å; D245-R248 VanDerWaalsContact OD1-N 3.11Å; D245-R248 WeakPolarHBondContact OD2-CB 3.41Å; R248-L251 PolarHBondContact O-N 3.25Å; R248-H252 WeakPolarHBondContact O-CB 3.27Å; R248-H252 PolarHBondContact O-N 3.15Å
249	E	88.3	Confident	86.4	Confident	91 Å²	91	53 Å²	53	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-48.5	172.6	-177.4	179.9	178.7	0	0	111	D245 F247 L251 H252 Q253 Y455	D245-E249 WeakPolarHBondContact O-CB 3.44Å; D245-E249 PolarHBondContact O-N 2.73Å; F247-E249 VanDerWaalsContact C-N 3.34Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-L251 PolarHBondContact O-N 3.37Å; E249-H252 PolarHBondContact O-N 2.99Å; E249-Q253 VanDerWaalsContact CG-NE2 3.26Å; E249-Q253 WeakPolarHBondContact O-CB 3.33Å; E249-Q253 WeakPolarHBondContact O-CG 3.37Å; E249-Q253 PolarHBondContact O-N 2.76Å; E249-Q253 PolarHBondContact OE1-NE2 3.36Å; E249-Y455 HydrophobicContact CG-CE2 4.43Å
250	W	92	Very high	86.7	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.4	-45.5	176.9	-178.9	92.5	0	0	0	111.8	V246 F247 Q253 N254 T255 L321 F327 Y455 I458 N459 I462	V246-W250 VanDerWaalsContact O-CB 3.23Å; V246-W250 WeakPolarHBondContact O-CB 3.35Å; V246-W250 PolarHBondContact O-N 3.27Å; F247-W250 HydrophobicContact CD2-CE3 4.45Å; F247-W250 HydrophobicContact CE2-CE3 4.05Å; F247-W250 PolarHBondContact O-N 2.58Å; W250-Q253 PolarHBondContact O-N 2.65Å; W250-N254 VanDerWaalsContact CD1-ND2 3.26Å; W250-N254 HydrophobicContact CD2-CB 4.28Å; W250-N254 HydrophobicContact CH2-CB 4Å; W250-N254 HydrophobicContact CZ2-CB 3.67Å; W250-N254 HydrophobicContact CZ3-CB 4.47Å; W250-N254 PolarHBondContact NE1-ND2 3.36Å; W250-N254 WeakPolarHBondContact O-CB 3.47Å; W250-N254 PolarHBondContact O-N 2.75Å; W250-N254 PolarHBondContact O-ND2 3.43Å; W250-T255 HydrophobicContact CH2-CG2 4.16Å; W250-T255 HydrophobicContact CZ3-CG2 3.98Å; W250-L321 HydrophobicContact CZ3-CD2 4.41Å; W250-F327 HydrophobicContact CH2-CD1 4.2Å; W250-F327 AromaticContact CH2-CE1 3.67Å; W250-F327 HydrophobicContact CH2-CE1 3.67Å; W250-F327 AromaticContact CH2-CZ 3.97Å; W250-F327 HydrophobicContact CH2-CZ 3.97Å; W250-F327 HydrophobicContact CZ2-CD1 4.02Å; W250-F327 HydrophobicContact CZ2-CD2 4.17Å; W250-F327 AromaticContact CZ2-CE1 3.54Å; W250-F327 HydrophobicContact CZ2-CE1 3.54Å; W250-F327 AromaticContact CZ2-CE2 3.74Å; W250-F327 HydrophobicContact CZ2-CE2 3.74Å; W250-F327 HydrophobicContact CZ2-CG 4.34Å; W250-F327 AromaticContact CZ2-CZ 3.43Å; W250-F327 HydrophobicContact CZ2-CZ 3.43Å; W250-F327 VanDerWaalsContact CZ2-CZ 3.43Å; W250-Y455 HydrophobicContact CB-CD2 4.1Å; W250-Y455 HydrophobicContact CB-CE2 3.95Å; W250-Y455 AromaticContact CD1-CE1 3.83Å; W250-Y455 AromaticContact CD1-CE2 4Å; W250-Y455 AromaticContact CD1-CZ 3.8Å; W250-Y455 HydrophobicContact CG-CE2 4.36Å; W250-I458 HydrophobicContact CB-CG2 3.96Å; W250-I458 HydrophobicContact CD2-CG2 3.85Å; W250-I458 HydrophobicContact CE3-CG2 4.33Å; W250-I458 HydrophobicContact CG-CB 4.43Å; W250-I458 HydrophobicContact CG-CG2 3.62Å; W250-N459 VanDerWaalsContact NE1-CA 3.34Å; W250-N459 PolarHBondContact NE1-OD1 2.74Å; W250-I462 HydrophobicContact CD2-CD1 3.68Å; W250-I462 HydrophobicContact CE3-CD1 3.35Å; W250-I462 HydrophobicContact CH2-CB 4.2Å; W250-I462 HydrophobicContact CH2-CD1 3.24Å; W250-I462 HydrophobicContact CH2-CG1 4.25Å; W250-I462 HydrophobicContact CH2-CG2 3.75Å; W250-I462 HydrophobicContact CZ2-CB 4.14Å; W250-I462 HydrophobicContact CZ2-CD1 3.5Å; W250-I462 HydrophobicContact CZ2-CG1 4.39Å; W250-I462 HydrophobicContact CZ2-CG2 4.06Å; W250-I462 HydrophobicContact CZ3-CD1 3.15Å; W250-I462 HydrophobicContact CZ3-CG1 4.48Å
251	L	91.8	Very high	87.6	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-52.2	179.3	-174.6	69.8	0	0	0	110.2	F209 L222 F247 R248 E249 Q253 N254 T255 I320	F209-L251 HydrophobicContact CZ-CD2 4.48Å; L222-L251 HydrophobicContact CD2-CD2 4.09Å; F247-L251 WeakPolarHBondContact O-CB 3.39Å; F247-L251 PolarHBondContact O-N 3.49Å; R248-L251 PolarHBondContact O-N 3.25Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-L251 PolarHBondContact O-N 3.37Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.38Å; L251-N254 PolarHBondContact O-N 3.23Å; L251-T255 HydrophobicContact CD1-CG2 3.84Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.16Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 PolarHBondContact O-OG1 2.91Å; L251-I320 HydrophobicContact CD1-CG2 3.97Å
252	H	90.2	Very high	88.9	Confident	134 Å²	134	55.9 Å²	55.9	62%	0.62	31%	0.307	S	S	*	.	H	α-helix	trans	-59.1	-38.8	-179.9	178.4	-98.1	0	0	0	113.3	R248 E249 R324	R248-H252 WeakPolarHBondContact O-CB 3.27Å; R248-H252 PolarHBondContact O-N 3.15Å; E249-H252 PolarHBondContact O-N 2.99Å; H252-R324 PolarHBondContact O-NH2 3.42Å
253	Q	93	Very high	90.2	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-80.5	-32.5	-177.2	-69.8	178.1	10.7	0	0	113.7	E249 W250 L251 R324 Y455	E249-Q253 VanDerWaalsContact CG-NE2 3.26Å; E249-Q253 WeakPolarHBondContact O-CB 3.33Å; E249-Q253 WeakPolarHBondContact O-CG 3.37Å; E249-Q253 PolarHBondContact O-N 2.76Å; E249-Q253 PolarHBondContact OE1-NE2 3.36Å; W250-Q253 PolarHBondContact O-N 2.65Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.38Å; Q253-R324 WeakPolarHBondContact O-CD 3.46Å; Q253-Y455 PolarHBondContact OE1-OH 2.93Å
254	N	95.9	Very high	91.1	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.08	27%	0.269	C	S	.	.	H	α-helix	trans	-106.9	-16.7	-170.4	-66.4	-77.5	0	0	0	114.7	W250 L251 R324 F327 Y455	W250-N254 VanDerWaalsContact CD1-ND2 3.26Å; W250-N254 HydrophobicContact CD2-CB 4.28Å; W250-N254 HydrophobicContact CH2-CB 4Å; W250-N254 HydrophobicContact CZ2-CB 3.67Å; W250-N254 HydrophobicContact CZ3-CB 4.47Å; W250-N254 PolarHBondContact NE1-ND2 3.36Å; W250-N254 WeakPolarHBondContact O-CB 3.47Å; W250-N254 PolarHBondContact O-N 2.75Å; W250-N254 PolarHBondContact O-ND2 3.43Å; L251-N254 PolarHBondContact O-N 3.23Å; N254-R324 PolarHBondContact O-N 2.92Å; N254-F327 HydrophobicContact CB-CB 4.01Å; N254-F327 HydrophobicContact CB-CD1 4.2Å; N254-F327 HydrophobicContact CB-CD2 4.48Å; N254-F327 HydrophobicContact CB-CG 3.98Å; N254-Y455 PolarHBondContact ND2-OH 3.34Å
255	T	96.4	Very high	92	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.031	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-112.8	162.1	177.9	74	0	0	0	0	112.1	W250 L251 R322 R324	W250-T255 HydrophobicContact CH2-CG2 4.16Å; W250-T255 HydrophobicContact CZ3-CG2 3.98Å; L251-T255 HydrophobicContact CD1-CG2 3.84Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.16Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 PolarHBondContact O-OG1 2.91Å; T255-R322 CarbonylContact C-O 3.6Å; T255-R322 WeakPolarHBondContact CA-O 3.31Å; T255-R322 WeakPolarHBondContact CB-O 3.42Å; T255-R324 PolarHBondContact O-NE 2.93Å
256	L	96.8	Very high	92.6	Very high	71 Å²	71	52.4 Å²	52.4	37%	0.372	27%	0.267	S	S	.	.			trans	-65.6	147.7	163.5	-61.5	-177.5	0	0	0	108.9	R322 R324	L256-R322 HydrophobicContact CB-CB 4.12Å; L256-R322 HydrophobicContact CD1-CB 4.05Å; L256-R322 HydrophobicContact CG-CB 4.18Å; L256-R322 PolarHBondContact N-O 2.79Å; L256-R324 HydrophobicContact CD2-CG 4.31Å
257	P	95	Very high	92.9	Very high	58 Å²	58	50.9 Å²	50.9	38%	0.377	26%	0.257	S	S	.	.			trans	-64.9	154.2	179	31.3	-37.2	0	0	0	110.7	S259 E260 R322	P257-S259 VanDerWaalsContact C-N 3.28Å; P257-S259 WeakPolarHBondContact CB-O 3.35Å; P257-S259 PolarHBondContact O-N 2.92Å; P257-E260 HydrophobicContact CG-CG 4.28Å; P257-R322 PolarHBondContact O-NH2 3.24Å
258	L	95.5	Very high	92.9	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.105	28%	0.281	C	S	.	.	S	Bend	trans	-64.4	-37.3	175.4	-61.7	178.5	0	0	0	111.3	Q194 L222 F226 L236 V238 Y319 I320	Q194-L258 VanDerWaalsContact CB-O 3.31Å; Q194-L258 WeakPolarHBondContact CB-O 3.4Å; L222-L258 HydrophobicContact CD1-CD1 4.31Å; F226-L258 HydrophobicContact CE1-CD2 4.47Å; L236-L258 HydrophobicContact CD2-CD1 3.83Å; L236-L258 HydrophobicContact CG-CD1 4.23Å; V238-L258 HydrophobicContact CG2-CD1 3.84Å; L258-Y319 HydrophobicContact CD2-CD1 4.44Å; L258-Y319 WeakPolarHBondContact O-CE1 3.46Å; L258-Y319 PolarHBondContact O-OH 3.34Å; L258-I320 HydrophobicContact CD2-CB 4.35Å; L258-I320 HydrophobicContact CD2-CG1 3.91Å
259	S	96.8	Very high	92.7	Very high	12 Å²	12	57.2 Å²	57.2	8%	0.084	32%	0.316	C	S	.	.			trans	-126.2	133.4	171.3	-177.7	0	0	0	0	109.5	Q194 P257 K261 C262	Q194-S259 WeakPolarHBondContact O-CB 3.04Å; Q194-S259 PolarHBondContact O-OG 3.22Å; P257-S259 VanDerWaalsContact C-N 3.28Å; P257-S259 WeakPolarHBondContact CB-O 3.35Å; P257-S259 PolarHBondContact O-N 2.92Å; S259-K261 PolarHBondContact OG-N 2.95Å; S259-C262 PolarHBondContact OG-N 3.2Å
260	E	95	Very high	92.8	Very high	131 Å²	131	56 Å²	56	61%	0.612	31%	0.308	S	S	*	.	S	Bend	trans	-82.6	-17.8	173.4	-65.3	168.9	-155.2	0	0	112	Q191 N195 P257	Q191-E260 PolarHBondContact NE2-OE1 3.23Å; N195-E260 WeakPolarHBondContact OD1-CB 3.3Å; N195-E260 PolarHBondContact OD1-N 3.24Å; P257-E260 HydrophobicContact CG-CG 4.28Å
261	K	95.6	Very high	92.6	Very high	119 Å²	119	62 Å²	62	52%	0.517	35%	0.35	S	S	.	.	S	Bend	trans	-109.3	-42.3	-173.3	-64.9	-178.8	-177.4	169.9	0	114	N195 P196 C199 S259	N195-K261 HydrophobicContact CB-CD 4.08Å; N195-K261 HydrophobicContact CB-CG 4.39Å; N195-K261 PolarHBondContact O-NZ 3.1Å; N195-K261 PolarHBondContact OD1-N 3.22Å; P196-K261 WeakPolarHBondContact O-CD 2.87Å; P196-K261 PolarHBondContact O-NZ 2.97Å; C199-K261 VanDerWaalsContact SG-C 3.54Å; C199-K261 PolarHBondContact SG-O 3.49Å; S259-K261 PolarHBondContact OG-N 2.95Å
262	C	95.6	Very high	92.5	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.061	36%	0.36	C	S	.	.			trans	-104.9	148.2	-173.4	-51.5	0	0	0	0	111.4	P196 C199 Y204 V235 I237 S259	P196-C262 VanDerWaalsContact CG-SG 3.54Å; C199-C262 HydrophobicContact CB-CB 4Å; C199-C262 WeakPolarHBondContact CB-SG 3.3Å; C199-C262 WeakPolarHBondContact SG-CA 3.48Å; C199-C262 WeakPolarHBondContact SG-CB 3.25Å; C199-C262 PolarHBondContact SG-N 2.98Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.07Å; Y204-C262 HydrophobicContact CE1-CB 4.12Å; V235-C262 HydrophobicContact CG1-CB 4.29Å; I237-C262 HydrophobicContact CD1-CB 4.09Å; S259-C262 PolarHBondContact OG-N 3.2Å
263	S	92.9	Very high	92.6	Very high	49 Å²	49	59.3 Å²	59.3	34%	0.343	34%	0.34	S	S	.	.			trans	-134.5	176	-174.1	74.1	0	0	0	0	111.2	V265 D266	S263-V265 PolarHBondContact O-N 3.03Å; S263-V265 PolarHBondContact OG-N 3.34Å; S263-D266 PolarHBondContact N-OD2 3.4Å; S263-D266 PolarHBondContact O-N 2.93Å; S263-D266 PolarHBondContact OG-OD2 2.95Å
264	H	90.6	Very high	92.5	Very high	60 Å²	60	57.8 Å²	57.8	28%	0.278	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.7	-25.3	173.2	67.9	-82.1	0	0	0	113.4	I237 D266 T267	I237-H264 HydrophobicContact CG2-CB 4.04Å; H264-D266 VanDerWaalsContact C-N 3.27Å; H264-D266 PolarHBondContact O-N 3.45Å; H264-T267 PolarHBondContact O-N 3.31Å; H264-T267 PolarHBondContact O-OG1 3.4Å
265	V	91.7	Very high	92.2	Very high	87 Å²	87	65.4 Å²	65.4	53%	0.527	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-64.5	-35.4	178.3	-177.1	0	0	0	0	111.1	S263 T267 N268	S263-V265 PolarHBondContact O-N 3.03Å; S263-V265 PolarHBondContact OG-N 3.34Å; V265-T267 PolarHBondContact O-N 3.29Å; V265-N268 PolarHBondContact O-N 2.78Å
266	D	92.8	Very high	91.9	Very high	50 Å²	50	65.4 Å²	65.4	27%	0.267	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-69.1	-14.8	-179.9	-55.2	-76.7	0	0	0	113.1	C199 Y204 S263 H264 R270	C199-D266 HydrophobicContact CB-CB 4.32Å; Y204-D266 HydrophobicContact CE2-CB 4.39Å; Y204-D266 VanDerWaalsContact OH-CB 3.31Å; Y204-D266 WeakPolarHBondContact OH-CB 3.47Å; S263-D266 PolarHBondContact N-OD2 3.4Å; S263-D266 PolarHBondContact O-N 2.93Å; S263-D266 PolarHBondContact OG-OD2 2.95Å; H264-D266 VanDerWaalsContact C-N 3.27Å; H264-D266 PolarHBondContact O-N 3.45Å; D266-R270 WeakPolarHBondContact O-CD 3.2Å
267	T	91.5	Very high	91.3	Very high	3 Å²	3	64 Å²	64	2%	0.018	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-91.6	-14.2	179.7	74	0	0	0	0	113	Y204 T206 I237 H264 V265 G269 R270 N273	Y204-T267 HydrophobicContact CD1-CG2 4Å; Y204-T267 HydrophobicContact CD2-CG2 4.18Å; Y204-T267 HydrophobicContact CE1-CG2 4.44Å; Y204-T267 HydrophobicContact CG-CG2 3.84Å; T206-T267 HydrophobicContact CG2-CG2 3.95Å; I237-T267 HydrophobicContact CB-CG2 3.89Å; I237-T267 HydrophobicContact CG1-CG2 3.86Å; I237-T267 HydrophobicContact CG2-CG2 3.81Å; H264-T267 PolarHBondContact O-N 3.31Å; H264-T267 PolarHBondContact O-OG1 3.4Å; V265-T267 PolarHBondContact O-N 3.29Å; T267-G269 PolarHBondContact O-N 3Å; T267-R270 PolarHBondContact O-N 1.98Å; T267-N273 PolarHBondContact O-ND2 2.91Å
268	N	87.1	Confident	90.4	Very high	103 Å²	103	63.8 Å²	63.8	55%	0.551	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	131.4	-172.6	-72.7	-19.2	0	0	0	112.2	V265 R270	V265-N268 PolarHBondContact O-N 2.78Å; N268-R270 PolarHBondContact O-N 2.73Å
269	G	82.5	Confident	89.3	Confident	90 Å²	90	64.2 Å²	64.2	93%	0.928	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	3.8	176.9	0	0	0	0	0	115.4	T267	T267-G269 PolarHBondContact O-N 3Å
270	R	89.4	Confident	87.8	Confident	65 Å²	65	72 Å²	72	25%	0.245	38%	0.38	C	S	.	.			trans	-86.2	120.8	-179.4	-68.3	-167	72.9	131.5	0.6	112.1	K200 A202 D266 T267 N268 D272 N273	K200-R270 PolarHBondContact O-NH1 3.01Å; A202-R270 PolarHBondContact O-NH1 3.38Å; A202-R270 PolarHBondContact O-NH2 3.06Å; D266-R270 WeakPolarHBondContact O-CD 3.2Å; T267-R270 PolarHBondContact O-N 1.98Å; N268-R270 PolarHBondContact O-N 2.73Å; R270-D272 VanDerWaalsContact C-N 3.34Å; R270-D272 WeakPolarHBondContact CB-OD1 3.47Å; R270-D272 IonicContact CZ-OD1 3.2Å; R270-D272 IonicContact CZ-OD2 3.73Å; R270-D272 IonicContact NE-OD1 3.32Å; R270-D272 PolarHBondContact NE-OD1 3.49Å; R270-D272 IonicContact NE-OD2 3Å; R270-D272 IonicContact NH2-OD1 2.78Å; R270-D272 IonicContact NH2-OD2 3.56Å; R270-D272 PolarHBondContact NH2-OD2 2.86Å; R270-N273 WeakPolarHBondContact CB-OD1 3.36Å; R270-N273 PolarHBondContact O-ND2 3.46Å
271	S	88.3	Confident	85.8	Confident	126 Å²	126	74.4 Å²	74.4	88%	0.881	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.7	177.7	56.8	0	0	0	0	113.5	N273	S271-N273 VanDerWaalsContact C-N 3.31Å
272	D	91	Very high	83.6	Confident	52 Å²	52	70.5 Å²	70.5	28%	0.278	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.5	-178.8	65	-38.6	0	0	0	113.5	R234 R270	R234-D272 PolarHBondContact NH1-O 3.44Å; R234-D272 PolarHBondContact NH2-O 3.42Å; R270-D272 VanDerWaalsContact C-N 3.34Å; R270-D272 WeakPolarHBondContact CB-OD1 3.47Å; R270-D272 IonicContact CZ-OD1 3.2Å; R270-D272 IonicContact CZ-OD2 3.73Å; R270-D272 IonicContact NE-OD1 3.32Å; R270-D272 PolarHBondContact NE-OD1 3.49Å; R270-D272 IonicContact NE-OD2 3Å; R270-D272 IonicContact NH2-OD1 2.78Å; R270-D272 IonicContact NH2-OD2 3.56Å; R270-D272 PolarHBondContact NH2-OD2 2.86Å
273	N	90.5	Very high	81.5	Confident	40 Å²	40	80 Å²	80	21%	0.214	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-64.6	131.3	177.9	-70.3	-13.7	0	0	0	111.8	T206 T267 R270 S271	T206-N273 HydrophobicContact CG2-CB 4.45Å; T267-N273 PolarHBondContact O-ND2 2.91Å; R270-N273 WeakPolarHBondContact CB-OD1 3.36Å; R270-N273 PolarHBondContact O-ND2 3.46Å; S271-N273 VanDerWaalsContact C-N 3.31Å
274	I	91.4	Very high	79.9	Confident	49 Å²	49	79 Å²	79	25%	0.251	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.4	168.3	-64.2	178.7	0	0	0	108	Y204 V205 T206 L228 R234	Y204-I274 PolarHBondContact O-N 3.43Å; V205-I274 CarbonylContact C-O 3.46Å; V205-I274 VanDerWaalsContact CA-O 3.24Å; V205-I274 WeakPolarHBondContact CA-O 3.29Å; V205-I274 HydrophobicContact CG2-CB 4.09Å; V205-I274 HydrophobicContact CG2-CG2 4.34Å; T206-I274 PolarHBondContact N-O 3.37Å; T206-I274 PolarHBondContact OG1-O 2.77Å; L228-I274 HydrophobicContact CD2-CG2 4.16Å; R234-I274 VanDerWaalsContact NE-CD1 3.33Å
275	R	90.3	Very high	78.4	Confident	175 Å²	175	78.3 Å²	78.3	66%	0.66	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.4	169.1	-172.2	177.8	-176.2	177.9	3.9	108.7
276	C	89.1	Confident	76.8	Confident	5 Å²	5	77 Å²	77	3%	0.034	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-60.4	126.8	179.5	179.7	0	0	0	0	110.8	V205 T206 F207 C225	V205-C276 HydrophobicContact CG1-CB 3.96Å; T206-C276 WeakPolarHBondContact O-CB 3.38Å; T206-C276 PolarHBondContact O-N 3.18Å; F207-C276 HydrophobicContact CB-CB 4.27Å; F207-C276 HydrophobicContact CD2-CB 4.23Å; C225-C276 WeakPolarHBondContact CA-SG 2.93Å; C225-C276 HydrophobicContact CB-CB 3.7Å; C225-C276 WeakPolarHBondContact CB-SG 3.17Å; C225-C276 WeakPolarHBondContact SG-CB 3.45Å; C225-C276 CovalentContact SG-SG 2.02Å; C225-C276 PolarHBondContact SG-SG 2.91Å
277	P	84.5	Confident	75.3	Confident	40 Å²	40	78.9 Å²	78.9	26%	0.26	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-75.6	148.3	177.8	29.9	-32.4	0	0	0	111.2	Q221 F224 I279	Q221-P277 PolarHBondContact NE2-O 3.23Å; F224-P277 HydrophobicContact CE1-CG 3.88Å; F224-P277 VanDerWaalsContact CE1-O 3.24Å; F224-P277 WeakPolarHBondContact CE1-O 3.47Å; F224-P277 HydrophobicContact CZ-CG 4.02Å; P277-I279 PolarHBondContact O-N 3.49Å
278	F	77.4	Confident	74	Confident	54 Å²	54	83.2 Å²	83.2	24%	0.237	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-75.1	125.3	171	-68.1	-73.8	0	0	0	110.3	F207 L212 Q221 R280 Y281 G282	F207-F278 HydrophobicContact CE2-CE1 4.01Å; L212-F278 HydrophobicContact CD1-CE1 4.07Å; L212-F278 HydrophobicContact CD2-CD1 3.54Å; L212-F278 HydrophobicContact CD2-CE1 3.37Å; L212-F278 HydrophobicContact CG-CD1 4.41Å; L212-F278 HydrophobicContact CG-CE1 3.74Å; Q221-F278 HydrophobicContact CG-CD1 4.19Å; F278-R280 PolarHBondContact O-N 2.94Å; F278-R280 VanDerWaalsContact O-N 3.12Å; F278-Y281 HydrophobicContact CB-CD2 3.83Å; F278-Y281 HydrophobicContact CG-CD2 4.43Å; F278-Y281 PolarHBondContact O-N 3.14Å; F278-Y281 VanDerWaalsContact O-N 3.09Å; F278-G282 PolarHBondContact O-N 3.14Å
279	I	71.5	Confident	72.9	Confident	30 Å²	30	79.1 Å²	79.1	15%	0.154	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.8	-178.7	-64.1	168.8	0	0	0	111.8	F224 P277 Y281 I284	F224-I279 HydrophobicContact CB-CD1 3.29Å; F224-I279 HydrophobicContact CB-CG1 4.01Å; F224-I279 HydrophobicContact CD1-CD1 3.91Å; F224-I279 HydrophobicContact CD1-CG1 3.59Å; F224-I279 HydrophobicContact CD2-CD1 3.69Å; F224-I279 HydrophobicContact CD2-CG1 3.73Å; F224-I279 HydrophobicContact CE1-CG1 3.95Å; F224-I279 HydrophobicContact CE2-CD1 4.46Å; F224-I279 HydrophobicContact CE2-CG1 4.03Å; F224-I279 HydrophobicContact CG-CD1 3.33Å; F224-I279 HydrophobicContact CG-CG1 3.47Å; F224-I279 VanDerWaalsContact CG-CG1 3.47Å; F224-I279 HydrophobicContact CZ-CG1 4.15Å; P277-I279 PolarHBondContact O-N 3.49Å; I279-Y281 VanDerWaalsContact C-N 3.28Å; I279-Y281 PolarHBondContact O-N 3.43Å; I279-I284 HydrophobicContact CB-CD1 4.06Å; I279-I284 HydrophobicContact CG1-CD1 3.88Å; I279-I284 HydrophobicContact CG2-CD1 4.11Å
280	R	64.5	Low	71.9	Confident	176 Å²	176	76.2 Å²	76.2	66%	0.664	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.6	-176.6	-159.7	175.5	-170.4	179.1	5.1	113.8	F278	F278-R280 PolarHBondContact O-N 2.94Å; F278-R280 VanDerWaalsContact O-N 3.12Å
281	Y	52.8	Low	70.8	Confident	181 Å²	181	73.6 Å²	73.6	71%	0.71	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-5	-167.6	-57.3	-61.4	0	0	0	114.7	F278 I279	F278-Y281 HydrophobicContact CB-CD2 3.83Å; F278-Y281 HydrophobicContact CG-CD2 4.43Å; F278-Y281 PolarHBondContact O-N 3.14Å; F278-Y281 VanDerWaalsContact O-N 3.09Å; I279-Y281 VanDerWaalsContact C-N 3.28Å; I279-Y281 PolarHBondContact O-N 3.43Å
282	G	49.9	Very low	69.7	Low	36 Å²	36	67.7 Å²	67.7	37%	0.371	32%	0.323	S	S	.	.			trans	-109.1	139.6	-173.8	0	0	0	0	0	114.2	F278 I284	F278-G282 PolarHBondContact O-N 3.14Å; G282-I284 PolarHBondContact O-N 2.89Å
283	H	52.8	Low	68.9	Low	209 Å²	209	65.3 Å²	65.3	97%	0.968	31%	0.31	S	S	*	.			trans	-64.8	86.8	148.6	-77.3	-77.7	0	0	0	107.6	A285	H283-A285 PolarHBondContact O-N 2.95Å
284	I	57.6	Low	68.2	Low	27 Å²	27	64 Å²	64	14%	0.138	30%	0.304	C	S	.	.			trans	-72.2	129	174	-64	165.8	0	0	0	107.3	F224 I279 G282 H286 W288 L289	F224-I284 HydrophobicContact CE1-CD1 4.36Å; F224-I284 HydrophobicContact CE2-CD1 3.75Å; F224-I284 HydrophobicContact CE2-CG2 4.14Å; F224-I284 HydrophobicContact CZ-CD1 3.55Å; F224-I284 HydrophobicContact CZ-CG1 4.1Å; F224-I284 HydrophobicContact CZ-CG2 4.09Å; I279-I284 HydrophobicContact CB-CD1 4.06Å; I279-I284 HydrophobicContact CG1-CD1 3.88Å; I279-I284 HydrophobicContact CG2-CD1 4.11Å; G282-I284 PolarHBondContact O-N 2.89Å; I284-H286 PolarHBondContact O-N 3.4Å; I284-W288 HydrophobicContact CG2-CB 3.79Å; I284-L289 HydrophobicContact CB-CD2 4.22Å; I284-L289 HydrophobicContact CG2-CD2 4.15Å
285	A	60.2	Low	67	Low	47 Å²	47	64.6 Å²	64.6	39%	0.388	31%	0.306	S	S	.	.			trans	-52.5	131.1	171.2	0	0	0	0	0	108.6	H283 N287 W288	H283-A285 PolarHBondContact O-N 2.95Å; A285-N287 PolarHBondContact O-N 3.12Å; A285-W288 HydrophobicContact CB-CD2 4.07Å; A285-W288 HydrophobicContact CB-CE3 4.06Å; A285-W288 HydrophobicContact CB-CG 4.5Å; A285-W288 HydrophobicContact CB-CZ3 4.44Å; A285-W288 PolarHBondContact O-N 3.15Å
286	H	57.8	Low	66.4	Low	60 Å²	60	59.9 Å²	59.9	28%	0.278	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-53.5	-28.2	-173	-162.2	65.2	0	0	0	112.9	I284 W288 L289 R518 N574	I284-H286 PolarHBondContact O-N 3.4Å; H286-W288 PolarHBondContact O-N 3.11Å; H286-L289 WeakPolarHBondContact ND1-CD1 3.5Å; H286-L289 PolarHBondContact O-N 3.38Å; H286-R518 PolarHBondContact CE1-O 3.08Å; H286-N574 PolarHBondContact CD2-ND2 2.68Å; H286-N574 PolarHBondContact NE2-ND2 3.45Å
287	N	61.6	Low	66	Low	89 Å²	89	60 Å²	60	48%	0.476	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-70.1	-9.3	177.3	-60.7	-1.7	0	0	0	114.6	A285 T576 F578	A285-N287 PolarHBondContact O-N 3.12Å; N287-T576 HydrophobicContact CB-CG2 3.98Å; N287-T576 WeakPolarHBondContact O-CG2 3.31Å; N287-F578 HydrophobicContact CB-CZ 4.28Å
288	W	63.2	Low	65.7	Low	93 Å²	93	58.5 Å²	58.5	35%	0.352	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-113.5	8.5	178.6	-56.3	-25	0	0	0	112.1	F224 L228 I284 A285 H286	F224-W288 WeakPolarHBondContact CE2-O 3.21Å; L228-W288 HydrophobicContact CD1-CB 4.34Å; L228-W288 HydrophobicContact CD1-CD2 3.83Å; L228-W288 HydrophobicContact CD1-CE3 4.19Å; L228-W288 HydrophobicContact CD1-CG 3.89Å; I284-W288 HydrophobicContact CG2-CB 3.79Å; A285-W288 HydrophobicContact CB-CD2 4.07Å; A285-W288 HydrophobicContact CB-CE3 4.06Å; A285-W288 HydrophobicContact CB-CG 4.5Å; A285-W288 HydrophobicContact CB-CZ3 4.44Å; A285-W288 PolarHBondContact O-N 3.15Å; H286-W288 PolarHBondContact O-N 3.11Å
289	L	65.7	Low	65.9	Low	17 Å²	17	59.9 Å²	59.9	9%	0.089	31%	0.306	C	S	.	.	S	Bend	trans	-68.3	147.6	179.5	-70.8	175.2	0	0	0	110.4	Q227 I284 H286 H291 V292 R518	Q227-L289 PolarHBondContact NE2-O 3.22Å; I284-L289 HydrophobicContact CB-CD2 4.22Å; I284-L289 HydrophobicContact CG2-CD2 4.15Å; H286-L289 WeakPolarHBondContact ND1-CD1 3.5Å; H286-L289 PolarHBondContact O-N 3.38Å; L289-H291 PolarHBondContact O-N 3.34Å; L289-V292 WeakPolarHBondContact O-CB 3.14Å; L289-V292 WeakPolarHBondContact O-CG2 3.04Å; L289-V292 PolarHBondContact O-N 3.37Å; L289-R518 HydrophobicContact CD1-CB 4.42Å
290	P	61.3	Low	66.7	Low	29 Å²	29	61 Å²	61	19%	0.188	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-13.2	179.4	-27.7	33	0	0	0	116.7	F224 Q227	F224-P290 HydrophobicContact CD2-CG 4.02Å; Q227-P290 PolarHBondContact OE1-O 2.96Å
291	H	65.3	Low	67.9	Low	10 Å²	10	52.7 Å²	52.7	5%	0.046	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.1	-177.2	-45.8	-46.2	0	0	0	113.7	L289 F309 D515 L519	L289-H291 PolarHBondContact O-N 3.34Å; H291-F309 AromaticContact ND1-CD2 3.5Å; H291-F309 AromaticContact ND1-CE2 3.65Å; H291-F309 AromaticContact ND1-CG 4Å; H291-D515 WeakPolarHBondContact CE1-CB 3.09Å; H291-D515 IonicContact CE1-OD1 3.9Å; H291-D515 PolarHBondContact CE1-OD1 2.83Å; H291-D515 IonicContact CE1-OD2 2.86Å; H291-D515 WeakPolarHBondContact NE2-CB 3.1Å; H291-D515 IonicContact NE2-OD1 2.84Å; H291-L519 HydrophobicContact CB-CD1 4.42Å; H291-L519 HydrophobicContact CB-CD2 3.58Å; H291-L519 HydrophobicContact CB-CG 4.33Å
292	V	66.4	Low	69.4	Low	3 Å²	3	47.8 Å²	47.8	2%	0.018	27%	0.265	C	S	.	.			trans	-76.1	132.6	173	171.4	0	0	0	0	109.1	Q227 E231 L289 T576	Q227-V292 PolarHBondContact NE2-O 2.81Å; E231-V292 WeakPolarHBondContact OE1-CG1 3.37Å; L289-V292 WeakPolarHBondContact O-CB 3.14Å; L289-V292 WeakPolarHBondContact O-CG2 3.04Å; L289-V292 PolarHBondContact O-N 3.37Å; V292-T576 HydrophobicContact CB-CG2 4.32Å; V292-T576 HydrophobicContact CG1-CG2 3.23Å; V292-T576 WeakPolarHBondContact CG1-OG1 3.41Å; V292-T576 HydrophobicContact CG2-CG2 4.17Å
293	L	73.8	Confident	71.2	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.1	178.3	-63.8	168.2	0	0	0	110.8	I295 N298 L301 P308 F309 F312 I573	L293-I295 PolarHBondContact O-N 3.09Å; L293-N298 HydrophobicContact CB-CB 4.49Å; L293-N298 WeakPolarHBondContact CD1-OD1 3.44Å; L293-L301 HydrophobicContact CD2-CD2 4.07Å; L293-P308 HydrophobicContact CD1-CB 3.39Å; L293-P308 HydrophobicContact CD1-CG 4.27Å; L293-P308 HydrophobicContact CD2-CB 4Å; L293-P308 HydrophobicContact CG-CB 4.3Å; L293-F309 HydrophobicContact CD2-CB 4.37Å; L293-F312 HydrophobicContact CD2-CB 4Å; L293-F312 HydrophobicContact CD2-CG 4.47Å; L293-I573 HydrophobicContact CD1-CG2 4.01Å
294	P	74.8	Confident	73	Confident	13 Å²	13	43.8 Å²	43.8	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	126.9	168.3	-23.4	34.1	0	0	0	111.4	F230 D296 M297 N298 F312	F230-P294 HydrophobicContact CD1-CG 4.24Å; F230-P294 HydrophobicContact CE1-CB 4.27Å; F230-P294 HydrophobicContact CE1-CG 3.66Å; P294-D296 WeakPolarHBondContact CB-OD1 3.36Å; P294-D296 PolarHBondContact O-N 2.66Å; P294-M297 PolarHBondContact O-N 3.27Å; P294-M297 VanDerWaalsContact O-N 3.09Å; P294-N298 PolarHBondContact O-N 3.34Å; P294-N298 VanDerWaalsContact O-N 3.13Å; P294-F312 HydrophobicContact CG-CD2 4.26Å; P294-F312 HydrophobicContact CG-CE2 3.59Å; P294-F312 HydrophobicContact CG-CZ 3.93Å
295	I	67.7	Low	74.6	Confident	60 Å²	60	42.7 Å²	42.7	31%	0.308	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-31	-173.7	-163.1	164.7	0	0	0	113.2	L293 M297 T576 W577	L293-I295 PolarHBondContact O-N 3.09Å; I295-M297 PolarHBondContact O-N 3.26Å; I295-T576 WeakPolarHBondContact CB-O 3.41Å; I295-W577 HydrophobicContact CD1-CD2 3.57Å; I295-W577 VanDerWaalsContact CD1-CE2 3.47Å; I295-W577 HydrophobicContact CD1-CE3 3.88Å; I295-W577 HydrophobicContact CD1-CG 4.08Å; I295-W577 HydrophobicContact CD1-CH2 4.03Å; I295-W577 HydrophobicContact CD1-CZ2 3.73Å; I295-W577 HydrophobicContact CD1-CZ3 4.1Å
296	D	77.1	Confident	75.7	Confident	77 Å²	77	46.2 Å²	46.2	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-70.4	-10.1	179.1	62.6	-18.5	0	0	0	113.7	R185 K189 P294	R185-D296 PolarHBondContact NH2-O 2.84Å; K189-D296 IonicContact NZ-OD1 2.99Å; K189-D296 IonicContact NZ-OD2 3.81Å; K189-D296 PolarHBondContact NZ-OD2 3.07Å; P294-D296 WeakPolarHBondContact CB-OD1 3.36Å; P294-D296 PolarHBondContact O-N 2.66Å
297	M	80.6	Confident	76.9	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-120.7	-19	179.3	-60.5	-178.1	-169.9	0	0	113.1	L182 L186 P294 I295 A299 E300 L301	L182-M297 HydrophobicContact CD2-CB 4.2Å; L182-M297 HydrophobicContact CD2-CG 4.2Å; L186-M297 HydrophobicContact CB-CE 3.86Å; L186-M297 HydrophobicContact CB-SD 3.89Å; L186-M297 HydrophobicContact CD1-CE 3.95Å; L186-M297 HydrophobicContact CD1-SD 4.06Å; L186-M297 HydrophobicContact CD2-SD 4.44Å; L186-M297 HydrophobicContact CG-CE 4.48Å; L186-M297 HydrophobicContact CG-SD 4.34Å; P294-M297 PolarHBondContact O-N 3.27Å; P294-M297 VanDerWaalsContact O-N 3.09Å; I295-M297 PolarHBondContact O-N 3.26Å; M297-A299 PolarHBondContact O-N 2.91Å; M297-E300 PolarHBondContact O-N 2.96Å; M297-L301 WeakPolarHBondContact O-CB 3.46Å; M297-L301 PolarHBondContact O-N 3.12Å
298	N	77.2	Confident	78.1	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-51.6	-168.5	-178.9	38.7	0	0	0	114.3	L293 P294 E300 L301 L302 M575	L293-N298 HydrophobicContact CB-CB 4.49Å; L293-N298 WeakPolarHBondContact CD1-OD1 3.44Å; P294-N298 PolarHBondContact O-N 3.34Å; P294-N298 VanDerWaalsContact O-N 3.13Å; N298-E300 VanDerWaalsContact C-N 3.25Å; N298-E300 PolarHBondContact O-N 3.36Å; N298-L301 PolarHBondContact O-N 3.42Å; N298-L302 VanDerWaalsContact O-CB 3.27Å; N298-L302 WeakPolarHBondContact O-CB 3.43Å; N298-L302 VanDerWaalsContact O-CG 3.27Å; N298-L302 WeakPolarHBondContact O-CG 3.39Å; N298-L302 PolarHBondContact O-N 3.4Å; N298-L302 WeakPolarHBondContact OD1-CD1 3.21Å; N298-L302 VanDerWaalsContact OD1-CG 3.26Å; N298-L302 WeakPolarHBondContact OD1-CG 3.15Å; N298-M575 WeakPolarHBondContact ND2-CG 3.31Å; N298-M575 PolarHBondContact ND2-SD 3.33Å
299	A	83.1	Confident	79.1	Confident	83 Å²	83	35.8 Å²	35.8	69%	0.686	19%	0.186	S	C	*	.	H	α-helix	trans	-63.5	-34	-176.3	0	0	0	0	0	112.7	M297	M297-A299 PolarHBondContact O-N 2.91Å
300	E	87.5	Confident	80.1	Confident	53 Å²	53	35 Å²	35	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-74.3	-47.1	176.3	-164.6	178.2	178.6	0	0	110.3	L182 R185 M297 N298 L302 R303 L304	L182-E300 HydrophobicContact CD1-CB 4.15Å; L182-E300 HydrophobicContact CD1-CG 3.85Å; L182-E300 HydrophobicContact CD2-CB 4.19Å; L182-E300 HydrophobicContact CD2-CG 4.17Å; L182-E300 VanDerWaalsContact CD2-OE2 3.26Å; L182-E300 WeakPolarHBondContact CD2-OE2 3.37Å; L182-E300 HydrophobicContact CG-CG 4.12Å; R185-E300 IonicContact CZ-OE2 3.19Å; R185-E300 IonicContact NH1-OE2 3.95Å; R185-E300 PolarHBondContact NH1-OE2 3.43Å; R185-E300 IonicContact NH2-OE2 4Å; M297-E300 PolarHBondContact O-N 2.96Å; N298-E300 VanDerWaalsContact C-N 3.25Å; N298-E300 PolarHBondContact O-N 3.36Å; E300-L302 PolarHBondContact O-N 3.39Å; E300-R303 WeakPolarHBondContact O-CB 3.21Å; E300-R303 PolarHBondContact O-N 2.93Å; E300-R303 VanDerWaalsContact O-N 3.1Å; E300-L304 HydrophobicContact CG-CD1 3.84Å; E300-L304 VanDerWaalsContact O-CG 3.23Å; E300-L304 WeakPolarHBondContact O-CG 3.44Å; E300-L304 PolarHBondContact O-N 3.19Å; E300-L304 VanDerWaalsContact O-N 3.17Å
301	L	88.9	Confident	81.6	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-41.4	-179.3	-171.7	58.8	0	0	0	112.3	L179 L182 L293 M297 N298 R303 L304 H305 P308 W311	L179-L301 HydrophobicContact CD2-CD1 3.85Å; L182-L301 HydrophobicContact CD1-CB 4.22Å; L182-L301 HydrophobicContact CD1-CD1 4.21Å; L293-L301 HydrophobicContact CD2-CD2 4.07Å; M297-L301 WeakPolarHBondContact O-CB 3.46Å; M297-L301 PolarHBondContact O-N 3.12Å; N298-L301 PolarHBondContact O-N 3.42Å; L301-R303 PolarHBondContact O-N 3.09Å; L301-L304 PolarHBondContact O-N 3.43Å; L301-H305 HydrophobicContact CD1-CB 3.78Å; L301-H305 HydrophobicContact CG-CB 4.4Å; L301-H305 PolarHBondContact O-N 3.45Å; L301-P308 HydrophobicContact CD2-CB 3.69Å; L301-P308 HydrophobicContact CG-CB 3.75Å; L301-P308 HydrophobicContact CG-CG 4.29Å; L301-W311 HydrophobicContact CD1-CB 4.34Å; L301-W311 HydrophobicContact CD1-CD2 3.6Å; L301-W311 HydrophobicContact CD1-CE3 3.67Å; L301-W311 HydrophobicContact CD1-CG 3.91Å; L301-W311 HydrophobicContact CD1-CZ3 4.24Å; L301-W311 HydrophobicContact CD2-CD2 4.27Å; L301-W311 HydrophobicContact CD2-CE3 3.54Å; L301-W311 HydrophobicContact CD2-CZ3 4.05Å; L301-W311 HydrophobicContact CG-CE3 4.28Å
302	L	85.3	Confident	82.9	Confident	78 Å²	78	33.3 Å²	33.3	41%	0.408	17%	0.171	S	C	.	.	H	α-helix	trans	-60.2	-26.8	173.4	-77.6	171.3	0	0	0	113.6	N298 E300 P308 I573	N298-L302 VanDerWaalsContact O-CB 3.27Å; N298-L302 WeakPolarHBondContact O-CB 3.43Å; N298-L302 VanDerWaalsContact O-CG 3.27Å; N298-L302 WeakPolarHBondContact O-CG 3.39Å; N298-L302 PolarHBondContact O-N 3.4Å; N298-L302 WeakPolarHBondContact OD1-CD1 3.21Å; N298-L302 VanDerWaalsContact OD1-CG 3.26Å; N298-L302 WeakPolarHBondContact OD1-CG 3.15Å; E300-L302 PolarHBondContact O-N 3.39Å; L302-P308 HydrophobicContact CD2-CG 3.84Å; L302-P308 HydrophobicContact CG-CG 4.43Å; L302-I573 HydrophobicContact CD2-CD1 3.4Å; L302-I573 HydrophobicContact CD2-CG2 4.45Å
303	R	87	Confident	84.1	Confident	156 Å²	156	33.9 Å²	33.9	59%	0.589	18%	0.176	S	C	*	.	H	α-helix	trans	-81.9	-27.2	176.7	-175.2	-178.1	65.4	116.2	0.2	111.7	E300 L301	E300-R303 WeakPolarHBondContact O-CB 3.21Å; E300-R303 PolarHBondContact O-N 2.93Å; E300-R303 VanDerWaalsContact O-N 3.1Å; L301-R303 PolarHBondContact O-N 3.09Å
304	L	91.4	Very high	85.1	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-107.5	-17.3	-169	-60.7	177.2	0	0	0	113.9	I174 R175 L179 L182 E300 L301	I174-L304 HydrophobicContact CG2-CD2 4.45Å; R175-L304 WeakPolarHBondContact CG-O 3.5Å; R175-L304 PolarHBondContact NH1-O 3.34Å; L179-L304 HydrophobicContact CD2-CB 3.69Å; L179-L304 HydrophobicContact CD2-CD1 4.45Å; L179-L304 HydrophobicContact CG-CB 3.93Å; L182-L304 HydrophobicContact CD1-CD1 3.83Å; E300-L304 HydrophobicContact CG-CD1 3.84Å; E300-L304 VanDerWaalsContact O-CG 3.23Å; E300-L304 WeakPolarHBondContact O-CG 3.44Å; E300-L304 PolarHBondContact O-N 3.19Å; E300-L304 VanDerWaalsContact O-N 3.17Å; L301-L304 PolarHBondContact O-N 3.43Å
305	H	90	Very high	86.1	Confident	5 Å²	5	33.2 Å²	33.2	2%	0.023	17%	0.172	C	C	.	.			trans	-139.6	132.4	-173.9	-152.4	-74.2	0	0	0	111.5	L179 L301 A307 P308 W311 Q491 D499 T501	L179-H305 HydrophobicContact CD2-CB 4.17Å; L301-H305 HydrophobicContact CD1-CB 3.78Å; L301-H305 HydrophobicContact CG-CB 4.4Å; L301-H305 PolarHBondContact O-N 3.45Å; H305-A307 VanDerWaalsContact ND1-C 3.29Å; H305-A307 PolarHBondContact ND1-N 3.09Å; H305-A307 VanDerWaalsContact ND1-N 3.13Å; H305-A307 PolarHBondContact ND1-O 3.04Å; H305-P308 WeakPolarHBondContact O-CD 3.18Å; H305-W311 AromaticContact CD2-CD1 3.43Å; H305-W311 VanDerWaalsContact CD2-CD1 3.43Å; H305-W311 AromaticContact CD2-CG 3.83Å; H305-W311 AromaticContact NE2-CD1 3.64Å; H305-Q491 PolarHBondContact CE1-OE1 3.13Å; H305-Q491 VanDerWaalsContact CE1-OE1 3.28Å; H305-Q491 PolarHBondContact NE2-OE1 3.25Å; H305-D499 WeakPolarHBondContact CA-OD2 3.38Å; H305-D499 IonicContact CD2-OD1 3.98Å; H305-D499 IonicContact CE1-OD1 3.18Å; H305-D499 PolarHBondContact CE1-OD1 3.09Å; H305-D499 IonicContact CG-OD1 3.41Å; H305-D499 IonicContact ND1-OD1 2.68Å; H305-D499 IonicContact NE2-OD1 3.28Å; H305-T501 PolarHBondContact CE1-OG1 2.94Å; H305-T501 PolarHBondContact ND1-OG1 3.31Å
306	E	83.9	Confident	87.4	Confident	121 Å²	121	30.4 Å²	30.4	57%	0.565	16%	0.157	S	C	*	.	S	Bend	trans	-69.9	-39.3	178.5	179.9	-175.7	170.1	0	0	112	P308 D499 T501 Q502	E306-P308 WeakPolarHBondContact O-CD 3.38Å; E306-D499 PolarHBondContact N-OD2 2.73Å; E306-T501 HydrophobicContact CB-CG2 3.92Å; E306-T501 HydrophobicContact CG-CG2 3.96Å; E306-Q502 PolarHBondContact OE1-NE2 3.36Å; E306-Q502 PolarHBondContact OE2-NE2 3.43Å
307	A	84	Confident	88.4	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.138	C	C	.	.	S	Bend	trans	-113.9	71.7	176.2	0	0	0	0	0	114.3	H305 F309 V310 W311 T501	H305-A307 VanDerWaalsContact ND1-C 3.29Å; H305-A307 PolarHBondContact ND1-N 3.09Å; H305-A307 VanDerWaalsContact ND1-N 3.13Å; H305-A307 PolarHBondContact ND1-O 3.04Å; A307-F309 VanDerWaalsContact C-N 3.32Å; A307-F309 PolarHBondContact O-N 2.99Å; A307-F309 VanDerWaalsContact O-N 3.16Å; A307-V310 HydrophobicContact CB-CB 4.13Å; A307-V310 HydrophobicContact CB-CG2 3.73Å; A307-V310 WeakPolarHBondContact O-CB 2.96Å; A307-V310 PolarHBondContact O-N 3.02Å; A307-V310 VanDerWaalsContact O-N 3.1Å; A307-W311 PolarHBondContact O-N 2.91Å; A307-T501 HydrophobicContact CB-CG2 3.64Å; A307-T501 PolarHBondContact N-OG1 2.91Å
308	P	86.2	Confident	89.2	Confident	2 Å²	2	28 Å²	28	1%	0.013	15%	0.147	C	C	.	.	H	α-helix	trans	-51.2	-39.1	-174.8	-33.8	37.9	0	0	0	116.6	L293 L301 L302 H305 E306 W311 F312	L293-P308 HydrophobicContact CD1-CB 3.39Å; L293-P308 HydrophobicContact CD1-CG 4.27Å; L293-P308 HydrophobicContact CD2-CB 4Å; L293-P308 HydrophobicContact CG-CB 4.3Å; L301-P308 HydrophobicContact CD2-CB 3.69Å; L301-P308 HydrophobicContact CG-CB 3.75Å; L301-P308 HydrophobicContact CG-CG 4.29Å; L302-P308 HydrophobicContact CD2-CG 3.84Å; L302-P308 HydrophobicContact CG-CG 4.43Å; H305-P308 WeakPolarHBondContact O-CD 3.18Å; E306-P308 WeakPolarHBondContact O-CD 3.38Å; P308-W311 WeakPolarHBondContact O-CB 3.36Å; P308-W311 PolarHBondContact O-N 3.24Å; P308-F312 PolarHBondContact O-N 2.75Å
309	F	83.3	Confident	90.2	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.088	15%	0.145	C	C	.	.	H	α-helix	trans	-74.8	-28.8	-177	57.2	-91.1	0	0	0	112.5	H291 L293 A307 F312 A313 F511 H512 D515 L519	H291-F309 AromaticContact ND1-CD2 3.5Å; H291-F309 AromaticContact ND1-CE2 3.65Å; H291-F309 AromaticContact ND1-CG 4Å; L293-F309 HydrophobicContact CD2-CB 4.37Å; A307-F309 VanDerWaalsContact C-N 3.32Å; A307-F309 PolarHBondContact O-N 2.99Å; A307-F309 VanDerWaalsContact O-N 3.16Å; F309-F312 PolarHBondContact O-N 2.91Å; F309-A313 WeakPolarHBondContact O-CB 3.4Å; F309-A313 PolarHBondContact O-N 3.24Å; F309-F511 HydrophobicContact CE2-CE1 4.37Å; F309-H512 AromaticContact CE1-CE1 3.7Å; F309-H512 AromaticContact CE1-ND1 3.88Å; F309-H512 AromaticContact CE2-CE1 3.42Å; F309-H512 VanDerWaalsContact CE2-CE1 3.42Å; F309-H512 WeakPolarHBondContact CE2-CE1 3.26Å; F309-H512 AromaticContact CE2-ND1 3.08Å; F309-H512 WeakPolarHBondContact CE2-ND1 3.01Å; F309-H512 HydrophobicContact CZ-CB 4.43Å; F309-H512 AromaticContact CZ-CE1 3.05Å; F309-H512 WeakPolarHBondContact CZ-CE1 3.35Å; F309-H512 AromaticContact CZ-CG 3.74Å; F309-H512 AromaticContact CZ-ND1 2.82Å; F309-H512 WeakPolarHBondContact CZ-ND1 3.16Å; F309-D515 HydrophobicContact CE2-CB 4.43Å; F309-L519 HydrophobicContact CZ-CD1 4.48Å
310	V	88.1	Confident	90.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-42	173.1	-171	0	0	0	0	109.5	A307 F312 A313 G314 Y487 E488 Q491 F511	A307-V310 HydrophobicContact CB-CB 4.13Å; A307-V310 HydrophobicContact CB-CG2 3.73Å; A307-V310 WeakPolarHBondContact O-CB 2.96Å; A307-V310 PolarHBondContact O-N 3.02Å; A307-V310 VanDerWaalsContact O-N 3.1Å; V310-F312 VanDerWaalsContact C-N 3.33Å; V310-F312 PolarHBondContact O-N 3.29Å; V310-A313 PolarHBondContact O-N 2.57Å; V310-G314 PolarHBondContact O-N 3.28Å; V310-Y487 HydrophobicContact CB-CE1 4.4Å; V310-Y487 HydrophobicContact CG1-CD1 3.69Å; V310-Y487 HydrophobicContact CG1-CE1 3.43Å; V310-Y487 VanDerWaalsContact CG1-CE1 3.43Å; V310-Y487 HydrophobicContact CG2-CE1 4.34Å; V310-E488 HydrophobicContact CG1-CG 4.04Å; V310-Q491 HydrophobicContact CB-CG 4.26Å; V310-Q491 HydrophobicContact CG1-CG 3.6Å; V310-F511 HydrophobicContact CB-CE1 4.22Å; V310-F511 HydrophobicContact CG1-CE1 3.98Å; V310-F511 HydrophobicContact CG1-CZ 3.96Å; V310-F511 HydrophobicContact CG2-CD1 3.63Å; V310-F511 HydrophobicContact CG2-CE1 3.3Å; V310-F511 HydrophobicContact CG2-CZ 4.12Å
311	W	92.6	Very high	91.3	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-56.8	-49.5	171.9	-178.4	89.6	0	0	0	111	L182 L186 L301 H305 A307 P308 A313 G314 Q315 Q491 H494	L182-W311 HydrophobicContact CB-CH2 3.98Å; L182-W311 HydrophobicContact CB-CZ2 4.1Å; L186-W311 HydrophobicContact CD2-CH2 4.06Å; L186-W311 HydrophobicContact CD2-CZ3 3.76Å; L301-W311 HydrophobicContact CD1-CB 4.34Å; L301-W311 HydrophobicContact CD1-CD2 3.6Å; L301-W311 HydrophobicContact CD1-CE3 3.67Å; L301-W311 HydrophobicContact CD1-CG 3.91Å; L301-W311 HydrophobicContact CD1-CZ3 4.24Å; L301-W311 HydrophobicContact CD2-CD2 4.27Å; L301-W311 HydrophobicContact CD2-CE3 3.54Å; L301-W311 HydrophobicContact CD2-CZ3 4.05Å; L301-W311 HydrophobicContact CG-CE3 4.28Å; H305-W311 AromaticContact CD2-CD1 3.43Å; H305-W311 VanDerWaalsContact CD2-CD1 3.43Å; H305-W311 AromaticContact CD2-CG 3.83Å; H305-W311 AromaticContact NE2-CD1 3.64Å; A307-W311 PolarHBondContact O-N 2.91Å; P308-W311 WeakPolarHBondContact O-CB 3.36Å; P308-W311 PolarHBondContact O-N 3.24Å; W311-A313 PolarHBondContact O-N 3.25Å; W311-G314 WeakPolarHBondContact O-CA 3.39Å; W311-G314 PolarHBondContact O-N 3.28Å; W311-G314 VanDerWaalsContact O-N 3.15Å; W311-Q315 HydrophobicContact CD2-CG 4.07Å; W311-Q315 HydrophobicContact CE3-CG 3.93Å; W311-Q315 HydrophobicContact CH2-CG 3.71Å; W311-Q315 HydrophobicContact CZ2-CG 3.85Å; W311-Q315 HydrophobicContact CZ3-CG 3.75Å; W311-Q315 WeakPolarHBondContact O-CG 3.33Å; W311-Q315 PolarHBondContact O-N 3.47Å; W311-Q491 HydrophobicContact CB-CB 4.45Å; W311-H494 AromaticContact CD1-CD2 3.83Å; W311-H494 AromaticContact CD1-NE2 3.63Å; W311-H494 AromaticContact CE2-NE2 3.66Å; W311-H494 AromaticContact NE1-CD2 3.17Å; W311-H494 PolarHBondContact NE1-CD2 2.94Å; W311-H494 AromaticContact NE1-CE1 3.88Å; W311-H494 AromaticContact NE1-NE2 2.8Å; W311-H494 PolarHBondContact NE1-NE2 3.09Å
312	F	91.8	Very high	91.7	Very high	2 Å²	2	24 Å²	24	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-45.9	179	-175.4	-106.9	0	0	0	112.3	L186 Q227 F230 L293 P294 P308 F309 V310 G314 Q315 L316	L186-F312 HydrophobicContact CD1-CE2 3.95Å; L186-F312 HydrophobicContact CD2-CD2 3.64Å; L186-F312 HydrophobicContact CD2-CE2 3.7Å; L186-F312 HydrophobicContact CG-CE2 4.48Å; Q227-F312 HydrophobicContact CB-CE1 4.31Å; Q227-F312 HydrophobicContact CG-CE1 3.92Å; F230-F312 HydrophobicContact CD1-CE2 4.45Å; F230-F312 AromaticContact CD1-CZ 3.98Å; F230-F312 HydrophobicContact CD1-CZ 3.98Å; F230-F312 HydrophobicContact CE1-CE2 4.34Å; F230-F312 HydrophobicContact CE1-CZ 4.31Å; L293-F312 HydrophobicContact CD2-CB 4Å; L293-F312 HydrophobicContact CD2-CG 4.47Å; P294-F312 HydrophobicContact CG-CD2 4.26Å; P294-F312 HydrophobicContact CG-CE2 3.59Å; P294-F312 HydrophobicContact CG-CZ 3.93Å; P308-F312 PolarHBondContact O-N 2.75Å; F309-F312 PolarHBondContact O-N 2.91Å; V310-F312 VanDerWaalsContact C-N 3.33Å; V310-F312 PolarHBondContact O-N 3.29Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 2.94Å; F312-Q315 WeakPolarHBondContact O-CB 3.47Å; F312-Q315 PolarHBondContact O-N 3.22Å; F312-L316 HydrophobicContact CD1-CD1 4.18Å; F312-L316 HydrophobicContact CE1-CD1 3.75Å; F312-L316 HydrophobicContact CE1-CG 4.23Å; F312-L316 HydrophobicContact CZ-CD1 4.32Å; F312-L316 HydrophobicContact CZ-CD2 4.28Å; F312-L316 HydrophobicContact CZ-CG 4.44Å; F312-L316 PolarHBondContact O-N 3.08Å; F312-L316 VanDerWaalsContact O-N 3.11Å
313	A	91.1	Very high	92.3	Very high	15 Å²	15	22.9 Å²	22.9	12%	0.124	11%	0.109	C	C	.	.	H	α-helix	trans	-56.7	-43.4	173.5	0	0	0	0	0	111.6	M223 F309 V310 W311 Q315 L316 A317 E488	M223-A313 HydrophobicContact CE-CB 3.68Å; M223-A313 WeakPolarHBondContact CE-O 3.37Å; F309-A313 WeakPolarHBondContact O-CB 3.4Å; F309-A313 PolarHBondContact O-N 3.24Å; V310-A313 PolarHBondContact O-N 2.57Å; W311-A313 PolarHBondContact O-N 3.25Å; A313-Q315 VanDerWaalsContact C-N 3.3Å; A313-Q315 PolarHBondContact O-N 3.12Å; A313-L316 PolarHBondContact O-N 3.45Å; A313-L316 VanDerWaalsContact O-N 3.16Å; A313-A317 WeakPolarHBondContact O-CB 3.49Å; A313-A317 PolarHBondContact O-N 3.12Å; A313-E488 HydrophobicContact CB-CG 4.12Å
314	G	95.3	Very high	92.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.1	-39.9	173.4	0	0	0	0	0	113.6	V310 W311 F312 A317 S318 E488 T492	V310-G314 PolarHBondContact O-N 3.28Å; W311-G314 WeakPolarHBondContact O-CA 3.39Å; W311-G314 PolarHBondContact O-N 3.28Å; W311-G314 VanDerWaalsContact O-N 3.15Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 2.94Å; G314-A317 PolarHBondContact O-N 3.17Å; G314-S318 WeakPolarHBondContact O-CB 3.42Å; G314-S318 PolarHBondContact O-N 2.83Å; G314-S318 PolarHBondContact O-OG 3.45Å; G314-E488 WeakPolarHBondContact CA-O 3.49Å; G314-T492 VanDerWaalsContact C-CG2 3.47Å; G314-T492 VanDerWaalsContact O-CG2 3.26Å; G314-T492 WeakPolarHBondContact O-CG2 3.34Å
315	Q	96.1	Very high	93.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-37.3	176.3	-61.6	-59.4	-46.3	0	0	112.7	S183 L186 Q187 W311 F312 A313 S318 Y319 H494	S183-Q315 PolarHBondContact OG-OE1 3.28Å; L186-Q315 HydrophobicContact CD2-CB 3.67Å; L186-Q315 HydrophobicContact CD2-CG 3.86Å; Q187-Q315 PolarHBondContact NE2-O 3.25Å; W311-Q315 HydrophobicContact CD2-CG 4.07Å; W311-Q315 HydrophobicContact CE3-CG 3.93Å; W311-Q315 HydrophobicContact CH2-CG 3.71Å; W311-Q315 HydrophobicContact CZ2-CG 3.85Å; W311-Q315 HydrophobicContact CZ3-CG 3.75Å; W311-Q315 WeakPolarHBondContact O-CG 3.33Å; W311-Q315 PolarHBondContact O-N 3.47Å; F312-Q315 WeakPolarHBondContact O-CB 3.47Å; F312-Q315 PolarHBondContact O-N 3.22Å; A313-Q315 VanDerWaalsContact C-N 3.3Å; A313-Q315 PolarHBondContact O-N 3.12Å; Q315-S318 PolarHBondContact O-OG 3.48Å; Q315-Y319 PolarHBondContact O-N 3.04Å; Q315-H494 PolarHBondContact NE2-CE1 2.79Å; Q315-H494 VanDerWaalsContact NE2-CE1 3.25Å; Q315-H494 PolarHBondContact NE2-NE2 2.92Å; Q315-H494 VanDerWaalsContact NE2-NE2 3.12Å
316	L	95.7	Very high	93.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-45.3	174	-61.3	179.1	0	0	0	110.9	I190 M223 F226 Q227 F312 A313 S318 Y319 I320	I190-L316 HydrophobicContact CD1-CD2 4Å; M223-L316 HydrophobicContact CG-CB 4.46Å; F226-L316 HydrophobicContact CD1-CB 4.4Å; F226-L316 HydrophobicContact CD1-CD2 4.12Å; F226-L316 HydrophobicContact CG-CD2 4.19Å; Q227-L316 HydrophobicContact CB-CD1 3.85Å; F312-L316 HydrophobicContact CD1-CD1 4.18Å; F312-L316 HydrophobicContact CE1-CD1 3.75Å; F312-L316 HydrophobicContact CE1-CG 4.23Å; F312-L316 HydrophobicContact CZ-CD1 4.32Å; F312-L316 HydrophobicContact CZ-CD2 4.28Å; F312-L316 HydrophobicContact CZ-CG 4.44Å; F312-L316 PolarHBondContact O-N 3.08Å; F312-L316 VanDerWaalsContact O-N 3.11Å; A313-L316 PolarHBondContact O-N 3.45Å; A313-L316 VanDerWaalsContact O-N 3.16Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-S318 PolarHBondContact O-N 3.09Å; L316-Y319 PolarHBondContact O-N 2.8Å; L316-I320 WeakPolarHBondContact O-CD1 3.42Å; L316-I320 VanDerWaalsContact O-CG1 3.32Å; L316-I320 WeakPolarHBondContact O-CG1 3.3Å; L316-I320 PolarHBondContact O-N 3.19Å
317	A	96.9	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-42.4	177.5	0	0	0	0	0	111.8	M223 A313 G314 I320 L321 L485 L489	M223-A317 HydrophobicContact CE-CB 4.04Å; M223-A317 HydrophobicContact SD-CB 3.88Å; A313-A317 WeakPolarHBondContact O-CB 3.49Å; A313-A317 PolarHBondContact O-N 3.12Å; G314-A317 PolarHBondContact O-N 3.17Å; A317-I320 PolarHBondContact O-N 3.11Å; A317-L321 WeakPolarHBondContact O-CB 3.48Å; A317-L321 WeakPolarHBondContact O-CG 3.47Å; A317-L321 PolarHBondContact O-N 2.79Å; A317-L485 HydrophobicContact CB-CD1 3.93Å; A317-L489 HydrophobicContact CB-CD2 3.71Å; A317-L489 HydrophobicContact CB-CG 4.16Å
318	S	97.5	Very high	94.6	Very high	32 Å²	32	27 Å²	27	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-35.3	178.6	67.9	0	0	0	0	113	Q187 G314 Q315 L316 R322	Q187-S318 PolarHBondContact NE2-OG 3.33Å; G314-S318 WeakPolarHBondContact O-CB 3.42Å; G314-S318 PolarHBondContact O-N 2.83Å; G314-S318 PolarHBondContact O-OG 3.45Å; Q315-S318 PolarHBondContact O-OG 3.48Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-S318 PolarHBondContact O-N 3.09Å; S318-R322 WeakPolarHBondContact O-CG 3.28Å; S318-R322 PolarHBondContact O-N 3.49Å
319	Y	98	Very high	95.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-41.8	174.4	-170	-82.8	0	0	0	111.9	I190 Q191 Q194 F226 L258 Q315 L316 R322	I190-Y319 HydrophobicContact CB-CD2 4.29Å; I190-Y319 HydrophobicContact CB-CE2 4.3Å; I190-Y319 HydrophobicContact CG2-CD1 3.99Å; I190-Y319 HydrophobicContact CG2-CD2 3.58Å; I190-Y319 HydrophobicContact CG2-CE1 3.93Å; I190-Y319 HydrophobicContact CG2-CE2 3.57Å; I190-Y319 HydrophobicContact CG2-CG 3.8Å; Q191-Y319 HydrophobicContact CB-CE2 4.27Å; Q191-Y319 PolarHBondContact OE1-OH 3.04Å; Q194-Y319 HydrophobicContact CG-CE1 4.33Å; F226-Y319 AromaticContact CE1-CD1 3.43Å; F226-Y319 HydrophobicContact CE1-CD1 3.43Å; F226-Y319 VanDerWaalsContact CE1-CD1 3.43Å; F226-Y319 HydrophobicContact CE1-CE1 4.15Å; F226-Y319 HydrophobicContact CE1-CG 4.02Å; F226-Y319 AromaticContact CZ-CD1 3.45Å; F226-Y319 HydrophobicContact CZ-CD1 3.45Å; F226-Y319 VanDerWaalsContact CZ-CD1 3.45Å; F226-Y319 AromaticContact CZ-CE1 3.73Å; F226-Y319 HydrophobicContact CZ-CE1 3.73Å; F226-Y319 HydrophobicContact CZ-CG 4.12Å; L258-Y319 HydrophobicContact CD2-CD1 4.44Å; L258-Y319 WeakPolarHBondContact O-CE1 3.46Å; L258-Y319 PolarHBondContact O-OH 3.34Å; Q315-Y319 PolarHBondContact O-N 3.04Å; L316-Y319 PolarHBondContact O-N 2.8Å; Y319-R322 WeakPolarHBondContact O-CG 3.32Å; Y319-R322 PolarHBondContact O-NE 3.27Å; Y319-R322 PolarHBondContact OH-NH2 3.02Å
320	I	97.2	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-44.8	176.9	-67.6	161.8	0	0	0	110.7	M219 L222 M223 F226 L251 L258 L316 A317 R322	M219-I320 HydrophobicContact CE-CB 4.33Å; M219-I320 HydrophobicContact CE-CD1 4.46Å; M219-I320 HydrophobicContact CE-CG2 3.78Å; M219-I320 HydrophobicContact SD-CG2 4.21Å; L222-I320 HydrophobicContact CD2-CB 4.48Å; L222-I320 HydrophobicContact CD2-CD1 3.82Å; L222-I320 HydrophobicContact CD2-CG1 4.08Å; L222-I320 HydrophobicContact CD2-CG2 3.55Å; L222-I320 HydrophobicContact CG-CD1 3.81Å; L222-I320 HydrophobicContact CG-CG1 4.43Å; M223-I320 HydrophobicContact CG-CD1 3.69Å; F226-I320 HydrophobicContact CD1-CD1 3.94Å; F226-I320 HydrophobicContact CD1-CG1 3.78Å; F226-I320 HydrophobicContact CE1-CG1 4.03Å; L251-I320 HydrophobicContact CD1-CG2 3.97Å; L258-I320 HydrophobicContact CD2-CB 4.35Å; L258-I320 HydrophobicContact CD2-CG1 3.91Å; L316-I320 WeakPolarHBondContact O-CD1 3.42Å; L316-I320 VanDerWaalsContact O-CG1 3.32Å; L316-I320 WeakPolarHBondContact O-CG1 3.3Å; L316-I320 PolarHBondContact O-N 3.19Å; A317-I320 PolarHBondContact O-N 3.11Å; I320-R322 VanDerWaalsContact C-N 3.31Å; I320-R322 PolarHBondContact O-N 2.73Å
321	L	97	Very high	96	Very high	13 Å²	13	37.1 Å²	37.1	7%	0.068	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	20	-171.8	-65.2	176.1	0	0	0	114.2	M219 W250 A317 P323 L489	M219-L321 HydrophobicContact CE-CD1 4Å; M219-L321 HydrophobicContact CE-CD2 3.92Å; M219-L321 HydrophobicContact CE-CG 3.83Å; M219-L321 HydrophobicContact SD-CD2 4.31Å; W250-L321 HydrophobicContact CZ3-CD2 4.41Å; A317-L321 WeakPolarHBondContact O-CB 3.48Å; A317-L321 WeakPolarHBondContact O-CG 3.47Å; A317-L321 PolarHBondContact O-N 2.79Å; L321-P323 WeakPolarHBondContact O-CD 3.38Å; L321-L489 HydrophobicContact CD1-CD1 3.93Å; L321-L489 HydrophobicContact CD1-CD2 4.38Å
322	R	97.6	Very high	96.2	Very high	48 Å²	48	41 Å²	41	18%	0.181	22%	0.215	C	C	.	.			trans	-57.8	108.3	174.8	-71.6	178.9	-62.7	167.5	6.2	109.6	T255 L256 P257 S318 Y319 I320	T255-R322 CarbonylContact C-O 3.6Å; T255-R322 WeakPolarHBondContact CA-O 3.31Å; T255-R322 WeakPolarHBondContact CB-O 3.42Å; L256-R322 HydrophobicContact CB-CB 4.12Å; L256-R322 HydrophobicContact CD1-CB 4.05Å; L256-R322 HydrophobicContact CG-CB 4.18Å; L256-R322 PolarHBondContact N-O 2.79Å; P257-R322 PolarHBondContact O-NH2 3.24Å; S318-R322 WeakPolarHBondContact O-CG 3.28Å; S318-R322 PolarHBondContact O-N 3.49Å; Y319-R322 WeakPolarHBondContact O-CG 3.32Å; Y319-R322 PolarHBondContact O-NE 3.27Å; Y319-R322 PolarHBondContact OH-NH2 3.02Å; I320-R322 VanDerWaalsContact C-N 3.31Å; I320-R322 PolarHBondContact O-N 2.73Å
323	P	97.5	Very high	96.3	Very high	55 Å²	55	44 Å²	44	36%	0.357	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-79.3	145.7	-167.8	32.3	-35.2	0	0	0	111.2	L321 F327 A328 I331	L321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-F327 HydrophobicContact CB-CB 4.49Å; P323-F327 HydrophobicContact CB-CD1 3.84Å; P323-A328 HydrophobicContact CB-CB 4.07Å; P323-A328 HydrophobicContact CG-CB 3.92Å; P323-I331 HydrophobicContact CB-CD1 4.1Å; P323-I331 HydrophobicContact CG-CD1 4.39Å
324	R	97.6	Very high	96.5	Very high	94 Å²	94	44.1 Å²	44.1	36%	0.355	24%	0.239	S	C	.	.			trans	-70.2	158.4	162.8	-65.8	-165.8	-171.5	-160.3	0.3	110.2	H252 Q253 N254 T255 L256 Q326 F327 A328	H252-R324 PolarHBondContact O-NH2 3.42Å; Q253-R324 WeakPolarHBondContact O-CD 3.46Å; N254-R324 PolarHBondContact O-N 2.92Å; T255-R324 PolarHBondContact O-NE 2.93Å; L256-R324 HydrophobicContact CD2-CG 4.31Å; R324-Q326 VanDerWaalsContact C-N 3.31Å; R324-Q326 PolarHBondContact O-N 3.5Å; R324-Q326 VanDerWaalsContact O-N 3.14Å; R324-F327 PolarHBondContact O-N 2.96Å; R324-F327 VanDerWaalsContact O-N 3.14Å; R324-A328 WeakPolarHBondContact O-CB 3.37Å; R324-A328 PolarHBondContact O-N 3.48Å
325	P	97.3	Very high	96.5	Very high	100 Å²	100	45.1 Å²	45.1	65%	0.649	24%	0.244	S	C	*	.	H	α-helix	trans	-52.5	-40.4	-174.2	-30.6	36.4	0	0	0	115.4	A328 Q329	P325-A328 PolarHBondContact O-N 3.36Å; P325-Q329 WeakPolarHBondContact O-CG 3.35Å; P325-Q329 PolarHBondContact O-N 3.42Å; P325-Q329 VanDerWaalsContact O-N 3.1Å
326	Q	95.8	Very high	96.5	Very high	157 Å²	157	52.4 Å²	52.4	73%	0.734	28%	0.276	S	S	*	.	H	α-helix	trans	-63.9	-48.4	179.4	-67.7	177.3	0.1	0	0	112	R324 A328 Q329 L330	R324-Q326 VanDerWaalsContact C-N 3.31Å; R324-Q326 PolarHBondContact O-N 3.5Å; R324-Q326 VanDerWaalsContact O-N 3.14Å; Q326-A328 VanDerWaalsContact C-N 3.34Å; Q326-A328 PolarHBondContact O-N 2.91Å; Q326-Q329 WeakPolarHBondContact O-CB 3.46Å; Q326-Q329 PolarHBondContact O-N 2.98Å; Q326-L330 PolarHBondContact O-N 3.19Å
327	F	96.4	Very high	96.3	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-36.9	177.9	-173.2	-122.5	0	0	0	111.8	W250 N254 P323 R324 Q329 L330 I331 N459 I462 I463 I466	W250-F327 HydrophobicContact CH2-CD1 4.2Å; W250-F327 AromaticContact CH2-CE1 3.67Å; W250-F327 HydrophobicContact CH2-CE1 3.67Å; W250-F327 AromaticContact CH2-CZ 3.97Å; W250-F327 HydrophobicContact CH2-CZ 3.97Å; W250-F327 HydrophobicContact CZ2-CD1 4.02Å; W250-F327 HydrophobicContact CZ2-CD2 4.17Å; W250-F327 AromaticContact CZ2-CE1 3.54Å; W250-F327 HydrophobicContact CZ2-CE1 3.54Å; W250-F327 AromaticContact CZ2-CE2 3.74Å; W250-F327 HydrophobicContact CZ2-CE2 3.74Å; W250-F327 HydrophobicContact CZ2-CG 4.34Å; W250-F327 AromaticContact CZ2-CZ 3.43Å; W250-F327 HydrophobicContact CZ2-CZ 3.43Å; W250-F327 VanDerWaalsContact CZ2-CZ 3.43Å; N254-F327 HydrophobicContact CB-CB 4.01Å; N254-F327 HydrophobicContact CB-CD1 4.2Å; N254-F327 HydrophobicContact CB-CD2 4.48Å; N254-F327 HydrophobicContact CB-CG 3.98Å; P323-F327 HydrophobicContact CB-CB 4.49Å; P323-F327 HydrophobicContact CB-CD1 3.84Å; R324-F327 PolarHBondContact O-N 2.96Å; R324-F327 VanDerWaalsContact O-N 3.14Å; F327-Q329 VanDerWaalsContact C-N 3.27Å; F327-Q329 PolarHBondContact O-N 3.08Å; F327-L330 HydrophobicContact CD2-CD1 4.35Å; F327-L330 WeakPolarHBondContact O-CB 3.46Å; F327-L330 PolarHBondContact O-N 2.93Å; F327-L330 VanDerWaalsContact O-N 3.12Å; F327-I331 HydrophobicContact CD1-CD1 3.68Å; F327-I331 HydrophobicContact CD1-CG1 4.41Å; F327-I331 HydrophobicContact CE1-CD1 3.45Å; F327-I331 VanDerWaalsContact CE1-CD1 3.45Å; F327-I331 HydrophobicContact CE1-CG1 4.03Å; F327-I331 HydrophobicContact CE2-CG1 4.45Å; F327-I331 HydrophobicContact CG-CD1 4.37Å; F327-I331 HydrophobicContact CZ-CD1 3.96Å; F327-I331 HydrophobicContact CZ-CG1 4Å; F327-I331 PolarHBondContact O-N 2.99Å; F327-N459 WeakPolarHBondContact CD2-OD1 3.25Å; F327-N459 WeakPolarHBondContact CE2-OD1 3.26Å; F327-I462 HydrophobicContact CE1-CG2 3.97Å; F327-I462 HydrophobicContact CZ-CB 4.22Å; F327-I462 HydrophobicContact CZ-CG2 3.73Å; F327-I463 HydrophobicContact CE2-CD1 4.04Å; F327-I463 HydrophobicContact CE2-CG1 3.67Å; F327-I463 HydrophobicContact CZ-CG1 3.92Å; F327-I466 HydrophobicContact CE1-CD1 4.26Å
328	A	97	Very high	96.1	Very high	23 Å²	23	55.4 Å²	55.4	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-36.1	174.4	0	0	0	0	0	112.7	P323 R324 P325 Q326 I331 N332	P323-A328 HydrophobicContact CB-CB 4.07Å; P323-A328 HydrophobicContact CG-CB 3.92Å; R324-A328 WeakPolarHBondContact O-CB 3.37Å; R324-A328 PolarHBondContact O-N 3.48Å; P325-A328 PolarHBondContact O-N 3.36Å; Q326-A328 VanDerWaalsContact C-N 3.34Å; Q326-A328 PolarHBondContact O-N 2.91Å; A328-I331 PolarHBondContact O-N 2.87Å; A328-N332 WeakPolarHBondContact O-CB 3.28Å; A328-N332 PolarHBondContact O-N 2.92Å; A328-N332 PolarHBondContact O-ND2 3.27Å
329	Q	96.7	Very high	95.7	Very high	135 Å²	135	57.2 Å²	57.2	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-41.6	174.9	-71.5	171.4	6.5	0	0	112.1	P325 Q326 F327 N332 A333	P325-Q329 WeakPolarHBondContact O-CG 3.35Å; P325-Q329 PolarHBondContact O-N 3.42Å; P325-Q329 VanDerWaalsContact O-N 3.1Å; Q326-Q329 WeakPolarHBondContact O-CB 3.46Å; Q326-Q329 PolarHBondContact O-N 2.98Å; F327-Q329 VanDerWaalsContact C-N 3.27Å; F327-Q329 PolarHBondContact O-N 3.08Å; Q329-N332 PolarHBondContact O-N 3.24Å; Q329-A333 WeakPolarHBondContact O-CB 3.3Å; Q329-A333 PolarHBondContact O-N 3.47Å
330	L	94.8	Very high	95.1	Very high	84 Å²	84	61.5 Å²	61.5	44%	0.44	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-42.4	177.2	-63.8	177.8	0	0	0	112.1	Q326 F327 A333 T334 I463	Q326-L330 PolarHBondContact O-N 3.19Å; F327-L330 HydrophobicContact CD2-CD1 4.35Å; F327-L330 WeakPolarHBondContact O-CB 3.46Å; F327-L330 PolarHBondContact O-N 2.93Å; F327-L330 VanDerWaalsContact O-N 3.12Å; L330-A333 PolarHBondContact O-N 3.1Å; L330-T334 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-OG1 2.8Å; L330-I463 HydrophobicContact CB-CD1 4.11Å
331	I	96.1	Very high	94.3	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.072	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-53.7	172.6	-67.5	161.8	0	0	0	109.5	P323 F327 A328 A333 T334 L335 I466	P323-I331 HydrophobicContact CB-CD1 4.1Å; P323-I331 HydrophobicContact CG-CD1 4.39Å; F327-I331 HydrophobicContact CD1-CD1 3.68Å; F327-I331 HydrophobicContact CD1-CG1 4.41Å; F327-I331 HydrophobicContact CE1-CD1 3.45Å; F327-I331 VanDerWaalsContact CE1-CD1 3.45Å; F327-I331 HydrophobicContact CE1-CG1 4.03Å; F327-I331 HydrophobicContact CE2-CG1 4.45Å; F327-I331 HydrophobicContact CG-CD1 4.37Å; F327-I331 HydrophobicContact CZ-CD1 3.96Å; F327-I331 HydrophobicContact CZ-CG1 4Å; F327-I331 PolarHBondContact O-N 2.99Å; A328-I331 PolarHBondContact O-N 2.87Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.38Å; I331-T334 WeakPolarHBondContact O-CB 3.48Å; I331-T334 PolarHBondContact O-N 3.35Å; I331-L335 HydrophobicContact CG2-CD1 3.79Å; I331-L335 HydrophobicContact CG2-CG 4.05Å; I331-L335 WeakPolarHBondContact O-CG 3.24Å; I331-L335 PolarHBondContact O-N 3.36Å; I331-I466 HydrophobicContact CD1-CD1 3.52Å; I331-I466 HydrophobicContact CG1-CD1 3.98Å; I331-I466 HydrophobicContact CG2-CG2 3.64Å
332	N	96.2	Very high	93.7	Very high	84 Å²	84	66.6 Å²	66.6	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-36.5	-176.8	-76.6	-25.9	0	0	0	112.8	A328 Q329 T334 L335 K336	A328-N332 WeakPolarHBondContact O-CB 3.28Å; A328-N332 PolarHBondContact O-N 2.92Å; A328-N332 PolarHBondContact O-ND2 3.27Å; Q329-N332 PolarHBondContact O-N 3.24Å; N332-T334 VanDerWaalsContact C-N 3.35Å; N332-L335 PolarHBondContact O-N 3.35Å; N332-K336 WeakPolarHBondContact O-CB 3.36Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.38Å; N332-K336 PolarHBondContact O-N 2.93Å
333	A	95.2	Very high	93.2	Very high	64 Å²	64	66.5 Å²	66.5	53%	0.529	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-43.7	173.9	0	0	0	0	0	111.6	Q329 L330 I331 S337	Q329-A333 WeakPolarHBondContact O-CB 3.3Å; Q329-A333 PolarHBondContact O-N 3.47Å; L330-A333 PolarHBondContact O-N 3.1Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.38Å; A333-S337 PolarHBondContact O-N 2.95Å
334	T	94.8	Very high	93	Very high	17 Å²	17	65 Å²	65	10%	0.104	38%	0.377	C	S	.	.	H	α-helix	trans	-65.6	-45.8	175.5	-61	0	0	0	0	111.3	L330 I331 N332 K336 S337 F338 Y416 R443 I463 A467	L330-T334 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-OG1 2.8Å; I331-T334 WeakPolarHBondContact O-CB 3.48Å; I331-T334 PolarHBondContact O-N 3.35Å; N332-T334 VanDerWaalsContact C-N 3.35Å; T334-K336 PolarHBondContact O-N 3.44Å; T334-S337 WeakPolarHBondContact O-CB 3.2Å; T334-S337 PolarHBondContact O-N 3Å; T334-S337 VanDerWaalsContact O-N 3.16Å; T334-S337 PolarHBondContact O-OG 3.45Å; T334-F338 WeakPolarHBondContact O-CD1 3.25Å; T334-Y416 HydrophobicContact CG2-CE2 4.01Å; T334-R443 PolarHBondContact OG1-NH1 3.12Å; T334-I463 HydrophobicContact CG2-CG2 3.94Å; T334-I463 VanDerWaalsContact OG1-CG2 3.31Å; T334-I463 WeakPolarHBondContact OG1-CG2 3.33Å; T334-A467 HydrophobicContact CG2-CB 3.93Å
335	L	95.8	Very high	92.9	Very high	21 Å²	21	60.6 Å²	60.6	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-41.2	-179.8	-64.6	-176.8	0	0	0	112.5	I331 N332 S337 F338 K339 A467 M470	I331-L335 HydrophobicContact CG2-CD1 3.79Å; I331-L335 HydrophobicContact CG2-CG 4.05Å; I331-L335 WeakPolarHBondContact O-CG 3.24Å; I331-L335 PolarHBondContact O-N 3.36Å; N332-L335 PolarHBondContact O-N 3.35Å; L335-S337 PolarHBondContact O-N 2.88Å; L335-F338 HydrophobicContact CD2-CE1 3.84Å; L335-F338 HydrophobicContact CD2-CZ 3.62Å; L335-F338 PolarHBondContact O-N 3.28Å; L335-K339 VanDerWaalsContact O-CB 3.3Å; L335-K339 WeakPolarHBondContact O-CB 3.49Å; L335-K339 WeakPolarHBondContact O-CG 3.34Å; L335-K339 PolarHBondContact O-N 3.09Å; L335-A467 HydrophobicContact CD2-CB 4.41Å; L335-M470 HydrophobicContact CD1-CE 4.35Å; L335-M470 HydrophobicContact CD1-CG 4.13Å; L335-M470 HydrophobicContact CD2-CB 3.54Å; L335-M470 HydrophobicContact CD2-CG 3.78Å
336	K	95	Very high	92.9	Very high	155 Å²	155	55.8 Å²	55.8	67%	0.674	33%	0.33	S	S	*	.	H	α-helix	trans	-58.3	-32.4	176.5	-77.9	178.2	-177.9	-176.4	0	112.3	N332 T334 F338 A340	N332-K336 WeakPolarHBondContact O-CB 3.36Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.38Å; N332-K336 PolarHBondContact O-N 2.93Å; T334-K336 PolarHBondContact O-N 3.44Å; K336-F338 VanDerWaalsContact C-N 3.29Å; K336-F338 PolarHBondContact O-N 3.36Å; K336-A340 WeakPolarHBondContact O-CB 3.06Å; K336-A340 PolarHBondContact O-N 2.94Å
337	S	92.2	Very high	93.1	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-36.8	-177.4	74.6	0	0	0	0	113.5	A333 T334 L335 Y438	A333-S337 PolarHBondContact O-N 2.95Å; T334-S337 WeakPolarHBondContact O-CB 3.2Å; T334-S337 PolarHBondContact O-N 3Å; T334-S337 VanDerWaalsContact O-N 3.16Å; T334-S337 PolarHBondContact O-OG 3.45Å; L335-S337 PolarHBondContact O-N 2.88Å; S337-Y438 WeakPolarHBondContact O-CE1 3.11Å
338	F	91.8	Very high	93.2	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-110.4	-28.7	-177.8	67.2	-95.2	0	0	0	113.7	T334 L335 K336 S341 V345 Y416 Y438 A467 M470 T471	T334-F338 WeakPolarHBondContact O-CD1 3.25Å; L335-F338 HydrophobicContact CD2-CE1 3.84Å; L335-F338 HydrophobicContact CD2-CZ 3.62Å; L335-F338 PolarHBondContact O-N 3.28Å; K336-F338 VanDerWaalsContact C-N 3.29Å; K336-F338 PolarHBondContact O-N 3.36Å; F338-S341 PolarHBondContact O-OG 3.04Å; F338-V345 HydrophobicContact CB-CG1 4.46Å; F338-V345 HydrophobicContact CB-CG2 4.3Å; F338-V345 HydrophobicContact CD2-CB 4.15Å; F338-V345 HydrophobicContact CD2-CG1 4.1Å; F338-V345 HydrophobicContact CD2-CG2 4.04Å; F338-Y416 AromaticContact CD1-CD2 3.64Å; F338-Y416 HydrophobicContact CD1-CD2 3.64Å; F338-Y416 HydrophobicContact CD1-CE2 4.08Å; F338-Y416 AromaticContact CE1-CD2 3.83Å; F338-Y416 HydrophobicContact CE1-CD2 3.83Å; F338-Y416 HydrophobicContact CE1-CE2 4.05Å; F338-Y416 HydrophobicContact CG-CD2 4.33Å; F338-Y438 HydrophobicContact CB-CD1 3.84Å; F338-Y438 HydrophobicContact CB-CD2 3.51Å; F338-Y438 HydrophobicContact CB-CE1 4.14Å; F338-Y438 HydrophobicContact CB-CE2 3.81Å; F338-Y438 HydrophobicContact CB-CG 3.51Å; F338-A467 HydrophobicContact CE1-CB 4.06Å; F338-A467 HydrophobicContact CZ-CB 4.43Å; F338-A467 WeakPolarHBondContact CZ-O 3.32Å; F338-M470 HydrophobicContact CZ-CB 4.31Å; F338-T471 HydrophobicContact CE2-CG2 4.17Å; F338-T471 HydrophobicContact CZ-CG2 4.43Å
339	K	89.4	Confident	93.2	Very high	70 Å²	70	47.6 Å²	47.6	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-76.2	-23.5	179.3	-68.2	-160.3	168.2	-161.3	0	114.3	L335 S341 G342 M470 E496	L335-K339 VanDerWaalsContact O-CB 3.3Å; L335-K339 WeakPolarHBondContact O-CB 3.49Å; L335-K339 WeakPolarHBondContact O-CG 3.34Å; L335-K339 PolarHBondContact O-N 3.09Å; K339-S341 PolarHBondContact O-N 3.34Å; K339-S341 VanDerWaalsContact O-N 3.09Å; K339-G342 PolarHBondContact O-N 3.1Å; K339-G342 VanDerWaalsContact O-N 3.11Å; K339-M470 WeakPolarHBondContact CE-O 3.46Å; K339-M470 PolarHBondContact NZ-O 3.47Å; K339-M470 VanDerWaalsContact NZ-O 3.17Å; K339-E496 IonicContact NZ-OE2 2.95Å
340	A	85.2	Confident	93.1	Very high	91 Å²	91	41.2 Å²	41.2	75%	0.752	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.3	-175.7	0	0	0	0	0	113.9	K336 G342	K336-A340 WeakPolarHBondContact O-CB 3.06Å; K336-A340 PolarHBondContact O-N 2.94Å; A340-G342 VanDerWaalsContact C-N 3.33Å
341	S	81.8	Confident	92.8	Very high	50 Å²	50	39 Å²	39	35%	0.35	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.5	-179.8	74.8	0	0	0	0	114.1	F338 K339 N343	F338-S341 PolarHBondContact O-OG 3.04Å; K339-S341 PolarHBondContact O-N 3.34Å; K339-S341 VanDerWaalsContact O-N 3.09Å; S341-N343 PolarHBondContact O-N 3.36Å; S341-N343 VanDerWaalsContact O-N 3.15Å; S341-N343 PolarHBondContact OG-N 3.28Å; S341-N343 PolarHBondContact OG-ND2 2.69Å
342	G	83.7	Confident	92.4	Very high	70 Å²	70	39.1 Å²	39.1	72%	0.722	24%	0.243	S	C	*	.			trans	66	1.2	-170.3	0	0	0	0	0	114.9	K339 A340	K339-G342 PolarHBondContact O-N 3.1Å; K339-G342 VanDerWaalsContact O-N 3.11Å; A340-G342 VanDerWaalsContact C-N 3.33Å
343	N	87.5	Confident	91.7	Very high	47 Å²	47	37 Å²	37	25%	0.251	23%	0.233	S	C	.	.	S	Bend	trans	-79.9	149.8	175.3	-63.3	-49.3	0	0	0	110.3	S341 V345	S341-N343 PolarHBondContact O-N 3.36Å; S341-N343 VanDerWaalsContact O-N 3.15Å; S341-N343 PolarHBondContact OG-N 3.28Å; S341-N343 PolarHBondContact OG-ND2 2.69Å; N343-V345 WeakPolarHBondContact O-CG2 3.29Å; N343-V345 PolarHBondContact O-N 2.88Å
344	P	92.6	Very high	90.9	Very high	23 Å²	23	35.6 Å²	35.6	15%	0.149	22%	0.216	C	C	.	.			trans	-62.4	131.6	174.3	22.6	-30.3	0	0	0	111.3	F375 F376 D472	P344-F375 HydrophobicContact CB-CE1 4.4Å; P344-F376 HydrophobicContact CB-CE1 4.39Å; P344-F376 HydrophobicContact CG-CE1 4.08Å; P344-D472 VanDerWaalsContact CA-OD2 3.26Å; P344-D472 WeakPolarHBondContact CA-OD2 3.39Å; P344-D472 HydrophobicContact CB-CB 4.38Å
345	V	95.8	Very high	89.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.6	179.1	-175.5	0	0	0	0	109.3	F338 N343 S414 Y438 T471 D472	F338-V345 HydrophobicContact CB-CG1 4.46Å; F338-V345 HydrophobicContact CB-CG2 4.3Å; F338-V345 HydrophobicContact CD2-CB 4.15Å; F338-V345 HydrophobicContact CD2-CG1 4.1Å; F338-V345 HydrophobicContact CD2-CG2 4.04Å; N343-V345 WeakPolarHBondContact O-CG2 3.29Å; N343-V345 PolarHBondContact O-N 2.88Å; V345-S414 WeakPolarHBondContact CA-O 3.2Å; V345-Y438 HydrophobicContact CG1-CD2 4.31Å; V345-Y438 HydrophobicContact CG2-CE2 4.37Å; V345-T471 HydrophobicContact CG1-CG2 4.37Å; V345-T471 WeakPolarHBondContact O-CB 3.46Å; V345-D472 PolarHBondContact N-OD2 3.36Å; V345-D472 PolarHBondContact O-N 3.03Å
346	V	97.9	Very high	88.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	173.5	-176.5	0	0	0	0	109.7	V348 V372 F375 F376 S414 V415 Y416 F473 V475	V346-V348 HydrophobicContact CG1-CG2 4.3Å; V346-V372 HydrophobicContact CB-CG1 4.05Å; V346-V372 HydrophobicContact CB-CG2 4.47Å; V346-V372 HydrophobicContact CG1-CB 4.46Å; V346-V372 HydrophobicContact CG1-CG1 4.26Å; V346-V372 HydrophobicContact CG1-CG2 3.86Å; V346-V372 HydrophobicContact CG2-CG1 4.05Å; V346-F375 HydrophobicContact CG2-CD1 3.2Å; V346-F375 HydrophobicContact CG2-CE1 3.41Å; V346-F375 VanDerWaalsContact CG2-CE1 3.41Å; V346-F375 HydrophobicContact CG2-CG 4.07Å; V346-F375 HydrophobicContact CG2-CZ 4.45Å; V346-F376 HydrophobicContact CG2-CD2 4.41Å; V346-F376 HydrophobicContact CG2-CE2 3.6Å; V346-F376 HydrophobicContact CG2-CZ 3.8Å; V346-S414 PolarHBondContact N-O 2.91Å; V346-V415 CarbonylContact O-C 3.56Å; V346-V415 VanDerWaalsContact O-CA 3.26Å; V346-V415 WeakPolarHBondContact O-CA 3.34Å; V346-Y416 PolarHBondContact O-N 3.33Å; V346-F473 CarbonylContact C-O 3.57Å; V346-F473 WeakPolarHBondContact CA-O 3.33Å; V346-F473 HydrophobicContact CG1-CB 4.32Å; V346-F473 HydrophobicContact CG1-CD1 4.15Å; V346-F473 WeakPolarHBondContact CG1-O 3.39Å; V346-F473 HydrophobicContact CG2-CB 4.29Å; V346-V475 HydrophobicContact CG1-CG2 3.79Å
347	G	98.3	Very high	87.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.4	169.8	0	0	0	0	0	110.4	Y416 T471 F473 L474 V475	G347-Y416 CarbonylContact C-O 3.58Å; G347-Y416 WeakPolarHBondContact CA-O 3.47Å; G347-T471 PolarHBondContact N-OG1 3.44Å; G347-F473 PolarHBondContact N-O 2.83Å; G347-L474 CarbonylContact O-C 3.54Å; G347-L474 WeakPolarHBondContact O-CA 3.36Å; G347-V475 PolarHBondContact O-N 3.25Å
348	V	98.4	Very high	86.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.4	177.2	176.1	0	0	0	0	108.5	V346 I350 Y368 V372 V415 Y416 L417 A418 V475	V346-V348 HydrophobicContact CG1-CG2 4.3Å; V348-I350 HydrophobicContact CG1-CD1 3.93Å; V348-I350 HydrophobicContact CG1-CG1 3.83Å; V348-Y368 HydrophobicContact CG1-CD1 4.2Å; V348-Y368 HydrophobicContact CG1-CG 4.28Å; V348-V372 HydrophobicContact CG2-CG2 3.59Å; V348-V415 HydrophobicContact CB-CG1 3.86Å; V348-V415 HydrophobicContact CG2-CG1 3.57Å; V348-V415 HydrophobicContact CG2-CG2 4.42Å; V348-Y416 PolarHBondContact N-O 2.92Å; V348-L417 HydrophobicContact CB-CD1 4.32Å; V348-L417 HydrophobicContact CG1-CD1 4.04Å; V348-L417 WeakPolarHBondContact O-CA 3.44Å; V348-A418 PolarHBondContact O-N 3.03Å; V348-V475 WeakPolarHBondContact CA-O 3.42Å; V348-V475 HydrophobicContact CG2-CB 4.42Å
349	H	97.6	Very high	84.8	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.1	177.3	175.9	-96.7	0	0	0	111.4	Y368 A418 L468 V475 C476 S480 I482	H349-Y368 WeakPolarHBondContact O-CE1 3.16Å; H349-A418 WeakPolarHBondContact CA-O 3.42Å; H349-L468 HydrophobicContact CB-CD1 3.82Å; H349-L468 HydrophobicContact CB-CD2 4.24Å; H349-V475 PolarHBondContact N-O 2.7Å; H349-C476 HydrophobicContact CB-CB 3.88Å; H349-S480 PolarHBondContact CE1-OG 3.06Å; H349-S480 VanDerWaalsContact CE1-OG 3.22Å; H349-I482 WeakPolarHBondContact NE2-CG2 3.15Å
350	I	95.3	Very high	83.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	108.3	-177.4	-60.4	179.6	0	0	0	108.9	V348 R352 L365 Y368 L417 A418 T419 V424	V348-I350 HydrophobicContact CG1-CD1 3.93Å; V348-I350 HydrophobicContact CG1-CG1 3.83Å; I350-R352 HydrophobicContact CG2-CG 3.99Å; I350-L365 HydrophobicContact CD1-CD1 3.54Å; I350-Y368 HydrophobicContact CB-CE2 4.45Å; I350-Y368 HydrophobicContact CD1-CD2 3.89Å; I350-Y368 HydrophobicContact CD1-CE2 4.16Å; I350-Y368 HydrophobicContact CD1-CG 4.17Å; I350-Y368 HydrophobicContact CG1-CD1 4.01Å; I350-Y368 HydrophobicContact CG1-CD2 3.88Å; I350-Y368 HydrophobicContact CG1-CE1 3.93Å; I350-Y368 HydrophobicContact CG1-CE2 3.79Å; I350-Y368 HydrophobicContact CG1-CG 4Å; I350-Y368 HydrophobicContact CG2-CE2 4.14Å; I350-L417 HydrophobicContact CD1-CD1 3.99Å; I350-L417 HydrophobicContact CG1-CD1 4.26Å; I350-A418 PolarHBondContact N-O 2.9Å; I350-T419 VanDerWaalsContact O-CA 3.28Å; I350-T419 WeakPolarHBondContact O-CA 3.23Å; I350-T419 VanDerWaalsContact O-CB 3.29Å; I350-T419 WeakPolarHBondContact O-CB 3.4Å; I350-T419 PolarHBondContact O-OG1 3.15Å; I350-V424 HydrophobicContact CD1-CG1 3.96Å
351	R	88.8	Confident	83.7	Confident	38 Å²	38	47.9 Å²	47.9	14%	0.143	25%	0.251	C	S	.	.			trans	-99.1	116.4	177.8	-173.2	64.6	171.1	85.4	8.2	110.6	T353 D354 K355 D420	R351-T353 PolarHBondContact NH1-OG1 3.18Å; R351-D354 IonicContact CZ-OD1 3.17Å; R351-D354 VanDerWaalsContact CZ-OD1 3.23Å; R351-D354 IonicContact NH1-OD1 3.51Å; R351-D354 PolarHBondContact NH1-OD1 3.29Å; R351-D354 IonicContact NH2-OD1 3.37Å; R351-D354 PolarHBondContact NH2-OD1 2.93Å; R351-D354 IonicContact NH2-OD2 3.74Å; R351-D354 PolarHBondContact NH2-OD2 2.78Å; R351-K355 HydrophobicContact CG-CB 3.65Å; R351-K355 HydrophobicContact CG-CD 4.22Å; R351-K355 HydrophobicContact CG-CG 3.74Å; R351-D420 WeakPolarHBondContact CA-OD1 3.41Å; R351-D420 IonicContact CZ-OD2 3.38Å; R351-D420 IonicContact NE-OD2 3.12Å; R351-D420 IonicContact NH1-OD2 2.56Å; R351-D420 PolarHBondContact NH1-OD2 2.56Å
352	R	86.5	Confident	83.9	Confident	17 Å²	17	50 Å²	50	6%	0.064	25%	0.254	C	S	.	.			trans	-119.2	-129	179.2	-68.1	-174.4	172	178.8	1.4	110.8	I350 D354 K355 I356 D420 D421	I350-R352 HydrophobicContact CG2-CG 3.99Å; R352-D354 PolarHBondContact O-N 2.89Å; R352-K355 VanDerWaalsContact O-CB 3.25Å; R352-K355 WeakPolarHBondContact O-CB 3.5Å; R352-K355 PolarHBondContact O-N 3.32Å; R352-I356 HydrophobicContact CB-CD1 3.49Å; R352-I356 VanDerWaalsContact CB-CD1 3.49Å; R352-I356 HydrophobicContact CB-CG1 4.39Å; R352-I356 HydrophobicContact CG-CD1 3.87Å; R352-D420 PolarHBondContact N-OD1 2.67Å; R352-D420 PolarHBondContact N-OD2 3.35Å; R352-D421 HydrophobicContact CB-CB 4.14Å; R352-D421 WeakPolarHBondContact CD-OD2 3.25Å; R352-D421 HydrophobicContact CG-CB 4.37Å; R352-D421 IonicContact CZ-OD2 3.59Å; R352-D421 IonicContact NE-OD2 2.65Å; R352-D421 IonicContact NH1-OD2 3.92Å; R352-D421 PolarHBondContact NH1-OD2 3.04Å
353	T	81.9	Confident	84.1	Confident	39 Å²	39	47.9 Å²	47.9	24%	0.239	23%	0.225	C	C	.	.	H	α-helix	trans	42.8	-126.4	179.4	69.5	0	0	0	0	114.3	R351 K355 I356 D420 R452	R351-T353 PolarHBondContact NH1-OG1 3.18Å; T353-K355 PolarHBondContact O-N 2.74Å; T353-I356 PolarHBondContact O-N 2.88Å; T353-D420 WeakPolarHBondContact CB-OD2 3.25Å; T353-D420 HydrophobicContact CG2-CB 4.31Å; T353-D420 WeakPolarHBondContact CG2-O 3.42Å; T353-D420 WeakPolarHBondContact CG2-OD2 3.22Å; T353-D420 PolarHBondContact OG1-OD2 2.93Å; T353-R452 PolarHBondContact OG1-NH2 3.32Å
354	D	78.4	Confident	84.2	Confident	34 Å²	34	49.3 Å²	49.3	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-26.7	179.5	61	-43.6	0	0	0	113.8	R351 R352 I356 I357 Y358 L449 R452	R351-D354 IonicContact CZ-OD1 3.17Å; R351-D354 VanDerWaalsContact CZ-OD1 3.23Å; R351-D354 IonicContact NH1-OD1 3.51Å; R351-D354 PolarHBondContact NH1-OD1 3.29Å; R351-D354 IonicContact NH2-OD1 3.37Å; R351-D354 PolarHBondContact NH2-OD1 2.93Å; R351-D354 IonicContact NH2-OD2 3.74Å; R351-D354 PolarHBondContact NH2-OD2 2.78Å; R352-D354 PolarHBondContact O-N 2.89Å; D354-I356 VanDerWaalsContact C-N 3.27Å; D354-I356 PolarHBondContact O-N 2.79Å; D354-I357 WeakPolarHBondContact O-CB 3.43Å; D354-I357 PolarHBondContact O-N 3.1Å; D354-Y358 HydrophobicContact CB-CD2 4.32Å; D354-Y358 WeakPolarHBondContact O-CD2 3.44Å; D354-Y358 PolarHBondContact O-N 2.89Å; D354-Y358 VanDerWaalsContact O-N 3.1Å; D354-L449 HydrophobicContact CB-CD1 4.23Å; D354-L449 HydrophobicContact CB-CD2 3.74Å; D354-R452 VanDerWaalsContact CG-NH1 3.27Å; D354-R452 IonicContact OD1-CZ 3.53Å; D354-R452 IonicContact OD1-NH1 2.8Å; D354-R452 PolarHBondContact OD1-NH1 2.97Å; D354-R452 IonicContact OD1-NH2 3.44Å; D354-R452 PolarHBondContact OD1-NH2 3.25Å; D354-R452 IonicContact OD2-NH1 3.79Å; D354-R452 PolarHBondContact OD2-NH1 2.87Å
355	K	72.4	Confident	84.3	Confident	12 Å²	12	48.2 Å²	48.2	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-38.6	-178.6	-164.1	82.6	-177.8	176.8	0	110.7	R351 R352 T353 I357 Y358 E359 A360 S479	R351-K355 HydrophobicContact CG-CB 3.65Å; R351-K355 HydrophobicContact CG-CD 4.22Å; R351-K355 HydrophobicContact CG-CG 3.74Å; R352-K355 VanDerWaalsContact O-CB 3.25Å; R352-K355 WeakPolarHBondContact O-CB 3.5Å; R352-K355 PolarHBondContact O-N 3.32Å; T353-K355 PolarHBondContact O-N 2.74Å; K355-I357 PolarHBondContact O-N 3.3Å; K355-Y358 PolarHBondContact O-N 3.26Å; K355-E359 HydrophobicContact CD-CB 3.73Å; K355-E359 WeakPolarHBondContact CD-OE2 3.33Å; K355-E359 WeakPolarHBondContact CE-OE2 3.42Å; K355-E359 HydrophobicContact CG-CB 4.24Å; K355-E359 IonicContact NZ-OE2 3.67Å; K355-E359 PolarHBondContact NZ-OE2 2.55Å; K355-E359 CarbonylContact O-C 3.59Å; K355-E359 PolarHBondContact O-N 3.05Å; K355-A360 HydrophobicContact CG-CB 3.69Å; K355-A360 PolarHBondContact O-N 3.49Å; K355-S479 WeakPolarHBondContact CE-O 3.35Å; K355-S479 PolarHBondContact NZ-O 3.49Å
356	I	71.3	Confident	84.2	Confident	60 Å²	60	51.6 Å²	51.6	31%	0.308	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-30.5	176.9	-60.2	156.7	0	0	0	111.3	R352 T353 D354 A360 F362	R352-I356 HydrophobicContact CB-CD1 3.49Å; R352-I356 VanDerWaalsContact CB-CD1 3.49Å; R352-I356 HydrophobicContact CB-CG1 4.39Å; R352-I356 HydrophobicContact CG-CD1 3.87Å; T353-I356 PolarHBondContact O-N 2.88Å; D354-I356 VanDerWaalsContact C-N 3.27Å; D354-I356 PolarHBondContact O-N 2.79Å; I356-A360 CarbonylContact C-O 3.55Å; I356-A360 WeakPolarHBondContact CA-O 3.42Å; I356-F362 HydrophobicContact CD1-CB 4.42Å; I356-F362 HydrophobicContact CD1-CD2 3.66Å; I356-F362 HydrophobicContact CG1-CB 4.33Å; I356-F362 HydrophobicContact CG1-CD2 4.42Å; I356-F362 HydrophobicContact CG2-CB 3.97Å
357	I	67.5	Low	84	Confident	118 Å²	118	55 Å²	55	61%	0.605	27%	0.266	S	S	*	.	H	α-helix	trans	-77.6	-40.2	-176.9	-60.3	172.1	0	0	0	110.7	D354 K355	D354-I357 WeakPolarHBondContact O-CB 3.43Å; D354-I357 PolarHBondContact O-N 3.1Å; K355-I357 PolarHBondContact O-N 3.3Å
358	Y	66.9	Low	84	Confident	186 Å²	186	55.2 Å²	55.2	73%	0.729	27%	0.266	S	S	*	.	H	α-helix	trans	-117.1	-27.5	-166.3	-61.7	-67.6	0	0	0	115.7	D354 K355	D354-Y358 HydrophobicContact CB-CD2 4.32Å; D354-Y358 WeakPolarHBondContact O-CD2 3.44Å; D354-Y358 PolarHBondContact O-N 2.89Å; D354-Y358 VanDerWaalsContact O-N 3.1Å; K355-Y358 PolarHBondContact O-N 3.26Å
359	E	64.1	Low	83.9	Confident	109 Å²	109	55.2 Å²	55.2	51%	0.509	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-21	-160.4	-64.7	-178.8	-173.5	0	0	115.1	K355	K355-E359 HydrophobicContact CD-CB 3.73Å; K355-E359 WeakPolarHBondContact CD-OE2 3.33Å; K355-E359 WeakPolarHBondContact CE-OE2 3.42Å; K355-E359 HydrophobicContact CG-CB 4.24Å; K355-E359 IonicContact NZ-OE2 3.67Å; K355-E359 PolarHBondContact NZ-OE2 2.55Å; K355-E359 CarbonylContact O-C 3.59Å; K355-E359 PolarHBondContact O-N 3.05Å
360	A	70.5	Confident	83.8	Confident	22 Å²	22	60.9 Å²	60.9	18%	0.182	29%	0.291	C	S	.	.			trans	-146.9	167.6	-175.8	0	0	0	0	0	112.5	K355 I356	K355-A360 HydrophobicContact CG-CB 3.69Å; K355-A360 PolarHBondContact O-N 3.49Å; I356-A360 CarbonylContact C-O 3.55Å; I356-A360 WeakPolarHBondContact CA-O 3.42Å
361	K	80	Confident	83.7	Confident	169 Å²	169	62.3 Å²	62.3	74%	0.735	30%	0.298	S	S	*	.			trans	-86.3	151.9	173.7	-66.4	178.4	-178.4	175.1	0	110.4	H363	K361-H363 PolarHBondContact O-CD2 3.21Å; K361-H363 VanDerWaalsContact O-CD2 3.25Å; K361-H363 PolarHBondContact O-N 3.31Å
362	F	86.2	Confident	84.1	Confident	95 Å²	95	60.5 Å²	60.5	42%	0.417	29%	0.291	S	S	.	.			trans	-67.8	130.8	166.2	179.9	-86.3	0	0	0	109.4	I356 N364	I356-F362 HydrophobicContact CD1-CB 4.42Å; I356-F362 HydrophobicContact CD1-CD2 3.66Å; I356-F362 HydrophobicContact CG1-CB 4.33Å; I356-F362 HydrophobicContact CG1-CD2 4.42Å; I356-F362 HydrophobicContact CG2-CB 3.97Å; F362-N364 WeakPolarHBondContact CE1-OD1 3.25Å
363	H	87.7	Confident	84.5	Confident	25 Å²	25	62 Å²	62	12%	0.116	30%	0.3	C	S	.	.			trans	-119.6	133.6	172.4	-70.4	-85	0	0	0	110	K361 E367 Y368 I507	K361-H363 PolarHBondContact O-CD2 3.21Å; K361-H363 VanDerWaalsContact O-CD2 3.25Å; K361-H363 PolarHBondContact O-N 3.31Å; H363-E367 IonicContact CE1-OE2 3.84Å; H363-E367 IonicContact CG-OE2 3.11Å; H363-E367 IonicContact ND1-OE2 3.92Å; H363-E367 PolarHBondContact ND1-OE2 3.03Å; H363-Y368 HydrophobicContact CB-CE2 3.65Å; H363-I507 HydrophobicContact CB-CD1 3.38Å
364	N	91.1	Very high	84.9	Confident	77 Å²	77	64.2 Å²	64.2	41%	0.412	31%	0.307	S	S	.	.			trans	-71.1	148.8	178.5	-90.8	-53.6	0	0	0	111.3	F362 S366 E367 Y368	F362-N364 WeakPolarHBondContact CE1-OD1 3.25Å; N364-S366 PolarHBondContact O-N 2.67Å; N364-S366 VanDerWaalsContact O-N 3.12Å; N364-E367 HydrophobicContact CB-CG 4.48Å; N364-E367 PolarHBondContact N-OE1 2.86Å; N364-E367 WeakPolarHBondContact O-CB 3.27Å; N364-E367 PolarHBondContact O-N 2.91Å; N364-Y368 WeakPolarHBondContact O-CD2 3.47Å
365	L	93.7	Very high	85.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-51.8	-38.1	175.8	173.3	60.7	0	0	0	111.7	I350 E367 Y368 M369 V424 Q427 F428	I350-L365 HydrophobicContact CD1-CD1 3.54Å; L365-E367 PolarHBondContact O-N 3.22Å; L365-Y368 PolarHBondContact O-N 3.37Å; L365-M369 HydrophobicContact CD1-CG 3.85Å; L365-M369 HydrophobicContact CD1-SD 4.43Å; L365-M369 HydrophobicContact CG-CG 4.07Å; L365-M369 WeakPolarHBondContact O-CG 3.32Å; L365-M369 PolarHBondContact O-N 3.14Å; L365-V424 HydrophobicContact CD1-CG1 4.24Å; L365-V424 HydrophobicContact CD2-CG1 4.4Å; L365-Q427 HydrophobicContact CD2-CG 4.39Å; L365-F428 HydrophobicContact CD1-CD2 3.92Å; L365-F428 HydrophobicContact CD1-CE2 4.31Å; L365-F428 HydrophobicContact CD2-CB 4.13Å; L365-F428 HydrophobicContact CD2-CD2 3.95Å; L365-F428 HydrophobicContact CD2-CG 4.37Å
366	S	94.3	Very high	86.6	Confident	71 Å²	71	63.7 Å²	63.7	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-29.8	177.2	56.8	0	0	0	0	114	N364 K370	N364-S366 PolarHBondContact O-N 2.67Å; N364-S366 VanDerWaalsContact O-N 3.12Å; S366-K370 WeakPolarHBondContact O-CB 3.48Å; S366-K370 PolarHBondContact O-N 2.79Å
367	E	94.2	Very high	87.5	Confident	73 Å²	73	64.6 Å²	64.6	34%	0.341	31%	0.308	S	S	.	.	H	α-helix	trans	-69	-42.5	177.6	-67.7	173.5	-121.6	0	0	111.3	H363 N364 L365 I507	H363-E367 IonicContact CE1-OE2 3.84Å; H363-E367 IonicContact CG-OE2 3.11Å; H363-E367 IonicContact ND1-OE2 3.92Å; H363-E367 PolarHBondContact ND1-OE2 3.03Å; N364-E367 HydrophobicContact CB-CG 4.48Å; N364-E367 PolarHBondContact N-OE1 2.86Å; N364-E367 WeakPolarHBondContact O-CB 3.27Å; N364-E367 PolarHBondContact O-N 2.91Å; L365-E367 PolarHBondContact O-N 3.22Å; E367-I507 HydrophobicContact CB-CD1 4.43Å
368	Y	97	Very high	88.4	Confident	3 Å²	3	63.8 Å²	63.8	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-50	172.7	-61.8	-95.3	0	0	0	110.1	V348 H349 I350 H363 N364 L365 K370 Q371 V372 V475 T477 I507	V348-Y368 HydrophobicContact CG1-CD1 4.2Å; V348-Y368 HydrophobicContact CG1-CG 4.28Å; H349-Y368 WeakPolarHBondContact O-CE1 3.16Å; I350-Y368 HydrophobicContact CB-CE2 4.45Å; I350-Y368 HydrophobicContact CD1-CD2 3.89Å; I350-Y368 HydrophobicContact CD1-CE2 4.16Å; I350-Y368 HydrophobicContact CD1-CG 4.17Å; I350-Y368 HydrophobicContact CG1-CD1 4.01Å; I350-Y368 HydrophobicContact CG1-CD2 3.88Å; I350-Y368 HydrophobicContact CG1-CE1 3.93Å; I350-Y368 HydrophobicContact CG1-CE2 3.79Å; I350-Y368 HydrophobicContact CG1-CG 4Å; I350-Y368 HydrophobicContact CG2-CE2 4.14Å; H363-Y368 HydrophobicContact CB-CE2 3.65Å; N364-Y368 WeakPolarHBondContact O-CD2 3.47Å; L365-Y368 PolarHBondContact O-N 3.37Å; Y368-K370 VanDerWaalsContact C-N 3.29Å; Y368-K370 PolarHBondContact O-N 3.14Å; Y368-Q371 WeakPolarHBondContact O-CB 3.48Å; Y368-Q371 PolarHBondContact O-N 3.01Å; Y368-V372 PolarHBondContact O-N 3.16Å; Y368-V372 VanDerWaalsContact O-N 3.15Å; Y368-V475 HydrophobicContact CD1-CG1 4.1Å; Y368-T477 HydrophobicContact CE1-CG2 4.48Å; Y368-I507 HydrophobicContact CD1-CD1 3.89Å; Y368-I507 HydrophobicContact CD2-CD1 3.9Å; Y368-I507 HydrophobicContact CE1-CD1 3.46Å; Y368-I507 VanDerWaalsContact CE1-CD1 3.46Å; Y368-I507 HydrophobicContact CE1-CG1 4.21Å; Y368-I507 HydrophobicContact CE2-CD1 3.49Å; Y368-I507 VanDerWaalsContact CE2-CD1 3.49Å; Y368-I507 HydrophobicContact CG-CD1 4.09Å
369	M	96.8	Very high	89.3	Confident	1 Å²	1	58 Å²	58	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-30.6	-175.7	-67.4	-54.3	-60.9	0	0	113.5	L365 Q371 V372 D373 V415 F428 H432 Y435	L365-M369 HydrophobicContact CD1-CG 3.85Å; L365-M369 HydrophobicContact CD1-SD 4.43Å; L365-M369 HydrophobicContact CG-CG 4.07Å; L365-M369 WeakPolarHBondContact O-CG 3.32Å; L365-M369 PolarHBondContact O-N 3.14Å; M369-Q371 PolarHBondContact O-N 3.47Å; M369-V372 HydrophobicContact CE-CB 4.07Å; M369-V372 HydrophobicContact CE-CG1 3.99Å; M369-V372 HydrophobicContact CE-CG2 4.31Å; M369-V372 WeakPolarHBondContact O-CB 3.14Å; M369-V372 PolarHBondContact O-N 3.1Å; M369-V372 VanDerWaalsContact O-N 3.11Å; M369-V372 HydrophobicContact SD-CB 4.23Å; M369-V372 HydrophobicContact SD-CG2 3.84Å; M369-D373 PolarHBondContact O-N 2.87Å; M369-V415 HydrophobicContact CE-CG2 4.08Å; M369-V415 HydrophobicContact SD-CG2 4.32Å; M369-F428 HydrophobicContact CE-CE2 4.05Å; M369-F428 HydrophobicContact CE-CZ 3.82Å; M369-F428 HydrophobicContact CG-CE2 4.42Å; M369-F428 HydrophobicContact SD-CE2 3.51Å; M369-F428 VanDerWaalsContact SD-CE2 3.51Å; M369-F428 HydrophobicContact SD-CZ 3.92Å; M369-H432 WeakPolarHBondContact CB-NE2 3.34Å; M369-H432 HydrophobicContact CE-CB 4.42Å; M369-H432 WeakPolarHBondContact CG-NE2 3.42Å; M369-Y435 HydrophobicContact CE-CD1 4.01Å; M369-Y435 HydrophobicContact CE-CD2 3.95Å; M369-Y435 HydrophobicContact CE-CE1 3.79Å; M369-Y435 HydrophobicContact CE-CE2 3.74Å; M369-Y435 HydrophobicContact CE-CG 4.07Å
370	K	94.4	Very high	90.4	Very high	128 Å²	128	55.1 Å²	55.1	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-56.1	-35.9	170.1	-178	178.3	-179	179.6	0	112.6	S366 Y368 K374	S366-K370 WeakPolarHBondContact O-CB 3.48Å; S366-K370 PolarHBondContact O-N 2.79Å; Y368-K370 VanDerWaalsContact C-N 3.29Å; Y368-K370 PolarHBondContact O-N 3.14Å; K370-K374 WeakPolarHBondContact O-CG 3.36Å; K370-K374 PolarHBondContact O-N 3.23Å
371	Q	95	Very high	91.1	Very high	31 Å²	31	54.9 Å²	54.9	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-81.1	-32.6	178.7	-48.8	-64.8	-8.9	0	0	111.4	Y368 M369 K374 F375 V475 H505 I507	Y368-Q371 WeakPolarHBondContact O-CB 3.48Å; Y368-Q371 PolarHBondContact O-N 3.01Å; M369-Q371 PolarHBondContact O-N 3.47Å; Q371-K374 PolarHBondContact O-N 3.07Å; Q371-K374 VanDerWaalsContact OE1-CD 3.29Å; Q371-F375 PolarHBondContact O-N 3.1Å; Q371-V475 HydrophobicContact CB-CG1 3.88Å; Q371-V475 HydrophobicContact CB-CG2 4.11Å; Q371-V475 HydrophobicContact CG-CG1 4.34Å; Q371-H505 VanDerWaalsContact CD-NE2 3.27Å; Q371-H505 VanDerWaalsContact CG-CD2 3.44Å; Q371-H505 WeakPolarHBondContact CG-CD2 3.33Å; Q371-H505 PolarHBondContact NE2-NE2 3.17Å; Q371-I507 HydrophobicContact CG-CG2 4.2Å
372	V	96.7	Very high	91.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-48.2	169.9	-179.2	0	0	0	0	110.5	V346 V348 Y368 M369 K374 F375 F376 V415 Y435 V475	V346-V372 HydrophobicContact CB-CG1 4.05Å; V346-V372 HydrophobicContact CB-CG2 4.47Å; V346-V372 HydrophobicContact CG1-CB 4.46Å; V346-V372 HydrophobicContact CG1-CG1 4.26Å; V346-V372 HydrophobicContact CG1-CG2 3.86Å; V346-V372 HydrophobicContact CG2-CG1 4.05Å; V348-V372 HydrophobicContact CG2-CG2 3.59Å; Y368-V372 PolarHBondContact O-N 3.16Å; Y368-V372 VanDerWaalsContact O-N 3.15Å; M369-V372 HydrophobicContact CE-CB 4.07Å; M369-V372 HydrophobicContact CE-CG1 3.99Å; M369-V372 HydrophobicContact CE-CG2 4.31Å; M369-V372 WeakPolarHBondContact O-CB 3.14Å; M369-V372 PolarHBondContact O-N 3.1Å; M369-V372 VanDerWaalsContact O-N 3.11Å; M369-V372 HydrophobicContact SD-CB 4.23Å; M369-V372 HydrophobicContact SD-CG2 3.84Å; V372-K374 PolarHBondContact O-N 2.61Å; V372-F375 WeakPolarHBondContact O-CB 3.49Å; V372-F375 PolarHBondContact O-N 3.48Å; V372-F375 VanDerWaalsContact O-N 3.16Å; V372-F376 HydrophobicContact CG1-CD2 3.91Å; V372-F376 HydrophobicContact CG1-CE2 3.64Å; V372-F376 VanDerWaalsContact O-CD2 3.28Å; V372-F376 WeakPolarHBondContact O-CD2 3.4Å; V372-F376 PolarHBondContact O-N 2.89Å; V372-F376 VanDerWaalsContact O-N 3.16Å; V372-V415 HydrophobicContact CG1-CG2 3.83Å; V372-Y435 HydrophobicContact CG1-CE1 3.56Å; V372-V475 HydrophobicContact CG2-CG2 4.11Å
373	D	94.3	Very high	91	Very high	48 Å²	48	47.2 Å²	47.2	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-58.1	-48.8	176.5	-76.1	-40.6	0	0	0	111.1	M369 F375 F376 D377 R413 Y435	M369-D373 PolarHBondContact O-N 2.87Å; D373-F375 PolarHBondContact O-N 2.89Å; D373-F376 PolarHBondContact O-N 2.96Å; D373-F376 VanDerWaalsContact O-N 3.13Å; D373-D377 WeakPolarHBondContact O-CB 3.05Å; D373-D377 PolarHBondContact O-N 3.34Å; D373-R413 IonicContact OD1-NH1 3.05Å; D373-R413 PolarHBondContact OD1-NH1 3.1Å; D373-Y435 PolarHBondContact OD1-OH 3.17Å
374	K	91	Very high	90.5	Very high	86 Å²	86	50.6 Å²	50.6	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-56	-37.9	176	-78	174	-179.8	178.7	0	113.1	K370 Q371 V372 R378	K370-K374 WeakPolarHBondContact O-CG 3.36Å; K370-K374 PolarHBondContact O-N 3.23Å; Q371-K374 PolarHBondContact O-N 3.07Å; Q371-K374 VanDerWaalsContact OE1-CD 3.29Å; V372-K374 PolarHBondContact O-N 2.61Å; K374-R378 VanDerWaalsContact O-CB 3.23Å; K374-R378 WeakPolarHBondContact O-CB 3.42Å; K374-R378 WeakPolarHBondContact O-CD 3.33Å; K374-R378 WeakPolarHBondContact O-CG 3.44Å; K374-R378 PolarHBondContact O-N 3.42Å
375	F	93.1	Very high	89.7	Confident	25 Å²	25	47.8 Å²	47.8	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-48.6	176.7	166.2	-100.3	0	0	0	111.6	P344 V346 Q371 V372 D373 R378 Q379 D472 F473	P344-F375 HydrophobicContact CB-CE1 4.4Å; V346-F375 HydrophobicContact CG2-CD1 3.2Å; V346-F375 HydrophobicContact CG2-CE1 3.41Å; V346-F375 VanDerWaalsContact CG2-CE1 3.41Å; V346-F375 HydrophobicContact CG2-CG 4.07Å; V346-F375 HydrophobicContact CG2-CZ 4.45Å; Q371-F375 PolarHBondContact O-N 3.1Å; V372-F375 WeakPolarHBondContact O-CB 3.49Å; V372-F375 PolarHBondContact O-N 3.48Å; V372-F375 VanDerWaalsContact O-N 3.16Å; D373-F375 PolarHBondContact O-N 2.89Å; F375-R378 WeakPolarHBondContact O-CB 3.44Å; F375-R378 PolarHBondContact O-N 2.98Å; F375-Q379 HydrophobicContact CE2-CG 4.34Å; F375-Q379 HydrophobicContact CZ-CG 4.34Å; F375-Q379 PolarHBondContact O-N 3.49Å; F375-D472 HydrophobicContact CZ-CB 4.2Å; F375-F473 HydrophobicContact CB-CD1 4.01Å; F375-F473 HydrophobicContact CB-CE1 4.3Å; F375-F473 HydrophobicContact CB-CG 4.4Å; F375-F473 HydrophobicContact CD1-CB 4.28Å; F375-F473 HydrophobicContact CD2-CB 3.61Å; F375-F473 AromaticContact CD2-CD1 4Å; F375-F473 HydrophobicContact CD2-CD1 4Å; F375-F473 AromaticContact CD2-CD2 3.72Å; F375-F473 HydrophobicContact CD2-CD2 3.72Å; F375-F473 HydrophobicContact CD2-CE2 4.38Å; F375-F473 AromaticContact CD2-CG 3.51Å; F375-F473 HydrophobicContact CD2-CG 3.51Å; F375-F473 HydrophobicContact CE1-CB 4.11Å; F375-F473 HydrophobicContact CE2-CB 3.48Å; F375-F473 VanDerWaalsContact CE2-CB 3.48Å; F375-F473 AromaticContact CE2-CD2 3.98Å; F375-F473 HydrophobicContact CE2-CD2 3.98Å; F375-F473 AromaticContact CE2-CG 3.84Å; F375-F473 HydrophobicContact CE2-CG 3.84Å; F375-F473 HydrophobicContact CG-CB 4Å; F375-F473 HydrophobicContact CG-CD1 4.05Å; F375-F473 AromaticContact CG-CG 3.97Å; F375-F473 HydrophobicContact CG-CG 3.97Å; F375-F473 HydrophobicContact CZ-CB 3.7Å
376	F	92.8	Very high	88.6	Confident	10 Å²	10	50.2 Å²	50.2	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-38.6	177.3	-74	-69.2	0	0	0	112.1	P344 V346 V372 D373 Q379 N380 R413 Y435	P344-F376 HydrophobicContact CB-CE1 4.39Å; P344-F376 HydrophobicContact CG-CE1 4.08Å; V346-F376 HydrophobicContact CG2-CD2 4.41Å; V346-F376 HydrophobicContact CG2-CE2 3.6Å; V346-F376 HydrophobicContact CG2-CZ 3.8Å; V372-F376 HydrophobicContact CG1-CD2 3.91Å; V372-F376 HydrophobicContact CG1-CE2 3.64Å; V372-F376 VanDerWaalsContact O-CD2 3.28Å; V372-F376 WeakPolarHBondContact O-CD2 3.4Å; V372-F376 PolarHBondContact O-N 2.89Å; V372-F376 VanDerWaalsContact O-N 3.16Å; D373-F376 PolarHBondContact O-N 2.96Å; D373-F376 VanDerWaalsContact O-N 3.13Å; F376-Q379 PolarHBondContact O-N 3.37Å; F376-N380 PolarHBondContact O-N 3.13Å; F376-N380 PolarHBondContact O-ND2 2.81Å; F376-R413 HydrophobicContact CB-CG 4.26Å; F376-R413 HydrophobicContact CD1-CB 4.39Å; F376-R413 HydrophobicContact CD1-CG 3.98Å; F376-R413 HydrophobicContact CD2-CB 3.98Å; F376-R413 HydrophobicContact CD2-CG 3.92Å; F376-R413 HydrophobicContact CE1-CB 4.25Å; F376-R413 HydrophobicContact CE1-CG 4.31Å; F376-R413 HydrophobicContact CE2-CB 3.86Å; F376-R413 HydrophobicContact CE2-CG 4.28Å; F376-R413 HydrophobicContact CG-CB 4.27Å; F376-R413 HydrophobicContact CG-CG 3.78Å; F376-R413 HydrophobicContact CZ-CB 4Å; F376-R413 HydrophobicContact CZ-CG 4.47Å; F376-Y435 HydrophobicContact CD2-CE1 4.05Å; F376-Y435 AromaticContact CE2-CE1 3.78Å; F376-Y435 HydrophobicContact CE2-CE1 3.78Å
377	D	89.4	Confident	87.2	Confident	78 Å²	78	48.3 Å²	48.3	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-41	176.2	-64.9	-18.2	0	0	0	111.4	D373 N380 A381 R413	D373-D377 WeakPolarHBondContact O-CB 3.05Å; D373-D377 PolarHBondContact O-N 3.34Å; D377-N380 PolarHBondContact O-N 2.84Å; D377-A381 WeakPolarHBondContact O-CB 3.48Å; D377-A381 PolarHBondContact O-N 3.35Å; D377-R413 IonicContact OD1-CZ 3.66Å; D377-R413 IonicContact OD1-NH1 2.71Å; D377-R413 IonicContact OD1-NH2 3.58Å; D377-R413 PolarHBondContact OD1-NH2 3.45Å
378	R	87.2	Confident	85.2	Confident	102 Å²	102	53.2 Å²	53.2	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-45.1	172.3	-83.4	164.6	-179.5	-145.8	-10.3	112.2	L156 E159 K374 F375 A381 S382	L156-R378 HydrophobicContact CD1-CB 4.35Å; L156-R378 HydrophobicContact CD1-CG 3.31Å; E159-R378 IonicContact OE1-NH2 3.2Å; E159-R378 IonicContact OE2-CZ 3.9Å; E159-R378 IonicContact OE2-NE 3.79Å; E159-R378 IonicContact OE2-NH1 2.79Å; E159-R378 PolarHBondContact OE2-NH1 3.4Å; E159-R378 IonicContact OE2-NH2 3.9Å; E159-R378 PolarHBondContact OE2-NH2 2.97Å; K374-R378 VanDerWaalsContact O-CB 3.23Å; K374-R378 WeakPolarHBondContact O-CB 3.42Å; K374-R378 WeakPolarHBondContact O-CD 3.33Å; K374-R378 WeakPolarHBondContact O-CG 3.44Å; K374-R378 PolarHBondContact O-N 3.42Å; F375-R378 WeakPolarHBondContact O-CB 3.44Å; F375-R378 PolarHBondContact O-N 2.98Å; R378-A381 PolarHBondContact O-N 3.4Å; R378-S382 VanDerWaalsContact O-CB 3.29Å; R378-S382 WeakPolarHBondContact O-CB 3.38Å; R378-S382 PolarHBondContact O-N 2.8Å
379	Q	86.4	Confident	82.9	Confident	63 Å²	63	59.1 Å²	59.1	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-46.5	176.6	-77.8	-164.4	71.5	0	0	111.5	F375 F376 S382 L383	F375-Q379 HydrophobicContact CE2-CG 4.34Å; F375-Q379 HydrophobicContact CZ-CG 4.34Å; F375-Q379 PolarHBondContact O-N 3.49Å; F376-Q379 PolarHBondContact O-N 3.37Å; Q379-S382 WeakPolarHBondContact O-CB 3.26Å; Q379-S382 PolarHBondContact O-N 2.81Å; Q379-L383 WeakPolarHBondContact O-CG 3.38Å; Q379-L383 PolarHBondContact O-N 2.9Å
380	N	86.1	Confident	80.2	Confident	50 Å²	50	63.3 Å²	63.3	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-46.5	176.8	-70.8	-18.1	0	0	0	111.8	F376 D377 S382 L383 L384	F376-N380 PolarHBondContact O-N 3.13Å; F376-N380 PolarHBondContact O-ND2 2.81Å; D377-N380 PolarHBondContact O-N 2.84Å; N380-S382 VanDerWaalsContact C-N 3.32Å; N380-S382 PolarHBondContact O-N 3.25Å; N380-L383 PolarHBondContact O-N 2.95Å; N380-L384 WeakPolarHBondContact O-CG 3.21Å; N380-L384 PolarHBondContact O-N 2.87Å
381	A	85.6	Confident	77.7	Confident	17 Å²	17	62.6 Å²	62.6	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-38.6	177	0	0	0	0	0	112.2	L156 I160 D377 R378 L384 T385	L156-A381 HydrophobicContact CD2-CB 4.41Å; I160-A381 HydrophobicContact CD1-CB 3.75Å; D377-A381 WeakPolarHBondContact O-CB 3.48Å; D377-A381 PolarHBondContact O-N 3.35Å; R378-A381 PolarHBondContact O-N 3.4Å; A381-L384 PolarHBondContact O-N 3.04Å; A381-T385 VanDerWaalsContact O-CB 3.29Å; A381-T385 WeakPolarHBondContact O-CB 3.39Å; A381-T385 PolarHBondContact O-N 3.43Å; A381-T385 PolarHBondContact O-OG1 3.35Å
382	S	83.9	Confident	75.1	Confident	42 Å²	42	68.7 Å²	68.7	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.5	-176.5	0	0	0	0	111.4	R378 Q379 N380 L384 T385 M386	R378-S382 VanDerWaalsContact O-CB 3.29Å; R378-S382 WeakPolarHBondContact O-CB 3.38Å; R378-S382 PolarHBondContact O-N 2.8Å; Q379-S382 WeakPolarHBondContact O-CB 3.26Å; Q379-S382 PolarHBondContact O-N 2.81Å; N380-S382 VanDerWaalsContact C-N 3.32Å; N380-S382 PolarHBondContact O-N 3.25Å; S382-L384 PolarHBondContact O-N 3.19Å; S382-T385 PolarHBondContact O-N 3.22Å; S382-M386 WeakPolarHBondContact O-CB 3.39Å; S382-M386 VanDerWaalsContact O-CG 3.25Å; S382-M386 WeakPolarHBondContact O-CG 3.19Å; S382-M386 PolarHBondContact O-N 2.96Å
383	L	79.4	Confident	72.3	Confident	60 Å²	60	74.1 Å²	74.1	31%	0.314	36%	0.362	S	S	.	.	H	α-helix	trans	-57	-47	176.1	-71.3	168.2	0	0	0	111.7	Q379 N380 M386 S387 N408	Q379-L383 WeakPolarHBondContact O-CG 3.38Å; Q379-L383 PolarHBondContact O-N 2.9Å; N380-L383 PolarHBondContact O-N 2.95Å; L383-M386 PolarHBondContact O-N 3.38Å; L383-S387 WeakPolarHBondContact O-CB 3.49Å; L383-S387 PolarHBondContact O-N 3.1Å; L383-N408 HydrophobicContact CD1-CB 3.82Å
384	L	78.7	Confident	69.8	Low	96 Å²	96	77.1 Å²	77.1	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-37.1	178.8	-68.5	172.8	0	0	0	113.2	N380 A381 S382 M386 S387	N380-L384 WeakPolarHBondContact O-CG 3.21Å; N380-L384 PolarHBondContact O-N 2.87Å; A381-L384 PolarHBondContact O-N 3.04Å; S382-L384 PolarHBondContact O-N 3.19Å; L384-M386 PolarHBondContact O-N 3.33Å; L384-S387 PolarHBondContact O-OG 3.06Å
385	T	73.8	Confident	67.5	Low	19 Å²	19	83.2 Å²	83.2	12%	0.117	40%	0.4	C	S	.	.	H	α-helix	trans	-66	-33.2	178.7	-59.4	0	0	0	0	110.8	H157 I160 A381 S382	H157-T385 PolarHBondContact ND1-OG1 2.58Å; I160-T385 HydrophobicContact CG2-CG2 4.31Å; A381-T385 VanDerWaalsContact O-CB 3.29Å; A381-T385 WeakPolarHBondContact O-CB 3.39Å; A381-T385 PolarHBondContact O-N 3.43Å; A381-T385 PolarHBondContact O-OG1 3.35Å; S382-T385 PolarHBondContact O-N 3.22Å
386	M	69.8	Low	65.1	Low	51 Å²	51	91 Å²	91	25%	0.251	43%	0.434	S	S	.	.	H	α-helix	trans	-94	-21.8	-175.6	-60.6	-60.3	159.5	0	0	114	I160 K164 S382 L383 L384 K388	I160-M386 HydrophobicContact CG2-CE 3.84Å; K164-M386 HydrophobicContact CB-CE 3.56Å; K164-M386 HydrophobicContact CB-SD 4.44Å; K164-M386 HydrophobicContact CD-CE 4.22Å; K164-M386 HydrophobicContact CD-SD 4.18Å; K164-M386 HydrophobicContact CG-CE 3.61Å; K164-M386 HydrophobicContact CG-SD 3.81Å; S382-M386 WeakPolarHBondContact O-CB 3.39Å; S382-M386 VanDerWaalsContact O-CG 3.25Å; S382-M386 WeakPolarHBondContact O-CG 3.19Å; S382-M386 PolarHBondContact O-N 2.96Å; L383-M386 PolarHBondContact O-N 3.38Å; L384-M386 PolarHBondContact O-N 3.33Å; M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 3.04Å
387	S	64.7	Low	62.6	Low	31 Å²	31	98.6 Å²	98.6	22%	0.217	47%	0.468	C	S	.	.	H	α-helix	trans	-66.7	-27.1	-178.3	63.6	0	0	0	0	113.8	L383 L384 R389 H390	L383-S387 WeakPolarHBondContact O-CB 3.49Å; L383-S387 PolarHBondContact O-N 3.1Å; L384-S387 PolarHBondContact O-OG 3.06Å; S387-R389 PolarHBondContact O-N 3.15Å; S387-H390 PolarHBondContact O-N 3.2Å
388	K	53.9	Low	60	Low	176 Å²	176	97.1 Å²	97.1	77%	0.765	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	8.7	-173.6	-73.4	-171.3	175.9	-177.4	0	116.8	M386	M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 3.04Å
389	R	48.3	Very low	58	Low	127 Å²	127	96.3 Å²	96.3	48%	0.479	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-11.1	171.5	-93.4	-174	173.1	-175	-4.9	114.8	S95 T98 S387	S95-R389 PolarHBondContact OG-NH1 3.49Å; T98-R389 PolarHBondContact OG1-NH2 3.39Å; S387-R389 PolarHBondContact O-N 3.15Å
390	H	40.4	Very low	55.9	Low	90 Å²	90	99.2 Å²	99.2	42%	0.417	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-93.6	-5.5	-175.7	-76.4	-69.5	0	0	0	114.8	S387 I392 E393 E394	S387-H390 PolarHBondContact O-N 3.2Å; H390-I392 PolarHBondContact O-N 2.88Å; H390-I392 VanDerWaalsContact O-N 3.1Å; H390-E393 IonicContact ND1-OE2 3.69Å; H390-E393 PolarHBondContact O-N 3.4Å; H390-E394 PolarHBondContact O-N 3.49Å; H390-E394 VanDerWaalsContact O-N 3.12Å
391	D	41	Very low	53.6	Low	112 Å²	112	102.8 Å²	102.8	60%	0.599	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-67.8	-10	176.4	-59.3	-13.7	0	0	0	113.2
392	I	41	Very low	51.3	Low	159 Å²	159	103.3 Å²	103.3	82%	0.815	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-89.4	-21	173.1	-61.7	175.5	0	0	0	111.9	H390	H390-I392 PolarHBondContact O-N 2.88Å; H390-I392 VanDerWaalsContact O-N 3.1Å
393	E	36.8	Very low	49.2	Very low	114 Å²	114	110.5 Å²	110.5	53%	0.533	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-6.6	178.1	-70	-173.1	155.6	0	0	113.7	H390 K395 K396 F397	H390-E393 IonicContact ND1-OE2 3.69Å; H390-E393 PolarHBondContact O-N 3.4Å; E393-K395 PolarHBondContact O-N 3.16Å; E393-K395 VanDerWaalsContact O-N 3.11Å; E393-K396 PolarHBondContact O-N 3.26Å; E393-F397 PolarHBondContact O-N 3.38Å
394	E	42.4	Very low	47.3	Very low	111 Å²	111	111 Å²	111	52%	0.519	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.4	-179.1	-141.9	-179.9	-168.6	0	0	113	H390 K396	H390-E394 PolarHBondContact O-N 3.49Å; H390-E394 VanDerWaalsContact O-N 3.12Å; E394-K396 VanDerWaalsContact C-N 3.27Å; E394-K396 PolarHBondContact O-N 3.1Å
395	K	43	Very low	45.6	Very low	214 Å²	214	109.5 Å²	109.5	93%	0.93	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.5	171.4	-78.5	-174.9	176.9	178.6	0	114.5	E393	E393-K395 PolarHBondContact O-N 3.16Å; E393-K395 VanDerWaalsContact O-N 3.11Å
396	K	43.1	Very low	44.1	Very low	188 Å²	188	118.5 Å²	118.5	82%	0.817	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	-17.9	-177.5	-117.7	179.3	179.2	-179.2	0	114.7	E393 E394	E393-K396 PolarHBondContact O-N 3.26Å; E394-K396 VanDerWaalsContact C-N 3.27Å; E394-K396 PolarHBondContact O-N 3.1Å
397	F	40.3	Very low	42.9	Very low	171 Å²	171	123.7 Å²	123.7	75%	0.75	59%	0.588	S	S	*	*	S	Bend	trans	-128.6	21.7	-172.4	-96.7	-80.8	0	0	0	116.1	E393	E393-F397 PolarHBondContact O-N 3.38Å
398	G	34.4	Very low	42.2	Very low	46 Å²	46	125.5 Å²	125.5	47%	0.474	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	34.6	110.4	159.4	0	0	0	0	0	119.6	I400	G398-I400 PolarHBondContact O-N 3.13Å
399	S	44.2	Very low	41.9	Very low	86 Å²	86	121.5 Å²	121.5	60%	0.601	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.1	-18.1	158.1	87.5	0	0	0	0	121.6
400	I	43.8	Very low	42.2	Very low	123 Å²	123	119.3 Å²	119.3	63%	0.631	59%	0.587	S	S	*	*	H	α-helix	trans	-78.2	-39	-174.1	-68.2	172.5	0	0	0	110.1	G398 R403 T404	G398-I400 PolarHBondContact O-N 3.13Å; I400-R403 PolarHBondContact O-N 3.47Å; I400-T404 PolarHBondContact O-N 2.82Å; I400-T404 PolarHBondContact O-OG1 3.26Å
401	F	36.6	Very low	43.3	Very low	126 Å²	126	116.3 Å²	116.3	55%	0.553	58%	0.578	S	S	*	*	H	α-helix	trans	-72.2	-39	-177.1	-129.7	-96.6	0	0	0	113.2	R403 T404 I405	F401-R403 VanDerWaalsContact C-N 3.27Å; F401-R403 PolarHBondContact O-N 2.68Å; F401-T404 PolarHBondContact O-N 2.81Å; F401-T404 VanDerWaalsContact O-N 3.12Å; F401-I405 PolarHBondContact O-N 3.2Å; F401-I405 VanDerWaalsContact O-N 3.14Å
402	G	37	Very low	45.1	Very low	28 Å²	28	117.5 Å²	117.5	29%	0.289	58%	0.577	S	S	.	*	H	α-helix	trans	-62.7	-31.2	172.9	0	0	0	0	0	113.3	R406	G402-R406 PolarHBondContact O-N 2.9Å; G402-R406 VanDerWaalsContact O-N 3.15Å
403	R	40.9	Very low	47.6	Very low	192 Å²	192	112.4 Å²	112.4	73%	0.725	55%	0.548	S	S	*	.	H	α-helix	trans	-68.9	-38.2	171.8	-92.1	178.8	172.9	150.9	-2.2	112.3	I400 F401 R406 K407	I400-R403 PolarHBondContact O-N 3.47Å; F401-R403 VanDerWaalsContact C-N 3.27Å; F401-R403 PolarHBondContact O-N 2.68Å; R403-R406 PolarHBondContact O-N 3.15Å; R403-K407 WeakPolarHBondContact O-CB 3.36Å; R403-K407 PolarHBondContact O-N 3.36Å
404	T	39.5	Very low	50.4	Low	72 Å²	72	107 Å²	107	44%	0.442	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-41	177.8	-52	0	0	0	0	112	I400 F401 K407 N408	I400-T404 PolarHBondContact O-N 2.82Å; I400-T404 PolarHBondContact O-OG1 3.26Å; F401-T404 PolarHBondContact O-N 2.81Å; F401-T404 VanDerWaalsContact O-N 3.12Å; T404-K407 PolarHBondContact O-N 3.45Å; T404-N408 PolarHBondContact O-N 3.02Å
405	I	42.3	Very low	53	Low	63 Å²	63	101.7 Å²	101.7	32%	0.323	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-43.7	175.8	-62.3	174.2	0	0	0	110.8	F401 K407 N408 N409	F401-I405 PolarHBondContact O-N 3.2Å; F401-I405 VanDerWaalsContact O-N 3.14Å; I405-K407 VanDerWaalsContact C-N 3.35Å; I405-K407 PolarHBondContact O-N 3.38Å; I405-N408 PolarHBondContact O-N 3.44Å; I405-N409 PolarHBondContact O-N 3.03Å; I405-N409 VanDerWaalsContact O-N 3.08Å
406	R	43	Very low	55.6	Low	209 Å²	209	91.5 Å²	91.5	79%	0.789	45%	0.454	S	S	*	.	H	α-helix	trans	-63.2	-37.9	174.1	-97.7	-178	167.9	173.4	-3	113	G402 R403 N409 S410	G402-R406 PolarHBondContact O-N 2.9Å; G402-R406 VanDerWaalsContact O-N 3.15Å; R403-R406 PolarHBondContact O-N 3.15Å; R406-N409 PolarHBondContact O-N 3.26Å; R406-S410 PolarHBondContact O-N 2.86Å
407	K	45.2	Very low	58.2	Low	159 Å²	159	82.5 Å²	82.5	69%	0.691	42%	0.415	S	S	*	.	H	α-helix	trans	-66.6	-40.5	179.6	-151.6	177.4	-175.8	-173	0	111.3	R403 T404 I405 S410 A411	R403-K407 WeakPolarHBondContact O-CB 3.36Å; R403-K407 PolarHBondContact O-N 3.36Å; T404-K407 PolarHBondContact O-N 3.45Å; I405-K407 VanDerWaalsContact C-N 3.35Å; I405-K407 PolarHBondContact O-N 3.38Å; K407-S410 CarbonylContact O-C 3.56Å; K407-S410 PolarHBondContact O-N 2.93Å; K407-S410 PolarHBondContact O-OG 3.49Å; K407-A411 PolarHBondContact O-N 3.04Å
408	N	48.3	Very low	60.9	Low	70 Å²	70	74.5 Å²	74.5	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-71.8	-34.8	176.4	-89.7	5.1	0	0	0	113.9	L383 T404 I405 S410 A411	L383-N408 HydrophobicContact CD1-CB 3.82Å; T404-N408 PolarHBondContact O-N 3.02Å; I405-N408 PolarHBondContact O-N 3.44Å; N408-S410 PolarHBondContact O-N 3.17Å; N408-S410 VanDerWaalsContact O-N 3.16Å; N408-A411 VanDerWaalsContact O-CB 3.24Å; N408-A411 WeakPolarHBondContact O-CB 3.47Å; N408-A411 PolarHBondContact O-N 3.1Å
409	N	49.3	Very low	63.8	Low	91 Å²	91	72.8 Å²	72.8	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-66.3	-13.9	172.1	-82.3	-3.9	0	0	0	113.2	I405 R406	I405-N409 PolarHBondContact O-N 3.03Å; I405-N409 VanDerWaalsContact O-N 3.08Å; R406-N409 PolarHBondContact O-N 3.26Å
410	S	54.3	Low	66.1	Low	82 Å²	82	69.2 Å²	69.2	57%	0.573	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	3.9	171.8	78.5	0	0	0	0	114	R406 K407 N408 K412	R406-S410 PolarHBondContact O-N 2.86Å; K407-S410 CarbonylContact O-C 3.56Å; K407-S410 PolarHBondContact O-N 2.93Å; K407-S410 PolarHBondContact O-OG 3.49Å; N408-S410 PolarHBondContact O-N 3.17Å; N408-S410 VanDerWaalsContact O-N 3.16Å; S410-K412 PolarHBondContact O-N 3.21Å; S410-K412 VanDerWaalsContact O-N 3.09Å
411	A	62.9	Low	68.4	Low	26 Å²	26	64.5 Å²	64.5	22%	0.215	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-57.7	120.3	-177	0	0	0	0	0	109.2	K407 N408 R413	K407-A411 PolarHBondContact O-N 3.04Å; N408-A411 VanDerWaalsContact O-CB 3.24Å; N408-A411 WeakPolarHBondContact O-CB 3.47Å; N408-A411 PolarHBondContact O-N 3.1Å; A411-R413 PolarHBondContact O-N 3.14Å
412	K	79.4	Confident	71	Confident	137 Å²	137	60 Å²	60	60%	0.596	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-66.4	118.4	-178.2	-67.6	-172.2	178.9	-177	0	108.5	S410 S414 I436	S410-K412 PolarHBondContact O-N 3.21Å; S410-K412 VanDerWaalsContact O-N 3.09Å; K412-S414 PolarHBondContact O-N 2.97Å; K412-S414 PolarHBondContact O-OG 3.23Å; K412-I436 HydrophobicContact CB-CD1 3.59Å; K412-I436 HydrophobicContact CB-CG1 4.23Å; K412-I436 HydrophobicContact CD-CD1 3.51Å; K412-I436 HydrophobicContact CD-CG1 4.29Å; K412-I436 HydrophobicContact CG-CD1 4.21Å
413	R	92.7	Very high	73.6	Confident	52 Å²	52	63.7 Å²	63.7	20%	0.196	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.5	123.4	176.6	-59.3	-171.4	179.1	-159.7	-8.6	108.7	D373 F376 D377 A411 Y435 I436	D373-R413 IonicContact OD1-NH1 3.05Å; D373-R413 PolarHBondContact OD1-NH1 3.1Å; F376-R413 HydrophobicContact CB-CG 4.26Å; F376-R413 HydrophobicContact CD1-CB 4.39Å; F376-R413 HydrophobicContact CD1-CG 3.98Å; F376-R413 HydrophobicContact CD2-CB 3.98Å; F376-R413 HydrophobicContact CD2-CG 3.92Å; F376-R413 HydrophobicContact CE1-CB 4.25Å; F376-R413 HydrophobicContact CE1-CG 4.31Å; F376-R413 HydrophobicContact CE2-CB 3.86Å; F376-R413 HydrophobicContact CE2-CG 4.28Å; F376-R413 HydrophobicContact CG-CB 4.27Å; F376-R413 HydrophobicContact CG-CG 3.78Å; F376-R413 HydrophobicContact CZ-CB 4Å; F376-R413 HydrophobicContact CZ-CG 4.47Å; D377-R413 IonicContact OD1-CZ 3.66Å; D377-R413 IonicContact OD1-NH1 2.71Å; D377-R413 IonicContact OD1-NH2 3.58Å; D377-R413 PolarHBondContact OD1-NH2 3.45Å; A411-R413 PolarHBondContact O-N 3.14Å; R413-Y435 HydrophobicContact CB-CD1 3.57Å; R413-Y435 HydrophobicContact CB-CE1 3.38Å; R413-Y435 HydrophobicContact CB-CG 4.26Å; R413-Y435 WeakPolarHBondContact CD-OH 2.99Å; R413-Y435 HydrophobicContact CG-CE1 4.32Å; R413-Y435 WeakPolarHBondContact O-CA 3.39Å; R413-I436 PolarHBondContact O-N 3.37Å
414	S	95.2	Very high	76.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.4	-169.3	-65.2	0	0	0	0	110.6	V345 V346 K412 I436	V345-S414 WeakPolarHBondContact CA-O 3.2Å; V346-S414 PolarHBondContact N-O 2.91Å; K412-S414 PolarHBondContact O-N 2.97Å; K412-S414 PolarHBondContact O-OG 3.23Å; S414-I436 WeakPolarHBondContact CA-O 3.37Å
415	V	97.1	Very high	78.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.9	177.9	170.9	0	0	0	0	109.9	V346 V348 M369 V372 L417 F428 Y435 I436 L437 Y438	V346-V415 CarbonylContact O-C 3.56Å; V346-V415 VanDerWaalsContact O-CA 3.26Å; V346-V415 WeakPolarHBondContact O-CA 3.34Å; V348-V415 HydrophobicContact CB-CG1 3.86Å; V348-V415 HydrophobicContact CG2-CG1 3.57Å; V348-V415 HydrophobicContact CG2-CG2 4.42Å; M369-V415 HydrophobicContact CE-CG2 4.08Å; M369-V415 HydrophobicContact SD-CG2 4.32Å; V372-V415 HydrophobicContact CG1-CG2 3.83Å; V415-L417 HydrophobicContact CG1-CB 4.49Å; V415-F428 HydrophobicContact CB-CE2 4.38Å; V415-F428 HydrophobicContact CB-CZ 3.95Å; V415-F428 HydrophobicContact CG1-CE2 4.1Å; V415-F428 HydrophobicContact CG1-CZ 4.18Å; V415-F428 HydrophobicContact CG2-CZ 4.02Å; V415-Y435 HydrophobicContact CG2-CD1 3.74Å; V415-Y435 HydrophobicContact CG2-CE1 4.04Å; V415-I436 PolarHBondContact N-O 3.45Å; V415-L437 HydrophobicContact CG1-CD1 4.29Å; V415-Y438 PolarHBondContact O-N 3.16Å
416	Y	97.6	Very high	81.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.7	162.2	179.6	-86.5	0	0	0	108.9	T334 F338 V346 G347 V348 A418 R443 D464 A467 L468	T334-Y416 HydrophobicContact CG2-CE2 4.01Å; F338-Y416 AromaticContact CD1-CD2 3.64Å; F338-Y416 HydrophobicContact CD1-CD2 3.64Å; F338-Y416 HydrophobicContact CD1-CE2 4.08Å; F338-Y416 AromaticContact CE1-CD2 3.83Å; F338-Y416 HydrophobicContact CE1-CD2 3.83Å; F338-Y416 HydrophobicContact CE1-CE2 4.05Å; F338-Y416 HydrophobicContact CG-CD2 4.33Å; V346-Y416 PolarHBondContact O-N 3.33Å; G347-Y416 CarbonylContact C-O 3.58Å; G347-Y416 WeakPolarHBondContact CA-O 3.47Å; V348-Y416 PolarHBondContact N-O 2.92Å; Y416-A418 HydrophobicContact CE1-CB 4.28Å; Y416-R443 PolarHBondContact OH-NH2 2.95Å; Y416-D464 PolarHBondContact OH-OD1 3.17Å; Y416-A467 HydrophobicContact CD1-CB 4.3Å; Y416-A467 HydrophobicContact CD2-CB 4.47Å; Y416-A467 HydrophobicContact CE1-CB 3.56Å; Y416-A467 HydrophobicContact CE2-CB 3.74Å; Y416-A467 WeakPolarHBondContact OH-CB 3.4Å; Y416-L468 HydrophobicContact CD1-CD2 3.94Å; Y416-L468 HydrophobicContact CD1-CG 4.3Å; Y416-L468 HydrophobicContact CE1-CD2 4.32Å; Y416-L468 HydrophobicContact CE1-CG 4.23Å
417	L	97.8	Very high	83.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.8	-177.4	178.5	65.6	0	0	0	111.2	V348 I350 V415 T419 V424 F425 L437 Y438	V348-L417 HydrophobicContact CB-CD1 4.32Å; V348-L417 HydrophobicContact CG1-CD1 4.04Å; V348-L417 WeakPolarHBondContact O-CA 3.44Å; I350-L417 HydrophobicContact CD1-CD1 3.99Å; I350-L417 HydrophobicContact CG1-CD1 4.26Å; V415-L417 HydrophobicContact CG1-CB 4.49Å; L417-T419 HydrophobicContact CD1-CG2 4.48Å; L417-T419 HydrophobicContact CD2-CG2 4.3Å; L417-T419 HydrophobicContact CG-CG2 4.21Å; L417-V424 HydrophobicContact CD1-CG1 4.27Å; L417-V424 HydrophobicContact CD2-CB 4.35Å; L417-V424 HydrophobicContact CD2-CG1 3.73Å; L417-F425 HydrophobicContact CB-CE1 4.13Å; L417-F425 HydrophobicContact CB-CZ 4.05Å; L417-F425 HydrophobicContact CD2-CD1 4Å; L417-F425 HydrophobicContact CD2-CD2 4.1Å; L417-F425 HydrophobicContact CD2-CE1 3.92Å; L417-F425 HydrophobicContact CD2-CE2 4.02Å; L417-F425 HydrophobicContact CD2-CG 4.09Å; L417-F425 HydrophobicContact CD2-CZ 3.92Å; L417-F425 HydrophobicContact CG-CE1 4.29Å; L417-F425 HydrophobicContact CG-CE2 4.23Å; L417-F425 HydrophobicContact CG-CZ 3.96Å; L417-F425 WeakPolarHBondContact O-CZ 3.47Å; L417-L437 HydrophobicContact CB-CD1 3.63Å; L417-L437 HydrophobicContact CD2-CD1 4.19Å; L417-Y438 PolarHBondContact N-O 3.27Å
418	A	97.4	Very high	86.1	Confident	3 Å²	3	39.6 Å²	39.6	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.3	166.6	0	0	0	0	0	109.4	V348 H349 I350 Y416 D464 L468	V348-A418 PolarHBondContact O-N 3.03Å; H349-A418 WeakPolarHBondContact CA-O 3.42Å; I350-A418 PolarHBondContact N-O 2.9Å; Y416-A418 HydrophobicContact CE1-CB 4.28Å; A418-D464 HydrophobicContact CB-CB 3.95Å; A418-L468 HydrophobicContact CB-CD1 3.8Å; A418-L468 HydrophobicContact CB-CD2 4.11Å; A418-L468 HydrophobicContact CB-CG 4.06Å
419	T	95.4	Very high	88.2	Confident	9 Å²	9	39.5 Å²	39.5	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	150.8	-177.7	-175.8	0	0	0	0	111.3	I350 L417 D421 V424 F425 S444	I350-T419 VanDerWaalsContact O-CA 3.28Å; I350-T419 WeakPolarHBondContact O-CA 3.23Å; I350-T419 VanDerWaalsContact O-CB 3.29Å; I350-T419 WeakPolarHBondContact O-CB 3.4Å; I350-T419 PolarHBondContact O-OG1 3.15Å; L417-T419 HydrophobicContact CD1-CG2 4.48Å; L417-T419 HydrophobicContact CD2-CG2 4.3Å; L417-T419 HydrophobicContact CG-CG2 4.21Å; T419-D421 VanDerWaalsContact C-N 3.33Å; T419-D421 WeakPolarHBondContact CG2-O 3.28Å; T419-D421 PolarHBondContact OG1-N 3.27Å; T419-D421 VanDerWaalsContact OG1-N 3.15Å; T419-V424 HydrophobicContact CG2-CB 4.11Å; T419-V424 HydrophobicContact CG2-CG2 4.43Å; T419-F425 HydrophobicContact CG2-CD2 4.01Å; T419-F425 HydrophobicContact CG2-CE2 3.76Å; T419-S444 VanDerWaalsContact O-CA 3.24Å; T419-S444 WeakPolarHBondContact O-CA 3.49Å; T419-S444 WeakPolarHBondContact O-CB 3.32Å; T419-S444 PolarHBondContact O-OG 2.9Å
420	D	92.1	Very high	90.3	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.059	23%	0.232	C	C	.	.	S	Bend	trans	-90.4	6.6	170.7	63.6	-32.6	0	0	0	113.2	R351 R352 T353 A447 R452	R351-D420 WeakPolarHBondContact CA-OD1 3.41Å; R351-D420 IonicContact CZ-OD2 3.38Å; R351-D420 IonicContact NE-OD2 3.12Å; R351-D420 IonicContact NH1-OD2 2.56Å; R351-D420 PolarHBondContact NH1-OD2 2.56Å; R352-D420 PolarHBondContact N-OD1 2.67Å; R352-D420 PolarHBondContact N-OD2 3.35Å; T353-D420 WeakPolarHBondContact CB-OD2 3.25Å; T353-D420 HydrophobicContact CG2-CB 4.31Å; T353-D420 WeakPolarHBondContact CG2-O 3.42Å; T353-D420 WeakPolarHBondContact CG2-OD2 3.22Å; T353-D420 PolarHBondContact OG1-OD2 2.93Å; D420-A447 HydrophobicContact CB-CB 3.88Å; D420-R452 IonicContact OD2-NH2 2.8Å
421	D	92	Very high	92.2	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.134	22%	0.222	C	C	.	.			trans	-117.9	101.4	173.5	-179.4	1.6	0	0	0	110.9	R352 T419 N423 V424 S444	R352-D421 HydrophobicContact CB-CB 4.14Å; R352-D421 WeakPolarHBondContact CD-OD2 3.25Å; R352-D421 HydrophobicContact CG-CB 4.37Å; R352-D421 IonicContact CZ-OD2 3.59Å; R352-D421 IonicContact NE-OD2 2.65Å; R352-D421 IonicContact NH1-OD2 3.92Å; R352-D421 PolarHBondContact NH1-OD2 3.04Å; T419-D421 VanDerWaalsContact C-N 3.33Å; T419-D421 WeakPolarHBondContact CG2-O 3.28Å; T419-D421 PolarHBondContact OG1-N 3.27Å; T419-D421 VanDerWaalsContact OG1-N 3.15Å; D421-N423 PolarHBondContact O-N 2.85Å; D421-N423 VanDerWaalsContact O-N 3.08Å; D421-N423 VanDerWaalsContact OD1-CB 3.28Å; D421-N423 WeakPolarHBondContact OD1-CB 3.42Å; D421-N423 PolarHBondContact OD1-N 3.36Å; D421-N423 PolarHBondContact OD1-ND2 3.2Å; D421-V424 HydrophobicContact CB-CG2 3.99Å; D421-V424 WeakPolarHBondContact O-CB 3.49Å; D421-V424 WeakPolarHBondContact O-CG2 3.42Å; D421-V424 PolarHBondContact O-N 2.99Å; D421-V424 VanDerWaalsContact O-N 3.09Å; D421-S444 VanDerWaalsContact C-OG 3.3Å
422	P	90.9	Very high	93.7	Very high	31 Å²	31	43.5 Å²	43.5	20%	0.201	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.2	-179.7	-27.8	34.6	0	0	0	114.6	V424 F425 S444 H445	P422-V424 PolarHBondContact O-N 3.38Å; P422-F425 PolarHBondContact O-N 3.44Å; P422-F425 VanDerWaalsContact O-N 3.14Å; P422-S444 WeakPolarHBondContact CA-OG 3.21Å; P422-S444 WeakPolarHBondContact CD-OG 3.45Å; P422-S444 VanDerWaalsContact N-OG 3.12Å; P422-H445 HydrophobicContact CG-CB 4.41Å
423	N	92.5	Very high	94.4	Very high	105 Å²	105	41.9 Å²	41.9	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-65.4	-23.8	-179.5	-58.5	-60.1	0	0	0	112	D421 F425 T426 Q427	D421-N423 PolarHBondContact O-N 2.85Å; D421-N423 VanDerWaalsContact O-N 3.08Å; D421-N423 VanDerWaalsContact OD1-CB 3.28Å; D421-N423 WeakPolarHBondContact OD1-CB 3.42Å; D421-N423 PolarHBondContact OD1-N 3.36Å; D421-N423 PolarHBondContact OD1-ND2 3.2Å; N423-F425 VanDerWaalsContact C-N 3.28Å; N423-F425 PolarHBondContact O-N 2.86Å; N423-T426 WeakPolarHBondContact CA-OG1 3.35Å; N423-T426 PolarHBondContact O-N 3.48Å; N423-T426 VanDerWaalsContact O-N 3.07Å; N423-T426 PolarHBondContact O-OG1 3.39Å; N423-Q427 WeakPolarHBondContact O-CB 3.23Å; N423-Q427 PolarHBondContact O-N 3.2Å
424	V	94.3	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-37.2	176.5	-175.8	0	0	0	0	110.8	I350 L365 L417 T419 D421 P422 T426 Q427 F428	I350-V424 HydrophobicContact CD1-CG1 3.96Å; L365-V424 HydrophobicContact CD1-CG1 4.24Å; L365-V424 HydrophobicContact CD2-CG1 4.4Å; L417-V424 HydrophobicContact CD1-CG1 4.27Å; L417-V424 HydrophobicContact CD2-CB 4.35Å; L417-V424 HydrophobicContact CD2-CG1 3.73Å; T419-V424 HydrophobicContact CG2-CB 4.11Å; T419-V424 HydrophobicContact CG2-CG2 4.43Å; D421-V424 HydrophobicContact CB-CG2 3.99Å; D421-V424 WeakPolarHBondContact O-CB 3.49Å; D421-V424 WeakPolarHBondContact O-CG2 3.42Å; D421-V424 PolarHBondContact O-N 2.99Å; D421-V424 VanDerWaalsContact O-N 3.09Å; P422-V424 PolarHBondContact O-N 3.38Å; V424-T426 VanDerWaalsContact C-N 3.25Å; V424-T426 PolarHBondContact O-N 3.1Å; V424-Q427 PolarHBondContact O-N 2.91Å; V424-F428 VanDerWaalsContact O-CB 3.28Å; V424-F428 WeakPolarHBondContact O-CB 3.44Å; V424-F428 PolarHBondContact O-N 2.82Å
425	F	95.2	Very high	94.3	Very high	22 Å²	22	45.5 Å²	45.5	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-31.7	174.4	-81	-82.1	0	0	0	112.3	L417 T419 P422 N423 P429 L437 P441	L417-F425 HydrophobicContact CB-CE1 4.13Å; L417-F425 HydrophobicContact CB-CZ 4.05Å; L417-F425 HydrophobicContact CD2-CD1 4Å; L417-F425 HydrophobicContact CD2-CD2 4.1Å; L417-F425 HydrophobicContact CD2-CE1 3.92Å; L417-F425 HydrophobicContact CD2-CE2 4.02Å; L417-F425 HydrophobicContact CD2-CG 4.09Å; L417-F425 HydrophobicContact CD2-CZ 3.92Å; L417-F425 HydrophobicContact CG-CE1 4.29Å; L417-F425 HydrophobicContact CG-CE2 4.23Å; L417-F425 HydrophobicContact CG-CZ 3.96Å; L417-F425 WeakPolarHBondContact O-CZ 3.47Å; T419-F425 HydrophobicContact CG2-CD2 4.01Å; T419-F425 HydrophobicContact CG2-CE2 3.76Å; P422-F425 PolarHBondContact O-N 3.44Å; P422-F425 VanDerWaalsContact O-N 3.14Å; N423-F425 VanDerWaalsContact C-N 3.28Å; N423-F425 PolarHBondContact O-N 2.86Å; F425-P429 WeakPolarHBondContact O-CD 3.35Å; F425-L437 HydrophobicContact CD1-CD2 3.88Å; F425-L437 HydrophobicContact CE1-CD2 4.35Å; F425-P441 HydrophobicContact CB-CB 4.49Å; F425-P441 HydrophobicContact CB-CG 4.16Å; F425-P441 HydrophobicContact CD1-CG 3.92Å; F425-P441 HydrophobicContact CD2-CB 4.45Å; F425-P441 HydrophobicContact CD2-CG 4.42Å; F425-P441 HydrophobicContact CE1-CG 4.43Å; F425-P441 HydrophobicContact CG-CB 4.34Å; F425-P441 HydrophobicContact CG-CG 3.92Å
426	T	93.6	Very high	94.2	Very high	88 Å²	88	48 Å²	48	54%	0.54	26%	0.256	S	S	.	.	H	α-helix	trans	-75.5	-37.6	173	61.3	0	0	0	0	112.5	N423 V424 Y430	N423-T426 WeakPolarHBondContact CA-OG1 3.35Å; N423-T426 PolarHBondContact O-N 3.48Å; N423-T426 VanDerWaalsContact O-N 3.07Å; N423-T426 PolarHBondContact O-OG1 3.39Å; V424-T426 VanDerWaalsContact C-N 3.25Å; V424-T426 PolarHBondContact O-N 3.1Å; T426-Y430 WeakPolarHBondContact O-CD2 3.48Å; T426-Y430 WeakPolarHBondContact O-CE2 3.47Å
427	Q	94.3	Very high	94.1	Very high	78 Å²	78	50.2 Å²	50.2	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-74.2	-32.9	-178.1	-177.1	-176.9	5.3	0	0	112.9	L365 N423 V424 Y430 S431	L365-Q427 HydrophobicContact CD2-CG 4.39Å; N423-Q427 WeakPolarHBondContact O-CB 3.23Å; N423-Q427 PolarHBondContact O-N 3.2Å; V424-Q427 PolarHBondContact O-N 2.91Å; Q427-Y430 PolarHBondContact O-N 2.68Å; Q427-S431 PolarHBondContact O-N 2.83Å; Q427-S431 VanDerWaalsContact O-N 3.14Å; Q427-S431 PolarHBondContact O-OG 3.29Å
428	F	96	Very high	94	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-51.1	-169.7	-172	-69.8	0	0	0	112.9	L365 M369 V415 V424 Y430 S431 H432 Y435 L437	L365-F428 HydrophobicContact CD1-CD2 3.92Å; L365-F428 HydrophobicContact CD1-CE2 4.31Å; L365-F428 HydrophobicContact CD2-CB 4.13Å; L365-F428 HydrophobicContact CD2-CD2 3.95Å; L365-F428 HydrophobicContact CD2-CG 4.37Å; M369-F428 HydrophobicContact CE-CE2 4.05Å; M369-F428 HydrophobicContact CE-CZ 3.82Å; M369-F428 HydrophobicContact CG-CE2 4.42Å; M369-F428 HydrophobicContact SD-CE2 3.51Å; M369-F428 VanDerWaalsContact SD-CE2 3.51Å; M369-F428 HydrophobicContact SD-CZ 3.92Å; V415-F428 HydrophobicContact CB-CE2 4.38Å; V415-F428 HydrophobicContact CB-CZ 3.95Å; V415-F428 HydrophobicContact CG1-CE2 4.1Å; V415-F428 HydrophobicContact CG1-CZ 4.18Å; V415-F428 HydrophobicContact CG2-CZ 4.02Å; V424-F428 VanDerWaalsContact O-CB 3.28Å; V424-F428 WeakPolarHBondContact O-CB 3.44Å; V424-F428 PolarHBondContact O-N 2.82Å; F428-Y430 VanDerWaalsContact C-N 3.26Å; F428-Y430 PolarHBondContact O-N 3.4Å; F428-S431 PolarHBondContact O-N 3.23Å; F428-S431 VanDerWaalsContact O-N 3.15Å; F428-S431 PolarHBondContact O-OG 3Å; F428-H432 HydrophobicContact CD1-CB 4.37Å; F428-H432 HydrophobicContact CE1-CB 4.04Å; F428-H432 HydrophobicContact CZ-CB 4.31Å; F428-H432 PolarHBondContact O-N 2.8Å; F428-Y435 HydrophobicContact CZ-CG 4.46Å; F428-L437 HydrophobicContact CB-CD2 3.92Å; F428-L437 HydrophobicContact CD1-CB 4.07Å; F428-L437 HydrophobicContact CD1-CD1 3.89Å; F428-L437 HydrophobicContact CD1-CD2 3.79Å; F428-L437 HydrophobicContact CD1-CG 4.14Å; F428-L437 HydrophobicContact CD2-CD1 4.03Å; F428-L437 HydrophobicContact CE1-CB 4.07Å; F428-L437 HydrophobicContact CE1-CD1 3.91Å; F428-L437 HydrophobicContact CE1-CG 4.39Å; F428-L437 HydrophobicContact CE2-CD1 4.03Å; F428-L437 HydrophobicContact CG-CD1 3.98Å; F428-L437 HydrophobicContact CG-CD2 3.89Å; F428-L437 HydrophobicContact CG-CG 4.46Å; F428-L437 HydrophobicContact CZ-CD1 3.98Å
429	P	93	Very high	93.8	Very high	68 Å²	68	53.5 Å²	53.5	44%	0.442	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-31.4	-178.3	-23.6	35.7	0	0	0	113.6	F425 P433	F425-P429 WeakPolarHBondContact O-CD 3.35Å; P429-P433 WeakPolarHBondContact O-CA 3.45Å; P429-P433 WeakPolarHBondContact O-CB 3.44Å
430	Y	93.7	Very high	93.8	Very high	205 Å²	205	54.9 Å²	54.9	80%	0.804	30%	0.298	S	S	*	.	H	α-helix	trans	-71.8	-39.2	175.9	-65.6	-71.8	0	0	0	112.7	T426 Q427 F428	T426-Y430 WeakPolarHBondContact O-CD2 3.48Å; T426-Y430 WeakPolarHBondContact O-CE2 3.47Å; Q427-Y430 PolarHBondContact O-N 2.68Å; F428-Y430 VanDerWaalsContact C-N 3.26Å; F428-Y430 PolarHBondContact O-N 3.4Å
431	S	93.6	Very high	93.8	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-85.7	-27.2	-175.1	51.7	0	0	0	0	113.6	Q427 F428	Q427-S431 PolarHBondContact O-N 2.83Å; Q427-S431 VanDerWaalsContact O-N 3.14Å; Q427-S431 PolarHBondContact O-OG 3.29Å; F428-S431 PolarHBondContact O-N 3.23Å; F428-S431 VanDerWaalsContact O-N 3.15Å; F428-S431 PolarHBondContact O-OG 3Å
432	H	94.5	Very high	93.8	Very high	26 Å²	26	58.2 Å²	58.2	12%	0.12	33%	0.33	C	S	.	.			trans	-136.6	59.4	-175.9	-58.3	83.1	0	0	0	111	M369 F428 N434 Y435	M369-H432 WeakPolarHBondContact CB-NE2 3.34Å; M369-H432 HydrophobicContact CE-CB 4.42Å; M369-H432 WeakPolarHBondContact CG-NE2 3.42Å; F428-H432 HydrophobicContact CD1-CB 4.37Å; F428-H432 HydrophobicContact CE1-CB 4.04Å; F428-H432 HydrophobicContact CZ-CB 4.31Å; F428-H432 PolarHBondContact O-N 2.8Å; H432-N434 PolarHBondContact O-N 3.41Å; H432-N434 VanDerWaalsContact O-N 3.1Å; H432-Y435 HydrophobicContact CB-CD2 3.91Å; H432-Y435 PolarHBondContact O-N 2.87Å; H432-Y435 VanDerWaalsContact O-N 3.14Å
433	P	93.1	Very high	94	Very high	104 Å²	104	57.9 Å²	57.9	68%	0.675	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.8	-172.1	27.2	-36.5	0	0	0	114.2	P429 Y435	P429-P433 WeakPolarHBondContact O-CA 3.45Å; P429-P433 WeakPolarHBondContact O-CB 3.44Å; P433-Y435 VanDerWaalsContact C-N 3.31Å
434	N	91.8	Very high	94	Very high	109 Å²	109	53 Å²	53	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-3	178.5	61.5	-45.4	0	0	0	113.9	H432	H432-N434 PolarHBondContact O-N 3.41Å; H432-N434 VanDerWaalsContact O-N 3.1Å
435	Y	94.3	Very high	93.8	Very high	18 Å²	18	57.9 Å²	57.9	7%	0.071	32%	0.321	C	S	.	.	S	Bend	trans	-101	143	-180	-82.3	-95.6	0	0	0	112.2	M369 V372 D373 F376 R413 V415 F428 H432 P433	M369-Y435 HydrophobicContact CE-CD1 4.01Å; M369-Y435 HydrophobicContact CE-CD2 3.95Å; M369-Y435 HydrophobicContact CE-CE1 3.79Å; M369-Y435 HydrophobicContact CE-CE2 3.74Å; M369-Y435 HydrophobicContact CE-CG 4.07Å; V372-Y435 HydrophobicContact CG1-CE1 3.56Å; D373-Y435 PolarHBondContact OD1-OH 3.17Å; F376-Y435 HydrophobicContact CD2-CE1 4.05Å; F376-Y435 AromaticContact CE2-CE1 3.78Å; F376-Y435 HydrophobicContact CE2-CE1 3.78Å; R413-Y435 HydrophobicContact CB-CD1 3.57Å; R413-Y435 HydrophobicContact CB-CE1 3.38Å; R413-Y435 HydrophobicContact CB-CG 4.26Å; R413-Y435 WeakPolarHBondContact CD-OH 2.99Å; R413-Y435 HydrophobicContact CG-CE1 4.32Å; R413-Y435 WeakPolarHBondContact O-CA 3.39Å; V415-Y435 HydrophobicContact CG2-CD1 3.74Å; V415-Y435 HydrophobicContact CG2-CE1 4.04Å; F428-Y435 HydrophobicContact CZ-CG 4.46Å; H432-Y435 HydrophobicContact CB-CD2 3.91Å; H432-Y435 PolarHBondContact O-N 2.87Å; H432-Y435 VanDerWaalsContact O-N 3.14Å; P433-Y435 VanDerWaalsContact C-N 3.31Å
436	I	94.5	Very high	93.6	Very high	53 Å²	53	57.2 Å²	57.2	27%	0.272	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.6	162.9	-60.1	174.1	0	0	0	108.2	K412 R413 S414 V415 Y438	K412-I436 HydrophobicContact CB-CD1 3.59Å; K412-I436 HydrophobicContact CB-CG1 4.23Å; K412-I436 HydrophobicContact CD-CD1 3.51Å; K412-I436 HydrophobicContact CD-CG1 4.29Å; K412-I436 HydrophobicContact CG-CD1 4.21Å; R413-I436 PolarHBondContact O-N 3.37Å; S414-I436 WeakPolarHBondContact CA-O 3.37Å; V415-I436 PolarHBondContact N-O 3.45Å; I436-Y438 HydrophobicContact CB-CE2 4.4Å; I436-Y438 HydrophobicContact CG2-CD2 4.23Å; I436-Y438 HydrophobicContact CG2-CE1 4.06Å; I436-Y438 HydrophobicContact CG2-CE2 3.67Å
437	L	95.5	Very high	93.3	Very high	47 Å²	47	54 Å²	54	25%	0.246	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121	176.3	-175.7	64.5	0	0	0	111	V415 L417 F425 F428	V415-L437 HydrophobicContact CG1-CD1 4.29Å; L417-L437 HydrophobicContact CB-CD1 3.63Å; L417-L437 HydrophobicContact CD2-CD1 4.19Å; F425-L437 HydrophobicContact CD1-CD2 3.88Å; F425-L437 HydrophobicContact CE1-CD2 4.35Å; F428-L437 HydrophobicContact CB-CD2 3.92Å; F428-L437 HydrophobicContact CD1-CB 4.07Å; F428-L437 HydrophobicContact CD1-CD1 3.89Å; F428-L437 HydrophobicContact CD1-CD2 3.79Å; F428-L437 HydrophobicContact CD1-CG 4.14Å; F428-L437 HydrophobicContact CD2-CD1 4.03Å; F428-L437 HydrophobicContact CE1-CB 4.07Å; F428-L437 HydrophobicContact CE1-CD1 3.91Å; F428-L437 HydrophobicContact CE1-CG 4.39Å; F428-L437 HydrophobicContact CE2-CD1 4.03Å; F428-L437 HydrophobicContact CG-CD1 3.98Å; F428-L437 HydrophobicContact CG-CD2 3.89Å; F428-L437 HydrophobicContact CG-CG 4.46Å; F428-L437 HydrophobicContact CZ-CD1 3.98Å
438	Y	96	Very high	92.7	Very high	44 Å²	44	53.3 Å²	53.3	17%	0.173	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	158.9	165.9	-56.6	-77.1	0	0	0	110	S337 F338 V345 V415 L417 I436	S337-Y438 WeakPolarHBondContact O-CE1 3.11Å; F338-Y438 HydrophobicContact CB-CD1 3.84Å; F338-Y438 HydrophobicContact CB-CD2 3.51Å; F338-Y438 HydrophobicContact CB-CE1 4.14Å; F338-Y438 HydrophobicContact CB-CE2 3.81Å; F338-Y438 HydrophobicContact CB-CG 3.51Å; V345-Y438 HydrophobicContact CG1-CD2 4.31Å; V345-Y438 HydrophobicContact CG2-CE2 4.37Å; V415-Y438 PolarHBondContact O-N 3.16Å; L417-Y438 PolarHBondContact N-O 3.27Å; I436-Y438 HydrophobicContact CB-CE2 4.4Å; I436-Y438 HydrophobicContact CG2-CD2 4.23Å; I436-Y438 HydrophobicContact CG2-CE1 4.06Å; I436-Y438 HydrophobicContact CG2-CE2 3.67Å
439	G	94.4	Very high	92	Very high	28 Å²	28	57.8 Å²	57.8	29%	0.289	32%	0.324	S	S	.	.	S	Bend	trans	134.7	176.6	-178	0	0	0	0	0	110.8
440	S	94	Very high	91.4	Very high	38 Å²	38	65.5 Å²	65.5	27%	0.266	34%	0.344	S	S	.	.			trans	-125.8	111.1	-179.9	176.3	0	0	0	0	110.8	G442 R443 S444	S440-G442 PolarHBondContact O-N 2.86Å; S440-G442 PolarHBondContact OG-N 2.8Å; S440-R443 PolarHBondContact O-N 2.9Å; S440-R443 VanDerWaalsContact O-N 3.1Å; S440-R443 PolarHBondContact OG-N 2.6Å; S440-S444 PolarHBondContact O-N 3.04Å
441	P	92.7	Very high	90.9	Very high	61 Å²	61	59.9 Å²	59.9	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-54.5	-36.9	169.5	-25.2	33.6	0	0	0	111.6	F425 R443 S444 H445	F425-P441 HydrophobicContact CB-CB 4.49Å; F425-P441 HydrophobicContact CB-CG 4.16Å; F425-P441 HydrophobicContact CD1-CG 3.92Å; F425-P441 HydrophobicContact CD2-CB 4.45Å; F425-P441 HydrophobicContact CD2-CG 4.42Å; F425-P441 HydrophobicContact CE1-CG 4.43Å; F425-P441 HydrophobicContact CG-CB 4.34Å; F425-P441 HydrophobicContact CG-CG 3.92Å; P441-R443 VanDerWaalsContact C-N 3.35Å; P441-R443 PolarHBondContact O-N 3.17Å; P441-S444 WeakPolarHBondContact O-CB 3.43Å; P441-S444 PolarHBondContact O-N 3.28Å; P441-S444 VanDerWaalsContact O-N 3.16Å; P441-H445 PolarHBondContact O-N 3.42Å; P441-H445 PolarHBondContact O-ND1 3.2Å
442	G	92.8	Very high	90.4	Very high	45 Å²	45	60.2 Å²	60.2	46%	0.464	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-37.9	177.5	0	0	0	0	0	113.4	S440 S444 H445 S446	S440-G442 PolarHBondContact O-N 2.86Å; S440-G442 PolarHBondContact OG-N 2.8Å; G442-S444 VanDerWaalsContact C-N 3.35Å; G442-H445 PolarHBondContact O-N 3.16Å; G442-S446 PolarHBondContact O-N 3.31Å; G442-S446 VanDerWaalsContact O-N 3.17Å
443	R	93.9	Very high	89.8	Confident	24 Å²	24	67.5 Å²	67.5	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-41	173.3	-70.5	-159	-72.4	-107.5	-6.1	111.5	T334 Y416 S440 P441 H445 S446 A447 N460 D464	T334-R443 PolarHBondContact OG1-NH1 3.12Å; Y416-R443 PolarHBondContact OH-NH2 2.95Å; S440-R443 PolarHBondContact O-N 2.9Å; S440-R443 VanDerWaalsContact O-N 3.1Å; S440-R443 PolarHBondContact OG-N 2.6Å; P441-R443 VanDerWaalsContact C-N 3.35Å; P441-R443 PolarHBondContact O-N 3.17Å; R443-H445 PolarHBondContact O-N 3.36Å; R443-S446 PolarHBondContact O-N 2.69Å; R443-S446 VanDerWaalsContact O-N 3.14Å; R443-S446 PolarHBondContact O-OG 3.48Å; R443-A447 PolarHBondContact O-N 3.23Å; R443-N460 HydrophobicContact CB-CB 4.05Å; R443-N460 HydrophobicContact CG-CB 3.67Å; R443-D464 IonicContact CZ-OD1 3.5Å; R443-D464 VanDerWaalsContact CZ-OD1 3.28Å; R443-D464 VanDerWaalsContact NE-CG 3.34Å; R443-D464 IonicContact NE-OD1 3.25Å; R443-D464 PolarHBondContact NE-OD1 2.97Å; R443-D464 IonicContact NE-OD2 3.64Å; R443-D464 PolarHBondContact NE-OD2 3.33Å; R443-D464 IonicContact NH2-OD1 3.44Å; R443-D464 PolarHBondContact NH2-OD1 3.34Å
444	S	92.4	Very high	89.7	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-44.9	175.3	-169.7	0	0	0	0	112.6	T419 D421 P422 S440 P441 G442 S446 A447	T419-S444 VanDerWaalsContact O-CA 3.24Å; T419-S444 WeakPolarHBondContact O-CA 3.49Å; T419-S444 WeakPolarHBondContact O-CB 3.32Å; T419-S444 PolarHBondContact O-OG 2.9Å; D421-S444 VanDerWaalsContact C-OG 3.3Å; P422-S444 WeakPolarHBondContact CA-OG 3.21Å; P422-S444 WeakPolarHBondContact CD-OG 3.45Å; P422-S444 VanDerWaalsContact N-OG 3.12Å; S440-S444 PolarHBondContact O-N 3.04Å; P441-S444 WeakPolarHBondContact O-CB 3.43Å; P441-S444 PolarHBondContact O-N 3.28Å; P441-S444 VanDerWaalsContact O-N 3.16Å; G442-S444 VanDerWaalsContact C-N 3.35Å; S444-S446 VanDerWaalsContact C-N 3.31Å; S444-S446 PolarHBondContact O-N 3.49Å; S444-A447 WeakPolarHBondContact O-CB 3.32Å; S444-A447 PolarHBondContact O-N 2.91Å; S444-A447 VanDerWaalsContact O-N 3.15Å
445	H	90.7	Very high	89.6	Confident	103 Å²	103	63.8 Å²	63.8	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-39	175.9	-70.8	89.8	0	0	0	112.2	P422 P441 G442 R443 A447 D448 M451	P422-H445 HydrophobicContact CG-CB 4.41Å; P441-H445 PolarHBondContact O-N 3.42Å; P441-H445 PolarHBondContact O-ND1 3.2Å; G442-H445 PolarHBondContact O-N 3.16Å; R443-H445 PolarHBondContact O-N 3.36Å; H445-A447 PolarHBondContact O-N 3.34Å; H445-D448 WeakPolarHBondContact O-CB 3.08Å; H445-D448 PolarHBondContact O-N 3.12Å; H445-D448 VanDerWaalsContact O-N 3.16Å; H445-M451 WeakPolarHBondContact O-CE 3.35Å
446	S	91.1	Very high	89.5	Confident	8 Å²	8	67.5 Å²	67.5	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-64.9	-22.7	179.1	73.8	0	0	0	0	113.7	G442 R443 S444 D448 S457 N460	G442-S446 PolarHBondContact O-N 3.31Å; G442-S446 VanDerWaalsContact O-N 3.17Å; R443-S446 PolarHBondContact O-N 2.69Å; R443-S446 VanDerWaalsContact O-N 3.14Å; R443-S446 PolarHBondContact O-OG 3.48Å; S444-S446 VanDerWaalsContact C-N 3.31Å; S444-S446 PolarHBondContact O-N 3.49Å; S446-D448 VanDerWaalsContact C-N 3.26Å; S446-D448 PolarHBondContact O-N 2.93Å; S446-S457 VanDerWaalsContact O-CB 3.27Å; S446-S457 WeakPolarHBondContact O-CB 3.27Å; S446-S457 PolarHBondContact O-OG 2.99Å; S446-N460 PolarHBondContact OG-ND2 3.01Å
447	A	86.5	Confident	89.4	Confident	21 Å²	21	65.1 Å²	65.1	17%	0.174	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1	177.8	0	0	0	0	0	113.8	D420 R443 S444 H445 R452	D420-A447 HydrophobicContact CB-CB 3.88Å; R443-A447 PolarHBondContact O-N 3.23Å; S444-A447 WeakPolarHBondContact O-CB 3.32Å; S444-A447 PolarHBondContact O-N 2.91Å; S444-A447 VanDerWaalsContact O-N 3.15Å; H445-A447 PolarHBondContact O-N 3.34Å; A447-R452 VanDerWaalsContact O-CZ 3.3Å; A447-R452 PolarHBondContact O-NE 3.2Å; A447-R452 PolarHBondContact O-NH2 3.11Å
448	D	83.1	Confident	89.3	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	32%	0.323	S	S	.	.	S	Bend	trans	-55.8	144.6	171.1	-178.6	-93.5	0	0	0	111.4	H445 S446 R450 M451 R452	H445-D448 WeakPolarHBondContact O-CB 3.08Å; H445-D448 PolarHBondContact O-N 3.12Å; H445-D448 VanDerWaalsContact O-N 3.16Å; S446-D448 VanDerWaalsContact C-N 3.26Å; S446-D448 PolarHBondContact O-N 2.93Å; D448-R450 PolarHBondContact O-N 3.39Å; D448-R450 WeakPolarHBondContact OD1-CB 3.17Å; D448-R450 WeakPolarHBondContact OD1-CG 2.82Å; D448-R450 PolarHBondContact OD1-N 2.87Å; D448-M451 HydrophobicContact CB-CE 4.4Å; D448-M451 PolarHBondContact O-N 2.94Å; D448-R452 WeakPolarHBondContact O-CB 3.38Å; D448-R452 PolarHBondContact O-N 3.37Å
449	L	81	Confident	89.2	Confident	95 Å²	95	62.1 Å²	62.1	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.6	-175.3	-72.5	168.2	0	0	0	113.8	D354 R452	D354-L449 HydrophobicContact CB-CD1 4.23Å; D354-L449 HydrophobicContact CB-CD2 3.74Å; L449-R452 VanDerWaalsContact CD2-CZ 3.47Å
450	R	80	Confident	89.2	Confident	231 Å²	231	61.8 Å²	61.8	87%	0.872	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.8	-179.5	-59.2	178.8	-170.2	-168.3	2.9	113	D448	D448-R450 PolarHBondContact O-N 3.39Å; D448-R450 WeakPolarHBondContact OD1-CB 3.17Å; D448-R450 WeakPolarHBondContact OD1-CG 2.82Å; D448-R450 PolarHBondContact OD1-N 2.87Å
451	M	82.7	Confident	89.2	Confident	87 Å²	87	61.2 Å²	61.2	43%	0.429	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-9.3	-174	-62.9	-170.5	-68.5	0	0	113.3	H445 D448 K453 T454 S457	H445-M451 WeakPolarHBondContact O-CE 3.35Å; D448-M451 HydrophobicContact CB-CE 4.4Å; D448-M451 PolarHBondContact O-N 2.94Å; M451-K453 PolarHBondContact O-N 3.19Å; M451-T454 HydrophobicContact CB-CG2 4.49Å; M451-T454 VanDerWaalsContact O-CB 3.28Å; M451-T454 WeakPolarHBondContact O-CB 3.16Å; M451-T454 VanDerWaalsContact O-CG2 3.24Å; M451-T454 WeakPolarHBondContact O-CG2 3.28Å; M451-T454 PolarHBondContact O-N 2.93Å; M451-T454 PolarHBondContact O-OG1 2.86Å; M451-S457 VanDerWaalsContact O-CB 3.3Å; M451-S457 WeakPolarHBondContact O-CB 3.24Å
452	R	82.5	Confident	89.4	Confident	58 Å²	58	58.3 Å²	58.3	22%	0.219	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.6	-170	-160	-179.8	-63.8	174.6	-5.5	115	T353 D354 D420 A447 D448 L449 S457	T353-R452 PolarHBondContact OG1-NH2 3.32Å; D354-R452 VanDerWaalsContact CG-NH1 3.27Å; D354-R452 IonicContact OD1-CZ 3.53Å; D354-R452 IonicContact OD1-NH1 2.8Å; D354-R452 PolarHBondContact OD1-NH1 2.97Å; D354-R452 IonicContact OD1-NH2 3.44Å; D354-R452 PolarHBondContact OD1-NH2 3.25Å; D354-R452 IonicContact OD2-NH1 3.79Å; D354-R452 PolarHBondContact OD2-NH1 2.87Å; D420-R452 IonicContact OD2-NH2 2.8Å; A447-R452 VanDerWaalsContact O-CZ 3.3Å; A447-R452 PolarHBondContact O-NE 3.2Å; A447-R452 PolarHBondContact O-NH2 3.11Å; D448-R452 WeakPolarHBondContact O-CB 3.38Å; D448-R452 PolarHBondContact O-N 3.37Å; L449-R452 VanDerWaalsContact CD2-CZ 3.47Å; R452-S457 WeakPolarHBondContact CA-OG 3.19Å; R452-S457 PolarHBondContact O-OG 2.81Å
453	K	83	Confident	89.6	Confident	179 Å²	179	56.6 Å²	56.6	78%	0.778	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	6.4	178	-67.1	-172.2	176.8	-174	0	113.6	V246 M451	V246-K453 WeakPolarHBondContact CB-O 3.5Å; V246-K453 WeakPolarHBondContact CG1-O 3.39Å; V246-K453 VanDerWaalsContact CG2-O 3.25Å; V246-K453 WeakPolarHBondContact CG2-O 3.37Å; M451-K453 PolarHBondContact O-N 3.19Å
454	T	89.8	Confident	89.7	Confident	62 Å²	62	56.2 Å²	56.2	38%	0.38	27%	0.269	S	S	.	.	S	Bend	trans	-81.6	154.8	176.2	64.3	0	0	0	0	111.5	M451 N456 S457 I458	M451-T454 HydrophobicContact CB-CG2 4.49Å; M451-T454 VanDerWaalsContact O-CB 3.28Å; M451-T454 WeakPolarHBondContact O-CB 3.16Å; M451-T454 VanDerWaalsContact O-CG2 3.24Å; M451-T454 WeakPolarHBondContact O-CG2 3.28Å; M451-T454 PolarHBondContact O-N 2.93Å; M451-T454 PolarHBondContact O-OG1 2.86Å; T454-N456 VanDerWaalsContact C-N 3.26Å; T454-N456 PolarHBondContact O-N 2.98Å; T454-S457 PolarHBondContact O-N 2.94Å; T454-S457 VanDerWaalsContact O-N 3.1Å; T454-S457 WeakPolarHBondContact OG1-CB 3.42Å; T454-S457 PolarHBondContact OG1-N 3.13Å; T454-I458 PolarHBondContact O-N 3.26Å
455	Y	90.8	Very high	90	Very high	73 Å²	73	56.1 Å²	56.1	29%	0.286	27%	0.269	S	S	.	.	H	α-helix	trans	-56.3	-43.1	179	-173.4	-80.4	0	0	0	111.7	V246 E249 W250 Q253 N254 S457 I458 N459	V246-Y455 VanDerWaalsContact CG1-CA 3.45Å; E249-Y455 HydrophobicContact CG-CE2 4.43Å; W250-Y455 HydrophobicContact CB-CD2 4.1Å; W250-Y455 HydrophobicContact CB-CE2 3.95Å; W250-Y455 AromaticContact CD1-CE1 3.83Å; W250-Y455 AromaticContact CD1-CE2 4Å; W250-Y455 AromaticContact CD1-CZ 3.8Å; W250-Y455 HydrophobicContact CG-CE2 4.36Å; Q253-Y455 PolarHBondContact OE1-OH 2.93Å; N254-Y455 PolarHBondContact ND2-OH 3.34Å; Y455-S457 PolarHBondContact O-N 3.37Å; Y455-I458 PolarHBondContact O-N 2.86Å; Y455-N459 WeakPolarHBondContact O-CB 3.32Å; Y455-N459 PolarHBondContact O-N 3.38Å
456	N	92.6	Very high	90.3	Very high	96 Å²	96	52.3 Å²	52.3	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-41.1	177.7	-174.5	49.3	0	0	0	112.3	T454 N459 N460	T454-N456 VanDerWaalsContact C-N 3.26Å; T454-N456 PolarHBondContact O-N 2.98Å; N456-N459 PolarHBondContact O-N 3.01Å; N456-N460 WeakPolarHBondContact O-CB 3.44Å; N456-N460 PolarHBondContact O-N 3.34Å; N456-N460 PolarHBondContact O-ND2 3.05Å
457	S	92.6	Very high	90.6	Very high	3 Å²	3	52 Å²	52	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-39.8	176.5	-179.6	0	0	0	0	112.4	S446 M451 R452 T454 Y455 N460 A461	S446-S457 VanDerWaalsContact O-CB 3.27Å; S446-S457 WeakPolarHBondContact O-CB 3.27Å; S446-S457 PolarHBondContact O-OG 2.99Å; M451-S457 VanDerWaalsContact O-CB 3.3Å; M451-S457 WeakPolarHBondContact O-CB 3.24Å; R452-S457 WeakPolarHBondContact CA-OG 3.19Å; R452-S457 PolarHBondContact O-OG 2.81Å; T454-S457 PolarHBondContact O-N 2.94Å; T454-S457 VanDerWaalsContact O-N 3.1Å; T454-S457 WeakPolarHBondContact OG1-CB 3.42Å; T454-S457 PolarHBondContact OG1-N 3.13Å; Y455-S457 PolarHBondContact O-N 3.37Å; S457-N460 PolarHBondContact O-N 3.09Å; S457-A461 WeakPolarHBondContact O-CB 3.36Å; S457-A461 PolarHBondContact O-N 3.49Å
458	I	91.8	Very high	91.2	Very high	12 Å²	12	51 Å²	51	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-47.9	176.5	-67.2	-177.9	0	0	0	109.9	V246 F247 W250 T454 Y455 N460 A461 I462	V246-I458 HydrophobicContact CB-CD1 3.97Å; V246-I458 HydrophobicContact CG1-CD1 3.77Å; F247-I458 HydrophobicContact CB-CD1 3.87Å; F247-I458 HydrophobicContact CD2-CD1 4.5Å; F247-I458 HydrophobicContact CD2-CG2 3.84Å; F247-I458 HydrophobicContact CE2-CG2 4.49Å; W250-I458 HydrophobicContact CB-CG2 3.96Å; W250-I458 HydrophobicContact CD2-CG2 3.85Å; W250-I458 HydrophobicContact CE3-CG2 4.33Å; W250-I458 HydrophobicContact CG-CB 4.43Å; W250-I458 HydrophobicContact CG-CG2 3.62Å; T454-I458 PolarHBondContact O-N 3.26Å; Y455-I458 PolarHBondContact O-N 2.86Å; I458-N460 VanDerWaalsContact C-N 3.31Å; I458-N460 PolarHBondContact O-N 3.32Å; I458-A461 PolarHBondContact O-N 3.11Å; I458-I462 HydrophobicContact CG2-CD1 3.79Å; I458-I462 WeakPolarHBondContact O-CG1 3.27Å; I458-I462 PolarHBondContact O-N 2.96Å
459	N	94.2	Very high	91.9	Very high	16 Å²	16	48.3 Å²	48.3	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-53.9	-48	175.6	-172.8	75.2	0	0	0	111.9	W250 F327 Y455 N456 I462 I463	W250-N459 VanDerWaalsContact NE1-CA 3.34Å; W250-N459 PolarHBondContact NE1-OD1 2.74Å; F327-N459 WeakPolarHBondContact CD2-OD1 3.25Å; F327-N459 WeakPolarHBondContact CE2-OD1 3.26Å; Y455-N459 WeakPolarHBondContact O-CB 3.32Å; Y455-N459 PolarHBondContact O-N 3.38Å; N456-N459 PolarHBondContact O-N 3.01Å; N459-I462 PolarHBondContact O-N 3.29Å; N459-I463 VanDerWaalsContact O-CG1 3.31Å; N459-I463 WeakPolarHBondContact O-CG1 3.26Å; N459-I463 PolarHBondContact O-N 3.23Å; N459-I463 VanDerWaalsContact O-N 3.07Å
460	N	94.9	Very high	92.6	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-42.8	179.2	-72.8	-21.8	0	0	0	112.9	R443 S446 N456 S457 I458 I462 I463 D464	R443-N460 HydrophobicContact CB-CB 4.05Å; R443-N460 HydrophobicContact CG-CB 3.67Å; S446-N460 PolarHBondContact OG-ND2 3.01Å; N456-N460 WeakPolarHBondContact O-CB 3.44Å; N456-N460 PolarHBondContact O-N 3.34Å; N456-N460 PolarHBondContact O-ND2 3.05Å; S457-N460 PolarHBondContact O-N 3.09Å; I458-N460 VanDerWaalsContact C-N 3.31Å; I458-N460 PolarHBondContact O-N 3.32Å; N460-I462 VanDerWaalsContact C-N 3.29Å; N460-I462 PolarHBondContact O-N 2Å; N460-I463 PolarHBondContact O-N 2.99Å; N460-D464 PolarHBondContact O-N 3.08Å
461	A	94.6	Very high	93.4	Very high	27 Å²	27	34.8 Å²	34.8	22%	0.223	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-38.8	177.7	0	0	0	0	0	111.9	F215 S457 I458 D464 V465	F215-A461 HydrophobicContact CD1-CB 4.36Å; S457-A461 WeakPolarHBondContact O-CB 3.36Å; S457-A461 PolarHBondContact O-N 3.49Å; I458-A461 PolarHBondContact O-N 3.11Å; A461-D464 PolarHBondContact O-N 3.45Å; A461-V465 WeakPolarHBondContact O-CG2 3.27Å; A461-V465 PolarHBondContact O-N 3.34Å
462	I	95.6	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.7	-39.2	179.3	-65.5	171.4	0	0	0	111.2	F215 F247 W250 F327 I458 N459 N460 D464 V465 I466	F215-I462 HydrophobicContact CD1-CG1 4.31Å; F215-I462 HydrophobicContact CD2-CD1 4.03Å; F215-I462 HydrophobicContact CD2-CG1 4.16Å; F215-I462 HydrophobicContact CE1-CG1 3.72Å; F215-I462 HydrophobicContact CE2-CD1 3.47Å; F215-I462 VanDerWaalsContact CE2-CD1 3.47Å; F215-I462 HydrophobicContact CE2-CG1 3.5Å; F215-I462 HydrophobicContact CZ-CD1 3.84Å; F215-I462 HydrophobicContact CZ-CG1 3.3Å; F247-I462 HydrophobicContact CE2-CD1 4.18Å; W250-I462 HydrophobicContact CD2-CD1 3.68Å; W250-I462 HydrophobicContact CE3-CD1 3.35Å; W250-I462 HydrophobicContact CH2-CB 4.2Å; W250-I462 HydrophobicContact CH2-CD1 3.24Å; W250-I462 HydrophobicContact CH2-CG1 4.25Å; W250-I462 HydrophobicContact CH2-CG2 3.75Å; W250-I462 HydrophobicContact CZ2-CB 4.14Å; W250-I462 HydrophobicContact CZ2-CD1 3.5Å; W250-I462 HydrophobicContact CZ2-CG1 4.39Å; W250-I462 HydrophobicContact CZ2-CG2 4.06Å; W250-I462 HydrophobicContact CZ3-CD1 3.15Å; W250-I462 HydrophobicContact CZ3-CG1 4.48Å; F327-I462 HydrophobicContact CE1-CG2 3.97Å; F327-I462 HydrophobicContact CZ-CB 4.22Å; F327-I462 HydrophobicContact CZ-CG2 3.73Å; I458-I462 HydrophobicContact CG2-CD1 3.79Å; I458-I462 WeakPolarHBondContact O-CG1 3.27Å; I458-I462 PolarHBondContact O-N 2.96Å; N459-I462 PolarHBondContact O-N 3.29Å; N460-I462 VanDerWaalsContact C-N 3.29Å; N460-I462 PolarHBondContact O-N 2Å; I462-D464 VanDerWaalsContact C-N 3.29Å; I462-D464 PolarHBondContact O-N 3.44Å; I462-V465 PolarHBondContact O-N 2.95Å; I462-I466 HydrophobicContact CG2-CD1 3.9Å; I462-I466 HydrophobicContact CG2-CG1 4.46Å; I462-I466 WeakPolarHBondContact O-CG1 2.87Å; I462-I466 PolarHBondContact O-N 2.85Å
463	I	96.9	Very high	94.7	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-42.6	171.9	-67.1	166.8	0	0	0	110.5	F327 L330 T334 N459 N460 I466 A467	F327-I463 HydrophobicContact CE2-CD1 4.04Å; F327-I463 HydrophobicContact CE2-CG1 3.67Å; F327-I463 HydrophobicContact CZ-CG1 3.92Å; L330-I463 HydrophobicContact CB-CD1 4.11Å; T334-I463 HydrophobicContact CG2-CG2 3.94Å; T334-I463 VanDerWaalsContact OG1-CG2 3.31Å; T334-I463 WeakPolarHBondContact OG1-CG2 3.33Å; N459-I463 VanDerWaalsContact O-CG1 3.31Å; N459-I463 WeakPolarHBondContact O-CG1 3.26Å; N459-I463 PolarHBondContact O-N 3.23Å; N459-I463 VanDerWaalsContact O-N 3.07Å; N460-I463 PolarHBondContact O-N 2.99Å; I463-I466 PolarHBondContact O-N 2.96Å; I463-A467 VanDerWaalsContact O-CB 3.23Å; I463-A467 WeakPolarHBondContact O-CB 3.09Å; I463-A467 PolarHBondContact O-N 3.42Å
464	D	97.2	Very high	95.5	Very high	16 Å²	16	22.7 Å²	22.7	9%	0.086	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-41.7	176.3	-80.6	-30.3	0	0	0	112.3	Y416 A418 R443 N460 A461 I462 A467 L468	Y416-D464 PolarHBondContact OH-OD1 3.17Å; A418-D464 HydrophobicContact CB-CB 3.95Å; R443-D464 IonicContact CZ-OD1 3.5Å; R443-D464 VanDerWaalsContact CZ-OD1 3.28Å; R443-D464 VanDerWaalsContact NE-CG 3.34Å; R443-D464 IonicContact NE-OD1 3.25Å; R443-D464 PolarHBondContact NE-OD1 2.97Å; R443-D464 IonicContact NE-OD2 3.64Å; R443-D464 PolarHBondContact NE-OD2 3.33Å; R443-D464 IonicContact NH2-OD1 3.44Å; R443-D464 PolarHBondContact NH2-OD1 3.34Å; N460-D464 PolarHBondContact O-N 3.08Å; A461-D464 PolarHBondContact O-N 3.45Å; I462-D464 VanDerWaalsContact C-N 3.29Å; I462-D464 PolarHBondContact O-N 3.44Å; D464-A467 PolarHBondContact O-N 2.86Å; D464-L468 WeakPolarHBondContact O-CB 3.35Å; D464-L468 WeakPolarHBondContact O-CG 3.06Å; D464-L468 PolarHBondContact O-N 3.1Å
465	V	97.8	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-49.5	174.3	165.1	0	0	0	0	111.6	F215 A461 I462 A467 L468 S469 I482 L485 A486 L489	F215-V465 HydrophobicContact CE1-CG2 4.15Å; A461-V465 WeakPolarHBondContact O-CG2 3.27Å; A461-V465 PolarHBondContact O-N 3.34Å; I462-V465 PolarHBondContact O-N 2.95Å; V465-A467 VanDerWaalsContact C-N 3.34Å; V465-A467 PolarHBondContact O-N 3.15Å; V465-L468 PolarHBondContact O-N 3.21Å; V465-S469 PolarHBondContact O-N 2.88Å; V465-I482 HydrophobicContact CG2-CB 4.49Å; V465-I482 HydrophobicContact CG2-CD1 4.35Å; V465-I482 HydrophobicContact CG2-CG2 3.59Å; V465-L485 HydrophobicContact CG1-CB 4.31Å; V465-L485 HydrophobicContact CG1-CD2 3.94Å; V465-L485 HydrophobicContact CG1-CG 3.83Å; V465-A486 HydrophobicContact CG1-CB 4.32Å; V465-L489 HydrophobicContact CG1-CD1 3.67Å
466	I	97.6	Very high	96.1	Very high	23 Å²	23	16.2 Å²	16.2	12%	0.118	9%	0.089	C	C	.	.	H	α-helix	trans	-66.5	-39	-180	-65.5	169.2	0	0	0	110.3	F327 I331 I462 I463 S469 M470	F327-I466 HydrophobicContact CE1-CD1 4.26Å; I331-I466 HydrophobicContact CD1-CD1 3.52Å; I331-I466 HydrophobicContact CG1-CD1 3.98Å; I331-I466 HydrophobicContact CG2-CG2 3.64Å; I462-I466 HydrophobicContact CG2-CD1 3.9Å; I462-I466 HydrophobicContact CG2-CG1 4.46Å; I462-I466 WeakPolarHBondContact O-CG1 2.87Å; I462-I466 PolarHBondContact O-N 2.85Å; I463-I466 PolarHBondContact O-N 2.96Å; I466-S469 PolarHBondContact O-N 3.05Å; I466-S469 PolarHBondContact O-OG 3.21Å; I466-M470 HydrophobicContact CG2-CG 4.39Å; I466-M470 WeakPolarHBondContact O-CB 3.12Å; I466-M470 WeakPolarHBondContact O-CG 3.45Å; I466-M470 PolarHBondContact O-N 2.91Å; I466-M470 VanDerWaalsContact O-N 3.15Å
467	A	97.7	Very high	96	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-64.2	-43.8	176.6	0	0	0	0	0	112	T334 L335 F338 Y416 I463 D464 V465 M470 T471	T334-A467 HydrophobicContact CG2-CB 3.93Å; L335-A467 HydrophobicContact CD2-CB 4.41Å; F338-A467 HydrophobicContact CE1-CB 4.06Å; F338-A467 HydrophobicContact CZ-CB 4.43Å; F338-A467 WeakPolarHBondContact CZ-O 3.32Å; Y416-A467 HydrophobicContact CD1-CB 4.3Å; Y416-A467 HydrophobicContact CD2-CB 4.47Å; Y416-A467 HydrophobicContact CE1-CB 3.56Å; Y416-A467 HydrophobicContact CE2-CB 3.74Å; Y416-A467 WeakPolarHBondContact OH-CB 3.4Å; I463-A467 VanDerWaalsContact O-CB 3.23Å; I463-A467 WeakPolarHBondContact O-CB 3.09Å; I463-A467 PolarHBondContact O-N 3.42Å; D464-A467 PolarHBondContact O-N 2.86Å; V465-A467 VanDerWaalsContact C-N 3.34Å; V465-A467 PolarHBondContact O-N 3.15Å; A467-M470 PolarHBondContact O-N 2.63Å; A467-M470 VanDerWaalsContact O-N 3.15Å; A467-T471 WeakPolarHBondContact O-CG2 3.31Å; A467-T471 PolarHBondContact O-N 3.41Å
468	L	98.3	Very high	95.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-45.6	173.9	-72.4	167.3	0	0	0	111.8	H349 Y416 A418 D464 V465 M470 T471 L474 A486	H349-L468 HydrophobicContact CB-CD1 3.82Å; H349-L468 HydrophobicContact CB-CD2 4.24Å; Y416-L468 HydrophobicContact CD1-CD2 3.94Å; Y416-L468 HydrophobicContact CD1-CG 4.3Å; Y416-L468 HydrophobicContact CE1-CD2 4.32Å; Y416-L468 HydrophobicContact CE1-CG 4.23Å; A418-L468 HydrophobicContact CB-CD1 3.8Å; A418-L468 HydrophobicContact CB-CD2 4.11Å; A418-L468 HydrophobicContact CB-CG 4.06Å; D464-L468 WeakPolarHBondContact O-CB 3.35Å; D464-L468 WeakPolarHBondContact O-CG 3.06Å; D464-L468 PolarHBondContact O-N 3.1Å; V465-L468 PolarHBondContact O-N 3.21Å; L468-M470 PolarHBondContact O-N 2.89Å; L468-T471 PolarHBondContact O-N 2.99Å; L468-T471 VanDerWaalsContact O-N 3.17Å; L468-T471 PolarHBondContact O-OG1 2.86Å; L468-L474 HydrophobicContact CB-CD1 4.1Å; L468-L474 HydrophobicContact CD2-CD1 3.84Å; L468-L474 HydrophobicContact CG-CD1 4.44Å; L468-A486 HydrophobicContact CB-CB 3.74Å; L468-A486 HydrophobicContact CD1-CB 4.32Å
469	S	97.8	Very high	95.6	Very high	6 Å²	6	12 Å²	12	4%	0.042	7%	0.066	C	C	.	.	H	α-helix	trans	-64.1	-21.2	178.5	75.2	0	0	0	0	113	V465 I466 A486 R493	V465-S469 PolarHBondContact O-N 2.88Å; I466-S469 PolarHBondContact O-N 3.05Å; I466-S469 PolarHBondContact O-OG 3.21Å; S469-A486 WeakPolarHBondContact CA-O 3.41Å; S469-A486 WeakPolarHBondContact CB-O 3.33Å; S469-R493 VanDerWaalsContact O-CD 3.25Å; S469-R493 WeakPolarHBondContact O-CD 3.48Å; S469-R493 PolarHBondContact O-NH1 2.84Å
470	M	96.8	Very high	95.4	Very high	43 Å²	43	11.3 Å²	11.3	21%	0.212	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.6	-179.8	-66.1	-59.1	-78.9	0	0	114.1	L335 F338 K339 I466 A467 L468 R493	L335-M470 HydrophobicContact CD1-CE 4.35Å; L335-M470 HydrophobicContact CD1-CG 4.13Å; L335-M470 HydrophobicContact CD2-CB 3.54Å; L335-M470 HydrophobicContact CD2-CG 3.78Å; F338-M470 HydrophobicContact CZ-CB 4.31Å; K339-M470 WeakPolarHBondContact CE-O 3.46Å; K339-M470 PolarHBondContact NZ-O 3.47Å; K339-M470 VanDerWaalsContact NZ-O 3.17Å; I466-M470 HydrophobicContact CG2-CG 4.39Å; I466-M470 WeakPolarHBondContact O-CB 3.12Å; I466-M470 WeakPolarHBondContact O-CG 3.45Å; I466-M470 PolarHBondContact O-N 2.91Å; I466-M470 VanDerWaalsContact O-N 3.15Å; A467-M470 PolarHBondContact O-N 2.63Å; A467-M470 VanDerWaalsContact O-N 3.15Å; L468-M470 PolarHBondContact O-N 2.89Å; M470-R493 VanDerWaalsContact CA-NH1 3.26Å; M470-R493 PolarHBondContact O-NH1 3.18Å; M470-R493 VanDerWaalsContact SD-CD 3.6Å; M470-R493 HydrophobicContact SD-CG 4.21Å
471	T	97.1	Very high	95.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-84.1	168.1	172.2	62.7	0	0	0	0	113	F338 V345 G347 A467 L468 F473 R493	F338-T471 HydrophobicContact CE2-CG2 4.17Å; F338-T471 HydrophobicContact CZ-CG2 4.43Å; V345-T471 HydrophobicContact CG1-CG2 4.37Å; V345-T471 WeakPolarHBondContact O-CB 3.46Å; G347-T471 PolarHBondContact N-OG1 3.44Å; A467-T471 WeakPolarHBondContact O-CG2 3.31Å; A467-T471 PolarHBondContact O-N 3.41Å; L468-T471 PolarHBondContact O-N 2.99Å; L468-T471 VanDerWaalsContact O-N 3.17Å; L468-T471 PolarHBondContact O-OG1 2.86Å; T471-F473 PolarHBondContact OG1-O 2.88Å; T471-R493 PolarHBondContact O-NH1 3.31Å
472	D	95.7	Very high	95.1	Very high	50 Å²	50	12 Å²	12	27%	0.267	6%	0.062	S	C	.	.	S	Bend	trans	-83	-19.9	-177.5	-58.9	-76.7	0	0	0	113.4	P344 V345 F375	P344-D472 VanDerWaalsContact CA-OD2 3.26Å; P344-D472 WeakPolarHBondContact CA-OD2 3.39Å; P344-D472 HydrophobicContact CB-CB 4.38Å; V345-D472 PolarHBondContact N-OD2 3.36Å; V345-D472 PolarHBondContact O-N 3.03Å; F375-D472 HydrophobicContact CZ-CB 4.2Å
473	F	96.9	Very high	95.1	Very high	19 Å²	19	12 Å²	12	8%	0.083	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	143	175.5	-166.3	-106.9	0	0	0	109.2	V346 G347 F375 T471 V475 Q502 L503 H505	V346-F473 CarbonylContact C-O 3.57Å; V346-F473 WeakPolarHBondContact CA-O 3.33Å; V346-F473 HydrophobicContact CG1-CB 4.32Å; V346-F473 HydrophobicContact CG1-CD1 4.15Å; V346-F473 WeakPolarHBondContact CG1-O 3.39Å; V346-F473 HydrophobicContact CG2-CB 4.29Å; G347-F473 PolarHBondContact N-O 2.83Å; F375-F473 HydrophobicContact CB-CD1 4.01Å; F375-F473 HydrophobicContact CB-CE1 4.3Å; F375-F473 HydrophobicContact CB-CG 4.4Å; F375-F473 HydrophobicContact CD1-CB 4.28Å; F375-F473 HydrophobicContact CD2-CB 3.61Å; F375-F473 AromaticContact CD2-CD1 4Å; F375-F473 HydrophobicContact CD2-CD1 4Å; F375-F473 AromaticContact CD2-CD2 3.72Å; F375-F473 HydrophobicContact CD2-CD2 3.72Å; F375-F473 HydrophobicContact CD2-CE2 4.38Å; F375-F473 AromaticContact CD2-CG 3.51Å; F375-F473 HydrophobicContact CD2-CG 3.51Å; F375-F473 HydrophobicContact CE1-CB 4.11Å; F375-F473 HydrophobicContact CE2-CB 3.48Å; F375-F473 VanDerWaalsContact CE2-CB 3.48Å; F375-F473 AromaticContact CE2-CD2 3.98Å; F375-F473 HydrophobicContact CE2-CD2 3.98Å; F375-F473 AromaticContact CE2-CG 3.84Å; F375-F473 HydrophobicContact CE2-CG 3.84Å; F375-F473 HydrophobicContact CG-CB 4Å; F375-F473 HydrophobicContact CG-CD1 4.05Å; F375-F473 AromaticContact CG-CG 3.97Å; F375-F473 HydrophobicContact CG-CG 3.97Å; F375-F473 HydrophobicContact CZ-CB 3.7Å; T471-F473 PolarHBondContact OG1-O 2.88Å; F473-V475 HydrophobicContact CD1-CG2 3.79Å; F473-V475 HydrophobicContact CE1-CG2 3.77Å; F473-Q502 WeakPolarHBondContact CE2-O 3.35Å; F473-L503 CarbonylContact C-O 3.55Å; F473-L503 WeakPolarHBondContact CA-O 3.4Å; F473-L503 VanDerWaalsContact CD2-C 3.4Å; F473-L503 HydrophobicContact CD2-CB 4.39Å; F473-L503 WeakPolarHBondContact CD2-O 3.43Å; F473-L503 VanDerWaalsContact CE2-C 3.5Å; F473-H505 HydrophobicContact CE1-CB 3.9Å; F473-H505 HydrophobicContact CZ-CB 3.85Å
474	L	98	Very high	94.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	-179.8	-177.8	60.4	0	0	0	111	G347 L468 A486 M490 L503 C504 H505	G347-L474 CarbonylContact O-C 3.54Å; G347-L474 WeakPolarHBondContact O-CA 3.36Å; L468-L474 HydrophobicContact CB-CD1 4.1Å; L468-L474 HydrophobicContact CD2-CD1 3.84Å; L468-L474 HydrophobicContact CG-CD1 4.44Å; L474-A486 HydrophobicContact CD2-CB 4.04Å; L474-M490 HydrophobicContact CB-CE 3.91Å; L474-L503 PolarHBondContact N-O 3.22Å; L474-C504 HydrophobicContact CB-CB 4.12Å; L474-C504 CarbonylContact O-C 3.49Å; L474-C504 VanDerWaalsContact O-CA 3.23Å; L474-C504 WeakPolarHBondContact O-CA 3.12Å; L474-C504 PolarHBondContact O-SG 2.77Å; L474-C504 VanDerWaalsContact O-SG 3.41Å; L474-H505 PolarHBondContact O-N 3.01Å
475	V	97.8	Very high	94.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.2	173.2	-175.2	0	0	0	0	109.3	V346 G347 V348 H349 Y368 Q371 V372 F473 H505 I507	V346-V475 HydrophobicContact CG1-CG2 3.79Å; G347-V475 PolarHBondContact O-N 3.25Å; V348-V475 WeakPolarHBondContact CA-O 3.42Å; V348-V475 HydrophobicContact CG2-CB 4.42Å; H349-V475 PolarHBondContact N-O 2.7Å; Y368-V475 HydrophobicContact CD1-CG1 4.1Å; Q371-V475 HydrophobicContact CB-CG1 3.88Å; Q371-V475 HydrophobicContact CB-CG2 4.11Å; Q371-V475 HydrophobicContact CG-CG1 4.34Å; V372-V475 HydrophobicContact CG2-CG2 4.11Å; F473-V475 HydrophobicContact CD1-CG2 3.79Å; F473-V475 HydrophobicContact CE1-CG2 3.77Å; V475-H505 VanDerWaalsContact CA-O 3.32Å; V475-H505 WeakPolarHBondContact CA-O 3.39Å; V475-I507 HydrophobicContact CG1-CG2 4.37Å
476	C	96.2	Very high	94.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-165.1	-173.8	74.3	0	0	0	0	113.3	H349 C483 H505 S506 I507	H349-C476 HydrophobicContact CB-CB 3.88Å; C476-C483 HydrophobicContact CB-CB 3.51Å; C476-C483 WeakPolarHBondContact CB-SG 3.45Å; C476-C483 WeakPolarHBondContact SG-CB 3.44Å; C476-C483 CovalentContact SG-SG 1.98Å; C476-C483 PolarHBondContact SG-SG 3.48Å; C476-H505 PolarHBondContact N-O 3.49Å; C476-S506 CarbonylContact O-C 3.59Å; C476-S506 VanDerWaalsContact O-CA 3.25Å; C476-S506 WeakPolarHBondContact O-CA 3.33Å; C476-I507 PolarHBondContact O-N 3.49Å
477	T	91.5	Very high	94.8	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	6%	0.056	C	C	.	.			trans	-113.5	126.3	163	44.7	0	0	0	0	110.1	Y368 S479 S480 I507 D508	Y368-T477 HydrophobicContact CE1-CG2 4.48Å; T477-S479 VanDerWaalsContact C-N 3.28Å; T477-S479 PolarHBondContact O-N 3.34Å; T477-S480 WeakPolarHBondContact O-CB 3.48Å; T477-S480 PolarHBondContact O-N 3.24Å; T477-S480 VanDerWaalsContact O-N 3.1Å; T477-I507 HydrophobicContact CG2-CD1 3.9Å; T477-I507 HydrophobicContact CG2-CG1 3.46Å; T477-I507 VanDerWaalsContact CG2-CG1 3.46Å; T477-D508 VanDerWaalsContact CA-OD1 3.3Å; T477-D508 WeakPolarHBondContact CA-OD1 3.36Å; T477-D508 VanDerWaalsContact CB-OD2 3.22Å; T477-D508 WeakPolarHBondContact CB-OD2 3.4Å; T477-D508 HydrophobicContact CG2-CB 4.14Å
478	F	89.3	Confident	94.7	Very high	14 Å²	14	11.8 Å²	11.8	6%	0.061	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.2	178.1	-76.2	-37.1	0	0	0	113.8	S480 C483 R484 Y487 C504 S506 D508 F509 F511	F478-S480 PolarHBondContact O-N 2.69Å; F478-S480 VanDerWaalsContact O-N 3.16Å; F478-C483 HydrophobicContact CD1-CB 4.4Å; F478-R484 HydrophobicContact CB-CG 4.33Å; F478-R484 HydrophobicContact CD1-CG 3.9Å; F478-R484 HydrophobicContact CG-CG 4.43Å; F478-Y487 HydrophobicContact CE1-CD1 4.24Å; F478-Y487 HydrophobicContact CE1-CG 4.15Å; F478-Y487 HydrophobicContact CZ-CD1 4.07Å; F478-Y487 HydrophobicContact CZ-CE1 4.41Å; F478-Y487 HydrophobicContact CZ-CG 4.08Å; F478-C504 HydrophobicContact CZ-CB 4.17Å; F478-C504 WeakPolarHBondContact CZ-SG 3.36Å; F478-S506 WeakPolarHBondContact CD2-OG 3.01Å; F478-S506 VanDerWaalsContact CE2-CB 3.47Å; F478-S506 PolarHBondContact N-OG 2.92Å; F478-D508 PolarHBondContact N-OD1 3.49Å; F478-F509 WeakPolarHBondContact CD2-O 3.33Å; F478-F511 AromaticContact CD1-CD2 3.84Å; F478-F511 HydrophobicContact CD1-CD2 3.84Å; F478-F511 HydrophobicContact CD2-CB 3.6Å; F478-F511 HydrophobicContact CD2-CD2 4.21Å; F478-F511 HydrophobicContact CD2-CG 4.4Å; F478-F511 HydrophobicContact CE1-CB 4.48Å; F478-F511 AromaticContact CE1-CD2 3.61Å; F478-F511 HydrophobicContact CE1-CD2 3.61Å; F478-F511 HydrophobicContact CE1-CE2 4.45Å; F478-F511 VanDerWaalsContact CE2-CA 3.42Å; F478-F511 HydrophobicContact CE2-CB 3.3Å; F478-F511 HydrophobicContact CE2-CD2 4.01Å; F478-F511 HydrophobicContact CE2-CG 4.14Å; F478-F511 HydrophobicContact CG-CB 4.32Å; F478-F511 HydrophobicContact CG-CD2 4.13Å; F478-F511 HydrophobicContact CZ-CB 3.76Å; F478-F511 AromaticContact CZ-CD2 3.67Å; F478-F511 HydrophobicContact CZ-CD2 3.67Å; F478-F511 HydrophobicContact CZ-CG 4.15Å
479	S	85.8	Confident	94.6	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.028	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.2	160.5	59.3	0	0	0	0	112.2	K355 T477 D508	K355-S479 WeakPolarHBondContact CE-O 3.35Å; K355-S479 PolarHBondContact NZ-O 3.49Å; T477-S479 VanDerWaalsContact C-N 3.28Å; T477-S479 PolarHBondContact O-N 3.34Å; S479-D508 WeakPolarHBondContact CB-OD2 3.44Å; S479-D508 PolarHBondContact N-OD2 2.05Å; S479-D508 PolarHBondContact OG-OD2 2.77Å
480	S	90.2	Very high	94.6	Very high	3 Å²	3	12 Å²	12	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	-86.9	119.4	174.7	-176.1	0	0	0	0	112.5	H349 T477 F478 I482 C483 R484	H349-S480 PolarHBondContact CE1-OG 3.06Å; H349-S480 VanDerWaalsContact CE1-OG 3.22Å; T477-S480 WeakPolarHBondContact O-CB 3.48Å; T477-S480 PolarHBondContact O-N 3.24Å; T477-S480 VanDerWaalsContact O-N 3.1Å; F478-S480 PolarHBondContact O-N 2.69Å; F478-S480 VanDerWaalsContact O-N 3.16Å; S480-I482 PolarHBondContact O-N 3.34Å; S480-I482 VanDerWaalsContact O-N 3.14Å; S480-I482 PolarHBondContact OG-N 2.79Å; S480-C483 PolarHBondContact O-N 3.45Å; S480-R484 PolarHBondContact O-N 3.37Å; S480-R484 VanDerWaalsContact O-N 3.17Å
481	N	89.6	Confident	94.6	Very high	31 Å²	31	10 Å²	10	17%	0.166	5%	0.05	C	C	.	.	H	α-helix	trans	-55	-30.6	169.8	-70.9	-66.1	0	0	0	113.3	H220 R484 L485	H220-N481 PolarHBondContact CE1-O 3.25Å; H220-N481 VanDerWaalsContact CE1-O 3.23Å; H220-N481 PolarHBondContact CE1-OD1 2.89Å; H220-N481 PolarHBondContact ND1-OD1 3.24Å; N481-R484 PolarHBondContact O-N 2.99Å; N481-R484 PolarHBondContact OD1-NH2 3.45Å; N481-L485 WeakPolarHBondContact O-CB 3.45Å; N481-L485 PolarHBondContact O-N 2.97Å
482	I	93.4	Very high	94.6	Very high	31 Å²	31	12 Å²	12	16%	0.159	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-42.2	177.1	-60	-59.6	0	0	0	111	F215 H349 V465 S480 A486	F215-I482 HydrophobicContact CD1-CD1 3.59Å; F215-I482 HydrophobicContact CE1-CD1 3.95Å; H349-I482 WeakPolarHBondContact NE2-CG2 3.15Å; V465-I482 HydrophobicContact CG2-CB 4.49Å; V465-I482 HydrophobicContact CG2-CD1 4.35Å; V465-I482 HydrophobicContact CG2-CG2 3.59Å; S480-I482 PolarHBondContact O-N 3.34Å; S480-I482 VanDerWaalsContact O-N 3.14Å; S480-I482 PolarHBondContact OG-N 2.79Å; I482-A486 PolarHBondContact O-N 2.8Å; I482-A486 VanDerWaalsContact O-N 3.14Å
483	C	94.9	Very high	94.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-71	-42.4	178.5	-175.1	0	0	0	0	111.7	C476 F478 S480 L485 A486 Y487	C476-C483 HydrophobicContact CB-CB 3.51Å; C476-C483 WeakPolarHBondContact CB-SG 3.45Å; C476-C483 WeakPolarHBondContact SG-CB 3.44Å; C476-C483 CovalentContact SG-SG 1.98Å; C476-C483 PolarHBondContact SG-SG 3.48Å; F478-C483 HydrophobicContact CD1-CB 4.4Å; S480-C483 PolarHBondContact O-N 3.45Å; C483-L485 VanDerWaalsContact C-N 3.31Å; C483-L485 PolarHBondContact O-N 3.44Å; C483-A486 PolarHBondContact O-N 2.8Å; C483-A486 VanDerWaalsContact O-N 3.15Å; C483-Y487 PolarHBondContact O-N 2.83Å
484	R	93.5	Very high	94.4	Very high	23 Å²	23	9.5 Å²	9.5	9%	0.087	5%	0.048	C	C	.	.	H	α-helix	trans	-57	-46.7	177.1	-70.2	-160.6	-63	-162.8	-16.1	111.9	F478 S480 N481 A486 Y487 E488 F511 E514	F478-R484 HydrophobicContact CB-CG 4.33Å; F478-R484 HydrophobicContact CD1-CG 3.9Å; F478-R484 HydrophobicContact CG-CG 4.43Å; S480-R484 PolarHBondContact O-N 3.37Å; S480-R484 VanDerWaalsContact O-N 3.17Å; N481-R484 PolarHBondContact O-N 2.99Å; N481-R484 PolarHBondContact OD1-NH2 3.45Å; R484-A486 VanDerWaalsContact C-N 3.32Å; R484-A486 PolarHBondContact O-N 2.88Å; R484-Y487 PolarHBondContact O-N 2.91Å; R484-Y487 VanDerWaalsContact O-N 3.12Å; R484-E488 WeakPolarHBondContact O-CB 3.31Å; R484-E488 VanDerWaalsContact O-CG 3.25Å; R484-E488 WeakPolarHBondContact O-CG 3.39Å; R484-E488 PolarHBondContact O-N 3.28Å; R484-F511 HydrophobicContact CB-CE2 3.74Å; R484-F511 HydrophobicContact CG-CD2 4.04Å; R484-F511 HydrophobicContact CG-CE2 3.67Å; R484-E514 IonicContact CZ-OE2 3.78Å; R484-E514 IonicContact NH1-OE2 3.61Å; R484-E514 PolarHBondContact NH1-OE2 3.37Å; R484-E514 IonicContact NH2-OE1 3.21Å; R484-E514 IonicContact NH2-OE2 2.74Å; R484-E514 PolarHBondContact NH2-OE2 2.88Å
485	L	95.4	Very high	94	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-40	177.1	-175.7	60.9	0	0	0	112.3	F215 M219 M223 A317 V465 N481 C483 E488 L489	F215-L485 HydrophobicContact CE1-CD2 3.93Å; F215-L485 HydrophobicContact CZ-CD2 3.64Å; M219-L485 HydrophobicContact CB-CD2 4.01Å; M219-L485 HydrophobicContact CE-CD1 4.47Å; M219-L485 HydrophobicContact CG-CD2 4Å; M223-L485 HydrophobicContact SD-CD1 3.93Å; A317-L485 HydrophobicContact CB-CD1 3.93Å; V465-L485 HydrophobicContact CG1-CB 4.31Å; V465-L485 HydrophobicContact CG1-CD2 3.94Å; V465-L485 HydrophobicContact CG1-CG 3.83Å; N481-L485 WeakPolarHBondContact O-CB 3.45Å; N481-L485 PolarHBondContact O-N 2.97Å; C483-L485 VanDerWaalsContact C-N 3.31Å; C483-L485 PolarHBondContact O-N 3.44Å; L485-E488 PolarHBondContact O-N 2.89Å; L485-L489 HydrophobicContact CD1-CD1 4.49Å; L485-L489 HydrophobicContact CG-CD1 4.28Å; L485-L489 WeakPolarHBondContact O-CB 3.45Å; L485-L489 WeakPolarHBondContact O-CG 3.36Å; L485-L489 PolarHBondContact O-N 2.93Å
486	A	97.8	Very high	93.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-40.4	175.1	0	0	0	0	0	112.2	V465 L468 S469 L474 I482 C483 R484 M490	V465-A486 HydrophobicContact CG1-CB 4.32Å; L468-A486 HydrophobicContact CB-CB 3.74Å; L468-A486 HydrophobicContact CD1-CB 4.32Å; S469-A486 WeakPolarHBondContact CA-O 3.41Å; S469-A486 WeakPolarHBondContact CB-O 3.33Å; L474-A486 HydrophobicContact CD2-CB 4.04Å; I482-A486 PolarHBondContact O-N 2.8Å; I482-A486 VanDerWaalsContact O-N 3.14Å; C483-A486 PolarHBondContact O-N 2.8Å; C483-A486 VanDerWaalsContact O-N 3.15Å; R484-A486 VanDerWaalsContact C-N 3.32Å; R484-A486 PolarHBondContact O-N 2.88Å; A486-M490 WeakPolarHBondContact O-CB 3.25Å; A486-M490 PolarHBondContact O-N 3.3Å
487	Y	96.6	Very high	93.3	Very high	7 Å²	7	22.7 Å²	22.7	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-69.1	-39.6	176.6	174.5	-112.8	0	0	0	112.7	V310 F478 C483 R484 M490 Q491 T501 C504 F511	V310-Y487 HydrophobicContact CB-CE1 4.4Å; V310-Y487 HydrophobicContact CG1-CD1 3.69Å; V310-Y487 HydrophobicContact CG1-CE1 3.43Å; V310-Y487 VanDerWaalsContact CG1-CE1 3.43Å; V310-Y487 HydrophobicContact CG2-CE1 4.34Å; F478-Y487 HydrophobicContact CE1-CD1 4.24Å; F478-Y487 HydrophobicContact CE1-CG 4.15Å; F478-Y487 HydrophobicContact CZ-CD1 4.07Å; F478-Y487 HydrophobicContact CZ-CE1 4.41Å; F478-Y487 HydrophobicContact CZ-CG 4.08Å; C483-Y487 PolarHBondContact O-N 2.83Å; R484-Y487 PolarHBondContact O-N 2.91Å; R484-Y487 VanDerWaalsContact O-N 3.12Å; Y487-M490 WeakPolarHBondContact O-CB 3.39Å; Y487-M490 PolarHBondContact O-N 2.83Å; Y487-Q491 WeakPolarHBondContact O-CG 3.27Å; Y487-Q491 PolarHBondContact O-N 3.48Å; Y487-Q491 PolarHBondContact O-NE2 3.44Å; Y487-T501 VanDerWaalsContact OH-CA 3.31Å; Y487-T501 WeakPolarHBondContact OH-CA 3.44Å; Y487-T501 PolarHBondContact OH-O 3.16Å; Y487-C504 HydrophobicContact CD2-CB 3.32Å; Y487-C504 HydrophobicContact CE2-CB 3.52Å; Y487-C504 HydrophobicContact CG-CB 4.22Å; Y487-F511 HydrophobicContact CD1-CD1 4.35Å; Y487-F511 AromaticContact CD1-CD2 3.24Å; Y487-F511 HydrophobicContact CD1-CD2 3.24Å; Y487-F511 HydrophobicContact CD1-CE1 4.5Å; Y487-F511 AromaticContact CD1-CE2 3.36Å; Y487-F511 HydrophobicContact CD1-CE2 3.36Å; Y487-F511 AromaticContact CD1-CG 3.77Å; Y487-F511 HydrophobicContact CD1-CG 3.77Å; Y487-F511 HydrophobicContact CD1-CZ 4.02Å; Y487-F511 HydrophobicContact CE1-CB 4.08Å; Y487-F511 AromaticContact CE1-CD1 3.93Å; Y487-F511 HydrophobicContact CE1-CD1 3.93Å; Y487-F511 AromaticContact CE1-CD2 3.55Å; Y487-F511 HydrophobicContact CE1-CD2 3.55Å; Y487-F511 HydrophobicContact CE1-CE1 4.34Å; Y487-F511 AromaticContact CE1-CE2 3.93Å; Y487-F511 HydrophobicContact CE1-CE2 3.93Å; Y487-F511 AromaticContact CE1-CG 3.53Å; Y487-F511 HydrophobicContact CE1-CG 3.53Å; Y487-F511 HydrophobicContact CE1-CZ 4.31Å; Y487-F511 HydrophobicContact CG-CD2 4.28Å; Y487-F511 HydrophobicContact CG-CE2 4.43Å
488	E	95.8	Very high	93.2	Very high	13 Å²	13	22.6 Å²	22.6	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-48.3	173.5	-71.2	160.8	-178	0	0	110.9	H220 M223 V310 A313 G314 R484 L485 M490 Q491 F511	H220-E488 IonicContact CD2-OE1 3.8Å; H220-E488 IonicContact CD2-OE2 3.49Å; H220-E488 PolarHBondContact CD2-OE2 3.45Å; H220-E488 IonicContact NE2-OE1 3.56Å; H220-E488 PolarHBondContact NE2-OE1 2.89Å; H220-E488 IonicContact NE2-OE2 2.77Å; H220-E488 PolarHBondContact NE2-OE2 3.15Å; H220-E488 VanDerWaalsContact NE2-OE2 3.17Å; M223-E488 VanDerWaalsContact CE-OE2 3.27Å; M223-E488 WeakPolarHBondContact CE-OE2 3.46Å; V310-E488 HydrophobicContact CG1-CG 4.04Å; A313-E488 HydrophobicContact CB-CG 4.12Å; G314-E488 WeakPolarHBondContact CA-O 3.49Å; R484-E488 WeakPolarHBondContact O-CB 3.31Å; R484-E488 VanDerWaalsContact O-CG 3.25Å; R484-E488 WeakPolarHBondContact O-CG 3.39Å; R484-E488 PolarHBondContact O-N 3.28Å; L485-E488 PolarHBondContact O-N 2.89Å; E488-M490 VanDerWaalsContact C-N 3.28Å; E488-M490 PolarHBondContact O-N 2.86Å; E488-Q491 WeakPolarHBondContact O-CB 3.25Å; E488-Q491 PolarHBondContact O-N 3.18Å; E488-Q491 VanDerWaalsContact O-N 3.1Å; E488-F511 HydrophobicContact CG-CE2 4.32Å; E488-F511 HydrophobicContact CG-CZ 3.91Å
489	L	97.8	Very high	93.3	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-34	175.2	-74.7	169	0	0	0	112.5	A317 L321 V465 L485 Q491 T492	A317-L489 HydrophobicContact CB-CD2 3.71Å; A317-L489 HydrophobicContact CB-CG 4.16Å; L321-L489 HydrophobicContact CD1-CD1 3.93Å; L321-L489 HydrophobicContact CD1-CD2 4.38Å; V465-L489 HydrophobicContact CG1-CD1 3.67Å; L485-L489 HydrophobicContact CD1-CD1 4.49Å; L485-L489 HydrophobicContact CG-CD1 4.28Å; L485-L489 WeakPolarHBondContact O-CB 3.45Å; L485-L489 WeakPolarHBondContact O-CG 3.36Å; L485-L489 PolarHBondContact O-N 2.93Å; L489-Q491 PolarHBondContact O-N 3.36Å; L489-T492 WeakPolarHBondContact O-CB 3.25Å; L489-T492 PolarHBondContact O-N 3.44Å; L489-T492 PolarHBondContact O-OG1 2.95Å
490	M	97.6	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.7	-32.4	175.8	-178.2	-178.2	-76.9	0	0	111.6	L474 A486 Y487 E488 T492 R493 F497 A500 L503	L474-M490 HydrophobicContact CB-CE 3.91Å; A486-M490 WeakPolarHBondContact O-CB 3.25Å; A486-M490 PolarHBondContact O-N 3.3Å; Y487-M490 WeakPolarHBondContact O-CB 3.39Å; Y487-M490 PolarHBondContact O-N 2.83Å; E488-M490 VanDerWaalsContact C-N 3.28Å; E488-M490 PolarHBondContact O-N 2.86Å; M490-T492 PolarHBondContact O-N 3.27Å; M490-T492 VanDerWaalsContact O-N 3.09Å; M490-R493 WeakPolarHBondContact O-CB 3.2Å; M490-R493 PolarHBondContact O-N 3.35Å; M490-R493 VanDerWaalsContact O-N 3.09Å; M490-F497 HydrophobicContact CG-CE2 4.4Å; M490-A500 HydrophobicContact CG-CB 4.02Å; M490-A500 HydrophobicContact SD-CB 4.48Å; M490-L503 HydrophobicContact SD-CB 3.85Å
491	Q	96	Very high	93.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16	178	-52	-44.2	-57.6	0	0	113.2	H305 V310 W311 Y487 E488 L489 R493 H494 A500	H305-Q491 PolarHBondContact CE1-OE1 3.13Å; H305-Q491 VanDerWaalsContact CE1-OE1 3.28Å; H305-Q491 PolarHBondContact NE2-OE1 3.25Å; V310-Q491 HydrophobicContact CB-CG 4.26Å; V310-Q491 HydrophobicContact CG1-CG 3.6Å; W311-Q491 HydrophobicContact CB-CB 4.45Å; Y487-Q491 WeakPolarHBondContact O-CG 3.27Å; Y487-Q491 PolarHBondContact O-N 3.48Å; Y487-Q491 PolarHBondContact O-NE2 3.44Å; E488-Q491 WeakPolarHBondContact O-CB 3.25Å; E488-Q491 PolarHBondContact O-N 3.18Å; E488-Q491 VanDerWaalsContact O-N 3.1Å; L489-Q491 PolarHBondContact O-N 3.36Å; Q491-R493 VanDerWaalsContact C-N 3.26Å; Q491-R493 PolarHBondContact O-N 2.93Å; Q491-H494 PolarHBondContact O-CD2 3.09Å; Q491-H494 PolarHBondContact O-NE2 3.26Å; Q491-A500 PolarHBondContact NE2-O 3.24Å
492	T	97.1	Very high	93.6	Very high	40 Å²	40	27.1 Å²	27.1	25%	0.245	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.2	177.5	71.5	0	0	0	0	113.7	G314 L489 M490 H494	G314-T492 VanDerWaalsContact C-CG2 3.47Å; G314-T492 VanDerWaalsContact O-CG2 3.26Å; G314-T492 WeakPolarHBondContact O-CG2 3.34Å; L489-T492 WeakPolarHBondContact O-CB 3.25Å; L489-T492 PolarHBondContact O-N 3.44Å; L489-T492 PolarHBondContact O-OG1 2.95Å; M490-T492 PolarHBondContact O-N 3.27Å; M490-T492 VanDerWaalsContact O-N 3.09Å; T492-H494 WeakPolarHBondContact CA-NE2 3.35Å; T492-H494 PolarHBondContact O-CE1 3.37Å; T492-H494 VanDerWaalsContact O-CE1 3.22Å; T492-H494 PolarHBondContact O-N 3.38Å; T492-H494 VanDerWaalsContact O-N 3.08Å; T492-H494 PolarHBondContact O-ND1 3.18Å
493	R	95.5	Very high	93.6	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	13%	0.133	C	C	.	.			trans	-86.9	45.6	-177.6	-63.1	175.3	67.2	-158.4	-6.1	112.3	S469 M470 T471 M490 Q491 M495 E496 F497	S469-R493 VanDerWaalsContact O-CD 3.25Å; S469-R493 WeakPolarHBondContact O-CD 3.48Å; S469-R493 PolarHBondContact O-NH1 2.84Å; M470-R493 VanDerWaalsContact CA-NH1 3.26Å; M470-R493 PolarHBondContact O-NH1 3.18Å; M470-R493 VanDerWaalsContact SD-CD 3.6Å; M470-R493 HydrophobicContact SD-CG 4.21Å; T471-R493 PolarHBondContact O-NH1 3.31Å; M490-R493 WeakPolarHBondContact O-CB 3.2Å; M490-R493 PolarHBondContact O-N 3.35Å; M490-R493 VanDerWaalsContact O-N 3.09Å; Q491-R493 VanDerWaalsContact C-N 3.26Å; Q491-R493 PolarHBondContact O-N 2.93Å; R493-M495 PolarHBondContact O-N 3.12Å; R493-E496 HydrophobicContact CB-CB 4.4Å; R493-E496 IonicContact CZ-OE1 2.7Å; R493-E496 IonicContact CZ-OE2 3.45Å; R493-E496 IonicContact NE-OE1 3.23Å; R493-E496 PolarHBondContact NE-OE1 3.49Å; R493-E496 IonicContact NE-OE2 2.73Å; R493-E496 VanDerWaalsContact NH2-CD 3.26Å; R493-E496 IonicContact NH2-OE1 3.48Å; R493-E496 PolarHBondContact NH2-OE1 3.4Å; R493-E496 IonicContact NH2-OE2 3.4Å; R493-E496 PolarHBondContact NH2-OE2 2.82Å; R493-E496 PolarHBondContact O-N 3.48Å; R493-F497 HydrophobicContact CB-CD2 4Å; R493-F497 HydrophobicContact CB-CE2 4.35Å; R493-F497 PolarHBondContact O-N 2.93Å
494	H	92.2	Very high	93.6	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-35.3	-175.8	-25.1	104.1	0	0	0	112.5	I176 L179 S183 W311 Q315 Q491 T492 E496 G498	I176-H494 WeakPolarHBondContact CG1-O 3.34Å; L179-H494 HydrophobicContact CB-CB 3.73Å; S183-H494 VanDerWaalsContact CB-CE1 3.44Å; S183-H494 WeakPolarHBondContact CB-CE1 2.83Å; W311-H494 AromaticContact CD1-CD2 3.83Å; W311-H494 AromaticContact CD1-NE2 3.63Å; W311-H494 AromaticContact CE2-NE2 3.66Å; W311-H494 AromaticContact NE1-CD2 3.17Å; W311-H494 PolarHBondContact NE1-CD2 2.94Å; W311-H494 AromaticContact NE1-CE1 3.88Å; W311-H494 AromaticContact NE1-NE2 2.8Å; W311-H494 PolarHBondContact NE1-NE2 3.09Å; Q315-H494 PolarHBondContact NE2-CE1 2.79Å; Q315-H494 VanDerWaalsContact NE2-CE1 3.25Å; Q315-H494 PolarHBondContact NE2-NE2 2.92Å; Q315-H494 VanDerWaalsContact NE2-NE2 3.12Å; Q491-H494 PolarHBondContact O-CD2 3.09Å; Q491-H494 PolarHBondContact O-NE2 3.26Å; T492-H494 WeakPolarHBondContact CA-NE2 3.35Å; T492-H494 PolarHBondContact O-CE1 3.37Å; T492-H494 VanDerWaalsContact O-CE1 3.22Å; T492-H494 PolarHBondContact O-N 3.38Å; T492-H494 VanDerWaalsContact O-N 3.08Å; T492-H494 PolarHBondContact O-ND1 3.18Å; H494-E496 PolarHBondContact O-N 3.37Å; H494-G498 VanDerWaalsContact O-CA 3.28Å; H494-G498 WeakPolarHBondContact O-CA 3.41Å; H494-G498 PolarHBondContact O-N 3.44Å
495	M	91	Very high	93.5	Very high	121 Å²	121	30.5 Å²	30.5	60%	0.596	15%	0.151	S	C	*	.	H	α-helix	trans	-67.2	-24.2	178.8	-66.4	-57.6	-67.2	0	0	113.1	I176 D180 R493	I176-M495 HydrophobicContact CG2-CE 4.46Å; I176-M495 HydrophobicContact CG2-SD 3.82Å; D180-M495 HydrophobicContact CB-SD 3.86Å; R493-M495 PolarHBondContact O-N 3.12Å
496	E	89.3	Confident	93.3	Very high	103 Å²	103	31.4 Å²	31.4	48%	0.481	16%	0.157	S	C	.	.	H	α-helix	trans	-94.5	-42.1	179.2	-62.1	-177.8	-105.6	0	0	111.6	K339 R493 H494	K339-E496 IonicContact NZ-OE2 2.95Å; R493-E496 HydrophobicContact CB-CB 4.4Å; R493-E496 IonicContact CZ-OE1 2.7Å; R493-E496 IonicContact CZ-OE2 3.45Å; R493-E496 IonicContact NE-OE1 3.23Å; R493-E496 PolarHBondContact NE-OE1 3.49Å; R493-E496 IonicContact NE-OE2 2.73Å; R493-E496 VanDerWaalsContact NH2-CD 3.26Å; R493-E496 IonicContact NH2-OE1 3.48Å; R493-E496 PolarHBondContact NH2-OE1 3.4Å; R493-E496 IonicContact NH2-OE2 3.4Å; R493-E496 PolarHBondContact NH2-OE2 2.82Å; R493-E496 PolarHBondContact O-N 3.48Å; H494-E496 PolarHBondContact O-N 3.37Å
497	F	88.4	Confident	92.9	Very high	52 Å²	52	32.9 Å²	32.9	23%	0.228	16%	0.164	C	C	.	.	H	α-helix	trans	-118.6	-17.2	-170.8	-58.2	-46.2	0	0	0	115.4	M490 R493 D499 A500 L503	M490-F497 HydrophobicContact CG-CE2 4.4Å; R493-F497 HydrophobicContact CB-CD2 4Å; R493-F497 HydrophobicContact CB-CE2 4.35Å; R493-F497 PolarHBondContact O-N 2.93Å; F497-D499 PolarHBondContact O-N 2.02Å; F497-D499 VanDerWaalsContact O-N 3.11Å; F497-A500 HydrophobicContact CB-CB 4.27Å; F497-A500 HydrophobicContact CD2-CB 4.15Å; F497-L503 HydrophobicContact CB-CD1 3.77Å; F497-L503 HydrophobicContact CD1-CD1 3.59Å; F497-L503 HydrophobicContact CD2-CD1 3.5Å; F497-L503 HydrophobicContact CE1-CD1 3.98Å; F497-L503 HydrophobicContact CE2-CD1 3.86Å; F497-L503 HydrophobicContact CG-CD1 3.34Å; F497-L503 HydrophobicContact CZ-CD1 4.11Å
498	G	91	Very high	92.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	66.9	-102.2	-161.8	0	0	0	0	0	110.2	L179 H494	L179-G498 VanDerWaalsContact CD1-C 3.48Å; L179-G498 WeakPolarHBondContact CD1-O 3.23Å; H494-G498 VanDerWaalsContact O-CA 3.28Å; H494-G498 WeakPolarHBondContact O-CA 3.41Å; H494-G498 PolarHBondContact O-N 3.44Å
499	D	91.3	Very high	91.3	Very high	27 Å²	27	38.4 Å²	38.4	14%	0.144	19%	0.19	C	C	.	.			trans	-97.1	115.1	177.3	179.4	-7	0	0	0	109.9	R175 H305 E306 F497 T501	R175-D499 IonicContact NH1-OD2 3.64Å; R175-D499 PolarHBondContact NH1-OD2 2.84Å; R175-D499 VanDerWaalsContact NH1-OD2 3.11Å; H305-D499 WeakPolarHBondContact CA-OD2 3.38Å; H305-D499 IonicContact CD2-OD1 3.98Å; H305-D499 IonicContact CE1-OD1 3.18Å; H305-D499 PolarHBondContact CE1-OD1 3.09Å; H305-D499 IonicContact CG-OD1 3.41Å; H305-D499 IonicContact ND1-OD1 2.68Å; H305-D499 IonicContact NE2-OD1 3.28Å; E306-D499 PolarHBondContact N-OD2 2.73Å; F497-D499 PolarHBondContact O-N 2.02Å; F497-D499 VanDerWaalsContact O-N 3.11Å; D499-T501 WeakPolarHBondContact OD1-CB 3.5Å; D499-T501 PolarHBondContact OD1-N 3.24Å; D499-T501 PolarHBondContact OD1-OG1 3.23Å
500	A	93.1	Very high	90	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.205	C	C	.	.			trans	-97.1	13.6	-177.1	0	0	0	0	0	113.1	M490 Q491 F497 Q502 L503	M490-A500 HydrophobicContact CG-CB 4.02Å; M490-A500 HydrophobicContact SD-CB 4.48Å; Q491-A500 PolarHBondContact NE2-O 3.24Å; F497-A500 HydrophobicContact CB-CB 4.27Å; F497-A500 HydrophobicContact CD2-CB 4.15Å; A500-Q502 PolarHBondContact O-N 2.87Å; A500-L503 HydrophobicContact CB-CB 4.48Å; A500-L503 HydrophobicContact CB-CD1 3.98Å; A500-L503 HydrophobicContact CB-CG 4.41Å; A500-L503 PolarHBondContact O-N 2.82Å; A500-L503 VanDerWaalsContact O-N 3.08Å
501	T	90.5	Very high	88.5	Confident	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.8	-177.5	-58.5	0	0	0	0	111.7	H305 E306 A307 Y487 D499 L503	H305-T501 PolarHBondContact CE1-OG1 2.94Å; H305-T501 PolarHBondContact ND1-OG1 3.31Å; E306-T501 HydrophobicContact CB-CG2 3.92Å; E306-T501 HydrophobicContact CG-CG2 3.96Å; A307-T501 HydrophobicContact CB-CG2 3.64Å; A307-T501 PolarHBondContact N-OG1 2.91Å; Y487-T501 VanDerWaalsContact OH-CA 3.31Å; Y487-T501 WeakPolarHBondContact OH-CA 3.44Å; Y487-T501 PolarHBondContact OH-O 3.16Å; D499-T501 WeakPolarHBondContact OD1-CB 3.5Å; D499-T501 PolarHBondContact OD1-N 3.24Å; D499-T501 PolarHBondContact OD1-OG1 3.23Å; T501-L503 VanDerWaalsContact C-N 3.33Å; T501-L503 PolarHBondContact O-N 2.91Å
502	Q	88.4	Confident	86.7	Confident	109 Å²	109	41.8 Å²	41.8	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.3	-177	-62.9	-60.4	-34.2	0	0	114.1	E306 F473 A500 C504	E306-Q502 PolarHBondContact OE1-NE2 3.36Å; E306-Q502 PolarHBondContact OE2-NE2 3.43Å; F473-Q502 WeakPolarHBondContact CE2-O 3.35Å; A500-Q502 PolarHBondContact O-N 2.87Å; Q502-C504 VanDerWaalsContact C-N 3.29Å; Q502-C504 PolarHBondContact O-N 2.75Å
503	L	92.8	Very high	85.1	Confident	39 Å²	39	42 Å²	42	20%	0.204	21%	0.211	C	C	.	.	S	Bend	trans	-93.3	22.5	-177.3	-58.9	-176.6	0	0	0	113.4	F473 L474 M490 F497 A500 T501	F473-L503 CarbonylContact C-O 3.55Å; F473-L503 WeakPolarHBondContact CA-O 3.4Å; F473-L503 VanDerWaalsContact CD2-C 3.4Å; F473-L503 HydrophobicContact CD2-CB 4.39Å; F473-L503 WeakPolarHBondContact CD2-O 3.43Å; F473-L503 VanDerWaalsContact CE2-C 3.5Å; L474-L503 PolarHBondContact N-O 3.22Å; M490-L503 HydrophobicContact SD-CB 3.85Å; F497-L503 HydrophobicContact CB-CD1 3.77Å; F497-L503 HydrophobicContact CD1-CD1 3.59Å; F497-L503 HydrophobicContact CD2-CD1 3.5Å; F497-L503 HydrophobicContact CE1-CD1 3.98Å; F497-L503 HydrophobicContact CE2-CD1 3.86Å; F497-L503 HydrophobicContact CG-CD1 3.34Å; F497-L503 HydrophobicContact CZ-CD1 4.11Å; A500-L503 HydrophobicContact CB-CB 4.48Å; A500-L503 HydrophobicContact CB-CD1 3.98Å; A500-L503 HydrophobicContact CB-CG 4.41Å; A500-L503 PolarHBondContact O-N 2.82Å; A500-L503 VanDerWaalsContact O-N 3.08Å; T501-L503 VanDerWaalsContact C-N 3.33Å; T501-L503 PolarHBondContact O-N 2.91Å
504	C	94.3	Very high	83.4	Confident	20 Å²	20	45 Å²	45	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.9	175.2	-172.3	0	0	0	0	111.9	L474 F478 Y487 Q502	L474-C504 HydrophobicContact CB-CB 4.12Å; L474-C504 CarbonylContact O-C 3.49Å; L474-C504 VanDerWaalsContact O-CA 3.23Å; L474-C504 WeakPolarHBondContact O-CA 3.12Å; L474-C504 PolarHBondContact O-SG 2.77Å; L474-C504 VanDerWaalsContact O-SG 3.41Å; F478-C504 HydrophobicContact CZ-CB 4.17Å; F478-C504 WeakPolarHBondContact CZ-SG 3.36Å; Y487-C504 HydrophobicContact CD2-CB 3.32Å; Y487-C504 HydrophobicContact CE2-CB 3.52Å; Y487-C504 HydrophobicContact CG-CB 4.22Å; Q502-C504 VanDerWaalsContact C-N 3.29Å; Q502-C504 PolarHBondContact O-N 2.75Å
505	H	92.2	Very high	81.7	Confident	67 Å²	67	45.5 Å²	45.5	31%	0.31	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128	169.8	-171.5	85.4	0	0	0	110.6	Q371 F473 L474 V475 C476	Q371-H505 VanDerWaalsContact CD-NE2 3.27Å; Q371-H505 VanDerWaalsContact CG-CD2 3.44Å; Q371-H505 WeakPolarHBondContact CG-CD2 3.33Å; Q371-H505 PolarHBondContact NE2-NE2 3.17Å; F473-H505 HydrophobicContact CE1-CB 3.9Å; F473-H505 HydrophobicContact CZ-CB 3.85Å; L474-H505 PolarHBondContact O-N 3.01Å; V475-H505 VanDerWaalsContact CA-O 3.32Å; V475-H505 WeakPolarHBondContact CA-O 3.39Å; C476-H505 PolarHBondContact N-O 3.49Å
506	S	91.6	Very high	80.2	Confident	18 Å²	18	41.6 Å²	41.6	13%	0.126	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.3	173.7	174.2	0	0	0	0	110.6	C476 F478 D508 F509	C476-S506 CarbonylContact O-C 3.59Å; C476-S506 VanDerWaalsContact O-CA 3.25Å; C476-S506 WeakPolarHBondContact O-CA 3.33Å; F478-S506 WeakPolarHBondContact CD2-OG 3.01Å; F478-S506 VanDerWaalsContact CE2-CB 3.47Å; F478-S506 PolarHBondContact N-OG 2.92Å; S506-D508 PolarHBondContact OG-OD1 3.1Å; S506-F509 WeakPolarHBondContact CB-O 2.99Å; S506-F509 PolarHBondContact OG-O 3.07Å
507	I	88.9	Confident	78.9	Confident	31 Å²	31	39.6 Å²	39.6	16%	0.159	21%	0.205	C	C	.	.	S	Bend	trans	-86.1	-9.1	-176.6	67.4	176	0	0	0	113.8	H363 E367 Y368 Q371 V475 C476 T477	H363-I507 HydrophobicContact CB-CD1 3.38Å; E367-I507 HydrophobicContact CB-CD1 4.43Å; Y368-I507 HydrophobicContact CD1-CD1 3.89Å; Y368-I507 HydrophobicContact CD2-CD1 3.9Å; Y368-I507 HydrophobicContact CE1-CD1 3.46Å; Y368-I507 VanDerWaalsContact CE1-CD1 3.46Å; Y368-I507 HydrophobicContact CE1-CG1 4.21Å; Y368-I507 HydrophobicContact CE2-CD1 3.49Å; Y368-I507 VanDerWaalsContact CE2-CD1 3.49Å; Y368-I507 HydrophobicContact CG-CD1 4.09Å; Q371-I507 HydrophobicContact CG-CG2 4.2Å; V475-I507 HydrophobicContact CG1-CG2 4.37Å; C476-I507 PolarHBondContact O-N 3.49Å; T477-I507 HydrophobicContact CG2-CD1 3.9Å; T477-I507 HydrophobicContact CG2-CG1 3.46Å; T477-I507 VanDerWaalsContact CG2-CG1 3.46Å
508	D	84.1	Confident	77.8	Confident	39 Å²	39	41.4 Å²	41.4	21%	0.209	21%	0.21	C	C	.	.	S	Bend	trans	-109.3	-72	179.9	59.3	-6.3	0	0	0	112.6	T477 F478 S479 S506	T477-D508 VanDerWaalsContact CA-OD1 3.3Å; T477-D508 WeakPolarHBondContact CA-OD1 3.36Å; T477-D508 VanDerWaalsContact CB-OD2 3.22Å; T477-D508 WeakPolarHBondContact CB-OD2 3.4Å; T477-D508 HydrophobicContact CG2-CB 4.14Å; F478-D508 PolarHBondContact N-OD1 3.49Å; S479-D508 WeakPolarHBondContact CB-OD2 3.44Å; S479-D508 PolarHBondContact N-OD2 2.05Å; S479-D508 PolarHBondContact OG-OD2 2.77Å; S506-D508 PolarHBondContact OG-OD1 3.1Å
509	F	74.7	Confident	76.8	Confident	98 Å²	98	41.8 Å²	41.8	43%	0.43	21%	0.212	S	C	.	.	S	Bend	trans	-123	153.5	-176.2	-58.7	-53.9	0	0	0	110.5	F478 S506 Q513	F478-F509 WeakPolarHBondContact CD2-O 3.33Å; S506-F509 WeakPolarHBondContact CB-O 2.99Å; S506-F509 PolarHBondContact OG-O 3.07Å; F509-Q513 HydrophobicContact CB-CB 3.99Å; F509-Q513 HydrophobicContact CB-CG 4.33Å; F509-Q513 VanDerWaalsContact CB-OE1 3.26Å; F509-Q513 VanDerWaalsContact CD1-CD 3.49Å; F509-Q513 VanDerWaalsContact CD1-OE1 3.26Å
510	A	69.6	Low	76.2	Confident	45 Å²	45	43 Å²	43	37%	0.372	22%	0.216	S	C	.	.			trans	-62.9	150.5	170.1	0	0	0	0	0	110	H512 Q513	A510-H512 PolarHBondContact O-N 3.49Å; A510-H512 VanDerWaalsContact O-N 3.13Å; A510-Q513 HydrophobicContact CB-CB 4.44Å; A510-Q513 VanDerWaalsContact O-CB 3.27Å; A510-Q513 WeakPolarHBondContact O-CB 3.24Å; A510-Q513 PolarHBondContact O-N 2.98Å
511	F	66.1	Low	75.9	Confident	13 Å²	13	43.1 Å²	43.1	6%	0.057	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-46.7	-177.3	179.9	-96	0	0	0	110.5	F309 V310 F478 R484 Y487 E488 Q513	F309-F511 HydrophobicContact CE2-CE1 4.37Å; V310-F511 HydrophobicContact CB-CE1 4.22Å; V310-F511 HydrophobicContact CG1-CE1 3.98Å; V310-F511 HydrophobicContact CG1-CZ 3.96Å; V310-F511 HydrophobicContact CG2-CD1 3.63Å; V310-F511 HydrophobicContact CG2-CE1 3.3Å; V310-F511 HydrophobicContact CG2-CZ 4.12Å; F478-F511 AromaticContact CD1-CD2 3.84Å; F478-F511 HydrophobicContact CD1-CD2 3.84Å; F478-F511 HydrophobicContact CD2-CB 3.6Å; F478-F511 HydrophobicContact CD2-CD2 4.21Å; F478-F511 HydrophobicContact CD2-CG 4.4Å; F478-F511 HydrophobicContact CE1-CB 4.48Å; F478-F511 AromaticContact CE1-CD2 3.61Å; F478-F511 HydrophobicContact CE1-CD2 3.61Å; F478-F511 HydrophobicContact CE1-CE2 4.45Å; F478-F511 VanDerWaalsContact CE2-CA 3.42Å; F478-F511 HydrophobicContact CE2-CB 3.3Å; F478-F511 HydrophobicContact CE2-CD2 4.01Å; F478-F511 HydrophobicContact CE2-CG 4.14Å; F478-F511 HydrophobicContact CG-CB 4.32Å; F478-F511 HydrophobicContact CG-CD2 4.13Å; F478-F511 HydrophobicContact CZ-CB 3.76Å; F478-F511 AromaticContact CZ-CD2 3.67Å; F478-F511 HydrophobicContact CZ-CD2 3.67Å; F478-F511 HydrophobicContact CZ-CG 4.15Å; R484-F511 HydrophobicContact CB-CE2 3.74Å; R484-F511 HydrophobicContact CG-CD2 4.04Å; R484-F511 HydrophobicContact CG-CE2 3.67Å; Y487-F511 HydrophobicContact CD1-CD1 4.35Å; Y487-F511 AromaticContact CD1-CD2 3.24Å; Y487-F511 HydrophobicContact CD1-CD2 3.24Å; Y487-F511 HydrophobicContact CD1-CE1 4.5Å; Y487-F511 AromaticContact CD1-CE2 3.36Å; Y487-F511 HydrophobicContact CD1-CE2 3.36Å; Y487-F511 AromaticContact CD1-CG 3.77Å; Y487-F511 HydrophobicContact CD1-CG 3.77Å; Y487-F511 HydrophobicContact CD1-CZ 4.02Å; Y487-F511 HydrophobicContact CE1-CB 4.08Å; Y487-F511 AromaticContact CE1-CD1 3.93Å; Y487-F511 HydrophobicContact CE1-CD1 3.93Å; Y487-F511 AromaticContact CE1-CD2 3.55Å; Y487-F511 HydrophobicContact CE1-CD2 3.55Å; Y487-F511 HydrophobicContact CE1-CE1 4.34Å; Y487-F511 AromaticContact CE1-CE2 3.93Å; Y487-F511 HydrophobicContact CE1-CE2 3.93Å; Y487-F511 AromaticContact CE1-CG 3.53Å; Y487-F511 HydrophobicContact CE1-CG 3.53Å; Y487-F511 HydrophobicContact CE1-CZ 4.31Å; Y487-F511 HydrophobicContact CG-CD2 4.28Å; Y487-F511 HydrophobicContact CG-CE2 4.43Å; E488-F511 HydrophobicContact CG-CE2 4.32Å; E488-F511 HydrophobicContact CG-CZ 3.91Å; F511-Q513 VanDerWaalsContact C-N 3.25Å; F511-Q513 PolarHBondContact O-N 2.8Å
512	H	59.3	Low	75.7	Confident	25 Å²	25	44.4 Å²	44.4	12%	0.116	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.3	-177.5	-53.7	-54.7	0	0	0	113.8	F309 A510 E514 D515 Y516	F309-H512 AromaticContact CE1-CE1 3.7Å; F309-H512 AromaticContact CE1-ND1 3.88Å; F309-H512 AromaticContact CE2-CE1 3.42Å; F309-H512 VanDerWaalsContact CE2-CE1 3.42Å; F309-H512 WeakPolarHBondContact CE2-CE1 3.26Å; F309-H512 AromaticContact CE2-ND1 3.08Å; F309-H512 WeakPolarHBondContact CE2-ND1 3.01Å; F309-H512 HydrophobicContact CZ-CB 4.43Å; F309-H512 AromaticContact CZ-CE1 3.05Å; F309-H512 WeakPolarHBondContact CZ-CE1 3.35Å; F309-H512 AromaticContact CZ-CG 3.74Å; F309-H512 AromaticContact CZ-ND1 2.82Å; F309-H512 WeakPolarHBondContact CZ-ND1 3.16Å; A510-H512 PolarHBondContact O-N 3.49Å; A510-H512 VanDerWaalsContact O-N 3.13Å; H512-E514 PolarHBondContact O-N 3.21Å; H512-D515 CarbonylContact O-C 3.55Å; H512-D515 WeakPolarHBondContact O-CB 3.32Å; H512-D515 PolarHBondContact O-N 2.59Å; H512-D515 VanDerWaalsContact O-N 3.17Å; H512-Y516 HydrophobicContact CB-CD1 3.44Å; H512-Y516 VanDerWaalsContact CB-CD1 3.44Å; H512-Y516 HydrophobicContact CB-CD2 3.6Å; H512-Y516 HydrophobicContact CB-CE1 3.19Å; H512-Y516 HydrophobicContact CB-CE2 3.37Å; H512-Y516 HydrophobicContact CB-CG 3.64Å; H512-Y516 AromaticContact CD2-CZ 3.54Å; H512-Y516 PolarHBondContact CD2-OH 3.14Å; H512-Y516 AromaticContact CG-CE1 3.66Å; H512-Y516 AromaticContact CG-CZ 3.53Å; H512-Y516 WeakPolarHBondContact O-CA 3.35Å; H512-Y516 WeakPolarHBondContact O-CB 3.5Å; H512-Y516 WeakPolarHBondContact O-CD1 3.38Å; H512-Y516 WeakPolarHBondContact O-CD2 3.2Å; H512-Y516 PolarHBondContact O-N 2.83Å
513	Q	62.3	Low	75.8	Confident	44 Å²	44	39.3 Å²	39.3	21%	0.206	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-40.8	-172.3	-175	161	-12.6	0	0	113	F509 A510 F511 D515 S517	F509-Q513 HydrophobicContact CB-CB 3.99Å; F509-Q513 HydrophobicContact CB-CG 4.33Å; F509-Q513 VanDerWaalsContact CB-OE1 3.26Å; F509-Q513 VanDerWaalsContact CD1-CD 3.49Å; F509-Q513 VanDerWaalsContact CD1-OE1 3.26Å; A510-Q513 HydrophobicContact CB-CB 4.44Å; A510-Q513 VanDerWaalsContact O-CB 3.27Å; A510-Q513 WeakPolarHBondContact O-CB 3.24Å; A510-Q513 PolarHBondContact O-N 2.98Å; F511-Q513 VanDerWaalsContact C-N 3.25Å; F511-Q513 PolarHBondContact O-N 2.8Å; Q513-D515 VanDerWaalsContact C-N 3.29Å; Q513-S517 PolarHBondContact O-N 3.44Å; Q513-S517 VanDerWaalsContact O-N 3.16Å
514	E	59.6	Low	75.6	Confident	77 Å²	77	38.9 Å²	38.9	36%	0.36	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-39.4	172.1	-73.7	-169.5	-171.7	0	0	111	R484 H512 S517	R484-E514 IonicContact CZ-OE2 3.78Å; R484-E514 IonicContact NH1-OE2 3.61Å; R484-E514 PolarHBondContact NH1-OE2 3.37Å; R484-E514 IonicContact NH2-OE1 3.21Å; R484-E514 IonicContact NH2-OE2 2.74Å; R484-E514 PolarHBondContact NH2-OE2 2.88Å; H512-E514 PolarHBondContact O-N 3.21Å; E514-S517 PolarHBondContact O-OG 2.84Å
515	D	57.2	Low	75.3	Confident	15 Å²	15	39.5 Å²	39.5	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-71.2	-40.1	-179.7	-64.3	-19.1	0	0	0	112.5	H291 F309 H512 Q513 S517 R518 L519	H291-D515 WeakPolarHBondContact CE1-CB 3.09Å; H291-D515 IonicContact CE1-OD1 3.9Å; H291-D515 PolarHBondContact CE1-OD1 2.83Å; H291-D515 IonicContact CE1-OD2 2.86Å; H291-D515 WeakPolarHBondContact NE2-CB 3.1Å; H291-D515 IonicContact NE2-OD1 2.84Å; F309-D515 HydrophobicContact CE2-CB 4.43Å; H512-D515 CarbonylContact O-C 3.55Å; H512-D515 WeakPolarHBondContact O-CB 3.32Å; H512-D515 PolarHBondContact O-N 2.59Å; H512-D515 VanDerWaalsContact O-N 3.17Å; Q513-D515 VanDerWaalsContact C-N 3.29Å; D515-S517 VanDerWaalsContact C-N 3.28Å; D515-S517 PolarHBondContact O-N 3.27Å; D515-R518 CarbonylContact O-C 3.56Å; D515-R518 WeakPolarHBondContact O-CA 3.32Å; D515-R518 VanDerWaalsContact O-CB 3.32Å; D515-R518 WeakPolarHBondContact O-CB 3.18Å; D515-R518 PolarHBondContact O-N 3.29Å; D515-L519 WeakPolarHBondContact O-CG 3.39Å; D515-L519 PolarHBondContact O-N 2.84Å
516	Y	60.1	Low	75	Confident	40 Å²	40	39.3 Å²	39.3	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-30.1	179.5	-74.4	-13.4	0	0	0	111.2	H512 R518 L519 F521 F541 P571	H512-Y516 HydrophobicContact CB-CD1 3.44Å; H512-Y516 VanDerWaalsContact CB-CD1 3.44Å; H512-Y516 HydrophobicContact CB-CD2 3.6Å; H512-Y516 HydrophobicContact CB-CE1 3.19Å; H512-Y516 HydrophobicContact CB-CE2 3.37Å; H512-Y516 HydrophobicContact CB-CG 3.64Å; H512-Y516 AromaticContact CD2-CZ 3.54Å; H512-Y516 PolarHBondContact CD2-OH 3.14Å; H512-Y516 AromaticContact CG-CE1 3.66Å; H512-Y516 AromaticContact CG-CZ 3.53Å; H512-Y516 WeakPolarHBondContact O-CA 3.35Å; H512-Y516 WeakPolarHBondContact O-CB 3.5Å; H512-Y516 WeakPolarHBondContact O-CD1 3.38Å; H512-Y516 WeakPolarHBondContact O-CD2 3.2Å; H512-Y516 PolarHBondContact O-N 2.83Å; Y516-R518 PolarHBondContact O-N 2.8Å; Y516-R518 VanDerWaalsContact O-N 3.15Å; Y516-L519 HydrophobicContact CD1-CD1 3.59Å; Y516-L519 HydrophobicContact CE1-CD1 3.96Å; Y516-L519 PolarHBondContact O-N 3.36Å; Y516-F521 HydrophobicContact CD1-CE2 4.03Å; Y516-F521 AromaticContact CD1-CZ 3.54Å; Y516-F521 HydrophobicContact CD1-CZ 3.54Å; Y516-F521 AromaticContact CD2-CZ 3.73Å; Y516-F521 HydrophobicContact CD2-CZ 3.73Å; Y516-F521 AromaticContact CE1-CZ 3.94Å; Y516-F521 HydrophobicContact CE1-CZ 3.94Å; Y516-F521 HydrophobicContact CE2-CZ 4.11Å; Y516-F521 AromaticContact CG-CE2 3.95Å; Y516-F521 HydrophobicContact CG-CE2 3.95Å; Y516-F521 AromaticContact CG-CZ 3.43Å; Y516-F521 HydrophobicContact CG-CZ 3.43Å; Y516-F521 VanDerWaalsContact CG-CZ 3.43Å; Y516-F541 HydrophobicContact CD2-CD1 4.48Å; Y516-F541 HydrophobicContact CD2-CE1 4.44Å; Y516-P571 HydrophobicContact CE1-CB 4Å; Y516-P571 HydrophobicContact CE1-CG 4.14Å
517	S	61.8	Low	74.5	Confident	60 Å²	60	39.7 Å²	39.7	42%	0.42	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.3	169.9	79.3	0	0	0	0	112.6	Q513 E514 D515	Q513-S517 PolarHBondContact O-N 3.44Å; Q513-S517 VanDerWaalsContact O-N 3.16Å; E514-S517 PolarHBondContact O-OG 2.84Å; D515-S517 VanDerWaalsContact C-N 3.28Å; D515-S517 PolarHBondContact O-N 3.27Å
518	R	64.2	Low	73.9	Confident	91 Å²	91	46.6 Å²	46.6	34%	0.343	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-10.9	178.5	-54	176.3	178.4	161.3	0	113.3	H286 L289 D515 Y516	H286-R518 PolarHBondContact CE1-O 3.08Å; L289-R518 HydrophobicContact CD1-CB 4.42Å; D515-R518 CarbonylContact O-C 3.56Å; D515-R518 WeakPolarHBondContact O-CA 3.32Å; D515-R518 VanDerWaalsContact O-CB 3.32Å; D515-R518 WeakPolarHBondContact O-CB 3.18Å; D515-R518 PolarHBondContact O-N 3.29Å; Y516-R518 PolarHBondContact O-N 2.8Å; Y516-R518 VanDerWaalsContact O-N 3.15Å
519	L	69.8	Low	73.5	Confident	9 Å²	9	52 Å²	52	5%	0.047	26%	0.259	C	S	.	.	S	Bend	trans	-91.2	142.6	178	-72.7	174.8	0	0	0	110.7	H291 F309 D515 Y516 F521 P571	H291-L519 HydrophobicContact CB-CD1 4.42Å; H291-L519 HydrophobicContact CB-CD2 3.58Å; H291-L519 HydrophobicContact CB-CG 4.33Å; F309-L519 HydrophobicContact CZ-CD1 4.48Å; D515-L519 WeakPolarHBondContact O-CG 3.39Å; D515-L519 PolarHBondContact O-N 2.84Å; Y516-L519 HydrophobicContact CD1-CD1 3.59Å; Y516-L519 HydrophobicContact CE1-CD1 3.96Å; Y516-L519 PolarHBondContact O-N 3.36Å; L519-F521 HydrophobicContact CB-CE2 4.11Å; L519-P571 HydrophobicContact CD1-CB 4.29Å
520	K	79.9	Confident	73.3	Confident	51 Å²	51	48.4 Å²	48.4	22%	0.222	25%	0.25	C	C	.	.			trans	-75.5	153.5	163.4	-64.1	-171.9	174.8	-171.6	0	109.7	V537 V538 E554 T572	K520-V537 HydrophobicContact CB-CG1 3.98Å; K520-V537 HydrophobicContact CD-CG1 3.84Å; K520-V537 HydrophobicContact CG-CG1 4.3Å; K520-V538 CarbonylContact C-O 3.45Å; K520-V538 VanDerWaalsContact CA-O 3.26Å; K520-V538 WeakPolarHBondContact CA-O 3.37Å; K520-E554 IonicContact NZ-OE1 3.55Å; K520-E554 PolarHBondContact NZ-OE1 3.07Å; K520-T572 WeakPolarHBondContact O-CB 3.46Å; K520-T572 PolarHBondContact O-N 2.74Å; K520-T572 PolarHBondContact O-OG1 2.9Å
521	F	85.8	Confident	73.9	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.022	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	175.5	-77.9	-113.6	0	0	0	110.8	Y516 L519 V537 V538 F541 F569 R570 P571	Y516-F521 HydrophobicContact CD1-CE2 4.03Å; Y516-F521 AromaticContact CD1-CZ 3.54Å; Y516-F521 HydrophobicContact CD1-CZ 3.54Å; Y516-F521 AromaticContact CD2-CZ 3.73Å; Y516-F521 HydrophobicContact CD2-CZ 3.73Å; Y516-F521 AromaticContact CE1-CZ 3.94Å; Y516-F521 HydrophobicContact CE1-CZ 3.94Å; Y516-F521 HydrophobicContact CE2-CZ 4.11Å; Y516-F521 AromaticContact CG-CE2 3.95Å; Y516-F521 HydrophobicContact CG-CE2 3.95Å; Y516-F521 AromaticContact CG-CZ 3.43Å; Y516-F521 HydrophobicContact CG-CZ 3.43Å; Y516-F521 VanDerWaalsContact CG-CZ 3.43Å; L519-F521 HydrophobicContact CB-CE2 4.11Å; F521-V537 CarbonylContact O-C 3.56Å; F521-V537 WeakPolarHBondContact O-CA 3.44Å; F521-V538 HydrophobicContact CB-CB 3.93Å; F521-V538 HydrophobicContact CB-CG1 4.42Å; F521-V538 PolarHBondContact N-O 3.4Å; F521-V538 PolarHBondContact O-N 2.7Å; F521-F541 HydrophobicContact CD1-CB 4.44Å; F521-F541 HydrophobicContact CD1-CD1 4.26Å; F521-F541 HydrophobicContact CD1-CD2 4.08Å; F521-F541 HydrophobicContact CD1-CE2 4.41Å; F521-F541 HydrophobicContact CD1-CG 4.01Å; F521-F541 HydrophobicContact CD2-CB 3.45Å; F521-F541 VanDerWaalsContact CD2-CB 3.45Å; F521-F541 HydrophobicContact CD2-CD1 4.31Å; F521-F541 AromaticContact CD2-CG 3.9Å; F521-F541 HydrophobicContact CD2-CG 3.9Å; F521-F541 AromaticContact CE1-CD1 3.69Å; F521-F541 HydrophobicContact CE1-CD1 3.69Å; F521-F541 HydrophobicContact CE1-CD2 4.29Å; F521-F541 AromaticContact CE1-CE1 3.84Å; F521-F541 HydrophobicContact CE1-CE1 3.84Å; F521-F541 HydrophobicContact CE1-CE2 4.45Å; F521-F541 AromaticContact CE1-CG 3.93Å; F521-F541 HydrophobicContact CE1-CG 3.93Å; F521-F541 HydrophobicContact CE1-CZ 4.24Å; F521-F541 HydrophobicContact CE2-CB 3.57Å; F521-F541 AromaticContact CE2-CD1 3.77Å; F521-F541 HydrophobicContact CE2-CD1 3.77Å; F521-F541 AromaticContact CE2-CG 3.82Å; F521-F541 HydrophobicContact CE2-CG 3.82Å; F521-F541 HydrophobicContact CG-CB 3.94Å; F521-F541 HydrophobicContact CG-CD2 4.24Å; F521-F541 HydrophobicContact CG-CG 4.02Å; F521-F541 HydrophobicContact CZ-CB 4.12Å; F521-F541 AromaticContact CZ-CD1 3.42Å; F521-F541 HydrophobicContact CZ-CD1 3.42Å; F521-F541 VanDerWaalsContact CZ-CD1 3.42Å; F521-F541 AromaticContact CZ-CE1 3.92Å; F521-F541 HydrophobicContact CZ-CE1 3.92Å; F521-F541 AromaticContact CZ-CG 3.83Å; F521-F541 HydrophobicContact CZ-CG 3.83Å; F521-F569 HydrophobicContact CB-CB 4.4Å; F521-F569 HydrophobicContact CD1-CB 4.01Å; F521-R570 CarbonylContact C-O 3.59Å; F521-R570 VanDerWaalsContact CA-O 3.27Å; F521-R570 WeakPolarHBondContact CA-O 3.18Å; F521-P571 HydrophobicContact CD1-CB 4.26Å; F521-P571 VanDerWaalsContact CD1-N 3.3Å; F521-P571 HydrophobicContact CE1-CB 3.89Å; F521-P571 HydrophobicContact CE1-CG 4.31Å; F521-P571 HydrophobicContact CE2-CB 4.42Å; F521-P571 HydrophobicContact CZ-CB 3.97Å
522	D	87.2	Confident	74.9	Confident	37 Å²	37	53.4 Å²	53.4	20%	0.198	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.2	171.5	-56.5	-32.9	0	0	0	110.1	I524 F569 R570 T572	D522-I524 PolarHBondContact O-N 2.91Å; D522-F569 WeakPolarHBondContact O-CA 3.3Å; D522-R570 PolarHBondContact N-O 3.2Å; D522-R570 PolarHBondContact O-N 2.79Å; D522-R570 IonicContact OD2-NH2 3.21Å; D522-T572 PolarHBondContact N-OG1 3Å; D522-T572 PolarHBondContact OD1-OG1 3.4Å
523	V	89.3	Confident	76.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	112.5	164	178.3	0	0	0	0	109	I525 L532 K533 G535 D536 V538 F569	V523-I525 VanDerWaalsContact CG1-O 3.28Å; V523-I525 WeakPolarHBondContact CG1-O 3.45Å; V523-L532 HydrophobicContact CG1-CB 4.12Å; V523-L532 HydrophobicContact CG2-CB 4.43Å; V523-L532 HydrophobicContact CG2-CD2 3.98Å; V523-K533 VanDerWaalsContact CB-O 3.25Å; V523-K533 WeakPolarHBondContact CB-O 3.3Å; V523-K533 VanDerWaalsContact CG1-O 3.25Å; V523-K533 WeakPolarHBondContact CG1-O 3.41Å; V523-G535 PolarHBondContact O-N 3.04Å; V523-D536 HydrophobicContact CB-CB 4.4Å; V523-D536 HydrophobicContact CG2-CB 3.97Å; V523-D536 WeakPolarHBondContact CG2-O 3.47Å; V523-D536 PolarHBondContact N-O 3.3Å; V523-V538 HydrophobicContact CG2-CG2 4.28Å; V523-F569 HydrophobicContact CG2-CD1 3.99Å; V523-F569 HydrophobicContact CG2-CE1 3.79Å
524	I	89.2	Confident	77.5	Confident	31 Å²	31	64.6 Å²	64.6	16%	0.159	31%	0.31	C	S	.	.			trans	-99.3	-14	178.4	56.8	160.4	0	0	0	112.7	N9 D522 Y534 K568 R570	N9-I524 WeakPolarHBondContact ND2-CD1 3.37Å; D522-I524 PolarHBondContact O-N 2.91Å; I524-Y534 WeakPolarHBondContact O-CD2 3.31Å; I524-Y534 VanDerWaalsContact O-CE2 3.24Å; I524-Y534 WeakPolarHBondContact O-CE2 3.36Å; I524-K568 WeakPolarHBondContact CG1-O 3.41Å; I524-K568 PolarHBondContact N-O 3.3Å; I524-R570 HydrophobicContact CD1-CB 4.24Å; I524-R570 HydrophobicContact CG1-CB 4.44Å; I524-R570 HydrophobicContact CG2-CB 3.76Å
525	I	87.6	Confident	78.9	Confident	33 Å²	33	62.9 Å²	62.9	17%	0.169	31%	0.313	C	S	.	.	S	Bend	trans	-134.3	119.7	175.9	-61.3	174.2	0	0	0	108.5	W58 V523 Y567 K568	W58-I525 HydrophobicContact CH2-CG2 3.73Å; W58-I525 HydrophobicContact CZ2-CG2 4.34Å; V523-I525 VanDerWaalsContact CG1-O 3.28Å; V523-I525 WeakPolarHBondContact CG1-O 3.45Å; I525-Y567 HydrophobicContact CD1-CD2 3.69Å; I525-Y567 HydrophobicContact CD1-CE2 3.58Å; I525-K568 HydrophobicContact CB-CB 4.11Å; I525-K568 HydrophobicContact CB-CG 4.02Å; I525-K568 HydrophobicContact CG2-CD 4.4Å; I525-K568 HydrophobicContact CG2-CG 4.22Å; I525-K568 PolarHBondContact N-O 3.25Å
526	P	87.4	Confident	80.4	Confident	63 Å²	63	63 Å²	63	41%	0.409	31%	0.313	S	S	.	.			trans	-67.2	152.7	-179.2	28.6	-34.6	0	0	0	112	L532	P526-L532 CarbonylContact C-O 3.46Å; P526-L532 VanDerWaalsContact CA-O 3.25Å; P526-L532 WeakPolarHBondContact CA-O 2.97Å; P526-L532 WeakPolarHBondContact CB-O 3.4Å
527	D	81.4	Confident	81.8	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.139	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-133.3	111.2	174.5	-166.2	-17.4	0	0	0	109.9	K529 G530 H531 L532 K568	D527-K529 VanDerWaalsContact C-N 3.31Å; D527-K529 PolarHBondContact O-N 3.46Å; D527-K529 PolarHBondContact OD1-N 3.35Å; D527-G530 PolarHBondContact O-N 3.29Å; D527-G530 PolarHBondContact OD1-N 3.21Å; D527-H531 CarbonylContact O-C 3.51Å; D527-H531 PolarHBondContact O-N 3.08Å; D527-H531 VanDerWaalsContact O-N 3.07Å; D527-L532 HydrophobicContact CB-CB 3.88Å; D527-L532 HydrophobicContact CB-CD1 3.84Å; D527-L532 HydrophobicContact CB-CG 4.17Å; D527-L532 PolarHBondContact N-O 2.59Å; D527-L532 PolarHBondContact O-N 2.93Å; D527-K568 HydrophobicContact CB-CD 4.14Å; D527-K568 IonicContact OD1-NZ 3.41Å; D527-K568 IonicContact OD2-NZ 2.82Å; D527-K568 PolarHBondContact OD2-NZ 3.42Å
528	M	75.1	Confident	83	Confident	176 Å²	176	59.8 Å²	59.8	87%	0.867	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-30.7	179.4	-62.3	-136.5	-62.4	0	0	112.4	H531	M528-H531 PolarHBondContact O-N 3.43Å
529	K	75.4	Confident	83.9	Confident	151 Å²	151	58.1 Å²	58.1	66%	0.657	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-38.2	178.6	-69.5	-172.7	178.1	-174.8	0	111.6	E54 D527	E54-K529 IonicContact OE1-NZ 3.67Å; E54-K529 WeakPolarHBondContact OE2-CE 3.23Å; E54-K529 IonicContact OE2-NZ 2.69Å; E54-K529 PolarHBondContact OE2-NZ 3.22Å; D527-K529 VanDerWaalsContact C-N 3.31Å; D527-K529 PolarHBondContact O-N 3.46Å; D527-K529 PolarHBondContact OD1-N 3.35Å
530	G	71.5	Confident	84.5	Confident	23 Å²	23	59.9 Å²	59.9	24%	0.237	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	6.7	177.8	0	0	0	0	0	114.8	D527 L532	D527-G530 PolarHBondContact O-N 3.29Å; D527-G530 PolarHBondContact OD1-N 3.21Å; G530-L532 PolarHBondContact O-N 3.32Å; G530-L532 VanDerWaalsContact O-N 3.1Å
531	H	82	Confident	84.7	Confident	159 Å²	159	58 Å²	58	74%	0.736	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	29.5	-172.4	-58.6	-67.3	0	0	0	114.6	D527 M528	D527-H531 CarbonylContact O-C 3.51Å; D527-H531 PolarHBondContact O-N 3.08Å; D527-H531 VanDerWaalsContact O-N 3.07Å; M528-H531 PolarHBondContact O-N 3.43Å
532	L	86.1	Confident	84.5	Confident	4 Å²	4	61 Å²	61	2%	0.021	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-84.3	119.7	179.5	-65.7	174.4	0	0	0	110.4	V523 P526 D527 G530 L553 F562 A564 F569	V523-L532 HydrophobicContact CG1-CB 4.12Å; V523-L532 HydrophobicContact CG2-CB 4.43Å; V523-L532 HydrophobicContact CG2-CD2 3.98Å; P526-L532 CarbonylContact C-O 3.46Å; P526-L532 VanDerWaalsContact CA-O 3.25Å; P526-L532 WeakPolarHBondContact CA-O 2.97Å; P526-L532 WeakPolarHBondContact CB-O 3.4Å; D527-L532 HydrophobicContact CB-CB 3.88Å; D527-L532 HydrophobicContact CB-CD1 3.84Å; D527-L532 HydrophobicContact CB-CG 4.17Å; D527-L532 PolarHBondContact N-O 2.59Å; D527-L532 PolarHBondContact O-N 2.93Å; G530-L532 PolarHBondContact O-N 3.32Å; G530-L532 VanDerWaalsContact O-N 3.1Å; L532-L553 HydrophobicContact CD2-CD1 4.15Å; L532-L553 HydrophobicContact CD2-CD2 3.87Å; L532-L553 HydrophobicContact CD2-CG 4.29Å; L532-F562 HydrophobicContact CD1-CE2 4.25Å; L532-F562 HydrophobicContact CD2-CE2 3.97Å; L532-F562 HydrophobicContact CD2-CZ 3.56Å; L532-F562 HydrophobicContact CG-CE2 4.12Å; L532-F562 HydrophobicContact CG-CZ 4.17Å; L532-A564 HydrophobicContact CD1-CB 4.03Å; L532-F569 HydrophobicContact CD1-CE1 3.97Å; L532-F569 HydrophobicContact CD1-CZ 3.55Å; L532-F569 HydrophobicContact CD2-CE1 4.25Å; L532-F569 HydrophobicContact CD2-CZ 4.46Å
533	K	89	Confident	84.2	Confident	148 Å²	148	61.5 Å²	61.5	64%	0.643	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-98.1	149.7	172.9	-57.9	176.4	-178.8	175	0	110.5	V523 G535 D536	V523-K533 VanDerWaalsContact CB-O 3.25Å; V523-K533 WeakPolarHBondContact CB-O 3.3Å; V523-K533 VanDerWaalsContact CG1-O 3.25Å; V523-K533 WeakPolarHBondContact CG1-O 3.41Å; K533-G535 PolarHBondContact O-N 3.09Å; K533-D536 WeakPolarHBondContact CA-OD2 3.48Å; K533-D536 VanDerWaalsContact CB-OD2 3.26Å; K533-D536 WeakPolarHBondContact CB-OD2 3.26Å; K533-D536 PolarHBondContact N-OD2 2.79Å; K533-D536 WeakPolarHBondContact O-CB 3.41Å; K533-D536 PolarHBondContact O-N 3.25Å; K533-D536 VanDerWaalsContact O-N 3.07Å
534	Y	89	Confident	83.7	Confident	156 Å²	156	65.5 Å²	65.5	61%	0.612	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	129.1	172.3	-177.8	-84.4	0	0	0	110.3	I524 D536	I524-Y534 WeakPolarHBondContact O-CD2 3.31Å; I524-Y534 VanDerWaalsContact O-CE2 3.24Å; I524-Y534 WeakPolarHBondContact O-CE2 3.36Å; Y534-D536 VanDerWaalsContact C-N 3.34Å
535	G	86.9	Confident	82.9	Confident	42 Å²	42	67.3 Å²	67.3	43%	0.433	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	3.2	-178	0	0	0	0	0	115.1	V523 K533	V523-G535 PolarHBondContact O-N 3.04Å; K533-G535 PolarHBondContact O-N 3.09Å
536	D	90.2	Very high	82.3	Confident	16 Å²	16	69.1 Å²	69.1	9%	0.086	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.7	165.9	-77.8	-29.2	0	0	0	110.3	V523 K533 Y534 L553 K555	V523-D536 HydrophobicContact CB-CB 4.4Å; V523-D536 HydrophobicContact CG2-CB 3.97Å; V523-D536 WeakPolarHBondContact CG2-O 3.47Å; V523-D536 PolarHBondContact N-O 3.3Å; K533-D536 WeakPolarHBondContact CA-OD2 3.48Å; K533-D536 VanDerWaalsContact CB-OD2 3.26Å; K533-D536 WeakPolarHBondContact CB-OD2 3.26Å; K533-D536 PolarHBondContact N-OD2 2.79Å; K533-D536 WeakPolarHBondContact O-CB 3.41Å; K533-D536 PolarHBondContact O-N 3.25Å; K533-D536 VanDerWaalsContact O-N 3.07Å; Y534-D536 VanDerWaalsContact C-N 3.34Å; D536-L553 HydrophobicContact CB-CD2 4.07Å; D536-K555 IonicContact OD1-NZ 3.77Å; D536-K555 PolarHBondContact OD1-NZ 2.73Å
537	V	88.4	Confident	81.8	Confident	33 Å²	33	67.1 Å²	67.1	20%	0.2	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.3	-178.7	-178.6	0	0	0	0	109.6	K520 F521 E554	K520-V537 HydrophobicContact CB-CG1 3.98Å; K520-V537 HydrophobicContact CD-CG1 3.84Å; K520-V537 HydrophobicContact CG-CG1 4.3Å; F521-V537 CarbonylContact O-C 3.56Å; F521-V537 WeakPolarHBondContact O-CA 3.44Å; V537-E554 HydrophobicContact CB-CB 4.34Å; V537-E554 HydrophobicContact CG1-CB 4.43Å; V537-E554 PolarHBondContact O-N 3.19Å
538	V	87.4	Confident	82	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.5	175.4	174.1	0	0	0	0	107.7	K520 F521 V523 N540 F541 V551 K552 L553 F569	K520-V538 CarbonylContact C-O 3.45Å; K520-V538 VanDerWaalsContact CA-O 3.26Å; K520-V538 WeakPolarHBondContact CA-O 3.37Å; F521-V538 HydrophobicContact CB-CB 3.93Å; F521-V538 HydrophobicContact CB-CG1 4.42Å; F521-V538 PolarHBondContact N-O 3.4Å; F521-V538 PolarHBondContact O-N 2.7Å; V523-V538 HydrophobicContact CG2-CG2 4.28Å; V538-N540 WeakPolarHBondContact CG1-O 3.45Å; V538-F541 HydrophobicContact CG1-CB 4.17Å; V538-V551 HydrophobicContact CG1-CB 3.94Å; V538-V551 HydrophobicContact CG1-CG1 4.21Å; V538-V551 HydrophobicContact CG2-CB 4.49Å; V538-K552 CarbonylContact C-O 3.49Å; V538-K552 WeakPolarHBondContact CA-O 3.29Å; V538-K552 WeakPolarHBondContact CG1-O 3.08Å; V538-L553 HydrophobicContact CG2-CD2 3.88Å; V538-F569 HydrophobicContact CG2-CD1 3.68Å; V538-F569 HydrophobicContact CG2-CE1 3.64Å
539	D	83.6	Confident	82.5	Confident	56 Å²	56	58.7 Å²	58.7	30%	0.299	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-33.2	-178.3	-164.3	43.5	0	0	0	111.8	K552 E554	D539-K552 PolarHBondContact N-O 3.19Å; D539-K552 IonicContact OD2-NZ 2.67Å; D539-E554 HydrophobicContact CB-CB 4.45Å
540	N	81.9	Confident	83.1	Confident	47 Å²	47	52.4 Å²	52.4	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.2	175.5	-59.6	89.9	0	0	0	110.6	V538 V551 K552 F561	V538-N540 WeakPolarHBondContact CG1-O 3.45Å; N540-V551 WeakPolarHBondContact O-CA 3.02Å; N540-K552 HydrophobicContact CB-CB 4.15Å; N540-K552 PolarHBondContact O-N 3.48Å; N540-F561 HydrophobicContact CB-CE1 3.63Å; N540-F561 HydrophobicContact CB-CZ 3.75Å
541	F	83.9	Confident	83.8	Confident	11 Å²	11	51.3 Å²	51.3	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.6	178.5	177.1	-90.3	0	0	0	110.2	Y516 F521 V538 N543 A549 V551 A566 F569	Y516-F541 HydrophobicContact CD2-CD1 4.48Å; Y516-F541 HydrophobicContact CD2-CE1 4.44Å; F521-F541 HydrophobicContact CD1-CB 4.44Å; F521-F541 HydrophobicContact CD1-CD1 4.26Å; F521-F541 HydrophobicContact CD1-CD2 4.08Å; F521-F541 HydrophobicContact CD1-CE2 4.41Å; F521-F541 HydrophobicContact CD1-CG 4.01Å; F521-F541 HydrophobicContact CD2-CB 3.45Å; F521-F541 VanDerWaalsContact CD2-CB 3.45Å; F521-F541 HydrophobicContact CD2-CD1 4.31Å; F521-F541 AromaticContact CD2-CG 3.9Å; F521-F541 HydrophobicContact CD2-CG 3.9Å; F521-F541 AromaticContact CE1-CD1 3.69Å; F521-F541 HydrophobicContact CE1-CD1 3.69Å; F521-F541 HydrophobicContact CE1-CD2 4.29Å; F521-F541 AromaticContact CE1-CE1 3.84Å; F521-F541 HydrophobicContact CE1-CE1 3.84Å; F521-F541 HydrophobicContact CE1-CE2 4.45Å; F521-F541 AromaticContact CE1-CG 3.93Å; F521-F541 HydrophobicContact CE1-CG 3.93Å; F521-F541 HydrophobicContact CE1-CZ 4.24Å; F521-F541 HydrophobicContact CE2-CB 3.57Å; F521-F541 AromaticContact CE2-CD1 3.77Å; F521-F541 HydrophobicContact CE2-CD1 3.77Å; F521-F541 AromaticContact CE2-CG 3.82Å; F521-F541 HydrophobicContact CE2-CG 3.82Å; F521-F541 HydrophobicContact CG-CB 3.94Å; F521-F541 HydrophobicContact CG-CD2 4.24Å; F521-F541 HydrophobicContact CG-CG 4.02Å; F521-F541 HydrophobicContact CZ-CB 4.12Å; F521-F541 AromaticContact CZ-CD1 3.42Å; F521-F541 HydrophobicContact CZ-CD1 3.42Å; F521-F541 VanDerWaalsContact CZ-CD1 3.42Å; F521-F541 AromaticContact CZ-CE1 3.92Å; F521-F541 HydrophobicContact CZ-CE1 3.92Å; F521-F541 AromaticContact CZ-CG 3.83Å; F521-F541 HydrophobicContact CZ-CG 3.83Å; V538-F541 HydrophobicContact CG1-CB 4.17Å; F541-N543 HydrophobicContact CE1-CB 3.81Å; F541-N543 HydrophobicContact CZ-CB 4.28Å; F541-A549 HydrophobicContact CD2-CB 4.01Å; F541-A549 HydrophobicContact CE1-CB 4.49Å; F541-A549 HydrophobicContact CE2-CB 3.36Å; F541-A549 HydrophobicContact CZ-CB 3.65Å; F541-V551 HydrophobicContact CD2-CG1 3.74Å; F541-V551 HydrophobicContact CE2-CG1 4.28Å; F541-A566 HydrophobicContact CZ-CB 4.43Å; F541-F569 HydrophobicContact CD2-CB 4.17Å; F541-F569 HydrophobicContact CD2-CD2 4.3Å; F541-F569 HydrophobicContact CD2-CG 4.18Å; F541-F569 HydrophobicContact CE2-CB 3.81Å; F541-F569 AromaticContact CE2-CD2 3.73Å; F541-F569 HydrophobicContact CE2-CD2 3.73Å; F541-F569 AromaticContact CE2-CG 3.92Å; F541-F569 HydrophobicContact CE2-CG 3.92Å
542	I	82.6	Confident	84.1	Confident	69 Å²	69	45.2 Å²	45.2	35%	0.354	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.2	177.3	-55.7	173.6	0	0	0	108.3	A549 S550 F561	I542-A549 CarbonylContact O-C 3.46Å; I542-A549 WeakPolarHBondContact O-CA 3.43Å; I542-A549 WeakPolarHBondContact O-CB 3.24Å; I542-S550 PolarHBondContact N-O 2.92Å; I542-S550 PolarHBondContact O-N 2.85Å; I542-F561 HydrophobicContact CD1-CE1 4.11Å; I542-F561 HydrophobicContact CD1-CZ 4.43Å
543	N	80	Confident	84.2	Confident	47 Å²	47	45.6 Å²	45.6	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.3	175.1	-167	-20.6	0	0	0	110.4	F541 G545	F541-N543 HydrophobicContact CE1-CB 3.81Å; F541-N543 HydrophobicContact CZ-CB 4.28Å; N543-G545 PolarHBondContact OD1-N 3.22Å
544	H	79.6	Confident	83.9	Confident	84 Å²	84	43.1 Å²	43.1	39%	0.389	25%	0.248	S	C	.	.			trans	-90.7	-2.7	179.2	-65.5	-64.5	0	0	0	113.6	N546 S548 S550	H544-N546 VanDerWaalsContact CB-OD1 3.25Å; H544-N546 WeakPolarHBondContact CB-OD1 3.31Å; H544-N546 PolarHBondContact O-N 3.3Å; H544-N546 VanDerWaalsContact O-N 3.1Å; H544-S548 WeakPolarHBondContact CB-O 3.41Å; H544-S548 PolarHBondContact CD2-OG 3.07Å; H544-S548 PolarHBondContact N-O 2.91Å; H544-S548 VanDerWaalsContact N-O 3.07Å; H544-S550 PolarHBondContact CE1-OG 2.95Å; H544-S550 PolarHBondContact NE2-N 3.27Å; H544-S550 PolarHBondContact NE2-OG 3.19Å
545	G	71.4	Confident	83.4	Confident	70 Å²	70	43 Å²	43	72%	0.722	25%	0.25	S	S	*	.	S	Bend	trans	68.1	7.2	-176.8	0	0	0	0	0	113.8	N543	N543-G545 PolarHBondContact OD1-N 3.22Å
546	N	75.6	Confident	82.7	Confident	70 Å²	70	44.5 Å²	44.5	37%	0.374	25%	0.248	S	C	.	.	S	Bend	trans	-119.8	26.1	-176.1	72.5	1.6	0	0	0	112.2	P17 H544 S548	P17-N546 HydrophobicContact CB-CB 3.78Å; P17-N546 WeakPolarHBondContact CB-O 3.07Å; P17-N546 WeakPolarHBondContact CG-O 3.48Å; H544-N546 VanDerWaalsContact CB-OD1 3.25Å; H544-N546 WeakPolarHBondContact CB-OD1 3.31Å; H544-N546 PolarHBondContact O-N 3.3Å; H544-N546 VanDerWaalsContact O-N 3.1Å; N546-S548 PolarHBondContact O-N 3.01Å; N546-S548 WeakPolarHBondContact OD1-CB 3.37Å; N546-S548 PolarHBondContact OD1-N 2.83Å; N546-S548 VanDerWaalsContact OD1-N 3.1Å; N546-S548 PolarHBondContact OD1-OG 3.27Å
547	G	77.5	Confident	81.3	Confident	22 Å²	22	49 Å²	49	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	78	-6.3	-177.6	0	0	0	0	0	114.7	A566	G547-A566 PolarHBondContact O-N 2.89Å
548	S	85.2	Confident	80.1	Confident	24 Å²	24	54.6 Å²	54.6	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	159.1	173.9	77.5	0	0	0	0	112.5	H544 N546 A564	H544-S548 WeakPolarHBondContact CB-O 3.41Å; H544-S548 PolarHBondContact CD2-OG 3.07Å; H544-S548 PolarHBondContact N-O 2.91Å; H544-S548 VanDerWaalsContact N-O 3.07Å; N546-S548 PolarHBondContact O-N 3.01Å; N546-S548 WeakPolarHBondContact OD1-CB 3.37Å; N546-S548 PolarHBondContact OD1-N 2.83Å; N546-S548 VanDerWaalsContact OD1-N 3.1Å; N546-S548 PolarHBondContact OD1-OG 3.27Å; S548-A564 CarbonylContact C-O 3.59Å; S548-A564 WeakPolarHBondContact CA-O 3.47Å
549	A	84.5	Confident	79	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.3	174	0	0	0	0	0	110.5	F541 I542 V551 I563 A564 A566	F541-A549 HydrophobicContact CD2-CB 4.01Å; F541-A549 HydrophobicContact CE1-CB 4.49Å; F541-A549 HydrophobicContact CE2-CB 3.36Å; F541-A549 HydrophobicContact CZ-CB 3.65Å; I542-A549 CarbonylContact O-C 3.46Å; I542-A549 WeakPolarHBondContact O-CA 3.43Å; I542-A549 WeakPolarHBondContact O-CB 3.24Å; A549-V551 HydrophobicContact CB-CG1 4.21Å; A549-I563 WeakPolarHBondContact O-CA 3.48Å; A549-A564 PolarHBondContact N-O 2.85Å; A549-A564 PolarHBondContact O-N 2.83Å; A549-A566 HydrophobicContact CB-CB 4Å
550	S	88	Confident	78.8	Confident	20 Å²	20	63.9 Å²	63.9	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.7	164.8	-68.6	0	0	0	0	108.8	I542 H544 F562	I542-S550 PolarHBondContact N-O 2.92Å; I542-S550 PolarHBondContact O-N 2.85Å; H544-S550 PolarHBondContact CE1-OG 2.95Å; H544-S550 PolarHBondContact NE2-N 3.27Å; H544-S550 PolarHBondContact NE2-OG 3.19Å; S550-F562 WeakPolarHBondContact CA-O 3.31Å
551	V	87.9	Confident	78.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.9	-175	-61.7	0	0	0	0	111.9	V538 N540 F541 A549 F561 F562 A564 F569	V538-V551 HydrophobicContact CG1-CB 3.94Å; V538-V551 HydrophobicContact CG1-CG1 4.21Å; V538-V551 HydrophobicContact CG2-CB 4.49Å; N540-V551 WeakPolarHBondContact O-CA 3.02Å; F541-V551 HydrophobicContact CD2-CG1 3.74Å; F541-V551 HydrophobicContact CE2-CG1 4.28Å; A549-V551 HydrophobicContact CB-CG1 4.21Å; V551-F561 WeakPolarHBondContact O-CA 3.39Å; V551-F562 HydrophobicContact CG2-CD1 4.21Å; V551-F562 HydrophobicContact CG2-CD2 3.86Å; V551-F562 HydrophobicContact CG2-CE1 3.87Å; V551-F562 HydrophobicContact CG2-CE2 3.5Å; V551-F562 VanDerWaalsContact CG2-CE2 3.5Å; V551-F562 HydrophobicContact CG2-CG 4.22Å; V551-F562 HydrophobicContact CG2-CZ 3.52Å; V551-F562 PolarHBondContact N-O 2.66Å; V551-F562 PolarHBondContact O-N 3.08Å; V551-A564 HydrophobicContact CG2-CB 4.03Å; V551-F569 HydrophobicContact CB-CE1 4.41Å; V551-F569 HydrophobicContact CB-CZ 4.22Å; V551-F569 HydrophobicContact CG1-CD1 4.45Å; V551-F569 HydrophobicContact CG1-CD2 4.29Å; V551-F569 HydrophobicContact CG1-CE1 3.96Å; V551-F569 HydrophobicContact CG1-CE2 3.8Å; V551-F569 HydrophobicContact CG1-CZ 3.62Å; V551-F569 HydrophobicContact CG2-CE1 4.36Å; V551-F569 HydrophobicContact CG2-CZ 3.89Å
552	K	87.9	Confident	79.1	Confident	30 Å²	30	68.4 Å²	68.4	13%	0.13	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.2	171.1	-179.7	-171.6	155.1	-161.9	0	109.4	V538 D539 N540 N559 F561	V538-K552 CarbonylContact C-O 3.49Å; V538-K552 WeakPolarHBondContact CA-O 3.29Å; V538-K552 WeakPolarHBondContact CG1-O 3.08Å; D539-K552 PolarHBondContact N-O 3.19Å; D539-K552 IonicContact OD2-NZ 2.67Å; N540-K552 HydrophobicContact CB-CB 4.15Å; N540-K552 PolarHBondContact O-N 3.48Å; K552-N559 WeakPolarHBondContact CE-OD1 3.36Å; K552-N559 PolarHBondContact NZ-OD1 2.86Å; K552-F561 HydrophobicContact CB-CD1 4.13Å; K552-F561 HydrophobicContact CB-CE1 4.04Å; K552-F561 HydrophobicContact CB-CZ 4.41Å
553	L	87.1	Confident	79.4	Confident	12 Å²	12	71 Å²	71	6%	0.063	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.6	176.9	-67	176.2	0	0	0	111.4	L532 D536 V538 K555 N556 F562	L532-L553 HydrophobicContact CD2-CD1 4.15Å; L532-L553 HydrophobicContact CD2-CD2 3.87Å; L532-L553 HydrophobicContact CD2-CG 4.29Å; D536-L553 HydrophobicContact CB-CD2 4.07Å; V538-L553 HydrophobicContact CG2-CD2 3.88Å; L553-K555 PolarHBondContact O-N 3.28Å; L553-N556 HydrophobicContact CB-CB 4.3Å; L553-N556 PolarHBondContact O-N 2.74Å; L553-F562 HydrophobicContact CD1-CE1 4.43Å; L553-F562 HydrophobicContact CD1-CZ 4.37Å; L553-F562 HydrophobicContact CG-CE1 4.22Å; L553-F562 HydrophobicContact CG-CZ 4.3Å
554	E	83.2	Confident	79.9	Confident	97 Å²	97	69 Å²	69	45%	0.453	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.9	176.4	-176.8	176.7	-134.2	0	0	112.2	K520 V537 D539	K520-E554 IonicContact NZ-OE1 3.55Å; K520-E554 PolarHBondContact NZ-OE1 3.07Å; V537-E554 HydrophobicContact CB-CB 4.34Å; V537-E554 HydrophobicContact CG1-CB 4.43Å; V537-E554 PolarHBondContact O-N 3.19Å; D539-E554 HydrophobicContact CB-CB 4.45Å
555	K	79.1	Confident	80.3	Confident	154 Å²	154	66.8 Å²	66.8	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.2	-177.8	-61.2	174.4	-171.3	161.5	0	114	D536 L553 A557	D536-K555 IonicContact OD1-NZ 3.77Å; D536-K555 PolarHBondContact OD1-NZ 2.73Å; L553-K555 PolarHBondContact O-N 3.28Å; K555-A557 PolarHBondContact O-N 3.28Å
556	N	72.5	Confident	81	Confident	72 Å²	72	64.2 Å²	64.2	39%	0.385	34%	0.34	S	S	.	.			trans	-81.1	108	-177.6	-84.7	-2.2	0	0	0	110.2	L553 K558	L553-N556 HydrophobicContact CB-CB 4.3Å; L553-N556 PolarHBondContact O-N 2.74Å; N556-K558 PolarHBondContact O-N 3.33Å
557	A	60.5	Low	81.3	Confident	110 Å²	110	64.4 Å²	64.4	91%	0.909	34%	0.336	S	S	*	.	S	Bend	trans	-63	-26.1	174.4	0	0	0	0	0	112.8	K555	K555-A557 PolarHBondContact O-N 3.28Å
558	K	63.2	Low	81.8	Confident	151 Å²	151	64.1 Å²	64.1	66%	0.657	33%	0.329	S	S	*	.	S	Bend	trans	-82.8	121.5	170	-67.1	-172.7	178.9	-174.5	0	108.6	N556 E560	N556-K558 PolarHBondContact O-N 3.33Å; K558-E560 HydrophobicContact CB-CG 4.37Å; K558-E560 PolarHBondContact O-N 2.59Å
559	N	63.9	Low	81.9	Confident	124 Å²	124	63.7 Å²	63.7	66%	0.663	32%	0.324	S	S	*	.			trans	-71.7	36.5	-175.6	-130.2	10.5	0	0	0	112.9	K552	K552-N559 WeakPolarHBondContact CE-OD1 3.36Å; K552-N559 PolarHBondContact NZ-OD1 2.86Å
560	E	79	Confident	81.8	Confident	127 Å²	127	70.2 Å²	70.2	59%	0.593	35%	0.349	S	S	*	.			trans	-98.7	124.9	-169.9	-71.3	174.6	-165.3	0	0	110.7	K558	K558-E560 HydrophobicContact CB-CG 4.37Å; K558-E560 PolarHBondContact O-N 2.59Å
561	F	84.8	Confident	81.4	Confident	101 Å²	101	70.7 Å²	70.7	44%	0.443	35%	0.351	S	S	.	.			trans	-75.6	141.6	167.2	-75	-91.4	0	0	0	109.8	N540 I542 V551 K552	N540-F561 HydrophobicContact CB-CE1 3.63Å; N540-F561 HydrophobicContact CB-CZ 3.75Å; I542-F561 HydrophobicContact CD1-CE1 4.11Å; I542-F561 HydrophobicContact CD1-CZ 4.43Å; V551-F561 WeakPolarHBondContact O-CA 3.39Å; K552-F561 HydrophobicContact CB-CD1 4.13Å; K552-F561 HydrophobicContact CB-CE1 4.04Å; K552-F561 HydrophobicContact CB-CZ 4.41Å
562	F	88.3	Confident	80.8	Confident	52 Å²	52	71.9 Å²	71.9	23%	0.228	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.1	166.7	63.4	-84.8	0	0	0	110.7	L532 S550 V551 L553 A564	L532-F562 HydrophobicContact CD1-CE2 4.25Å; L532-F562 HydrophobicContact CD2-CE2 3.97Å; L532-F562 HydrophobicContact CD2-CZ 3.56Å; L532-F562 HydrophobicContact CG-CE2 4.12Å; L532-F562 HydrophobicContact CG-CZ 4.17Å; S550-F562 WeakPolarHBondContact CA-O 3.31Å; V551-F562 HydrophobicContact CG2-CD1 4.21Å; V551-F562 HydrophobicContact CG2-CD2 3.86Å; V551-F562 HydrophobicContact CG2-CE1 3.87Å; V551-F562 HydrophobicContact CG2-CE2 3.5Å; V551-F562 VanDerWaalsContact CG2-CE2 3.5Å; V551-F562 HydrophobicContact CG2-CG 4.22Å; V551-F562 HydrophobicContact CG2-CZ 3.52Å; V551-F562 PolarHBondContact N-O 2.66Å; V551-F562 PolarHBondContact O-N 3.08Å; L553-F562 HydrophobicContact CD1-CE1 4.43Å; L553-F562 HydrophobicContact CD1-CZ 4.37Å; L553-F562 HydrophobicContact CG-CE1 4.22Å; L553-F562 HydrophobicContact CG-CZ 4.3Å; F562-A564 HydrophobicContact CD2-CB 4.38Å; F562-A564 HydrophobicContact CE2-CB 4.17Å
563	I	88.8	Confident	79.9	Confident	124 Å²	124	73.5 Å²	73.5	64%	0.636	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.3	-179.5	-60.4	176.2	0	0	0	108.9	A549	A549-I563 WeakPolarHBondContact O-CA 3.48Å
564	A	89.2	Confident	78.7	Confident	4 Å²	4	75 Å²	75	3%	0.033	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.5	175.2	0	0	0	0	0	110.8	L532 S548 A549 V551 F562 A566 F569	L532-A564 HydrophobicContact CD1-CB 4.03Å; S548-A564 CarbonylContact C-O 3.59Å; S548-A564 WeakPolarHBondContact CA-O 3.47Å; A549-A564 PolarHBondContact N-O 2.85Å; A549-A564 PolarHBondContact O-N 2.83Å; V551-A564 HydrophobicContact CG2-CB 4.03Å; F562-A564 HydrophobicContact CD2-CB 4.38Å; F562-A564 HydrophobicContact CE2-CB 4.17Å; A564-A566 PolarHBondContact O-N 3.23Å; A564-F569 HydrophobicContact CB-CE2 3.67Å; A564-F569 HydrophobicContact CB-CZ 3.6Å
565	P	89.2	Confident	77.3	Confident	39 Å²	39	75.7 Å²	75.7	25%	0.253	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.7	175.8	-23.7	35.3	0	0	0	112.2	L14 Y567 K568 F569	L14-P565 HydrophobicContact CD2-CB 4.12Å; P565-Y567 VanDerWaalsContact C-N 3.28Å; P565-Y567 HydrophobicContact CB-CD1 3.49Å; P565-Y567 VanDerWaalsContact CB-CD1 3.49Å; P565-Y567 HydrophobicContact CB-CE1 3.25Å; P565-Y567 HydrophobicContact CG-CE1 4.18Å; P565-Y567 PolarHBondContact O-N 3.5Å; P565-K568 HydrophobicContact CB-CD 4.39Å; P565-K568 HydrophobicContact CB-CG 4.33Å; P565-K568 HydrophobicContact CG-CD 4.41Å; P565-K568 PolarHBondContact O-N 3.31Å; P565-F569 WeakPolarHBondContact O-CE2 3.31Å
566	A	84.8	Confident	75.9	Confident	15 Å²	15	68.8 Å²	68.8	12%	0.124	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-61.7	-32.1	-168.8	0	0	0	0	0	113.8	F541 G547 A549 A564 K568 F569	F541-A566 HydrophobicContact CZ-CB 4.43Å; G547-A566 PolarHBondContact O-N 2.89Å; A549-A566 HydrophobicContact CB-CB 4Å; A564-A566 PolarHBondContact O-N 3.23Å; A566-K568 PolarHBondContact O-N 3.27Å; A566-K568 VanDerWaalsContact O-N 3.12Å; A566-F569 PolarHBondContact O-N 3.3Å
567	Y	81.7	Confident	74.2	Confident	74 Å²	74	74.8 Å²	74.8	29%	0.29	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-65.3	-12.4	-179	79.3	-77.4	0	0	0	115	L14 I525 P565 F569	L14-Y567 HydrophobicContact CD1-CD1 3.28Å; L14-Y567 HydrophobicContact CD1-CD2 3.82Å; L14-Y567 HydrophobicContact CD1-CE1 3.2Å; L14-Y567 HydrophobicContact CD1-CE2 3.8Å; L14-Y567 HydrophobicContact CD1-CG 3.55Å; L14-Y567 VanDerWaalsContact CD1-CZ 3.49Å; L14-Y567 HydrophobicContact CD2-CD1 3.39Å; L14-Y567 HydrophobicContact CD2-CE1 3.4Å; L14-Y567 VanDerWaalsContact CD2-CE1 3.4Å; L14-Y567 HydrophobicContact CD2-CG 4.38Å; L14-Y567 HydrophobicContact CG-CD1 3.64Å; L14-Y567 HydrophobicContact CG-CE1 3.81Å; L14-Y567 HydrophobicContact CG-CG 4.18Å; I525-Y567 HydrophobicContact CD1-CD2 3.69Å; I525-Y567 HydrophobicContact CD1-CE2 3.58Å; P565-Y567 VanDerWaalsContact C-N 3.28Å; P565-Y567 HydrophobicContact CB-CD1 3.49Å; P565-Y567 VanDerWaalsContact CB-CD1 3.49Å; P565-Y567 HydrophobicContact CB-CE1 3.25Å; P565-Y567 HydrophobicContact CG-CE1 4.18Å; P565-Y567 PolarHBondContact O-N 3.5Å; Y567-F569 PolarHBondContact O-N 3.27Å
568	K	89.5	Confident	73.2	Confident	17 Å²	17	73.9 Å²	73.9	7%	0.074	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-80.3	-7	-178.8	-62.3	-170.4	-179.2	-176.4	0	113.2	I524 I525 D527 P565 A566	I524-K568 WeakPolarHBondContact CG1-O 3.41Å; I524-K568 PolarHBondContact N-O 3.3Å; I525-K568 HydrophobicContact CB-CB 4.11Å; I525-K568 HydrophobicContact CB-CG 4.02Å; I525-K568 HydrophobicContact CG2-CD 4.4Å; I525-K568 HydrophobicContact CG2-CG 4.22Å; I525-K568 PolarHBondContact N-O 3.25Å; D527-K568 HydrophobicContact CB-CD 4.14Å; D527-K568 IonicContact OD1-NZ 3.41Å; D527-K568 IonicContact OD2-NZ 2.82Å; D527-K568 PolarHBondContact OD2-NZ 3.42Å; P565-K568 HydrophobicContact CB-CD 4.39Å; P565-K568 HydrophobicContact CB-CG 4.33Å; P565-K568 HydrophobicContact CG-CD 4.41Å; P565-K568 PolarHBondContact O-N 3.31Å; A566-K568 PolarHBondContact O-N 3.27Å; A566-K568 VanDerWaalsContact O-N 3.12Å
569	F	86.8	Confident	71.8	Confident	15 Å²	15	75.8 Å²	75.8	7%	0.066	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.4	-173.5	-52.4	-83	0	0	0	110.8	F521 D522 V523 L532 V538 F541 V551 A564 P565 A566 Y567	F521-F569 HydrophobicContact CB-CB 4.4Å; F521-F569 HydrophobicContact CD1-CB 4.01Å; D522-F569 WeakPolarHBondContact O-CA 3.3Å; V523-F569 HydrophobicContact CG2-CD1 3.99Å; V523-F569 HydrophobicContact CG2-CE1 3.79Å; L532-F569 HydrophobicContact CD1-CE1 3.97Å; L532-F569 HydrophobicContact CD1-CZ 3.55Å; L532-F569 HydrophobicContact CD2-CE1 4.25Å; L532-F569 HydrophobicContact CD2-CZ 4.46Å; V538-F569 HydrophobicContact CG2-CD1 3.68Å; V538-F569 HydrophobicContact CG2-CE1 3.64Å; F541-F569 HydrophobicContact CD2-CB 4.17Å; F541-F569 HydrophobicContact CD2-CD2 4.3Å; F541-F569 HydrophobicContact CD2-CG 4.18Å; F541-F569 HydrophobicContact CE2-CB 3.81Å; F541-F569 AromaticContact CE2-CD2 3.73Å; F541-F569 HydrophobicContact CE2-CD2 3.73Å; F541-F569 AromaticContact CE2-CG 3.92Å; F541-F569 HydrophobicContact CE2-CG 3.92Å; V551-F569 HydrophobicContact CB-CE1 4.41Å; V551-F569 HydrophobicContact CB-CZ 4.22Å; V551-F569 HydrophobicContact CG1-CD1 4.45Å; V551-F569 HydrophobicContact CG1-CD2 4.29Å; V551-F569 HydrophobicContact CG1-CE1 3.96Å; V551-F569 HydrophobicContact CG1-CE2 3.8Å; V551-F569 HydrophobicContact CG1-CZ 3.62Å; V551-F569 HydrophobicContact CG2-CE1 4.36Å; V551-F569 HydrophobicContact CG2-CZ 3.89Å; A564-F569 HydrophobicContact CB-CE2 3.67Å; A564-F569 HydrophobicContact CB-CZ 3.6Å; P565-F569 WeakPolarHBondContact O-CE2 3.31Å; A566-F569 PolarHBondContact O-N 3.3Å; Y567-F569 PolarHBondContact O-N 3.27Å
570	R	83.1	Confident	72.1	Confident	137 Å²	137	73.4 Å²	73.4	52%	0.517	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.8	172.7	-175.3	-174.5	67.2	179.9	-0.8	109	F521 D522 I524 T572	F521-R570 CarbonylContact C-O 3.59Å; F521-R570 VanDerWaalsContact CA-O 3.27Å; F521-R570 WeakPolarHBondContact CA-O 3.18Å; D522-R570 PolarHBondContact N-O 3.2Å; D522-R570 PolarHBondContact O-N 2.79Å; D522-R570 IonicContact OD2-NH2 3.21Å; I524-R570 HydrophobicContact CD1-CB 4.24Å; I524-R570 HydrophobicContact CG1-CB 4.44Å; I524-R570 HydrophobicContact CG2-CB 3.76Å; R570-T572 PolarHBondContact O-N 3.18Å
571	P	78.2	Confident	71.8	Confident	29 Å²	29	70.6 Å²	70.6	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	137.3	175.9	24.7	-33.5	0	0	0	110.8	Y516 L519 F521 I573	Y516-P571 HydrophobicContact CE1-CB 4Å; Y516-P571 HydrophobicContact CE1-CG 4.14Å; L519-P571 HydrophobicContact CD1-CB 4.29Å; F521-P571 HydrophobicContact CD1-CB 4.26Å; F521-P571 VanDerWaalsContact CD1-N 3.3Å; F521-P571 HydrophobicContact CE1-CB 3.89Å; F521-P571 HydrophobicContact CE1-CG 4.31Å; F521-P571 HydrophobicContact CE2-CB 4.42Å; F521-P571 HydrophobicContact CZ-CB 3.97Å; P571-I573 PolarHBondContact O-N 3.46Å
572	T	76.1	Confident	71.1	Confident	26 Å²	26	68.9 Å²	68.9	16%	0.16	33%	0.328	C	S	.	.			trans	-80	112	173.8	-50.3	0	0	0	0	107.8	K520 D522 R570 N574	K520-T572 WeakPolarHBondContact O-CB 3.46Å; K520-T572 PolarHBondContact O-N 2.74Å; K520-T572 PolarHBondContact O-OG1 2.9Å; D522-T572 PolarHBondContact N-OG1 3Å; D522-T572 PolarHBondContact OD1-OG1 3.4Å; R570-T572 PolarHBondContact O-N 3.18Å; T572-N574 PolarHBondContact O-N 2.99Å
573	I	68.2	Low	70	Confident	64 Å²	64	69.9 Å²	69.9	33%	0.328	33%	0.334	S	S	.	.			trans	-86.5	103.4	178.2	-58.1	177	0	0	0	107.6	L293 L302 P571	L293-I573 HydrophobicContact CD1-CG2 4.01Å; L302-I573 HydrophobicContact CD2-CD1 3.4Å; L302-I573 HydrophobicContact CD2-CG2 4.45Å; P571-I573 PolarHBondContact O-N 3.46Å
574	N	62.8	Low	68.9	Low	44 Å²	44	66.5 Å²	66.5	24%	0.235	32%	0.315	C	S	.	.			trans	-75.5	139.9	179	-70.4	-29.1	0	0	0	111.2	H286 T572	H286-N574 PolarHBondContact CD2-ND2 2.68Å; H286-N574 PolarHBondContact NE2-ND2 3.45Å; T572-N574 PolarHBondContact O-N 2.99Å
575	M	54.6	Low	67.5	Low	110 Å²	110	70.7 Å²	70.7	54%	0.542	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.5	175.3	-61.5	175.3	-76.7	0	0	107.7	N298	N298-M575 WeakPolarHBondContact ND2-CG 3.31Å; N298-M575 PolarHBondContact ND2-SD 3.33Å
576	T	48.2	Very low	66	Low	9 Å²	9	72.9 Å²	72.9	6%	0.055	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.7	170.5	46.5	0	0	0	0	111.5	N287 V292 I295 F578	N287-T576 HydrophobicContact CB-CG2 3.98Å; N287-T576 WeakPolarHBondContact O-CG2 3.31Å; V292-T576 HydrophobicContact CB-CG2 4.32Å; V292-T576 HydrophobicContact CG1-CG2 3.23Å; V292-T576 WeakPolarHBondContact CG1-OG1 3.41Å; V292-T576 HydrophobicContact CG2-CG2 4.17Å; I295-T576 WeakPolarHBondContact CB-O 3.41Å; T576-F578 HydrophobicContact CG2-CD2 4.18Å; T576-F578 HydrophobicContact CG2-CE2 3.62Å; T576-F578 HydrophobicContact CG2-CZ 4.49Å
577	W	37.8	Very low	64.5	Low	198 Å²	198	77.4 Å²	77.4	75%	0.75	36%	0.356	S	S	*	.			trans	-86.2	105.6	160.4	-64.6	84.3	0	0	0	106.9	I295	I295-W577 HydrophobicContact CD1-CD2 3.57Å; I295-W577 VanDerWaalsContact CD1-CE2 3.47Å; I295-W577 HydrophobicContact CD1-CE3 3.88Å; I295-W577 HydrophobicContact CD1-CG 4.08Å; I295-W577 HydrophobicContact CD1-CH2 4.03Å; I295-W577 HydrophobicContact CD1-CZ2 3.73Å; I295-W577 HydrophobicContact CD1-CZ3 4.1Å
578	F	39.6	Very low	63.1	Low	92 Å²	92	77.7 Å²	77.7	40%	0.404	36%	0.362	S	S	.	.			trans	-126.8	114.1	159.9	-68.5	-66.4	0	0	0	106	E231 N287 T576	E231-F578 HydrophobicContact CB-CD2 4.28Å; E231-F578 VanDerWaalsContact O-CB 3.31Å; E231-F578 WeakPolarHBondContact O-CB 3.13Å; N287-F578 HydrophobicContact CB-CZ 4.28Å; T576-F578 HydrophobicContact CG2-CD2 4.18Å; T576-F578 HydrophobicContact CG2-CE2 3.62Å; T576-F578 HydrophobicContact CG2-CZ 4.49Å
579	N	32.5	Very low	60.7	Low	191 Å²	191	83.2 Å²	83.2	100%	1.021	39%	0.388	S	S	*	.			trans	-85.8	0	172.6	-102	10	0	0	0	109.5

Retrieved 579 of 579 residues in 1272.8 ms (Link to these results)

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