A0A087Y169_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087Y169, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 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	41.3	Very low	49.4	Very low	245 Å²	245	128.2 Å²	128.2	100%	1.207	86%	0.859	S	S	*	*				0	96.9	0	-78.5	177.8	171.9	0	0	107.9
2	A	40	Very low	51	Low	98 Å²	98	127.9 Å²	127.9	81%	0.81	86%	0.855	S	S	*	*			trans	-88.7	118.9	173.8	0	0	0	0	0	108	T4	A2-T4 PolarHBondContact O-N 3.06Å
3	M	42.5	Very low	52.9	Low	190 Å²	190	126.5 Å²	126.5	94%	0.936	83%	0.83	S	S	*	*			trans	-79.1	111	172.4	-72.9	-82.4	-97.6	0	0	107.9	G5	M3-G5 PolarHBondContact O-N 3.48Å
4	T	46	Very low	54.9	Low	135 Å²	135	121.6 Å²	121.6	83%	0.828	80%	0.8	S	S	*	*			trans	-72.1	115.7	173.4	41.3	0	0	0	0	109.5	A2 G6	A2-T4 PolarHBondContact O-N 3.06Å; T4-G6 PolarHBondContact O-N 3.26Å; T4-G6 VanDerWaalsContact O-N 3.16Å
5	G	48.1	Very low	56.3	Low	77 Å²	77	121.3 Å²	121.3	79%	0.794	79%	0.788	S	S	*	*			trans	-70.3	103	169.6	0	0	0	0	0	110.2	M3 T7	M3-G5 PolarHBondContact O-N 3.48Å; G5-T7 PolarHBondContact O-N 2.99Å
6	G	43.3	Very low	57.5	Low	76 Å²	76	121.1 Å²	121.1	78%	0.784	77%	0.773	S	S	*	*			trans	-72.5	107.6	168.1	0	0	0	0	0	109.8	T4 A8	T4-G6 PolarHBondContact O-N 3.26Å; T4-G6 VanDerWaalsContact O-N 3.16Å; G6-A8 PolarHBondContact O-N 3.45Å
7	T	52.5	Low	58.9	Low	139 Å²	139	117.6 Å²	117.6	85%	0.853	75%	0.75	S	S	*	*			trans	-64.5	114.9	164	35	0	0	0	0	108.3	G5 A9	G5-T7 PolarHBondContact O-N 2.99Å; T7-A9 PolarHBondContact O-N 3.02Å
8	A	52.7	Low	59.9	Low	100 Å²	100	119.5 Å²	119.5	83%	0.826	74%	0.74	S	S	*	*			trans	-59.6	110	172.7	0	0	0	0	0	108.8	G6 A10	G6-A8 PolarHBondContact O-N 3.45Å; A8-A10 PolarHBondContact O-N 2.97Å; A8-A10 VanDerWaalsContact O-N 3.11Å
9	A	54.2	Low	60.7	Low	94 Å²	94	118.8 Å²	118.8	78%	0.777	73%	0.728	S	S	*	*			trans	-62	114.1	172.2	0	0	0	0	0	108.2	T7 L11	T7-A9 PolarHBondContact O-N 3.02Å; A9-L11 PolarHBondContact O-N 3.38Å; A9-L11 VanDerWaalsContact O-N 3.08Å
10	A	61	Low	61.7	Low	96 Å²	96	121.6 Å²	121.6	79%	0.793	72%	0.724	S	S	*	*			trans	-58.2	115.9	172.8	0	0	0	0	0	108.3	A8	A8-A10 PolarHBondContact O-N 2.97Å; A8-A10 VanDerWaalsContact O-N 3.11Å
11	L	61.8	Low	62.7	Low	160 Å²	160	119.7 Å²	119.7	84%	0.838	71%	0.713	S	S	*	*			trans	-55.2	126.8	174.3	-75.9	161.8	0	0	0	108.4	A9 M13	A9-L11 PolarHBondContact O-N 3.38Å; A9-L11 VanDerWaalsContact O-N 3.08Å; L11-M13 PolarHBondContact O-N 3.2Å
12	P	68.9	Low	64.5	Low	125 Å²	125	111.8 Å²	111.8	81%	0.812	68%	0.679	S	S	*	*			trans	-63.4	112.3	-178.6	22.8	-30.3	0	0	0	109.1	S14	P12-S14 PolarHBondContact O-N 3.35Å
13	M	75.4	Confident	66.3	Low	109 Å²	109	109.7 Å²	109.7	54%	0.537	66%	0.656	S	S	.	*			trans	-61.1	128	175.1	-80.2	-176.3	50.8	0	0	109.9	L11 T17 R18	L11-M13 PolarHBondContact O-N 3.2Å; M13-T17 HydrophobicContact CE-CG2 3.89Å; M13-R18 HydrophobicContact CB-CG 4.19Å; M13-R18 HydrophobicContact CE-CG 3.83Å
14	S	81.7	Confident	68.2	Low	59 Å²	59	103 Å²	103	41%	0.413	63%	0.631	S	S	.	*			trans	-60.9	148.9	175.6	82.7	0	0	0	0	111.2	P12 H16 T17 R18	P12-S14 PolarHBondContact O-N 3.35Å; S14-H16 PolarHBondContact O-N 2.88Å; S14-T17 PolarHBondContact O-N 3.25Å; S14-T17 PolarHBondContact OG-N 3.34Å; S14-T17 PolarHBondContact OG-OG1 3.15Å; S14-R18 PolarHBondContact O-N 3.39Å
15	N	74.6	Confident	70.1	Confident	116 Å²	116	102.5 Å²	102.5	62%	0.62	62%	0.617	S	S	*	*	H	α-helix	trans	-56.9	-36.3	174.7	-74	-18.2	0	0	0	111.7	T17 R18 E19	N15-T17 PolarHBondContact O-N 3.01Å; N15-R18 PolarHBondContact O-N 3.25Å; N15-E19 WeakPolarHBondContact O-CG 3.22Å; N15-E19 PolarHBondContact O-N 3.33Å
16	H	75.6	Confident	71.5	Confident	118 Å²	118	101.9 Å²	101.9	55%	0.546	60%	0.596	S	S	.	*	H	α-helix	trans	-59	-44.9	173.9	-179.9	73	0	0	0	112.5	S14 E19 R20	S14-H16 PolarHBondContact O-N 2.88Å; H16-E19 PolarHBondContact O-N 3.41Å; H16-R20 WeakPolarHBondContact NE2-CD 3.41Å; H16-R20 WeakPolarHBondContact O-CG 3.3Å; H16-R20 PolarHBondContact O-N 2.8Å
17	T	81.4	Confident	73.1	Confident	62 Å²	62	101.4 Å²	101.4	38%	0.38	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-40.6	177.1	-47.7	0	0	0	0	111.1	M13 S14 N15 R20 V21	M13-T17 HydrophobicContact CE-CG2 3.89Å; S14-T17 PolarHBondContact O-N 3.25Å; S14-T17 PolarHBondContact OG-N 3.34Å; S14-T17 PolarHBondContact OG-OG1 3.15Å; N15-T17 PolarHBondContact O-N 3.01Å; T17-R20 PolarHBondContact O-N 2.94Å; T17-V21 WeakPolarHBondContact O-CG2 3.26Å; T17-V21 PolarHBondContact O-N 2.85Å
18	R	77.2	Confident	74.8	Confident	152 Å²	152	99.8 Å²	99.8	57%	0.574	56%	0.563	S	S	*	*	H	α-helix	trans	-61.8	-46	176.8	-67.9	176.3	75.8	171.6	3.7	111.7	M13 S14 N15 R20 V21 T22	M13-R18 HydrophobicContact CB-CG 4.19Å; M13-R18 HydrophobicContact CE-CG 3.83Å; S14-R18 PolarHBondContact O-N 3.39Å; N15-R18 PolarHBondContact O-N 3.25Å; R18-R20 PolarHBondContact O-N 3.07Å; R18-V21 PolarHBondContact O-N 3.31Å; R18-T22 PolarHBondContact O-N 3.36Å; R18-T22 PolarHBondContact O-OG1 3.04Å
19	E	74.4	Confident	76.3	Confident	106 Å²	106	99.8 Å²	99.8	50%	0.495	55%	0.546	S	S	.	.	H	α-helix	trans	-59.9	-45.9	175.9	-75.3	172.9	-173.9	0	0	111.8	N15 H16 V21 T22 V23	N15-E19 WeakPolarHBondContact O-CG 3.22Å; N15-E19 PolarHBondContact O-N 3.33Å; H16-E19 PolarHBondContact O-N 3.41Å; E19-V21 VanDerWaalsContact C-N 3.34Å; E19-V21 PolarHBondContact O-N 3.26Å; E19-T22 PolarHBondContact O-N 3.1Å; E19-V23 WeakPolarHBondContact O-CG2 3.17Å; E19-V23 PolarHBondContact O-N 3.04Å
20	R	80.7	Confident	77.4	Confident	174 Å²	174	97.5 Å²	97.5	66%	0.657	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-39.1	177.8	-74.2	-168.5	68.1	-176.6	0.8	113.1	H16 T17 R18 V23 A24	H16-R20 WeakPolarHBondContact NE2-CD 3.41Å; H16-R20 WeakPolarHBondContact O-CG 3.3Å; H16-R20 PolarHBondContact O-N 2.8Å; T17-R20 PolarHBondContact O-N 2.94Å; R18-R20 PolarHBondContact O-N 3.07Å; R20-V23 PolarHBondContact O-N 2.65Å; R20-A24 VanDerWaalsContact O-CB 3.31Å; R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.4Å
21	V	84.6	Confident	78.4	Confident	83 Å²	83	98.6 Å²	98.6	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.1	170.8	0	0	0	0	110.5	T17 R18 E19 A24 K25	T17-V21 WeakPolarHBondContact O-CG2 3.26Å; T17-V21 PolarHBondContact O-N 2.85Å; R18-V21 PolarHBondContact O-N 3.31Å; E19-V21 VanDerWaalsContact C-N 3.34Å; E19-V21 PolarHBondContact O-N 3.26Å; V21-A24 PolarHBondContact O-N 2.91Å; V21-K25 WeakPolarHBondContact O-CB 3.39Å; V21-K25 PolarHBondContact O-N 2.65Å
22	T	78	Confident	79.6	Confident	78 Å²	78	97.7 Å²	97.7	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-47	175.7	-62.9	0	0	0	0	111.5	R18 E19 A24 K25 L26	R18-T22 PolarHBondContact O-N 3.36Å; R18-T22 PolarHBondContact O-OG1 3.04Å; E19-T22 PolarHBondContact O-N 3.1Å; T22-A24 PolarHBondContact O-N 3.42Å; T22-K25 PolarHBondContact O-N 2.77Å; T22-L26 HydrophobicContact CG2-CD1 3.96Å; T22-L26 HydrophobicContact CG2-CG 4.46Å; T22-L26 WeakPolarHBondContact O-CB 3.36Å; T22-L26 VanDerWaalsContact O-CG 3.32Å; T22-L26 WeakPolarHBondContact O-CG 3.35Å; T22-L26 PolarHBondContact O-N 2.98Å
23	V	77.7	Confident	80.3	Confident	54 Å²	54	95 Å²	95	33%	0.327	48%	0.478	S	S	.	.	H	α-helix	trans	-61.8	-44.4	177.1	172.7	0	0	0	0	111.2	E19 R20 L26 T27 W435	E19-V23 WeakPolarHBondContact O-CG2 3.17Å; E19-V23 PolarHBondContact O-N 3.04Å; R20-V23 PolarHBondContact O-N 2.65Å; V23-L26 PolarHBondContact O-N 3.2Å; V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.25Å; V23-T27 PolarHBondContact O-N 3.26Å; V23-T27 PolarHBondContact O-OG1 3.18Å; V23-W435 HydrophobicContact CG2-CB 4.02Å; V23-W435 HydrophobicContact CG2-CG 4.47Å
24	A	83.3	Confident	80.5	Confident	51 Å²	51	92.2 Å²	92.2	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-45	178.5	0	0	0	0	0	111.8	R20 V21 T22 T27 L28	R20-A24 VanDerWaalsContact O-CB 3.31Å; R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.4Å; V21-A24 PolarHBondContact O-N 2.91Å; T22-A24 PolarHBondContact O-N 3.42Å; A24-T27 PolarHBondContact O-N 3.2Å; A24-L28 WeakPolarHBondContact O-CG 3.45Å; A24-L28 PolarHBondContact O-N 3.06Å
25	K	84.4	Confident	80.7	Confident	123 Å²	123	93.7 Å²	93.7	54%	0.535	47%	0.47	S	S	.	.	H	α-helix	trans	-58.4	-53.5	175.8	-179.9	179.3	172.3	-179.3	0	111.2	V21 T22 T27 L28 E29	V21-K25 WeakPolarHBondContact O-CB 3.39Å; V21-K25 PolarHBondContact O-N 2.65Å; T22-K25 PolarHBondContact O-N 2.77Å; K25-T27 VanDerWaalsContact C-N 3.26Å; K25-T27 PolarHBondContact O-N 3.27Å; K25-L28 PolarHBondContact O-N 3.05Å; K25-E29 WeakPolarHBondContact CE-OE1 3.29Å; K25-E29 HydrophobicContact CG-CG 4.44Å; K25-E29 IonicContact NZ-OE1 3.8Å; K25-E29 WeakPolarHBondContact O-CG 2.99Å; K25-E29 PolarHBondContact O-N 2.83Å
26	L	78.1	Confident	81.3	Confident	65 Å²	65	93.3 Å²	93.3	34%	0.34	47%	0.468	S	S	.	.	H	α-helix	trans	-59.4	-38.2	179.1	-71.4	172.7	0	0	0	112	T22 V23 N30 W435 L438	T22-L26 HydrophobicContact CG2-CD1 3.96Å; T22-L26 HydrophobicContact CG2-CG 4.46Å; T22-L26 WeakPolarHBondContact O-CB 3.36Å; T22-L26 VanDerWaalsContact O-CG 3.32Å; T22-L26 WeakPolarHBondContact O-CG 3.35Å; T22-L26 PolarHBondContact O-N 2.98Å; V23-L26 PolarHBondContact O-N 3.2Å; L26-N30 WeakPolarHBondContact O-CB 3.28Å; L26-N30 PolarHBondContact O-N 3.19Å; L26-W435 HydrophobicContact CD1-CE3 4.46Å; L26-L438 HydrophobicContact CB-CD1 4.48Å
27	T	77.8	Confident	81.7	Confident	66 Å²	66	90.6 Å²	90.6	41%	0.405	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-43.8	178.2	-57.6	0	0	0	0	111.5	V23 A24 K25 F31	V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.25Å; V23-T27 PolarHBondContact O-N 3.26Å; V23-T27 PolarHBondContact O-OG1 3.18Å; A24-T27 PolarHBondContact O-N 3.2Å; K25-T27 VanDerWaalsContact C-N 3.26Å; K25-T27 PolarHBondContact O-N 3.27Å; T27-F31 WeakPolarHBondContact O-CB 3.33Å; T27-F31 PolarHBondContact O-N 3.16Å
28	L	86.6	Confident	81.7	Confident	105 Å²	105	90.6 Å²	90.6	55%	0.55	46%	0.455	S	S	.	.	H	α-helix	trans	-69	-47.2	179.1	-74.2	170.5	0	0	0	112.2	A24 K25 N30 F31 Y32	A24-L28 WeakPolarHBondContact O-CG 3.45Å; A24-L28 PolarHBondContact O-N 3.06Å; K25-L28 PolarHBondContact O-N 3.05Å; L28-N30 VanDerWaalsContact C-N 3.27Å; L28-N30 PolarHBondContact O-N 2.85Å; L28-F31 PolarHBondContact O-N 3.35Å; L28-Y32 WeakPolarHBondContact O-CD2 3.4Å; L28-Y32 PolarHBondContact O-N 3.02Å; L28-Y32 VanDerWaalsContact O-N 3.12Å
29	E	84.3	Confident	82.2	Confident	100 Å²	100	88.4 Å²	88.4	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-56.8	-46.1	176.4	-73.5	175.4	165.4	0	0	110.3	K25 F31 S33	K25-E29 WeakPolarHBondContact CE-OE1 3.29Å; K25-E29 HydrophobicContact CG-CG 4.44Å; K25-E29 IonicContact NZ-OE1 3.8Å; K25-E29 WeakPolarHBondContact O-CG 2.99Å; K25-E29 PolarHBondContact O-N 2.83Å; E29-F31 PolarHBondContact O-N 3.49Å; E29-S33 VanDerWaalsContact O-CB 3.27Å; E29-S33 WeakPolarHBondContact O-CB 3.31Å; E29-S33 PolarHBondContact O-N 3.09Å
30	N	77.3	Confident	82.9	Confident	45 Å²	45	88.6 Å²	88.6	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-64.1	-42	177	-179.7	65.7	0	0	0	113.2	L26 L28 Y32 S33 T34 N439	L26-N30 WeakPolarHBondContact O-CB 3.28Å; L26-N30 PolarHBondContact O-N 3.19Å; L28-N30 VanDerWaalsContact C-N 3.27Å; L28-N30 PolarHBondContact O-N 2.85Å; N30-Y32 PolarHBondContact O-N 2.71Å; N30-S33 PolarHBondContact O-N 2.84Å; N30-T34 WeakPolarHBondContact O-CB 3.19Å; N30-T34 PolarHBondContact O-N 2.81Å; N30-T34 PolarHBondContact O-OG1 2.67Å; N30-T34 PolarHBondContact OD1-OG1 2.97Å; N30-N439 VanDerWaalsContact CG-CG 3.4Å; N30-N439 VanDerWaalsContact CG-ND2 3.33Å; N30-N439 PolarHBondContact ND2-OD1 3.09Å; N30-N439 PolarHBondContact OD1-ND2 3.47Å; N30-N439 PolarHBondContact OD1-OD1 3.34Å
31	F	83.3	Confident	83.1	Confident	120 Å²	120	83.7 Å²	83.7	53%	0.526	44%	0.437	S	S	.	.	H	α-helix	trans	-57.5	-50.3	179.7	174.3	-95.7	0	0	0	111.2	T27 L28 E29 L35	T27-F31 WeakPolarHBondContact O-CB 3.33Å; T27-F31 PolarHBondContact O-N 3.16Å; L28-F31 PolarHBondContact O-N 3.35Å; E29-F31 PolarHBondContact O-N 3.49Å; F31-L35 HydrophobicContact CE1-CD2 4.47Å; F31-L35 WeakPolarHBondContact O-CB 3.38Å; F31-L35 PolarHBondContact O-N 2.9Å
32	Y	87.1	Confident	83.3	Confident	141 Å²	141	85.2 Å²	85.2	55%	0.553	43%	0.433	S	S	*	.	H	α-helix	trans	-71.6	-39.8	-179.3	-77	-71.5	0	0	0	112.8	L28 N30 T34 L35 L36	L28-Y32 WeakPolarHBondContact O-CD2 3.4Å; L28-Y32 PolarHBondContact O-N 3.02Å; L28-Y32 VanDerWaalsContact O-N 3.12Å; N30-Y32 PolarHBondContact O-N 2.71Å; Y32-T34 PolarHBondContact O-N 3.27Å; Y32-L35 HydrophobicContact CD1-CD2 4.49Å; Y32-L35 PolarHBondContact O-N 3.15Å; Y32-L36 WeakPolarHBondContact O-CG 3.47Å; Y32-L36 PolarHBondContact O-N 3.14Å
33	S	82.7	Confident	83.9	Confident	68 Å²	68	85.5 Å²	85.5	48%	0.476	43%	0.429	S	S	.	.	H	α-helix	trans	-59.2	-48.4	174.3	173.2	0	0	0	0	111	E29 N30 L35 L36 T37	E29-S33 VanDerWaalsContact O-CB 3.27Å; E29-S33 WeakPolarHBondContact O-CB 3.31Å; E29-S33 PolarHBondContact O-N 3.09Å; N30-S33 PolarHBondContact O-N 2.84Å; S33-L35 VanDerWaalsContact C-N 3.33Å; S33-L35 PolarHBondContact O-N 2.72Å; S33-L36 PolarHBondContact O-N 3.3Å; S33-T37 PolarHBondContact O-N 2.99Å; S33-T37 PolarHBondContact O-OG1 2.95Å; S33-T37 VanDerWaalsContact O-OG1 3.12Å
34	T	80.3	Confident	84.4	Confident	51 Å²	51	88.2 Å²	88.2	31%	0.313	44%	0.44	S	S	.	.	H	α-helix	trans	-60.4	-43	176.5	-61.8	0	0	0	0	111.1	N30 Y32 L36 T37 Q38	N30-T34 WeakPolarHBondContact O-CB 3.19Å; N30-T34 PolarHBondContact O-N 2.81Å; N30-T34 PolarHBondContact O-OG1 2.67Å; N30-T34 PolarHBondContact OD1-OG1 2.97Å; Y32-T34 PolarHBondContact O-N 3.27Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.38Å; T34-T37 PolarHBondContact O-N 2.73Å; T34-Q38 HydrophobicContact CG2-CG 4.2Å; T34-Q38 WeakPolarHBondContact O-CB 3.28Å; T34-Q38 WeakPolarHBondContact O-CG 2.95Å; T34-Q38 PolarHBondContact O-N 3.36Å
35	L	84.8	Confident	84.8	Confident	89 Å²	89	88.1 Å²	88.1	47%	0.466	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-43	179.7	-175	67.8	0	0	0	112.1	F31 Y32 S33 H39	F31-L35 HydrophobicContact CE1-CD2 4.47Å; F31-L35 WeakPolarHBondContact O-CB 3.38Å; F31-L35 PolarHBondContact O-N 2.9Å; Y32-L35 HydrophobicContact CD1-CD2 4.49Å; Y32-L35 PolarHBondContact O-N 3.15Å; S33-L35 VanDerWaalsContact C-N 3.33Å; S33-L35 PolarHBondContact O-N 2.72Å; L35-H39 PolarHBondContact O-N 3.32Å
36	L	87.2	Confident	85.1	Confident	109 Å²	109	87.1 Å²	87.1	57%	0.571	43%	0.426	S	S	*	.	H	α-helix	trans	-65.1	-51.6	177.5	-71.2	170.3	0	0	0	111.4	Y32 S33 T34 Q38 H39 E40	Y32-L36 WeakPolarHBondContact O-CG 3.47Å; Y32-L36 PolarHBondContact O-N 3.14Å; S33-L36 PolarHBondContact O-N 3.3Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.38Å; L36-Q38 VanDerWaalsContact C-N 3.25Å; L36-Q38 PolarHBondContact O-N 3.1Å; L36-H39 WeakPolarHBondContact O-CB 3.09Å; L36-H39 PolarHBondContact O-N 3.06Å; L36-E40 PolarHBondContact O-N 2.78Å
37	T	83.9	Confident	85.8	Confident	61 Å²	61	90.6 Å²	90.6	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-57.2	-40.7	178.1	-56.3	0	0	0	0	111.5	S33 T34 H39 E40 E41	S33-T37 PolarHBondContact O-N 2.99Å; S33-T37 PolarHBondContact O-OG1 2.95Å; S33-T37 VanDerWaalsContact O-OG1 3.12Å; T34-T37 PolarHBondContact O-N 2.73Å; T37-H39 VanDerWaalsContact C-N 3.3Å; T37-H39 PolarHBondContact O-N 3.47Å; T37-E40 PolarHBondContact O-N 2.96Å; T37-E41 HydrophobicContact CG2-CG 4.32Å; T37-E41 WeakPolarHBondContact O-CB 3.38Å; T37-E41 VanDerWaalsContact O-CG 3.29Å; T37-E41 WeakPolarHBondContact O-CG 3.35Å; T37-E41 PolarHBondContact O-N 3.15Å
38	Q	83.1	Confident	86.4	Confident	61 Å²	61	94.8 Å²	94.8	29%	0.285	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-34.1	177.7	-73.2	-178.8	14.6	0	0	113.6	T34 L36 R42 K81	T34-Q38 HydrophobicContact CG2-CG 4.2Å; T34-Q38 WeakPolarHBondContact O-CB 3.28Å; T34-Q38 WeakPolarHBondContact O-CG 2.95Å; T34-Q38 PolarHBondContact O-N 3.36Å; L36-Q38 VanDerWaalsContact C-N 3.25Å; L36-Q38 PolarHBondContact O-N 3.1Å; Q38-R42 WeakPolarHBondContact O-CB 3.45Å; Q38-R42 PolarHBondContact O-N 3.36Å; Q38-K81 VanDerWaalsContact CG-NZ 3.29Å
39	H	86.9	Confident	86.5	Confident	107 Å²	107	91.3 Å²	91.3	50%	0.495	43%	0.433	S	S	.	.	H	α-helix	trans	-68.2	-49	175	179.2	63.6	0	0	0	110.5	L35 L36 T37 E41 R42 E43	L35-H39 PolarHBondContact O-N 3.32Å; L36-H39 WeakPolarHBondContact O-CB 3.09Å; L36-H39 PolarHBondContact O-N 3.06Å; T37-H39 VanDerWaalsContact C-N 3.3Å; T37-H39 PolarHBondContact O-N 3.47Å; H39-E41 PolarHBondContact O-N 2.84Å; H39-R42 WeakPolarHBondContact O-CB 3.37Å; H39-R42 PolarHBondContact O-N 3.37Å; H39-R42 VanDerWaalsContact O-N 3.15Å; H39-E43 IonicContact NE2-OE1 3.77Å; H39-E43 PolarHBondContact O-N 2.82Å
40	E	88.4	Confident	86.9	Confident	110 Å²	110	88.5 Å²	88.5	51%	0.514	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-47.1	177.6	-68.7	172.8	171.7	0	0	112	L36 T37 R42 E43 M44	L36-E40 PolarHBondContact O-N 2.78Å; T37-E40 PolarHBondContact O-N 2.96Å; E40-R42 VanDerWaalsContact C-N 3.27Å; E40-R42 PolarHBondContact O-N 2.86Å; E40-E43 PolarHBondContact O-N 3.25Å; E40-M44 WeakPolarHBondContact O-CB 3.45Å; E40-M44 WeakPolarHBondContact O-CG 3.37Å; E40-M44 PolarHBondContact O-N 2.91Å
41	E	85.9	Confident	87.7	Confident	71 Å²	71	92.2 Å²	92.2	33%	0.332	43%	0.434	S	S	.	.	H	α-helix	trans	-57.7	-40.2	176.5	-78	178	-177.5	0	0	112.3	T37 H39 M44 R45	T37-E41 HydrophobicContact CG2-CG 4.32Å; T37-E41 WeakPolarHBondContact O-CB 3.38Å; T37-E41 VanDerWaalsContact O-CG 3.29Å; T37-E41 WeakPolarHBondContact O-CG 3.35Å; T37-E41 PolarHBondContact O-N 3.15Å; H39-E41 PolarHBondContact O-N 2.84Å; E41-M44 PolarHBondContact O-N 3.45Å; E41-R45 WeakPolarHBondContact O-CG 3.14Å; E41-R45 PolarHBondContact O-N 3.39Å; E41-R45 IonicContact OE2-NH1 3.39Å
42	R	87.3	Confident	88	Confident	114 Å²	114	88.1 Å²	88.1	43%	0.43	42%	0.421	S	S	.	.	H	α-helix	trans	-67.4	-44	179	179.6	176.2	178	-157.7	-2.1	111.3	Q38 H39 E40 M44 R45 Q46 E74	Q38-R42 WeakPolarHBondContact O-CB 3.45Å; Q38-R42 PolarHBondContact O-N 3.36Å; H39-R42 WeakPolarHBondContact O-CB 3.37Å; H39-R42 PolarHBondContact O-N 3.37Å; H39-R42 VanDerWaalsContact O-N 3.15Å; E40-R42 VanDerWaalsContact C-N 3.27Å; E40-R42 PolarHBondContact O-N 2.86Å; R42-M44 VanDerWaalsContact C-N 3.33Å; R42-R45 PolarHBondContact O-N 2.73Å; R42-Q46 PolarHBondContact O-N 3.22Å; R42-E74 IonicContact NE-OE2 3.08Å
43	E	91	Very high	88.2	Confident	85 Å²	85	81.4 Å²	81.4	40%	0.397	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-41.6	174.6	-67.9	-155.8	129.8	0	0	111.5	H39 E40 Q46 K47	H39-E43 IonicContact NE2-OE1 3.77Å; H39-E43 PolarHBondContact O-N 2.82Å; E40-E43 PolarHBondContact O-N 3.25Å; E43-Q46 PolarHBondContact O-N 2.69Å; E43-K47 WeakPolarHBondContact O-CG 3.44Å; E43-K47 PolarHBondContact O-N 3.42Å
44	M	89.4	Confident	88.6	Confident	110 Å²	110	84.5 Å²	84.5	54%	0.542	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-42.9	176.5	-75.9	-151.6	-70.5	0	0	112.3	E40 E41 R42 Q46 K47 K48	E40-M44 WeakPolarHBondContact O-CB 3.45Å; E40-M44 WeakPolarHBondContact O-CG 3.37Å; E40-M44 PolarHBondContact O-N 2.91Å; E41-M44 PolarHBondContact O-N 3.45Å; R42-M44 VanDerWaalsContact C-N 3.33Å; M44-Q46 VanDerWaalsContact C-N 3.33Å; M44-Q46 PolarHBondContact O-N 2.84Å; M44-K47 PolarHBondContact O-N 2.81Å; M44-K48 WeakPolarHBondContact O-CG 3.27Å; M44-K48 PolarHBondContact O-N 2.83Å
45	R	90.9	Very high	89.2	Confident	49 Å²	49	88.8 Å²	88.8	19%	0.185	42%	0.419	C	S	.	.	H	α-helix	trans	-61.3	-42.1	175.4	-76.6	-170.8	-62	-87.3	-2.9	111.8	E41 R42 K48 L49 E74	E41-R45 WeakPolarHBondContact O-CG 3.14Å; E41-R45 PolarHBondContact O-N 3.39Å; E41-R45 IonicContact OE2-NH1 3.39Å; R42-R45 PolarHBondContact O-N 2.73Å; R45-K48 PolarHBondContact O-N 3.09Å; R45-L49 PolarHBondContact O-N 3.23Å; R45-E74 IonicContact CZ-OE1 2.82Å; R45-E74 IonicContact NE-OE1 3.84Å; R45-E74 PolarHBondContact NE-OE1 3.22Å; R45-E74 IonicContact NH2-OE1 2.69Å; R45-E74 PolarHBondContact NH2-OE1 2.84Å; R45-E74 VanDerWaalsContact NH2-OE1 3.07Å; R45-E74 IonicContact NH2-OE2 2.82Å; R45-E74 PolarHBondContact NH2-OE2 3.23Å
46	Q	90.4	Very high	89.5	Confident	103 Å²	103	89.5 Å²	89.5	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-47.3	174.9	-175.6	175.1	-1.1	0	0	111.6	R42 E43 M44 K48 L49 E50	R42-Q46 PolarHBondContact O-N 3.22Å; E43-Q46 PolarHBondContact O-N 2.69Å; M44-Q46 VanDerWaalsContact C-N 3.33Å; M44-Q46 PolarHBondContact O-N 2.84Å; Q46-K48 VanDerWaalsContact C-N 3.34Å; Q46-K48 PolarHBondContact O-N 3.43Å; Q46-L49 WeakPolarHBondContact O-CB 3.25Å; Q46-L49 PolarHBondContact O-N 3.29Å; Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 3.41Å
47	K	92.7	Very high	89.7	Confident	137 Å²	137	87.1 Å²	87.1	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-59.4	-42.5	176.9	-73.4	171.9	-177.6	169.8	0	112.2	E43 M44 L49 E50 K51	E43-K47 WeakPolarHBondContact O-CG 3.44Å; E43-K47 PolarHBondContact O-N 3.42Å; M44-K47 PolarHBondContact O-N 2.81Å; K47-L49 VanDerWaalsContact C-N 3.35Å; K47-E50 PolarHBondContact O-N 3.04Å; K47-K51 WeakPolarHBondContact O-CB 3.07Å; K47-K51 PolarHBondContact O-N 3.27Å
48	K	90.5	Very high	89.9	Confident	154 Å²	154	85.1 Å²	85.1	67%	0.67	41%	0.408	S	S	*	.	H	α-helix	trans	-61.3	-42.2	175.7	-76.8	-177.3	178.6	-174.9	0	111.9	M44 R45 Q46 A52	M44-K48 WeakPolarHBondContact O-CG 3.27Å; M44-K48 PolarHBondContact O-N 2.83Å; R45-K48 PolarHBondContact O-N 3.09Å; Q46-K48 VanDerWaalsContact C-N 3.34Å; Q46-K48 PolarHBondContact O-N 3.43Å; K48-A52 WeakPolarHBondContact O-CB 3.32Å; K48-A52 PolarHBondContact O-N 3.09Å
49	L	90.2	Very high	90.3	Very high	33 Å²	33	86.1 Å²	86.1	17%	0.173	42%	0.42	C	S	.	.	H	α-helix	trans	-61.7	-48.7	176.1	176.8	68.9	0	0	0	111.5	R45 Q46 K47 K51 A52 M53 H70	R45-L49 PolarHBondContact O-N 3.23Å; Q46-L49 WeakPolarHBondContact O-CB 3.25Å; Q46-L49 PolarHBondContact O-N 3.29Å; K47-L49 VanDerWaalsContact C-N 3.35Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.4Å; L49-A52 PolarHBondContact O-N 3.2Å; L49-M53 HydrophobicContact CD1-CG 4.24Å; L49-M53 HydrophobicContact CD1-SD 4.26Å; L49-M53 HydrophobicContact CD2-CE 4.44Å; L49-M53 HydrophobicContact CG-CE 3.99Å; L49-M53 HydrophobicContact CG-CG 4.46Å; L49-M53 HydrophobicContact CG-SD 4.18Å; L49-M53 VanDerWaalsContact O-CG 3.3Å; L49-M53 WeakPolarHBondContact O-CG 3.35Å; L49-M53 PolarHBondContact O-N 3.26Å; L49-H70 HydrophobicContact CD2-CB 3.41Å; L49-H70 VanDerWaalsContact CD2-CB 3.41Å
50	E	92.5	Very high	90.5	Very high	41 Å²	41	86.8 Å²	86.8	19%	0.192	43%	0.427	C	S	.	.	H	α-helix	trans	-59.1	-47.1	179.3	-64.6	-58.9	152.6	0	0	111.2	Q46 K47 A52 M53 E54 R67	Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 3.41Å; K47-E50 PolarHBondContact O-N 3.04Å; E50-A52 PolarHBondContact O-N 3.15Å; E50-M53 VanDerWaalsContact CD-CE 3.44Å; E50-M53 HydrophobicContact CG-CE 4.44Å; E50-M53 PolarHBondContact O-N 3.42Å; E50-M53 WeakPolarHBondContact OE2-CE 3.12Å; E50-E54 WeakPolarHBondContact O-CG 3.34Å; E50-E54 PolarHBondContact O-N 3.34Å; E50-R67 IonicContact OE1-CZ 2.63Å; E50-R67 IonicContact OE1-NE 3.66Å; E50-R67 PolarHBondContact OE1-NE 2.89Å; E50-R67 IonicContact OE1-NH2 3.98Å; E50-R67 IonicContact OE2-CZ 3.31Å; E50-R67 IonicContact OE2-NE 2.7Å; E50-R67 PolarHBondContact OE2-NE 3.42Å; E50-R67 VanDerWaalsContact OE2-NE 3.15Å; E50-R67 IonicContact OE2-NH2 3.66Å; E50-R67 PolarHBondContact OE2-NH2 3.32Å
51	K	92.6	Very high	90.6	Very high	123 Å²	123	89.7 Å²	89.7	54%	0.535	44%	0.441	S	S	.	.	H	α-helix	trans	-58.8	-46.6	176.7	-173.6	180	171.9	-172.2	0	112.6	K47 L49 M53 E54 E55	K47-K51 WeakPolarHBondContact O-CB 3.07Å; K47-K51 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.4Å; K51-M53 VanDerWaalsContact C-N 3.35Å; K51-M53 PolarHBondContact O-N 3.22Å; K51-E54 WeakPolarHBondContact O-CB 3.38Å; K51-E54 PolarHBondContact O-N 3.22Å; K51-E55 WeakPolarHBondContact CE-OE1 3.49Å; K51-E55 IonicContact NZ-OE1 3.34Å; K51-E55 WeakPolarHBondContact O-CG 3.29Å; K51-E55 PolarHBondContact O-N 3.05Å
52	A	90.1	Very high	90.8	Very high	33 Å²	33	90 Å²	90	27%	0.273	44%	0.443	S	S	.	.	H	α-helix	trans	-62.9	-40.4	178.5	0	0	0	0	0	112.2	K48 L49 E50 E54 E55 E56	K48-A52 WeakPolarHBondContact O-CB 3.32Å; K48-A52 PolarHBondContact O-N 3.09Å; L49-A52 PolarHBondContact O-N 3.2Å; E50-A52 PolarHBondContact O-N 3.15Å; A52-E54 VanDerWaalsContact C-N 3.31Å; A52-E54 PolarHBondContact O-N 2.7Å; A52-E55 PolarHBondContact O-N 3.28Å; A52-E56 WeakPolarHBondContact O-CB 3.46Å; A52-E56 WeakPolarHBondContact O-CG 3.36Å; A52-E56 PolarHBondContact O-N 3.26Å
53	M	92.4	Very high	91	Very high	1 Å²	1	86.5 Å²	86.5	1%	0.005	43%	0.43	C	S	.	.	H	α-helix	trans	-67.4	-30.6	176.4	-68.9	-173.5	-54.6	0	0	113.1	L49 E50 K51 G57 L58 K63 R66 R67	L49-M53 HydrophobicContact CD1-CG 4.24Å; L49-M53 HydrophobicContact CD1-SD 4.26Å; L49-M53 HydrophobicContact CD2-CE 4.44Å; L49-M53 HydrophobicContact CG-CE 3.99Å; L49-M53 HydrophobicContact CG-CG 4.46Å; L49-M53 HydrophobicContact CG-SD 4.18Å; L49-M53 VanDerWaalsContact O-CG 3.3Å; L49-M53 WeakPolarHBondContact O-CG 3.35Å; L49-M53 PolarHBondContact O-N 3.26Å; E50-M53 VanDerWaalsContact CD-CE 3.44Å; E50-M53 HydrophobicContact CG-CE 4.44Å; E50-M53 PolarHBondContact O-N 3.42Å; E50-M53 WeakPolarHBondContact OE2-CE 3.12Å; K51-M53 VanDerWaalsContact C-N 3.35Å; K51-M53 PolarHBondContact O-N 3.22Å; M53-G57 PolarHBondContact O-N 2.55Å; M53-L58 HydrophobicContact CB-CD1 4.2Å; M53-L58 HydrophobicContact CG-CD1 4Å; M53-L58 PolarHBondContact O-N 2.92Å; M53-K63 HydrophobicContact CB-CG 4.26Å; M53-K63 HydrophobicContact SD-CB 4.16Å; M53-K63 HydrophobicContact SD-CG 4.19Å; M53-R66 HydrophobicContact CG-CB 4.49Å; M53-R66 HydrophobicContact SD-CB 3.58Å; M53-R66 VanDerWaalsContact SD-CB 3.58Å; M53-R66 HydrophobicContact SD-CG 4.34Å; M53-R67 HydrophobicContact CE-CG 3.88Å; M53-R67 HydrophobicContact SD-CG 4.45Å
54	E	90.7	Very high	91	Very high	133 Å²	133	86.7 Å²	86.7	62%	0.621	44%	0.437	S	S	*	.	H	α-helix	trans	-70.7	-47	173	-74.1	173.4	-173.9	0	0	111.5	E50 K51 A52 E56 G57	E50-E54 WeakPolarHBondContact O-CG 3.34Å; E50-E54 PolarHBondContact O-N 3.34Å; K51-E54 WeakPolarHBondContact O-CB 3.38Å; K51-E54 PolarHBondContact O-N 3.22Å; A52-E54 VanDerWaalsContact C-N 3.31Å; A52-E54 PolarHBondContact O-N 2.7Å; E54-E56 PolarHBondContact O-N 3.41Å; E54-G57 PolarHBondContact O-N 2.9Å; E54-G57 VanDerWaalsContact O-N 3.07Å
55	E	92.6	Very high	91.1	Very high	141 Å²	141	86.9 Å²	86.9	66%	0.659	44%	0.438	S	S	*	.	H	α-helix	trans	-63.4	-38	178.5	-72.7	174.8	165.8	0	0	112.6	K51 A52 G57	K51-E55 WeakPolarHBondContact CE-OE1 3.49Å; K51-E55 IonicContact NZ-OE1 3.34Å; K51-E55 WeakPolarHBondContact O-CG 3.29Å; K51-E55 PolarHBondContact O-N 3.05Å; A52-E55 PolarHBondContact O-N 3.28Å; E55-G57 PolarHBondContact O-N 3.44Å
56	E	91.5	Very high	90.9	Very high	103 Å²	103	87.8 Å²	87.8	48%	0.481	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.6	174.8	-72.9	176.6	-139.5	0	0	113.3	A52 E54 L58 R66	A52-E56 WeakPolarHBondContact O-CB 3.46Å; A52-E56 WeakPolarHBondContact O-CG 3.36Å; A52-E56 PolarHBondContact O-N 3.26Å; E54-E56 PolarHBondContact O-N 3.41Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 HydrophobicContact CB-CD1 4.34Å; E56-L58 HydrophobicContact CB-CD2 3.83Å; E56-L58 HydrophobicContact CB-CG 3.75Å; E56-L58 PolarHBondContact O-N 3.45Å; E56-R66 VanDerWaalsContact CD-NH1 3.34Å; E56-R66 IonicContact OE1-NH1 2.68Å; E56-R66 PolarHBondContact OE1-NH1 3.43Å; E56-R66 VanDerWaalsContact OE1-NH1 3.08Å; E56-R66 IonicContact OE2-CZ 3.04Å; E56-R66 IonicContact OE2-NH1 3.98Å; E56-R66 PolarHBondContact OE2-NH1 2.58Å; E56-R66 IonicContact OE2-NH2 3.18Å; E56-R66 PolarHBondContact OE2-NH2 2.78Å
57	G	90.1	Very high	91	Very high	59 Å²	59	87.8 Å²	87.8	61%	0.608	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	31.5	178.5	0	0	0	0	0	114.2	M53 E54 E55	M53-G57 PolarHBondContact O-N 2.55Å; E54-G57 PolarHBondContact O-N 2.9Å; E54-G57 VanDerWaalsContact O-N 3.07Å; E55-G57 PolarHBondContact O-N 3.44Å
58	L	88.8	Confident	90.9	Very high	20 Å²	20	85 Å²	85	11%	0.105	43%	0.434	C	S	.	.			trans	-66.6	147	-170.4	-58.9	177.6	0	0	0	113	M53 E56 E62 K63	M53-L58 HydrophobicContact CB-CD1 4.2Å; M53-L58 HydrophobicContact CG-CD1 4Å; M53-L58 PolarHBondContact O-N 2.92Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 HydrophobicContact CB-CD1 4.34Å; E56-L58 HydrophobicContact CB-CD2 3.83Å; E56-L58 HydrophobicContact CB-CG 3.75Å; E56-L58 PolarHBondContact O-N 3.45Å; L58-E62 HydrophobicContact CB-CB 4.44Å; L58-E62 HydrophobicContact CD1-CG 4.34Å; L58-K63 HydrophobicContact CB-CG 4.07Å; L58-K63 WeakPolarHBondContact O-CE 3.21Å; L58-K63 PolarHBondContact O-NZ 2.9Å; L58-K63 VanDerWaalsContact O-NZ 3.16Å
59	P	92	Very high	90.8	Very high	81 Å²	81	82 Å²	82	53%	0.526	42%	0.423	S	S	.	.			trans	-60.8	153.8	170.7	-19.6	31.2	0	0	0	112.4	E61 E62 K63	P59-E61 VanDerWaalsContact C-N 3.28Å; P59-E61 PolarHBondContact O-N 3.49Å; P59-E62 PolarHBondContact O-N 3.11Å; P59-K63 PolarHBondContact O-N 3.07Å
60	D	90.6	Very high	90.6	Very high	122 Å²	122	82 Å²	82	65%	0.652	42%	0.422	S	S	*	.	H	α-helix	trans	-59.4	-36.3	-177	-72.8	-20.4	0	0	0	113.3	E62 K63 V64	D60-E62 PolarHBondContact O-N 2.91Å; D60-K63 PolarHBondContact O-N 3.07Å; D60-V64 WeakPolarHBondContact O-CG2 3.12Å; D60-V64 PolarHBondContact O-N 3.24Å
61	E	91.4	Very high	90.4	Very high	171 Å²	171	82.5 Å²	82.5	80%	0.799	43%	0.433	S	S	*	.	H	α-helix	trans	-61.6	-43.2	175.4	-66.2	-176.1	176.9	0	0	111.9	P59 V64 M65	P59-E61 VanDerWaalsContact C-N 3.28Å; P59-E61 PolarHBondContact O-N 3.49Å; E61-V64 PolarHBondContact O-N 3.1Å; E61-M65 WeakPolarHBondContact O-CG 3.3Å; E61-M65 PolarHBondContact O-N 2.83Å; E61-M65 VanDerWaalsContact O-N 3.09Å
62	E	89.9	Confident	90.1	Very high	78 Å²	78	85 Å²	85	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-37.9	178.2	-168.6	176.9	163.3	0	0	111.4	L58 P59 D60 V64 M65 R66	L58-E62 HydrophobicContact CB-CB 4.44Å; L58-E62 HydrophobicContact CD1-CG 4.34Å; P59-E62 PolarHBondContact O-N 3.11Å; D60-E62 PolarHBondContact O-N 2.91Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.33Å; E62-M65 WeakPolarHBondContact O-CB 3.5Å; E62-M65 PolarHBondContact O-N 3.44Å; E62-R66 HydrophobicContact CG-CG 4.4Å; E62-R66 WeakPolarHBondContact O-CG 3.1Å; E62-R66 PolarHBondContact O-N 2.91Å; E62-R66 IonicContact OE1-CZ 3.39Å; E62-R66 IonicContact OE1-NE 2.81Å; E62-R66 PolarHBondContact OE1-NE 2.81Å; E62-R66 IonicContact OE1-NH2 3.07Å; E62-R66 PolarHBondContact OE1-NH2 3.3Å
63	K	90.3	Very high	89.8	Confident	39 Å²	39	87.7 Å²	87.7	17%	0.17	45%	0.445	C	S	.	.	H	α-helix	trans	-58.5	-45.3	173.5	-70.4	176.7	175.2	156.8	0	111.6	M53 L58 P59 D60 M65 R66 R67	M53-K63 HydrophobicContact CB-CG 4.26Å; M53-K63 HydrophobicContact SD-CB 4.16Å; M53-K63 HydrophobicContact SD-CG 4.19Å; L58-K63 HydrophobicContact CB-CG 4.07Å; L58-K63 WeakPolarHBondContact O-CE 3.21Å; L58-K63 PolarHBondContact O-NZ 2.9Å; L58-K63 VanDerWaalsContact O-NZ 3.16Å; P59-K63 PolarHBondContact O-N 3.07Å; D60-K63 PolarHBondContact O-N 3.07Å; K63-M65 VanDerWaalsContact C-N 3.33Å; K63-M65 PolarHBondContact O-N 3.09Å; K63-R66 PolarHBondContact O-N 3.34Å; K63-R67 WeakPolarHBondContact O-CB 3.28Å; K63-R67 VanDerWaalsContact O-CG 3.3Å; K63-R67 WeakPolarHBondContact O-CG 3.34Å; K63-R67 PolarHBondContact O-N 3.5Å
64	V	92.2	Very high	89.6	Confident	89 Å²	89	88 Å²	88	54%	0.539	45%	0.446	S	S	.	.	H	α-helix	trans	-60.4	-44.3	175.9	171.5	0	0	0	0	110.9	D60 E61 E62 R67 S68	D60-V64 WeakPolarHBondContact O-CG2 3.12Å; D60-V64 PolarHBondContact O-N 3.24Å; E61-V64 PolarHBondContact O-N 3.1Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.33Å; V64-R67 PolarHBondContact O-N 3.36Å; V64-S68 WeakPolarHBondContact O-CB 3.3Å; V64-S68 PolarHBondContact O-N 2.95Å
65	M	90.2	Very high	89.4	Confident	114 Å²	114	85.7 Å²	85.7	56%	0.562	44%	0.441	S	S	*	.	H	α-helix	trans	-61.7	-46.4	177.2	-73.6	-63.1	-67.8	0	0	112.4	E61 E62 K63 S68 Q69	E61-M65 WeakPolarHBondContact O-CG 3.3Å; E61-M65 PolarHBondContact O-N 2.83Å; E61-M65 VanDerWaalsContact O-N 3.09Å; E62-M65 WeakPolarHBondContact O-CB 3.5Å; E62-M65 PolarHBondContact O-N 3.44Å; K63-M65 VanDerWaalsContact C-N 3.33Å; K63-M65 PolarHBondContact O-N 3.09Å; M65-S68 PolarHBondContact O-N 3.33Å; M65-Q69 WeakPolarHBondContact O-CG 3.02Å; M65-Q69 PolarHBondContact O-N 3.29Å
66	R	87.8	Confident	88.9	Confident	69 Å²	69	81.5 Å²	81.5	26%	0.26	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-42.4	178	-68.5	-130.5	-169.6	150.7	9.5	112.2	M53 E56 E62 K63 S68 Q69 H70	M53-R66 HydrophobicContact CG-CB 4.49Å; M53-R66 HydrophobicContact SD-CB 3.58Å; M53-R66 VanDerWaalsContact SD-CB 3.58Å; M53-R66 HydrophobicContact SD-CG 4.34Å; E56-R66 VanDerWaalsContact CD-NH1 3.34Å; E56-R66 IonicContact OE1-NH1 2.68Å; E56-R66 PolarHBondContact OE1-NH1 3.43Å; E56-R66 VanDerWaalsContact OE1-NH1 3.08Å; E56-R66 IonicContact OE2-CZ 3.04Å; E56-R66 IonicContact OE2-NH1 3.98Å; E56-R66 PolarHBondContact OE2-NH1 2.58Å; E56-R66 IonicContact OE2-NH2 3.18Å; E56-R66 PolarHBondContact OE2-NH2 2.78Å; E62-R66 HydrophobicContact CG-CG 4.4Å; E62-R66 WeakPolarHBondContact O-CG 3.1Å; E62-R66 PolarHBondContact O-N 2.91Å; E62-R66 IonicContact OE1-CZ 3.39Å; E62-R66 IonicContact OE1-NE 2.81Å; E62-R66 PolarHBondContact OE1-NE 2.81Å; E62-R66 IonicContact OE1-NH2 3.07Å; E62-R66 PolarHBondContact OE1-NH2 3.3Å; K63-R66 PolarHBondContact O-N 3.34Å; R66-S68 PolarHBondContact O-N 3.17Å; R66-Q69 PolarHBondContact O-N 2.82Å; R66-H70 WeakPolarHBondContact O-CB 3.22Å; R66-H70 PolarHBondContact O-N 2.88Å
67	R	91.8	Very high	88.5	Confident	103 Å²	103	76.8 Å²	76.8	39%	0.389	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-44.3	174.1	-72.1	175	-174.8	135.2	0.9	112	E50 M53 K63 V64 H70 A71	E50-R67 IonicContact OE1-CZ 2.63Å; E50-R67 IonicContact OE1-NE 3.66Å; E50-R67 PolarHBondContact OE1-NE 2.89Å; E50-R67 IonicContact OE1-NH2 3.98Å; E50-R67 IonicContact OE2-CZ 3.31Å; E50-R67 IonicContact OE2-NE 2.7Å; E50-R67 PolarHBondContact OE2-NE 3.42Å; E50-R67 VanDerWaalsContact OE2-NE 3.15Å; E50-R67 IonicContact OE2-NH2 3.66Å; E50-R67 PolarHBondContact OE2-NH2 3.32Å; M53-R67 HydrophobicContact CE-CG 3.88Å; M53-R67 HydrophobicContact SD-CG 4.45Å; K63-R67 WeakPolarHBondContact O-CB 3.28Å; K63-R67 VanDerWaalsContact O-CG 3.3Å; K63-R67 WeakPolarHBondContact O-CG 3.34Å; K63-R67 PolarHBondContact O-N 3.5Å; V64-R67 PolarHBondContact O-N 3.36Å; R67-H70 PolarHBondContact O-N 2.62Å; R67-A71 WeakPolarHBondContact O-CB 3.26Å; R67-A71 PolarHBondContact O-N 2.77Å
68	S	90.8	Very high	88.1	Confident	77 Å²	77	77.1 Å²	77.1	54%	0.538	39%	0.387	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176.9	-179.7	0	0	0	0	111.9	V64 M65 R66 H70 A71 R72	V64-S68 WeakPolarHBondContact O-CB 3.3Å; V64-S68 PolarHBondContact O-N 2.95Å; M65-S68 PolarHBondContact O-N 3.33Å; R66-S68 PolarHBondContact O-N 3.17Å; S68-H70 VanDerWaalsContact C-N 3.34Å; S68-H70 PolarHBondContact O-N 2.88Å; S68-A71 PolarHBondContact O-N 3.4Å; S68-R72 PolarHBondContact O-N 2.86Å
69	Q	87.7	Confident	87.8	Confident	93 Å²	93	82 Å²	82	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-41.4	174.9	-71	179.2	9.5	0	0	112.3	M65 R66 R72 K73	M65-Q69 WeakPolarHBondContact O-CG 3.02Å; M65-Q69 PolarHBondContact O-N 3.29Å; R66-Q69 PolarHBondContact O-N 2.82Å; Q69-R72 PolarHBondContact O-N 3.32Å; Q69-K73 WeakPolarHBondContact O-CG 3.31Å; Q69-K73 PolarHBondContact O-N 3.11Å
70	H	87.4	Confident	87.2	Confident	32 Å²	32	79.3 Å²	79.3	15%	0.148	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176.4	-177.1	-88.8	0	0	0	111.9	L49 R66 R67 S68 R72 K73 E74	L49-H70 HydrophobicContact CD2-CB 3.41Å; L49-H70 VanDerWaalsContact CD2-CB 3.41Å; R66-H70 WeakPolarHBondContact O-CB 3.22Å; R66-H70 PolarHBondContact O-N 2.88Å; R67-H70 PolarHBondContact O-N 2.62Å; S68-H70 VanDerWaalsContact C-N 3.34Å; S68-H70 PolarHBondContact O-N 2.88Å; H70-R72 VanDerWaalsContact C-N 3.29Å; H70-R72 PolarHBondContact O-N 3.08Å; H70-K73 WeakPolarHBondContact O-CB 3.5Å; H70-K73 PolarHBondContact O-N 3.33Å; H70-K73 VanDerWaalsContact O-N 3.11Å; H70-E74 IonicContact CE1-OE1 3.15Å; H70-E74 PolarHBondContact O-N 3.12Å
71	A	88.1	Confident	86.6	Confident	51 Å²	51	76.2 Å²	76.2	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-58.2	-42.8	175.6	0	0	0	0	0	111.5	R67 S68 K73 E74 T75	R67-A71 WeakPolarHBondContact O-CB 3.26Å; R67-A71 PolarHBondContact O-N 2.77Å; S68-A71 PolarHBondContact O-N 3.4Å; A71-K73 PolarHBondContact O-N 3.36Å; A71-E74 PolarHBondContact O-N 3.14Å; A71-T75 PolarHBondContact O-N 2.87Å; A71-T75 PolarHBondContact O-OG1 3Å
72	R	86.4	Confident	86.1	Confident	177 Å²	177	77.4 Å²	77.4	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-60.8	-44.2	174.3	-170.8	176.8	71	177.1	1.8	112	S68 Q69 H70 E74 T75 E76	S68-R72 PolarHBondContact O-N 2.86Å; Q69-R72 PolarHBondContact O-N 3.32Å; H70-R72 VanDerWaalsContact C-N 3.29Å; H70-R72 PolarHBondContact O-N 3.08Å; R72-E74 VanDerWaalsContact C-N 3.35Å; R72-E74 PolarHBondContact O-N 2.74Å; R72-T75 PolarHBondContact O-N 3.21Å; R72-E76 WeakPolarHBondContact O-CG 3.15Å; R72-E76 PolarHBondContact O-N 3.13Å
73	K	84	Confident	85.6	Confident	89 Å²	89	77 Å²	77	39%	0.387	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-43.1	175.9	-73.3	178.1	-177.9	-178.3	0	111.7	Q69 H70 A71 E76 F77 F445 T449	Q69-K73 WeakPolarHBondContact O-CG 3.31Å; Q69-K73 PolarHBondContact O-N 3.11Å; H70-K73 WeakPolarHBondContact O-CB 3.5Å; H70-K73 PolarHBondContact O-N 3.33Å; H70-K73 VanDerWaalsContact O-N 3.11Å; A71-K73 PolarHBondContact O-N 3.36Å; K73-E76 PolarHBondContact O-N 3.18Å; K73-F77 WeakPolarHBondContact O-CB 3.41Å; K73-F77 PolarHBondContact O-N 2.73Å; K73-F445 HydrophobicContact CB-CZ 4.05Å; K73-T449 HydrophobicContact CD-CG2 4.14Å
74	E	87.1	Confident	85.2	Confident	6 Å²	6	86.1 Å²	86.1	3%	0.028	40%	0.399	C	S	.	.	H	α-helix	trans	-62	-44.7	176	-75.6	-69	168.3	0	0	112.3	R42 R45 H70 A71 R72 E76 F77 L78 F445	R42-E74 IonicContact NE-OE2 3.08Å; R45-E74 IonicContact CZ-OE1 2.82Å; R45-E74 IonicContact NE-OE1 3.84Å; R45-E74 PolarHBondContact NE-OE1 3.22Å; R45-E74 IonicContact NH2-OE1 2.69Å; R45-E74 PolarHBondContact NH2-OE1 2.84Å; R45-E74 VanDerWaalsContact NH2-OE1 3.07Å; R45-E74 IonicContact NH2-OE2 2.82Å; R45-E74 PolarHBondContact NH2-OE2 3.23Å; H70-E74 IonicContact CE1-OE1 3.15Å; H70-E74 PolarHBondContact O-N 3.12Å; A71-E74 PolarHBondContact O-N 3.14Å; R72-E74 VanDerWaalsContact C-N 3.35Å; R72-E74 PolarHBondContact O-N 2.74Å; E74-E76 PolarHBondContact O-N 3.35Å; E74-F77 PolarHBondContact O-N 3.17Å; E74-L78 WeakPolarHBondContact O-CG 3.27Å; E74-L78 PolarHBondContact O-N 3.23Å; E74-F445 HydrophobicContact CG-CE2 4.23Å; E74-F445 HydrophobicContact CG-CZ 4.14Å; E74-F445 WeakPolarHBondContact OE1-CE2 3.41Å; E74-F445 WeakPolarHBondContact OE1-CZ 3.49Å
75	T	86.3	Confident	84.8	Confident	86 Å²	86	82.7 Å²	82.7	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-45.5	176.1	-58.5	0	0	0	0	112	A71 R72 F77 L78 R79	A71-T75 PolarHBondContact O-N 2.87Å; A71-T75 PolarHBondContact O-OG1 3Å; R72-T75 PolarHBondContact O-N 3.21Å; T75-F77 VanDerWaalsContact C-N 3.3Å; T75-F77 PolarHBondContact O-N 3.27Å; T75-L78 PolarHBondContact O-N 3.37Å; T75-R79 PolarHBondContact O-N 2.95Å; T75-R79 VanDerWaalsContact O-N 3.08Å
76	E	83.3	Confident	84.7	Confident	52 Å²	52	78.3 Å²	78.3	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-36	177.6	-69.5	-65.3	105.1	0	0	111.8	R72 K73 E74 R79 L80 L448	R72-E76 WeakPolarHBondContact O-CG 3.15Å; R72-E76 PolarHBondContact O-N 3.13Å; K73-E76 PolarHBondContact O-N 3.18Å; E74-E76 PolarHBondContact O-N 3.35Å; E76-R79 WeakPolarHBondContact O-CB 2.96Å; E76-R79 PolarHBondContact O-N 3.02Å; E76-R79 IonicContact OE1-CZ 2.75Å; E76-R79 VanDerWaalsContact OE1-CZ 3.28Å; E76-R79 IonicContact OE1-NH1 3.98Å; E76-R79 PolarHBondContact OE1-NH1 3.34Å; E76-R79 IonicContact OE1-NH2 3.54Å; E76-R79 IonicContact OE2-CZ 3.38Å; E76-R79 IonicContact OE2-NE 2.76Å; E76-R79 IonicContact OE2-NH1 2.83Å; E76-R79 PolarHBondContact OE2-NH1 2.55Å; E76-R79 IonicContact OE2-NH2 2.69Å; E76-R79 PolarHBondContact OE2-NH2 3.07Å; E76-L80 WeakPolarHBondContact O-CB 3.44Å; E76-L80 PolarHBondContact O-N 2.72Å; E76-L448 HydrophobicContact CB-CD2 4.2Å
77	F	81.9	Confident	84.9	Confident	5 Å²	5	77.2 Å²	77.2	2%	0.022	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-44	175	-173.1	-126.7	0	0	0	113.3	K73 E74 T75 R79 L80 K81 K443 F445 L448	K73-F77 WeakPolarHBondContact O-CB 3.41Å; K73-F77 PolarHBondContact O-N 2.73Å; E74-F77 PolarHBondContact O-N 3.17Å; T75-F77 VanDerWaalsContact C-N 3.3Å; T75-F77 PolarHBondContact O-N 3.27Å; F77-R79 PolarHBondContact O-N 3.15Å; F77-L80 HydrophobicContact CD2-CD2 4.47Å; F77-L80 WeakPolarHBondContact O-CB 3.31Å; F77-L80 PolarHBondContact O-N 2.65Å; F77-L80 VanDerWaalsContact O-N 3.16Å; F77-K81 HydrophobicContact CD1-CD 4.18Å; F77-K81 HydrophobicContact CE1-CD 3.86Å; F77-K81 HydrophobicContact CE1-CG 4.43Å; F77-K81 VanDerWaalsContact CE1-NZ 3.27Å; F77-K81 HydrophobicContact CE2-CG 4.39Å; F77-K81 HydrophobicContact CZ-CD 4.12Å; F77-K81 HydrophobicContact CZ-CG 4.33Å; F77-K81 PolarHBondContact O-N 2.82Å; F77-K443 WeakPolarHBondContact CE2-O 3.4Å; F77-F445 HydrophobicContact CB-CD2 3.73Å; F77-F445 HydrophobicContact CB-CE2 3.7Å; F77-F445 AromaticContact CD1-CD2 3.41Å; F77-F445 HydrophobicContact CD1-CD2 3.41Å; F77-F445 VanDerWaalsContact CD1-CD2 3.41Å; F77-F445 AromaticContact CD1-CE2 3.94Å; F77-F445 HydrophobicContact CD1-CE2 3.94Å; F77-F445 HydrophobicContact CD2-CB 4.42Å; F77-F445 AromaticContact CD2-CD2 3.84Å; F77-F445 HydrophobicContact CD2-CD2 3.84Å; F77-F445 HydrophobicContact CE1-CB 4.35Å; F77-F445 AromaticContact CE1-CD2 3.74Å; F77-F445 HydrophobicContact CE1-CD2 3.74Å; F77-F445 VanDerWaalsContact CE2-CA 3.44Å; F77-F445 HydrophobicContact CE2-CB 4.08Å; F77-F445 HydrophobicContact CE2-CD2 4.2Å; F77-F445 AromaticContact CG-CD2 3.4Å; F77-F445 HydrophobicContact CG-CD2 3.4Å; F77-F445 AromaticContact CG-CE2 3.89Å; F77-F445 HydrophobicContact CG-CE2 3.89Å; F77-F445 HydrophobicContact CG-CG 4.48Å; F77-F445 HydrophobicContact CZ-CB 3.99Å; F77-F445 HydrophobicContact CZ-CD2 4.12Å; F77-L448 VanDerWaalsContact CA-CD1 3.5Å; F77-L448 HydrophobicContact CB-CD1 3.46Å; F77-L448 VanDerWaalsContact CB-CD1 3.46Å; F77-L448 HydrophobicContact CD2-CD1 3.83Å; F77-L448 HydrophobicContact CG-CD1 4.09Å
78	L	82.8	Confident	84.9	Confident	66 Å²	66	78.8 Å²	78.8	35%	0.346	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-36	175.1	-68.2	172.9	0	0	0	111	E74 T75 R82	E74-L78 WeakPolarHBondContact O-CG 3.27Å; E74-L78 PolarHBondContact O-N 3.23Å; T75-L78 PolarHBondContact O-N 3.37Å; L78-R82 WeakPolarHBondContact O-CG 3.22Å; L78-R82 PolarHBondContact O-N 3.19Å
79	R	82.3	Confident	85	Confident	123 Å²	123	77.6 Å²	77.6	46%	0.464	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-45.5	172.3	-165.7	179.6	75.3	-157.7	6.6	111.8	T75 E76 F77 K81 R82 T83	T75-R79 PolarHBondContact O-N 2.95Å; T75-R79 VanDerWaalsContact O-N 3.08Å; E76-R79 WeakPolarHBondContact O-CB 2.96Å; E76-R79 PolarHBondContact O-N 3.02Å; E76-R79 IonicContact OE1-CZ 2.75Å; E76-R79 VanDerWaalsContact OE1-CZ 3.28Å; E76-R79 IonicContact OE1-NH1 3.98Å; E76-R79 PolarHBondContact OE1-NH1 3.34Å; E76-R79 IonicContact OE1-NH2 3.54Å; E76-R79 IonicContact OE2-CZ 3.38Å; E76-R79 IonicContact OE2-NE 2.76Å; E76-R79 IonicContact OE2-NH1 2.83Å; E76-R79 PolarHBondContact OE2-NH1 2.55Å; E76-R79 IonicContact OE2-NH2 2.69Å; E76-R79 PolarHBondContact OE2-NH2 3.07Å; F77-R79 PolarHBondContact O-N 3.15Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 3.46Å; R79-R82 PolarHBondContact O-N 2.5Å; R79-T83 PolarHBondContact O-N 3.48Å; R79-T83 VanDerWaalsContact O-N 3.14Å; R79-T83 PolarHBondContact O-OG1 3.41Å
80	L	79.5	Confident	85.3	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.12	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-43.3	176.5	179.3	64.5	0	0	0	111.2	E76 F77 R82 T83 L85 Y155 K443 L448	E76-L80 WeakPolarHBondContact O-CB 3.44Å; E76-L80 PolarHBondContact O-N 2.72Å; F77-L80 HydrophobicContact CD2-CD2 4.47Å; F77-L80 WeakPolarHBondContact O-CB 3.31Å; F77-L80 PolarHBondContact O-N 2.65Å; F77-L80 VanDerWaalsContact O-N 3.16Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 3.42Å; L80-T83 WeakPolarHBondContact O-CB 3.48Å; L80-T83 PolarHBondContact O-N 2.86Å; L80-T83 VanDerWaalsContact O-N 3.11Å; L80-L85 HydrophobicContact CD1-CD1 4.47Å; L80-Y155 HydrophobicContact CD2-CE1 4.34Å; L80-K443 HydrophobicContact CD1-CD 4.37Å; L80-K443 HydrophobicContact CD2-CD 4.45Å; L80-K443 HydrophobicContact CG-CD 3.89Å; L80-K443 PolarHBondContact O-NZ 3.24Å; L80-L448 HydrophobicContact CB-CD2 4.23Å; L80-L448 HydrophobicContact CD2-CD2 3.87Å; L80-L448 HydrophobicContact CD2-CG 4.17Å
81	K	77.7	Confident	85.7	Confident	58 Å²	58	77 Å²	77	25%	0.252	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-36.6	176.7	-82.7	-174.3	164.4	172.7	0	113.3	Q38 F77 R79 T83	Q38-K81 VanDerWaalsContact CG-NZ 3.29Å; F77-K81 HydrophobicContact CD1-CD 4.18Å; F77-K81 HydrophobicContact CE1-CD 3.86Å; F77-K81 HydrophobicContact CE1-CG 4.43Å; F77-K81 VanDerWaalsContact CE1-NZ 3.27Å; F77-K81 HydrophobicContact CE2-CG 4.39Å; F77-K81 HydrophobicContact CZ-CD 4.12Å; F77-K81 HydrophobicContact CZ-CG 4.33Å; F77-K81 PolarHBondContact O-N 2.82Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 3.46Å; K81-T83 VanDerWaalsContact C-N 3.34Å
82	R	79.9	Confident	86	Confident	196 Å²	196	76.6 Å²	76.6	74%	0.74	36%	0.356	S	S	*	.	H	α-helix	trans	-72.8	-25.6	175.6	-70.7	-176.8	-66.2	-145.9	0.1	113.5	L78 R79 L80	L78-R82 WeakPolarHBondContact O-CG 3.22Å; L78-R82 PolarHBondContact O-N 3.19Å; R79-R82 PolarHBondContact O-N 2.5Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 3.42Å
83	T	79.8	Confident	86.4	Confident	69 Å²	69	71.3 Å²	71.3	42%	0.423	34%	0.341	S	S	.	.	S	Bend	trans	-69.3	137.9	177.6	-51.7	0	0	0	0	108.9	R79 L80 K81 L85 K443	R79-T83 PolarHBondContact O-N 3.48Å; R79-T83 VanDerWaalsContact O-N 3.14Å; R79-T83 PolarHBondContact O-OG1 3.41Å; L80-T83 WeakPolarHBondContact O-CB 3.48Å; L80-T83 PolarHBondContact O-N 2.86Å; L80-T83 VanDerWaalsContact O-N 3.11Å; K81-T83 VanDerWaalsContact C-N 3.34Å; T83-L85 PolarHBondContact O-N 3.15Å; T83-K443 PolarHBondContact O-NZ 2.98Å
84	R	81.5	Confident	86.8	Confident	231 Å²	231	69.7 Å²	69.7	87%	0.872	33%	0.334	S	S	*	.			trans	-89.8	107.1	171.6	-171.8	175	178.4	-179.2	-1.4	107.9
85	L	84.2	Confident	87.1	Confident	16 Å²	16	69.4 Å²	69.4	8%	0.084	33%	0.333	C	S	.	.			trans	-75.8	138.8	172.7	-80.2	168.4	0	0	0	108.9	L80 T83 D89 Y155 K443	L80-L85 HydrophobicContact CD1-CD1 4.47Å; T83-L85 PolarHBondContact O-N 3.15Å; L85-D89 VanDerWaalsContact CA-OD2 3.27Å; L85-D89 WeakPolarHBondContact CA-OD2 3.4Å; L85-D89 HydrophobicContact CD2-CB 4.17Å; L85-Y155 HydrophobicContact CD1-CD1 3.72Å; L85-Y155 HydrophobicContact CD1-CD2 4.46Å; L85-Y155 HydrophobicContact CD1-CE1 4.19Å; L85-Y155 HydrophobicContact CD1-CG 3.9Å; L85-K443 HydrophobicContact CD1-CD 3.94Å; L85-K443 HydrophobicContact CD1-CG 4.34Å
86	G	88.9	Confident	87.4	Confident	23 Å²	23	65.9 Å²	65.9	24%	0.237	31%	0.31	C	S	.	.			trans	-146.6	-178.9	175.8	0	0	0	0	0	111.9	D88 D89 F90	G86-D88 PolarHBondContact O-N 3.01Å; G86-D89 PolarHBondContact N-OD2 3.38Å; G86-D89 WeakPolarHBondContact O-CB 3.34Å; G86-D89 PolarHBondContact O-N 3.32Å; G86-F90 WeakPolarHBondContact O-CD2 3.4Å
87	L	90.8	Very high	87.5	Confident	45 Å²	45	64.1 Å²	64.1	24%	0.236	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-59.7	-34.9	-179.5	-176.4	64.5	0	0	0	112.2	D89 F90 M118 F157 Y164 L420	L87-D89 PolarHBondContact O-N 2.77Å; L87-D89 VanDerWaalsContact O-N 3.13Å; L87-F90 PolarHBondContact O-N 3.12Å; L87-M118 HydrophobicContact CD1-CE 3.76Å; L87-M118 HydrophobicContact CD1-SD 4.02Å; L87-F157 HydrophobicContact CB-CE2 4.5Å; L87-Y164 HydrophobicContact CD1-CD1 4.47Å; L87-Y164 HydrophobicContact CD1-CE1 3.89Å; L87-L420 HydrophobicContact CD1-CD2 3.93Å; L87-L420 HydrophobicContact CD2-CD2 3.9Å
88	D	92.3	Very high	87.6	Confident	136 Å²	136	68.1 Å²	68.1	73%	0.727	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-64	-17.6	-179.3	-63.8	-34	0	0	0	113.9	G86 F90 K110	G86-D88 PolarHBondContact O-N 3.01Å; D88-F90 PolarHBondContact O-N 2.89Å; D88-K110 WeakPolarHBondContact O-CD 3.49Å; D88-K110 VanDerWaalsContact O-CE 3.3Å; D88-K110 WeakPolarHBondContact O-CE 3.33Å; D88-K110 PolarHBondContact O-NZ 3.33Å
89	D	92.1	Very high	87.1	Confident	53 Å²	53	67 Å²	67	28%	0.283	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-77.3	-9.3	175.7	-62.4	-58	0	0	0	113	L85 G86 L87 K110	L85-D89 VanDerWaalsContact CA-OD2 3.27Å; L85-D89 WeakPolarHBondContact CA-OD2 3.4Å; L85-D89 HydrophobicContact CD2-CB 4.17Å; G86-D89 PolarHBondContact N-OD2 3.38Å; G86-D89 WeakPolarHBondContact O-CB 3.34Å; G86-D89 PolarHBondContact O-N 3.32Å; L87-D89 PolarHBondContact O-N 2.77Å; L87-D89 VanDerWaalsContact O-N 3.13Å; D89-K110 PolarHBondContact O-N 3.38Å
90	F	94.7	Very high	86.4	Confident	10 Å²	10	62.6 Å²	62.6	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.4	-176.4	-60.5	-90.4	0	0	0	110.9	G86 L87 D88 V107 Q108 K109 K110 Y116 Y155 F157 I166	G86-F90 WeakPolarHBondContact O-CD2 3.4Å; L87-F90 PolarHBondContact O-N 3.12Å; D88-F90 PolarHBondContact O-N 2.89Å; F90-V107 HydrophobicContact CB-CB 4.36Å; F90-V107 HydrophobicContact CB-CG2 4.49Å; F90-V107 HydrophobicContact CD1-CG2 3.89Å; F90-V107 HydrophobicContact CG-CG2 4.5Å; F90-Q108 CarbonylContact C-O 3.48Å; F90-Q108 WeakPolarHBondContact CA-O 3.49Å; F90-K109 HydrophobicContact CD1-CB 4Å; F90-K109 HydrophobicContact CD1-CG 4.13Å; F90-K109 HydrophobicContact CE1-CB 3.89Å; F90-K109 HydrophobicContact CE1-CD 4.33Å; F90-K109 HydrophobicContact CE1-CG 3.76Å; F90-K109 HydrophobicContact CZ-CG 4.23Å; F90-K110 WeakPolarHBondContact O-CE 3.22Å; F90-Y116 HydrophobicContact CE1-CD2 4.2Å; F90-Y155 HydrophobicContact CZ-CD2 4.06Å; F90-Y155 HydrophobicContact CZ-CE2 4.4Å; F90-F157 HydrophobicContact CD2-CE1 4.33Å; F90-F157 HydrophobicContact CD2-CZ 4.21Å; F90-F157 AromaticContact CE2-CE1 3.76Å; F90-F157 HydrophobicContact CE2-CE1 3.76Å; F90-F157 HydrophobicContact CE2-CZ 4.1Å; F90-F157 HydrophobicContact CZ-CE1 4.49Å; F90-I166 HydrophobicContact CD1-CD1 4.5Å; F90-I166 HydrophobicContact CE1-CD1 4.18Å; F90-I166 HydrophobicContact CE1-CG1 4.29Å; F90-I166 HydrophobicContact CE1-CG2 4.11Å; F90-I166 HydrophobicContact CE2-CD1 4.34Å; F90-I166 HydrophobicContact CE2-CG1 4.38Å; F90-I166 HydrophobicContact CZ-CD1 4.1Å; F90-I166 HydrophobicContact CZ-CG1 3.92Å; F90-I166 HydrophobicContact CZ-CG2 4.39Å
91	E	95.4	Very high	86.1	Confident	101 Å²	101	63.9 Å²	63.9	47%	0.472	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.3	170.2	-177.6	171.2	-177.8	0	0	108.8	L93 V107 Q108 K110	E91-L93 HydrophobicContact CG-CD2 4.34Å; E91-V107 CarbonylContact O-C 3.57Å; E91-V107 WeakPolarHBondContact O-CA 3.49Å; E91-V107 WeakPolarHBondContact O-CB 3.47Å; E91-Q108 PolarHBondContact N-O 3.22Å; E91-Q108 PolarHBondContact O-N 3.04Å; E91-K110 HydrophobicContact CB-CG 4.45Å
92	S	95.1	Very high	86.3	Confident	44 Å²	44	61.9 Å²	61.9	31%	0.308	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.6	176.4	173.5	0	0	0	0	109.8	R105	S92-R105 VanDerWaalsContact OG-CD 3.29Å; S92-R105 WeakPolarHBondContact OG-CD 3.48Å; S92-R105 PolarHBondContact OG-NH1 3.01Å; S92-R105 VanDerWaalsContact OG-NH1 3.12Å
93	L	93.9	Very high	86.7	Confident	65 Å²	65	52.9 Å²	52.9	34%	0.34	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-52.2	-179.9	-57.8	-177.8	0	0	0	112.1	E91 L106 Q108 I115	E91-L93 HydrophobicContact CG-CD2 4.34Å; L93-L106 HydrophobicContact CB-CB 4.43Å; L93-L106 HydrophobicContact CB-CD2 4.32Å; L93-L106 HydrophobicContact CB-CG 4.4Å; L93-L106 WeakPolarHBondContact CB-O 3.47Å; L93-L106 HydrophobicContact CD1-CD2 4.09Å; L93-L106 HydrophobicContact CD1-CG 4.21Å; L93-L106 PolarHBondContact N-O 3.09Å; L93-Q108 HydrophobicContact CD1-CB 4.15Å; L93-Q108 HydrophobicContact CD2-CB 4.43Å; L93-Q108 HydrophobicContact CG-CB 4.38Å; L93-I115 HydrophobicContact CD1-CD1 3.77Å
94	K	94.1	Very high	87.3	Confident	55 Å²	55	51.4 Å²	51.4	24%	0.239	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	145.6	-176.5	-167.9	-179.3	176.8	-178.7	0	111.6	R105 L106 T408 D413	K94-R105 CarbonylContact O-C 3.53Å; K94-R105 VanDerWaalsContact O-CA 3.28Å; K94-R105 WeakPolarHBondContact O-CA 3.34Å; K94-L106 PolarHBondContact N-O 2.88Å; K94-L106 PolarHBondContact O-N 3.5Å; K94-T408 HydrophobicContact CD-CG2 4.09Å; K94-T408 VanDerWaalsContact CD-OG1 3.25Å; K94-T408 WeakPolarHBondContact CD-OG1 3.42Å; K94-T408 PolarHBondContact NZ-OG1 3.02Å; K94-T408 VanDerWaalsContact NZ-OG1 3.14Å; K94-D413 WeakPolarHBondContact CE-OD1 3.41Å; K94-D413 IonicContact NZ-OD1 2.73Å; K94-D413 PolarHBondContact NZ-OD1 2.92Å
95	V	93.5	Very high	88	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.8	165.7	-175.6	0	0	0	0	109	R98 R105 F414	V95-R98 HydrophobicContact CG1-CG 4.35Å; V95-R105 HydrophobicContact CG2-CG 4.21Å; V95-F414 HydrophobicContact CB-CB 3.99Å; V95-F414 HydrophobicContact CG1-CB 3.68Å; V95-F414 HydrophobicContact CG1-CG 4.18Å
96	I	91.1	Very high	88.5	Confident	11 Å²	11	40.1 Å²	40.1	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-9.5	-176.3	59.5	172.8	0	0	0	113.3	V104 L106 A117 F169 T408 F411 F414	I96-V104 HydrophobicContact CD1-CG1 3.95Å; I96-V104 HydrophobicContact CG1-CB 4.19Å; I96-V104 HydrophobicContact CG1-CG1 3.85Å; I96-V104 WeakPolarHBondContact CG1-O 3.39Å; I96-V104 PolarHBondContact N-O 2.74Å; I96-L106 HydrophobicContact CD1-CB 4.5Å; I96-L106 HydrophobicContact CG2-CB 3.95Å; I96-A117 HydrophobicContact CD1-CB 4.33Å; I96-F169 HydrophobicContact CD1-CD2 3.97Å; I96-F169 HydrophobicContact CD1-CE2 3.85Å; I96-T408 HydrophobicContact CG2-CG2 3.69Å; I96-F411 HydrophobicContact CB-CB 4.47Å; I96-F411 HydrophobicContact CB-CD1 3.92Å; I96-F411 HydrophobicContact CB-CE1 4.34Å; I96-F411 HydrophobicContact CB-CG 4.13Å; I96-F411 HydrophobicContact CD1-CE1 4.33Å; I96-F411 HydrophobicContact CG2-CG 4.45Å; I96-F411 WeakPolarHBondContact O-CD1 3.42Å; I96-F414 WeakPolarHBondContact O-CE2 3.38Å
97	G	86.6	Confident	88.9	Confident	15 Å²	15	39 Å²	39	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	153.3	176.1	0	0	0	0	0	112.1	E103 V104	G97-E103 WeakPolarHBondContact O-CA 3.46Å; G97-E103 WeakPolarHBondContact O-CB 3.33Å; G97-V104 PolarHBondContact N-O 2.77Å; G97-V104 VanDerWaalsContact N-O 3.14Å; G97-V104 PolarHBondContact O-N 2.69Å
98	R	82.6	Confident	89.1	Confident	90 Å²	90	39.9 Å²	39.9	34%	0.34	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137	170.7	-72.6	-173.6	177.4	-167.4	-1.9	109.3	V95 E103 Y281 F414 P415 E416	V95-R98 HydrophobicContact CG1-CG 4.35Å; R98-E103 HydrophobicContact CG-CB 4.15Å; R98-Y281 HydrophobicContact CB-CD1 4.32Å; R98-Y281 HydrophobicContact CB-CE1 4.38Å; R98-Y281 VanDerWaalsContact O-CD1 3.26Å; R98-Y281 WeakPolarHBondContact O-CD1 3.23Å; R98-Y281 WeakPolarHBondContact O-CE1 3.27Å; R98-F414 HydrophobicContact CB-CD1 4.17Å; R98-F414 HydrophobicContact CB-CE1 4.04Å; R98-F414 HydrophobicContact CG-CD1 3.73Å; R98-F414 HydrophobicContact CG-CE1 4.12Å; R98-F414 HydrophobicContact CG-CG 4.37Å; R98-P415 PolarHBondContact NH2-O 3.28Å; R98-E416 PolarHBondContact NH2-O 2.98Å
99	G	72.2	Confident	89.1	Confident	43 Å²	43	33.8 Å²	33.8	44%	0.443	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	175.1	175.2	0	0	0	0	0	111.5	F101 G102	G99-F101 PolarHBondContact O-N 2.81Å; G99-G102 PolarHBondContact N-O 2.85Å; G99-G102 PolarHBondContact O-N 3.23Å; G99-G102 VanDerWaalsContact O-O 3.04Å
100	A	68.6	Low	89.2	Confident	29 Å²	29	37.2 Å²	37.2	24%	0.24	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.8	179.2	0	0	0	0	0	115.1	T283	A100-T283 HydrophobicContact CB-CG2 3.8Å
101	F	72.5	Confident	88.8	Confident	50 Å²	50	42 Å²	42	22%	0.219	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	3.2	-167	-58.2	-69.8	0	0	0	113.8	G99 L121 R122 M126 K129 Q131	G99-F101 PolarHBondContact O-N 2.81Å; F101-L121 HydrophobicContact CB-CD2 4.15Å; F101-R122 PolarHBondContact O-N 3.28Å; F101-M126 HydrophobicContact CB-CE 3.38Å; F101-M126 HydrophobicContact CD1-CE 3.14Å; F101-M126 HydrophobicContact CD2-CE 4.26Å; F101-M126 HydrophobicContact CE1-CE 3.9Å; F101-M126 HydrophobicContact CG-CE 3.35Å; F101-K129 HydrophobicContact CD1-CD 3.96Å; F101-K129 HydrophobicContact CE1-CB 4.29Å; F101-K129 HydrophobicContact CE1-CD 3.43Å; F101-K129 VanDerWaalsContact CE1-CD 3.43Å; F101-Q131 HydrophobicContact CE1-CG 3.76Å; F101-Q131 HydrophobicContact CZ-CG 3.92Å
102	G	82.3	Confident	88.3	Confident	16 Å²	16	39.3 Å²	39.3	17%	0.165	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-161.1	-167	0	0	0	0	0	113.4	G99 I120	G99-G102 PolarHBondContact N-O 2.85Å; G99-G102 PolarHBondContact O-N 3.23Å; G99-G102 VanDerWaalsContact O-O 3.04Å; G102-I120 CarbonylContact C-O 3.59Å; G102-I120 WeakPolarHBondContact CA-O 3.12Å
103	E	89.1	Confident	88	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	164.9	-179	68.1	-177.8	-153.6	0	0	111.9	G97 R98 R105 I120 S417 I419	G97-E103 WeakPolarHBondContact O-CA 3.46Å; G97-E103 WeakPolarHBondContact O-CB 3.33Å; R98-E103 HydrophobicContact CG-CB 4.15Å; E103-R105 HydrophobicContact CG-CG 4.49Å; E103-R105 IonicContact OE1-CZ 2.72Å; E103-R105 IonicContact OE1-NE 3.51Å; E103-R105 PolarHBondContact OE1-NE 3.48Å; E103-R105 IonicContact OE1-NH2 2.96Å; E103-R105 PolarHBondContact OE1-NH2 3.17Å; E103-I120 HydrophobicContact CG-CD1 4.12Å; E103-I120 PolarHBondContact N-O 2.74Å; E103-I120 VanDerWaalsContact N-O 3.09Å; E103-I120 PolarHBondContact O-N 3.3Å; E103-S417 PolarHBondContact OE1-OG 3.44Å; E103-S417 VanDerWaalsContact OE1-OG 3.07Å; E103-S417 WeakPolarHBondContact OE2-CB 3.42Å; E103-S417 PolarHBondContact OE2-OG 2.97Å; E103-I419 VanDerWaalsContact CD-CG2 3.42Å; E103-I419 HydrophobicContact CG-CD1 4.13Å; E103-I419 HydrophobicContact CG-CG2 3.89Å; E103-I419 WeakPolarHBondContact OE1-CG2 3.41Å
104	V	92.1	Very high	87.9	Confident	37 Å²	37	37.6 Å²	37.6	22%	0.224	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.4	177.7	-171.6	0	0	0	0	108.2	I96 G97 A117 M118 K119	I96-V104 HydrophobicContact CD1-CG1 3.95Å; I96-V104 HydrophobicContact CG1-CB 4.19Å; I96-V104 HydrophobicContact CG1-CG1 3.85Å; I96-V104 WeakPolarHBondContact CG1-O 3.39Å; I96-V104 PolarHBondContact N-O 2.74Å; G97-V104 PolarHBondContact N-O 2.77Å; G97-V104 VanDerWaalsContact N-O 3.14Å; G97-V104 PolarHBondContact O-N 2.69Å; V104-A117 HydrophobicContact CG1-CB 4.21Å; V104-M118 CarbonylContact C-O 3.56Å; V104-M118 WeakPolarHBondContact CA-O 2.98Å; V104-K119 HydrophobicContact CG2-CB 4.28Å; V104-K119 HydrophobicContact CG2-CG 4.16Å
105	R	95	Very high	87.9	Confident	8 Å²	8	36.2 Å²	36.2	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142	177.6	-61.5	-165.5	-179.5	-137.7	-7.1	111.2	S92 K94 V95 E103 V107 A117 M118 I120 E416 S417 L420	S92-R105 VanDerWaalsContact OG-CD 3.29Å; S92-R105 WeakPolarHBondContact OG-CD 3.48Å; S92-R105 PolarHBondContact OG-NH1 3.01Å; S92-R105 VanDerWaalsContact OG-NH1 3.12Å; K94-R105 CarbonylContact O-C 3.53Å; K94-R105 VanDerWaalsContact O-CA 3.28Å; K94-R105 WeakPolarHBondContact O-CA 3.34Å; V95-R105 HydrophobicContact CG2-CG 4.21Å; E103-R105 HydrophobicContact CG-CG 4.49Å; E103-R105 IonicContact OE1-CZ 2.72Å; E103-R105 IonicContact OE1-NE 3.51Å; E103-R105 PolarHBondContact OE1-NE 3.48Å; E103-R105 IonicContact OE1-NH2 2.96Å; E103-R105 PolarHBondContact OE1-NH2 3.17Å; R105-V107 HydrophobicContact CB-CG1 4.07Å; R105-A117 CarbonylContact O-C 3.6Å; R105-A117 WeakPolarHBondContact O-CA 3.3Å; R105-M118 PolarHBondContact N-O 3.42Å; R105-M118 PolarHBondContact O-N 3.09Å; R105-I120 HydrophobicContact CG-CD1 4Å; R105-E416 IonicContact CZ-OE2 3.29Å; R105-E416 IonicContact NH1-OE1 2.77Å; R105-E416 IonicContact NH1-OE2 2.6Å; R105-E416 PolarHBondContact NH1-OE2 3.47Å; R105-E416 IonicContact NH2-OE2 2.7Å; R105-E416 PolarHBondContact NH2-OE2 3.32Å; R105-S417 PolarHBondContact NH2-O 3.41Å; R105-S417 VanDerWaalsContact NH2-O 3.09Å; R105-S417 PolarHBondContact NH2-OG 3.07Å; R105-L420 VanDerWaalsContact CZ-CD1 3.48Å
106	L	96.1	Very high	88	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.2	159.7	-170.8	70.4	0	0	0	108.3	L93 K94 I96 I115 F169 D406 T408	L93-L106 HydrophobicContact CB-CB 4.43Å; L93-L106 HydrophobicContact CB-CD2 4.32Å; L93-L106 HydrophobicContact CB-CG 4.4Å; L93-L106 WeakPolarHBondContact CB-O 3.47Å; L93-L106 HydrophobicContact CD1-CD2 4.09Å; L93-L106 HydrophobicContact CD1-CG 4.21Å; L93-L106 PolarHBondContact N-O 3.09Å; K94-L106 PolarHBondContact N-O 2.88Å; K94-L106 PolarHBondContact O-N 3.5Å; I96-L106 HydrophobicContact CD1-CB 4.5Å; I96-L106 HydrophobicContact CG2-CB 3.95Å; L106-I115 HydrophobicContact CD1-CG2 3.33Å; L106-I115 HydrophobicContact CG-CG2 4.04Å; L106-F169 HydrophobicContact CD1-CB 4.07Å; L106-F169 HydrophobicContact CD1-CD1 3.58Å; L106-F169 HydrophobicContact CD1-CD2 3.5Å; L106-F169 HydrophobicContact CD1-CE1 3.78Å; L106-F169 HydrophobicContact CD1-CE2 3.73Å; L106-F169 HydrophobicContact CD1-CG 3.42Å; L106-F169 VanDerWaalsContact CD1-CG 3.42Å; L106-F169 HydrophobicContact CD1-CZ 3.86Å; L106-D406 HydrophobicContact CD2-CB 4Å; L106-T408 HydrophobicContact CD2-CG2 3.75Å
107	V	96.3	Very high	88.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152	-178.9	-56.3	0	0	0	0	111.6	F90 E91 R105 I115 Y116 M118	F90-V107 HydrophobicContact CB-CB 4.36Å; F90-V107 HydrophobicContact CB-CG2 4.49Å; F90-V107 HydrophobicContact CD1-CG2 3.89Å; F90-V107 HydrophobicContact CG-CG2 4.5Å; E91-V107 CarbonylContact O-C 3.57Å; E91-V107 WeakPolarHBondContact O-CA 3.49Å; E91-V107 WeakPolarHBondContact O-CB 3.47Å; R105-V107 HydrophobicContact CB-CG1 4.07Å; V107-I115 WeakPolarHBondContact O-CA 3.43Å; V107-Y116 PolarHBondContact N-O 3.3Å; V107-Y116 PolarHBondContact O-N 3.43Å; V107-M118 HydrophobicContact CB-CB 4.43Å; V107-M118 HydrophobicContact CG1-CB 3.64Å; V107-M118 HydrophobicContact CG1-CE 3.57Å; V107-M118 HydrophobicContact CG1-CG 4.45Å; V107-M118 HydrophobicContact CG1-SD 4.1Å; V107-M118 HydrophobicContact CG2-CB 3.84Å
108	Q	95.3	Very high	88.6	Confident	62 Å²	62	35.5 Å²	35.5	29%	0.29	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.5	171.5	-171.8	171.6	45.4	0	0	110.1	F90 E91 L93 K110 G113 H114 I115	F90-Q108 CarbonylContact C-O 3.48Å; F90-Q108 WeakPolarHBondContact CA-O 3.49Å; E91-Q108 PolarHBondContact N-O 3.22Å; E91-Q108 PolarHBondContact O-N 3.04Å; L93-Q108 HydrophobicContact CD1-CB 4.15Å; L93-Q108 HydrophobicContact CD2-CB 4.43Å; L93-Q108 HydrophobicContact CG-CB 4.38Å; Q108-K110 PolarHBondContact O-N 3.36Å; Q108-G113 WeakPolarHBondContact CG-O 3.43Å; Q108-G113 PolarHBondContact NE2-O 2.89Å; Q108-H114 CarbonylContact C-O 3.57Å; Q108-H114 WeakPolarHBondContact CA-O 3.32Å; Q108-I115 HydrophobicContact CB-CD1 3.95Å; Q108-I115 HydrophobicContact CG-CD1 4.02Å
109	K	93.4	Very high	89.1	Confident	9 Å²	9	32.5 Å²	32.5	4%	0.039	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124	173.8	-163.2	-171	-171.3	-64.3	0	109.7	F90 D111 T112 G113 H114 Y116	F90-K109 HydrophobicContact CD1-CB 4Å; F90-K109 HydrophobicContact CD1-CG 4.13Å; F90-K109 HydrophobicContact CE1-CB 3.89Å; F90-K109 HydrophobicContact CE1-CD 4.33Å; F90-K109 HydrophobicContact CE1-CG 3.76Å; F90-K109 HydrophobicContact CZ-CG 4.23Å; K109-D111 VanDerWaalsContact CD-OD1 3.28Å; K109-D111 WeakPolarHBondContact CD-OD1 3.28Å; K109-D111 WeakPolarHBondContact CE-OD1 3.41Å; K109-D111 VanDerWaalsContact CG-OD1 3.24Å; K109-D111 WeakPolarHBondContact CG-OD1 3.29Å; K109-D111 IonicContact NZ-OD1 3.91Å; K109-D111 PolarHBondContact NZ-OD1 2.99Å; K109-D111 IonicContact NZ-OD2 3.39Å; K109-D111 PolarHBondContact NZ-OD2 3.03Å; K109-D111 PolarHBondContact O-N 3.29Å; K109-T112 HydrophobicContact CD-CG2 4.44Å; K109-T112 PolarHBondContact O-N 2.94Å; K109-G113 VanDerWaalsContact O-CA 3.32Å; K109-G113 WeakPolarHBondContact O-CA 3.39Å; K109-G113 PolarHBondContact O-N 3.07Å; K109-H114 PolarHBondContact N-O 3.47Å; K109-Y116 HydrophobicContact CB-CD2 4.2Å; K109-Y116 HydrophobicContact CB-CE2 3.8Å; K109-Y116 HydrophobicContact CD-CE2 4.34Å
110	K	92.5	Very high	90	Very high	124 Å²	124	30.5 Å²	30.5	54%	0.539	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.3	-166.6	-68.1	179.2	-177.5	168	0	115	D88 D89 F90 E91 Q108	D88-K110 WeakPolarHBondContact O-CD 3.49Å; D88-K110 VanDerWaalsContact O-CE 3.3Å; D88-K110 WeakPolarHBondContact O-CE 3.33Å; D88-K110 PolarHBondContact O-NZ 3.33Å; D89-K110 PolarHBondContact O-N 3.38Å; F90-K110 WeakPolarHBondContact O-CE 3.22Å; E91-K110 HydrophobicContact CB-CG 4.45Å; Q108-K110 PolarHBondContact O-N 3.36Å
111	D	86.3	Confident	91	Very high	112 Å²	112	29.6 Å²	29.6	60%	0.599	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-25.4	-177.2	64.8	-24.7	0	0	0	113.7	K109	K109-D111 VanDerWaalsContact CD-OD1 3.28Å; K109-D111 WeakPolarHBondContact CD-OD1 3.28Å; K109-D111 WeakPolarHBondContact CE-OD1 3.41Å; K109-D111 VanDerWaalsContact CG-OD1 3.24Å; K109-D111 WeakPolarHBondContact CG-OD1 3.29Å; K109-D111 IonicContact NZ-OD1 3.91Å; K109-D111 PolarHBondContact NZ-OD1 2.99Å; K109-D111 IonicContact NZ-OD2 3.39Å; K109-D111 PolarHBondContact NZ-OD2 3.03Å; K109-D111 PolarHBondContact O-N 3.29Å
112	T	86.6	Confident	91.6	Very high	44 Å²	44	32.4 Å²	32.4	27%	0.27	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-14.3	-177.1	66.9	0	0	0	0	114.1	K109 H114	K109-T112 HydrophobicContact CD-CG2 4.44Å; K109-T112 PolarHBondContact O-N 2.94Å; T112-H114 WeakPolarHBondContact CB-ND1 3.39Å; T112-H114 PolarHBondContact O-N 2.96Å; T112-H114 PolarHBondContact O-ND1 3.12Å; T112-H114 WeakPolarHBondContact OG1-CB 3.21Å; T112-H114 PolarHBondContact OG1-N 3.46Å; T112-H114 PolarHBondContact OG1-ND1 3.19Å
113	G	88.5	Confident	91.8	Very high	29 Å²	29	32.1 Å²	32.1	30%	0.299	16%	0.162	S	C	.	.			trans	66.4	8.3	-172.4	0	0	0	0	0	114.6	Q108 K109	Q108-G113 WeakPolarHBondContact CG-O 3.43Å; Q108-G113 PolarHBondContact NE2-O 2.89Å; K109-G113 VanDerWaalsContact O-CA 3.32Å; K109-G113 WeakPolarHBondContact O-CA 3.39Å; K109-G113 PolarHBondContact O-N 3.07Å
114	H	90.4	Very high	91.5	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.199	17%	0.174	C	C	.	.			trans	-76.3	141.7	-176.7	-76.8	59.8	0	0	0	111.7	Q108 K109 T112 Y116 Q450 G452	Q108-H114 CarbonylContact C-O 3.57Å; Q108-H114 WeakPolarHBondContact CA-O 3.32Å; K109-H114 PolarHBondContact N-O 3.47Å; T112-H114 WeakPolarHBondContact CB-ND1 3.39Å; T112-H114 PolarHBondContact O-N 2.96Å; T112-H114 PolarHBondContact O-ND1 3.12Å; T112-H114 WeakPolarHBondContact OG1-CB 3.21Å; T112-H114 PolarHBondContact OG1-N 3.46Å; T112-H114 PolarHBondContact OG1-ND1 3.19Å; H114-Y116 HydrophobicContact CB-CD2 4.49Å; H114-Y116 HydrophobicContact CB-CE2 3.59Å; H114-Y116 WeakPolarHBondContact O-CD2 3.34Å; H114-Y116 WeakPolarHBondContact O-CE2 3.34Å; H114-Q450 PolarHBondContact CD2-O 2.82Å; H114-Q450 PolarHBondContact CE1-O 3.25Å; H114-Q450 PolarHBondContact ND1-O 2.69Å; H114-Q450 PolarHBondContact NE2-O 3.45Å; H114-G452 PolarHBondContact CE1-N 3.38Å; H114-G452 VanDerWaalsContact CE1-N 3.27Å; H114-G452 PolarHBondContact NE2-N 3.02Å
115	I	94.3	Very high	91	Very high	26 Å²	26	33.2 Å²	33.2	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.1	-179	-58.3	-59.4	0	0	0	110.1	L93 L106 V107 Q108 F169 I405 D406	L93-I115 HydrophobicContact CD1-CD1 3.77Å; L106-I115 HydrophobicContact CD1-CG2 3.33Å; L106-I115 HydrophobicContact CG-CG2 4.04Å; V107-I115 WeakPolarHBondContact O-CA 3.43Å; Q108-I115 HydrophobicContact CB-CD1 3.95Å; Q108-I115 HydrophobicContact CG-CD1 4.02Å; I115-F169 HydrophobicContact CG2-CB 4.12Å; I115-F169 HydrophobicContact CG2-CD1 3.94Å; I115-F169 HydrophobicContact CG2-CG 4.26Å; I115-I405 HydrophobicContact CG1-CD1 3.95Å; I115-I405 HydrophobicContact CG1-CG1 4.24Å; I115-D406 HydrophobicContact CD1-CB 4.24Å; I115-D406 HydrophobicContact CG1-CB 4.32Å
116	Y	95.7	Very high	90.3	Very high	2 Å²	2	33 Å²	33	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.9	178.4	-60.9	-79.9	0	0	0	111	F90 V107 K109 H114 F154 I166 M167 Q450	F90-Y116 HydrophobicContact CE1-CD2 4.2Å; V107-Y116 PolarHBondContact N-O 3.3Å; V107-Y116 PolarHBondContact O-N 3.43Å; K109-Y116 HydrophobicContact CB-CD2 4.2Å; K109-Y116 HydrophobicContact CB-CE2 3.8Å; K109-Y116 HydrophobicContact CD-CE2 4.34Å; H114-Y116 HydrophobicContact CB-CD2 4.49Å; H114-Y116 HydrophobicContact CB-CE2 3.59Å; H114-Y116 WeakPolarHBondContact O-CD2 3.34Å; H114-Y116 WeakPolarHBondContact O-CE2 3.34Å; Y116-F154 AromaticContact CD1-CD2 3.69Å; Y116-F154 HydrophobicContact CD1-CD2 3.69Å; Y116-F154 HydrophobicContact CD1-CE2 4.12Å; Y116-F154 HydrophobicContact CD1-CG 4.47Å; Y116-F154 HydrophobicContact CE1-CB 4.46Å; Y116-F154 AromaticContact CE1-CD2 3.51Å; Y116-F154 HydrophobicContact CE1-CD2 3.51Å; Y116-F154 AromaticContact CE1-CE2 3.88Å; Y116-F154 HydrophobicContact CE1-CE2 3.88Å; Y116-F154 AromaticContact CE1-CG 3.96Å; Y116-F154 HydrophobicContact CE1-CG 3.96Å; Y116-I166 HydrophobicContact CD1-CG2 3.72Å; Y116-I166 HydrophobicContact CD2-CG2 4.18Å; Y116-I166 HydrophobicContact CE1-CG2 4.49Å; Y116-I166 HydrophobicContact CG-CG2 3.54Å; Y116-M167 WeakPolarHBondContact CA-O 3.48Å; Y116-M167 WeakPolarHBondContact CB-O 3.22Å; Y116-Q450 PolarHBondContact OH-OE1 3.3Å
117	A	95.8	Very high	89.4	Confident	9 Å²	9	34.4 Å²	34.4	7%	0.074	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.4	160.8	0	0	0	0	0	109.1	I96 V104 R105 M167	I96-A117 HydrophobicContact CD1-CB 4.33Å; V104-A117 HydrophobicContact CG1-CB 4.21Å; R105-A117 CarbonylContact O-C 3.6Å; R105-A117 WeakPolarHBondContact O-CA 3.3Å; A117-M167 PolarHBondContact N-O 2.89Å; A117-M167 PolarHBondContact O-N 3.12Å
118	M	95.1	Very high	88.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	109.8	177.5	178.6	169	75.3	0	0	109.9	L87 V104 R105 V107 I120 Y164 L165 I166 L420	L87-M118 HydrophobicContact CD1-CE 3.76Å; L87-M118 HydrophobicContact CD1-SD 4.02Å; V104-M118 CarbonylContact C-O 3.56Å; V104-M118 WeakPolarHBondContact CA-O 2.98Å; R105-M118 PolarHBondContact N-O 3.42Å; R105-M118 PolarHBondContact O-N 3.09Å; V107-M118 HydrophobicContact CB-CB 4.43Å; V107-M118 HydrophobicContact CG1-CB 3.64Å; V107-M118 HydrophobicContact CG1-CE 3.57Å; V107-M118 HydrophobicContact CG1-CG 4.45Å; V107-M118 HydrophobicContact CG1-SD 4.1Å; V107-M118 HydrophobicContact CG2-CB 3.84Å; M118-I120 HydrophobicContact CE-CD1 3.84Å; M118-I120 HydrophobicContact CE-CG1 4.06Å; M118-I120 HydrophobicContact CG-CG1 4Å; M118-Y164 HydrophobicContact CG-CD1 4.28Å; M118-Y164 HydrophobicContact SD-CD1 3.89Å; M118-Y164 HydrophobicContact SD-CE1 4.49Å; M118-L165 CarbonylContact C-O 3.54Å; M118-L165 VanDerWaalsContact CA-O 3.32Å; M118-L165 WeakPolarHBondContact CA-O 3.44Å; M118-I166 HydrophobicContact CB-CD1 3.81Å; M118-I166 HydrophobicContact CG-CD1 3.61Å; M118-I166 HydrophobicContact SD-CD1 3.82Å; M118-L420 HydrophobicContact CE-CD1 4.49Å; M118-L420 HydrophobicContact CE-CD2 4.39Å
119	K	92.6	Very high	87.2	Confident	28 Å²	28	42.6 Å²	42.6	12%	0.122	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.5	171.1	-172.9	171.8	-177	-178.1	0	108.9	V104 L121 E138 Y164 L165 M167 D231	V104-K119 HydrophobicContact CG2-CB 4.28Å; V104-K119 HydrophobicContact CG2-CG 4.16Å; K119-L121 HydrophobicContact CG-CD2 4.38Å; K119-L121 HydrophobicContact CG-CG 4.43Å; K119-E138 IonicContact NZ-OE1 3.99Å; K119-E138 PolarHBondContact NZ-OE1 3.5Å; K119-E138 IonicContact NZ-OE2 3.22Å; K119-E138 PolarHBondContact NZ-OE2 3.07Å; K119-Y164 WeakPolarHBondContact O-CA 3.38Å; K119-L165 HydrophobicContact CB-CB 4.33Å; K119-L165 HydrophobicContact CB-CD1 4.22Å; K119-L165 HydrophobicContact CD-CD1 4.34Å; K119-L165 HydrophobicContact CG-CD1 4.31Å; K119-L165 PolarHBondContact N-O 3.28Å; K119-L165 PolarHBondContact O-N 2.92Å; K119-M167 HydrophobicContact CB-CE 3.73Å; K119-M167 HydrophobicContact CD-CE 4.41Å; K119-D231 IonicContact NZ-OD1 2.73Å; K119-D231 PolarHBondContact NZ-OD1 3.1Å
120	I	92	Very high	86.3	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.3	-176.9	-50.9	159.6	0	0	0	107.5	G102 E103 R105 M118 N162 L163 Y164 I419 L420	G102-I120 CarbonylContact C-O 3.59Å; G102-I120 WeakPolarHBondContact CA-O 3.12Å; E103-I120 HydrophobicContact CG-CD1 4.12Å; E103-I120 PolarHBondContact N-O 2.74Å; E103-I120 VanDerWaalsContact N-O 3.09Å; E103-I120 PolarHBondContact O-N 3.3Å; R105-I120 HydrophobicContact CG-CD1 4Å; M118-I120 HydrophobicContact CE-CD1 3.84Å; M118-I120 HydrophobicContact CE-CG1 4.06Å; M118-I120 HydrophobicContact CG-CG1 4Å; I120-N162 HydrophobicContact CG2-CB 3.97Å; I120-L163 WeakPolarHBondContact CA-O 3.37Å; I120-Y164 HydrophobicContact CG1-CD1 4.04Å; I120-Y164 HydrophobicContact CG1-CE1 4.12Å; I120-Y164 HydrophobicContact CG2-CD1 4.26Å; I120-Y164 HydrophobicContact CG2-CE1 3.88Å; I120-I419 HydrophobicContact CB-CD1 4.23Å; I120-I419 HydrophobicContact CD1-CG2 3.89Å; I120-I419 HydrophobicContact CG2-CD1 3.83Å; I120-I419 HydrophobicContact CG2-CG1 4.09Å; I120-I419 HydrophobicContact CG2-CG2 4.43Å; I120-L420 HydrophobicContact CD1-CD2 3.61Å; I120-L420 HydrophobicContact CD1-CG 4.2Å
121	L	88.4	Confident	85.4	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.6	-179	-59.2	169.5	0	0	0	110.3	F101 K119 K123 I135 N162 L163 L165	F101-L121 HydrophobicContact CB-CD2 4.15Å; K119-L121 HydrophobicContact CG-CD2 4.38Å; K119-L121 HydrophobicContact CG-CG 4.43Å; L121-K123 PolarHBondContact O-N 3.4Å; L121-I135 HydrophobicContact CD1-CG1 4.38Å; L121-N162 CarbonylContact O-C 3.11Å; L121-N162 VanDerWaalsContact O-CA 3.27Å; L121-N162 WeakPolarHBondContact O-CA 3.43Å; L121-L163 HydrophobicContact CB-CB 4.29Å; L121-L163 PolarHBondContact N-O 3.05Å; L121-L163 PolarHBondContact O-N 3.32Å; L121-L165 HydrophobicContact CD1-CD1 3.93Å
122	R	86.2	Confident	84.9	Confident	109 Å²	109	41.7 Å²	41.7	41%	0.411	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.3	-179.8	-64.6	-178.2	-178.5	-167.2	-1.3	110.9	F101 A124 D125 M126 I419	F101-R122 PolarHBondContact O-N 3.28Å; R122-A124 VanDerWaalsContact C-N 3.27Å; R122-A124 PolarHBondContact O-N 2.88Å; R122-D125 HydrophobicContact CB-CB 4.21Å; R122-D125 PolarHBondContact O-N 3.03Å; R122-M126 VanDerWaalsContact O-CG 3.23Å; R122-M126 WeakPolarHBondContact O-CG 3.36Å; R122-M126 PolarHBondContact O-N 2.93Å; R122-I419 HydrophobicContact CG-CD1 4Å; R122-I419 HydrophobicContact CG-CG1 4.23Å
123	K	86.3	Confident	84.3	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-37.8	179.9	-73.9	-179.8	167.8	-173.7	0	112.9	L121 M126 L127 Q158 D159 R161 L163 D434 F437	L121-K123 PolarHBondContact O-N 3.4Å; K123-M126 PolarHBondContact O-N 2.79Å; K123-L127 WeakPolarHBondContact O-CG 2.86Å; K123-L127 PolarHBondContact O-N 3.02Å; K123-Q158 VanDerWaalsContact CE-OE1 3.26Å; K123-D159 WeakPolarHBondContact CE-O 3.47Å; K123-D159 PolarHBondContact NZ-O 3.25Å; K123-R161 VanDerWaalsContact CB-O 3.29Å; K123-R161 WeakPolarHBondContact CB-O 3.33Å; K123-R161 WeakPolarHBondContact CG-O 3.37Å; K123-R161 PolarHBondContact N-O 3.48Å; K123-L163 HydrophobicContact CD-CD2 4.42Å; K123-L163 HydrophobicContact CG-CD2 4.06Å; K123-L163 HydrophobicContact CG-CG 3.98Å; K123-D434 IonicContact NZ-OD1 3.37Å; K123-D434 PolarHBondContact NZ-OD1 3.27Å; K123-F437 HydrophobicContact CB-CE2 4.03Å; K123-F437 HydrophobicContact CB-CZ 4.35Å; K123-F437 HydrophobicContact CD-CD2 4.02Å; K123-F437 HydrophobicContact CD-CE2 4.02Å; K123-F437 HydrophobicContact CG-CD2 4.19Å; K123-F437 HydrophobicContact CG-CE2 3.82Å; K123-F437 HydrophobicContact CG-CZ 4.22Å
124	A	83.7	Confident	83.6	Confident	35 Å²	35	43.2 Å²	43.2	29%	0.289	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-52.2	178.4	0	0	0	0	0	111	R122 M126 L127 E128 F430	R122-A124 VanDerWaalsContact C-N 3.27Å; R122-A124 PolarHBondContact O-N 2.88Å; A124-M126 VanDerWaalsContact C-N 3.25Å; A124-M126 PolarHBondContact O-N 2.87Å; A124-L127 PolarHBondContact O-N 3.49Å; A124-L127 VanDerWaalsContact O-N 3.12Å; A124-E128 WeakPolarHBondContact O-CB 3.39Å; A124-E128 PolarHBondContact O-N 2.75Å; A124-F430 HydrophobicContact CB-CE2 3.96Å; A124-F430 HydrophobicContact CB-CZ 4.15Å
125	D	80.2	Confident	82.9	Confident	34 Å²	34	41.5 Å²	41.5	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-35.4	179.4	-57.4	3.4	0	0	0	111.9	R122 K129	R122-D125 HydrophobicContact CB-CB 4.21Å; R122-D125 PolarHBondContact O-N 3.03Å; D125-K129 VanDerWaalsContact O-CB 3.29Å; D125-K129 WeakPolarHBondContact O-CB 3.35Å; D125-K129 WeakPolarHBondContact O-CG 3.13Å; D125-K129 PolarHBondContact O-N 2.85Å; D125-K129 VanDerWaalsContact O-N 3.08Å
126	M	79.9	Confident	82.1	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-36.4	177.4	-62.5	-65.5	87.7	0	0	113.3	F101 R122 K123 A124 E130 Q131 I135 F437	F101-M126 HydrophobicContact CB-CE 3.38Å; F101-M126 HydrophobicContact CD1-CE 3.14Å; F101-M126 HydrophobicContact CD2-CE 4.26Å; F101-M126 HydrophobicContact CE1-CE 3.9Å; F101-M126 HydrophobicContact CG-CE 3.35Å; R122-M126 VanDerWaalsContact O-CG 3.23Å; R122-M126 WeakPolarHBondContact O-CG 3.36Å; R122-M126 PolarHBondContact O-N 2.93Å; K123-M126 PolarHBondContact O-N 2.79Å; A124-M126 VanDerWaalsContact C-N 3.25Å; A124-M126 PolarHBondContact O-N 2.87Å; M126-E130 PolarHBondContact O-N 3.37Å; M126-Q131 HydrophobicContact CE-CB 3.95Å; M126-Q131 HydrophobicContact CE-CG 4.18Å; M126-Q131 PolarHBondContact O-N 3.17Å; M126-Q131 HydrophobicContact SD-CB 3.92Å; M126-I135 HydrophobicContact CB-CD1 3.66Å; M126-I135 HydrophobicContact CG-CD1 3.33Å; M126-I135 HydrophobicContact CG-CG1 4.34Å; M126-I135 HydrophobicContact SD-CD1 3.19Å; M126-I135 WeakPolarHBondContact SD-CD1 3.16Å; M126-I135 HydrophobicContact SD-CG1 3.56Å; M126-I135 VanDerWaalsContact SD-CG1 3.56Å; M126-F437 HydrophobicContact CB-CZ 4.28Å
127	L	78.1	Confident	81.1	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-77.9	-46.1	177.4	-70.4	171.6	0	0	0	111.4	K123 A124 K129 E130 V132 F430 K433 V436 F437	K123-L127 WeakPolarHBondContact O-CG 2.86Å; K123-L127 PolarHBondContact O-N 3.02Å; A124-L127 PolarHBondContact O-N 3.49Å; A124-L127 VanDerWaalsContact O-N 3.12Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.32Å; L127-E130 PolarHBondContact O-N 2.85Å; L127-V132 HydrophobicContact CD2-CG2 3.99Å; L127-F430 HydrophobicContact CD1-CD1 4.15Å; L127-K433 HydrophobicContact CD1-CB 4.11Å; L127-K433 HydrophobicContact CD2-CB 4.33Å; L127-K433 HydrophobicContact CD2-CD 4.35Å; L127-V436 HydrophobicContact CD2-CG2 3.89Å; L127-F437 HydrophobicContact CD1-CE2 4.39Å; L127-F437 HydrophobicContact CD2-CE2 4.38Å; L127-F437 HydrophobicContact CD2-CZ 4.26Å; L127-F437 HydrophobicContact CG-CE2 4.31Å; L127-F437 HydrophobicContact CG-CZ 4.21Å
128	E	75.1	Confident	80.4	Confident	155 Å²	155	46 Å²	46	72%	0.724	23%	0.228	S	C	*	.	H	α-helix	trans	-61.8	-38.4	-178.5	-174.2	179.4	-175.5	0	0	111.7	A124	A124-E128 WeakPolarHBondContact O-CB 3.39Å; A124-E128 PolarHBondContact O-N 2.75Å
129	K	71	Confident	79.7	Confident	78 Å²	78	47.4 Å²	47.4	34%	0.339	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	11.3	-178.3	-58.4	174.8	179.7	175.2	0	113.4	F101 D125 L127 Q131	F101-K129 HydrophobicContact CD1-CD 3.96Å; F101-K129 HydrophobicContact CE1-CB 4.29Å; F101-K129 HydrophobicContact CE1-CD 3.43Å; F101-K129 VanDerWaalsContact CE1-CD 3.43Å; D125-K129 VanDerWaalsContact O-CB 3.29Å; D125-K129 WeakPolarHBondContact O-CB 3.35Å; D125-K129 WeakPolarHBondContact O-CG 3.13Å; D125-K129 PolarHBondContact O-N 2.85Å; D125-K129 VanDerWaalsContact O-N 3.08Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.32Å; K129-Q131 VanDerWaalsContact C-N 3.27Å; K129-Q131 HydrophobicContact CB-CG 3.9Å; K129-Q131 WeakPolarHBondContact O-CG 3.18Å; K129-Q131 PolarHBondContact O-N 2.77Å; K129-Q131 PolarHBondContact O-NE2 3.38Å
130	E	73.2	Confident	79.1	Confident	164 Å²	164	48.8 Å²	48.8	77%	0.766	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.6	178.1	-56.6	-173.1	171.5	0	0	115.1	M126 L127 V132	M126-E130 PolarHBondContact O-N 3.37Å; L127-E130 PolarHBondContact O-N 2.85Å; E130-V132 PolarHBondContact O-N 2.75Å
131	Q	74.1	Confident	78.5	Confident	37 Å²	37	48.8 Å²	48.8	17%	0.173	24%	0.242	C	C	.	.			trans	-90.6	9.3	-174.5	-57	-63.9	-67	0	0	114	F101 M126 K129 A133 H134 I135	F101-Q131 HydrophobicContact CE1-CG 3.76Å; F101-Q131 HydrophobicContact CZ-CG 3.92Å; M126-Q131 HydrophobicContact CE-CB 3.95Å; M126-Q131 HydrophobicContact CE-CG 4.18Å; M126-Q131 PolarHBondContact O-N 3.17Å; M126-Q131 HydrophobicContact SD-CB 3.92Å; K129-Q131 VanDerWaalsContact C-N 3.27Å; K129-Q131 HydrophobicContact CB-CG 3.9Å; K129-Q131 WeakPolarHBondContact O-CG 3.18Å; K129-Q131 PolarHBondContact O-N 2.77Å; K129-Q131 PolarHBondContact O-NE2 3.38Å; Q131-A133 VanDerWaalsContact C-N 3.28Å; Q131-A133 PolarHBondContact O-N 3.47Å; Q131-H134 VanDerWaalsContact O-CB 3.32Å; Q131-H134 WeakPolarHBondContact O-CB 3.23Å; Q131-H134 PolarHBondContact O-N 3.44Å; Q131-H134 VanDerWaalsContact O-N 3.12Å; Q131-H134 PolarHBondContact OE1-CE1 3.1Å; Q131-H134 PolarHBondContact OE1-ND1 3.05Å; Q131-I135 WeakPolarHBondContact O-CG1 3.21Å; Q131-I135 PolarHBondContact O-N 2.86Å
132	V	75.8	Confident	78.2	Confident	26 Å²	26	48.5 Å²	48.5	16%	0.158	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-37	-175.7	179.3	0	0	0	0	112.3	L127 E130 H134 I135 R136 V436 F437	L127-V132 HydrophobicContact CD2-CG2 3.99Å; E130-V132 PolarHBondContact O-N 2.75Å; V132-H134 VanDerWaalsContact C-N 3.32Å; V132-H134 PolarHBondContact O-N 2.86Å; V132-I135 PolarHBondContact O-N 2.86Å; V132-R136 WeakPolarHBondContact O-CG 3.48Å; V132-R136 PolarHBondContact O-N 3.14Å; V132-V436 HydrophobicContact CG1-CB 4.19Å; V132-V436 HydrophobicContact CG1-CG2 4.27Å; V132-V436 HydrophobicContact CG2-CG2 4.28Å; V132-F437 HydrophobicContact CG1-CE1 4.24Å; V132-F437 HydrophobicContact CG2-CE1 4.05Å; V132-F437 HydrophobicContact CG2-CZ 4.13Å
133	A	73.1	Confident	77.9	Confident	67 Å²	67	45.4 Å²	45.4	55%	0.554	23%	0.234	S	C	*	.	H	α-helix	trans	-64.1	-39.4	177.1	0	0	0	0	0	112	Q131 R136 A137	Q131-A133 VanDerWaalsContact C-N 3.28Å; Q131-A133 PolarHBondContact O-N 3.47Å; A133-R136 PolarHBondContact O-N 2.82Å; A133-A137 PolarHBondContact O-N 3.34Å
134	H	74.3	Confident	77.3	Confident	37 Å²	37	50.7 Å²	50.7	17%	0.171	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-45.1	178.1	-70	164.1	0	0	0	112.2	Q131 V132 R136 A137 E138 G233	Q131-H134 VanDerWaalsContact O-CB 3.32Å; Q131-H134 WeakPolarHBondContact O-CB 3.23Å; Q131-H134 PolarHBondContact O-N 3.44Å; Q131-H134 VanDerWaalsContact O-N 3.12Å; Q131-H134 PolarHBondContact OE1-CE1 3.1Å; Q131-H134 PolarHBondContact OE1-ND1 3.05Å; V132-H134 VanDerWaalsContact C-N 3.32Å; V132-H134 PolarHBondContact O-N 2.86Å; H134-R136 VanDerWaalsContact C-N 3.33Å; H134-R136 PolarHBondContact O-N 3.28Å; H134-A137 PolarHBondContact O-N 2.99Å; H134-E138 PolarHBondContact O-N 2.89Å; H134-G233 CarbonylContact C-O 3.59Å; H134-G233 WeakPolarHBondContact CA-O 3.19Å; H134-G233 WeakPolarHBondContact CB-O 3.45Å; H134-G233 PolarHBondContact CD2-O 2.91Å; H134-G233 VanDerWaalsContact CD2-O 3.28Å
135	I	76.3	Confident	76.8	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.4	-59.5	161.8	0	0	0	111.9	L121 M126 Q131 V132 E138 R139 L163 F437 Y440	L121-I135 HydrophobicContact CD1-CG1 4.38Å; M126-I135 HydrophobicContact CB-CD1 3.66Å; M126-I135 HydrophobicContact CG-CD1 3.33Å; M126-I135 HydrophobicContact CG-CG1 4.34Å; M126-I135 HydrophobicContact SD-CD1 3.19Å; M126-I135 WeakPolarHBondContact SD-CD1 3.16Å; M126-I135 HydrophobicContact SD-CG1 3.56Å; M126-I135 VanDerWaalsContact SD-CG1 3.56Å; Q131-I135 WeakPolarHBondContact O-CG1 3.21Å; Q131-I135 PolarHBondContact O-N 2.86Å; V132-I135 PolarHBondContact O-N 2.86Å; I135-E138 PolarHBondContact O-N 3.37Å; I135-R139 WeakPolarHBondContact O-CB 3.37Å; I135-R139 PolarHBondContact O-N 3.48Å; I135-L163 HydrophobicContact CD1-CD1 3.73Å; I135-L163 HydrophobicContact CG2-CD1 3.9Å; I135-F437 HydrophobicContact CD1-CE1 4.05Å; I135-Y440 HydrophobicContact CG2-CD2 4.17Å; I135-Y440 HydrophobicContact CG2-CE2 3.52Å
136	R	77.8	Confident	76.5	Confident	108 Å²	108	52.5 Å²	52.5	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-45.9	179.1	-73.6	177.9	178.2	-167.5	-0.7	110.3	V132 A133 H134 R139 D140 V436	V132-R136 WeakPolarHBondContact O-CG 3.48Å; V132-R136 PolarHBondContact O-N 3.14Å; A133-R136 PolarHBondContact O-N 2.82Å; H134-R136 VanDerWaalsContact C-N 3.33Å; H134-R136 PolarHBondContact O-N 3.28Å; R136-R139 PolarHBondContact O-N 3.29Å; R136-D140 WeakPolarHBondContact O-CB 3.35Å; R136-D140 PolarHBondContact O-N 3.18Å; R136-V436 PolarHBondContact NE-O 3.25Å; R136-V436 PolarHBondContact NH2-O 2.96Å
137	A	73.7	Confident	76.7	Confident	16 Å²	16	53.7 Å²	53.7	13%	0.132	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-43.4	177.2	0	0	0	0	0	112.4	A133 H134 R139 D140 I141 C235	A133-A137 PolarHBondContact O-N 3.34Å; H134-A137 PolarHBondContact O-N 2.99Å; A137-R139 PolarHBondContact O-N 3.42Å; A137-D140 PolarHBondContact O-N 2.99Å; A137-I141 WeakPolarHBondContact O-CG1 3.48Å; A137-I141 PolarHBondContact O-N 3.28Å; A137-C235 WeakPolarHBondContact CB-O 3.41Å
138	E	80.6	Confident	77.2	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-48.8	175.7	-178.1	176.7	-166.6	0	0	111.3	K119 H134 I135 L142 F232	K119-E138 IonicContact NZ-OE1 3.99Å; K119-E138 PolarHBondContact NZ-OE1 3.5Å; K119-E138 IonicContact NZ-OE2 3.22Å; K119-E138 PolarHBondContact NZ-OE2 3.07Å; H134-E138 PolarHBondContact O-N 2.89Å; I135-E138 PolarHBondContact O-N 3.37Å; E138-L142 HydrophobicContact CG-CD1 3.88Å; E138-L142 WeakPolarHBondContact O-CB 3.47Å; E138-L142 WeakPolarHBondContact O-CG 3.3Å; E138-L142 PolarHBondContact O-N 2.91Å; E138-F232 HydrophobicContact CB-CB 4.3Å; E138-F232 HydrophobicContact CG-CB 4.18Å
139	R	81.1	Confident	78.1	Confident	31 Å²	31	48.9 Å²	48.9	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-49	176.9	-176.2	-158.3	65.5	-164.2	-8.9	111.2	I135 R136 A137 I141 L142 V143 M153 N439	I135-R139 WeakPolarHBondContact O-CB 3.37Å; I135-R139 PolarHBondContact O-N 3.48Å; R136-R139 PolarHBondContact O-N 3.29Å; A137-R139 PolarHBondContact O-N 3.42Å; R139-I141 PolarHBondContact O-N 3.41Å; R139-L142 CarbonylContact O-C 3.55Å; R139-L142 PolarHBondContact O-N 2.97Å; R139-V143 HydrophobicContact CG-CG2 4.3Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.49Å; R139-V143 PolarHBondContact O-N 3.38Å; R139-M153 HydrophobicContact CG-CE 4.35Å; R139-N439 PolarHBondContact NH1-O 3.29Å
140	D	79.6	Confident	79.1	Confident	58 Å²	58	45.2 Å²	45.2	31%	0.31	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-43.2	-173.2	-66.6	-12.8	0	0	0	110.9	R136 A137 L142 V143 E144	R136-D140 WeakPolarHBondContact O-CB 3.35Å; R136-D140 PolarHBondContact O-N 3.18Å; A137-D140 PolarHBondContact O-N 2.99Å; D140-L142 PolarHBondContact O-N 3.46Å; D140-V143 PolarHBondContact O-N 3.21Å; D140-E144 WeakPolarHBondContact O-CB 3.41Å; D140-E144 WeakPolarHBondContact O-CG 3.36Å; D140-E144 PolarHBondContact O-N 2.84Å
141	I	80	Confident	80	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-47.5	172.8	-68.6	165.6	0	0	0	110.7	A137 R139 V143 E144 A145 F209 F232 C235	A137-I141 WeakPolarHBondContact O-CG1 3.48Å; A137-I141 PolarHBondContact O-N 3.28Å; R139-I141 PolarHBondContact O-N 3.41Å; I141-V143 PolarHBondContact O-N 2.96Å; I141-E144 PolarHBondContact O-N 3.49Å; I141-A145 HydrophobicContact CG2-CB 4.42Å; I141-A145 WeakPolarHBondContact O-CA 3.18Å; I141-A145 WeakPolarHBondContact O-CB 3.45Å; I141-A145 PolarHBondContact O-N 2.88Å; I141-F209 HydrophobicContact CD1-CB 4.01Å; I141-F209 HydrophobicContact CD1-CD1 3.52Å; I141-F209 HydrophobicContact CD1-CD2 4.42Å; I141-F209 HydrophobicContact CD1-CE1 4.05Å; I141-F209 HydrophobicContact CD1-CG 3.73Å; I141-F209 HydrophobicContact CG1-CB 4.32Å; I141-F209 HydrophobicContact CG1-CD1 3.38Å; I141-F209 HydrophobicContact CG1-CD2 3.81Å; I141-F209 HydrophobicContact CG1-CE1 3.45Å; I141-F209 VanDerWaalsContact CG1-CE1 3.45Å; I141-F209 HydrophobicContact CG1-CE2 3.89Å; I141-F209 HydrophobicContact CG1-CG 3.56Å; I141-F209 HydrophobicContact CG1-CZ 3.71Å; I141-F232 HydrophobicContact CB-CB 4.39Å; I141-F232 HydrophobicContact CB-CG 4.34Å; I141-F232 HydrophobicContact CD1-CB 3.92Å; I141-F232 HydrophobicContact CD1-CD1 4.25Å; I141-F232 HydrophobicContact CD1-CG 4.32Å; I141-F232 HydrophobicContact CG2-CB 4.39Å; I141-F232 HydrophobicContact CG2-CD1 3.79Å; I141-F232 HydrophobicContact CG2-CD2 4.14Å; I141-F232 HydrophobicContact CG2-CE1 4.09Å; I141-F232 HydrophobicContact CG2-CE2 4.43Å; I141-F232 HydrophobicContact CG2-CG 3.83Å; I141-F232 HydrophobicContact CG2-CZ 4.41Å; I141-C235 HydrophobicContact CD1-CB 3.19Å
142	L	82.9	Confident	80.8	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-20	179.8	-72.5	174.5	0	0	0	113.3	E138 R139 D140 V150 V151 M153 L165 M167 F232 R444	E138-L142 HydrophobicContact CG-CD1 3.88Å; E138-L142 WeakPolarHBondContact O-CB 3.47Å; E138-L142 WeakPolarHBondContact O-CG 3.3Å; E138-L142 PolarHBondContact O-N 2.91Å; R139-L142 CarbonylContact O-C 3.55Å; R139-L142 PolarHBondContact O-N 2.97Å; D140-L142 PolarHBondContact O-N 3.46Å; L142-V150 HydrophobicContact CD2-CG1 4.03Å; L142-V151 WeakPolarHBondContact CD2-O 3.2Å; L142-M153 HydrophobicContact CB-CB 3.75Å; L142-M153 HydrophobicContact CB-CE 4.08Å; L142-M153 HydrophobicContact CB-CG 4.5Å; L142-M153 HydrophobicContact CB-SD 4.09Å; L142-M153 HydrophobicContact CD1-CB 4.32Å; L142-M153 HydrophobicContact CD1-SD 4.4Å; L142-M153 HydrophobicContact CG-CB 4.45Å; L142-L165 HydrophobicContact CD1-CD2 4.04Å; L142-M167 HydrophobicContact CD1-SD 4.3Å; L142-F232 HydrophobicContact CD2-CD2 3.86Å; L142-F232 HydrophobicContact CD2-CE2 3.75Å; L142-F232 HydrophobicContact CG-CD2 4.05Å; L142-F232 HydrophobicContact CG-CE2 4.43Å; L142-R444 PolarHBondContact O-NH2 3.33Å
143	V	79.6	Confident	81.5	Confident	44 Å²	44	37 Å²	37	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-80.7	-46.9	172.1	169.5	0	0	0	0	110.7	R139 D140 I141 M153 Y442	R139-V143 HydrophobicContact CG-CG2 4.3Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.49Å; R139-V143 PolarHBondContact O-N 3.38Å; D140-V143 PolarHBondContact O-N 3.21Å; I141-V143 PolarHBondContact O-N 2.96Å; V143-M153 HydrophobicContact CB-CE 4.35Å; V143-M153 HydrophobicContact CG2-CE 3.28Å; V143-Y442 HydrophobicContact CB-CE2 4.27Å; V143-Y442 HydrophobicContact CG1-CD2 4.11Å; V143-Y442 HydrophobicContact CG1-CE2 3.53Å; V143-Y442 HydrophobicContact CG2-CD1 3.95Å; V143-Y442 HydrophobicContact CG2-CD2 3.69Å; V143-Y442 HydrophobicContact CG2-CE1 4.03Å; V143-Y442 HydrophobicContact CG2-CE2 3.78Å; V143-Y442 HydrophobicContact CG2-CG 3.76Å
144	E	74.3	Confident	82.2	Confident	122 Å²	122	33.9 Å²	33.9	57%	0.57	17%	0.174	S	C	*	.	H	α-helix	trans	-79	-33.7	-173.9	-70.2	-178.1	-172.9	0	0	113	D140 I141 D146 F209	D140-E144 WeakPolarHBondContact O-CB 3.41Å; D140-E144 WeakPolarHBondContact O-CG 3.36Å; D140-E144 PolarHBondContact O-N 2.84Å; I141-E144 PolarHBondContact O-N 3.49Å; E144-D146 PolarHBondContact O-N 3.47Å; E144-F209 WeakPolarHBondContact OE2-CZ 3.49Å
145	A	72.8	Confident	82.9	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	17%	0.167	C	C	.	.			trans	-73.1	100.1	178	0	0	0	0	0	109.9	I141 S147 V150 L207	I141-A145 HydrophobicContact CG2-CB 4.42Å; I141-A145 WeakPolarHBondContact O-CA 3.18Å; I141-A145 WeakPolarHBondContact O-CB 3.45Å; I141-A145 PolarHBondContact O-N 2.88Å; A145-S147 VanDerWaalsContact C-N 3.35Å; A145-V150 HydrophobicContact CB-CB 4.05Å; A145-V150 HydrophobicContact CB-CG1 3.87Å; A145-V150 HydrophobicContact CB-CG2 4.16Å; A145-L207 HydrophobicContact CB-CD1 4.22Å
146	D	73.8	Confident	83.6	Confident	103 Å²	103	32.2 Å²	32.2	55%	0.551	17%	0.166	S	C	*	.			trans	-101.2	61.4	157.6	-165	37.6	0	0	0	109.2	E144 K152 R444	E144-D146 PolarHBondContact O-N 3.47Å; D146-K152 WeakPolarHBondContact OD1-CE 3.47Å; D146-K152 IonicContact OD1-NZ 2.93Å; D146-K152 PolarHBondContact OD1-NZ 3.05Å; D146-R444 IonicContact OD1-NH1 3.95Å; D146-R444 PolarHBondContact OD1-NH1 3.33Å
147	S	83	Confident	84.2	Confident	28 Å²	28	27.4 Å²	27.4	20%	0.196	15%	0.148	C	C	.	.			trans	-111.2	140.7	-179.3	176.5	0	0	0	0	109.9	A145 W149 V150 S203	A145-S147 VanDerWaalsContact C-N 3.35Å; S147-W149 PolarHBondContact O-N 3.36Å; S147-W149 VanDerWaalsContact O-N 3.11Å; S147-W149 WeakPolarHBondContact OG-CB 3.29Å; S147-W149 PolarHBondContact OG-N 3.36Å; S147-V150 PolarHBondContact O-N 3.34Å; S147-S203 PolarHBondContact OG-OG 2.8Å
148	A	89.9	Confident	85	Confident	51 Å²	51	29 Å²	29	42%	0.421	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.3	172.2	0	0	0	0	0	112.5	K228 R392	A148-K228 VanDerWaalsContact O-CE 3.23Å; A148-K228 WeakPolarHBondContact O-CE 3.26Å; A148-R392 VanDerWaalsContact O-CZ 3.23Å; A148-R392 PolarHBondContact O-NH1 3.37Å; A148-R392 PolarHBondContact O-NH2 3.45Å
149	W	93.8	Very high	85.3	Confident	36 Å²	36	31.9 Å²	31.9	14%	0.136	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-5	-175.6	-56.2	109.7	0	0	0	114.8	S147 E196 L199 A200 K228 L229 I391 R392	S147-W149 PolarHBondContact O-N 3.36Å; S147-W149 VanDerWaalsContact O-N 3.11Å; S147-W149 WeakPolarHBondContact OG-CB 3.29Å; S147-W149 PolarHBondContact OG-N 3.36Å; W149-E196 HydrophobicContact CH2-CB 4.35Å; W149-E196 HydrophobicContact CH2-CG 4.18Å; W149-E196 HydrophobicContact CZ3-CB 3.75Å; W149-E196 HydrophobicContact CZ3-CG 3.94Å; W149-L199 HydrophobicContact CD2-CB 4.2Å; W149-L199 HydrophobicContact CH2-CB 4.03Å; W149-L199 HydrophobicContact CH2-CD1 3.73Å; W149-L199 HydrophobicContact CZ2-CB 3.63Å; W149-L199 HydrophobicContact CZ2-CD1 3.47Å; W149-L199 VanDerWaalsContact CZ2-CD1 3.47Å; W149-L199 HydrophobicContact CZ2-CG 4.2Å; W149-L199 HydrophobicContact CZ3-CB 4.45Å; W149-A200 HydrophobicContact CB-CB 3.68Å; W149-A200 HydrophobicContact CD2-CB 4.25Å; W149-A200 HydrophobicContact CE3-CB 4.05Å; W149-A200 HydrophobicContact CG-CB 4.13Å; W149-K228 CarbonylContact O-C 3.6Å; W149-K228 WeakPolarHBondContact O-CA 3.5Å; W149-L229 PolarHBondContact O-N 2.94Å; W149-I391 HydrophobicContact CH2-CG2 4.17Å; W149-R392 HydrophobicContact CH2-CB 4.06Å; W149-R392 HydrophobicContact CH2-CG 4.28Å; W149-R392 HydrophobicContact CZ2-CB 4.42Å
150	V	92.4	Very high	85.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-119.8	141.3	-178	173.6	0	0	0	0	109.1	L142 A145 S147 K152 I204 F232	L142-V150 HydrophobicContact CD2-CG1 4.03Å; A145-V150 HydrophobicContact CB-CB 4.05Å; A145-V150 HydrophobicContact CB-CG1 3.87Å; A145-V150 HydrophobicContact CB-CG2 4.16Å; S147-V150 PolarHBondContact O-N 3.34Å; V150-K152 PolarHBondContact O-N 3.01Å; V150-I204 HydrophobicContact CG2-CG2 3.67Å; V150-F232 HydrophobicContact CB-CZ 4.2Å; V150-F232 HydrophobicContact CG1-CE2 3.51Å; V150-F232 HydrophobicContact CG1-CZ 3.45Å; V150-F232 VanDerWaalsContact CG1-CZ 3.45Å; V150-F232 HydrophobicContact CG2-CZ 3.91Å
151	V	92.1	Very high	85.8	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-56.4	128	172.9	172	0	0	0	0	110.1	L142 M153 M167 E168 L170 L220 K228 L229	L142-V151 WeakPolarHBondContact CD2-O 3.2Å; V151-M153 PolarHBondContact O-N 3.3Å; V151-M167 HydrophobicContact CG1-CB 3.82Å; V151-M167 HydrophobicContact CG1-CG 4.25Å; V151-M167 HydrophobicContact CG1-SD 4.1Å; V151-E168 HydrophobicContact CG1-CG 4.1Å; V151-L170 HydrophobicContact CG2-CD1 3.77Å; V151-L220 HydrophobicContact CG2-CD1 3.91Å; V151-K228 HydrophobicContact CG2-CB 4.28Å; V151-L229 VanDerWaalsContact CG2-O 3.32Å; V151-L229 WeakPolarHBondContact CG2-O 3.48Å; V151-L229 PolarHBondContact N-O 3.27Å
152	K	89.9	Confident	86.2	Confident	49 Å²	49	38.6 Å²	38.6	21%	0.213	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-78.6	121.7	-179.8	-165.6	159.2	-131.3	176.9	0	110.9	D146 V150 F154 M167 E168 E446	D146-K152 WeakPolarHBondContact OD1-CE 3.47Å; D146-K152 IonicContact OD1-NZ 2.93Å; D146-K152 PolarHBondContact OD1-NZ 3.05Å; V150-K152 PolarHBondContact O-N 3.01Å; K152-F154 HydrophobicContact CB-CZ 4.41Å; K152-F154 HydrophobicContact CD-CE1 4.24Å; K152-F154 HydrophobicContact CD-CZ 4.16Å; K152-F154 HydrophobicContact CG-CE1 4.26Å; K152-F154 HydrophobicContact CG-CZ 4.05Å; K152-M167 CarbonylContact O-C 3.54Å; K152-M167 VanDerWaalsContact O-CA 3.3Å; K152-M167 WeakPolarHBondContact O-CA 3.1Å; K152-E168 HydrophobicContact CB-CG 4.14Å; K152-E168 VanDerWaalsContact CB-OE1 3.25Å; K152-E168 WeakPolarHBondContact CB-OE1 3.43Å; K152-E168 PolarHBondContact N-OE1 2.67Å; K152-E168 PolarHBondContact O-N 3.41Å; K152-E446 WeakPolarHBondContact CE-OE2 3.09Å; K152-E446 IonicContact NZ-OE2 3.01Å; K152-E446 PolarHBondContact NZ-OE2 3.08Å
153	M	89.7	Confident	86.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.6	171	-176.9	-169.4	62.6	0	0	111.4	R139 L142 V143 V151 L165 M167 Y442 R444	R139-M153 HydrophobicContact CG-CE 4.35Å; L142-M153 HydrophobicContact CB-CB 3.75Å; L142-M153 HydrophobicContact CB-CE 4.08Å; L142-M153 HydrophobicContact CB-CG 4.5Å; L142-M153 HydrophobicContact CB-SD 4.09Å; L142-M153 HydrophobicContact CD1-CB 4.32Å; L142-M153 HydrophobicContact CD1-SD 4.4Å; L142-M153 HydrophobicContact CG-CB 4.45Å; V143-M153 HydrophobicContact CB-CE 4.35Å; V143-M153 HydrophobicContact CG2-CE 3.28Å; V151-M153 PolarHBondContact O-N 3.3Å; M153-L165 HydrophobicContact SD-CD2 3.83Å; M153-M167 HydrophobicContact CB-CG 4.37Å; M153-M167 HydrophobicContact CG-CG 4.43Å; M153-Y442 HydrophobicContact CE-CD1 3.43Å; M153-Y442 VanDerWaalsContact CE-CD1 3.43Å; M153-Y442 HydrophobicContact CE-CE1 3.79Å; M153-Y442 HydrophobicContact CE-CG 4.13Å; M153-R444 PolarHBondContact O-NE 3.16Å; M153-R444 PolarHBondContact O-NH2 2.84Å
154	F	88.9	Confident	87.2	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-46	178.7	-65.1	-76	0	0	0	113.1	Y116 K152 I166 E168 R444	Y116-F154 AromaticContact CD1-CD2 3.69Å; Y116-F154 HydrophobicContact CD1-CD2 3.69Å; Y116-F154 HydrophobicContact CD1-CE2 4.12Å; Y116-F154 HydrophobicContact CD1-CG 4.47Å; Y116-F154 HydrophobicContact CE1-CB 4.46Å; Y116-F154 AromaticContact CE1-CD2 3.51Å; Y116-F154 HydrophobicContact CE1-CD2 3.51Å; Y116-F154 AromaticContact CE1-CE2 3.88Å; Y116-F154 HydrophobicContact CE1-CE2 3.88Å; Y116-F154 AromaticContact CE1-CG 3.96Å; Y116-F154 HydrophobicContact CE1-CG 3.96Å; K152-F154 HydrophobicContact CB-CZ 4.41Å; K152-F154 HydrophobicContact CD-CE1 4.24Å; K152-F154 HydrophobicContact CD-CZ 4.16Å; K152-F154 HydrophobicContact CG-CE1 4.26Å; K152-F154 HydrophobicContact CG-CZ 4.05Å; F154-I166 PolarHBondContact N-O 3.08Å; F154-E168 HydrophobicContact CE2-CB 3.87Å; F154-E168 HydrophobicContact CZ-CB 4.49Å; F154-R444 WeakPolarHBondContact O-CB 3.25Å; F154-R444 PolarHBondContact O-N 2.99Å
155	Y	89.8	Confident	88	Confident	8 Å²	8	30.7 Å²	30.7	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.5	-174.8	-39.8	-66.6	0	0	0	110.1	L80 L85 F90 I166 Y442 K443	L80-Y155 HydrophobicContact CD2-CE1 4.34Å; L85-Y155 HydrophobicContact CD1-CD1 3.72Å; L85-Y155 HydrophobicContact CD1-CD2 4.46Å; L85-Y155 HydrophobicContact CD1-CE1 4.19Å; L85-Y155 HydrophobicContact CD1-CG 3.9Å; F90-Y155 HydrophobicContact CZ-CD2 4.06Å; F90-Y155 HydrophobicContact CZ-CE2 4.4Å; Y155-I166 HydrophobicContact CD2-CB 3.73Å; Y155-I166 HydrophobicContact CD2-CG1 4.05Å; Y155-I166 HydrophobicContact CD2-CG2 3.7Å; Y155-I166 HydrophobicContact CE2-CG2 4.29Å; Y155-I166 HydrophobicContact CG-CB 4.33Å; Y155-I166 PolarHBondContact N-O 3.44Å; Y155-I166 PolarHBondContact O-N 3.31Å; Y155-Y442 VanDerWaalsContact CA-O 3.32Å; Y155-Y442 WeakPolarHBondContact CA-O 3.49Å; Y155-K443 HydrophobicContact CD1-CB 4.26Å; Y155-K443 HydrophobicContact CD1-CG 4.29Å
156	S	90.9	Very high	89	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145	159.5	58.1	0	0	0	0	109.1	Y164 Y440 T441 Y442	S156-Y164 CarbonylContact C-O 3.57Å; S156-Y164 WeakPolarHBondContact CA-O 3.32Å; S156-Y164 WeakPolarHBondContact CB-O 3.44Å; S156-Y440 WeakPolarHBondContact CB-O 3.45Å; S156-Y440 PolarHBondContact OG-O 3.44Å; S156-T441 CarbonylContact O-C 3.55Å; S156-T441 VanDerWaalsContact O-CA 3.23Å; S156-T441 WeakPolarHBondContact O-CA 3.4Å; S156-T441 WeakPolarHBondContact O-CG2 3.29Å; S156-Y442 PolarHBondContact N-O 3.3Å; S156-Y442 PolarHBondContact O-N 3.27Å; S156-Y442 VanDerWaalsContact OG-CB 3.26Å; S156-Y442 WeakPolarHBondContact OG-CB 3.45Å; S156-Y442 PolarHBondContact OG-N 3.05Å
157	F	90.5	Very high	89.9	Confident	7 Å²	7	26.6 Å²	26.6	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	171.7	177.9	59.3	-91.8	0	0	0	109.9	L87 F90 Y164 I166 Y440	L87-F157 HydrophobicContact CB-CE2 4.5Å; F90-F157 HydrophobicContact CD2-CE1 4.33Å; F90-F157 HydrophobicContact CD2-CZ 4.21Å; F90-F157 AromaticContact CE2-CE1 3.76Å; F90-F157 HydrophobicContact CE2-CE1 3.76Å; F90-F157 HydrophobicContact CE2-CZ 4.1Å; F90-F157 HydrophobicContact CZ-CE1 4.49Å; F157-Y164 AromaticContact CD2-CD2 3.53Å; F157-Y164 HydrophobicContact CD2-CD2 3.53Å; F157-Y164 HydrophobicContact CD2-CE2 4.32Å; F157-Y164 AromaticContact CD2-CG 3.83Å; F157-Y164 HydrophobicContact CD2-CG 3.83Å; F157-Y164 AromaticContact CE2-CD1 3.96Å; F157-Y164 HydrophobicContact CE2-CD1 3.96Å; F157-Y164 AromaticContact CE2-CD2 3.38Å; F157-Y164 HydrophobicContact CE2-CD2 3.38Å; F157-Y164 HydrophobicContact CE2-CE2 4.03Å; F157-Y164 AromaticContact CE2-CG 3.34Å; F157-Y164 HydrophobicContact CE2-CG 3.34Å; F157-Y164 HydrophobicContact CG-CD2 4.5Å; F157-Y164 HydrophobicContact CZ-CD1 4.17Å; F157-Y164 HydrophobicContact CZ-CD2 4.27Å; F157-Y164 AromaticContact CZ-CG 3.77Å; F157-Y164 HydrophobicContact CZ-CG 3.77Å; F157-Y164 PolarHBondContact N-O 2.95Å; F157-Y164 WeakPolarHBondContact O-CB 3.39Å; F157-Y164 PolarHBondContact O-N 2.94Å; F157-I166 HydrophobicContact CD1-CG1 4.45Å; F157-I166 HydrophobicContact CE1-CD1 3.91Å; F157-I166 HydrophobicContact CE1-CG1 3.74Å; F157-I166 HydrophobicContact CZ-CD1 4.36Å; F157-Y440 WeakPolarHBondContact O-CD1 3.2Å; F157-Y440 WeakPolarHBondContact O-CE1 3.27Å
158	Q	89.7	Confident	90.4	Very high	50 Å²	50	27.2 Å²	27.2	23%	0.234	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.4	-178.3	64.9	-176.7	-64.1	0	0	110.5	K123 N162 L163 F437 Y440	K123-Q158 VanDerWaalsContact CE-OE1 3.26Å; Q158-N162 WeakPolarHBondContact CA-O 3.5Å; Q158-L163 HydrophobicContact CB-CD2 3.63Å; Q158-F437 PolarHBondContact NE2-O 2.83Å; Q158-Y440 HydrophobicContact CB-CD1 4.18Å
159	D	87.5	Confident	90.6	Very high	67 Å²	67	25.9 Å²	25.9	36%	0.358	12%	0.116	S	C	.	.			trans	-119.9	-157.3	165.7	71.7	14.2	0	0	0	110.2	K123 R161 N162 Y164	K123-D159 WeakPolarHBondContact CE-O 3.47Å; K123-D159 PolarHBondContact NZ-O 3.25Å; D159-R161 VanDerWaalsContact C-N 3.33Å; D159-R161 WeakPolarHBondContact OD1-CA 3.43Å; D159-R161 PolarHBondContact OD1-N 3.27Å; D159-N162 PolarHBondContact N-O 3.18Å; D159-N162 PolarHBondContact OD1-N 3.25Å; D159-Y164 HydrophobicContact CB-CE2 4.29Å; D159-Y164 PolarHBondContact OD2-OH 3.11Å
160	K	84.5	Confident	90.7	Very high	172 Å²	172	24.7 Å²	24.7	75%	0.748	11%	0.113	S	C	*	.	S	Bend	trans	-69.7	-29.1	179	-66.4	-176.8	-179.9	176.8	0	113.1
161	R	85.3	Confident	90.8	Very high	50 Å²	50	25.1 Å²	25.1	19%	0.189	12%	0.115	C	C	.	.	S	Bend	trans	-107.4	-38	-171	-74.7	-179.2	154	-170.4	-8.8	113	K123 D159 Q421 P422 A423 E427	K123-R161 VanDerWaalsContact CB-O 3.29Å; K123-R161 WeakPolarHBondContact CB-O 3.33Å; K123-R161 WeakPolarHBondContact CG-O 3.37Å; K123-R161 PolarHBondContact N-O 3.48Å; D159-R161 VanDerWaalsContact C-N 3.33Å; D159-R161 WeakPolarHBondContact OD1-CA 3.43Å; D159-R161 PolarHBondContact OD1-N 3.27Å; R161-Q421 PolarHBondContact NH1-O 3.01Å; R161-P422 PolarHBondContact NH1-O 3.19Å; R161-P422 VanDerWaalsContact NH1-O 3.12Å; R161-A423 VanDerWaalsContact NE-CB 3.26Å; R161-E427 IonicContact CZ-OE1 3.53Å; R161-E427 IonicContact CZ-OE2 3.4Å; R161-E427 IonicContact NE-OE1 2.74Å; R161-E427 IonicContact NE-OE2 3.09Å; R161-E427 PolarHBondContact NE-OE2 3.32Å; R161-E427 IonicContact NH2-OE1 3.83Å; R161-E427 PolarHBondContact NH2-OE1 3.25Å; R161-E427 IonicContact NH2-OE2 2.93Å; R161-E427 PolarHBondContact NH2-OE2 3.39Å
162	N	89.1	Confident	91	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.043	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.7	-161.5	-63	-42.2	0	0	0	111.8	I120 L121 Q158 D159 Y164 I419	I120-N162 HydrophobicContact CG2-CB 3.97Å; L121-N162 CarbonylContact O-C 3.11Å; L121-N162 VanDerWaalsContact O-CA 3.27Å; L121-N162 WeakPolarHBondContact O-CA 3.43Å; Q158-N162 WeakPolarHBondContact CA-O 3.5Å; D159-N162 PolarHBondContact N-O 3.18Å; D159-N162 PolarHBondContact OD1-N 3.25Å; N162-Y164 HydrophobicContact CB-CD2 4.38Å; N162-Y164 HydrophobicContact CB-CE1 4.27Å; N162-Y164 HydrophobicContact CB-CE2 3.58Å; N162-Y164 WeakPolarHBondContact CB-OH 3.44Å; N162-Y164 PolarHBondContact ND2-OH 3.22Å; N162-I419 PolarHBondContact ND2-O 3.31Å
163	L	90.3	Very high	91.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.4	165.1	-55.3	178.5	0	0	0	108.4	I120 L121 K123 I135 Q158 F437 Y440	I120-L163 WeakPolarHBondContact CA-O 3.37Å; L121-L163 HydrophobicContact CB-CB 4.29Å; L121-L163 PolarHBondContact N-O 3.05Å; L121-L163 PolarHBondContact O-N 3.32Å; K123-L163 HydrophobicContact CD-CD2 4.42Å; K123-L163 HydrophobicContact CG-CD2 4.06Å; K123-L163 HydrophobicContact CG-CG 3.98Å; I135-L163 HydrophobicContact CD1-CD1 3.73Å; I135-L163 HydrophobicContact CG2-CD1 3.9Å; Q158-L163 HydrophobicContact CB-CD2 3.63Å; L163-F437 HydrophobicContact CD1-CD1 3.68Å; L163-F437 HydrophobicContact CD1-CE1 3.67Å; L163-F437 HydrophobicContact CD1-CG 4.48Å; L163-F437 HydrophobicContact CD1-CZ 4.44Å; L163-F437 HydrophobicContact CD2-CB 4.21Å; L163-F437 HydrophobicContact CD2-CD1 4.02Å; L163-F437 HydrophobicContact CD2-CG 4.03Å; L163-F437 HydrophobicContact CG-CD1 4.42Å; L163-Y440 HydrophobicContact CB-CD1 4.44Å; L163-Y440 HydrophobicContact CB-CE1 3.74Å; L163-Y440 HydrophobicContact CB-CE2 4.25Å; L163-Y440 HydrophobicContact CD1-CD2 4.38Å; L163-Y440 HydrophobicContact CD1-CE2 4.07Å; L163-Y440 HydrophobicContact CD2-CD1 3.99Å; L163-Y440 HydrophobicContact CD2-CD2 4.4Å; L163-Y440 HydrophobicContact CD2-CE1 4.15Å; L163-Y440 HydrophobicContact CD2-CG 4.1Å; L163-Y440 HydrophobicContact CG-CE1 4.44Å
164	Y	92.3	Very high	91.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.6	-175.3	-58	-92.4	0	0	0	110.2	L87 M118 K119 I120 S156 F157 D159 N162 L420 Y440	L87-Y164 HydrophobicContact CD1-CD1 4.47Å; L87-Y164 HydrophobicContact CD1-CE1 3.89Å; M118-Y164 HydrophobicContact CG-CD1 4.28Å; M118-Y164 HydrophobicContact SD-CD1 3.89Å; M118-Y164 HydrophobicContact SD-CE1 4.49Å; K119-Y164 WeakPolarHBondContact O-CA 3.38Å; I120-Y164 HydrophobicContact CG1-CD1 4.04Å; I120-Y164 HydrophobicContact CG1-CE1 4.12Å; I120-Y164 HydrophobicContact CG2-CD1 4.26Å; I120-Y164 HydrophobicContact CG2-CE1 3.88Å; S156-Y164 CarbonylContact C-O 3.57Å; S156-Y164 WeakPolarHBondContact CA-O 3.32Å; S156-Y164 WeakPolarHBondContact CB-O 3.44Å; F157-Y164 AromaticContact CD2-CD2 3.53Å; F157-Y164 HydrophobicContact CD2-CD2 3.53Å; F157-Y164 HydrophobicContact CD2-CE2 4.32Å; F157-Y164 AromaticContact CD2-CG 3.83Å; F157-Y164 HydrophobicContact CD2-CG 3.83Å; F157-Y164 AromaticContact CE2-CD1 3.96Å; F157-Y164 HydrophobicContact CE2-CD1 3.96Å; F157-Y164 AromaticContact CE2-CD2 3.38Å; F157-Y164 HydrophobicContact CE2-CD2 3.38Å; F157-Y164 HydrophobicContact CE2-CE2 4.03Å; F157-Y164 AromaticContact CE2-CG 3.34Å; F157-Y164 HydrophobicContact CE2-CG 3.34Å; F157-Y164 HydrophobicContact CG-CD2 4.5Å; F157-Y164 HydrophobicContact CZ-CD1 4.17Å; F157-Y164 HydrophobicContact CZ-CD2 4.27Å; F157-Y164 AromaticContact CZ-CG 3.77Å; F157-Y164 HydrophobicContact CZ-CG 3.77Å; F157-Y164 PolarHBondContact N-O 2.95Å; F157-Y164 WeakPolarHBondContact O-CB 3.39Å; F157-Y164 PolarHBondContact O-N 2.94Å; D159-Y164 HydrophobicContact CB-CE2 4.29Å; D159-Y164 PolarHBondContact OD2-OH 3.11Å; N162-Y164 HydrophobicContact CB-CD2 4.38Å; N162-Y164 HydrophobicContact CB-CE1 4.27Å; N162-Y164 HydrophobicContact CB-CE2 3.58Å; N162-Y164 WeakPolarHBondContact CB-OH 3.44Å; N162-Y164 PolarHBondContact ND2-OH 3.22Å; Y164-L420 HydrophobicContact CE1-CD2 4.29Å; Y164-Y440 WeakPolarHBondContact O-CE1 3.27Å
165	L	92.1	Very high	91.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.1	166.7	-56.4	103.5	0	0	0	109.3	M118 K119 L121 L142 M153 M167 Y440	M118-L165 CarbonylContact C-O 3.54Å; M118-L165 VanDerWaalsContact CA-O 3.32Å; M118-L165 WeakPolarHBondContact CA-O 3.44Å; K119-L165 HydrophobicContact CB-CB 4.33Å; K119-L165 HydrophobicContact CB-CD1 4.22Å; K119-L165 HydrophobicContact CD-CD1 4.34Å; K119-L165 HydrophobicContact CG-CD1 4.31Å; K119-L165 PolarHBondContact N-O 3.28Å; K119-L165 PolarHBondContact O-N 2.92Å; L121-L165 HydrophobicContact CD1-CD1 3.93Å; L142-L165 HydrophobicContact CD1-CD2 4.04Å; M153-L165 HydrophobicContact SD-CD2 3.83Å; L165-M167 HydrophobicContact CB-CG 4.44Å; L165-Y440 WeakPolarHBondContact CD1-OH 3.08Å; L165-Y440 WeakPolarHBondContact CG-OH 3.41Å
166	I	93.3	Very high	91.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.3	175.1	-50.9	-61.1	0	0	0	108.5	F90 Y116 M118 F154 Y155 F157	F90-I166 HydrophobicContact CD1-CD1 4.5Å; F90-I166 HydrophobicContact CE1-CD1 4.18Å; F90-I166 HydrophobicContact CE1-CG1 4.29Å; F90-I166 HydrophobicContact CE1-CG2 4.11Å; F90-I166 HydrophobicContact CE2-CD1 4.34Å; F90-I166 HydrophobicContact CE2-CG1 4.38Å; F90-I166 HydrophobicContact CZ-CD1 4.1Å; F90-I166 HydrophobicContact CZ-CG1 3.92Å; F90-I166 HydrophobicContact CZ-CG2 4.39Å; Y116-I166 HydrophobicContact CD1-CG2 3.72Å; Y116-I166 HydrophobicContact CD2-CG2 4.18Å; Y116-I166 HydrophobicContact CE1-CG2 4.49Å; Y116-I166 HydrophobicContact CG-CG2 3.54Å; M118-I166 HydrophobicContact CB-CD1 3.81Å; M118-I166 HydrophobicContact CG-CD1 3.61Å; M118-I166 HydrophobicContact SD-CD1 3.82Å; F154-I166 PolarHBondContact N-O 3.08Å; Y155-I166 HydrophobicContact CD2-CB 3.73Å; Y155-I166 HydrophobicContact CD2-CG1 4.05Å; Y155-I166 HydrophobicContact CD2-CG2 3.7Å; Y155-I166 HydrophobicContact CE2-CG2 4.29Å; Y155-I166 HydrophobicContact CG-CB 4.33Å; Y155-I166 PolarHBondContact N-O 3.44Å; Y155-I166 PolarHBondContact O-N 3.31Å; F157-I166 HydrophobicContact CD1-CG1 4.45Å; F157-I166 HydrophobicContact CE1-CD1 3.91Å; F157-I166 HydrophobicContact CE1-CG1 3.74Å; F157-I166 HydrophobicContact CZ-CD1 4.36Å
167	M	92.9	Very high	91.8	Very high	21 Å²	21	24.6 Å²	24.6	10%	0.103	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.9	-172.2	-59.5	175.6	-63.4	0	0	110.6	Y116 A117 K119 L142 V151 K152 M153 L165	Y116-M167 WeakPolarHBondContact CA-O 3.48Å; Y116-M167 WeakPolarHBondContact CB-O 3.22Å; A117-M167 PolarHBondContact N-O 2.89Å; A117-M167 PolarHBondContact O-N 3.12Å; K119-M167 HydrophobicContact CB-CE 3.73Å; K119-M167 HydrophobicContact CD-CE 4.41Å; L142-M167 HydrophobicContact CD1-SD 4.3Å; V151-M167 HydrophobicContact CG1-CB 3.82Å; V151-M167 HydrophobicContact CG1-CG 4.25Å; V151-M167 HydrophobicContact CG1-SD 4.1Å; K152-M167 CarbonylContact O-C 3.54Å; K152-M167 VanDerWaalsContact O-CA 3.3Å; K152-M167 WeakPolarHBondContact O-CA 3.1Å; M153-M167 HydrophobicContact CB-CG 4.37Å; M153-M167 HydrophobicContact CG-CG 4.43Å; L165-M167 HydrophobicContact CB-CG 4.44Å
168	E	92.6	Very high	91.9	Very high	41 Å²	41	25.2 Å²	25.2	19%	0.192	12%	0.121	C	C	.	.			trans	-58.7	138.9	167.9	65.7	-176.3	140	0	0	110.5	V151 K152 F154 L170 K228	V151-E168 HydrophobicContact CG1-CG 4.1Å; K152-E168 HydrophobicContact CB-CG 4.14Å; K152-E168 VanDerWaalsContact CB-OE1 3.25Å; K152-E168 WeakPolarHBondContact CB-OE1 3.43Å; K152-E168 PolarHBondContact N-OE1 2.67Å; K152-E168 PolarHBondContact O-N 3.41Å; F154-E168 HydrophobicContact CE2-CB 3.87Å; F154-E168 HydrophobicContact CZ-CB 4.49Å; E168-L170 HydrophobicContact CG-CD2 3.92Å; E168-L170 HydrophobicContact CG-CG 4.3Å; E168-K228 IonicContact OE1-NZ 3.76Å; E168-K228 PolarHBondContact OE1-NZ 2.8Å; E168-K228 IonicContact OE2-NZ 3.61Å; E168-K228 PolarHBondContact OE2-NZ 3.02Å
169	F	95.1	Very high	92.1	Very high	22 Å²	22	23.4 Å²	23.4	10%	0.096	11%	0.113	C	C	.	.			trans	-83.3	126.9	172	173.7	-123.1	0	0	0	109.5	I96 L106 I115 P171 I405 D407 T408 F411	I96-F169 HydrophobicContact CD1-CD2 3.97Å; I96-F169 HydrophobicContact CD1-CE2 3.85Å; L106-F169 HydrophobicContact CD1-CB 4.07Å; L106-F169 HydrophobicContact CD1-CD1 3.58Å; L106-F169 HydrophobicContact CD1-CD2 3.5Å; L106-F169 HydrophobicContact CD1-CE1 3.78Å; L106-F169 HydrophobicContact CD1-CE2 3.73Å; L106-F169 HydrophobicContact CD1-CG 3.42Å; L106-F169 VanDerWaalsContact CD1-CG 3.42Å; L106-F169 HydrophobicContact CD1-CZ 3.86Å; I115-F169 HydrophobicContact CG2-CB 4.12Å; I115-F169 HydrophobicContact CG2-CD1 3.94Å; I115-F169 HydrophobicContact CG2-CG 4.26Å; F169-P171 HydrophobicContact CD1-CB 4.33Å; F169-P171 HydrophobicContact CE1-CB 3.68Å; F169-P171 HydrophobicContact CZ-CB 4.01Å; F169-P171 WeakPolarHBondContact O-CD 3.48Å; F169-I405 WeakPolarHBondContact CD1-O 3.44Å; F169-D407 WeakPolarHBondContact CZ-O 3.43Å; F169-T408 HydrophobicContact CZ-CG2 4.24Å; F169-F411 HydrophobicContact CD2-CZ 4.45Å; F169-F411 HydrophobicContact CE2-CD2 4.41Å; F169-F411 AromaticContact CE2-CE2 3.47Å; F169-F411 HydrophobicContact CE2-CE2 3.47Å; F169-F411 VanDerWaalsContact CE2-CE2 3.47Å; F169-F411 AromaticContact CE2-CZ 3.54Å; F169-F411 HydrophobicContact CE2-CZ 3.54Å; F169-F411 HydrophobicContact CZ-CD2 4.45Å; F169-F411 AromaticContact CZ-CE2 3.64Å; F169-F411 HydrophobicContact CZ-CE2 3.64Å; F169-F411 HydrophobicContact CZ-CZ 4.18Å
170	L	95.8	Very high	92.1	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.063	10%	0.102	C	C	.	.			trans	-108.8	98.6	179.2	-62.9	-174.2	0	0	0	109.6	V151 E168 G172 G173 L220 L221 D222 K228 F411	V151-L170 HydrophobicContact CG2-CD1 3.77Å; E168-L170 HydrophobicContact CG-CD2 3.92Å; E168-L170 HydrophobicContact CG-CG 4.3Å; L170-G172 PolarHBondContact O-N 3.22Å; L170-G173 PolarHBondContact O-N 2.83Å; L170-L220 HydrophobicContact CB-CB 4.44Å; L170-L220 HydrophobicContact CD1-CB 3.55Å; L170-L220 HydrophobicContact CD1-CD1 3.98Å; L170-L220 HydrophobicContact CD1-CG 4.41Å; L170-L221 WeakPolarHBondContact CB-O 3.08Å; L170-D222 HydrophobicContact CD2-CB 3.95Å; L170-K228 HydrophobicContact CD1-CB 3.87Å; L170-K228 HydrophobicContact CD1-CD 3.92Å; L170-K228 HydrophobicContact CD1-CG 4.29Å; L170-K228 HydrophobicContact CD2-CD 4.15Å; L170-F411 VanDerWaalsContact O-CZ 3.29Å; L170-F411 WeakPolarHBondContact O-CZ 3.37Å
171	P	95.4	Very high	92.4	Very high	10 Å²	10	18.9 Å²	18.9	7%	0.065	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.4	-167.5	32.8	-38.9	0	0	0	114	F169 G173 I402 N410	F169-P171 HydrophobicContact CD1-CB 4.33Å; F169-P171 HydrophobicContact CE1-CB 3.68Å; F169-P171 HydrophobicContact CZ-CB 4.01Å; F169-P171 WeakPolarHBondContact O-CD 3.48Å; P171-G173 PolarHBondContact O-N 3.41Å; P171-I402 HydrophobicContact CB-CD1 4.41Å; P171-I402 HydrophobicContact CB-CG2 3.97Å; P171-I402 HydrophobicContact CG-CD1 3.89Å; P171-I402 HydrophobicContact CG-CG2 4.44Å; P171-N410 WeakPolarHBondContact O-CB 3.4Å; P171-N410 PolarHBondContact O-ND2 3.31Å
172	G	95.2	Very high	92.7	Very high	7 Å²	7	22 Å²	22	7%	0.072	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.3	174.1	0	0	0	0	0	113.8	L170 L221	L170-G172 PolarHBondContact O-N 3.22Å; G172-L221 WeakPolarHBondContact CA-O 3.32Å; G172-L221 PolarHBondContact N-O 2.68Å
173	G	94.4	Very high	92.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	13%	0.126	C	C	.	.			trans	73.4	-155.6	-176.2	0	0	0	0	0	111.8	L170 P171 L220 L221	L170-G173 PolarHBondContact O-N 2.83Å; P171-G173 PolarHBondContact O-N 3.41Å; G173-L220 CarbonylContact O-C 3.54Å; G173-L220 WeakPolarHBondContact O-CA 3.48Å; G173-L221 PolarHBondContact O-N 2.8Å
174	D	93.6	Very high	93.1	Very high	28 Å²	28	29 Å²	29	15%	0.15	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-109.6	158.2	179.8	61.4	82	0	0	0	112.7	M176 T177 L178 L219 L220	D174-M176 PolarHBondContact O-N 3.38Å; D174-M176 WeakPolarHBondContact OD1-CA 3.48Å; D174-M176 WeakPolarHBondContact OD1-CB 3.47Å; D174-M176 PolarHBondContact OD1-N 3.39Å; D174-M176 VanDerWaalsContact OD1-N 3.13Å; D174-T177 PolarHBondContact O-N 3.08Å; D174-T177 PolarHBondContact OD1-N 3.05Å; D174-T177 PolarHBondContact OD1-OG1 3.32Å; D174-T177 VanDerWaalsContact OD1-OG1 3.08Å; D174-T177 PolarHBondContact OD2-OG1 3.2Å; D174-L178 PolarHBondContact O-N 3.12Å; D174-L178 VanDerWaalsContact O-N 3.11Å; D174-L219 CarbonylContact C-O 3.53Å; D174-L219 WeakPolarHBondContact CA-O 3.37Å; D174-L220 HydrophobicContact CB-CD2 3.66Å
175	M	95.4	Very high	93.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-29.9	179.8	-177.1	61.3	67.4	0	0	112.1	L178 L179 L185 Y193 P216 L219 L221 M316	M175-L178 HydrophobicContact CE-CD2 4.18Å; M175-L178 PolarHBondContact O-N 2.78Å; M175-L178 HydrophobicContact SD-CB 4.36Å; M175-L178 HydrophobicContact SD-CD2 3.76Å; M175-L178 HydrophobicContact SD-CG 4.37Å; M175-L179 HydrophobicContact CG-CD1 4.26Å; M175-L179 HydrophobicContact CG-CG 4.39Å; M175-L179 WeakPolarHBondContact O-CB 3.42Å; M175-L179 VanDerWaalsContact O-CG 3.32Å; M175-L179 WeakPolarHBondContact O-CG 3.34Å; M175-L179 PolarHBondContact O-N 3.35Å; M175-L179 HydrophobicContact SD-CG 4.38Å; M175-L185 HydrophobicContact SD-CD1 4.34Å; M175-Y193 HydrophobicContact CE-CD1 3.53Å; M175-Y193 HydrophobicContact CE-CD2 3.82Å; M175-Y193 HydrophobicContact CE-CE1 3.91Å; M175-Y193 HydrophobicContact CE-CE2 4.18Å; M175-Y193 HydrophobicContact CE-CG 3.49Å; M175-Y193 VanDerWaalsContact CE-CG 3.49Å; M175-P216 HydrophobicContact CB-CB 4.1Å; M175-P216 VanDerWaalsContact CB-O 3.29Å; M175-P216 WeakPolarHBondContact CB-O 3.35Å; M175-P216 HydrophobicContact CG-CB 4.12Å; M175-P216 PolarHBondContact N-O 2.76Å; M175-L219 HydrophobicContact CB-CB 3.85Å; M175-L219 PolarHBondContact N-O 2.93Å; M175-L221 HydrophobicContact CE-CD2 4.22Å; M175-M316 HydrophobicContact CE-CE 3.85Å; M175-M316 HydrophobicContact CG-CE 3.79Å; M175-M316 HydrophobicContact SD-CE 3.67Å
176	M	90.9	Very high	93.6	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-47.8	174.1	164.6	170.7	153.5	0	0	110.9	D174 L178 L179 M180 P216 D217 R276 R277 A280	D174-M176 PolarHBondContact O-N 3.38Å; D174-M176 WeakPolarHBondContact OD1-CA 3.48Å; D174-M176 WeakPolarHBondContact OD1-CB 3.47Å; D174-M176 PolarHBondContact OD1-N 3.39Å; D174-M176 VanDerWaalsContact OD1-N 3.13Å; M176-L178 VanDerWaalsContact C-N 3.31Å; M176-L178 PolarHBondContact O-N 3.18Å; M176-L179 PolarHBondContact O-N 2.88Å; M176-M180 HydrophobicContact CE-SD 4.16Å; M176-M180 WeakPolarHBondContact O-CG 3.23Å; M176-M180 PolarHBondContact O-N 3.04Å; M176-P216 HydrophobicContact CB-CB 3.91Å; M176-P216 PolarHBondContact N-O 3.21Å; M176-D217 HydrophobicContact CB-CB 4.19Å; M176-D217 HydrophobicContact SD-CB 4.18Å; M176-R276 HydrophobicContact CE-CB 4.31Å; M176-R276 HydrophobicContact CE-CG 3.6Å; M176-R276 HydrophobicContact CG-CG 4.23Å; M176-R276 HydrophobicContact SD-CG 3.8Å; M176-R277 HydrophobicContact CE-CG 4.24Å; M176-A280 HydrophobicContact CE-CB 3.82Å; M176-A280 HydrophobicContact SD-CB 4.06Å
177	T	91.1	Very high	93.8	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-38	178.2	-61.4	0	0	0	0	111.3	D174 M180 K181 N410	D174-T177 PolarHBondContact O-N 3.08Å; D174-T177 PolarHBondContact OD1-N 3.05Å; D174-T177 PolarHBondContact OD1-OG1 3.32Å; D174-T177 VanDerWaalsContact OD1-OG1 3.08Å; D174-T177 PolarHBondContact OD2-OG1 3.2Å; T177-M180 PolarHBondContact O-N 3.05Å; T177-K181 WeakPolarHBondContact O-CG 3.48Å; T177-K181 PolarHBondContact O-N 3.08Å; T177-N410 WeakPolarHBondContact CG2-O 3.48Å
178	L	93.5	Very high	94.1	Very high	20 Å²	20	42 Å²	42	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-47.7	173.1	178.8	58.8	0	0	0	111.8	D174 M175 M176 M180 K181 K182 Y193 L221 I398	D174-L178 PolarHBondContact O-N 3.12Å; D174-L178 VanDerWaalsContact O-N 3.11Å; M175-L178 HydrophobicContact CE-CD2 4.18Å; M175-L178 PolarHBondContact O-N 2.78Å; M175-L178 HydrophobicContact SD-CB 4.36Å; M175-L178 HydrophobicContact SD-CD2 3.76Å; M175-L178 HydrophobicContact SD-CG 4.37Å; M176-L178 VanDerWaalsContact C-N 3.31Å; M176-L178 PolarHBondContact O-N 3.18Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 PolarHBondContact O-N 3.38Å; L178-K181 PolarHBondContact O-N 3.34Å; L178-K181 VanDerWaalsContact O-N 3.1Å; L178-K182 HydrophobicContact CD1-CG 3.94Å; L178-K182 PolarHBondContact O-N 2.68Å; L178-Y193 HydrophobicContact CD2-CE2 4.25Å; L178-L221 HydrophobicContact CD2-CD1 3.74Å; L178-I398 HydrophobicContact CD1-CD1 4.23Å; L178-I398 HydrophobicContact CD2-CD1 4.14Å
179	L	92.9	Very high	94.3	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-37.8	176.6	-70.7	174.8	0	0	0	112	M175 M176 K181 K182 D183 L185 P216 E315 M316	M175-L179 HydrophobicContact CG-CD1 4.26Å; M175-L179 HydrophobicContact CG-CG 4.39Å; M175-L179 WeakPolarHBondContact O-CB 3.42Å; M175-L179 VanDerWaalsContact O-CG 3.32Å; M175-L179 WeakPolarHBondContact O-CG 3.34Å; M175-L179 PolarHBondContact O-N 3.35Å; M175-L179 HydrophobicContact SD-CG 4.38Å; M176-L179 PolarHBondContact O-N 2.88Å; L179-K181 VanDerWaalsContact C-N 3.25Å; L179-K181 PolarHBondContact O-N 3.34Å; L179-K182 PolarHBondContact O-N 2.82Å; L179-D183 VanDerWaalsContact O-CA 3.29Å; L179-D183 WeakPolarHBondContact O-CA 3.29Å; L179-D183 PolarHBondContact O-N 2.87Å; L179-L185 HydrophobicContact CD2-CD1 4.06Å; L179-L185 HydrophobicContact CD2-CD2 4.3Å; L179-L185 HydrophobicContact CD2-CG 3.78Å; L179-P216 HydrophobicContact CD1-CB 4.22Å; L179-P216 HydrophobicContact CD1-CG 4.22Å; L179-E315 HydrophobicContact CD1-CG 4.2Å; L179-M316 HydrophobicContact CD1-CG 4.38Å; L179-M316 HydrophobicContact CD2-CB 4.49Å; L179-M316 HydrophobicContact CD2-CG 4.11Å
180	M	89.2	Confident	94.5	Very high	29 Å²	29	39.4 Å²	39.4	14%	0.143	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-32.8	172.7	-73.8	-164.7	70.2	0	0	112.8	M176 T177 L178 K273 R277	M176-M180 HydrophobicContact CE-SD 4.16Å; M176-M180 WeakPolarHBondContact O-CG 3.23Å; M176-M180 PolarHBondContact O-N 3.04Å; T177-M180 PolarHBondContact O-N 3.05Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 PolarHBondContact O-N 3.38Å; M180-K273 HydrophobicContact CE-CG 4.13Å; M180-K273 WeakPolarHBondContact O-CE 3.49Å; M180-K273 PolarHBondContact O-NZ 2.79Å; M180-R277 HydrophobicContact CE-CG 4.02Å; M180-R277 VanDerWaalsContact CE-NE 3.35Å; M180-R277 HydrophobicContact SD-CG 3.85Å
181	K	90.1	Very high	94.6	Very high	115 Å²	115	40.4 Å²	40.4	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-80.4	-33.9	178.2	-72.6	177	-179.8	-178.8	0	112.8	T177 L178 L179 S409 N410	T177-K181 WeakPolarHBondContact O-CG 3.48Å; T177-K181 PolarHBondContact O-N 3.08Å; L178-K181 PolarHBondContact O-N 3.34Å; L178-K181 VanDerWaalsContact O-N 3.1Å; L179-K181 VanDerWaalsContact C-N 3.25Å; L179-K181 PolarHBondContact O-N 3.34Å; K181-S409 PolarHBondContact NZ-O 2.96Å; K181-N410 PolarHBondContact NZ-OD1 2.85Å
182	K	91.9	Very high	94.8	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-99.8	-14.7	-173.5	-67.5	-72.1	-173.9	173.5	0	114.7	L178 L179 T184 L185	L178-K182 HydrophobicContact CD1-CG 3.94Å; L178-K182 PolarHBondContact O-N 2.68Å; L179-K182 PolarHBondContact O-N 2.82Å; K182-T184 PolarHBondContact O-N 2.94Å; K182-L185 HydrophobicContact CB-CD2 4.1Å; K182-L185 HydrophobicContact CG-CD2 4.34Å
183	D	91	Very high	94.9	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	21%	0.206	S	C	.	.	S	Bend	trans	64.1	-56.8	-169	-60.6	-46.9	0	0	0	113.4	L179 K273	L179-D183 VanDerWaalsContact O-CA 3.29Å; L179-D183 WeakPolarHBondContact O-CA 3.29Å; L179-D183 PolarHBondContact O-N 2.87Å; D183-K273 IonicContact OD1-NZ 2.65Å; D183-K273 PolarHBondContact OD1-NZ 2.98Å
184	T	96.1	Very high	95.1	Very high	67 Å²	67	40.7 Å²	40.7	41%	0.411	21%	0.206	S	C	.	.	S	Bend	trans	-137.4	164.3	173.6	60	0	0	0	0	111.1	K182 M316	K182-T184 PolarHBondContact O-N 2.94Å; T184-M316 CarbonylContact C-O 3.55Å; T184-M316 WeakPolarHBondContact CA-O 3.31Å; T184-M316 WeakPolarHBondContact CB-O 3.21Å
185	L	97.8	Very high	95.4	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.068	20%	0.199	C	C	.	.			trans	-109.7	153	173.9	-57.3	-174.4	0	0	0	110.1	M175 L179 K182 A189 Y193 M316 I398	M175-L185 HydrophobicContact SD-CD1 4.34Å; L179-L185 HydrophobicContact CD2-CD1 4.06Å; L179-L185 HydrophobicContact CD2-CD2 4.3Å; L179-L185 HydrophobicContact CD2-CG 3.78Å; K182-L185 HydrophobicContact CB-CD2 4.1Å; K182-L185 HydrophobicContact CG-CD2 4.34Å; L185-A189 HydrophobicContact CB-CB 4.25Å; L185-Y193 HydrophobicContact CD1-CD2 3.85Å; L185-Y193 HydrophobicContact CD1-CE2 4.21Å; L185-M316 HydrophobicContact CB-CB 4.43Å; L185-M316 HydrophobicContact CD1-CB 4.24Å; L185-M316 HydrophobicContact CD1-CE 4.38Å; L185-M316 HydrophobicContact CD1-CG 3.93Å; L185-M316 HydrophobicContact CD1-SD 4.14Å; L185-M316 HydrophobicContact CG-CB 4.43Å; L185-M316 PolarHBondContact N-O 2.94Å; L185-I398 HydrophobicContact CD2-CD1 3.92Å
186	S	97.9	Very high	95.5	Very high	68 Å²	68	39.4 Å²	39.4	48%	0.476	20%	0.199	S	C	.	.			trans	-66.1	160.4	168.4	65.2	0	0	0	0	110.5	E188 A189 T190	S186-E188 PolarHBondContact O-N 3.49Å; S186-A189 PolarHBondContact O-N 2.86Å; S186-A189 WeakPolarHBondContact OG-CB 3.29Å; S186-A189 PolarHBondContact OG-N 3.23Å; S186-A189 VanDerWaalsContact OG-N 3.17Å; S186-T190 WeakPolarHBondContact O-CB 3.45Å; S186-T190 PolarHBondContact O-N 2.97Å; S186-T190 PolarHBondContact O-OG1 2.76Å
187	E	97.9	Very high	95.9	Very high	63 Å²	63	38.9 Å²	38.9	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-33.8	173.3	-72.3	-167.8	-161.5	0	0	112.5	T190 Q191 L317 S351 F382	E187-T190 PolarHBondContact O-N 3.36Å; E187-Q191 VanDerWaalsContact O-CB 3.25Å; E187-Q191 WeakPolarHBondContact O-CB 3.33Å; E187-Q191 PolarHBondContact O-N 2.99Å; E187-L317 HydrophobicContact CG-CD2 3.76Å; E187-S351 VanDerWaalsContact CD-OG 3.25Å; E187-S351 WeakPolarHBondContact OE1-CB 3.49Å; E187-S351 PolarHBondContact OE1-N 3.16Å; E187-S351 PolarHBondContact OE1-OG 2.79Å; E187-S351 WeakPolarHBondContact OE2-CB 3.41Å; E187-S351 PolarHBondContact OE2-OG 3.34Å; E187-F382 HydrophobicContact CB-CE2 4.45Å
188	E	97.3	Very high	96.2	Very high	153 Å²	153	38.5 Å²	38.5	72%	0.715	19%	0.194	S	C	*	.	H	α-helix	trans	-64.8	-48.3	175.7	-176.1	-178.4	-178.7	0	0	111.9	S186 T190 Q191 F192	S186-E188 PolarHBondContact O-N 3.49Å; E188-T190 VanDerWaalsContact C-N 3.32Å; E188-T190 PolarHBondContact O-N 2.95Å; E188-Q191 PolarHBondContact O-N 2.7Å; E188-F192 PolarHBondContact O-N 2.97Å; E188-F192 VanDerWaalsContact O-N 3.1Å
189	A	98	Very high	96.4	Very high	7 Å²	7	38.6 Å²	38.6	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-38.6	176.5	0	0	0	0	0	111.5	L185 S186 F192 Y193 A397	L185-A189 HydrophobicContact CB-CB 4.25Å; S186-A189 PolarHBondContact O-N 2.86Å; S186-A189 WeakPolarHBondContact OG-CB 3.29Å; S186-A189 PolarHBondContact OG-N 3.23Å; S186-A189 VanDerWaalsContact OG-N 3.17Å; A189-F192 PolarHBondContact O-N 3.29Å; A189-Y193 WeakPolarHBondContact O-CD2 3.21Å; A189-Y193 PolarHBondContact O-N 3.47Å; A189-A397 HydrophobicContact CB-CB 4.08Å
190	T	98.6	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-44.7	174.9	-58.5	0	0	0	0	111	S186 E187 E188 F192 Y193 I194 M313 M316 L317 F382	S186-T190 WeakPolarHBondContact O-CB 3.45Å; S186-T190 PolarHBondContact O-N 2.97Å; S186-T190 PolarHBondContact O-OG1 2.76Å; E187-T190 PolarHBondContact O-N 3.36Å; E188-T190 VanDerWaalsContact C-N 3.32Å; E188-T190 PolarHBondContact O-N 2.95Å; T190-F192 VanDerWaalsContact C-N 3.29Å; T190-F192 PolarHBondContact O-N 3.02Å; T190-Y193 PolarHBondContact O-N 2.92Å; T190-I194 HydrophobicContact CG2-CG1 3.81Å; T190-I194 VanDerWaalsContact O-CB 3.27Å; T190-I194 WeakPolarHBondContact O-CB 3.42Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 2.69Å; T190-M313 HydrophobicContact CG2-CG 3.93Å; T190-M316 HydrophobicContact CG2-CB 4.08Å; T190-M316 HydrophobicContact CG2-SD 3.99Å; T190-L317 HydrophobicContact CG2-CD1 4.32Å; T190-L317 HydrophobicContact CG2-CD2 4.07Å; T190-L317 HydrophobicContact CG2-CG 4.03Å; T190-L317 WeakPolarHBondContact OG1-CD2 3.33Å; T190-F382 HydrophobicContact CG2-CZ 4.36Å
191	Q	98.6	Very high	96.9	Very high	34 Å²	34	36.7 Å²	36.7	16%	0.159	19%	0.185	C	C	.	.	H	α-helix	trans	-56	-45.9	176.3	-174.9	-165.7	78.7	0	0	110.9	E187 E188 A195 F382 F383 S385 V386	E187-Q191 VanDerWaalsContact O-CB 3.25Å; E187-Q191 WeakPolarHBondContact O-CB 3.33Å; E187-Q191 PolarHBondContact O-N 2.99Å; E188-Q191 PolarHBondContact O-N 2.7Å; Q191-A195 WeakPolarHBondContact O-CB 3.32Å; Q191-A195 PolarHBondContact O-N 3.44Å; Q191-F382 HydrophobicContact CB-CE1 3.86Å; Q191-F382 HydrophobicContact CB-CZ 3.96Å; Q191-F382 HydrophobicContact CG-CD1 4.45Å; Q191-F382 HydrophobicContact CG-CE1 4.16Å; Q191-F382 PolarHBondContact NE2-O 2.85Å; Q191-F383 HydrophobicContact CG-CD1 3.9Å; Q191-F383 HydrophobicContact CG-CE1 4.48Å; Q191-S385 VanDerWaalsContact CD-OG 3.3Å; Q191-S385 PolarHBondContact NE2-OG 3.5Å; Q191-S385 PolarHBondContact OE1-OG 3.18Å; Q191-V386 HydrophobicContact CG-CG2 3.62Å
192	F	98.5	Very high	97.2	Very high	24 Å²	24	32 Å²	32	11%	0.105	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-55.8	176.6	178	-91.8	0	0	0	112.3	E188 A189 T190 I194 A195 E196 H226 I391 A396 A397	E188-F192 PolarHBondContact O-N 2.97Å; E188-F192 VanDerWaalsContact O-N 3.1Å; A189-F192 PolarHBondContact O-N 3.29Å; T190-F192 VanDerWaalsContact C-N 3.29Å; T190-F192 PolarHBondContact O-N 3.02Å; F192-I194 PolarHBondContact O-N 3.13Å; F192-A195 PolarHBondContact O-N 3.19Å; F192-E196 HydrophobicContact CE1-CG 4.18Å; F192-E196 HydrophobicContact CE2-CG 4.45Å; F192-E196 VanDerWaalsContact CZ-CD 3.48Å; F192-E196 HydrophobicContact CZ-CG 4.06Å; F192-E196 PolarHBondContact O-N 3.29Å; F192-H226 AromaticContact CZ-CE1 3.88Å; F192-H226 AromaticContact CZ-ND1 3.59Å; F192-I391 HydrophobicContact CD2-CD1 4.02Å; F192-I391 HydrophobicContact CD2-CG1 3.95Å; F192-I391 HydrophobicContact CE2-CD1 4.17Å; F192-I391 HydrophobicContact CE2-CG1 3.67Å; F192-A396 HydrophobicContact CE1-CB 3.77Å; F192-A396 VanDerWaalsContact CZ-CA 3.44Å; F192-A396 HydrophobicContact CZ-CB 3.68Å; F192-A397 HydrophobicContact CB-CB 3.7Å; F192-A397 HydrophobicContact CD1-CB 3.75Å; F192-A397 HydrophobicContact CD2-CB 4.47Å; F192-A397 HydrophobicContact CG-CB 3.7Å
193	Y	98.6	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.4	-37.1	-175.3	-70.4	-56.6	0	0	0	113.3	M175 L178 L185 A189 T190 T197 L221 V227 A397 I398	M175-Y193 HydrophobicContact CE-CD1 3.53Å; M175-Y193 HydrophobicContact CE-CD2 3.82Å; M175-Y193 HydrophobicContact CE-CE1 3.91Å; M175-Y193 HydrophobicContact CE-CE2 4.18Å; M175-Y193 HydrophobicContact CE-CG 3.49Å; M175-Y193 VanDerWaalsContact CE-CG 3.49Å; L178-Y193 HydrophobicContact CD2-CE2 4.25Å; L185-Y193 HydrophobicContact CD1-CD2 3.85Å; L185-Y193 HydrophobicContact CD1-CE2 4.21Å; A189-Y193 WeakPolarHBondContact O-CD2 3.21Å; A189-Y193 PolarHBondContact O-N 3.47Å; T190-Y193 PolarHBondContact O-N 2.92Å; Y193-T197 WeakPolarHBondContact O-CB 3.37Å; Y193-T197 PolarHBondContact O-N 2.79Å; Y193-T197 PolarHBondContact O-OG1 3.39Å; Y193-L221 HydrophobicContact CD1-CD2 4.43Å; Y193-L221 HydrophobicContact CE1-CD2 3.87Å; Y193-V227 HydrophobicContact CD1-CG2 3.73Å; Y193-V227 HydrophobicContact CE1-CG2 4.42Å; Y193-A397 HydrophobicContact CE2-CB 4.49Å; Y193-I398 HydrophobicContact CE2-CD1 4.01Å; Y193-I398 HydrophobicContact CE2-CG1 4.2Å; Y193-I398 VanDerWaalsContact OH-CB 3.3Å; Y193-I398 WeakPolarHBondContact OH-CB 3.36Å; Y193-I398 PolarHBondContact OH-N 3.32Å
194	I	98.7	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-43.5	174.8	-63.5	-61.8	0	0	0	109.8	T190 F192 E196 T197 V198 L309 I312 M313 M316 F383	T190-I194 HydrophobicContact CG2-CG1 3.81Å; T190-I194 VanDerWaalsContact O-CB 3.27Å; T190-I194 WeakPolarHBondContact O-CB 3.42Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 2.69Å; F192-I194 PolarHBondContact O-N 3.13Å; I194-E196 PolarHBondContact O-N 2.79Å; I194-T197 PolarHBondContact O-N 2.68Å; I194-V198 HydrophobicContact CG2-CG2 4.46Å; I194-V198 WeakPolarHBondContact O-CG2 3.42Å; I194-V198 PolarHBondContact O-N 2.82Å; I194-L309 HydrophobicContact CD1-CD1 3.57Å; I194-L309 HydrophobicContact CD1-CG 4.25Å; I194-L309 HydrophobicContact CG2-CD1 4.33Å; I194-L309 HydrophobicContact CG2-CD2 4.19Å; I194-L309 HydrophobicContact CG2-CG 4.25Å; I194-I312 HydrophobicContact CD1-CG2 4.31Å; I194-M313 HydrophobicContact CD1-CB 3.72Å; I194-M313 HydrophobicContact CD1-CG 4.32Å; I194-M313 HydrophobicContact CG1-CB 4.05Å; I194-M313 HydrophobicContact CG1-CG 4.09Å; I194-M316 HydrophobicContact CD1-CE 4.46Å; I194-M316 HydrophobicContact CD1-SD 3.85Å; I194-M316 HydrophobicContact CG1-SD 4.09Å; I194-F383 HydrophobicContact CB-CE1 4.33Å; I194-F383 HydrophobicContact CB-CZ 4.5Å; I194-F383 HydrophobicContact CG2-CE1 3.98Å; I194-F383 HydrophobicContact CG2-CZ 3.67Å
195	A	98.7	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-46	176.9	0	0	0	0	0	112.4	Q191 F192 T197 V198 L199 F383 V386 W388 I391	Q191-A195 WeakPolarHBondContact O-CB 3.32Å; Q191-A195 PolarHBondContact O-N 3.44Å; F192-A195 PolarHBondContact O-N 3.19Å; A195-T197 VanDerWaalsContact C-N 3.29Å; A195-T197 PolarHBondContact O-N 2.96Å; A195-V198 WeakPolarHBondContact O-CB 3.41Å; A195-V198 PolarHBondContact O-N 3.19Å; A195-L199 PolarHBondContact O-N 2.84Å; A195-L199 VanDerWaalsContact O-N 3.17Å; A195-F383 HydrophobicContact CB-CD1 4.17Å; A195-F383 HydrophobicContact CB-CE1 4.12Å; A195-V386 HydrophobicContact CB-CG1 3.85Å; A195-V386 HydrophobicContact CB-CG2 4.21Å; A195-W388 HydrophobicContact CB-CE3 4.48Å; A195-W388 HydrophobicContact CB-CH2 3.7Å; A195-W388 HydrophobicContact CB-CZ2 4.33Å; A195-W388 HydrophobicContact CB-CZ3 3.8Å; A195-W388 VanDerWaalsContact O-CZ3 3.29Å; A195-W388 WeakPolarHBondContact O-CZ3 3.48Å; A195-I391 HydrophobicContact CB-CD1 3.72Å
196	E	98.5	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-40.5	174.5	-74.3	-149.6	140.4	0	0	112.4	W149 F192 I194 V198 L199 A200 H226 V227 I391	W149-E196 HydrophobicContact CH2-CB 4.35Å; W149-E196 HydrophobicContact CH2-CG 4.18Å; W149-E196 HydrophobicContact CZ3-CB 3.75Å; W149-E196 HydrophobicContact CZ3-CG 3.94Å; F192-E196 HydrophobicContact CE1-CG 4.18Å; F192-E196 HydrophobicContact CE2-CG 4.45Å; F192-E196 VanDerWaalsContact CZ-CD 3.48Å; F192-E196 HydrophobicContact CZ-CG 4.06Å; F192-E196 PolarHBondContact O-N 3.29Å; I194-E196 PolarHBondContact O-N 2.79Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.48Å; E196-L199 PolarHBondContact O-N 2.84Å; E196-A200 WeakPolarHBondContact O-CB 3.36Å; E196-A200 PolarHBondContact O-N 2.95Å; E196-H226 IonicContact OE1-CE1 2.77Å; E196-H226 IonicContact OE1-CG 3.1Å; E196-H226 IonicContact OE1-ND1 3.74Å; E196-H226 PolarHBondContact OE1-ND1 3.47Å; E196-H226 VanDerWaalsContact OE2-CA 3.31Å; E196-H226 WeakPolarHBondContact OE2-CA 3.12Å; E196-H226 IonicContact OE2-ND1 2.69Å; E196-V227 HydrophobicContact CB-CB 4.11Å; E196-V227 HydrophobicContact CB-CG2 4.07Å; E196-V227 PolarHBondContact OE2-N 3.21Å; E196-I391 HydrophobicContact CG-CD1 3.71Å; E196-I391 HydrophobicContact CG-CG1 4.01Å; E196-I391 HydrophobicContact CG-CG2 4.47Å
197	T	98.6	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-32.9	178.6	-52.5	0	0	0	0	111.6	Y193 I194 A195 A200 I201 L219 L309	Y193-T197 WeakPolarHBondContact O-CB 3.37Å; Y193-T197 PolarHBondContact O-N 2.79Å; Y193-T197 PolarHBondContact O-OG1 3.39Å; I194-T197 PolarHBondContact O-N 2.68Å; A195-T197 VanDerWaalsContact C-N 3.29Å; A195-T197 PolarHBondContact O-N 2.96Å; T197-A200 PolarHBondContact O-N 3.14Å; T197-I201 HydrophobicContact CG2-CD1 3.83Å; T197-I201 HydrophobicContact CG2-CG1 4.21Å; T197-I201 WeakPolarHBondContact O-CB 3.28Å; T197-I201 WeakPolarHBondContact O-CG1 3.36Å; T197-I201 PolarHBondContact O-N 2.99Å; T197-L219 HydrophobicContact CG2-CD1 4.2Å; T197-L219 HydrophobicContact CG2-CD2 3.92Å; T197-L309 HydrophobicContact CG2-CD1 3.57Å
198	V	98.6	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-49.1	171.1	169.2	0	0	0	0	110.8	I194 A195 E196 A200 I201 D202 W306 L309 V374 I377 W388	I194-V198 HydrophobicContact CG2-CG2 4.46Å; I194-V198 WeakPolarHBondContact O-CG2 3.42Å; I194-V198 PolarHBondContact O-N 2.82Å; A195-V198 WeakPolarHBondContact O-CB 3.41Å; A195-V198 PolarHBondContact O-N 3.19Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.48Å; V198-A200 VanDerWaalsContact C-N 3.29Å; V198-A200 PolarHBondContact O-N 2.88Å; V198-I201 PolarHBondContact O-N 3.1Å; V198-D202 VanDerWaalsContact O-CB 3.32Å; V198-D202 WeakPolarHBondContact O-CB 3.38Å; V198-D202 PolarHBondContact O-N 3.04Å; V198-W306 HydrophobicContact CB-CZ3 4.43Å; V198-W306 HydrophobicContact CG1-CH2 4.27Å; V198-W306 HydrophobicContact CG1-CZ3 4.41Å; V198-W306 HydrophobicContact CG2-CZ3 4.31Å; V198-L309 HydrophobicContact CG2-CD2 3.57Å; V198-V374 HydrophobicContact CG1-CG2 3.64Å; V198-I377 HydrophobicContact CG1-CG2 4.03Å; V198-I377 HydrophobicContact CG2-CG2 3.67Å; V198-W388 HydrophobicContact CB-CH2 4.1Å; V198-W388 HydrophobicContact CB-CZ3 3.91Å; V198-W388 HydrophobicContact CG1-CH2 4.08Å; V198-W388 HydrophobicContact CG1-CZ3 3.88Å; V198-W388 HydrophobicContact CG2-CH2 4.42Å
199	L	97.8	Very high	94.8	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.11	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-38.3	177.5	-66.4	177.2	0	0	0	111.8	W149 A195 E196 S203 W388 I391	W149-L199 HydrophobicContact CD2-CB 4.2Å; W149-L199 HydrophobicContact CH2-CB 4.03Å; W149-L199 HydrophobicContact CH2-CD1 3.73Å; W149-L199 HydrophobicContact CZ2-CB 3.63Å; W149-L199 HydrophobicContact CZ2-CD1 3.47Å; W149-L199 VanDerWaalsContact CZ2-CD1 3.47Å; W149-L199 HydrophobicContact CZ2-CG 4.2Å; W149-L199 HydrophobicContact CZ3-CB 4.45Å; A195-L199 PolarHBondContact O-N 2.84Å; A195-L199 VanDerWaalsContact O-N 3.17Å; E196-L199 PolarHBondContact O-N 2.84Å; L199-S203 WeakPolarHBondContact O-CB 3.36Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-W388 HydrophobicContact CD1-CE3 4.11Å; L199-W388 HydrophobicContact CD2-CE3 3.78Å; L199-W388 HydrophobicContact CD2-CZ3 4.29Å; L199-W388 HydrophobicContact CG-CE3 3.8Å; L199-W388 HydrophobicContact CG-CZ3 4.05Å; L199-I391 HydrophobicContact CD1-CG2 3.62Å
200	A	96.6	Very high	94.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-49.1	179.1	0	0	0	0	0	112.8	W149 E196 T197 V198 S203 I204 L229	W149-A200 HydrophobicContact CB-CB 3.68Å; W149-A200 HydrophobicContact CD2-CB 4.25Å; W149-A200 HydrophobicContact CE3-CB 4.05Å; W149-A200 HydrophobicContact CG-CB 4.13Å; E196-A200 WeakPolarHBondContact O-CB 3.36Å; E196-A200 PolarHBondContact O-N 2.95Å; T197-A200 PolarHBondContact O-N 3.14Å; V198-A200 VanDerWaalsContact C-N 3.29Å; V198-A200 PolarHBondContact O-N 2.88Å; A200-S203 PolarHBondContact O-N 2.92Å; A200-S203 PolarHBondContact O-OG 2.95Å; A200-I204 PolarHBondContact O-N 3.24Å; A200-L229 HydrophobicContact CB-CD1 3.79Å; A200-L229 HydrophobicContact CB-CD2 4.37Å; A200-L229 HydrophobicContact CB-CG 3.78Å
201	I	96	Very high	93.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-44.3	178	-68.6	171	0	0	0	110.5	T197 V198 S203 I204 H205 I214 L229 D305 W306 L309	T197-I201 HydrophobicContact CG2-CD1 3.83Å; T197-I201 HydrophobicContact CG2-CG1 4.21Å; T197-I201 WeakPolarHBondContact O-CB 3.28Å; T197-I201 WeakPolarHBondContact O-CG1 3.36Å; T197-I201 PolarHBondContact O-N 2.99Å; V198-I201 PolarHBondContact O-N 3.1Å; I201-S203 VanDerWaalsContact C-N 3.29Å; I201-S203 PolarHBondContact O-N 2.93Å; I201-I204 WeakPolarHBondContact O-CG1 3.43Å; I201-I204 PolarHBondContact O-N 3.01Å; I201-H205 WeakPolarHBondContact CG2-CE1 3.34Å; I201-H205 WeakPolarHBondContact CG2-NE2 3.31Å; I201-H205 PolarHBondContact O-CD2 2.75Å; I201-H205 PolarHBondContact O-N 2.75Å; I201-I214 HydrophobicContact CD1-CD1 4.05Å; I201-I214 HydrophobicContact CD1-CG1 4.09Å; I201-I214 HydrophobicContact CD1-CG2 4.21Å; I201-I214 HydrophobicContact CG1-CD1 3.91Å; I201-I214 HydrophobicContact CG1-CG1 4.37Å; I201-L229 HydrophobicContact CG1-CD1 4.47Å; I201-D305 HydrophobicContact CD1-CB 4.47Å; I201-D305 HydrophobicContact CG2-CB 3.87Å; I201-W306 HydrophobicContact CB-CE3 4.46Å; I201-W306 HydrophobicContact CB-CH2 3.65Å; I201-W306 HydrophobicContact CB-CZ3 3.59Å; I201-W306 HydrophobicContact CD1-CE3 4.19Å; I201-W306 HydrophobicContact CD1-CZ3 3.88Å; I201-W306 HydrophobicContact CG1-CZ3 4.33Å; I201-W306 HydrophobicContact CG2-CD2 4.42Å; I201-W306 HydrophobicContact CG2-CE3 4.01Å; I201-W306 HydrophobicContact CG2-CH2 3.42Å; I201-W306 VanDerWaalsContact CG2-CH2 3.42Å; I201-W306 HydrophobicContact CG2-CZ2 3.89Å; I201-W306 HydrophobicContact CG2-CZ3 3.49Å; I201-W306 VanDerWaalsContact CG2-CZ3 3.49Å; I201-L309 HydrophobicContact CD1-CB 4.37Å; I201-L309 HydrophobicContact CD1-CD2 4.3Å
202	D	95.6	Very high	93.3	Very high	17 Å²	17	20.2 Å²	20.2	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-38.8	177.9	-173.8	52	0	0	0	111.5	V198 I204 H205 Q206 W306 V374	V198-D202 VanDerWaalsContact O-CB 3.32Å; V198-D202 WeakPolarHBondContact O-CB 3.38Å; V198-D202 PolarHBondContact O-N 3.04Å; D202-I204 VanDerWaalsContact C-N 3.32Å; D202-I204 PolarHBondContact O-N 2.69Å; D202-H205 PolarHBondContact O-N 2.84Å; D202-H205 VanDerWaalsContact O-N 3.15Å; D202-Q206 VanDerWaalsContact O-CG 3.32Å; D202-Q206 WeakPolarHBondContact O-CG 3.39Å; D202-Q206 PolarHBondContact O-N 3.38Å; D202-Q206 PolarHBondContact OD2-NE2 3.16Å; D202-W306 HydrophobicContact CB-CH2 4.35Å; D202-V374 HydrophobicContact CB-CB 4.48Å; D202-V374 HydrophobicContact CB-CG2 3.97Å
203	S	92.8	Very high	92.7	Very high	17 Å²	17	20.1 Å²	20.1	12%	0.119	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-38.7	178.5	79.8	0	0	0	0	113.3	S147 L199 A200 I201 L207	S147-S203 PolarHBondContact OG-OG 2.8Å; L199-S203 WeakPolarHBondContact O-CB 3.36Å; L199-S203 PolarHBondContact O-N 3.45Å; A200-S203 PolarHBondContact O-N 2.92Å; A200-S203 PolarHBondContact O-OG 2.95Å; I201-S203 VanDerWaalsContact C-N 3.29Å; I201-S203 PolarHBondContact O-N 2.93Å; S203-L207 WeakPolarHBondContact O-CG 3.45Å; S203-L207 PolarHBondContact O-N 2.75Å
204	I	90.3	Very high	92.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-78.7	-30.5	176.7	59.3	169.7	0	0	0	112.1	V150 A200 I201 D202 L207 G208 F209 H211 L229 F232	V150-I204 HydrophobicContact CG2-CG2 3.67Å; A200-I204 PolarHBondContact O-N 3.24Å; I201-I204 WeakPolarHBondContact O-CG1 3.43Å; I201-I204 PolarHBondContact O-N 3.01Å; D202-I204 VanDerWaalsContact C-N 3.32Å; D202-I204 PolarHBondContact O-N 2.69Å; I204-L207 PolarHBondContact O-N 2.79Å; I204-G208 PolarHBondContact O-N 3.49Å; I204-F209 PolarHBondContact O-N 3.13Å; I204-H211 HydrophobicContact CD1-CB 3.71Å; I204-L229 HydrophobicContact CD1-CD1 3.76Å; I204-L229 HydrophobicContact CG1-CD1 4.3Å; I204-L229 HydrophobicContact CG2-CD1 4.39Å; I204-F232 HydrophobicContact CD1-CE1 4.41Å; I204-F232 HydrophobicContact CG2-CE1 4.2Å
205	H	91.5	Very high	92.2	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.065	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-38.2	173.3	-73.4	-173.9	0	0	0	111.9	I201 D202 L207 G208 F209 K302 D305	I201-H205 WeakPolarHBondContact CG2-CE1 3.34Å; I201-H205 WeakPolarHBondContact CG2-NE2 3.31Å; I201-H205 PolarHBondContact O-CD2 2.75Å; I201-H205 PolarHBondContact O-N 2.75Å; D202-H205 PolarHBondContact O-N 2.84Å; D202-H205 VanDerWaalsContact O-N 3.15Å; H205-L207 PolarHBondContact O-N 3.37Å; H205-G208 WeakPolarHBondContact O-CA 3.46Å; H205-G208 PolarHBondContact O-N 2.99Å; H205-F209 WeakPolarHBondContact CA-O 3.14Å; H205-F209 PolarHBondContact CD2-O 3.37Å; H205-F209 VanDerWaalsContact CD2-O 3.22Å; H205-K302 HydrophobicContact CB-CD 4.19Å; H205-K302 PolarHBondContact CE1-O 3.32Å; H205-D305 IonicContact CD2-OD2 3.49Å; H205-D305 IonicContact CE1-OD2 3Å; H205-D305 IonicContact NE2-OD2 3.67Å; H205-D305 PolarHBondContact NE2-OD2 3.44Å
206	Q	90	Very high	91.9	Very high	146 Å²	146	22.1 Å²	22.1	68%	0.682	12%	0.119	S	C	*	.	H	α-helix	trans	-65.2	-28.7	174.7	-71.5	-179.8	21.1	0	0	112.6	D202 G208	D202-Q206 VanDerWaalsContact O-CG 3.32Å; D202-Q206 WeakPolarHBondContact O-CG 3.39Å; D202-Q206 PolarHBondContact O-N 3.38Å; D202-Q206 PolarHBondContact OD2-NE2 3.16Å; Q206-G208 PolarHBondContact O-N 3.22Å
207	L	84.9	Confident	91.5	Very high	79 Å²	79	23.6 Å²	23.6	41%	0.414	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.1	171.4	-65.3	173.2	0	0	0	113.1	A145 S203 I204 H205 F209	A145-L207 HydrophobicContact CB-CD1 4.22Å; S203-L207 WeakPolarHBondContact O-CG 3.45Å; S203-L207 PolarHBondContact O-N 2.75Å; I204-L207 PolarHBondContact O-N 2.79Å; H205-L207 PolarHBondContact O-N 3.37Å; L207-F209 HydrophobicContact CB-CD2 3.65Å; L207-F209 HydrophobicContact CB-CE2 3.95Å
208	G	85.4	Confident	91.2	Very high	45 Å²	45	24 Å²	24	46%	0.464	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	13.1	178.4	0	0	0	0	0	114.7	I204 H205 Q206	I204-G208 PolarHBondContact O-N 3.49Å; H205-G208 WeakPolarHBondContact O-CA 3.46Å; H205-G208 PolarHBondContact O-N 2.99Å; Q206-G208 PolarHBondContact O-N 3.22Å
209	F	84.1	Confident	91.1	Very high	30 Å²	30	24 Å²	24	13%	0.132	13%	0.129	C	C	.	.			trans	-101.8	150.6	178.1	-59.9	-74.3	0	0	0	111.7	I141 E144 I204 H205 L207	I141-F209 HydrophobicContact CD1-CB 4.01Å; I141-F209 HydrophobicContact CD1-CD1 3.52Å; I141-F209 HydrophobicContact CD1-CD2 4.42Å; I141-F209 HydrophobicContact CD1-CE1 4.05Å; I141-F209 HydrophobicContact CD1-CG 3.73Å; I141-F209 HydrophobicContact CG1-CB 4.32Å; I141-F209 HydrophobicContact CG1-CD1 3.38Å; I141-F209 HydrophobicContact CG1-CD2 3.81Å; I141-F209 HydrophobicContact CG1-CE1 3.45Å; I141-F209 VanDerWaalsContact CG1-CE1 3.45Å; I141-F209 HydrophobicContact CG1-CE2 3.89Å; I141-F209 HydrophobicContact CG1-CG 3.56Å; I141-F209 HydrophobicContact CG1-CZ 3.71Å; E144-F209 WeakPolarHBondContact OE2-CZ 3.49Å; I204-F209 PolarHBondContact O-N 3.13Å; H205-F209 WeakPolarHBondContact CA-O 3.14Å; H205-F209 PolarHBondContact CD2-O 3.37Å; H205-F209 VanDerWaalsContact CD2-O 3.22Å; L207-F209 HydrophobicContact CB-CD2 3.65Å; L207-F209 HydrophobicContact CB-CE2 3.95Å
210	I	87	Confident	91	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-118.8	131.3	171.4	-54.2	172.8	0	0	0	106.7	R212 C235 L238 K302 D305	I210-R212 HydrophobicContact CB-CG 4.15Å; I210-R212 HydrophobicContact CG2-CG 3.63Å; I210-C235 VanDerWaalsContact O-CA 3.3Å; I210-C235 WeakPolarHBondContact O-CA 3.06Å; I210-C235 WeakPolarHBondContact O-CB 3.32Å; I210-L238 HydrophobicContact CD1-CD2 4.08Å; I210-K302 HydrophobicContact CD1-CB 4.16Å; I210-K302 HydrophobicContact CG1-CB 3.89Å; I210-D305 WeakPolarHBondContact CG2-OD2 3.02Å
211	H	89.3	Confident	91.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.			trans	-71.4	-50.8	-173	-164.2	-78.8	0	0	0	112.4	I204 D213 I214 S230 F232 C235 D305	I204-H211 HydrophobicContact CD1-CB 3.71Å; H211-D213 PolarHBondContact CE1-O 3.23Å; H211-D213 VanDerWaalsContact ND1-C 3.27Å; H211-D213 PolarHBondContact ND1-N 3.42Å; H211-D213 PolarHBondContact ND1-O 3.06Å; H211-D213 PolarHBondContact O-N 3.36Å; H211-I214 HydrophobicContact CB-CD1 3.64Å; H211-I214 HydrophobicContact CB-CG1 3.73Å; H211-I214 PolarHBondContact ND1-N 2.78Å; H211-S230 PolarHBondContact NE2-O 3.29Å; H211-F232 AromaticContact CD2-CD1 3.71Å; H211-F232 AromaticContact CD2-CE1 3.65Å; H211-F232 AromaticContact NE2-CD1 3.88Å; H211-F232 AromaticContact NE2-CE1 3.89Å; H211-C235 WeakPolarHBondContact CA-SG 3.43Å; H211-C235 PolarHBondContact O-SG 2.95Å; H211-D305 PolarHBondContact N-OD2 3.5Å
212	R	87.1	Confident	91	Very high	27 Å²	27	25.6 Å²	25.6	10%	0.102	14%	0.138	C	C	.	.	S	Bend	trans	67.7	-7.3	176.9	-53.4	172.2	170.8	-168.4	-1	116.7	I210 L234 T236 G237 K239 Y300 D305	I210-R212 HydrophobicContact CB-CG 4.15Å; I210-R212 HydrophobicContact CG2-CG 3.63Å; R212-L234 HydrophobicContact CB-CB 4.36Å; R212-L234 VanDerWaalsContact CD-O 3.28Å; R212-L234 WeakPolarHBondContact CD-O 2.85Å; R212-T236 PolarHBondContact NH1-OG1 3.27Å; R212-T236 PolarHBondContact NH2-OG1 3.14Å; R212-G237 PolarHBondContact NH2-O 2.97Å; R212-K239 PolarHBondContact NH1-O 3.17Å; R212-K239 PolarHBondContact NH2-O 3.24Å; R212-Y300 WeakPolarHBondContact CD-OH 3.45Å; R212-Y300 HydrophobicContact CG-CE2 4.06Å; R212-Y300 PolarHBondContact NE-OH 3.36Å; R212-Y300 PolarHBondContact NH1-OH 3.08Å; R212-Y300 VanDerWaalsContact NH1-OH 3.08Å; R212-D305 WeakPolarHBondContact CA-OD1 3.32Å; R212-D305 PolarHBondContact N-OD1 2.73Å
213	D	87.1	Confident	91	Very high	22 Å²	22	28 Å²	28	12%	0.118	16%	0.155	C	C	.	.			trans	-133.4	44.6	176.9	-147.4	32.1	0	0	0	111.2	H211 K215 N218 L234 R243	H211-D213 PolarHBondContact CE1-O 3.23Å; H211-D213 VanDerWaalsContact ND1-C 3.27Å; H211-D213 PolarHBondContact ND1-N 3.42Å; H211-D213 PolarHBondContact ND1-O 3.06Å; H211-D213 PolarHBondContact O-N 3.36Å; D213-K215 VanDerWaalsContact CG-CE 3.47Å; D213-K215 PolarHBondContact O-N 2.83Å; D213-K215 WeakPolarHBondContact OD2-CE 3.3Å; D213-K215 IonicContact OD2-NZ 3.89Å; D213-K215 PolarHBondContact OD2-NZ 3.28Å; D213-N218 PolarHBondContact O-ND2 3.18Å; D213-N218 PolarHBondContact OD2-ND2 3.04Å; D213-L234 HydrophobicContact CB-CB 4.31Å; D213-L234 HydrophobicContact CB-CD1 3.74Å; D213-L234 HydrophobicContact CB-CG 4.28Å; D213-R243 IonicContact OD1-NH1 3.85Å
214	I	93.7	Very high	91.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.173	C	C	.	.			trans	-74.2	118	176.3	-66.3	-65.4	0	0	0	108.7	I201 H211 L229 Y289 D305 S308 I312	I201-I214 HydrophobicContact CD1-CD1 4.05Å; I201-I214 HydrophobicContact CD1-CG1 4.09Å; I201-I214 HydrophobicContact CD1-CG2 4.21Å; I201-I214 HydrophobicContact CG1-CD1 3.91Å; I201-I214 HydrophobicContact CG1-CG1 4.37Å; H211-I214 HydrophobicContact CB-CD1 3.64Å; H211-I214 HydrophobicContact CB-CG1 3.73Å; H211-I214 PolarHBondContact ND1-N 2.78Å; I214-L229 HydrophobicContact CD1-CD2 3.97Å; I214-Y289 WeakPolarHBondContact O-CB 3.42Å; I214-D305 HydrophobicContact CG1-CB 4.08Å; I214-S308 WeakPolarHBondContact O-CB 3.32Å; I214-I312 HydrophobicContact CG2-CD1 3.59Å
215	K	92.3	Very high	91.4	Very high	40 Å²	40	33.2 Å²	33.2	17%	0.174	17%	0.173	C	C	.	.	S	Bend	trans	-162.6	160.7	-178.2	53.6	-176.4	173.4	151.4	0	109.3	D213 D217 N218 Y289	D213-K215 VanDerWaalsContact CG-CE 3.47Å; D213-K215 PolarHBondContact O-N 2.83Å; D213-K215 WeakPolarHBondContact OD2-CE 3.3Å; D213-K215 IonicContact OD2-NZ 3.89Å; D213-K215 PolarHBondContact OD2-NZ 3.28Å; K215-D217 VanDerWaalsContact C-N 3.28Å; K215-D217 VanDerWaalsContact CD-OD1 3.23Å; K215-D217 WeakPolarHBondContact CD-OD1 3.33Å; K215-D217 WeakPolarHBondContact CD-OD2 3.33Å; K215-D217 WeakPolarHBondContact CE-OD2 3.49Å; K215-D217 WeakPolarHBondContact CG-OD1 3.36Å; K215-D217 IonicContact NZ-OD2 3.71Å; K215-D217 PolarHBondContact NZ-OD2 2.92Å; K215-D217 PolarHBondContact O-N 3.06Å; K215-N218 WeakPolarHBondContact CE-ND2 3.21Å; K215-N218 HydrophobicContact CG-CB 4.26Å; K215-N218 PolarHBondContact O-N 3.27Å; K215-Y289 HydrophobicContact CB-CD1 4.29Å; K215-Y289 HydrophobicContact CB-CD2 3.76Å; K215-Y289 HydrophobicContact CB-CE2 4.09Å; K215-Y289 HydrophobicContact CB-CG 3.9Å
216	P	93.8	Very high	91.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-59.5	-31.9	-172.4	-25.7	34.8	0	0	0	114.9	M175 M176 L179 N218 L219 Y289 I312 E315	M175-P216 HydrophobicContact CB-CB 4.1Å; M175-P216 VanDerWaalsContact CB-O 3.29Å; M175-P216 WeakPolarHBondContact CB-O 3.35Å; M175-P216 HydrophobicContact CG-CB 4.12Å; M175-P216 PolarHBondContact N-O 2.76Å; M176-P216 HydrophobicContact CB-CB 3.91Å; M176-P216 PolarHBondContact N-O 3.21Å; L179-P216 HydrophobicContact CD1-CB 4.22Å; L179-P216 HydrophobicContact CD1-CG 4.22Å; P216-N218 PolarHBondContact O-N 3.32Å; P216-L219 PolarHBondContact O-N 3.18Å; P216-Y289 HydrophobicContact CG-CE1 4.13Å; P216-I312 HydrophobicContact CG-CG1 4.17Å; P216-E315 WeakPolarHBondContact CG-OE2 3.32Å
217	D	89	Confident	92	Very high	32 Å²	32	25.6 Å²	25.6	17%	0.171	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.3	176.6	45.4	-67.6	0	0	0	113.7	M176 K215 R276	M176-D217 HydrophobicContact CB-CB 4.19Å; M176-D217 HydrophobicContact SD-CB 4.18Å; K215-D217 VanDerWaalsContact C-N 3.28Å; K215-D217 VanDerWaalsContact CD-OD1 3.23Å; K215-D217 WeakPolarHBondContact CD-OD1 3.33Å; K215-D217 WeakPolarHBondContact CD-OD2 3.33Å; K215-D217 WeakPolarHBondContact CE-OD2 3.49Å; K215-D217 WeakPolarHBondContact CG-OD1 3.36Å; K215-D217 IonicContact NZ-OD2 3.71Å; K215-D217 PolarHBondContact NZ-OD2 2.92Å; K215-D217 PolarHBondContact O-N 3.06Å; D217-R276 IonicContact OD1-NH2 3.75Å
218	N	92.4	Very high	92.6	Very high	7 Å²	7	23 Å²	23	4%	0.037	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-93.7	-3.9	178	-72.5	-9.3	0	0	0	113.4	D213 K215 P216 S230 D231	D213-N218 PolarHBondContact O-ND2 3.18Å; D213-N218 PolarHBondContact OD2-ND2 3.04Å; K215-N218 WeakPolarHBondContact CE-ND2 3.21Å; K215-N218 HydrophobicContact CG-CB 4.26Å; K215-N218 PolarHBondContact O-N 3.27Å; P216-N218 PolarHBondContact O-N 3.32Å; N218-S230 PolarHBondContact O-N 3.05Å; N218-S230 PolarHBondContact O-OG 3.28Å; N218-D231 WeakPolarHBondContact OD1-CB 3.26Å
219	L	96.4	Very high	93	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	100.7	174.1	-55.6	-175	0	0	0	109.3	D174 M175 T197 P216 V227 L229 I312	D174-L219 CarbonylContact C-O 3.53Å; D174-L219 WeakPolarHBondContact CA-O 3.37Å; M175-L219 HydrophobicContact CB-CB 3.85Å; M175-L219 PolarHBondContact N-O 2.93Å; T197-L219 HydrophobicContact CG2-CD1 4.2Å; T197-L219 HydrophobicContact CG2-CD2 3.92Å; P216-L219 PolarHBondContact O-N 3.18Å; L219-V227 HydrophobicContact CB-CG1 4.42Å; L219-V227 HydrophobicContact CD2-CG1 4.39Å; L219-L229 HydrophobicContact CD2-CD2 3.37Å; L219-I312 HydrophobicContact CD1-CD1 3.99Å; L219-I312 HydrophobicContact CD1-CG2 4.47Å
220	L	96.6	Very high	93.3	Very high	36 Å²	36	20.2 Å²	20.2	19%	0.188	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	154.9	-180	-56.9	-172.2	0	0	0	111.7	V151 L170 G173 D174 V227 K228 S230	V151-L220 HydrophobicContact CG2-CD1 3.91Å; L170-L220 HydrophobicContact CB-CB 4.44Å; L170-L220 HydrophobicContact CD1-CB 3.55Å; L170-L220 HydrophobicContact CD1-CD1 3.98Å; L170-L220 HydrophobicContact CD1-CG 4.41Å; G173-L220 CarbonylContact O-C 3.54Å; G173-L220 WeakPolarHBondContact O-CA 3.48Å; D174-L220 HydrophobicContact CB-CD2 3.66Å; L220-V227 CarbonylContact O-C 3.57Å; L220-V227 WeakPolarHBondContact O-CA 3.37Å; L220-K228 PolarHBondContact N-O 2.86Å; L220-K228 PolarHBondContact O-N 3.21Å; L220-S230 WeakPolarHBondContact CG-OG 3.4Å
221	L	97	Very high	93	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	179.7	-60.1	175.9	0	0	0	110.3	L170 G172 G173 M175 L178 Y193 H226 V227 I400	L170-L221 WeakPolarHBondContact CB-O 3.08Å; G172-L221 WeakPolarHBondContact CA-O 3.32Å; G172-L221 PolarHBondContact N-O 2.68Å; G173-L221 PolarHBondContact O-N 2.8Å; M175-L221 HydrophobicContact CE-CD2 4.22Å; L178-L221 HydrophobicContact CD2-CD1 3.74Å; Y193-L221 HydrophobicContact CD1-CD2 4.43Å; Y193-L221 HydrophobicContact CE1-CD2 3.87Å; L221-H226 WeakPolarHBondContact CA-O 3.19Å; L221-V227 HydrophobicContact CD2-CG2 4.13Å; L221-I400 HydrophobicContact CB-CD1 4.38Å; L221-I400 HydrophobicContact CD1-CD1 4.11Å
222	D	95.4	Very high	92.3	Very high	20 Å²	20	22.5 Å²	22.5	11%	0.107	11%	0.112	C	C	.	.			trans	-72	177	173.7	71.4	25.4	0	0	0	112.2	L170 R224 G225 H226 R392	L170-D222 HydrophobicContact CD2-CB 3.95Å; D222-R224 PolarHBondContact O-N 3.02Å; D222-R224 WeakPolarHBondContact OD1-CA 3.49Å; D222-R224 WeakPolarHBondContact OD1-CB 3.38Å; D222-R224 PolarHBondContact OD1-N 3.07Å; D222-G225 PolarHBondContact O-N 2.7Å; D222-G225 PolarHBondContact OD1-N 2.89Å; D222-G225 VanDerWaalsContact OD1-N 3.08Å; D222-H226 PolarHBondContact N-O 3.37Å; D222-H226 PolarHBondContact OD1-N 3.06Å; D222-R392 IonicContact OD2-NH2 3.1Å; D222-R392 PolarHBondContact OD2-NH2 2.91Å
223	S	94.6	Very high	91.1	Very high	66 Å²	66	21.8 Å²	21.8	46%	0.462	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17	-179.8	54.4	0	0	0	0	114.7
224	R	95.1	Very high	89.7	Confident	128 Å²	128	21.7 Å²	21.7	48%	0.483	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-5.8	177.4	-72.1	176.5	54.6	-173.9	-5.2	112.4	D222 H226 R392 E393 R394 A396	D222-R224 PolarHBondContact O-N 3.02Å; D222-R224 WeakPolarHBondContact OD1-CA 3.49Å; D222-R224 WeakPolarHBondContact OD1-CB 3.38Å; D222-R224 PolarHBondContact OD1-N 3.07Å; R224-H226 PolarHBondContact NH2-NE2 3.37Å; R224-H226 VanDerWaalsContact NH2-NE2 3.17Å; R224-R392 PolarHBondContact NH2-O 2.85Å; R224-R392 VanDerWaalsContact NH2-O 3.07Å; R224-E393 PolarHBondContact NH2-O 3Å; R224-E393 VanDerWaalsContact NH2-O 3.14Å; R224-R394 PolarHBondContact NH2-O 3.35Å; R224-A396 VanDerWaalsContact O-CB 3.28Å; R224-A396 WeakPolarHBondContact O-CB 3.19Å
225	G	96.1	Very high	88	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	88.9	12.8	-179	0	0	0	0	0	115.1	D222 A396 I400	D222-G225 PolarHBondContact O-N 2.7Å; D222-G225 PolarHBondContact OD1-N 2.89Å; D222-G225 VanDerWaalsContact OD1-N 3.08Å; G225-A396 WeakPolarHBondContact O-CB 3.35Å; G225-I400 VanDerWaalsContact CA-CG1 3.43Å
226	H	97.9	Very high	86.3	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.113	C	C	.	.			trans	-88.1	148.8	176.1	-62.7	-85.8	0	0	0	111.8	F192 E196 L221 D222 R224 R392 R394	F192-H226 AromaticContact CZ-CE1 3.88Å; F192-H226 AromaticContact CZ-ND1 3.59Å; E196-H226 IonicContact OE1-CE1 2.77Å; E196-H226 IonicContact OE1-CG 3.1Å; E196-H226 IonicContact OE1-ND1 3.74Å; E196-H226 PolarHBondContact OE1-ND1 3.47Å; E196-H226 VanDerWaalsContact OE2-CA 3.31Å; E196-H226 WeakPolarHBondContact OE2-CA 3.12Å; E196-H226 IonicContact OE2-ND1 2.69Å; L221-H226 WeakPolarHBondContact CA-O 3.19Å; D222-H226 PolarHBondContact N-O 3.37Å; D222-H226 PolarHBondContact OD1-N 3.06Å; R224-H226 PolarHBondContact NH2-NE2 3.37Å; R224-H226 VanDerWaalsContact NH2-NE2 3.17Å; H226-R392 HydrophobicContact CB-CG 4.26Å; H226-R392 PolarHBondContact CE1-O 3.28Å; H226-R392 PolarHBondContact NE2-O 3.12Å; H226-R394 PolarHBondContact CE1-O 3.36Å; H226-R394 PolarHBondContact NE2-O 3.45Å; H226-R394 VanDerWaalsContact NE2-O 3.08Å
227	V	97.7	Very high	84.1	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.1	-175.8	178.2	0	0	0	0	111.6	Y193 E196 L219 L220 L221 R392	Y193-V227 HydrophobicContact CD1-CG2 3.73Å; Y193-V227 HydrophobicContact CE1-CG2 4.42Å; E196-V227 HydrophobicContact CB-CB 4.11Å; E196-V227 HydrophobicContact CB-CG2 4.07Å; E196-V227 PolarHBondContact OE2-N 3.21Å; L219-V227 HydrophobicContact CB-CG1 4.42Å; L219-V227 HydrophobicContact CD2-CG1 4.39Å; L220-V227 CarbonylContact O-C 3.57Å; L220-V227 WeakPolarHBondContact O-CA 3.37Å; L221-V227 HydrophobicContact CD2-CG2 4.13Å; V227-R392 PolarHBondContact O-NH1 3.06Å; V227-R392 PolarHBondContact O-NH2 3.08Å
228	K	96.6	Very high	81.7	Confident	24 Å²	24	29 Å²	29	10%	0.104	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.4	161.2	-67.8	-167.2	174.1	-149.8	0	110.3	A148 W149 V151 E168 L170 L220	A148-K228 VanDerWaalsContact O-CE 3.23Å; A148-K228 WeakPolarHBondContact O-CE 3.26Å; W149-K228 CarbonylContact O-C 3.6Å; W149-K228 WeakPolarHBondContact O-CA 3.5Å; V151-K228 HydrophobicContact CG2-CB 4.28Å; E168-K228 IonicContact OE1-NZ 3.76Å; E168-K228 PolarHBondContact OE1-NZ 2.8Å; E168-K228 IonicContact OE2-NZ 3.61Å; E168-K228 PolarHBondContact OE2-NZ 3.02Å; L170-K228 HydrophobicContact CD1-CB 3.87Å; L170-K228 HydrophobicContact CD1-CD 3.92Å; L170-K228 HydrophobicContact CD1-CG 4.29Å; L170-K228 HydrophobicContact CD2-CD 4.15Å; L220-K228 PolarHBondContact N-O 2.86Å; L220-K228 PolarHBondContact O-N 3.21Å
229	L	94.8	Very high	78.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.1	174.1	-64.7	178	0	0	0	111	W149 V151 A200 I201 I204 I214 L219 F232	W149-L229 PolarHBondContact O-N 2.94Å; V151-L229 VanDerWaalsContact CG2-O 3.32Å; V151-L229 WeakPolarHBondContact CG2-O 3.48Å; V151-L229 PolarHBondContact N-O 3.27Å; A200-L229 HydrophobicContact CB-CD1 3.79Å; A200-L229 HydrophobicContact CB-CD2 4.37Å; A200-L229 HydrophobicContact CB-CG 3.78Å; I201-L229 HydrophobicContact CG1-CD1 4.47Å; I204-L229 HydrophobicContact CD1-CD1 3.76Å; I204-L229 HydrophobicContact CG1-CD1 4.3Å; I204-L229 HydrophobicContact CG2-CD1 4.39Å; I214-L229 HydrophobicContact CD1-CD2 3.97Å; L219-L229 HydrophobicContact CD2-CD2 3.37Å; L229-F232 HydrophobicContact CB-CE1 4.09Å; L229-F232 HydrophobicContact CB-CZ 3.7Å
230	S	90.2	Very high	76.1	Confident	16 Å²	16	43.8 Å²	43.8	11%	0.112	23%	0.226	C	C	.	.			trans	-134.7	169.9	176.4	70.8	0	0	0	0	111.1	H211 N218 L220	H211-S230 PolarHBondContact NE2-O 3.29Å; N218-S230 PolarHBondContact O-N 3.05Å; N218-S230 PolarHBondContact O-OG 3.28Å; L220-S230 WeakPolarHBondContact CG-OG 3.4Å
231	D	79.4	Confident	73.5	Confident	52 Å²	52	43.8 Å²	43.8	28%	0.278	23%	0.231	S	C	.	.			trans	57.8	68.6	175.2	-157.8	20.8	0	0	0	115.2	K119 N218 G233	K119-D231 IonicContact NZ-OD1 2.73Å; K119-D231 PolarHBondContact NZ-OD1 3.1Å; N218-D231 WeakPolarHBondContact OD1-CB 3.26Å; D231-G233 PolarHBondContact O-N 3.43Å; D231-G233 VanDerWaalsContact O-N 3.16Å
232	F	75.1	Confident	71	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-81.8	19.5	177.7	-57.2	-83.5	0	0	0	113.5	E138 I141 L142 V150 I204 H211 L229 L234 C235	E138-F232 HydrophobicContact CB-CB 4.3Å; E138-F232 HydrophobicContact CG-CB 4.18Å; I141-F232 HydrophobicContact CB-CB 4.39Å; I141-F232 HydrophobicContact CB-CG 4.34Å; I141-F232 HydrophobicContact CD1-CB 3.92Å; I141-F232 HydrophobicContact CD1-CD1 4.25Å; I141-F232 HydrophobicContact CD1-CG 4.32Å; I141-F232 HydrophobicContact CG2-CB 4.39Å; I141-F232 HydrophobicContact CG2-CD1 3.79Å; I141-F232 HydrophobicContact CG2-CD2 4.14Å; I141-F232 HydrophobicContact CG2-CE1 4.09Å; I141-F232 HydrophobicContact CG2-CE2 4.43Å; I141-F232 HydrophobicContact CG2-CG 3.83Å; I141-F232 HydrophobicContact CG2-CZ 4.41Å; L142-F232 HydrophobicContact CD2-CD2 3.86Å; L142-F232 HydrophobicContact CD2-CE2 3.75Å; L142-F232 HydrophobicContact CG-CD2 4.05Å; L142-F232 HydrophobicContact CG-CE2 4.43Å; V150-F232 HydrophobicContact CB-CZ 4.2Å; V150-F232 HydrophobicContact CG1-CE2 3.51Å; V150-F232 HydrophobicContact CG1-CZ 3.45Å; V150-F232 VanDerWaalsContact CG1-CZ 3.45Å; V150-F232 HydrophobicContact CG2-CZ 3.91Å; I204-F232 HydrophobicContact CD1-CE1 4.41Å; I204-F232 HydrophobicContact CG2-CE1 4.2Å; H211-F232 AromaticContact CD2-CD1 3.71Å; H211-F232 AromaticContact CD2-CE1 3.65Å; H211-F232 AromaticContact NE2-CD1 3.88Å; H211-F232 AromaticContact NE2-CE1 3.89Å; L229-F232 HydrophobicContact CB-CE1 4.09Å; L229-F232 HydrophobicContact CB-CZ 3.7Å; F232-L234 VanDerWaalsContact C-N 3.29Å; F232-L234 PolarHBondContact O-N 3.05Å; F232-C235 WeakPolarHBondContact CA-SG 3.49Å; F232-C235 HydrophobicContact CB-CB 4.11Å; F232-C235 WeakPolarHBondContact CB-SG 3.43Å; F232-C235 VanDerWaalsContact CD1-SG 3.55Å; F232-C235 WeakPolarHBondContact O-CB 3.33Å; F232-C235 PolarHBondContact O-N 3.3Å; F232-C235 PolarHBondContact O-SG 2.85Å; F232-C235 VanDerWaalsContact O-SG 3.38Å
233	G	62.2	Low	69	Low	11 Å²	11	56.4 Å²	56.4	11%	0.113	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-57.6	-39.3	-175.3	0	0	0	0	0	112.9	H134 D231 C235	H134-G233 CarbonylContact C-O 3.59Å; H134-G233 WeakPolarHBondContact CA-O 3.19Å; H134-G233 WeakPolarHBondContact CB-O 3.45Å; H134-G233 PolarHBondContact CD2-O 2.91Å; H134-G233 VanDerWaalsContact CD2-O 3.28Å; D231-G233 PolarHBondContact O-N 3.43Å; D231-G233 VanDerWaalsContact O-N 3.16Å; G233-C235 VanDerWaalsContact C-N 3.31Å
234	L	57.8	Low	67.2	Low	20 Å²	20	55 Å²	55	11%	0.105	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-88.1	-2.3	178.1	-58.5	-175.8	0	0	0	113.8	R212 D213 F232 T236 R243	R212-L234 HydrophobicContact CB-CB 4.36Å; R212-L234 VanDerWaalsContact CD-O 3.28Å; R212-L234 WeakPolarHBondContact CD-O 2.85Å; D213-L234 HydrophobicContact CB-CB 4.31Å; D213-L234 HydrophobicContact CB-CD1 3.74Å; D213-L234 HydrophobicContact CB-CG 4.28Å; F232-L234 VanDerWaalsContact C-N 3.29Å; F232-L234 PolarHBondContact O-N 3.05Å; L234-T236 PolarHBondContact O-N 3.09Å; L234-R243 VanDerWaalsContact CD1-NH2 3.3Å
235	C	58.1	Low	65.5	Low	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.			trans	-64.5	131.2	177.5	-58.4	0	0	0	0	108.4	A137 I141 I210 H211 F232 G233	A137-C235 WeakPolarHBondContact CB-O 3.41Å; I141-C235 HydrophobicContact CD1-CB 3.19Å; I210-C235 VanDerWaalsContact O-CA 3.3Å; I210-C235 WeakPolarHBondContact O-CA 3.06Å; I210-C235 WeakPolarHBondContact O-CB 3.32Å; H211-C235 WeakPolarHBondContact CA-SG 3.43Å; H211-C235 PolarHBondContact O-SG 2.95Å; F232-C235 WeakPolarHBondContact CA-SG 3.49Å; F232-C235 HydrophobicContact CB-CB 4.11Å; F232-C235 WeakPolarHBondContact CB-SG 3.43Å; F232-C235 VanDerWaalsContact CD1-SG 3.55Å; F232-C235 WeakPolarHBondContact O-CB 3.33Å; F232-C235 PolarHBondContact O-N 3.3Å; F232-C235 PolarHBondContact O-SG 2.85Å; F232-C235 VanDerWaalsContact O-SG 3.38Å; G233-C235 VanDerWaalsContact C-N 3.31Å
236	T	56.7	Low	63.7	Low	33 Å²	33	59.9 Å²	59.9	20%	0.202	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-135.2	162.3	166	81.8	0	0	0	0	107.5	R212 L234 K239	R212-T236 PolarHBondContact NH1-OG1 3.27Å; R212-T236 PolarHBondContact NH2-OG1 3.14Å; L234-T236 PolarHBondContact O-N 3.09Å; T236-K239 PolarHBondContact OG1-O 2.63Å
237	G	47.3	Very low	62	Low	37 Å²	37	60.8 Å²	60.8	38%	0.381	30%	0.303	S	S	.	.	S	Bend	trans	-57.4	-178.6	160	0	0	0	0	0	111.1	R212 K239	R212-G237 PolarHBondContact NH2-O 2.97Å; G237-K239 PolarHBondContact O-N 3.07Å
238	L	39.1	Very low	60.3	Low	156 Å²	156	67.6 Å²	67.6	82%	0.817	33%	0.329	S	S	*	.	S	Bend	trans	-56.2	15.9	-174.6	-67.2	165.2	0	0	0	117.5	I210	I210-L238 HydrophobicContact CD1-CD2 4.08Å
239	K	32.7	Very low	58.5	Low	174 Å²	174	73.7 Å²	73.7	76%	0.757	36%	0.362	S	S	*	.	S	Bend	trans	-88.8	143.9	176.4	-60.7	-172.6	-178.7	-178.3	0	112	R212 T236 G237	R212-K239 PolarHBondContact NH1-O 3.17Å; R212-K239 PolarHBondContact NH2-O 3.24Å; T236-K239 PolarHBondContact OG1-O 2.63Å; G237-K239 PolarHBondContact O-N 3.07Å
240	K	37.1	Very low	57	Low	145 Å²	145	75.4 Å²	75.4	63%	0.63	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-60.4	139.9	-174.9	-64.2	-173.4	175	-167.2	0	112.7	Q297	K240-Q297 PolarHBondContact NZ-O 3.35Å
241	A	43.5	Very low	55.7	Low	35 Å²	35	78.5 Å²	78.5	29%	0.289	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-86.9	158.1	178.4	0	0	0	0	0	114.5	Y300	A241-Y300 HydrophobicContact CB-CE1 4.07Å; A241-Y300 WeakPolarHBondContact CB-OH 3.41Å
242	H	43.3	Very low	55.2	Low	167 Å²	167	81 Å²	81	77%	0.773	40%	0.4	S	S	*	.	S	Bend	trans	-95.5	6.2	-170.7	-80.7	-106.5	0	0	0	115.9	T244	H242-T244 PolarHBondContact O-N 2.95Å
243	R	54	Low	55.1	Low	118 Å²	118	85.6 Å²	85.6	45%	0.445	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-81	-2.8	-173.6	-82	-170.6	172.4	-179.9	-0.4	115.9	D213 L234 E245	D213-R243 IonicContact OD1-NH1 3.85Å; L234-R243 VanDerWaalsContact CD1-NH2 3.3Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 2.81Å
244	T	56.3	Low	55.5	Low	36 Å²	36	89.3 Å²	89.3	22%	0.221	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-75.5	-12.6	-171.9	-35.8	0	0	0	0	114.2	H242 F246 Y247 R248 F295	H242-T244 PolarHBondContact O-N 2.95Å; T244-F246 PolarHBondContact O-N 3.48Å; T244-Y247 PolarHBondContact O-N 2.94Å; T244-R248 PolarHBondContact O-N 3Å; T244-F295 WeakPolarHBondContact CG2-O 3.41Å
245	E	60.3	Low	56.3	Low	125 Å²	125	89 Å²	89	58%	0.584	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-66.5	-37.8	-171.4	-54.9	-142.5	122.6	0	0	114.1	R243 Y247 R248	R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 2.81Å; E245-Y247 VanDerWaalsContact C-N 3.25Å; E245-Y247 PolarHBondContact O-N 2.98Å; E245-R248 WeakPolarHBondContact O-CB 3.46Å; E245-R248 PolarHBondContact O-N 3.38Å; E245-R248 IonicContact OE1-CZ 2.78Å; E245-R248 VanDerWaalsContact OE1-CZ 3.3Å; E245-R248 IonicContact OE1-NH1 3.46Å; E245-R248 PolarHBondContact OE1-NH1 3.13Å; E245-R248 IonicContact OE1-NH2 2.65Å; E245-R248 PolarHBondContact OE1-NH2 3.28Å
246	F	58.6	Low	57.2	Low	107 Å²	107	92.6 Å²	92.6	47%	0.469	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.4	-178.6	-175.9	-96.5	0	0	0	112.7	T244 V284	T244-F246 PolarHBondContact O-N 3.48Å; F246-V284 HydrophobicContact CZ-CG1 4.47Å
247	Y	60.9	Low	58.1	Low	20 Å²	20	92 Å²	92	8%	0.078	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.4	-176.8	-57.7	-78.7	0	0	0	113.4	T244 E245 N249 L250 P287 F295 Y332	T244-Y247 PolarHBondContact O-N 2.94Å; E245-Y247 VanDerWaalsContact C-N 3.25Å; E245-Y247 PolarHBondContact O-N 2.98Å; Y247-N249 PolarHBondContact O-N 2.73Å; Y247-N249 VanDerWaalsContact O-N 3.09Å; Y247-L250 PolarHBondContact O-N 3.13Å; Y247-P287 WeakPolarHBondContact OH-CG 3.45Å; Y247-F295 AromaticContact CD2-CD1 3.87Å; Y247-F295 HydrophobicContact CD2-CD1 3.87Å; Y247-F295 AromaticContact CD2-CE1 3.64Å; Y247-F295 HydrophobicContact CD2-CE1 3.64Å; Y247-F295 HydrophobicContact CE2-CD1 4.4Å; Y247-F295 AromaticContact CE2-CE1 3.71Å; Y247-F295 HydrophobicContact CE2-CE1 3.71Å; Y247-F295 HydrophobicContact CG-CD1 4.33Å; Y247-F295 HydrophobicContact CG-CE1 4.34Å; Y247-Y332 HydrophobicContact CD1-CD1 4.15Å; Y247-Y332 AromaticContact CD1-CD2 3.68Å; Y247-Y332 HydrophobicContact CD1-CD2 3.68Å; Y247-Y332 HydrophobicContact CD1-CE2 4.27Å; Y247-Y332 AromaticContact CD1-CG 3.6Å; Y247-Y332 HydrophobicContact CD1-CG 3.6Å; Y247-Y332 HydrophobicContact CE1-CD2 4.25Å; Y247-Y332 HydrophobicContact CE1-CG 4.05Å; Y247-Y332 AromaticContact CG-CD2 3.89Å; Y247-Y332 HydrophobicContact CG-CD2 3.89Å; Y247-Y332 HydrophobicContact CG-CE2 4.12Å; Y247-Y332 HydrophobicContact CG-CG 4.26Å
248	R	61.5	Low	59.4	Low	142 Å²	142	96.7 Å²	96.7	54%	0.536	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.4	-173.5	-171.3	-177.4	-75.9	147.8	-4.5	113.6	T244 E245	T244-R248 PolarHBondContact O-N 3Å; E245-R248 WeakPolarHBondContact O-CB 3.46Å; E245-R248 PolarHBondContact O-N 3.38Å; E245-R248 IonicContact OE1-CZ 2.78Å; E245-R248 VanDerWaalsContact OE1-CZ 3.3Å; E245-R248 IonicContact OE1-NH1 3.46Å; E245-R248 PolarHBondContact OE1-NH1 3.13Å; E245-R248 IonicContact OE1-NH2 2.65Å; E245-R248 PolarHBondContact OE1-NH2 3.28Å
249	N	59.8	Low	61	Low	152 Å²	152	93.6 Å²	93.6	81%	0.813	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	3.8	-177.1	-62.5	-18.9	0	0	0	113.5	Y247	Y247-N249 PolarHBondContact O-N 2.73Å; Y247-N249 VanDerWaalsContact O-N 3.09Å
250	L	62.8	Low	63.1	Low	37 Å²	37	85.7 Å²	85.7	19%	0.194	43%	0.434	C	S	.	.			trans	-87.9	122.4	177.6	-91.6	87.5	0	0	0	111.1	Y247 Q329 Y332	Y247-L250 PolarHBondContact O-N 3.13Å; L250-Q329 HydrophobicContact CD1-CG 4.43Å; L250-Q329 HydrophobicContact CD2-CB 3.63Å; L250-Q329 HydrophobicContact CD2-CG 3.62Å; L250-Y332 HydrophobicContact CB-CD1 4.31Å; L250-Y332 HydrophobicContact CB-CE1 3.92Å; L250-Y332 HydrophobicContact CD2-CD1 4.16Å
251	T	63.8	Low	64.9	Low	81 Å²	81	81.9 Å²	81.9	50%	0.497	42%	0.418	S	S	.	.			trans	-66.5	137.8	170	52.4	0	0	0	0	110.7	N253	T251-N253 PolarHBondContact O-N 2.6Å; T251-N253 PolarHBondContact OG1-ND2 3.49Å
252	H	68.8	Low	66.5	Low	104 Å²	104	86.8 Å²	86.8	48%	0.481	44%	0.439	S	S	.	.			trans	-70.9	26.1	177	-60.4	-72.4	0	0	0	114.7	Y332 M336 N337	H252-Y332 AromaticContact CE1-CZ 3.89Å; H252-Y332 PolarHBondContact CE1-OH 3.18Å; H252-Y332 PolarHBondContact ND1-OH 3.2Å; H252-M336 VanDerWaalsContact CE1-CE 3.42Å; H252-M336 WeakPolarHBondContact CE1-CE 3.48Å; H252-N337 PolarHBondContact O-ND2 3.06Å
253	N	72.4	Confident	68.4	Low	98 Å²	98	81.5 Å²	81.5	52%	0.524	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-59.3	149.4	176.6	-66.8	-13	0	0	0	109.9	T251 R333	T251-N253 PolarHBondContact O-N 2.6Å; T251-N253 PolarHBondContact OG1-ND2 3.49Å; N253-R333 WeakPolarHBondContact O-CD 3.37Å; N253-R333 WeakPolarHBondContact O-CG 3.41Å
254	P	70.5	Confident	69.9	Low	88 Å²	88	79.7 Å²	79.7	57%	0.571	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-55.6	150.5	175.8	21.4	-31.7	0	0	0	111.1
255	P	75.6	Confident	71.3	Confident	15 Å²	15	78.3 Å²	78.3	10%	0.097	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-60.4	145.4	-179	25.8	-34.3	0	0	0	111.7	E330 R333 K334 T341	P255-E330 WeakPolarHBondContact CA-OE2 3.1Å; P255-E330 WeakPolarHBondContact CB-OE2 3.17Å; P255-R333 HydrophobicContact CB-CB 4.19Å; P255-K334 HydrophobicContact CB-CG 4.02Å; P255-K334 HydrophobicContact CG-CG 3.9Å; P255-T341 HydrophobicContact CG-CG2 4.2Å
256	S	76	Confident	72.6	Confident	75 Å²	75	79.3 Å²	79.3	52%	0.524	41%	0.409	S	S	.	.			trans	-108	4.8	-173.2	64.9	0	0	0	0	113.9	F258 E330	S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 VanDerWaalsContact O-CD2 3.31Å; S256-F258 WeakPolarHBondContact O-CD2 3.27Å; S256-F258 PolarHBondContact O-N 2.77Å; S256-E330 PolarHBondContact N-OE2 3.19Å; S256-E330 PolarHBondContact OG-OE1 3.03Å
257	D	76.9	Confident	73.9	Confident	20 Å²	20	81 Å²	81	11%	0.107	41%	0.413	C	S	.	.			trans	-84	54.5	-176.5	69.1	-30.6	0	0	0	113.5	S259 F260 Q261 E330 K334	D257-S259 PolarHBondContact O-N 2.7Å; D257-S259 VanDerWaalsContact O-N 3.1Å; D257-F260 HydrophobicContact CB-CB 4.22Å; D257-F260 PolarHBondContact O-N 3.32Å; D257-Q261 WeakPolarHBondContact O-CG 3.45Å; D257-Q261 PolarHBondContact O-N 3.48Å; D257-Q261 WeakPolarHBondContact OD1-CG 3.11Å; D257-Q261 PolarHBondContact OD1-NE2 3.29Å; D257-E330 HydrophobicContact CB-CG 4.27Å; D257-K334 WeakPolarHBondContact OD1-CE 3.38Å; D257-K334 IonicContact OD1-NZ 3.68Å; D257-K334 WeakPolarHBondContact OD2-CE 3.29Å; D257-K334 IonicContact OD2-NZ 2.71Å; D257-K334 PolarHBondContact OD2-NZ 3.26Å
258	F	74.6	Confident	75.1	Confident	135 Å²	135	81.6 Å²	81.6	59%	0.592	42%	0.415	S	S	*	.	H	α-helix	trans	-54.4	-33.2	-176.8	-62.2	-74.4	0	0	0	114.1	S256 N262	S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 VanDerWaalsContact O-CD2 3.31Å; S256-F258 WeakPolarHBondContact O-CD2 3.27Å; S256-F258 PolarHBondContact O-N 2.77Å; F258-N262 WeakPolarHBondContact O-CB 3.25Å; F258-N262 VanDerWaalsContact O-CG 3.3Å; F258-N262 PolarHBondContact O-N 2.94Å; F258-N262 PolarHBondContact O-ND2 3.05Å
259	S	72.6	Confident	76.2	Confident	92 Å²	92	76.1 Å²	76.1	64%	0.643	40%	0.401	S	S	*	.	H	α-helix	trans	-66.4	-44.3	177.4	52.7	0	0	0	0	112.1	D257 M263	D257-S259 PolarHBondContact O-N 2.7Å; D257-S259 VanDerWaalsContact O-N 3.1Å; S259-M263 WeakPolarHBondContact O-CG 3.27Å
260	F	76.7	Confident	77.5	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.035	39%	0.387	C	S	.	.	H	α-helix	trans	-72.4	-41	-179.5	-174	-89.1	0	0	0	111.2	D257 N262 M263 K268 T271 C324 E326	D257-F260 HydrophobicContact CB-CB 4.22Å; D257-F260 PolarHBondContact O-N 3.32Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 3.5Å; F260-M263 HydrophobicContact CD2-SD 4.1Å; F260-M263 WeakPolarHBondContact O-CB 3.17Å; F260-M263 PolarHBondContact O-N 3.27Å; F260-M263 VanDerWaalsContact O-N 3.15Å; F260-K268 HydrophobicContact CE1-CD 4.36Å; F260-K268 HydrophobicContact CE1-CG 4.24Å; F260-K268 HydrophobicContact CZ-CG 4.11Å; F260-K268 WeakPolarHBondContact O-CE 3.4Å; F260-T271 HydrophobicContact CE2-CG2 4.2Å; F260-C324 WeakPolarHBondContact CE1-O 2.92Å; F260-E326 HydrophobicContact CD2-CG 3.98Å; F260-E326 HydrophobicContact CE2-CG 4.44Å
261	Q	73.6	Confident	78.6	Confident	65 Å²	65	74.2 Å²	74.2	30%	0.304	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-41.8	177.9	-69.2	176	17	0	0	112.5	D257 M263 K268	D257-Q261 WeakPolarHBondContact O-CG 3.45Å; D257-Q261 PolarHBondContact O-N 3.48Å; D257-Q261 WeakPolarHBondContact OD1-CG 3.11Å; D257-Q261 PolarHBondContact OD1-NE2 3.29Å; Q261-M263 PolarHBondContact O-N 2.8Å; Q261-K268 PolarHBondContact O-NZ 2.95Å
262	N	77.8	Confident	79.5	Confident	138 Å²	138	71.2 Å²	71.2	74%	0.738	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.1	179.7	-70.9	-34.7	0	0	0	114.2	F258 F260	F258-N262 WeakPolarHBondContact O-CB 3.25Å; F258-N262 VanDerWaalsContact O-CG 3.3Å; F258-N262 PolarHBondContact O-N 2.94Å; F258-N262 PolarHBondContact O-ND2 3.05Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 3.5Å
263	M	83.7	Confident	80.2	Confident	55 Å²	55	69.8 Å²	69.8	27%	0.271	36%	0.361	S	S	.	.	S	Bend	trans	-68.2	141.7	172.3	-63.7	-173.3	114	0	0	110.7	S259 F260 Q261 R267 K268	S259-M263 WeakPolarHBondContact O-CG 3.27Å; F260-M263 HydrophobicContact CD2-SD 4.1Å; F260-M263 WeakPolarHBondContact O-CB 3.17Å; F260-M263 PolarHBondContact O-N 3.27Å; F260-M263 VanDerWaalsContact O-N 3.15Å; Q261-M263 PolarHBondContact O-N 2.8Å; M263-R267 HydrophobicContact CB-CB 4.29Å; M263-R267 HydrophobicContact CE-CB 3.97Å; M263-R267 HydrophobicContact SD-CB 4.37Å; M263-K268 HydrophobicContact CB-CG 3.98Å; M263-K268 VanDerWaalsContact O-CE 3.25Å; M263-K268 WeakPolarHBondContact O-CE 3.47Å; M263-K268 PolarHBondContact O-NZ 3.29Å
264	N	85.2	Confident	80.7	Confident	80 Å²	80	73.2 Å²	73.2	43%	0.428	37%	0.371	S	S	.	.			trans	-63.3	158.9	169.5	67.2	15.1	0	0	0	111.3	K266 R267 K268	N264-K266 VanDerWaalsContact C-N 3.26Å; N264-K266 PolarHBondContact O-N 3.48Å; N264-R267 PolarHBondContact O-N 3.03Å; N264-R267 VanDerWaalsContact OD1-CB 3.26Å; N264-R267 WeakPolarHBondContact OD1-CB 3.39Å; N264-R267 VanDerWaalsContact OD1-CG 3.22Å; N264-R267 WeakPolarHBondContact OD1-CG 2.96Å; N264-R267 PolarHBondContact OD1-N 3.29Å; N264-K268 PolarHBondContact O-N 3.11Å
265	S	86.2	Confident	81.3	Confident	8 Å²	8	71.8 Å²	71.8	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-55.4	-41.9	-176.2	-177.7	0	0	0	0	112.3	R267 K268 A269 Y320 E347 V348	S265-R267 PolarHBondContact O-N 3.21Å; S265-K268 PolarHBondContact O-N 2.9Å; S265-A269 PolarHBondContact O-N 3.42Å; S265-Y320 VanDerWaalsContact O-CE1 3.28Å; S265-Y320 WeakPolarHBondContact O-CE1 3.4Å; S265-Y320 WeakPolarHBondContact OG-CE1 3.43Å; S265-Y320 PolarHBondContact OG-OH 2.79Å; S265-E347 WeakPolarHBondContact CB-OE1 3.35Å; S265-E347 PolarHBondContact N-OE1 3.22Å; S265-V348 WeakPolarHBondContact OG-CG2 3.47Å
266	K	86.4	Confident	81.5	Confident	145 Å²	145	71.6 Å²	71.6	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-58	-46.2	179.1	-171.1	177.2	179.1	179.2	0	113.3	N264 A269 E270	N264-K266 VanDerWaalsContact C-N 3.26Å; N264-K266 PolarHBondContact O-N 3.48Å; K266-A269 PolarHBondContact O-N 3.31Å; K266-E270 VanDerWaalsContact CE-OE1 3.3Å; K266-E270 WeakPolarHBondContact CE-OE1 3.29Å; K266-E270 WeakPolarHBondContact O-CG 3.46Å; K266-E270 PolarHBondContact O-N 3.28Å
267	R	85.9	Confident	81.3	Confident	144 Å²	144	72.8 Å²	72.8	54%	0.543	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-33.9	179.2	-77	178.1	173.9	-169	-1.1	112.6	M263 N264 S265 T271	M263-R267 HydrophobicContact CB-CB 4.29Å; M263-R267 HydrophobicContact CE-CB 3.97Å; M263-R267 HydrophobicContact SD-CB 4.37Å; N264-R267 PolarHBondContact O-N 3.03Å; N264-R267 VanDerWaalsContact OD1-CB 3.26Å; N264-R267 WeakPolarHBondContact OD1-CB 3.39Å; N264-R267 VanDerWaalsContact OD1-CG 3.22Å; N264-R267 WeakPolarHBondContact OD1-CG 2.96Å; N264-R267 PolarHBondContact OD1-N 3.29Å; S265-R267 PolarHBondContact O-N 3.21Å; R267-T271 WeakPolarHBondContact O-CB 3.48Å; R267-T271 PolarHBondContact O-N 3.21Å; R267-T271 PolarHBondContact O-OG1 3.1Å
268	K	86.2	Confident	81.1	Confident	31 Å²	31	78.7 Å²	78.7	14%	0.135	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-47	173.3	-71	177.8	178.8	163	0	110.6	F260 Q261 M263 N264 S265 E270 T271 W272 Y320	F260-K268 HydrophobicContact CE1-CD 4.36Å; F260-K268 HydrophobicContact CE1-CG 4.24Å; F260-K268 HydrophobicContact CZ-CG 4.11Å; F260-K268 WeakPolarHBondContact O-CE 3.4Å; Q261-K268 PolarHBondContact O-NZ 2.95Å; M263-K268 HydrophobicContact CB-CG 3.98Å; M263-K268 VanDerWaalsContact O-CE 3.25Å; M263-K268 WeakPolarHBondContact O-CE 3.47Å; M263-K268 PolarHBondContact O-NZ 3.29Å; N264-K268 PolarHBondContact O-N 3.11Å; S265-K268 PolarHBondContact O-N 2.9Å; K268-E270 PolarHBondContact O-N 3.17Å; K268-T271 PolarHBondContact O-N 2.95Å; K268-W272 VanDerWaalsContact O-CB 3.28Å; K268-W272 WeakPolarHBondContact O-CB 3.5Å; K268-W272 PolarHBondContact O-N 3.02Å; K268-Y320 HydrophobicContact CB-CD1 3.87Å; K268-Y320 HydrophobicContact CB-CD2 4.42Å; K268-Y320 HydrophobicContact CB-CE1 3.65Å; K268-Y320 HydrophobicContact CB-CE2 4.27Å; K268-Y320 HydrophobicContact CB-CG 4.24Å; K268-Y320 HydrophobicContact CD-CE2 4.09Å
269	A	85.6	Confident	80.8	Confident	28 Å²	28	74.3 Å²	74.3	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-58.5	-45.5	175.8	0	0	0	0	0	112.4	S265 K266 T271 W272 K273 Y320	S265-A269 PolarHBondContact O-N 3.42Å; K266-A269 PolarHBondContact O-N 3.31Å; A269-T271 PolarHBondContact O-N 3.22Å; A269-W272 PolarHBondContact O-N 3.29Å; A269-K273 VanDerWaalsContact O-CB 3.29Å; A269-K273 WeakPolarHBondContact O-CB 3.25Å; A269-K273 PolarHBondContact O-N 3.02Å; A269-Y320 HydrophobicContact CB-CD1 3.93Å
270	E	86.3	Confident	80.4	Confident	110 Å²	110	71.6 Å²	71.6	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-44.2	176.8	-73.1	169.4	-175.6	0	0	112.2	K266 K268 K274	K266-E270 VanDerWaalsContact CE-OE1 3.3Å; K266-E270 WeakPolarHBondContact CE-OE1 3.29Å; K266-E270 WeakPolarHBondContact O-CG 3.46Å; K266-E270 PolarHBondContact O-N 3.28Å; K268-E270 PolarHBondContact O-N 3.17Å; E270-K274 WeakPolarHBondContact O-CB 3.28Å; E270-K274 PolarHBondContact O-N 3.48Å
271	T	85.1	Confident	79.8	Confident	39 Å²	39	75.4 Å²	75.4	24%	0.239	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-44.8	178.9	-56.3	0	0	0	0	111.3	F260 R267 K268 A269 K274 N275	F260-T271 HydrophobicContact CE2-CG2 4.2Å; R267-T271 WeakPolarHBondContact O-CB 3.48Å; R267-T271 PolarHBondContact O-N 3.21Å; R267-T271 PolarHBondContact O-OG1 3.1Å; K268-T271 PolarHBondContact O-N 2.95Å; A269-T271 PolarHBondContact O-N 3.22Å; T271-K274 PolarHBondContact O-N 3.28Å; T271-N275 PolarHBondContact O-N 3.01Å; T271-N275 PolarHBondContact O-ND2 2.9Å
272	W	83.5	Confident	79.2	Confident	17 Å²	17	74.6 Å²	74.6	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-56.5	-55.5	175.4	178.6	-117.6	0	0	0	110.9	K268 A269 K274 N275 R276 L279 D288 Y289 E315 P321 C324	K268-W272 VanDerWaalsContact O-CB 3.28Å; K268-W272 WeakPolarHBondContact O-CB 3.5Å; K268-W272 PolarHBondContact O-N 3.02Å; A269-W272 PolarHBondContact O-N 3.29Å; W272-K274 VanDerWaalsContact C-N 3.28Å; W272-K274 PolarHBondContact O-N 3.36Å; W272-N275 PolarHBondContact O-N 3.38Å; W272-N275 VanDerWaalsContact O-N 3.09Å; W272-R276 VanDerWaalsContact CE2-CD 3.4Å; W272-R276 VanDerWaalsContact CZ2-NE 3.31Å; W272-R276 VanDerWaalsContact O-CB 3.3Å; W272-R276 WeakPolarHBondContact O-CB 3.25Å; W272-R276 PolarHBondContact O-N 3.36Å; W272-L279 HydrophobicContact CE3-CD1 4.45Å; W272-L279 HydrophobicContact CH2-CD1 4.47Å; W272-L279 HydrophobicContact CZ3-CD1 3.92Å; W272-D288 HydrophobicContact CH2-CB 4.33Å; W272-D288 VanDerWaalsContact CH2-OD2 3.31Å; W272-D288 WeakPolarHBondContact CH2-OD2 3.42Å; W272-Y289 WeakPolarHBondContact CZ2-OH 3.5Å; W272-E315 PolarHBondContact NE1-OE1 2.78Å; W272-P321 HydrophobicContact CD2-CG 4.36Å; W272-P321 HydrophobicContact CE3-CG 4.46Å; W272-P321 HydrophobicContact CH2-CG 3.4Å; W272-P321 HydrophobicContact CZ2-CG 3.23Å; W272-P321 HydrophobicContact CZ3-CG 4.04Å; W272-C324 HydrophobicContact CD2-CB 4.48Å; W272-C324 HydrophobicContact CE3-CB 3.74Å; W272-C324 HydrophobicContact CZ3-CB 3.79Å
273	K	84.3	Confident	77.9	Confident	75 Å²	75	72 Å²	72	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-40.1	-179.3	-172.6	175.2	-176	167.5	0	112.8	M180 D183 A269	M180-K273 HydrophobicContact CE-CG 4.13Å; M180-K273 WeakPolarHBondContact O-CE 3.49Å; M180-K273 PolarHBondContact O-NZ 2.79Å; D183-K273 IonicContact OD1-NZ 2.65Å; D183-K273 PolarHBondContact OD1-NZ 2.98Å; A269-K273 VanDerWaalsContact O-CB 3.29Å; A269-K273 WeakPolarHBondContact O-CB 3.25Å; A269-K273 PolarHBondContact O-N 3.02Å
274	K	83.1	Confident	76.4	Confident	169 Å²	169	73.2 Å²	73.2	74%	0.735	36%	0.358	S	S	*	.	H	α-helix	trans	-63.3	-40.7	178	-175.9	179.5	176.5	-176.1	0	112.4	E270 T271 W272	E270-K274 WeakPolarHBondContact O-CB 3.28Å; E270-K274 PolarHBondContact O-N 3.48Å; T271-K274 PolarHBondContact O-N 3.28Å; W272-K274 VanDerWaalsContact C-N 3.28Å; W272-K274 PolarHBondContact O-N 3.36Å
275	N	82.2	Confident	75.4	Confident	58 Å²	58	70.5 Å²	70.5	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-91.4	-17.8	-175.3	-63.2	-23.2	0	0	0	112.9	T271 W272 R277 Q278 L279	T271-N275 PolarHBondContact O-N 3.01Å; T271-N275 PolarHBondContact O-ND2 2.9Å; W272-N275 PolarHBondContact O-N 3.38Å; W272-N275 VanDerWaalsContact O-N 3.09Å; N275-R277 VanDerWaalsContact C-N 3.33Å; N275-R277 PolarHBondContact O-N 2.96Å; N275-Q278 PolarHBondContact O-N 3.46Å; N275-L279 HydrophobicContact CB-CD1 4.44Å; N275-L279 WeakPolarHBondContact O-CG 3.24Å; N275-L279 PolarHBondContact O-N 3.48Å
276	R	78.8	Confident	74.5	Confident	12 Å²	12	71.4 Å²	71.4	5%	0.045	35%	0.353	C	S	.	.	H	α-helix	trans	-54.1	-42.3	-170.3	-167	62	174	146.1	15.5	114.2	M176 D217 W272 L279 A280 Y289 E315	M176-R276 HydrophobicContact CE-CB 4.31Å; M176-R276 HydrophobicContact CE-CG 3.6Å; M176-R276 HydrophobicContact CG-CG 4.23Å; M176-R276 HydrophobicContact SD-CG 3.8Å; D217-R276 IonicContact OD1-NH2 3.75Å; W272-R276 VanDerWaalsContact CE2-CD 3.4Å; W272-R276 VanDerWaalsContact CZ2-NE 3.31Å; W272-R276 VanDerWaalsContact O-CB 3.3Å; W272-R276 WeakPolarHBondContact O-CB 3.25Å; W272-R276 PolarHBondContact O-N 3.36Å; R276-L279 PolarHBondContact O-N 3.28Å; R276-A280 PolarHBondContact O-N 3.38Å; R276-Y289 PolarHBondContact NH1-OH 2.72Å; R276-Y289 PolarHBondContact NH2-OH 3.3Å; R276-E315 IonicContact NE-OE1 3.77Å
277	R	72.8	Confident	74.3	Confident	99 Å²	99	64.5 Å²	64.5	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-43.5	178.4	-67.1	-172.5	-176	-153	-6.9	112.5	M176 M180 N275 L279 A280 Y281 D412	M176-R277 HydrophobicContact CE-CG 4.24Å; M180-R277 HydrophobicContact CE-CG 4.02Å; M180-R277 VanDerWaalsContact CE-NE 3.35Å; M180-R277 HydrophobicContact SD-CG 3.85Å; N275-R277 VanDerWaalsContact C-N 3.33Å; N275-R277 PolarHBondContact O-N 2.96Å; R277-L279 VanDerWaalsContact C-N 3.26Å; R277-L279 PolarHBondContact O-N 3.33Å; R277-A280 PolarHBondContact O-N 3.02Å; R277-Y281 HydrophobicContact CB-CE2 4.2Å; R277-Y281 WeakPolarHBondContact O-CD2 3.38Å; R277-Y281 WeakPolarHBondContact O-CE2 3.32Å; R277-Y281 PolarHBondContact O-N 2.9Å; R277-D412 IonicContact CZ-OD1 2.98Å; R277-D412 IonicContact CZ-OD2 3Å; R277-D412 IonicContact NE-OD2 3.36Å; R277-D412 PolarHBondContact NE-OD2 3.41Å; R277-D412 IonicContact NH1-OD1 2.85Å; R277-D412 PolarHBondContact NH1-OD1 3Å; R277-D412 IonicContact NH1-OD2 3.07Å; R277-D412 PolarHBondContact NH1-OD2 3.22Å; R277-D412 VanDerWaalsContact NH1-OD2 3.07Å; R277-D412 IonicContact NH2-OD1 2.65Å; R277-D412 PolarHBondContact NH2-OD1 3.35Å; R277-D412 IonicContact NH2-OD2 3.31Å; R277-D412 PolarHBondContact NH2-OD2 2.98Å
278	Q	71.9	Confident	74.4	Confident	144 Å²	144	57.7 Å²	57.7	67%	0.673	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-36	177.7	-66.2	-177.9	-8.8	0	0	111.1	N275 Y281 S282	N275-Q278 PolarHBondContact O-N 3.46Å; Q278-Y281 PolarHBondContact O-N 3.46Å; Q278-S282 PolarHBondContact O-N 2.99Å
279	L	69.1	Low	74.7	Confident	43 Å²	43	56.8 Å²	56.8	23%	0.225	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-40	175.3	-68.4	174.4	0	0	0	112.4	W272 N275 R276 R277 Y281 S282 T286	W272-L279 HydrophobicContact CE3-CD1 4.45Å; W272-L279 HydrophobicContact CH2-CD1 4.47Å; W272-L279 HydrophobicContact CZ3-CD1 3.92Å; N275-L279 HydrophobicContact CB-CD1 4.44Å; N275-L279 WeakPolarHBondContact O-CG 3.24Å; N275-L279 PolarHBondContact O-N 3.48Å; R276-L279 PolarHBondContact O-N 3.28Å; R277-L279 VanDerWaalsContact C-N 3.26Å; R277-L279 PolarHBondContact O-N 3.33Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 2.99Å; L279-S282 WeakPolarHBondContact O-CB 3.14Å; L279-S282 PolarHBondContact O-N 3.3Å; L279-T286 HydrophobicContact CD1-CG2 4.2Å; L279-T286 HydrophobicContact CD2-CG2 3.49Å; L279-T286 VanDerWaalsContact CD2-CG2 3.49Å; L279-T286 HydrophobicContact CG-CG2 4.43Å
280	A	64.6	Low	74.9	Confident	36 Å²	36	56.9 Å²	56.9	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-33.8	177	0	0	0	0	0	113.2	M176 R276 R277	M176-A280 HydrophobicContact CE-CB 3.82Å; M176-A280 HydrophobicContact SD-CB 4.06Å; R276-A280 PolarHBondContact O-N 3.38Å; R277-A280 PolarHBondContact O-N 3.02Å
281	Y	62.9	Low	75.1	Confident	88 Å²	88	51.6 Å²	51.6	35%	0.345	27%	0.265	S	S	.	.	H	α-helix	trans	-87.3	-6.6	177.5	-52.5	-46.9	0	0	0	114.2	R98 R277 Q278 L279 F414	R98-Y281 HydrophobicContact CB-CD1 4.32Å; R98-Y281 HydrophobicContact CB-CE1 4.38Å; R98-Y281 VanDerWaalsContact O-CD1 3.26Å; R98-Y281 WeakPolarHBondContact O-CD1 3.23Å; R98-Y281 WeakPolarHBondContact O-CE1 3.27Å; R277-Y281 HydrophobicContact CB-CE2 4.2Å; R277-Y281 WeakPolarHBondContact O-CD2 3.38Å; R277-Y281 WeakPolarHBondContact O-CE2 3.32Å; R277-Y281 PolarHBondContact O-N 2.9Å; Q278-Y281 PolarHBondContact O-N 3.46Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 2.99Å; Y281-F414 AromaticContact CE1-CE1 3.59Å; Y281-F414 HydrophobicContact CE1-CE1 3.59Å; Y281-F414 AromaticContact CE1-CZ 3.95Å; Y281-F414 HydrophobicContact CE1-CZ 3.95Å; Y281-F414 HydrophobicContact CE2-CE1 4.38Å; Y281-F414 AromaticContact CZ-CE1 3.44Å; Y281-F414 VanDerWaalsContact CZ-CE1 3.44Å; Y281-F414 AromaticContact CZ-CZ 3.83Å; Y281-F414 WeakPolarHBondContact OH-CE1 3.35Å; Y281-F414 WeakPolarHBondContact OH-CZ 3.46Å
282	S	62.5	Low	75.5	Confident	48 Å²	48	50.1 Å²	50.1	34%	0.336	26%	0.257	S	S	.	.			trans	-73.8	136.3	-178.7	178.9	0	0	0	0	111.5	Q278 L279 V284 G285	Q278-S282 PolarHBondContact O-N 2.99Å; L279-S282 WeakPolarHBondContact O-CB 3.14Å; L279-S282 PolarHBondContact O-N 3.3Å; S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.27Å; S282-V284 PolarHBondContact OG-N 2.77Å; S282-G285 PolarHBondContact O-N 2.84Å; S282-G285 PolarHBondContact OG-N 3.18Å
283	T	49.8	Very low	75.8	Confident	84 Å²	84	50.1 Å²	50.1	52%	0.515	26%	0.257	S	S	.	.	S	Bend	trans	-67.5	-26.6	173.2	48.7	0	0	0	0	113.1	A100	A100-T283 HydrophobicContact CB-CG2 3.8Å
284	V	53	Low	75.9	Confident	80 Å²	80	47.7 Å²	47.7	49%	0.485	25%	0.249	S	C	.	.	S	Bend	trans	-87	-30	-178.4	-175.9	0	0	0	0	110.6	F246 S282	F246-V284 HydrophobicContact CZ-CG1 4.47Å; S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.27Å; S282-V284 PolarHBondContact OG-N 2.77Å
285	G	62.4	Low	75.7	Confident	23 Å²	23	40.4 Å²	40.4	24%	0.237	22%	0.217	C	C	.	.			trans	57.5	-170.3	-172.3	0	0	0	0	0	112.8	S282	S282-G285 PolarHBondContact O-N 2.84Å; S282-G285 PolarHBondContact OG-N 3.18Å
286	T	67.1	Low	75.6	Confident	26 Å²	26	42.2 Å²	42.2	16%	0.16	23%	0.225	C	C	.	.			trans	-122.2	142.9	167.6	41.5	0	0	0	0	109.9	L279 D288 P328	L279-T286 HydrophobicContact CD1-CG2 4.2Å; L279-T286 HydrophobicContact CD2-CG2 3.49Å; L279-T286 VanDerWaalsContact CD2-CG2 3.49Å; L279-T286 HydrophobicContact CG-CG2 4.43Å; T286-D288 WeakPolarHBondContact CB-OD2 3.49Å; T286-D288 PolarHBondContact O-N 3.22Å; T286-D288 PolarHBondContact OG1-OD2 2.92Å; T286-P328 HydrophobicContact CG2-CG 4.07Å
287	P	82.5	Confident	75.1	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.258	C	S	.	.			trans	-77.2	20.6	-174.8	31.4	-34.4	0	0	0	113.9	Y247 Y289 I290 F295 T331	Y247-P287 WeakPolarHBondContact OH-CG 3.45Å; P287-Y289 VanDerWaalsContact C-N 3.27Å; P287-Y289 PolarHBondContact O-N 3.37Å; P287-Y289 VanDerWaalsContact O-N 3.17Å; P287-I290 HydrophobicContact CB-CB 4.44Å; P287-I290 HydrophobicContact CB-CD1 4.04Å; P287-I290 HydrophobicContact CB-CG1 4.42Å; P287-I290 PolarHBondContact O-N 3.01Å; P287-F295 HydrophobicContact CB-CE1 4.38Å; P287-F295 HydrophobicContact CB-CE2 4.47Å; P287-F295 HydrophobicContact CB-CZ 3.61Å; P287-T331 HydrophobicContact CG-CG2 3.77Å
288	D	88.1	Confident	74.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.8	-169.4	-66	-74	0	0	0	113.7	W272 T286 P321 C324 T331	W272-D288 HydrophobicContact CH2-CB 4.33Å; W272-D288 VanDerWaalsContact CH2-OD2 3.31Å; W272-D288 WeakPolarHBondContact CH2-OD2 3.42Å; T286-D288 WeakPolarHBondContact CB-OD2 3.49Å; T286-D288 PolarHBondContact O-N 3.22Å; T286-D288 PolarHBondContact OG1-OD2 2.92Å; D288-P321 HydrophobicContact CB-CB 4.22Å; D288-P321 HydrophobicContact CB-CG 3.94Å; D288-C324 WeakPolarHBondContact OD1-CA 3.39Å; D288-T331 HydrophobicContact CB-CG2 4.48Å; D288-T331 VanDerWaalsContact OD1-CG2 3.31Å; D288-T331 WeakPolarHBondContact OD1-CG2 3.48Å
289	Y	92.6	Very high	74.8	Confident	12 Å²	12	44.3 Å²	44.3	5%	0.047	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.8	-177.1	-51.7	-88.1	0	0	0	112.8	I214 K215 P216 W272 R276 P287 S308 V311 I312 E315 P321	I214-Y289 WeakPolarHBondContact O-CB 3.42Å; K215-Y289 HydrophobicContact CB-CD1 4.29Å; K215-Y289 HydrophobicContact CB-CD2 3.76Å; K215-Y289 HydrophobicContact CB-CE2 4.09Å; K215-Y289 HydrophobicContact CB-CG 3.9Å; P216-Y289 HydrophobicContact CG-CE1 4.13Å; W272-Y289 WeakPolarHBondContact CZ2-OH 3.5Å; R276-Y289 PolarHBondContact NH1-OH 2.72Å; R276-Y289 PolarHBondContact NH2-OH 3.3Å; P287-Y289 VanDerWaalsContact C-N 3.27Å; P287-Y289 PolarHBondContact O-N 3.37Å; P287-Y289 VanDerWaalsContact O-N 3.17Å; Y289-S308 WeakPolarHBondContact O-CA 3.47Å; Y289-S308 WeakPolarHBondContact O-CB 3.32Å; Y289-S308 PolarHBondContact O-OG 2.82Å; Y289-V311 HydrophobicContact CD1-CB 4.02Å; Y289-V311 HydrophobicContact CD1-CG1 3.39Å; Y289-V311 HydrophobicContact CE1-CG1 3.66Å; Y289-V311 HydrophobicContact CG-CG1 4.16Å; Y289-I312 HydrophobicContact CD1-CG1 3.84Å; Y289-I312 HydrophobicContact CE1-CG1 3.9Å; Y289-E315 WeakPolarHBondContact CE1-OE2 3.18Å; Y289-E315 VanDerWaalsContact OH-CD 3.28Å; Y289-E315 PolarHBondContact OH-OE1 2.98Å; Y289-E315 PolarHBondContact OH-OE2 3.46Å; Y289-P321 HydrophobicContact CE1-CB 4.48Å
290	I	89.9	Confident	75.4	Confident	30 Å²	30	44.2 Å²	44.2	15%	0.154	25%	0.251	C	S	.	.			trans	-81	128.4	-172.6	-58	-178.5	0	0	0	109.7	P287 V294 F295 W307 V335	P287-I290 HydrophobicContact CB-CB 4.44Å; P287-I290 HydrophobicContact CB-CD1 4.04Å; P287-I290 HydrophobicContact CB-CG1 4.42Å; P287-I290 PolarHBondContact O-N 3.01Å; I290-V294 HydrophobicContact CG2-CB 3.62Å; I290-V294 HydrophobicContact CG2-CG1 3.75Å; I290-V294 HydrophobicContact CG2-CG2 4.1Å; I290-F295 HydrophobicContact CB-CE2 3.92Å; I290-F295 HydrophobicContact CB-CZ 3.72Å; I290-F295 HydrophobicContact CD1-CZ 4.11Å; I290-F295 HydrophobicContact CG1-CZ 4.5Å; I290-F295 HydrophobicContact CG2-CD2 4.34Å; I290-F295 HydrophobicContact CG2-CE1 4.2Å; I290-F295 HydrophobicContact CG2-CE2 3.52Å; I290-F295 HydrophobicContact CG2-CZ 3.42Å; I290-F295 VanDerWaalsContact CG2-CZ 3.42Å; I290-W307 PolarHBondContact O-NE1 3.2Å; I290-V335 WeakPolarHBondContact O-CG1 3.29Å
291	A	91.9	Very high	76.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.			trans	-65.6	145.2	177.1	0	0	0	0	0	112.2	E293 V294 C304 W307	A291-E293 VanDerWaalsContact C-N 3.27Å; A291-E293 VanDerWaalsContact CB-CD 3.49Å; A291-E293 HydrophobicContact CB-CG 4.46Å; A291-E293 WeakPolarHBondContact CB-OE1 3.44Å; A291-E293 WeakPolarHBondContact CB-OE2 3.46Å; A291-E293 PolarHBondContact O-N 3.41Å; A291-V294 HydrophobicContact CB-CG2 4.15Å; A291-V294 WeakPolarHBondContact O-CB 3.23Å; A291-V294 PolarHBondContact O-N 3.31Å; A291-C304 HydrophobicContact CB-CB 3.85Å; A291-W307 VanDerWaalsContact CA-CD1 3.45Å; A291-W307 HydrophobicContact CB-CB 3.63Å; A291-W307 HydrophobicContact CB-CD2 4.14Å; A291-W307 HydrophobicContact CB-CG 3.58Å
292	P	92.1	Very high	77.9	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-36.8	-175.8	22.6	-33.3	0	0	0	112.7	V294 F295 W307 V335 M336	P292-V294 PolarHBondContact O-N 3.49Å; P292-F295 PolarHBondContact O-N 3.18Å; P292-F295 VanDerWaalsContact O-N 3.12Å; P292-W307 HydrophobicContact CG-CE3 4.33Å; P292-W307 HydrophobicContact CG-CH2 3.95Å; P292-W307 HydrophobicContact CG-CZ2 4.33Å; P292-W307 HydrophobicContact CG-CZ3 3.93Å; P292-V335 HydrophobicContact CB-CG1 4.18Å; P292-M336 HydrophobicContact CB-SD 3.93Å
293	E	90.2	Very high	79.4	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-19.5	179.1	67.7	-88.5	-161.6	0	0	113.9	A291 F295 M296 A365 R368	A291-E293 VanDerWaalsContact C-N 3.27Å; A291-E293 VanDerWaalsContact CB-CD 3.49Å; A291-E293 HydrophobicContact CB-CG 4.46Å; A291-E293 WeakPolarHBondContact CB-OE1 3.44Å; A291-E293 WeakPolarHBondContact CB-OE2 3.46Å; A291-E293 PolarHBondContact O-N 3.41Å; E293-F295 PolarHBondContact O-N 3.31Å; E293-M296 PolarHBondContact O-N 3.01Å; E293-M296 VanDerWaalsContact O-N 3.1Å; E293-A365 HydrophobicContact CG-CB 4.39Å; E293-R368 IonicContact OE1-CZ 2.83Å; E293-R368 IonicContact OE1-NH1 2.93Å; E293-R368 PolarHBondContact OE1-NH1 3.11Å; E293-R368 IonicContact OE1-NH2 2.76Å; E293-R368 PolarHBondContact OE1-NH2 3.02Å; E293-R368 IonicContact OE2-CZ 3.82Å; E293-R368 IonicContact OE2-NH1 3.3Å; E293-R368 IonicContact OE2-NH2 3.91Å; E293-R368 PolarHBondContact OE2-NH2 3.35Å
294	V	85.4	Confident	81.5	Confident	25 Å²	25	40 Å²	40	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-27.4	176.1	178.1	0	0	0	0	110.9	I290 A291 P292 Y300 C304	I290-V294 HydrophobicContact CG2-CB 3.62Å; I290-V294 HydrophobicContact CG2-CG1 3.75Å; I290-V294 HydrophobicContact CG2-CG2 4.1Å; A291-V294 HydrophobicContact CB-CG2 4.15Å; A291-V294 WeakPolarHBondContact O-CB 3.23Å; A291-V294 PolarHBondContact O-N 3.31Å; P292-V294 PolarHBondContact O-N 3.49Å; V294-Y300 HydrophobicContact CB-CD1 4.34Å; V294-Y300 HydrophobicContact CG1-CD1 4.37Å; V294-Y300 HydrophobicContact CG1-CE1 4.09Å; V294-Y300 HydrophobicContact CG2-CD1 4.17Å; V294-Y300 HydrophobicContact CG2-CD2 4.13Å; V294-Y300 HydrophobicContact CG2-CE1 4.45Å; V294-Y300 HydrophobicContact CG2-CE2 4.43Å; V294-Y300 HydrophobicContact CG2-CG 3.99Å; V294-C304 HydrophobicContact CG2-CB 3.87Å
295	F	80.8	Confident	83.6	Confident	16 Å²	16	36.1 Å²	36.1	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-83.4	-15.1	173.7	-57.3	-69.3	0	0	0	112.9	T244 Y247 P287 I290 P292 E293 Y332 V335 M336	T244-F295 WeakPolarHBondContact CG2-O 3.41Å; Y247-F295 AromaticContact CD2-CD1 3.87Å; Y247-F295 HydrophobicContact CD2-CD1 3.87Å; Y247-F295 AromaticContact CD2-CE1 3.64Å; Y247-F295 HydrophobicContact CD2-CE1 3.64Å; Y247-F295 HydrophobicContact CE2-CD1 4.4Å; Y247-F295 AromaticContact CE2-CE1 3.71Å; Y247-F295 HydrophobicContact CE2-CE1 3.71Å; Y247-F295 HydrophobicContact CG-CD1 4.33Å; Y247-F295 HydrophobicContact CG-CE1 4.34Å; P287-F295 HydrophobicContact CB-CE1 4.38Å; P287-F295 HydrophobicContact CB-CE2 4.47Å; P287-F295 HydrophobicContact CB-CZ 3.61Å; I290-F295 HydrophobicContact CB-CE2 3.92Å; I290-F295 HydrophobicContact CB-CZ 3.72Å; I290-F295 HydrophobicContact CD1-CZ 4.11Å; I290-F295 HydrophobicContact CG1-CZ 4.5Å; I290-F295 HydrophobicContact CG2-CD2 4.34Å; I290-F295 HydrophobicContact CG2-CE1 4.2Å; I290-F295 HydrophobicContact CG2-CE2 3.52Å; I290-F295 HydrophobicContact CG2-CZ 3.42Å; I290-F295 VanDerWaalsContact CG2-CZ 3.42Å; P292-F295 PolarHBondContact O-N 3.18Å; P292-F295 VanDerWaalsContact O-N 3.12Å; E293-F295 PolarHBondContact O-N 3.31Å; F295-Y332 HydrophobicContact CB-CE2 3.9Å; F295-Y332 HydrophobicContact CD1-CD2 4.02Å; F295-Y332 AromaticContact CD1-CE2 3.93Å; F295-Y332 HydrophobicContact CD1-CE2 3.93Å; F295-Y332 HydrophobicContact CD2-CD2 4.15Å; F295-Y332 HydrophobicContact CD2-CE2 4.15Å; F295-Y332 HydrophobicContact CE1-CD2 4.19Å; F295-Y332 HydrophobicContact CE2-CD2 4.32Å; F295-Y332 HydrophobicContact CG-CD2 4.01Å; F295-Y332 AromaticContact CG-CE2 3.71Å; F295-Y332 HydrophobicContact CG-CE2 3.71Å; F295-Y332 HydrophobicContact CZ-CD2 4.34Å; F295-V335 HydrophobicContact CE2-CG1 4.14Å; F295-M336 HydrophobicContact CB-CE 3.54Å; F295-M336 HydrophobicContact CB-SD 4.24Å; F295-M336 HydrophobicContact CD2-CE 4.49Å; F295-M336 HydrophobicContact CD2-SD 4.11Å; F295-M336 HydrophobicContact CG-CE 4.39Å
296	M	78.6	Confident	85.3	Confident	96 Å²	96	35.2 Å²	35.2	47%	0.473	18%	0.184	S	C	.	.	S	Bend	trans	-83.3	142.3	-179.4	-63.9	-177.8	157.2	0	0	111.3	E293 T298 M336	E293-M296 PolarHBondContact O-N 3.01Å; E293-M296 VanDerWaalsContact O-N 3.1Å; M296-T298 WeakPolarHBondContact CB-OG1 3.14Å; M296-T298 PolarHBondContact O-N 3.31Å; M296-M336 HydrophobicContact CG-CE 4.28Å
297	Q	68.3	Low	86.7	Confident	158 Å²	158	34 Å²	34	74%	0.738	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.2	179.4	-63.2	-176.1	1.7	0	0	113.6	K240 G299	K240-Q297 PolarHBondContact NZ-O 3.35Å; Q297-G299 PolarHBondContact O-N 3.2Å
298	T	69.9	Low	87.5	Confident	117 Å²	117	34.2 Å²	34.2	72%	0.718	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.6	178.1	48	0	0	0	0	112.6	M296	M296-T298 WeakPolarHBondContact CB-OG1 3.14Å; M296-T298 PolarHBondContact O-N 3.31Å
299	G	69.8	Low	87.9	Confident	24 Å²	24	34.2 Å²	34.2	25%	0.247	18%	0.178	C	C	.	.			trans	88.3	160.5	-175.1	0	0	0	0	0	111.3	Q297	Q297-G299 PolarHBondContact O-N 3.2Å
300	Y	80.7	Confident	88.2	Confident	41 Å²	41	33.6 Å²	33.6	16%	0.161	18%	0.176	C	C	.	.			trans	-136	166.4	-177.9	65.9	-90.5	0	0	0	110.1	R212 A241 V294 C304	R212-Y300 WeakPolarHBondContact CD-OH 3.45Å; R212-Y300 HydrophobicContact CG-CE2 4.06Å; R212-Y300 PolarHBondContact NE-OH 3.36Å; R212-Y300 PolarHBondContact NH1-OH 3.08Å; R212-Y300 VanDerWaalsContact NH1-OH 3.08Å; A241-Y300 HydrophobicContact CB-CE1 4.07Å; A241-Y300 WeakPolarHBondContact CB-OH 3.41Å; V294-Y300 HydrophobicContact CB-CD1 4.34Å; V294-Y300 HydrophobicContact CG1-CD1 4.37Å; V294-Y300 HydrophobicContact CG1-CE1 4.09Å; V294-Y300 HydrophobicContact CG2-CD1 4.17Å; V294-Y300 HydrophobicContact CG2-CD2 4.13Å; V294-Y300 HydrophobicContact CG2-CE1 4.45Å; V294-Y300 HydrophobicContact CG2-CE2 4.43Å; V294-Y300 HydrophobicContact CG2-CG 3.99Å; Y300-C304 HydrophobicContact CD2-CB 4.25Å
301	N	88.6	Confident	88.6	Confident	71 Å²	71	32.2 Å²	32.2	38%	0.38	17%	0.169	S	C	.	.			trans	-127.8	-167.6	-176.7	64.9	20	0	0	0	110.7	L303 C304	N301-L303 PolarHBondContact O-N 2.97Å; N301-L303 VanDerWaalsContact O-N 3.08Å; N301-L303 WeakPolarHBondContact OD1-CB 3.45Å; N301-L303 WeakPolarHBondContact OD1-CG 3.45Å; N301-L303 PolarHBondContact OD1-N 3.15Å; N301-C304 PolarHBondContact O-N 3.01Å; N301-C304 PolarHBondContact O-SG 3.12Å
302	K	91.4	Very high	89	Confident	84 Å²	84	32.2 Å²	32.2	37%	0.365	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.7	-178.3	70.7	177.8	-175.4	166.1	0	114.6	H205 I210 C304 D305	H205-K302 HydrophobicContact CB-CD 4.19Å; H205-K302 PolarHBondContact CE1-O 3.32Å; I210-K302 HydrophobicContact CD1-CB 4.16Å; I210-K302 HydrophobicContact CG1-CB 3.89Å; K302-C304 PolarHBondContact O-N 3.28Å; K302-D305 PolarHBondContact O-N 3.09Å
303	L	94.9	Very high	89.3	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.042	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.4	-177	-52.4	178.9	0	0	0	113.3	N301 D305 W306 W307 A365 R368 G370 A371	N301-L303 PolarHBondContact O-N 2.97Å; N301-L303 VanDerWaalsContact O-N 3.08Å; N301-L303 WeakPolarHBondContact OD1-CB 3.45Å; N301-L303 WeakPolarHBondContact OD1-CG 3.45Å; N301-L303 PolarHBondContact OD1-N 3.15Å; L303-D305 PolarHBondContact O-N 3.03Å; L303-W306 WeakPolarHBondContact O-CB 3.32Å; L303-W306 PolarHBondContact O-N 3.23Å; L303-W306 VanDerWaalsContact O-N 3.13Å; L303-W307 PolarHBondContact O-N 3.3Å; L303-A365 WeakPolarHBondContact CD1-O 3.2Å; L303-R368 WeakPolarHBondContact O-CD 3.46Å; L303-R368 PolarHBondContact O-NH1 3Å; L303-G370 VanDerWaalsContact CD2-O 3.25Å; L303-G370 WeakPolarHBondContact CD2-O 3.31Å; L303-A371 HydrophobicContact CD1-CB 3.84Å
304	C	93.8	Very high	89.7	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.02	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-28.5	174.4	63.6	0	0	0	0	112.8	A291 V294 Y300 N301 K302 W306 W307 S308	A291-C304 HydrophobicContact CB-CB 3.85Å; V294-C304 HydrophobicContact CG2-CB 3.87Å; Y300-C304 HydrophobicContact CD2-CB 4.25Å; N301-C304 PolarHBondContact O-N 3.01Å; N301-C304 PolarHBondContact O-SG 3.12Å; K302-C304 PolarHBondContact O-N 3.28Å; C304-W306 VanDerWaalsContact C-N 3.32Å; C304-W307 PolarHBondContact O-N 2.78Å; C304-S308 PolarHBondContact O-N 3.04Å; C304-S308 PolarHBondContact O-OG 3.4Å
305	D	95.9	Very high	90.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-32.7	175.9	-66.2	-24.5	0	0	0	111.2	I201 H205 I210 H211 R212 I214 K302 L303 S308 L309	I201-D305 HydrophobicContact CD1-CB 4.47Å; I201-D305 HydrophobicContact CG2-CB 3.87Å; H205-D305 IonicContact CD2-OD2 3.49Å; H205-D305 IonicContact CE1-OD2 3Å; H205-D305 IonicContact NE2-OD2 3.67Å; H205-D305 PolarHBondContact NE2-OD2 3.44Å; I210-D305 WeakPolarHBondContact CG2-OD2 3.02Å; H211-D305 PolarHBondContact N-OD2 3.5Å; R212-D305 WeakPolarHBondContact CA-OD1 3.32Å; R212-D305 PolarHBondContact N-OD1 2.73Å; I214-D305 HydrophobicContact CG1-CB 4.08Å; K302-D305 PolarHBondContact O-N 3.09Å; L303-D305 PolarHBondContact O-N 3.03Å; D305-S308 WeakPolarHBondContact O-CB 3.29Å; D305-S308 PolarHBondContact O-N 3.24Å; D305-L309 PolarHBondContact O-N 3.21Å
306	W	98.2	Very high	91.1	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-70.2	-34.8	175.8	-58.6	140.7	0	0	0	113.2	V198 I201 D202 L303 C304 S308 L309 G310 Y361 R368 V374 I377	V198-W306 HydrophobicContact CB-CZ3 4.43Å; V198-W306 HydrophobicContact CG1-CH2 4.27Å; V198-W306 HydrophobicContact CG1-CZ3 4.41Å; V198-W306 HydrophobicContact CG2-CZ3 4.31Å; I201-W306 HydrophobicContact CB-CE3 4.46Å; I201-W306 HydrophobicContact CB-CH2 3.65Å; I201-W306 HydrophobicContact CB-CZ3 3.59Å; I201-W306 HydrophobicContact CD1-CE3 4.19Å; I201-W306 HydrophobicContact CD1-CZ3 3.88Å; I201-W306 HydrophobicContact CG1-CZ3 4.33Å; I201-W306 HydrophobicContact CG2-CD2 4.42Å; I201-W306 HydrophobicContact CG2-CE3 4.01Å; I201-W306 HydrophobicContact CG2-CH2 3.42Å; I201-W306 VanDerWaalsContact CG2-CH2 3.42Å; I201-W306 HydrophobicContact CG2-CZ2 3.89Å; I201-W306 HydrophobicContact CG2-CZ3 3.49Å; I201-W306 VanDerWaalsContact CG2-CZ3 3.49Å; D202-W306 HydrophobicContact CB-CH2 4.35Å; L303-W306 WeakPolarHBondContact O-CB 3.32Å; L303-W306 PolarHBondContact O-N 3.23Å; L303-W306 VanDerWaalsContact O-N 3.13Å; C304-W306 VanDerWaalsContact C-N 3.32Å; W306-S308 VanDerWaalsContact C-N 3.34Å; W306-L309 HydrophobicContact CE3-CD2 3.93Å; W306-L309 HydrophobicContact CZ3-CD2 4Å; W306-L309 PolarHBondContact O-N 3.22Å; W306-G310 PolarHBondContact O-N 3.4Å; W306-G310 VanDerWaalsContact O-N 3.08Å; W306-Y361 HydrophobicContact CB-CD1 4.04Å; W306-Y361 HydrophobicContact CB-CE1 4.27Å; W306-Y361 VanDerWaalsContact O-CD1 3.26Å; W306-Y361 WeakPolarHBondContact O-CD1 3.43Å; W306-R368 HydrophobicContact CB-CG 4.48Å; W306-V374 HydrophobicContact CH2-CG2 4.39Å; W306-V374 HydrophobicContact CZ2-CG2 4.37Å; W306-I377 HydrophobicContact CD2-CD1 3.67Å; W306-I377 HydrophobicContact CE3-CD1 3.86Å; W306-I377 HydrophobicContact CG-CD1 4.19Å; W306-I377 HydrophobicContact CH2-CD1 4.15Å; W306-I377 HydrophobicContact CZ2-CD1 3.95Å; W306-I377 HydrophobicContact CZ3-CD1 4.1Å
307	W	98.1	Very high	92	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-48.9	169.7	174.3	-80	0	0	0	110.8	I290 A291 P292 L303 C304 L309 G310 V311 F323 V335 W338 C362	I290-W307 PolarHBondContact O-NE1 3.2Å; A291-W307 VanDerWaalsContact CA-CD1 3.45Å; A291-W307 HydrophobicContact CB-CB 3.63Å; A291-W307 HydrophobicContact CB-CD2 4.14Å; A291-W307 HydrophobicContact CB-CG 3.58Å; P292-W307 HydrophobicContact CG-CE3 4.33Å; P292-W307 HydrophobicContact CG-CH2 3.95Å; P292-W307 HydrophobicContact CG-CZ2 4.33Å; P292-W307 HydrophobicContact CG-CZ3 3.93Å; L303-W307 PolarHBondContact O-N 3.3Å; C304-W307 PolarHBondContact O-N 2.78Å; W307-L309 PolarHBondContact O-N 2.7Å; W307-G310 PolarHBondContact O-N 2.94Å; W307-V311 PolarHBondContact O-N 3.04Å; W307-F323 HydrophobicContact CH2-CE2 4.41Å; W307-F323 HydrophobicContact CH2-CZ 4.21Å; W307-F323 AromaticContact CZ2-CE2 3.49Å; W307-F323 HydrophobicContact CZ2-CE2 3.49Å; W307-F323 VanDerWaalsContact CZ2-CE2 3.49Å; W307-F323 AromaticContact CZ2-CZ 3.71Å; W307-F323 HydrophobicContact CZ2-CZ 3.71Å; W307-V335 HydrophobicContact CZ2-CG1 4.48Å; W307-W338 HydrophobicContact CH2-CB 3.76Å; W307-W338 AromaticContact CH2-CD1 3.79Å; W307-W338 HydrophobicContact CH2-CD2 4.05Å; W307-W338 AromaticContact CH2-CG 3.59Å; W307-W338 HydrophobicContact CH2-CG 3.59Å; W307-W338 HydrophobicContact CZ2-CB 4.37Å; W307-W338 HydrophobicContact CZ3-CD2 4.36Å; W307-W338 HydrophobicContact CZ3-CG 4.31Å; W307-C362 HydrophobicContact CE3-CB 4.26Å; W307-C362 HydrophobicContact CH2-CB 4.24Å; W307-C362 HydrophobicContact CZ3-CB 4.09Å
308	S	97.4	Very high	93.4	Very high	6 Å²	6	18.5 Å²	18.5	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-57.4	-40.7	179.6	-50.3	0	0	0	0	111	I214 Y289 C304 D305 W306 V311 I312	I214-S308 WeakPolarHBondContact O-CB 3.32Å; Y289-S308 WeakPolarHBondContact O-CA 3.47Å; Y289-S308 WeakPolarHBondContact O-CB 3.32Å; Y289-S308 PolarHBondContact O-OG 2.82Å; C304-S308 PolarHBondContact O-N 3.04Å; C304-S308 PolarHBondContact O-OG 3.4Å; D305-S308 WeakPolarHBondContact O-CB 3.29Å; D305-S308 PolarHBondContact O-N 3.24Å; W306-S308 VanDerWaalsContact C-N 3.34Å; S308-V311 WeakPolarHBondContact O-CB 3.32Å; S308-V311 PolarHBondContact O-N 3.35Å; S308-I312 WeakPolarHBondContact O-CG1 3.48Å; S308-I312 PolarHBondContact O-N 3Å
309	L	98.6	Very high	94.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.2	-39.4	175.5	-173.5	59.9	0	0	0	112.9	I194 T197 V198 I201 D305 W306 W307 V311 I312 M313 Y361	I194-L309 HydrophobicContact CD1-CD1 3.57Å; I194-L309 HydrophobicContact CD1-CG 4.25Å; I194-L309 HydrophobicContact CG2-CD1 4.33Å; I194-L309 HydrophobicContact CG2-CD2 4.19Å; I194-L309 HydrophobicContact CG2-CG 4.25Å; T197-L309 HydrophobicContact CG2-CD1 3.57Å; V198-L309 HydrophobicContact CG2-CD2 3.57Å; I201-L309 HydrophobicContact CD1-CB 4.37Å; I201-L309 HydrophobicContact CD1-CD2 4.3Å; D305-L309 PolarHBondContact O-N 3.21Å; W306-L309 HydrophobicContact CE3-CD2 3.93Å; W306-L309 HydrophobicContact CZ3-CD2 4Å; W306-L309 PolarHBondContact O-N 3.22Å; W307-L309 PolarHBondContact O-N 2.7Å; L309-V311 VanDerWaalsContact C-N 3.33Å; L309-V311 PolarHBondContact O-N 3.41Å; L309-I312 PolarHBondContact O-N 2.93Å; L309-M313 WeakPolarHBondContact O-CB 3.42Å; L309-M313 PolarHBondContact O-N 3.09Å; L309-Y361 HydrophobicContact CD2-CE1 4.34Å
310	G	98.6	Very high	95.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.1	-39.3	173	0	0	0	0	0	113	W306 W307 M313 Y314	W306-G310 PolarHBondContact O-N 3.4Å; W306-G310 VanDerWaalsContact O-N 3.08Å; W307-G310 PolarHBondContact O-N 2.94Å; G310-M313 PolarHBondContact O-N 3.04Å; G310-Y314 PolarHBondContact O-N 3.29Å
311	V	98.5	Very high	96.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.8	-43.5	173.6	171.6	0	0	0	0	111.5	Y289 W307 S308 L309 Y314 E315 P321 P322 F323	Y289-V311 HydrophobicContact CD1-CB 4.02Å; Y289-V311 HydrophobicContact CD1-CG1 3.39Å; Y289-V311 HydrophobicContact CE1-CG1 3.66Å; Y289-V311 HydrophobicContact CG-CG1 4.16Å; W307-V311 PolarHBondContact O-N 3.04Å; S308-V311 WeakPolarHBondContact O-CB 3.32Å; S308-V311 PolarHBondContact O-N 3.35Å; L309-V311 VanDerWaalsContact C-N 3.33Å; L309-V311 PolarHBondContact O-N 3.41Å; V311-Y314 PolarHBondContact O-N 3.03Å; V311-E315 PolarHBondContact O-N 3.27Å; V311-P321 HydrophobicContact CG1-CB 3.6Å; V311-P322 HydrophobicContact CG2-CG 4.35Å; V311-F323 HydrophobicContact CG2-CD2 4.42Å; V311-F323 HydrophobicContact CG2-CE2 4.05Å
312	I	98.4	Very high	96.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.9	-43.8	175.3	-67.3	173.3	0	0	0	110.8	I194 I214 P216 L219 Y289 S308 L309 Y314 E315 M316	I194-I312 HydrophobicContact CD1-CG2 4.31Å; I214-I312 HydrophobicContact CG2-CD1 3.59Å; P216-I312 HydrophobicContact CG-CG1 4.17Å; L219-I312 HydrophobicContact CD1-CD1 3.99Å; L219-I312 HydrophobicContact CD1-CG2 4.47Å; Y289-I312 HydrophobicContact CD1-CG1 3.84Å; Y289-I312 HydrophobicContact CE1-CG1 3.9Å; S308-I312 WeakPolarHBondContact O-CG1 3.48Å; S308-I312 PolarHBondContact O-N 3Å; L309-I312 PolarHBondContact O-N 2.93Å; I312-Y314 VanDerWaalsContact C-N 3.31Å; I312-Y314 PolarHBondContact O-N 3.18Å; I312-E315 PolarHBondContact O-N 2.74Å; I312-E315 VanDerWaalsContact O-N 3.15Å; I312-M316 HydrophobicContact CG2-CE 3.65Å; I312-M316 HydrophobicContact CG2-CG 4.28Å; I312-M316 HydrophobicContact CG2-SD 4.11Å; I312-M316 WeakPolarHBondContact O-CG 3.46Å; I312-M316 PolarHBondContact O-N 2.58Å
313	M	98.8	Very high	97.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60	-41.9	177.6	-176.2	176.4	171.4	0	0	111.7	T190 I194 L309 G310 M316 L317 A354 L357 I358 Y361 F382	T190-M313 HydrophobicContact CG2-CG 3.93Å; I194-M313 HydrophobicContact CD1-CB 3.72Å; I194-M313 HydrophobicContact CD1-CG 4.32Å; I194-M313 HydrophobicContact CG1-CB 4.05Å; I194-M313 HydrophobicContact CG1-CG 4.09Å; L309-M313 WeakPolarHBondContact O-CB 3.42Å; L309-M313 PolarHBondContact O-N 3.09Å; G310-M313 PolarHBondContact O-N 3.04Å; M313-M316 PolarHBondContact O-N 2.72Å; M313-L317 HydrophobicContact CE-CD1 4.1Å; M313-L317 HydrophobicContact CG-CD1 4.29Å; M313-L317 WeakPolarHBondContact O-CG 3.22Å; M313-L317 PolarHBondContact O-N 2.72Å; M313-A354 HydrophobicContact CE-CB 3.91Å; M313-L357 HydrophobicContact CE-CB 4.15Å; M313-L357 HydrophobicContact CE-CD2 3.94Å; M313-L357 HydrophobicContact CE-CG 4.33Å; M313-L357 HydrophobicContact SD-CB 4.24Å; M313-L357 HydrophobicContact SD-CD2 3.67Å; M313-L357 HydrophobicContact SD-CG 3.89Å; M313-I358 HydrophobicContact CB-CG1 4.17Å; M313-I358 HydrophobicContact CE-CD1 4.46Å; M313-I358 HydrophobicContact CE-CG1 4.17Å; M313-I358 HydrophobicContact CG-CD1 4.14Å; M313-I358 HydrophobicContact CG-CG1 3.84Å; M313-I358 HydrophobicContact SD-CG1 3.82Å; M313-Y361 HydrophobicContact SD-CE2 4.43Å; M313-F382 HydrophobicContact CE-CD1 3.91Å; M313-F382 HydrophobicContact CE-CD2 4.1Å; M313-F382 HydrophobicContact CE-CE1 3.55Å; M313-F382 HydrophobicContact CE-CE2 3.79Å; M313-F382 HydrophobicContact CE-CG 4.16Å; M313-F382 HydrophobicContact CE-CZ 3.51Å; M313-F382 HydrophobicContact SD-CE1 4.4Å
314	Y	98.7	Very high	96.8	Very high	4 Å²	4	3.9 Å²	3.9	2%	0.016	2%	0.024	C	C	.	.	H	α-helix	trans	-61.7	-47.1	173.3	-174.9	-73.9	0	0	0	111	G310 V311 I312 M316 L317 I318 Y320 P322 L342 V343 F344 I358	G310-Y314 PolarHBondContact O-N 3.29Å; V311-Y314 PolarHBondContact O-N 3.03Å; I312-Y314 VanDerWaalsContact C-N 3.31Å; I312-Y314 PolarHBondContact O-N 3.18Å; Y314-M316 VanDerWaalsContact C-N 3.35Å; Y314-M316 PolarHBondContact O-N 2.8Å; Y314-L317 PolarHBondContact O-N 3.36Å; Y314-I318 HydrophobicContact CD1-CB 3.86Å; Y314-I318 HydrophobicContact CD1-CG1 3.77Å; Y314-I318 HydrophobicContact CD1-CG2 4.43Å; Y314-I318 HydrophobicContact CD2-CG1 4.14Å; Y314-I318 HydrophobicContact CE1-CB 3.57Å; Y314-I318 HydrophobicContact CE1-CG1 3.6Å; Y314-I318 HydrophobicContact CE1-CG2 3.65Å; Y314-I318 HydrophobicContact CE2-CG1 4.02Å; Y314-I318 HydrophobicContact CG-CG1 4.04Å; Y314-I318 VanDerWaalsContact O-CB 3.28Å; Y314-I318 WeakPolarHBondContact O-CB 3.44Å; Y314-I318 VanDerWaalsContact O-CG1 3.3Å; Y314-I318 WeakPolarHBondContact O-CG1 3.18Å; Y314-I318 PolarHBondContact O-N 3.46Å; Y314-Y320 WeakPolarHBondContact CD1-O 3.36Å; Y314-Y320 HydrophobicContact CE1-CD2 4.37Å; Y314-Y320 HydrophobicContact CE1-CE2 4.17Å; Y314-Y320 VanDerWaalsContact CE1-O 3.27Å; Y314-Y320 WeakPolarHBondContact CE1-O 3.5Å; Y314-P322 HydrophobicContact CD1-CB 3.93Å; Y314-P322 HydrophobicContact CD1-CG 4.2Å; Y314-P322 HydrophobicContact CD2-CB 4.01Å; Y314-P322 HydrophobicContact CD2-CG 4.39Å; Y314-P322 HydrophobicContact CE1-CB 3.88Å; Y314-P322 HydrophobicContact CE2-CB 3.93Å; Y314-P322 HydrophobicContact CG-CB 4.01Å; Y314-P322 HydrophobicContact CG-CG 4.09Å; Y314-L342 HydrophobicContact CD2-CD1 4.27Å; Y314-L342 HydrophobicContact CE2-CD1 4.3Å; Y314-V343 PolarHBondContact OH-O 3.34Å; Y314-F344 HydrophobicContact CD2-CD1 4.14Å; Y314-F344 AromaticContact CD2-CE1 3.79Å; Y314-F344 HydrophobicContact CD2-CE1 3.79Å; Y314-F344 AromaticContact CE2-CD1 3.76Å; Y314-F344 HydrophobicContact CE2-CD1 3.76Å; Y314-F344 AromaticContact CE2-CE1 3.86Å; Y314-F344 HydrophobicContact CE2-CE1 3.86Å; Y314-I358 HydrophobicContact CD2-CD1 4.4Å; Y314-I358 HydrophobicContact CD2-CG2 4.2Å
315	E	97.8	Very high	96.5	Very high	7 Å²	7	4.5 Å²	4.5	3%	0.033	3%	0.028	C	C	.	.	H	α-helix	trans	-61.8	-40.4	179	-176.6	178.6	-167.3	0	0	112.6	L179 P216 W272 R276 Y289 V311 I312 L317 G319	L179-E315 HydrophobicContact CD1-CG 4.2Å; P216-E315 WeakPolarHBondContact CG-OE2 3.32Å; W272-E315 PolarHBondContact NE1-OE1 2.78Å; R276-E315 IonicContact NE-OE1 3.77Å; Y289-E315 WeakPolarHBondContact CE1-OE2 3.18Å; Y289-E315 VanDerWaalsContact OH-CD 3.28Å; Y289-E315 PolarHBondContact OH-OE1 2.98Å; Y289-E315 PolarHBondContact OH-OE2 3.46Å; V311-E315 PolarHBondContact O-N 3.27Å; I312-E315 PolarHBondContact O-N 2.74Å; I312-E315 VanDerWaalsContact O-N 3.15Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 2.66Å; E315-G319 WeakPolarHBondContact O-CA 3.45Å; E315-G319 PolarHBondContact O-N 3.04Å
316	M	98.3	Very high	95.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-41.4	176.2	-73.5	176.2	169.8	0	0	111.8	M175 L179 T184 L185 T190 I194 I312 M313 Y314	M175-M316 HydrophobicContact CE-CE 3.85Å; M175-M316 HydrophobicContact CG-CE 3.79Å; M175-M316 HydrophobicContact SD-CE 3.67Å; L179-M316 HydrophobicContact CD1-CG 4.38Å; L179-M316 HydrophobicContact CD2-CB 4.49Å; L179-M316 HydrophobicContact CD2-CG 4.11Å; T184-M316 CarbonylContact C-O 3.55Å; T184-M316 WeakPolarHBondContact CA-O 3.31Å; T184-M316 WeakPolarHBondContact CB-O 3.21Å; L185-M316 HydrophobicContact CB-CB 4.43Å; L185-M316 HydrophobicContact CD1-CB 4.24Å; L185-M316 HydrophobicContact CD1-CE 4.38Å; L185-M316 HydrophobicContact CD1-CG 3.93Å; L185-M316 HydrophobicContact CD1-SD 4.14Å; L185-M316 HydrophobicContact CG-CB 4.43Å; L185-M316 PolarHBondContact N-O 2.94Å; T190-M316 HydrophobicContact CG2-CB 4.08Å; T190-M316 HydrophobicContact CG2-SD 3.99Å; I194-M316 HydrophobicContact CD1-CE 4.46Å; I194-M316 HydrophobicContact CD1-SD 3.85Å; I194-M316 HydrophobicContact CG1-SD 4.09Å; I312-M316 HydrophobicContact CG2-CE 3.65Å; I312-M316 HydrophobicContact CG2-CG 4.28Å; I312-M316 HydrophobicContact CG2-SD 4.11Å; I312-M316 WeakPolarHBondContact O-CG 3.46Å; I312-M316 PolarHBondContact O-N 2.58Å; M313-M316 PolarHBondContact O-N 2.72Å; Y314-M316 VanDerWaalsContact C-N 3.35Å; Y314-M316 PolarHBondContact O-N 2.8Å
317	L	98.3	Very high	95.1	Very high	15 Å²	15	13.6 Å²	13.6	8%	0.079	7%	0.074	C	C	.	.	H	α-helix	trans	-87.5	-33.4	-174.9	-64.4	173.6	0	0	0	113.4	E187 T190 M313 Y314 E315 I350 A354 I358	E187-L317 HydrophobicContact CG-CD2 3.76Å; T190-L317 HydrophobicContact CG2-CD1 4.32Å; T190-L317 HydrophobicContact CG2-CD2 4.07Å; T190-L317 HydrophobicContact CG2-CG 4.03Å; T190-L317 WeakPolarHBondContact OG1-CD2 3.33Å; M313-L317 HydrophobicContact CE-CD1 4.1Å; M313-L317 HydrophobicContact CG-CD1 4.29Å; M313-L317 WeakPolarHBondContact O-CG 3.22Å; M313-L317 PolarHBondContact O-N 2.72Å; Y314-L317 PolarHBondContact O-N 3.36Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 2.66Å; L317-I350 HydrophobicContact CB-CD1 4.32Å; L317-I350 HydrophobicContact CD1-CD1 3.78Å; L317-I350 HydrophobicContact CD1-CG1 4.31Å; L317-A354 HydrophobicContact CD1-CB 3.84Å; L317-I358 HydrophobicContact CD1-CD1 4.24Å
318	I	97.4	Very high	94.3	Very high	6 Å²	6	15 Å²	15	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-103.4	-27.4	-171.9	-52.2	-57.9	0	0	0	112.4	Y314 Y320 P345 V348 I350	Y314-I318 HydrophobicContact CD1-CB 3.86Å; Y314-I318 HydrophobicContact CD1-CG1 3.77Å; Y314-I318 HydrophobicContact CD1-CG2 4.43Å; Y314-I318 HydrophobicContact CD2-CG1 4.14Å; Y314-I318 HydrophobicContact CE1-CB 3.57Å; Y314-I318 HydrophobicContact CE1-CG1 3.6Å; Y314-I318 HydrophobicContact CE1-CG2 3.65Å; Y314-I318 HydrophobicContact CE2-CG1 4.02Å; Y314-I318 HydrophobicContact CG-CG1 4.04Å; Y314-I318 VanDerWaalsContact O-CB 3.28Å; Y314-I318 WeakPolarHBondContact O-CB 3.44Å; Y314-I318 VanDerWaalsContact O-CG1 3.3Å; Y314-I318 WeakPolarHBondContact O-CG1 3.18Å; Y314-I318 PolarHBondContact O-N 3.46Å; I318-Y320 HydrophobicContact CG2-CD1 4.35Å; I318-Y320 HydrophobicContact CG2-CE1 3.82Å; I318-Y320 HydrophobicContact CG2-CE2 4.21Å; I318-P345 HydrophobicContact CG2-CG 3.94Å; I318-V348 HydrophobicContact CD1-CB 4.23Å; I318-V348 HydrophobicContact CD1-CG1 3.61Å; I318-I350 HydrophobicContact CD1-CD1 4.28Å
319	G	95.3	Very high	93.6	Very high	12 Å²	12	17.6 Å²	17.6	12%	0.124	10%	0.095	C	C	.	.	S	Bend	trans	99.3	-1.1	177.5	0	0	0	0	0	115.4	E315	E315-G319 WeakPolarHBondContact O-CA 3.45Å; E315-G319 PolarHBondContact O-N 3.04Å
320	Y	94.5	Very high	93.1	Very high	8 Å²	8	18.3 Å²	18.3	3%	0.031	10%	0.099	C	C	.	.	S	Bend	trans	-155.4	153.6	172.7	54.8	-92.9	0	0	0	109.6	S265 K268 A269 Y314 I318 C324 P345	S265-Y320 VanDerWaalsContact O-CE1 3.28Å; S265-Y320 WeakPolarHBondContact O-CE1 3.4Å; S265-Y320 WeakPolarHBondContact OG-CE1 3.43Å; S265-Y320 PolarHBondContact OG-OH 2.79Å; K268-Y320 HydrophobicContact CB-CD1 3.87Å; K268-Y320 HydrophobicContact CB-CD2 4.42Å; K268-Y320 HydrophobicContact CB-CE1 3.65Å; K268-Y320 HydrophobicContact CB-CE2 4.27Å; K268-Y320 HydrophobicContact CB-CG 4.24Å; K268-Y320 HydrophobicContact CD-CE2 4.09Å; A269-Y320 HydrophobicContact CB-CD1 3.93Å; Y314-Y320 WeakPolarHBondContact CD1-O 3.36Å; Y314-Y320 HydrophobicContact CE1-CD2 4.37Å; Y314-Y320 HydrophobicContact CE1-CE2 4.17Å; Y314-Y320 VanDerWaalsContact CE1-O 3.27Å; Y314-Y320 WeakPolarHBondContact CE1-O 3.5Å; I318-Y320 HydrophobicContact CG2-CD1 4.35Å; I318-Y320 HydrophobicContact CG2-CE1 3.82Å; I318-Y320 HydrophobicContact CG2-CE2 4.21Å; Y320-C324 VanDerWaalsContact CD2-SG 3.56Å; Y320-P345 WeakPolarHBondContact OH-CG 3.43Å
321	P	95.7	Very high	92.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.			trans	-71.5	150.1	177.5	26.9	-29.3	0	0	0	111	W272 D288 Y289 V311 F323 C324	W272-P321 HydrophobicContact CD2-CG 4.36Å; W272-P321 HydrophobicContact CE3-CG 4.46Å; W272-P321 HydrophobicContact CH2-CG 3.4Å; W272-P321 HydrophobicContact CZ2-CG 3.23Å; W272-P321 HydrophobicContact CZ3-CG 4.04Å; D288-P321 HydrophobicContact CB-CB 4.22Å; D288-P321 HydrophobicContact CB-CG 3.94Å; Y289-P321 HydrophobicContact CE1-CB 4.48Å; V311-P321 HydrophobicContact CG1-CB 3.6Å; P321-F323 PolarHBondContact O-N 3.48Å; P321-F323 VanDerWaalsContact O-N 3.09Å; P321-C324 HydrophobicContact CG-CB 4.02Å; P321-C324 PolarHBondContact O-N 2.98Å; P321-C324 VanDerWaalsContact O-N 3.15Å; P321-C324 PolarHBondContact O-SG 3.47Å
322	P	96.5	Very high	92.1	Very high	14 Å²	14	18.8 Å²	18.8	9%	0.091	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.8	-165.8	24.2	-28.8	0	0	0	113.3	V311 Y314 L342	V311-P322 HydrophobicContact CG2-CG 4.35Å; Y314-P322 HydrophobicContact CD1-CB 3.93Å; Y314-P322 HydrophobicContact CD1-CG 4.2Å; Y314-P322 HydrophobicContact CD2-CB 4.01Å; Y314-P322 HydrophobicContact CD2-CG 4.39Å; Y314-P322 HydrophobicContact CE1-CB 3.88Å; Y314-P322 HydrophobicContact CE2-CB 3.93Å; Y314-P322 HydrophobicContact CG-CB 4.01Å; Y314-P322 HydrophobicContact CG-CG 4.09Å; P322-L342 HydrophobicContact CB-CD1 3.48Å; P322-L342 VanDerWaalsContact CB-CD1 3.48Å; P322-L342 HydrophobicContact CG-CD1 3.87Å
323	F	94.7	Very high	91.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.7	-175.6	-46.4	-61.4	0	0	0	113.7	W307 V311 P321 S325 T331 K334 V335 W338 L342	W307-F323 HydrophobicContact CH2-CE2 4.41Å; W307-F323 HydrophobicContact CH2-CZ 4.21Å; W307-F323 AromaticContact CZ2-CE2 3.49Å; W307-F323 HydrophobicContact CZ2-CE2 3.49Å; W307-F323 VanDerWaalsContact CZ2-CE2 3.49Å; W307-F323 AromaticContact CZ2-CZ 3.71Å; W307-F323 HydrophobicContact CZ2-CZ 3.71Å; V311-F323 HydrophobicContact CG2-CD2 4.42Å; V311-F323 HydrophobicContact CG2-CE2 4.05Å; P321-F323 PolarHBondContact O-N 3.48Å; P321-F323 VanDerWaalsContact O-N 3.09Å; F323-S325 PolarHBondContact O-N 2.57Å; F323-S325 PolarHBondContact O-OG 3.04Å; F323-T331 HydrophobicContact CB-CG2 4.39Å; F323-T331 WeakPolarHBondContact O-CG2 3.46Å; F323-K334 HydrophobicContact CB-CB 3.97Å; F323-K334 HydrophobicContact CD1-CB 4.11Å; F323-K334 HydrophobicContact CG-CB 4.47Å; F323-K334 WeakPolarHBondContact O-CD 3.33Å; F323-V335 HydrophobicContact CB-CG2 3.76Å; F323-V335 HydrophobicContact CD2-CG2 3.7Å; F323-V335 HydrophobicContact CE2-CG2 4.49Å; F323-V335 HydrophobicContact CG-CG2 3.76Å; F323-W338 HydrophobicContact CE1-CB 3.84Å; F323-W338 HydrophobicContact CZ-CB 3.88Å; F323-L342 HydrophobicContact CE1-CB 4.03Å; F323-L342 HydrophobicContact CE1-CD1 4.48Å; F323-L342 HydrophobicContact CZ-CB 4.28Å; F323-L342 HydrophobicContact CZ-CD1 4.27Å
324	C	89.9	Confident	91.4	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.027	11%	0.111	C	C	.	.			trans	-55.8	142.9	-177.3	66	0	0	0	0	112.1	F260 W272 D288 Y320 P321 K334	F260-C324 WeakPolarHBondContact CE1-O 2.92Å; W272-C324 HydrophobicContact CD2-CB 4.48Å; W272-C324 HydrophobicContact CE3-CB 3.74Å; W272-C324 HydrophobicContact CZ3-CB 3.79Å; D288-C324 WeakPolarHBondContact OD1-CA 3.39Å; Y320-C324 VanDerWaalsContact CD2-SG 3.56Å; P321-C324 HydrophobicContact CG-CB 4.02Å; P321-C324 PolarHBondContact O-N 2.98Å; P321-C324 VanDerWaalsContact O-N 3.15Å; P321-C324 PolarHBondContact O-SG 3.47Å; C324-K334 PolarHBondContact O-NZ 3.44Å
325	S	87.3	Confident	91.1	Very high	15 Å²	15	21.4 Å²	21.4	11%	0.105	11%	0.11	C	C	.	.			trans	-150.8	169.4	178.6	-48.5	0	0	0	0	109.7	F323 T327 T331 K334	F323-S325 PolarHBondContact O-N 2.57Å; F323-S325 PolarHBondContact O-OG 3.04Å; S325-T327 PolarHBondContact O-N 2.76Å; S325-T331 WeakPolarHBondContact CB-OG1 3.47Å; S325-T331 PolarHBondContact OG-N 3.28Å; S325-K334 WeakPolarHBondContact OG-CD 3.3Å; S325-K334 WeakPolarHBondContact OG-CE 3.28Å; S325-K334 PolarHBondContact OG-NZ 3.11Å
326	E	81.9	Confident	90.7	Very high	140 Å²	140	22.5 Å²	22.5	65%	0.654	12%	0.116	S	C	*	.	S	Bend	trans	-66.7	-24.8	175.2	-64.5	-174	167.7	0	0	113	F260	F260-E326 HydrophobicContact CD2-CG 3.98Å; F260-E326 HydrophobicContact CE2-CG 4.44Å
327	T	82.4	Confident	90.5	Very high	54 Å²	54	24.5 Å²	24.5	33%	0.331	13%	0.127	S	C	.	.	S	Bend	trans	-126.5	147.3	-179	70.9	0	0	0	0	112.4	S325 Q329 E330 T331	S325-T327 PolarHBondContact O-N 2.76Å; T327-Q329 PolarHBondContact O-N 3.26Å; T327-E330 PolarHBondContact O-N 3.19Å; T327-E330 WeakPolarHBondContact OG1-CG 3.16Å; T327-E330 PolarHBondContact OG1-N 2.92Å; T327-T331 PolarHBondContact O-N 3.32Å; T327-T331 VanDerWaalsContact O-N 3.1Å; T327-T331 PolarHBondContact O-OG1 3.3Å
328	P	81.8	Confident	90.4	Very high	29 Å²	29	25.3 Å²	25.3	19%	0.188	13%	0.129	C	C	.	.	H	α-helix	trans	-57.8	-31.5	173.1	-25.6	33.9	0	0	0	113.4	T286 T331 Y332	T286-P328 HydrophobicContact CG2-CG 4.07Å; P328-T331 PolarHBondContact O-N 3.45Å; P328-Y332 WeakPolarHBondContact O-CB 3.17Å; P328-Y332 PolarHBondContact O-N 3.23Å
329	Q	83.2	Confident	90.3	Very high	61 Å²	61	31.8 Å²	31.8	29%	0.285	16%	0.157	S	C	.	.	H	α-helix	trans	-67.6	-43.9	179.9	-67.9	82.6	-1.8	0	0	112.3	L250 T327 Y332 R333	L250-Q329 HydrophobicContact CD1-CG 4.43Å; L250-Q329 HydrophobicContact CD2-CB 3.63Å; L250-Q329 HydrophobicContact CD2-CG 3.62Å; T327-Q329 PolarHBondContact O-N 3.26Å; Q329-Y332 WeakPolarHBondContact O-CB 3.22Å; Q329-Y332 PolarHBondContact O-N 2.74Å; Q329-R333 WeakPolarHBondContact O-CG 3.15Å; Q329-R333 PolarHBondContact O-N 2.7Å
330	E	87.3	Confident	90.3	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-69.2	-39.2	175.2	-69.9	-59.6	145.1	0	0	111.2	P255 S256 D257 T327 Y332 R333 K334	P255-E330 WeakPolarHBondContact CA-OE2 3.1Å; P255-E330 WeakPolarHBondContact CB-OE2 3.17Å; S256-E330 PolarHBondContact N-OE2 3.19Å; S256-E330 PolarHBondContact OG-OE1 3.03Å; D257-E330 HydrophobicContact CB-CG 4.27Å; T327-E330 PolarHBondContact O-N 3.19Å; T327-E330 WeakPolarHBondContact OG1-CG 3.16Å; T327-E330 PolarHBondContact OG1-N 2.92Å; E330-Y332 VanDerWaalsContact C-N 3.31Å; E330-Y332 PolarHBondContact O-N 3.38Å; E330-R333 PolarHBondContact O-N 2.86Å; E330-R333 VanDerWaalsContact O-N 3.11Å; E330-R333 IonicContact OE1-CZ 3.74Å; E330-R333 IonicContact OE1-NH1 2.67Å; E330-R333 PolarHBondContact OE1-NH1 3.03Å; E330-K334 PolarHBondContact O-N 3.49Å
331	T	88.8	Confident	90.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-46.8	173	-52.8	0	0	0	0	110.6	P287 D288 F323 S325 T327 P328 R333 K334 V335	P287-T331 HydrophobicContact CG-CG2 3.77Å; D288-T331 HydrophobicContact CB-CG2 4.48Å; D288-T331 VanDerWaalsContact OD1-CG2 3.31Å; D288-T331 WeakPolarHBondContact OD1-CG2 3.48Å; F323-T331 HydrophobicContact CB-CG2 4.39Å; F323-T331 WeakPolarHBondContact O-CG2 3.46Å; S325-T331 WeakPolarHBondContact CB-OG1 3.47Å; S325-T331 PolarHBondContact OG-N 3.28Å; T327-T331 PolarHBondContact O-N 3.32Å; T327-T331 VanDerWaalsContact O-N 3.1Å; T327-T331 PolarHBondContact O-OG1 3.3Å; P328-T331 PolarHBondContact O-N 3.45Å; T331-R333 PolarHBondContact O-N 2.78Å; T331-K334 PolarHBondContact O-N 2.88Å; T331-V335 WeakPolarHBondContact O-CG2 3.07Å; T331-V335 PolarHBondContact O-N 3.15Å
332	Y	87.3	Confident	90.4	Very high	9 Å²	9	40 Å²	40	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-45.1	173.8	167.2	-97.2	0	0	0	112.7	Y247 L250 H252 F295 P328 Q329 E330 K334 V335 M336	Y247-Y332 HydrophobicContact CD1-CD1 4.15Å; Y247-Y332 AromaticContact CD1-CD2 3.68Å; Y247-Y332 HydrophobicContact CD1-CD2 3.68Å; Y247-Y332 HydrophobicContact CD1-CE2 4.27Å; Y247-Y332 AromaticContact CD1-CG 3.6Å; Y247-Y332 HydrophobicContact CD1-CG 3.6Å; Y247-Y332 HydrophobicContact CE1-CD2 4.25Å; Y247-Y332 HydrophobicContact CE1-CG 4.05Å; Y247-Y332 AromaticContact CG-CD2 3.89Å; Y247-Y332 HydrophobicContact CG-CD2 3.89Å; Y247-Y332 HydrophobicContact CG-CE2 4.12Å; Y247-Y332 HydrophobicContact CG-CG 4.26Å; L250-Y332 HydrophobicContact CB-CD1 4.31Å; L250-Y332 HydrophobicContact CB-CE1 3.92Å; L250-Y332 HydrophobicContact CD2-CD1 4.16Å; H252-Y332 AromaticContact CE1-CZ 3.89Å; H252-Y332 PolarHBondContact CE1-OH 3.18Å; H252-Y332 PolarHBondContact ND1-OH 3.2Å; F295-Y332 HydrophobicContact CB-CE2 3.9Å; F295-Y332 HydrophobicContact CD1-CD2 4.02Å; F295-Y332 AromaticContact CD1-CE2 3.93Å; F295-Y332 HydrophobicContact CD1-CE2 3.93Å; F295-Y332 HydrophobicContact CD2-CD2 4.15Å; F295-Y332 HydrophobicContact CD2-CE2 4.15Å; F295-Y332 HydrophobicContact CE1-CD2 4.19Å; F295-Y332 HydrophobicContact CE2-CD2 4.32Å; F295-Y332 HydrophobicContact CG-CD2 4.01Å; F295-Y332 AromaticContact CG-CE2 3.71Å; F295-Y332 HydrophobicContact CG-CE2 3.71Å; F295-Y332 HydrophobicContact CZ-CD2 4.34Å; P328-Y332 WeakPolarHBondContact O-CB 3.17Å; P328-Y332 PolarHBondContact O-N 3.23Å; Q329-Y332 WeakPolarHBondContact O-CB 3.22Å; Q329-Y332 PolarHBondContact O-N 2.74Å; E330-Y332 VanDerWaalsContact C-N 3.31Å; E330-Y332 PolarHBondContact O-N 3.38Å; Y332-K334 VanDerWaalsContact C-N 3.32Å; Y332-K334 PolarHBondContact O-N 2.97Å; Y332-V335 PolarHBondContact O-N 3.14Å; Y332-M336 HydrophobicContact CD2-CG 4.11Å; Y332-M336 HydrophobicContact CE1-CG 4.24Å; Y332-M336 HydrophobicContact CE2-CE 4.01Å; Y332-M336 HydrophobicContact CE2-CG 3.71Å; Y332-M336 HydrophobicContact CE2-SD 4.25Å; Y332-M336 WeakPolarHBondContact O-CG 3.29Å; Y332-M336 PolarHBondContact O-N 2.88Å
333	R	89.3	Confident	90.4	Very high	45 Å²	45	43.4 Å²	43.4	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-40.4	177.1	-72.2	177	-177.1	116.3	6.3	112	N253 P255 Q329 E330 T331 N337	N253-R333 WeakPolarHBondContact O-CD 3.37Å; N253-R333 WeakPolarHBondContact O-CG 3.41Å; P255-R333 HydrophobicContact CB-CB 4.19Å; Q329-R333 WeakPolarHBondContact O-CG 3.15Å; Q329-R333 PolarHBondContact O-N 2.7Å; E330-R333 PolarHBondContact O-N 2.86Å; E330-R333 VanDerWaalsContact O-N 3.11Å; E330-R333 IonicContact OE1-CZ 3.74Å; E330-R333 IonicContact OE1-NH1 2.67Å; E330-R333 PolarHBondContact OE1-NH1 3.03Å; T331-R333 PolarHBondContact O-N 2.78Å; R333-N337 WeakPolarHBondContact O-CB 3.14Å; R333-N337 PolarHBondContact O-N 2.86Å; R333-N337 VanDerWaalsContact O-N 3.09Å; R333-N337 PolarHBondContact O-ND2 3.48Å
334	K	92.8	Very high	90.4	Very high	14 Å²	14	45.5 Å²	45.5	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-50.4	174.5	-72.2	178.2	-174.9	162.9	0	111.2	P255 D257 F323 C324 S325 E330 T331 Y332 M336 N337 W338 T341	P255-K334 HydrophobicContact CB-CG 4.02Å; P255-K334 HydrophobicContact CG-CG 3.9Å; D257-K334 WeakPolarHBondContact OD1-CE 3.38Å; D257-K334 IonicContact OD1-NZ 3.68Å; D257-K334 WeakPolarHBondContact OD2-CE 3.29Å; D257-K334 IonicContact OD2-NZ 2.71Å; D257-K334 PolarHBondContact OD2-NZ 3.26Å; F323-K334 HydrophobicContact CB-CB 3.97Å; F323-K334 HydrophobicContact CD1-CB 4.11Å; F323-K334 HydrophobicContact CG-CB 4.47Å; F323-K334 WeakPolarHBondContact O-CD 3.33Å; C324-K334 PolarHBondContact O-NZ 3.44Å; S325-K334 WeakPolarHBondContact OG-CD 3.3Å; S325-K334 WeakPolarHBondContact OG-CE 3.28Å; S325-K334 PolarHBondContact OG-NZ 3.11Å; E330-K334 PolarHBondContact O-N 3.49Å; T331-K334 PolarHBondContact O-N 2.88Å; Y332-K334 VanDerWaalsContact C-N 3.32Å; Y332-K334 PolarHBondContact O-N 2.97Å; K334-M336 VanDerWaalsContact C-N 3.31Å; K334-M336 PolarHBondContact O-N 3.21Å; K334-N337 CarbonylContact O-C 3.49Å; K334-N337 WeakPolarHBondContact O-CA 3.45Å; K334-N337 PolarHBondContact O-N 3.41Å; K334-W338 PolarHBondContact O-N 3.38Å; K334-T341 HydrophobicContact CB-CG2 4.35Å; K334-T341 HydrophobicContact CG-CG2 4.14Å; K334-T341 PolarHBondContact O-OG1 3.38Å
335	V	92.1	Very high	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55	-45.2	177.2	171.8	0	0	0	0	111.7	I290 P292 F295 W307 F323 T331 Y332 N337 W338	I290-V335 WeakPolarHBondContact O-CG1 3.29Å; P292-V335 HydrophobicContact CB-CG1 4.18Å; F295-V335 HydrophobicContact CE2-CG1 4.14Å; W307-V335 HydrophobicContact CZ2-CG1 4.48Å; F323-V335 HydrophobicContact CB-CG2 3.76Å; F323-V335 HydrophobicContact CD2-CG2 3.7Å; F323-V335 HydrophobicContact CE2-CG2 4.49Å; F323-V335 HydrophobicContact CG-CG2 3.76Å; T331-V335 WeakPolarHBondContact O-CG2 3.07Å; T331-V335 PolarHBondContact O-N 3.15Å; Y332-V335 PolarHBondContact O-N 3.14Å; V335-N337 VanDerWaalsContact C-N 3.27Å; V335-N337 PolarHBondContact O-N 3.29Å; V335-W338 WeakPolarHBondContact O-CB 3.26Å; V335-W338 PolarHBondContact O-N 2.64Å
336	M	90.8	Very high	90.9	Very high	31 Å²	31	51.5 Å²	51.5	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-70.6	-22.9	179.4	-64.7	-53.3	-118.3	0	0	113.5	H252 P292 F295 M296 Y332 K334	H252-M336 VanDerWaalsContact CE1-CE 3.42Å; H252-M336 WeakPolarHBondContact CE1-CE 3.48Å; P292-M336 HydrophobicContact CB-SD 3.93Å; F295-M336 HydrophobicContact CB-CE 3.54Å; F295-M336 HydrophobicContact CB-SD 4.24Å; F295-M336 HydrophobicContact CD2-CE 4.49Å; F295-M336 HydrophobicContact CD2-SD 4.11Å; F295-M336 HydrophobicContact CG-CE 4.39Å; M296-M336 HydrophobicContact CG-CE 4.28Å; Y332-M336 HydrophobicContact CD2-CG 4.11Å; Y332-M336 HydrophobicContact CE1-CG 4.24Å; Y332-M336 HydrophobicContact CE2-CE 4.01Å; Y332-M336 HydrophobicContact CE2-CG 3.71Å; Y332-M336 HydrophobicContact CE2-SD 4.25Å; Y332-M336 WeakPolarHBondContact O-CG 3.29Å; Y332-M336 PolarHBondContact O-N 2.88Å; K334-M336 VanDerWaalsContact C-N 3.31Å; K334-M336 PolarHBondContact O-N 3.21Å
337	N	93.9	Very high	91.3	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	36.5	176	-63.5	-74.3	0	0	0	111.2	H252 R333 K334 V335 K339 E340 T341	H252-N337 PolarHBondContact O-ND2 3.06Å; R333-N337 WeakPolarHBondContact O-CB 3.14Å; R333-N337 PolarHBondContact O-N 2.86Å; R333-N337 VanDerWaalsContact O-N 3.09Å; R333-N337 PolarHBondContact O-ND2 3.48Å; K334-N337 CarbonylContact O-C 3.49Å; K334-N337 WeakPolarHBondContact O-CA 3.45Å; K334-N337 PolarHBondContact O-N 3.41Å; V335-N337 VanDerWaalsContact C-N 3.27Å; V335-N337 PolarHBondContact O-N 3.29Å; N337-K339 PolarHBondContact O-N 3.45Å; N337-K339 VanDerWaalsContact O-N 3.12Å; N337-E340 PolarHBondContact O-N 3.41Å; N337-T341 HydrophobicContact CB-CG2 4.37Å; N337-T341 WeakPolarHBondContact O-CG2 3.42Å; N337-T341 PolarHBondContact O-N 3.46Å; N337-T341 VanDerWaalsContact O-N 3.07Å; N337-T341 PolarHBondContact O-OG1 2.91Å
338	W	95.6	Very high	91.8	Very high	32 Å²	32	48.6 Å²	48.6	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-29.7	-174	64.3	-95.9	0	0	0	113.5	W307 F323 K334 V335 E340 T341 L342 C362 T363 D364	W307-W338 HydrophobicContact CH2-CB 3.76Å; W307-W338 AromaticContact CH2-CD1 3.79Å; W307-W338 HydrophobicContact CH2-CD2 4.05Å; W307-W338 AromaticContact CH2-CG 3.59Å; W307-W338 HydrophobicContact CH2-CG 3.59Å; W307-W338 HydrophobicContact CZ2-CB 4.37Å; W307-W338 HydrophobicContact CZ3-CD2 4.36Å; W307-W338 HydrophobicContact CZ3-CG 4.31Å; F323-W338 HydrophobicContact CE1-CB 3.84Å; F323-W338 HydrophobicContact CZ-CB 3.88Å; K334-W338 PolarHBondContact O-N 3.38Å; V335-W338 WeakPolarHBondContact O-CB 3.26Å; V335-W338 PolarHBondContact O-N 2.64Å; W338-E340 PolarHBondContact O-N 3.04Å; W338-T341 WeakPolarHBondContact CA-OG1 3.32Å; W338-T341 PolarHBondContact O-N 3.5Å; W338-L342 WeakPolarHBondContact O-CB 3.5Å; W338-L342 PolarHBondContact O-N 3.22Å; W338-C362 VanDerWaalsContact CE3-O 3.28Å; W338-C362 VanDerWaalsContact CZ3-O 3.31Å; W338-C362 WeakPolarHBondContact CZ3-O 3.49Å; W338-T363 WeakPolarHBondContact CH2-OG1 3.49Å; W338-D364 HydrophobicContact CZ2-CB 4.49Å
339	K	95.4	Very high	92.3	Very high	141 Å²	141	53 Å²	53	61%	0.613	28%	0.276	S	S	*	.	H	α-helix	trans	-58.6	-29.5	178	-67.7	-177.9	179.9	178	0	113	N337 D364	N337-K339 PolarHBondContact O-N 3.45Å; N337-K339 VanDerWaalsContact O-N 3.12Å; K339-D364 WeakPolarHBondContact CE-OD2 3.06Å; K339-D364 IonicContact NZ-OD1 2.72Å; K339-D364 IonicContact NZ-OD2 3.08Å; K339-D364 PolarHBondContact NZ-OD2 3.04Å
340	E	94.5	Very high	93	Very high	150 Å²	150	51.1 Å²	51.1	70%	0.701	27%	0.268	S	S	*	.	H	α-helix	trans	-103.5	-27.3	178.7	-63.8	179.8	-173.1	0	0	112.4	N337 W338	N337-E340 PolarHBondContact O-N 3.41Å; W338-E340 PolarHBondContact O-N 3.04Å
341	T	95.8	Very high	93.5	Very high	24 Å²	24	52.1 Å²	52.1	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-101.7	-15.8	-169.7	60	0	0	0	0	114.4	P255 K334 N337 W338 V343	P255-T341 HydrophobicContact CG-CG2 4.2Å; K334-T341 HydrophobicContact CB-CG2 4.35Å; K334-T341 HydrophobicContact CG-CG2 4.14Å; K334-T341 PolarHBondContact O-OG1 3.38Å; N337-T341 HydrophobicContact CB-CG2 4.37Å; N337-T341 WeakPolarHBondContact O-CG2 3.42Å; N337-T341 PolarHBondContact O-N 3.46Å; N337-T341 VanDerWaalsContact O-N 3.07Å; N337-T341 PolarHBondContact O-OG1 2.91Å; W338-T341 WeakPolarHBondContact CA-OG1 3.32Å; W338-T341 PolarHBondContact O-N 3.5Å; T341-V343 PolarHBondContact O-N 3.26Å
342	L	97.2	Very high	93.9	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	31%	0.306	C	S	.	.			trans	-76.1	92.1	170.5	-179.3	58.1	0	0	0	109.4	Y314 P322 F323 W338 L359 C362	Y314-L342 HydrophobicContact CD2-CD1 4.27Å; Y314-L342 HydrophobicContact CE2-CD1 4.3Å; P322-L342 HydrophobicContact CB-CD1 3.48Å; P322-L342 VanDerWaalsContact CB-CD1 3.48Å; P322-L342 HydrophobicContact CG-CD1 3.87Å; F323-L342 HydrophobicContact CE1-CB 4.03Å; F323-L342 HydrophobicContact CE1-CD1 4.48Å; F323-L342 HydrophobicContact CZ-CB 4.28Å; F323-L342 HydrophobicContact CZ-CD1 4.27Å; W338-L342 WeakPolarHBondContact O-CB 3.5Å; W338-L342 PolarHBondContact O-N 3.22Å; L342-L359 HydrophobicContact CD2-CD2 3.8Å; L342-L359 HydrophobicContact CG-CD2 4.3Å; L342-C362 HydrophobicContact CD2-CB 3.56Å
343	V	95.8	Very high	94.5	Very high	86 Å²	86	62.3 Å²	62.3	52%	0.521	32%	0.323	S	S	.	.			trans	-123.4	143.6	-177.8	-63.5	0	0	0	0	111.4	Y314 T341	Y314-V343 PolarHBondContact OH-O 3.34Å; T341-V343 PolarHBondContact O-N 3.26Å
344	F	96.6	Very high	94.9	Very high	44 Å²	44	60.2 Å²	60.2	19%	0.193	32%	0.315	C	S	.	.			trans	-95.4	127.5	174.1	-61.5	-84.1	0	0	0	109.5	Y314 I350 K355 I358 L359	Y314-F344 HydrophobicContact CD2-CD1 4.14Å; Y314-F344 AromaticContact CD2-CE1 3.79Å; Y314-F344 HydrophobicContact CD2-CE1 3.79Å; Y314-F344 AromaticContact CE2-CD1 3.76Å; Y314-F344 HydrophobicContact CE2-CD1 3.76Å; Y314-F344 AromaticContact CE2-CE1 3.86Å; Y314-F344 HydrophobicContact CE2-CE1 3.86Å; F344-I350 HydrophobicContact CD1-CD1 4.17Å; F344-I350 HydrophobicContact CE1-CD1 4.12Å; F344-K355 HydrophobicContact CD1-CG 4.15Å; F344-K355 HydrophobicContact CD2-CD 4.45Å; F344-K355 HydrophobicContact CD2-CG 4.33Å; F344-K355 HydrophobicContact CE1-CB 4.45Å; F344-K355 HydrophobicContact CE1-CG 4.06Å; F344-K355 HydrophobicContact CE2-CB 4.24Å; F344-K355 HydrophobicContact CE2-CG 4.25Å; F344-K355 HydrophobicContact CG-CD 4.5Å; F344-K355 HydrophobicContact CG-CG 4.28Å; F344-K355 HydrophobicContact CZ-CB 4.07Å; F344-K355 HydrophobicContact CZ-CG 4.11Å; F344-I358 HydrophobicContact CE1-CB 4.4Å; F344-I358 HydrophobicContact CE1-CD1 3.96Å; F344-I358 HydrophobicContact CE1-CG2 4.2Å; F344-I358 HydrophobicContact CZ-CB 4.15Å; F344-I358 HydrophobicContact CZ-CG2 3.95Å; F344-L359 HydrophobicContact CE2-CD1 4.26Å; F344-L359 HydrophobicContact CE2-CD2 3.99Å; F344-L359 HydrophobicContact CE2-CG 4.02Å; F344-L359 HydrophobicContact CZ-CD2 4.42Å; F344-L359 HydrophobicContact CZ-CG 4.24Å
345	P	94.2	Very high	95.2	Very high	15 Å²	15	62 Å²	62	10%	0.097	32%	0.322	C	S	.	.			trans	-64	127.9	178.5	-19.3	31.7	0	0	0	110.7	I318 Y320 E347 V348	I318-P345 HydrophobicContact CG2-CG 3.94Å; Y320-P345 WeakPolarHBondContact OH-CG 3.43Å; P345-E347 PolarHBondContact O-N 2.65Å; P345-V348 HydrophobicContact CB-CB 4.39Å; P345-V348 HydrophobicContact CB-CG2 3.93Å; P345-V348 HydrophobicContact CG-CG2 4.25Å; P345-V348 PolarHBondContact O-N 2.73Å; P345-V348 VanDerWaalsContact O-N 3.16Å
346	P	91.6	Very high	95.5	Very high	130 Å²	130	64.9 Å²	64.9	84%	0.844	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.1	-176.2	25.9	-35.1	0	0	0	113.3
347	E	90.7	Very high	95.9	Very high	104 Å²	104	63.4 Å²	63.4	49%	0.486	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.4	179.2	70.9	-88.4	-151.4	0	0	114.7	S265 P345	S265-E347 WeakPolarHBondContact CB-OE1 3.35Å; S265-E347 PolarHBondContact N-OE1 3.22Å; P345-E347 PolarHBondContact O-N 2.65Å
348	V	92.6	Very high	96.1	Very high	30 Å²	30	61.4 Å²	61.4	18%	0.182	32%	0.32	C	S	.	.	S	Bend	trans	-98.9	124.1	-177.2	179.8	0	0	0	0	110.1	S265 I318 P345 I350	S265-V348 WeakPolarHBondContact OG-CG2 3.47Å; I318-V348 HydrophobicContact CD1-CB 4.23Å; I318-V348 HydrophobicContact CD1-CG1 3.61Å; P345-V348 HydrophobicContact CB-CB 4.39Å; P345-V348 HydrophobicContact CB-CG2 3.93Å; P345-V348 HydrophobicContact CG-CG2 4.25Å; P345-V348 PolarHBondContact O-N 2.73Å; P345-V348 VanDerWaalsContact O-N 3.16Å; V348-I350 PolarHBondContact O-N 2.87Å
349	P	93.5	Very high	96.3	Very high	122 Å²	122	63.6 Å²	63.6	79%	0.792	33%	0.334	S	S	*	.			trans	-71.2	125.2	178	29.2	-33.5	0	0	0	110.7
350	I	97	Very high	96.4	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.108	33%	0.326	C	S	.	.			trans	-152.7	135.5	175.9	179.7	168.5	0	0	0	109.4	L317 I318 F344 V348 A354 K355 I358	L317-I350 HydrophobicContact CB-CD1 4.32Å; L317-I350 HydrophobicContact CD1-CD1 3.78Å; L317-I350 HydrophobicContact CD1-CG1 4.31Å; I318-I350 HydrophobicContact CD1-CD1 4.28Å; F344-I350 HydrophobicContact CD1-CD1 4.17Å; F344-I350 HydrophobicContact CE1-CD1 4.12Å; V348-I350 PolarHBondContact O-N 2.87Å; I350-A354 HydrophobicContact CD1-CB 4.01Å; I350-A354 HydrophobicContact CG1-CB 3.71Å; I350-K355 HydrophobicContact CD1-CG 4.07Å; I350-K355 HydrophobicContact CG1-CG 4.02Å; I350-K355 HydrophobicContact CG2-CD 4.28Å; I350-K355 HydrophobicContact CG2-CG 4.06Å; I350-K355 WeakPolarHBondContact O-CE 3.4Å; I350-I358 HydrophobicContact CD1-CD1 4.07Å
351	S	98.1	Very high	96.6	Very high	37 Å²	37	55.5 Å²	55.5	26%	0.259	29%	0.293	S	S	.	.			trans	-70.8	154.7	-178.9	75.8	0	0	0	0	112.3	E187 K353 A354 K355	E187-S351 VanDerWaalsContact CD-OG 3.25Å; E187-S351 WeakPolarHBondContact OE1-CB 3.49Å; E187-S351 PolarHBondContact OE1-N 3.16Å; E187-S351 PolarHBondContact OE1-OG 2.79Å; E187-S351 WeakPolarHBondContact OE2-CB 3.41Å; E187-S351 PolarHBondContact OE2-OG 3.34Å; S351-K353 PolarHBondContact O-N 2.85Å; S351-A354 PolarHBondContact O-N 3.28Å; S351-A354 WeakPolarHBondContact OG-CB 3.45Å; S351-A354 PolarHBondContact OG-N 3.24Å; S351-A354 VanDerWaalsContact OG-N 3.14Å; S351-K355 WeakPolarHBondContact O-CG 3.25Å; S351-K355 PolarHBondContact O-N 3.11Å
352	E	98.3	Very high	96.7	Very high	135 Å²	135	54.4 Å²	54.4	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-62.6	-33	175.2	-64.8	-55	128.3	0	0	112	K355 D356	E352-K355 PolarHBondContact O-N 2.83Å; E352-K355 IonicContact OE1-NZ 3.36Å; E352-K355 PolarHBondContact OE1-NZ 3.43Å; E352-D356 WeakPolarHBondContact O-CB 3.21Å; E352-D356 PolarHBondContact O-N 2.73Å
353	K	98.5	Very high	96.7	Very high	88 Å²	88	54.7 Å²	54.7	38%	0.383	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.3	-70.8	-178.5	168.2	-163.8	0	111.5	S351 L357 H380 P381 F382 E384	S351-K353 PolarHBondContact O-N 2.85Å; K353-L357 PolarHBondContact O-N 2.89Å; K353-H380 PolarHBondContact O-CE1 3.14Å; K353-P381 HydrophobicContact CD-CB 4.28Å; K353-P381 WeakPolarHBondContact CD-O 3.31Å; K353-P381 WeakPolarHBondContact CE-O 3.31Å; K353-P381 HydrophobicContact CG-CB 4.4Å; K353-P381 PolarHBondContact NZ-O 3.37Å; K353-F382 HydrophobicContact CB-CB 4.35Å; K353-F382 HydrophobicContact CB-CD2 4.31Å; K353-E384 IonicContact NZ-OE2 2.74Å; K353-E384 PolarHBondContact NZ-OE2 3.21Å
354	A	98.6	Very high	96.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-42.8	178.4	0	0	0	0	0	111.9	M313 L317 I350 S351 L357 I358 F382	M313-A354 HydrophobicContact CE-CB 3.91Å; L317-A354 HydrophobicContact CD1-CB 3.84Å; I350-A354 HydrophobicContact CD1-CB 4.01Å; I350-A354 HydrophobicContact CG1-CB 3.71Å; S351-A354 PolarHBondContact O-N 3.28Å; S351-A354 WeakPolarHBondContact OG-CB 3.45Å; S351-A354 PolarHBondContact OG-N 3.24Å; S351-A354 VanDerWaalsContact OG-N 3.14Å; A354-L357 PolarHBondContact O-N 3.44Å; A354-I358 WeakPolarHBondContact O-CG1 3.44Å; A354-I358 PolarHBondContact O-N 3.33Å; A354-I358 VanDerWaalsContact O-N 3.07Å; A354-F382 HydrophobicContact CB-CD2 4.05Å; A354-F382 HydrophobicContact CB-CE2 3.83Å
355	K	98.6	Very high	96.4	Very high	51 Å²	51	52.5 Å²	52.5	22%	0.222	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-47.8	175	-67.4	177.7	-163.9	162.4	0	112	F344 I350 S351 E352 L357 I358 L359	F344-K355 HydrophobicContact CD1-CG 4.15Å; F344-K355 HydrophobicContact CD2-CD 4.45Å; F344-K355 HydrophobicContact CD2-CG 4.33Å; F344-K355 HydrophobicContact CE1-CB 4.45Å; F344-K355 HydrophobicContact CE1-CG 4.06Å; F344-K355 HydrophobicContact CE2-CB 4.24Å; F344-K355 HydrophobicContact CE2-CG 4.25Å; F344-K355 HydrophobicContact CG-CD 4.5Å; F344-K355 HydrophobicContact CG-CG 4.28Å; F344-K355 HydrophobicContact CZ-CB 4.07Å; F344-K355 HydrophobicContact CZ-CG 4.11Å; I350-K355 HydrophobicContact CD1-CG 4.07Å; I350-K355 HydrophobicContact CG1-CG 4.02Å; I350-K355 HydrophobicContact CG2-CD 4.28Å; I350-K355 HydrophobicContact CG2-CG 4.06Å; I350-K355 WeakPolarHBondContact O-CE 3.4Å; S351-K355 WeakPolarHBondContact O-CG 3.25Å; S351-K355 PolarHBondContact O-N 3.11Å; E352-K355 PolarHBondContact O-N 2.83Å; E352-K355 IonicContact OE1-NZ 3.36Å; E352-K355 PolarHBondContact OE1-NZ 3.43Å; K355-L357 VanDerWaalsContact C-N 3.32Å; K355-L357 PolarHBondContact O-N 3.44Å; K355-I358 PolarHBondContact O-N 2.96Å; K355-L359 VanDerWaalsContact O-CG 3.32Å; K355-L359 WeakPolarHBondContact O-CG 3.26Å; K355-L359 PolarHBondContact O-N 2.62Å
356	D	98.7	Very high	96.3	Very high	61 Å²	61	60.2 Å²	60.2	33%	0.326	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-45.6	179.3	-170.6	52.4	0	0	0	110.8	E352 I358 L359 R360 H380	E352-D356 WeakPolarHBondContact O-CB 3.21Å; E352-D356 PolarHBondContact O-N 2.73Å; D356-I358 PolarHBondContact O-N 3.34Å; D356-L359 PolarHBondContact O-N 3.48Å; D356-R360 WeakPolarHBondContact O-CG 3.27Å; D356-R360 PolarHBondContact O-N 2.99Å; D356-R360 IonicContact OD1-NE 3.81Å; D356-R360 IonicContact OD1-NH2 2.77Å; D356-R360 IonicContact OD2-CZ 3.28Å; D356-R360 IonicContact OD2-NE 2.65Å; D356-R360 PolarHBondContact OD2-NE 2.74Å; D356-R360 IonicContact OD2-NH2 3.67Å; D356-R360 PolarHBondContact OD2-NH2 2.68Å; D356-H380 IonicContact OD2-CE1 3.45Å; D356-H380 IonicContact OD2-NE2 2.74Å; D356-H380 PolarHBondContact OD2-NE2 3.48Å; D356-H380 VanDerWaalsContact OD2-NE2 3.1Å
357	L	98.8	Very high	96.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-45.9	179.1	-174.6	53.5	0	0	0	112.3	M313 K353 A354 K355 L359 R360 Y361 I369 H380 F382 F383	M313-L357 HydrophobicContact CE-CB 4.15Å; M313-L357 HydrophobicContact CE-CD2 3.94Å; M313-L357 HydrophobicContact CE-CG 4.33Å; M313-L357 HydrophobicContact SD-CB 4.24Å; M313-L357 HydrophobicContact SD-CD2 3.67Å; M313-L357 HydrophobicContact SD-CG 3.89Å; K353-L357 PolarHBondContact O-N 2.89Å; A354-L357 PolarHBondContact O-N 3.44Å; K355-L357 VanDerWaalsContact C-N 3.32Å; K355-L357 PolarHBondContact O-N 3.44Å; L357-L359 VanDerWaalsContact C-N 3.32Å; L357-L359 PolarHBondContact O-N 2.99Å; L357-R360 PolarHBondContact O-N 3.31Å; L357-Y361 HydrophobicContact CD1-CD2 3.93Å; L357-Y361 HydrophobicContact CD1-CE2 3.55Å; L357-Y361 HydrophobicContact CD2-CE2 3.93Å; L357-Y361 HydrophobicContact CG-CD2 3.83Å; L357-Y361 HydrophobicContact CG-CE2 3.52Å; L357-Y361 WeakPolarHBondContact O-CD2 3.35Å; L357-Y361 PolarHBondContact O-N 3.32Å; L357-I369 HydrophobicContact CD1-CD1 4.03Å; L357-I369 HydrophobicContact CD1-CG2 4.5Å; L357-H380 HydrophobicContact CD1-CB 4.24Å; L357-F382 HydrophobicContact CB-CB 4.4Å; L357-F382 HydrophobicContact CD2-CB 3.86Å; L357-F382 HydrophobicContact CD2-CD1 3.44Å; L357-F382 VanDerWaalsContact CD2-CD1 3.44Å; L357-F382 HydrophobicContact CD2-CE1 4.24Å; L357-F382 HydrophobicContact CD2-CG 3.86Å; L357-F383 HydrophobicContact CD1-CE2 4.39Å; L357-F383 HydrophobicContact CD2-CD2 4.36Å; L357-F383 HydrophobicContact CD2-CE1 4.45Å; L357-F383 HydrophobicContact CD2-CE2 3.47Å; L357-F383 VanDerWaalsContact CD2-CE2 3.47Å; L357-F383 HydrophobicContact CD2-CZ 3.53Å
358	I	98.8	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-44.5	177.5	-70.5	166	0	0	0	110.7	M313 Y314 L317 F344 I350 A354 K355 D356 R360 Y361 C362	M313-I358 HydrophobicContact CB-CG1 4.17Å; M313-I358 HydrophobicContact CE-CD1 4.46Å; M313-I358 HydrophobicContact CE-CG1 4.17Å; M313-I358 HydrophobicContact CG-CD1 4.14Å; M313-I358 HydrophobicContact CG-CG1 3.84Å; M313-I358 HydrophobicContact SD-CG1 3.82Å; Y314-I358 HydrophobicContact CD2-CD1 4.4Å; Y314-I358 HydrophobicContact CD2-CG2 4.2Å; L317-I358 HydrophobicContact CD1-CD1 4.24Å; F344-I358 HydrophobicContact CE1-CB 4.4Å; F344-I358 HydrophobicContact CE1-CD1 3.96Å; F344-I358 HydrophobicContact CE1-CG2 4.2Å; F344-I358 HydrophobicContact CZ-CB 4.15Å; F344-I358 HydrophobicContact CZ-CG2 3.95Å; I350-I358 HydrophobicContact CD1-CD1 4.07Å; A354-I358 WeakPolarHBondContact O-CG1 3.44Å; A354-I358 PolarHBondContact O-N 3.33Å; A354-I358 VanDerWaalsContact O-N 3.07Å; K355-I358 PolarHBondContact O-N 2.96Å; D356-I358 PolarHBondContact O-N 3.34Å; I358-R360 VanDerWaalsContact C-N 3.31Å; I358-R360 PolarHBondContact O-N 2.9Å; I358-Y361 PolarHBondContact O-N 3.49Å; I358-C362 WeakPolarHBondContact O-CB 3.4Å; I358-C362 PolarHBondContact O-N 3.02Å
359	L	98.6	Very high	96.9	Very high	78 Å²	78	54 Å²	54	41%	0.408	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-35.3	178.8	-70.2	172.8	0	0	0	112.2	L342 F344 K355 D356 L357 C362	L342-L359 HydrophobicContact CD2-CD2 3.8Å; L342-L359 HydrophobicContact CG-CD2 4.3Å; F344-L359 HydrophobicContact CE2-CD1 4.26Å; F344-L359 HydrophobicContact CE2-CD2 3.99Å; F344-L359 HydrophobicContact CE2-CG 4.02Å; F344-L359 HydrophobicContact CZ-CD2 4.42Å; F344-L359 HydrophobicContact CZ-CG 4.24Å; K355-L359 VanDerWaalsContact O-CG 3.32Å; K355-L359 WeakPolarHBondContact O-CG 3.26Å; K355-L359 PolarHBondContact O-N 2.62Å; D356-L359 PolarHBondContact O-N 3.48Å; L357-L359 VanDerWaalsContact C-N 3.32Å; L357-L359 PolarHBondContact O-N 2.99Å; L359-C362 CarbonylContact O-C 3.5Å
360	R	98.3	Very high	97	Very high	122 Å²	122	48.3 Å²	48.3	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-73.4	-27.9	175.6	-72.3	-173	-166.3	-142.4	8.1	113.9	D356 L357 I358 T363 I369	D356-R360 WeakPolarHBondContact O-CG 3.27Å; D356-R360 PolarHBondContact O-N 2.99Å; D356-R360 IonicContact OD1-NE 3.81Å; D356-R360 IonicContact OD1-NH2 2.77Å; D356-R360 IonicContact OD2-CZ 3.28Å; D356-R360 IonicContact OD2-NE 2.65Å; D356-R360 PolarHBondContact OD2-NE 2.74Å; D356-R360 IonicContact OD2-NH2 3.67Å; D356-R360 PolarHBondContact OD2-NH2 2.68Å; L357-R360 PolarHBondContact O-N 3.31Å; I358-R360 VanDerWaalsContact C-N 3.31Å; I358-R360 PolarHBondContact O-N 2.9Å; R360-T363 WeakPolarHBondContact O-CG2 3.36Å; R360-I369 HydrophobicContact CB-CB 4.01Å; R360-I369 HydrophobicContact CB-CG2 3.96Å; R360-I369 PolarHBondContact O-N 2.9Å
361	Y	98.5	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-74.6	-47.9	168.9	-78.2	-53.7	0	0	0	111.6	W306 L309 M313 L357 I358 T363 R368 I369 I377	W306-Y361 HydrophobicContact CB-CD1 4.04Å; W306-Y361 HydrophobicContact CB-CE1 4.27Å; W306-Y361 VanDerWaalsContact O-CD1 3.26Å; W306-Y361 WeakPolarHBondContact O-CD1 3.43Å; L309-Y361 HydrophobicContact CD2-CE1 4.34Å; M313-Y361 HydrophobicContact SD-CE2 4.43Å; L357-Y361 HydrophobicContact CD1-CD2 3.93Å; L357-Y361 HydrophobicContact CD1-CE2 3.55Å; L357-Y361 HydrophobicContact CD2-CE2 3.93Å; L357-Y361 HydrophobicContact CG-CD2 3.83Å; L357-Y361 HydrophobicContact CG-CE2 3.52Å; L357-Y361 WeakPolarHBondContact O-CD2 3.35Å; L357-Y361 PolarHBondContact O-N 3.32Å; I358-Y361 PolarHBondContact O-N 3.49Å; Y361-T363 VanDerWaalsContact C-N 3.29Å; Y361-T363 PolarHBondContact O-N 3.38Å; Y361-T363 VanDerWaalsContact O-N 3.11Å; Y361-R368 WeakPolarHBondContact O-CD 3.06Å; Y361-R368 VanDerWaalsContact O-CG 3.27Å; Y361-R368 WeakPolarHBondContact O-CG 3.44Å; Y361-R368 PolarHBondContact O-NE 3Å; Y361-I369 HydrophobicContact CD1-CG2 3.48Å; Y361-I369 VanDerWaalsContact CD1-CG2 3.48Å; Y361-I369 HydrophobicContact CE1-CG2 3.71Å; Y361-I369 HydrophobicContact CG-CG2 4.05Å; Y361-I377 HydrophobicContact CE1-CD1 4.04Å; Y361-I377 HydrophobicContact CE1-CG1 4.24Å; Y361-I377 HydrophobicContact CE1-CG2 4.35Å; Y361-I377 WeakPolarHBondContact OH-CG2 3.44Å
362	C	98.1	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-91.4	57.2	-173.8	-62.3	0	0	0	0	111.7	W307 W338 L342 I358 L359	W307-C362 HydrophobicContact CE3-CB 4.26Å; W307-C362 HydrophobicContact CH2-CB 4.24Å; W307-C362 HydrophobicContact CZ3-CB 4.09Å; W338-C362 VanDerWaalsContact CE3-O 3.28Å; W338-C362 VanDerWaalsContact CZ3-O 3.31Å; W338-C362 WeakPolarHBondContact CZ3-O 3.49Å; L342-C362 HydrophobicContact CD2-CB 3.56Å; I358-C362 WeakPolarHBondContact O-CB 3.4Å; I358-C362 PolarHBondContact O-N 3.02Å; L359-C362 CarbonylContact O-C 3.5Å
363	T	96.9	Very high	96.2	Very high	25 Å²	25	48.4 Å²	48.4	15%	0.153	25%	0.253	C	S	.	.	S	Bend	trans	-129.2	179.1	175.3	-169.3	0	0	0	0	111.8	W338 R360 Y361 N367 R368	W338-T363 WeakPolarHBondContact CH2-OG1 3.49Å; R360-T363 WeakPolarHBondContact O-CG2 3.36Å; Y361-T363 VanDerWaalsContact C-N 3.29Å; Y361-T363 PolarHBondContact O-N 3.38Å; Y361-T363 VanDerWaalsContact O-N 3.11Å; T363-N367 HydrophobicContact CG2-CB 4.29Å; T363-R368 HydrophobicContact CG2-CB 4.13Å; T363-R368 PolarHBondContact O-NE 3.49Å; T363-R368 PolarHBondContact O-NH2 3.49Å
364	D	94.4	Very high	96.1	Very high	61 Å²	61	44.7 Å²	44.7	33%	0.326	24%	0.238	S	C	.	.			trans	-53	136.9	173.8	-69.3	-48.9	0	0	0	110.2	W338 K339 E366 N367 R368	W338-D364 HydrophobicContact CZ2-CB 4.49Å; K339-D364 WeakPolarHBondContact CE-OD2 3.06Å; K339-D364 IonicContact NZ-OD1 2.72Å; K339-D364 IonicContact NZ-OD2 3.08Å; K339-D364 PolarHBondContact NZ-OD2 3.04Å; D364-E366 PolarHBondContact O-N 3.03Å; D364-N367 PolarHBondContact O-N 2.82Å; D364-R368 PolarHBondContact O-N 3.18Å; D364-R368 VanDerWaalsContact O-N 3.15Å
365	A	92.9	Very high	96.1	Very high	22 Å²	22	49.7 Å²	49.7	18%	0.182	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-55.5	-32.7	-169.5	0	0	0	0	0	114.3	E293 L303 N367	E293-A365 HydrophobicContact CG-CB 4.39Å; L303-A365 WeakPolarHBondContact CD1-O 3.2Å; A365-N367 VanDerWaalsContact C-N 3.34Å
366	E	90.8	Very high	96	Very high	178 Å²	178	50.5 Å²	50.5	83%	0.832	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-70.6	-27.7	179.5	-62.2	176.7	-178.1	0	0	113.3	D364	D364-E366 PolarHBondContact O-N 3.03Å
367	N	94.4	Very high	96	Very high	120 Å²	120	47.6 Å²	47.6	64%	0.642	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-103.6	1.4	-178.6	-61.7	-50.7	0	0	0	112.6	T363 D364 A365	T363-N367 HydrophobicContact CG2-CB 4.29Å; D364-N367 PolarHBondContact O-N 2.82Å; A365-N367 VanDerWaalsContact C-N 3.34Å
368	R	97.1	Very high	96	Very high	2 Å²	2	50 Å²	50	1%	0.008	26%	0.261	C	S	.	.	S	Bend	trans	-70.3	136.5	-175.4	-169.4	172.9	-59.3	136	5	110.4	E293 L303 W306 Y361 T363 D364 G370 A371	E293-R368 IonicContact OE1-CZ 2.83Å; E293-R368 IonicContact OE1-NH1 2.93Å; E293-R368 PolarHBondContact OE1-NH1 3.11Å; E293-R368 IonicContact OE1-NH2 2.76Å; E293-R368 PolarHBondContact OE1-NH2 3.02Å; E293-R368 IonicContact OE2-CZ 3.82Å; E293-R368 IonicContact OE2-NH1 3.3Å; E293-R368 IonicContact OE2-NH2 3.91Å; E293-R368 PolarHBondContact OE2-NH2 3.35Å; L303-R368 WeakPolarHBondContact O-CD 3.46Å; L303-R368 PolarHBondContact O-NH1 3Å; W306-R368 HydrophobicContact CB-CG 4.48Å; Y361-R368 WeakPolarHBondContact O-CD 3.06Å; Y361-R368 VanDerWaalsContact O-CG 3.27Å; Y361-R368 WeakPolarHBondContact O-CG 3.44Å; Y361-R368 PolarHBondContact O-NE 3Å; T363-R368 HydrophobicContact CG2-CB 4.13Å; T363-R368 PolarHBondContact O-NE 3.49Å; T363-R368 PolarHBondContact O-NH2 3.49Å; D364-R368 PolarHBondContact O-N 3.18Å; D364-R368 VanDerWaalsContact O-N 3.15Å; R368-G370 PolarHBondContact O-N 3.41Å; R368-A371 WeakPolarHBondContact O-CB 3.41Å; R368-A371 PolarHBondContact O-N 3.36Å
369	I	97.3	Very high	96	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.056	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	133.1	172.9	-164.3	173.4	0	0	0	110.2	L357 R360 Y361 E376 I377 H380	L357-I369 HydrophobicContact CD1-CD1 4.03Å; L357-I369 HydrophobicContact CD1-CG2 4.5Å; R360-I369 HydrophobicContact CB-CB 4.01Å; R360-I369 HydrophobicContact CB-CG2 3.96Å; R360-I369 PolarHBondContact O-N 2.9Å; Y361-I369 HydrophobicContact CD1-CG2 3.48Å; Y361-I369 VanDerWaalsContact CD1-CG2 3.48Å; Y361-I369 HydrophobicContact CE1-CG2 3.71Å; Y361-I369 HydrophobicContact CG-CG2 4.05Å; I369-E376 WeakPolarHBondContact CD1-O 3.32Å; I369-E376 HydrophobicContact CG1-CB 3.87Å; I369-I377 HydrophobicContact CB-CG1 4.46Å; I369-I377 HydrophobicContact CD1-CG1 4.42Å; I369-I377 HydrophobicContact CG1-CG1 3.9Å; I369-I377 HydrophobicContact CG2-CG1 4.2Å; I369-H380 HydrophobicContact CD1-CB 4.22Å
370	G	94.8	Very high	96	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	2.9	-172.3	0	0	0	0	0	114.2	L303 R368 S373 E376	L303-G370 VanDerWaalsContact CD2-O 3.25Å; L303-G370 WeakPolarHBondContact CD2-O 3.31Å; R368-G370 PolarHBondContact O-N 3.41Å; G370-S373 WeakPolarHBondContact CA-O 3.16Å; G370-E376 PolarHBondContact N-OE2 3.08Å
371	A	92.2	Very high	96	Very high	36 Å²	36	48.6 Å²	48.6	30%	0.298	27%	0.274	S	S	.	.	S	Bend	trans	-63.2	-43.9	175.4	0	0	0	0	0	112	L303 R368	L303-A371 HydrophobicContact CD1-CB 3.84Å; R368-A371 WeakPolarHBondContact O-CB 3.41Å; R368-A371 PolarHBondContact O-N 3.36Å
372	V	90.8	Very high	96	Very high	121 Å²	121	49 Å²	49	73%	0.733	28%	0.275	S	S	*	.	S	Bend	trans	-84.5	-53.9	178.2	-176	0	0	0	0	110.1	E376	V372-E376 VanDerWaalsContact CB-OE1 3.31Å; V372-E376 WeakPolarHBondContact CB-OE1 3.47Å; V372-E376 VanDerWaalsContact CG2-OE1 3.31Å; V372-E376 WeakPolarHBondContact CG2-OE1 3.33Å
373	S	94.1	Very high	96	Very high	38 Å²	38	49.2 Å²	49.2	27%	0.266	28%	0.277	S	S	.	.			trans	-158.5	160.4	179.5	87.1	0	0	0	0	112.5	G370 E375 E376	G370-S373 WeakPolarHBondContact CA-O 3.16Å; S373-E375 WeakPolarHBondContact CB-OE2 3.38Å; S373-E375 PolarHBondContact O-N 3.35Å; S373-E375 WeakPolarHBondContact OG-CB 3.31Å; S373-E375 PolarHBondContact OG-N 3.44Å; S373-E375 PolarHBondContact OG-OE2 2.92Å; S373-E376 PolarHBondContact O-N 3.48Å
374	V	96.8	Very high	95.9	Very high	11 Å²	11	55.4 Å²	55.4	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-22.1	179.1	70.7	0	0	0	0	112.2	V198 D202 W306 E376 I377 K378	V198-V374 HydrophobicContact CG1-CG2 3.64Å; D202-V374 HydrophobicContact CB-CB 4.48Å; D202-V374 HydrophobicContact CB-CG2 3.97Å; W306-V374 HydrophobicContact CH2-CG2 4.39Å; W306-V374 HydrophobicContact CZ2-CG2 4.37Å; V374-E376 PolarHBondContact O-N 3.39Å; V374-I377 WeakPolarHBondContact O-CA 3.35Å; V374-I377 WeakPolarHBondContact O-CB 3.41Å; V374-I377 PolarHBondContact O-N 3.39Å; V374-K378 HydrophobicContact CG1-CD 4.48Å; V374-K378 HydrophobicContact CG2-CG 4.48Å; V374-K378 PolarHBondContact O-N 3.26Å
375	E	97.4	Very high	95.9	Very high	104 Å²	104	56.7 Å²	56.7	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-29.2	177.7	-68.2	63.2	-141.7	0	0	112.3	S373 I377 K378 S379	S373-E375 WeakPolarHBondContact CB-OE2 3.38Å; S373-E375 PolarHBondContact O-N 3.35Å; S373-E375 WeakPolarHBondContact OG-CB 3.31Å; S373-E375 PolarHBondContact OG-N 3.44Å; S373-E375 PolarHBondContact OG-OE2 2.92Å; E375-I377 VanDerWaalsContact C-N 3.25Å; E375-I377 PolarHBondContact O-N 2.95Å; E375-K378 PolarHBondContact O-N 3.4Å; E375-S379 VanDerWaalsContact O-CB 3.29Å; E375-S379 WeakPolarHBondContact O-CB 3.45Å; E375-S379 PolarHBondContact O-N 2.83Å; E375-S379 PolarHBondContact O-OG 3.26Å
376	E	97.7	Very high	96.1	Very high	69 Å²	69	56.7 Å²	56.7	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-41.6	171.6	-64.6	-177.5	158.6	0	0	111	I369 G370 V372 S373 V374 S379	I369-E376 WeakPolarHBondContact CD1-O 3.32Å; I369-E376 HydrophobicContact CG1-CB 3.87Å; G370-E376 PolarHBondContact N-OE2 3.08Å; V372-E376 VanDerWaalsContact CB-OE1 3.31Å; V372-E376 WeakPolarHBondContact CB-OE1 3.47Å; V372-E376 VanDerWaalsContact CG2-OE1 3.31Å; V372-E376 WeakPolarHBondContact CG2-OE1 3.33Å; S373-E376 PolarHBondContact O-N 3.48Å; V374-E376 PolarHBondContact O-N 3.39Å; E376-S379 PolarHBondContact O-OG 3Å
377	I	98.3	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-50.9	176.6	-58.4	170.9	0	0	0	109.6	V198 W306 Y361 I369 V374 E375 S379 H380 F383	V198-I377 HydrophobicContact CG1-CG2 4.03Å; V198-I377 HydrophobicContact CG2-CG2 3.67Å; W306-I377 HydrophobicContact CD2-CD1 3.67Å; W306-I377 HydrophobicContact CE3-CD1 3.86Å; W306-I377 HydrophobicContact CG-CD1 4.19Å; W306-I377 HydrophobicContact CH2-CD1 4.15Å; W306-I377 HydrophobicContact CZ2-CD1 3.95Å; W306-I377 HydrophobicContact CZ3-CD1 4.1Å; Y361-I377 HydrophobicContact CE1-CD1 4.04Å; Y361-I377 HydrophobicContact CE1-CG1 4.24Å; Y361-I377 HydrophobicContact CE1-CG2 4.35Å; Y361-I377 WeakPolarHBondContact OH-CG2 3.44Å; I369-I377 HydrophobicContact CB-CG1 4.46Å; I369-I377 HydrophobicContact CD1-CG1 4.42Å; I369-I377 HydrophobicContact CG1-CG1 3.9Å; I369-I377 HydrophobicContact CG2-CG1 4.2Å; V374-I377 WeakPolarHBondContact O-CA 3.35Å; V374-I377 WeakPolarHBondContact O-CB 3.41Å; V374-I377 PolarHBondContact O-N 3.39Å; E375-I377 VanDerWaalsContact C-N 3.25Å; E375-I377 PolarHBondContact O-N 2.95Å; I377-S379 PolarHBondContact O-N 3.41Å; I377-H380 VanDerWaalsContact O-CB 3.29Å; I377-H380 WeakPolarHBondContact O-CB 3.46Å; I377-H380 PolarHBondContact O-N 3.12Å; I377-H380 VanDerWaalsContact O-N 3.1Å; I377-F383 HydrophobicContact CG2-CE2 3.87Å; I377-F383 WeakPolarHBondContact O-CD2 3.47Å; I377-F383 WeakPolarHBondContact O-CE2 3.44Å
378	K	98.3	Very high	96.5	Very high	51 Å²	51	46.6 Å²	46.6	22%	0.222	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-29.7	-175.1	-64.9	179.8	-177.2	169.1	0	113.6	V374 E375 W388	V374-K378 HydrophobicContact CG1-CD 4.48Å; V374-K378 HydrophobicContact CG2-CG 4.48Å; V374-K378 PolarHBondContact O-N 3.26Å; E375-K378 PolarHBondContact O-N 3.4Å; K378-W388 HydrophobicContact CB-CD2 4.15Å; K378-W388 HydrophobicContact CB-CZ2 3.89Å; K378-W388 HydrophobicContact CD-CD2 4.04Å; K378-W388 HydrophobicContact CD-CE3 4.23Å; K378-W388 HydrophobicContact CD-CG 4.26Å; K378-W388 HydrophobicContact CG-CD2 3.76Å; K378-W388 HydrophobicContact CG-CE3 3.95Å; K378-W388 HydrophobicContact CG-CG 4.37Å; K378-W388 HydrophobicContact CG-CH2 3.99Å; K378-W388 HydrophobicContact CG-CZ2 3.83Å; K378-W388 HydrophobicContact CG-CZ3 4.04Å; K378-W388 PolarHBondContact O-NE1 3.02Å
379	S	97.8	Very high	96.5	Very high	93 Å²	93	54.1 Å²	54.1	65%	0.65	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.1	-180	59.9	0	0	0	0	114.2	E375 E376 I377	E375-S379 VanDerWaalsContact O-CB 3.29Å; E375-S379 WeakPolarHBondContact O-CB 3.45Å; E375-S379 PolarHBondContact O-N 2.83Å; E375-S379 PolarHBondContact O-OG 3.26Å; E376-S379 PolarHBondContact O-OG 3Å; I377-S379 PolarHBondContact O-N 3.41Å
380	H	98.6	Very high	96.4	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.032	31%	0.312	C	S	.	.	S	Bend	trans	-62.7	137.8	180	-170.8	-90.2	0	0	0	111.4	K353 D356 L357 I369 I377 F382 F383	K353-H380 PolarHBondContact O-CE1 3.14Å; D356-H380 IonicContact OD2-CE1 3.45Å; D356-H380 IonicContact OD2-NE2 2.74Å; D356-H380 PolarHBondContact OD2-NE2 3.48Å; D356-H380 VanDerWaalsContact OD2-NE2 3.1Å; L357-H380 HydrophobicContact CD1-CB 4.24Å; I369-H380 HydrophobicContact CD1-CB 4.22Å; I377-H380 VanDerWaalsContact O-CB 3.29Å; I377-H380 WeakPolarHBondContact O-CB 3.46Å; I377-H380 PolarHBondContact O-N 3.12Å; I377-H380 VanDerWaalsContact O-N 3.1Å; H380-F382 VanDerWaalsContact ND1-CB 3.26Å; H380-F382 WeakPolarHBondContact ND1-CB 3.39Å; H380-F382 PolarHBondContact ND1-N 3.5Å; H380-F382 VanDerWaalsContact ND1-N 3.14Å; H380-F382 PolarHBondContact O-N 3.45Å; H380-F383 HydrophobicContact CB-CD2 4.05Å; H380-F383 HydrophobicContact CB-CE2 4.44Å; H380-F383 PolarHBondContact O-N 2.93Å
381	P	98.4	Very high	96.5	Very high	70 Å²	70	57.5 Å²	57.5	46%	0.455	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-58.6	-17.8	-177	-27.8	35.5	0	0	0	116	K353 F383	K353-P381 HydrophobicContact CD-CB 4.28Å; K353-P381 WeakPolarHBondContact CD-O 3.31Å; K353-P381 WeakPolarHBondContact CE-O 3.31Å; K353-P381 HydrophobicContact CG-CB 4.4Å; K353-P381 PolarHBondContact NZ-O 3.37Å; P381-F383 PolarHBondContact O-N 3.47Å
382	F	98.6	Very high	96.6	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.035	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-64.7	-24.9	171.2	-177	-103.9	0	0	0	112.4	E187 T190 Q191 M313 K353 A354 L357 H380	E187-F382 HydrophobicContact CB-CE2 4.45Å; T190-F382 HydrophobicContact CG2-CZ 4.36Å; Q191-F382 HydrophobicContact CB-CE1 3.86Å; Q191-F382 HydrophobicContact CB-CZ 3.96Å; Q191-F382 HydrophobicContact CG-CD1 4.45Å; Q191-F382 HydrophobicContact CG-CE1 4.16Å; Q191-F382 PolarHBondContact NE2-O 2.85Å; M313-F382 HydrophobicContact CE-CD1 3.91Å; M313-F382 HydrophobicContact CE-CD2 4.1Å; M313-F382 HydrophobicContact CE-CE1 3.55Å; M313-F382 HydrophobicContact CE-CE2 3.79Å; M313-F382 HydrophobicContact CE-CG 4.16Å; M313-F382 HydrophobicContact CE-CZ 3.51Å; M313-F382 HydrophobicContact SD-CE1 4.4Å; K353-F382 HydrophobicContact CB-CB 4.35Å; K353-F382 HydrophobicContact CB-CD2 4.31Å; A354-F382 HydrophobicContact CB-CD2 4.05Å; A354-F382 HydrophobicContact CB-CE2 3.83Å; L357-F382 HydrophobicContact CB-CB 4.4Å; L357-F382 HydrophobicContact CD2-CB 3.86Å; L357-F382 HydrophobicContact CD2-CD1 3.44Å; L357-F382 VanDerWaalsContact CD2-CD1 3.44Å; L357-F382 HydrophobicContact CD2-CE1 4.24Å; L357-F382 HydrophobicContact CD2-CG 3.86Å; H380-F382 VanDerWaalsContact ND1-CB 3.26Å; H380-F382 WeakPolarHBondContact ND1-CB 3.39Å; H380-F382 PolarHBondContact ND1-N 3.5Å; H380-F382 VanDerWaalsContact ND1-N 3.14Å; H380-F382 PolarHBondContact O-N 3.45Å
383	F	98.5	Very high	96.7	Very high	5 Å²	5	58.4 Å²	58.4	2%	0.022	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-104.7	18.9	-179.4	-57.9	-66.5	0	0	0	113.9	Q191 I194 A195 L357 I377 H380 P381 S385 V386 W388	Q191-F383 HydrophobicContact CG-CD1 3.9Å; Q191-F383 HydrophobicContact CG-CE1 4.48Å; I194-F383 HydrophobicContact CB-CE1 4.33Å; I194-F383 HydrophobicContact CB-CZ 4.5Å; I194-F383 HydrophobicContact CG2-CE1 3.98Å; I194-F383 HydrophobicContact CG2-CZ 3.67Å; A195-F383 HydrophobicContact CB-CD1 4.17Å; A195-F383 HydrophobicContact CB-CE1 4.12Å; L357-F383 HydrophobicContact CD1-CE2 4.39Å; L357-F383 HydrophobicContact CD2-CD2 4.36Å; L357-F383 HydrophobicContact CD2-CE1 4.45Å; L357-F383 HydrophobicContact CD2-CE2 3.47Å; L357-F383 VanDerWaalsContact CD2-CE2 3.47Å; L357-F383 HydrophobicContact CD2-CZ 3.53Å; I377-F383 HydrophobicContact CG2-CE2 3.87Å; I377-F383 WeakPolarHBondContact O-CD2 3.47Å; I377-F383 WeakPolarHBondContact O-CE2 3.44Å; H380-F383 HydrophobicContact CB-CD2 4.05Å; H380-F383 HydrophobicContact CB-CE2 4.44Å; H380-F383 PolarHBondContact O-N 2.93Å; P381-F383 PolarHBondContact O-N 3.47Å; F383-S385 PolarHBondContact O-N 3.12Å; F383-V386 HydrophobicContact CB-CB 4.2Å; F383-V386 HydrophobicContact CB-CG2 3.92Å; F383-V386 HydrophobicContact CD1-CG2 3.96Å; F383-V386 HydrophobicContact CG-CG2 4.43Å; F383-V386 WeakPolarHBondContact O-CB 3.43Å; F383-V386 PolarHBondContact O-N 3.47Å; F383-W388 HydrophobicContact CB-CZ2 3.78Å; F383-W388 HydrophobicContact CD1-CH2 4.27Å; F383-W388 HydrophobicContact CD1-CZ2 4.02Å; F383-W388 HydrophobicContact CD2-CH2 4.39Å; F383-W388 AromaticContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CE1-CH2 4.42Å; F383-W388 HydrophobicContact CG-CH2 4.26Å; F383-W388 AromaticContact CG-CZ2 3.65Å; F383-W388 HydrophobicContact CG-CZ2 3.65Å
384	E	95	Very high	96.6	Very high	155 Å²	155	62.8 Å²	62.8	72%	0.724	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.3	-175.3	-175.7	174.8	-174.1	0	0	114.1	K353	K353-E384 IonicContact NZ-OE2 2.74Å; K353-E384 PolarHBondContact NZ-OE2 3.21Å
385	S	94.4	Very high	96.5	Very high	87 Å²	87	67.9 Å²	67.9	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.4	179.4	47.4	0	0	0	0	114.9	Q191 F383	Q191-S385 VanDerWaalsContact CD-OG 3.3Å; Q191-S385 PolarHBondContact NE2-OG 3.5Å; Q191-S385 PolarHBondContact OE1-OG 3.18Å; F383-S385 PolarHBondContact O-N 3.12Å
386	V	97.4	Very high	96.4	Very high	23 Å²	23	63.5 Å²	63.5	14%	0.139	33%	0.328	C	S	.	.			trans	-85.5	124.9	-173.5	177.6	0	0	0	0	111.3	Q191 A195 F383 W388 I391	Q191-V386 HydrophobicContact CG-CG2 3.62Å; A195-V386 HydrophobicContact CB-CG1 3.85Å; A195-V386 HydrophobicContact CB-CG2 4.21Å; F383-V386 HydrophobicContact CB-CB 4.2Å; F383-V386 HydrophobicContact CB-CG2 3.92Å; F383-V386 HydrophobicContact CD1-CG2 3.96Å; F383-V386 HydrophobicContact CG-CG2 4.43Å; F383-V386 WeakPolarHBondContact O-CB 3.43Å; F383-V386 PolarHBondContact O-N 3.47Å; V386-W388 HydrophobicContact CB-CZ2 4.5Å; V386-W388 HydrophobicContact CG1-CD2 3.81Å; V386-W388 HydrophobicContact CG1-CE3 4.29Å; V386-W388 HydrophobicContact CG1-CG 4.09Å; V386-W388 HydrophobicContact CG1-CZ2 4.14Å; V386-W388 PolarHBondContact O-N 3.39Å; V386-I391 HydrophobicContact CG1-CD1 4.16Å
387	D	96.7	Very high	96.3	Very high	40 Å²	40	62.5 Å²	62.5	21%	0.214	33%	0.331	C	S	.	.			trans	-89.1	97.7	165.3	-178.6	-17.3	0	0	0	109.4	E389 H390 I391 R394	D387-E389 PolarHBondContact O-N 2.98Å; D387-E389 PolarHBondContact OD1-N 2.96Å; D387-H390 IonicContact OD1-CG 3.36Å; D387-H390 PolarHBondContact OD1-N 3.19Å; D387-H390 IonicContact OD1-ND1 3.1Å; D387-H390 PolarHBondContact OD1-ND1 2.95Å; D387-H390 VanDerWaalsContact OD1-ND1 3.09Å; D387-H390 WeakPolarHBondContact OD2-CB 3.1Å; D387-H390 IonicContact OD2-CG 3.98Å; D387-H390 IonicContact OD2-ND1 2.7Å; D387-H390 PolarHBondContact OD2-ND1 3.08Å; D387-I391 WeakPolarHBondContact O-CA 3.35Å; D387-I391 VanDerWaalsContact O-CB 3.25Å; D387-I391 WeakPolarHBondContact O-CB 3.4Å; D387-I391 PolarHBondContact O-N 3.02Å; D387-R394 IonicContact OD2-CZ 3.78Å; D387-R394 VanDerWaalsContact OD2-CZ 3.31Å; D387-R394 IonicContact OD2-NE 3.53Å; D387-R394 IonicContact OD2-NH2 2.68Å; D387-R394 PolarHBondContact OD2-NH2 2.97Å
388	W	97.3	Very high	96.1	Very high	45 Å²	45	64 Å²	64	17%	0.17	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.3	-176.5	-67.2	97.9	0	0	0	114.5	A195 V198 L199 K378 F383 V386	A195-W388 HydrophobicContact CB-CE3 4.48Å; A195-W388 HydrophobicContact CB-CH2 3.7Å; A195-W388 HydrophobicContact CB-CZ2 4.33Å; A195-W388 HydrophobicContact CB-CZ3 3.8Å; A195-W388 VanDerWaalsContact O-CZ3 3.29Å; A195-W388 WeakPolarHBondContact O-CZ3 3.48Å; V198-W388 HydrophobicContact CB-CH2 4.1Å; V198-W388 HydrophobicContact CB-CZ3 3.91Å; V198-W388 HydrophobicContact CG1-CH2 4.08Å; V198-W388 HydrophobicContact CG1-CZ3 3.88Å; V198-W388 HydrophobicContact CG2-CH2 4.42Å; L199-W388 HydrophobicContact CD1-CE3 4.11Å; L199-W388 HydrophobicContact CD2-CE3 3.78Å; L199-W388 HydrophobicContact CD2-CZ3 4.29Å; L199-W388 HydrophobicContact CG-CE3 3.8Å; L199-W388 HydrophobicContact CG-CZ3 4.05Å; K378-W388 HydrophobicContact CB-CD2 4.15Å; K378-W388 HydrophobicContact CB-CZ2 3.89Å; K378-W388 HydrophobicContact CD-CD2 4.04Å; K378-W388 HydrophobicContact CD-CE3 4.23Å; K378-W388 HydrophobicContact CD-CG 4.26Å; K378-W388 HydrophobicContact CG-CD2 3.76Å; K378-W388 HydrophobicContact CG-CE3 3.95Å; K378-W388 HydrophobicContact CG-CG 4.37Å; K378-W388 HydrophobicContact CG-CH2 3.99Å; K378-W388 HydrophobicContact CG-CZ2 3.83Å; K378-W388 HydrophobicContact CG-CZ3 4.04Å; K378-W388 PolarHBondContact O-NE1 3.02Å; F383-W388 HydrophobicContact CB-CZ2 3.78Å; F383-W388 HydrophobicContact CD1-CH2 4.27Å; F383-W388 HydrophobicContact CD1-CZ2 4.02Å; F383-W388 HydrophobicContact CD2-CH2 4.39Å; F383-W388 AromaticContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CE1-CH2 4.42Å; F383-W388 HydrophobicContact CG-CH2 4.26Å; F383-W388 AromaticContact CG-CZ2 3.65Å; F383-W388 HydrophobicContact CG-CZ2 3.65Å; V386-W388 HydrophobicContact CB-CZ2 4.5Å; V386-W388 HydrophobicContact CG1-CD2 3.81Å; V386-W388 HydrophobicContact CG1-CE3 4.29Å; V386-W388 HydrophobicContact CG1-CG 4.09Å; V386-W388 HydrophobicContact CG1-CZ2 4.14Å; V386-W388 PolarHBondContact O-N 3.39Å
389	E	95.2	Very high	95.8	Very high	161 Å²	161	66.3 Å²	66.3	75%	0.752	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-42.2	-179.4	-67.7	-179	173.4	0	0	110.9	D387	D387-E389 PolarHBondContact O-N 2.98Å; D387-E389 PolarHBondContact OD1-N 2.96Å
390	H	95.9	Very high	95.5	Very high	73 Å²	73	63.2 Å²	63.2	34%	0.338	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	6.9	-171.2	-47.1	90.3	0	0	0	114.1	D387 R392 E393 R394	D387-H390 IonicContact OD1-CG 3.36Å; D387-H390 PolarHBondContact OD1-N 3.19Å; D387-H390 IonicContact OD1-ND1 3.1Å; D387-H390 PolarHBondContact OD1-ND1 2.95Å; D387-H390 VanDerWaalsContact OD1-ND1 3.09Å; D387-H390 WeakPolarHBondContact OD2-CB 3.1Å; D387-H390 IonicContact OD2-CG 3.98Å; D387-H390 IonicContact OD2-ND1 2.7Å; D387-H390 PolarHBondContact OD2-ND1 3.08Å; H390-R392 PolarHBondContact O-N 3.11Å; H390-R392 VanDerWaalsContact O-N 3.13Å; H390-E393 IonicContact CD2-OE2 3.2Å; H390-E393 PolarHBondContact CD2-OE2 3.49Å; H390-E393 WeakPolarHBondContact O-CB 3.29Å; H390-E393 PolarHBondContact O-N 2.86Å; H390-R394 WeakPolarHBondContact O-CG 3.4Å; H390-R394 PolarHBondContact O-N 2.95Å
391	I	96.7	Very high	95.2	Very high	11 Å²	11	70.9 Å²	70.9	6%	0.056	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-39.3	-177.6	-171.7	168.2	0	0	0	112.9	W149 F192 A195 E196 L199 V386 D387 E393	W149-I391 HydrophobicContact CH2-CG2 4.17Å; F192-I391 HydrophobicContact CD2-CD1 4.02Å; F192-I391 HydrophobicContact CD2-CG1 3.95Å; F192-I391 HydrophobicContact CE2-CD1 4.17Å; F192-I391 HydrophobicContact CE2-CG1 3.67Å; A195-I391 HydrophobicContact CB-CD1 3.72Å; E196-I391 HydrophobicContact CG-CD1 3.71Å; E196-I391 HydrophobicContact CG-CG1 4.01Å; E196-I391 HydrophobicContact CG-CG2 4.47Å; L199-I391 HydrophobicContact CD1-CG2 3.62Å; V386-I391 HydrophobicContact CG1-CD1 4.16Å; D387-I391 WeakPolarHBondContact O-CA 3.35Å; D387-I391 VanDerWaalsContact O-CB 3.25Å; D387-I391 WeakPolarHBondContact O-CB 3.4Å; D387-I391 PolarHBondContact O-N 3.02Å; I391-E393 VanDerWaalsContact C-N 3.32Å; I391-E393 PolarHBondContact O-N 3.19Å
392	R	95.3	Very high	94.8	Very high	36 Å²	36	70.4 Å²	70.4	14%	0.136	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.9	-178.8	-155.3	-178.7	-177	86.2	12.4	113.6	A148 W149 D222 R224 H226 V227 H390	A148-R392 VanDerWaalsContact O-CZ 3.23Å; A148-R392 PolarHBondContact O-NH1 3.37Å; A148-R392 PolarHBondContact O-NH2 3.45Å; W149-R392 HydrophobicContact CH2-CB 4.06Å; W149-R392 HydrophobicContact CH2-CG 4.28Å; W149-R392 HydrophobicContact CZ2-CB 4.42Å; D222-R392 IonicContact OD2-NH2 3.1Å; D222-R392 PolarHBondContact OD2-NH2 2.91Å; R224-R392 PolarHBondContact NH2-O 2.85Å; R224-R392 VanDerWaalsContact NH2-O 3.07Å; H226-R392 HydrophobicContact CB-CG 4.26Å; H226-R392 PolarHBondContact CE1-O 3.28Å; H226-R392 PolarHBondContact NE2-O 3.12Å; V227-R392 PolarHBondContact O-NH1 3.06Å; V227-R392 PolarHBondContact O-NH2 3.08Å; H390-R392 PolarHBondContact O-N 3.11Å; H390-R392 VanDerWaalsContact O-N 3.13Å
393	E	93.1	Very high	94.5	Very high	140 Å²	140	79.6 Å²	79.6	65%	0.654	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-24.8	179.7	-62.9	177.2	178.4	0	0	111.2	R224 H390 I391	R224-E393 PolarHBondContact NH2-O 3Å; R224-E393 VanDerWaalsContact NH2-O 3.14Å; H390-E393 IonicContact CD2-OE2 3.2Å; H390-E393 PolarHBondContact CD2-OE2 3.49Å; H390-E393 WeakPolarHBondContact O-CB 3.29Å; H390-E393 PolarHBondContact O-N 2.86Å; I391-E393 VanDerWaalsContact C-N 3.32Å; I391-E393 PolarHBondContact O-N 3.19Å
394	R	90.6	Very high	94.2	Very high	129 Å²	129	82 Å²	82	49%	0.487	42%	0.424	S	S	.	.	S	Bend	trans	-79.2	165.2	177.3	-65.2	174.4	-176.5	-160.2	0	111.9	R224 H226 D387 H390	R224-R394 PolarHBondContact NH2-O 3.35Å; H226-R394 PolarHBondContact CE1-O 3.36Å; H226-R394 PolarHBondContact NE2-O 3.45Å; H226-R394 VanDerWaalsContact NE2-O 3.08Å; D387-R394 IonicContact OD2-CZ 3.78Å; D387-R394 VanDerWaalsContact OD2-CZ 3.31Å; D387-R394 IonicContact OD2-NE 3.53Å; D387-R394 IonicContact OD2-NH2 2.68Å; D387-R394 PolarHBondContact OD2-NH2 2.97Å; H390-R394 WeakPolarHBondContact O-CG 3.4Å; H390-R394 PolarHBondContact O-N 2.95Å
395	P	94.5	Very high	93.9	Very high	119 Å²	119	80.3 Å²	80.3	77%	0.773	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-60.4	140.7	170.9	-22.5	34.3	0	0	0	111.5
396	A	95.3	Very high	93.8	Very high	12 Å²	12	79.5 Å²	79.5	10%	0.099	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-70	156.7	174.5	0	0	0	0	0	112	F192 R224 G225 I398	F192-A396 HydrophobicContact CE1-CB 3.77Å; F192-A396 VanDerWaalsContact CZ-CA 3.44Å; F192-A396 HydrophobicContact CZ-CB 3.68Å; R224-A396 VanDerWaalsContact O-CB 3.28Å; R224-A396 WeakPolarHBondContact O-CB 3.19Å; G225-A396 WeakPolarHBondContact O-CB 3.35Å; A396-I398 VanDerWaalsContact C-N 3.25Å; A396-I398 PolarHBondContact O-N 2.96Å
397	A	95.8	Very high	93.5	Very high	47 Å²	47	79.4 Å²	79.4	39%	0.388	41%	0.406	S	S	.	.	S	Bend	trans	-60.5	-32.8	-179.4	0	0	0	0	0	113.7	A189 F192 Y193	A189-A397 HydrophobicContact CB-CB 4.08Å; F192-A397 HydrophobicContact CB-CB 3.7Å; F192-A397 HydrophobicContact CD1-CB 3.75Å; F192-A397 HydrophobicContact CD2-CB 4.47Å; F192-A397 HydrophobicContact CG-CB 3.7Å; Y193-A397 HydrophobicContact CE2-CB 4.49Å
398	I	94.8	Very high	93.4	Very high	33 Å²	33	78.5 Å²	78.5	17%	0.169	40%	0.402	C	S	.	.	S	Bend	trans	-123.7	122.5	173.6	-54.9	175.7	0	0	0	108.2	L178 L185 Y193 A396	L178-I398 HydrophobicContact CD1-CD1 4.23Å; L178-I398 HydrophobicContact CD2-CD1 4.14Å; L185-I398 HydrophobicContact CD2-CD1 3.92Å; Y193-I398 HydrophobicContact CE2-CD1 4.01Å; Y193-I398 HydrophobicContact CE2-CG1 4.2Å; Y193-I398 VanDerWaalsContact OH-CB 3.3Å; Y193-I398 WeakPolarHBondContact OH-CB 3.36Å; Y193-I398 PolarHBondContact OH-N 3.32Å; A396-I398 VanDerWaalsContact C-N 3.25Å; A396-I398 PolarHBondContact O-N 2.96Å
399	S	91.5	Very high	93.2	Very high	99 Å²	99	79.5 Å²	79.5	69%	0.692	42%	0.416	S	S	*	.			trans	-71.5	136.3	174.8	-64.8	0	0	0	0	110.7
400	I	92.5	Very high	93.1	Very high	27 Å²	27	73 Å²	73	14%	0.138	39%	0.386	C	S	.	.			trans	-88.9	117.3	175.8	-61.2	-58.1	0	0	0	109	L221 G225 I402	L221-I400 HydrophobicContact CB-CD1 4.38Å; L221-I400 HydrophobicContact CD1-CD1 4.11Å; G225-I400 VanDerWaalsContact CA-CG1 3.43Å; I400-I402 HydrophobicContact CG2-CG2 3.73Å; I400-I402 PolarHBondContact O-N 3.5Å
401	E	90.9	Very high	92.8	Very high	169 Å²	169	71.1 Å²	71.1	79%	0.79	38%	0.377	S	S	*	.			trans	-86.9	109.1	174.9	-65.4	-179.8	-164.5	0	0	109.6
402	I	91.8	Very high	92.2	Very high	59 Å²	59	71.9 Å²	71.9	30%	0.303	38%	0.381	S	S	.	.			trans	-132.4	142.8	176.3	50.9	163.7	0	0	0	110	P171 I400 D407	P171-I402 HydrophobicContact CB-CD1 4.41Å; P171-I402 HydrophobicContact CB-CG2 3.97Å; P171-I402 HydrophobicContact CG-CD1 3.89Å; P171-I402 HydrophobicContact CG-CG2 4.44Å; I400-I402 HydrophobicContact CG2-CG2 3.73Å; I400-I402 PolarHBondContact O-N 3.5Å; I402-D407 HydrophobicContact CB-CB 4.21Å; I402-D407 HydrophobicContact CG2-CB 4.29Å
403	K	91.9	Very high	91.7	Very high	202 Å²	202	76.4 Å²	76.4	88%	0.878	41%	0.408	S	S	*	.	S	Bend	trans	-97.9	-24	-176.9	-62.9	174.5	-176.4	172.9	0	113	D407	K403-D407 WeakPolarHBondContact CB-OD2 2.81Å; K403-D407 PolarHBondContact N-OD2 2.76Å
404	S	91.9	Very high	91.3	Very high	55 Å²	55	71.4 Å²	71.4	39%	0.385	38%	0.384	S	S	.	.	S	Bend	trans	-154.1	169.8	-177.2	60.4	0	0	0	0	111.4	D406 D407	S404-D406 WeakPolarHBondContact CB-OD1 3.27Å; S404-D406 PolarHBondContact O-N 2.96Å; S404-D406 PolarHBondContact OG-OD1 2.9Å; S404-D407 WeakPolarHBondContact O-CB 3.4Å; S404-D407 PolarHBondContact O-N 3.45Å; S404-D407 PolarHBondContact OG-N 3.37Å
405	I	89.1	Confident	91	Very high	119 Å²	119	69.4 Å²	69.4	61%	0.61	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.2	-179.4	59.8	168	0	0	0	113.6	I115 F169	I115-I405 HydrophobicContact CG1-CD1 3.95Å; I115-I405 HydrophobicContact CG1-CG1 4.24Å; F169-I405 WeakPolarHBondContact CD1-O 3.44Å
406	D	90.8	Very high	90.4	Very high	70 Å²	70	69.5 Å²	69.5	37%	0.374	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	14	179.4	60.9	-20.5	0	0	0	111.8	L106 I115 S404 T408	L106-D406 HydrophobicContact CD2-CB 4Å; I115-D406 HydrophobicContact CD1-CB 4.24Å; I115-D406 HydrophobicContact CG1-CB 4.32Å; S404-D406 WeakPolarHBondContact CB-OD1 3.27Å; S404-D406 PolarHBondContact O-N 2.96Å; S404-D406 PolarHBondContact OG-OD1 2.9Å; D406-T408 PolarHBondContact O-N 2.82Å
407	D	92.9	Very high	89.7	Confident	22 Å²	22	70 Å²	70	12%	0.118	38%	0.381	C	S	.	.			trans	-64.8	127.4	179.8	-163.1	-18.4	0	0	0	110.8	F169 I402 K403 S404 S409	F169-D407 WeakPolarHBondContact CZ-O 3.43Å; I402-D407 HydrophobicContact CB-CB 4.21Å; I402-D407 HydrophobicContact CG2-CB 4.29Å; K403-D407 WeakPolarHBondContact CB-OD2 2.81Å; K403-D407 PolarHBondContact N-OD2 2.76Å; S404-D407 WeakPolarHBondContact O-CB 3.4Å; S404-D407 PolarHBondContact O-N 3.45Å; S404-D407 PolarHBondContact OG-N 3.37Å; D407-S409 VanDerWaalsContact OD1-CB 3.27Å; D407-S409 WeakPolarHBondContact OD1-CB 3.42Å; D407-S409 PolarHBondContact OD1-N 3.15Å; D407-S409 PolarHBondContact OD1-OG 3.28Å
408	T	93.9	Very high	88.9	Confident	20 Å²	20	73 Å²	73	12%	0.123	39%	0.39	C	S	.	.			trans	-115.6	15.2	-179.6	56.5	0	0	0	0	112.8	K94 I96 L106 F169 D406 N410 F411	K94-T408 HydrophobicContact CD-CG2 4.09Å; K94-T408 VanDerWaalsContact CD-OG1 3.25Å; K94-T408 WeakPolarHBondContact CD-OG1 3.42Å; K94-T408 PolarHBondContact NZ-OG1 3.02Å; K94-T408 VanDerWaalsContact NZ-OG1 3.14Å; I96-T408 HydrophobicContact CG2-CG2 3.69Å; L106-T408 HydrophobicContact CD2-CG2 3.75Å; F169-T408 HydrophobicContact CZ-CG2 4.24Å; D406-T408 PolarHBondContact O-N 2.82Å; T408-N410 PolarHBondContact O-N 3.08Å; T408-N410 VanDerWaalsContact O-N 3.15Å; T408-F411 PolarHBondContact O-N 3.37Å
409	S	92.6	Very high	88.1	Confident	67 Å²	67	71.8 Å²	71.8	47%	0.469	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.2	179.3	65.8	0	0	0	0	114.6	K181 D407 F411	K181-S409 PolarHBondContact NZ-O 2.96Å; D407-S409 VanDerWaalsContact OD1-CB 3.27Å; D407-S409 WeakPolarHBondContact OD1-CB 3.42Å; D407-S409 PolarHBondContact OD1-N 3.15Å; D407-S409 PolarHBondContact OD1-OG 3.28Å; S409-F411 VanDerWaalsContact C-N 3.33Å
410	N	92.3	Very high	87.5	Confident	25 Å²	25	69.1 Å²	69.1	13%	0.134	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.9	175.7	-64.5	-42.3	0	0	0	113.6	P171 T177 K181 T408	P171-N410 WeakPolarHBondContact O-CB 3.4Å; P171-N410 PolarHBondContact O-ND2 3.31Å; T177-N410 WeakPolarHBondContact CG2-O 3.48Å; K181-N410 PolarHBondContact NZ-OD1 2.85Å; T408-N410 PolarHBondContact O-N 3.08Å; T408-N410 VanDerWaalsContact O-N 3.15Å
411	F	89.8	Confident	86.6	Confident	33 Å²	33	72.9 Å²	72.9	15%	0.145	38%	0.379	C	S	.	.	S	Bend	trans	-112.8	155.4	175.9	-62.5	-93.8	0	0	0	110.6	I96 F169 L170 T408 S409	I96-F411 HydrophobicContact CB-CB 4.47Å; I96-F411 HydrophobicContact CB-CD1 3.92Å; I96-F411 HydrophobicContact CB-CE1 4.34Å; I96-F411 HydrophobicContact CB-CG 4.13Å; I96-F411 HydrophobicContact CD1-CE1 4.33Å; I96-F411 HydrophobicContact CG2-CG 4.45Å; I96-F411 WeakPolarHBondContact O-CD1 3.42Å; F169-F411 HydrophobicContact CD2-CZ 4.45Å; F169-F411 HydrophobicContact CE2-CD2 4.41Å; F169-F411 AromaticContact CE2-CE2 3.47Å; F169-F411 HydrophobicContact CE2-CE2 3.47Å; F169-F411 VanDerWaalsContact CE2-CE2 3.47Å; F169-F411 AromaticContact CE2-CZ 3.54Å; F169-F411 HydrophobicContact CE2-CZ 3.54Å; F169-F411 HydrophobicContact CZ-CD2 4.45Å; F169-F411 AromaticContact CZ-CE2 3.64Å; F169-F411 HydrophobicContact CZ-CE2 3.64Å; F169-F411 HydrophobicContact CZ-CZ 4.18Å; L170-F411 VanDerWaalsContact O-CZ 3.29Å; L170-F411 WeakPolarHBondContact O-CZ 3.37Å; T408-F411 PolarHBondContact O-N 3.37Å; S409-F411 VanDerWaalsContact C-N 3.33Å
412	D	85.3	Confident	85.4	Confident	27 Å²	27	70.2 Å²	70.2	14%	0.144	38%	0.377	C	S	.	.			trans	-70.3	151.2	169.6	-76.3	-32.4	0	0	0	111.6	R277 F414	R277-D412 IonicContact CZ-OD1 2.98Å; R277-D412 IonicContact CZ-OD2 3Å; R277-D412 IonicContact NE-OD2 3.36Å; R277-D412 PolarHBondContact NE-OD2 3.41Å; R277-D412 IonicContact NH1-OD1 2.85Å; R277-D412 PolarHBondContact NH1-OD1 3Å; R277-D412 IonicContact NH1-OD2 3.07Å; R277-D412 PolarHBondContact NH1-OD2 3.22Å; R277-D412 VanDerWaalsContact NH1-OD2 3.07Å; R277-D412 IonicContact NH2-OD1 2.65Å; R277-D412 PolarHBondContact NH2-OD1 3.35Å; R277-D412 IonicContact NH2-OD2 3.31Å; R277-D412 PolarHBondContact NH2-OD2 2.98Å; D412-F414 HydrophobicContact CB-CE2 3.81Å; D412-F414 HydrophobicContact CB-CZ 4.05Å; D412-F414 WeakPolarHBondContact O-CD2 3.42Å; D412-F414 WeakPolarHBondContact O-CE2 3.43Å
413	D	85.3	Confident	83.7	Confident	131 Å²	131	70.5 Å²	70.5	70%	0.701	39%	0.387	S	S	*	.			trans	-80.1	121.8	172.5	-72.8	-41.4	0	0	0	110.2	K94	K94-D413 WeakPolarHBondContact CE-OD1 3.41Å; K94-D413 IonicContact NZ-OD1 2.73Å; K94-D413 PolarHBondContact NZ-OD1 2.92Å
414	F	84.4	Confident	82	Confident	35 Å²	35	66.5 Å²	66.5	15%	0.154	38%	0.376	C	S	.	.			trans	-110	138.4	174.9	-64.3	-87.8	0	0	0	109.8	V95 I96 R98 Y281 D412	V95-F414 HydrophobicContact CB-CB 3.99Å; V95-F414 HydrophobicContact CG1-CB 3.68Å; V95-F414 HydrophobicContact CG1-CG 4.18Å; I96-F414 WeakPolarHBondContact O-CE2 3.38Å; R98-F414 HydrophobicContact CB-CD1 4.17Å; R98-F414 HydrophobicContact CB-CE1 4.04Å; R98-F414 HydrophobicContact CG-CD1 3.73Å; R98-F414 HydrophobicContact CG-CE1 4.12Å; R98-F414 HydrophobicContact CG-CG 4.37Å; Y281-F414 AromaticContact CE1-CE1 3.59Å; Y281-F414 HydrophobicContact CE1-CE1 3.59Å; Y281-F414 AromaticContact CE1-CZ 3.95Å; Y281-F414 HydrophobicContact CE1-CZ 3.95Å; Y281-F414 HydrophobicContact CE2-CE1 4.38Å; Y281-F414 AromaticContact CZ-CE1 3.44Å; Y281-F414 VanDerWaalsContact CZ-CE1 3.44Å; Y281-F414 AromaticContact CZ-CZ 3.83Å; Y281-F414 WeakPolarHBondContact OH-CE1 3.35Å; Y281-F414 WeakPolarHBondContact OH-CZ 3.46Å; D412-F414 HydrophobicContact CB-CE2 3.81Å; D412-F414 HydrophobicContact CB-CZ 4.05Å; D412-F414 WeakPolarHBondContact O-CD2 3.42Å; D412-F414 WeakPolarHBondContact O-CE2 3.43Å
415	P	84.3	Confident	80.1	Confident	87 Å²	87	69.2 Å²	69.2	57%	0.565	40%	0.402	S	S	*	.			trans	-63.8	156.7	170.6	25.9	-30	0	0	0	110.1	R98	R98-P415 PolarHBondContact NH2-O 3.28Å
416	E	81.4	Confident	78.4	Confident	120 Å²	120	69.7 Å²	69.7	56%	0.561	41%	0.41	S	S	*	.			trans	-58.7	155.7	170.1	-84.4	-66.3	156.3	0	0	111.1	R98 R105	R98-E416 PolarHBondContact NH2-O 2.98Å; R105-E416 IonicContact CZ-OE2 3.29Å; R105-E416 IonicContact NH1-OE1 2.77Å; R105-E416 IonicContact NH1-OE2 2.6Å; R105-E416 PolarHBondContact NH1-OE2 3.47Å; R105-E416 IonicContact NH2-OE2 2.7Å; R105-E416 PolarHBondContact NH2-OE2 3.32Å
417	S	80.3	Confident	76.8	Confident	23 Å²	23	71.5 Å²	71.5	16%	0.161	42%	0.416	C	S	.	.			trans	-134	156.2	178.8	93.5	0	0	0	0	111.1	E103 R105 I419	E103-S417 PolarHBondContact OE1-OG 3.44Å; E103-S417 VanDerWaalsContact OE1-OG 3.07Å; E103-S417 WeakPolarHBondContact OE2-CB 3.42Å; E103-S417 PolarHBondContact OE2-OG 2.97Å; R105-S417 PolarHBondContact NH2-O 3.41Å; R105-S417 VanDerWaalsContact NH2-O 3.09Å; R105-S417 PolarHBondContact NH2-OG 3.07Å; S417-I419 PolarHBondContact O-N 3.45Å; S417-I419 PolarHBondContact OG-N 2.81Å
418	D	78.4	Confident	74.9	Confident	109 Å²	109	74.8 Å²	74.8	58%	0.583	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-82.1	10.3	-178.2	-58.3	-24.6	0	0	0	113.2	L420 Q421	D418-L420 PolarHBondContact O-N 3.06Å; D418-L420 VanDerWaalsContact O-N 3.15Å; D418-Q421 HydrophobicContact CB-CB 4.44Å; D418-Q421 HydrophobicContact CB-CG 3.97Å; D418-Q421 WeakPolarHBondContact O-CB 3.46Å; D418-Q421 PolarHBondContact O-N 3.48Å; D418-Q421 PolarHBondContact OD1-NE2 3.4Å
419	I	79.1	Confident	73	Confident	8 Å²	8	78.8 Å²	78.8	4%	0.041	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-62.9	-26.8	-173.8	-155.2	168.8	0	0	0	113.1	E103 I120 R122 N162 S417	E103-I419 VanDerWaalsContact CD-CG2 3.42Å; E103-I419 HydrophobicContact CG-CD1 4.13Å; E103-I419 HydrophobicContact CG-CG2 3.89Å; E103-I419 WeakPolarHBondContact OE1-CG2 3.41Å; I120-I419 HydrophobicContact CB-CD1 4.23Å; I120-I419 HydrophobicContact CD1-CG2 3.89Å; I120-I419 HydrophobicContact CG2-CD1 3.83Å; I120-I419 HydrophobicContact CG2-CG1 4.09Å; I120-I419 HydrophobicContact CG2-CG2 4.43Å; R122-I419 HydrophobicContact CG-CD1 4Å; R122-I419 HydrophobicContact CG-CG1 4.23Å; N162-I419 PolarHBondContact ND2-O 3.31Å; S417-I419 PolarHBondContact O-N 3.45Å; S417-I419 PolarHBondContact OG-N 2.81Å
420	L	78.9	Confident	71.3	Confident	43 Å²	43	80.1 Å²	80.1	23%	0.225	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-91.9	-3.4	177.2	-65.1	-171	0	0	0	113	L87 R105 M118 I120 Y164 D418	L87-L420 HydrophobicContact CD1-CD2 3.93Å; L87-L420 HydrophobicContact CD2-CD2 3.9Å; R105-L420 VanDerWaalsContact CZ-CD1 3.48Å; M118-L420 HydrophobicContact CE-CD1 4.49Å; M118-L420 HydrophobicContact CE-CD2 4.39Å; I120-L420 HydrophobicContact CD1-CD2 3.61Å; I120-L420 HydrophobicContact CD1-CG 4.2Å; Y164-L420 HydrophobicContact CE1-CD2 4.29Å; D418-L420 PolarHBondContact O-N 3.06Å; D418-L420 VanDerWaalsContact O-N 3.15Å
421	Q	74.3	Confident	69.5	Low	106 Å²	106	85.5 Å²	85.5	50%	0.495	48%	0.479	S	S	.	.	S	Bend	trans	-67.6	141.6	178.1	-69.3	-167.3	19.7	0	0	110.9	R161 D418	R161-Q421 PolarHBondContact NH1-O 3.01Å; D418-Q421 HydrophobicContact CB-CB 4.44Å; D418-Q421 HydrophobicContact CB-CG 3.97Å; D418-Q421 WeakPolarHBondContact O-CB 3.46Å; D418-Q421 PolarHBondContact O-N 3.48Å; D418-Q421 PolarHBondContact OD1-NE2 3.4Å
422	P	64.3	Low	67.7	Low	114 Å²	114	87.6 Å²	87.6	74%	0.74	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-63.3	162.5	179	25.2	-32.8	0	0	0	111.9	R161 N424	R161-P422 PolarHBondContact NH1-O 3.19Å; R161-P422 VanDerWaalsContact NH1-O 3.12Å; P422-N424 PolarHBondContact O-N 2.89Å
423	A	57.4	Low	66.6	Low	64 Å²	64	91.8 Å²	91.8	53%	0.529	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-71.9	123.4	-174.6	0	0	0	0	0	115.2	R161	R161-A423 VanDerWaalsContact NE-CB 3.26Å
424	N	54.9	Low	65.7	Low	119 Å²	119	88 Å²	88	64%	0.636	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-65.3	137.7	163.4	-77.3	-12.5	0	0	0	108.2	P422 T426 E427	P422-N424 PolarHBondContact O-N 2.89Å; N424-T426 PolarHBondContact O-N 3.41Å; N424-E427 PolarHBondContact O-N 3.15Å
425	A	53.2	Low	64.9	Low	112 Å²	112	92.1 Å²	92.1	93%	0.926	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-6.1	-174.3	0	0	0	0	0	115
426	T	52.7	Low	64.2	Low	128 Å²	128	88.9 Å²	88.9	79%	0.785	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.2	-176.4	48.7	0	0	0	0	114.7	N424	N424-T426 PolarHBondContact O-N 3.41Å
427	E	56.8	Low	64	Low	108 Å²	108	83.5 Å²	83.5	51%	0.505	46%	0.463	S	S	.	.	S	Bend	trans	-74.5	139.3	177.1	-95.1	-173.3	-164.2	0	0	112.7	R161 N424 D429	R161-E427 IonicContact CZ-OE1 3.53Å; R161-E427 IonicContact CZ-OE2 3.4Å; R161-E427 IonicContact NE-OE1 2.74Å; R161-E427 IonicContact NE-OE2 3.09Å; R161-E427 PolarHBondContact NE-OE2 3.32Å; R161-E427 IonicContact NH2-OE1 3.83Å; R161-E427 PolarHBondContact NH2-OE1 3.25Å; R161-E427 IonicContact NH2-OE2 2.93Å; R161-E427 PolarHBondContact NH2-OE2 3.39Å; N424-E427 PolarHBondContact O-N 3.15Å; E427-D429 PolarHBondContact O-N 3.43Å
428	P	54.3	Low	63.5	Low	92 Å²	92	85.1 Å²	85.1	60%	0.597	47%	0.469	S	S	*	.			trans	-59	124.6	-179.6	18.5	-26.2	0	0	0	110.7	F430	P428-F430 HydrophobicContact CB-CE2 4.34Å; P428-F430 HydrophobicContact CG-CD2 4.43Å; P428-F430 HydrophobicContact CG-CE2 3.8Å; P428-F430 HydrophobicContact CG-CZ 4.35Å; P428-F430 WeakPolarHBondContact O-CD2 3.44Å; P428-F430 PolarHBondContact O-N 2.93Å
429	D	54.1	Low	63.2	Low	104 Å²	104	83.7 Å²	83.7	56%	0.556	46%	0.461	S	S	*	.			trans	-70.1	91.4	179.2	-163	15.9	0	0	0	109	E427 K431	E427-D429 PolarHBondContact O-N 3.43Å; D429-K431 PolarHBondContact O-N 3.03Å; D429-K431 WeakPolarHBondContact OD1-CD 3.38Å; D429-K431 VanDerWaalsContact OD1-CE 3.25Å; D429-K431 WeakPolarHBondContact OD1-CE 3.39Å; D429-K431 VanDerWaalsContact OD1-CG 3.27Å; D429-K431 WeakPolarHBondContact OD1-CG 3.48Å; D429-K431 IonicContact OD1-NZ 3.73Å; D429-K431 WeakPolarHBondContact OD2-CD 3.39Å; D429-K431 WeakPolarHBondContact OD2-CE 3.36Å; D429-K431 IonicContact OD2-NZ 3.04Å; D429-K431 PolarHBondContact OD2-NZ 3.32Å
430	F	55.6	Low	63.2	Low	94 Å²	94	83.5 Å²	83.5	41%	0.412	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-68.4	16.9	179.8	-80.6	-82	0	0	0	114.4	A124 L127 P428 S432 K433	A124-F430 HydrophobicContact CB-CE2 3.96Å; A124-F430 HydrophobicContact CB-CZ 4.15Å; L127-F430 HydrophobicContact CD1-CD1 4.15Å; P428-F430 HydrophobicContact CB-CE2 4.34Å; P428-F430 HydrophobicContact CG-CD2 4.43Å; P428-F430 HydrophobicContact CG-CE2 3.8Å; P428-F430 HydrophobicContact CG-CZ 4.35Å; P428-F430 WeakPolarHBondContact O-CD2 3.44Å; P428-F430 PolarHBondContact O-N 2.93Å; F430-S432 PolarHBondContact O-N 2.86Å; F430-K433 PolarHBondContact O-N 3.25Å
431	K	55	Low	63.4	Low	139 Å²	139	85.4 Å²	85.4	60%	0.604	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-49.3	-26.1	-179.3	-89.1	178.3	-161.7	149.7	0	114.7	D429 K433	D429-K431 PolarHBondContact O-N 3.03Å; D429-K431 WeakPolarHBondContact OD1-CD 3.38Å; D429-K431 VanDerWaalsContact OD1-CE 3.25Å; D429-K431 WeakPolarHBondContact OD1-CE 3.39Å; D429-K431 VanDerWaalsContact OD1-CG 3.27Å; D429-K431 WeakPolarHBondContact OD1-CG 3.48Å; D429-K431 IonicContact OD1-NZ 3.73Å; D429-K431 WeakPolarHBondContact OD2-CD 3.39Å; D429-K431 WeakPolarHBondContact OD2-CE 3.36Å; D429-K431 IonicContact OD2-NZ 3.04Å; D429-K431 PolarHBondContact OD2-NZ 3.32Å; K431-K433 VanDerWaalsContact C-N 3.27Å; K431-K433 PolarHBondContact O-N 3.46Å
432	S	52.2	Low	63.9	Low	77 Å²	77	83.1 Å²	83.1	54%	0.538	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-71.2	-16.4	-178.4	69.1	0	0	0	0	114.4	F430 W435	F430-S432 PolarHBondContact O-N 2.86Å; S432-W435 PolarHBondContact O-NE1 3.02Å
433	K	61.3	Low	64.7	Low	114 Å²	114	78.7 Å²	78.7	50%	0.496	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	1.9	-177.7	-67.6	-172	-179.7	-179	0	115.5	L127 F430 K431 W435 V436	L127-K433 HydrophobicContact CD1-CB 4.11Å; L127-K433 HydrophobicContact CD2-CB 4.33Å; L127-K433 HydrophobicContact CD2-CD 4.35Å; F430-K433 PolarHBondContact O-N 3.25Å; K431-K433 VanDerWaalsContact C-N 3.27Å; K431-K433 PolarHBondContact O-N 3.46Å; K433-W435 PolarHBondContact O-N 3.38Å; K433-V436 WeakPolarHBondContact O-CG2 3.02Å; K433-V436 PolarHBondContact O-N 3.02Å; K433-V436 VanDerWaalsContact O-N 3.09Å
434	D	65.9	Low	65.9	Low	53 Å²	53	76 Å²	76	28%	0.283	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.5	-179.5	-100.5	-24.2	0	0	0	113.9	K123 V436 F437	K123-D434 IonicContact NZ-OD1 3.37Å; K123-D434 PolarHBondContact NZ-OD1 3.27Å; D434-V436 PolarHBondContact O-N 3.19Å; D434-V436 VanDerWaalsContact O-N 3.12Å; D434-F437 PolarHBondContact O-N 2.87Å
435	W	67.6	Low	66.8	Low	121 Å²	121	71.8 Å²	71.8	46%	0.458	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.9	177.5	66	-92.3	0	0	0	113.4	V23 L26 S432 K433 F437 L438	V23-W435 HydrophobicContact CG2-CB 4.02Å; V23-W435 HydrophobicContact CG2-CG 4.47Å; L26-W435 HydrophobicContact CD1-CE3 4.46Å; S432-W435 PolarHBondContact O-NE1 3.02Å; K433-W435 PolarHBondContact O-N 3.38Å; W435-F437 PolarHBondContact O-N 3.03Å; W435-L438 HydrophobicContact CB-CD1 3.87Å; W435-L438 HydrophobicContact CB-CG 4.47Å; W435-L438 VanDerWaalsContact O-CB 3.27Å; W435-L438 WeakPolarHBondContact O-CB 3.48Å; W435-L438 VanDerWaalsContact O-CD1 3.26Å; W435-L438 WeakPolarHBondContact O-CD1 3.3Å; W435-L438 WeakPolarHBondContact O-CG 3.3Å; W435-L438 PolarHBondContact O-N 3.01Å; W435-L438 VanDerWaalsContact O-N 3.11Å
436	V	70.4	Confident	67.4	Low	19 Å²	19	69.8 Å²	69.8	12%	0.115	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-68.6	-18.1	176.2	-57.3	0	0	0	0	113	L127 V132 R136 K433 D434	L127-V436 HydrophobicContact CD2-CG2 3.89Å; V132-V436 HydrophobicContact CG1-CB 4.19Å; V132-V436 HydrophobicContact CG1-CG2 4.27Å; V132-V436 HydrophobicContact CG2-CG2 4.28Å; R136-V436 PolarHBondContact NE-O 3.25Å; R136-V436 PolarHBondContact NH2-O 2.96Å; K433-V436 WeakPolarHBondContact O-CG2 3.02Å; K433-V436 PolarHBondContact O-N 3.02Å; K433-V436 VanDerWaalsContact O-N 3.09Å; D434-V436 PolarHBondContact O-N 3.19Å; D434-V436 VanDerWaalsContact O-N 3.12Å
437	F	77	Confident	67.7	Low	7 Å²	7	64 Å²	64	3%	0.031	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-101.1	12.9	174.7	-52.9	-65.5	0	0	0	112.3	K123 M126 L127 V132 I135 Q158 L163 D434 W435 N439 Y440	K123-F437 HydrophobicContact CB-CE2 4.03Å; K123-F437 HydrophobicContact CB-CZ 4.35Å; K123-F437 HydrophobicContact CD-CD2 4.02Å; K123-F437 HydrophobicContact CD-CE2 4.02Å; K123-F437 HydrophobicContact CG-CD2 4.19Å; K123-F437 HydrophobicContact CG-CE2 3.82Å; K123-F437 HydrophobicContact CG-CZ 4.22Å; M126-F437 HydrophobicContact CB-CZ 4.28Å; L127-F437 HydrophobicContact CD1-CE2 4.39Å; L127-F437 HydrophobicContact CD2-CE2 4.38Å; L127-F437 HydrophobicContact CD2-CZ 4.26Å; L127-F437 HydrophobicContact CG-CE2 4.31Å; L127-F437 HydrophobicContact CG-CZ 4.21Å; V132-F437 HydrophobicContact CG1-CE1 4.24Å; V132-F437 HydrophobicContact CG2-CE1 4.05Å; V132-F437 HydrophobicContact CG2-CZ 4.13Å; I135-F437 HydrophobicContact CD1-CE1 4.05Å; Q158-F437 PolarHBondContact NE2-O 2.83Å; L163-F437 HydrophobicContact CD1-CD1 3.68Å; L163-F437 HydrophobicContact CD1-CE1 3.67Å; L163-F437 HydrophobicContact CD1-CG 4.48Å; L163-F437 HydrophobicContact CD1-CZ 4.44Å; L163-F437 HydrophobicContact CD2-CB 4.21Å; L163-F437 HydrophobicContact CD2-CD1 4.02Å; L163-F437 HydrophobicContact CD2-CG 4.03Å; L163-F437 HydrophobicContact CG-CD1 4.42Å; D434-F437 PolarHBondContact O-N 2.87Å; W435-F437 PolarHBondContact O-N 3.03Å; F437-N439 PolarHBondContact O-N 3.25Å; F437-Y440 VanDerWaalsContact O-CB 3.22Å; F437-Y440 WeakPolarHBondContact O-CB 3.14Å; F437-Y440 PolarHBondContact O-N 3.29Å; F437-Y440 VanDerWaalsContact O-N 3.14Å
438	L	69.3	Low	67.5	Low	56 Å²	56	60.9 Å²	60.9	29%	0.293	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	140.3	166.8	-76.5	163.5	0	0	0	109.2	L26 W435 Y440	L26-L438 HydrophobicContact CB-CD1 4.48Å; W435-L438 HydrophobicContact CB-CD1 3.87Å; W435-L438 HydrophobicContact CB-CG 4.47Å; W435-L438 VanDerWaalsContact O-CB 3.27Å; W435-L438 WeakPolarHBondContact O-CB 3.48Å; W435-L438 VanDerWaalsContact O-CD1 3.26Å; W435-L438 WeakPolarHBondContact O-CD1 3.3Å; W435-L438 WeakPolarHBondContact O-CG 3.3Å; W435-L438 PolarHBondContact O-N 3.01Å; W435-L438 VanDerWaalsContact O-N 3.11Å; L438-Y440 PolarHBondContact O-N 3Å
439	N	72.4	Confident	67	Low	79 Å²	79	59.6 Å²	59.6	42%	0.422	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	5.1	-178.2	-49.4	-15.4	0	0	0	115.4	N30 R139 F437 T441	N30-N439 VanDerWaalsContact CG-CG 3.4Å; N30-N439 VanDerWaalsContact CG-ND2 3.33Å; N30-N439 PolarHBondContact ND2-OD1 3.09Å; N30-N439 PolarHBondContact OD1-ND2 3.47Å; N30-N439 PolarHBondContact OD1-OD1 3.34Å; R139-N439 PolarHBondContact NH1-O 3.29Å; F437-N439 PolarHBondContact O-N 3.25Å; N439-T441 PolarHBondContact O-N 3.49Å
440	Y	80.1	Confident	66.8	Low	4 Å²	4	57.7 Å²	57.7	2%	0.016	28%	0.284	C	S	.	.			trans	-58.7	-30.5	177.6	-171.3	-100	0	0	0	112.7	I135 S156 F157 Q158 L163 Y164 L165 F437 L438 Y442	I135-Y440 HydrophobicContact CG2-CD2 4.17Å; I135-Y440 HydrophobicContact CG2-CE2 3.52Å; S156-Y440 WeakPolarHBondContact CB-O 3.45Å; S156-Y440 PolarHBondContact OG-O 3.44Å; F157-Y440 WeakPolarHBondContact O-CD1 3.2Å; F157-Y440 WeakPolarHBondContact O-CE1 3.27Å; Q158-Y440 HydrophobicContact CB-CD1 4.18Å; L163-Y440 HydrophobicContact CB-CD1 4.44Å; L163-Y440 HydrophobicContact CB-CE1 3.74Å; L163-Y440 HydrophobicContact CB-CE2 4.25Å; L163-Y440 HydrophobicContact CD1-CD2 4.38Å; L163-Y440 HydrophobicContact CD1-CE2 4.07Å; L163-Y440 HydrophobicContact CD2-CD1 3.99Å; L163-Y440 HydrophobicContact CD2-CD2 4.4Å; L163-Y440 HydrophobicContact CD2-CE1 4.15Å; L163-Y440 HydrophobicContact CD2-CG 4.1Å; L163-Y440 HydrophobicContact CG-CE1 4.44Å; Y164-Y440 WeakPolarHBondContact O-CE1 3.27Å; L165-Y440 WeakPolarHBondContact CD1-OH 3.08Å; L165-Y440 WeakPolarHBondContact CG-OH 3.41Å; F437-Y440 VanDerWaalsContact O-CB 3.22Å; F437-Y440 WeakPolarHBondContact O-CB 3.14Å; F437-Y440 PolarHBondContact O-N 3.29Å; F437-Y440 VanDerWaalsContact O-N 3.14Å; L438-Y440 PolarHBondContact O-N 3Å; Y440-Y442 PolarHBondContact O-N 3.4Å
441	T	82.8	Confident	66	Low	83 Å²	83	61.8 Å²	61.8	51%	0.509	30%	0.297	S	S	.	.			trans	-72.5	123.8	-176.2	-51.4	0	0	0	0	112.8	S156 N439	S156-T441 CarbonylContact O-C 3.55Å; S156-T441 VanDerWaalsContact O-CA 3.23Å; S156-T441 WeakPolarHBondContact O-CA 3.4Å; S156-T441 WeakPolarHBondContact O-CG2 3.29Å; N439-T441 PolarHBondContact O-N 3.49Å
442	Y	84.3	Confident	65.2	Low	58 Å²	58	57.2 Å²	57.2	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	178.3	171.7	-96.8	0	0	0	111.6	V143 M153 Y155 S156 Y440 R444	V143-Y442 HydrophobicContact CB-CE2 4.27Å; V143-Y442 HydrophobicContact CG1-CD2 4.11Å; V143-Y442 HydrophobicContact CG1-CE2 3.53Å; V143-Y442 HydrophobicContact CG2-CD1 3.95Å; V143-Y442 HydrophobicContact CG2-CD2 3.69Å; V143-Y442 HydrophobicContact CG2-CE1 4.03Å; V143-Y442 HydrophobicContact CG2-CE2 3.78Å; V143-Y442 HydrophobicContact CG2-CG 3.76Å; M153-Y442 HydrophobicContact CE-CD1 3.43Å; M153-Y442 VanDerWaalsContact CE-CD1 3.43Å; M153-Y442 HydrophobicContact CE-CE1 3.79Å; M153-Y442 HydrophobicContact CE-CG 4.13Å; Y155-Y442 VanDerWaalsContact CA-O 3.32Å; Y155-Y442 WeakPolarHBondContact CA-O 3.49Å; S156-Y442 PolarHBondContact N-O 3.3Å; S156-Y442 PolarHBondContact O-N 3.27Å; S156-Y442 VanDerWaalsContact OG-CB 3.26Å; S156-Y442 WeakPolarHBondContact OG-CB 3.45Å; S156-Y442 PolarHBondContact OG-N 3.05Å; Y440-Y442 PolarHBondContact O-N 3.4Å; Y442-R444 HydrophobicContact CE1-CB 3.79Å
443	K	82.3	Confident	64.1	Low	22 Å²	22	59.3 Å²	59.3	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	120.4	172.6	-55.2	-170.4	-170	-164.3	0	110.7	F77 L80 T83 L85 Y155	F77-K443 WeakPolarHBondContact CE2-O 3.4Å; L80-K443 HydrophobicContact CD1-CD 4.37Å; L80-K443 HydrophobicContact CD2-CD 4.45Å; L80-K443 HydrophobicContact CG-CD 3.89Å; L80-K443 PolarHBondContact O-NZ 3.24Å; T83-K443 PolarHBondContact O-NZ 2.98Å; L85-K443 HydrophobicContact CD1-CD 3.94Å; L85-K443 HydrophobicContact CD1-CG 4.34Å; Y155-K443 HydrophobicContact CD1-CB 4.26Å; Y155-K443 HydrophobicContact CD1-CG 4.29Å
444	R	81.9	Confident	62.8	Low	7 Å²	7	58.8 Å²	58.8	3%	0.026	30%	0.301	C	S	.	.			trans	-74.2	136.5	179.3	-166.6	172.6	-73.1	-127.5	7.1	111.4	L142 D146 M153 F154 Y442 E446 G447	L142-R444 PolarHBondContact O-NH2 3.33Å; D146-R444 IonicContact OD1-NH1 3.95Å; D146-R444 PolarHBondContact OD1-NH1 3.33Å; M153-R444 PolarHBondContact O-NE 3.16Å; M153-R444 PolarHBondContact O-NH2 2.84Å; F154-R444 WeakPolarHBondContact O-CB 3.25Å; F154-R444 PolarHBondContact O-N 2.99Å; Y442-R444 HydrophobicContact CE1-CB 3.79Å; R444-E446 HydrophobicContact CG-CB 4.42Å; R444-G447 PolarHBondContact O-N 3.45Å
445	F	72.9	Confident	61.2	Low	30 Å²	30	58.6 Å²	58.6	13%	0.132	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.2	-48.6	177.3	-175.6	-103.7	0	0	0	112.5	K73 E74 F77 G447 L448	K73-F445 HydrophobicContact CB-CZ 4.05Å; E74-F445 HydrophobicContact CG-CE2 4.23Å; E74-F445 HydrophobicContact CG-CZ 4.14Å; E74-F445 WeakPolarHBondContact OE1-CE2 3.41Å; E74-F445 WeakPolarHBondContact OE1-CZ 3.49Å; F77-F445 HydrophobicContact CB-CD2 3.73Å; F77-F445 HydrophobicContact CB-CE2 3.7Å; F77-F445 AromaticContact CD1-CD2 3.41Å; F77-F445 HydrophobicContact CD1-CD2 3.41Å; F77-F445 VanDerWaalsContact CD1-CD2 3.41Å; F77-F445 AromaticContact CD1-CE2 3.94Å; F77-F445 HydrophobicContact CD1-CE2 3.94Å; F77-F445 HydrophobicContact CD2-CB 4.42Å; F77-F445 AromaticContact CD2-CD2 3.84Å; F77-F445 HydrophobicContact CD2-CD2 3.84Å; F77-F445 HydrophobicContact CE1-CB 4.35Å; F77-F445 AromaticContact CE1-CD2 3.74Å; F77-F445 HydrophobicContact CE1-CD2 3.74Å; F77-F445 VanDerWaalsContact CE2-CA 3.44Å; F77-F445 HydrophobicContact CE2-CB 4.08Å; F77-F445 HydrophobicContact CE2-CD2 4.2Å; F77-F445 AromaticContact CG-CD2 3.4Å; F77-F445 HydrophobicContact CG-CD2 3.4Å; F77-F445 AromaticContact CG-CE2 3.89Å; F77-F445 HydrophobicContact CG-CE2 3.89Å; F77-F445 HydrophobicContact CG-CG 4.48Å; F77-F445 HydrophobicContact CZ-CB 3.99Å; F77-F445 HydrophobicContact CZ-CD2 4.12Å; F445-G447 PolarHBondContact O-N 3.07Å; F445-L448 WeakPolarHBondContact O-CD1 2.92Å; F445-L448 PolarHBondContact O-N 3.38Å
446	E	67.4	Low	59.4	Low	71 Å²	71	60.9 Å²	60.9	33%	0.332	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-67.2	-14.8	179.3	-66.7	135.1	-144.7	0	0	113.9	K152 R444 L448 T449	K152-E446 WeakPolarHBondContact CE-OE2 3.09Å; K152-E446 IonicContact NZ-OE2 3.01Å; K152-E446 PolarHBondContact NZ-OE2 3.08Å; R444-E446 HydrophobicContact CG-CB 4.42Å; E446-L448 PolarHBondContact O-N 3.48Å; E446-T449 PolarHBondContact O-N 2.97Å; E446-T449 PolarHBondContact O-OG1 3.15Å
447	G	57.6	Low	58.2	Low	5 Å²	5	68.1 Å²	68.1	5%	0.052	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-61.5	-12.6	174	0	0	0	0	0	113.5	R444 F445	R444-G447 PolarHBondContact O-N 3.45Å; F445-G447 PolarHBondContact O-N 3.07Å
448	L	52.7	Low	56.2	Low	43 Å²	43	73.4 Å²	73.4	23%	0.225	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-77.5	-25.4	174.2	-69.6	160.9	0	0	0	113.8	E76 F77 L80 F445 E446	E76-L448 HydrophobicContact CB-CD2 4.2Å; F77-L448 VanDerWaalsContact CA-CD1 3.5Å; F77-L448 HydrophobicContact CB-CD1 3.46Å; F77-L448 VanDerWaalsContact CB-CD1 3.46Å; F77-L448 HydrophobicContact CD2-CD1 3.83Å; F77-L448 HydrophobicContact CG-CD1 4.09Å; L80-L448 HydrophobicContact CB-CD2 4.23Å; L80-L448 HydrophobicContact CD2-CD2 3.87Å; L80-L448 HydrophobicContact CD2-CG 4.17Å; F445-L448 WeakPolarHBondContact O-CD1 2.92Å; F445-L448 PolarHBondContact O-N 3.38Å; E446-L448 PolarHBondContact O-N 3.48Å
449	T	43.7	Very low	54.7	Low	66 Å²	66	78.6 Å²	78.6	41%	0.405	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.5	-174.9	50.1	0	0	0	0	113.3	K73 E446 R451	K73-T449 HydrophobicContact CD-CG2 4.14Å; E446-T449 PolarHBondContact O-N 2.97Å; E446-T449 PolarHBondContact O-OG1 3.15Å; T449-R451 PolarHBondContact O-N 3Å
450	Q	49.5	Very low	52.9	Low	63 Å²	63	79.3 Å²	79.3	29%	0.294	41%	0.41	S	S	.	.			trans	-78.2	51.7	165.2	-65.4	-171.9	-14.6	0	0	110.4	H114 Y116	H114-Q450 PolarHBondContact CD2-O 2.82Å; H114-Q450 PolarHBondContact CE1-O 3.25Å; H114-Q450 PolarHBondContact ND1-O 2.69Å; H114-Q450 PolarHBondContact NE2-O 3.45Å; Y116-Q450 PolarHBondContact OH-OE1 3.3Å
451	R	39.2	Very low	51	Low	181 Å²	181	82.1 Å²	82.1	68%	0.683	44%	0.44	S	S	*	.	S	Bend	trans	-96.6	85	150.9	-81.7	-172.5	175.8	-170.6	-2.2	105.1	T449 T453	T449-R451 PolarHBondContact O-N 3Å; R451-T453 PolarHBondContact O-N 2.98Å
452	G	38	Very low	48.7	Very low	43 Å²	43	88.2 Å²	88.2	44%	0.443	46%	0.459	S	S	.	.			trans	47.2	69.5	165.7	0	0	0	0	0	114.1	H114 I454	H114-G452 PolarHBondContact CE1-N 3.38Å; H114-G452 VanDerWaalsContact CE1-N 3.27Å; H114-G452 PolarHBondContact NE2-N 3.02Å; G452-I454 PolarHBondContact O-N 2.95Å
453	T	30.8	Very low	46.2	Very low	121 Å²	121	94 Å²	94	74%	0.742	52%	0.519	S	S	*	.			trans	-67.2	87.1	142.2	35.5	0	0	0	0	106.3	R451 P455	R451-T453 PolarHBondContact O-N 2.98Å; T453-P455 VanDerWaalsContact O-CD 3.29Å; T453-P455 WeakPolarHBondContact O-CD 3.44Å; T453-P455 VanDerWaalsContact O-N 3.11Å
454	I	32.6	Very low	44.4	Very low	103 Å²	103	97.6 Å²	97.6	53%	0.528	54%	0.54	S	S	.	.			trans	-49.4	116.8	158.1	-65.2	172.3	0	0	0	104.8	G452 M456 M458	G452-I454 PolarHBondContact O-N 2.95Å; I454-M456 PolarHBondContact O-N 3.22Å; I454-M458 HydrophobicContact CG2-CB 3.32Å; I454-M458 HydrophobicContact CG2-CG 4.27Å; I454-M458 HydrophobicContact CG2-SD 4.07Å
455	P	32.4	Very low	42.5	Very low	49 Å²	49	102.3 Å²	102.3	32%	0.318	57%	0.567	S	S	.	*			trans	-51	141.2	179.2	-26.9	35	0	0	0	109.8	T453 Y457 M458	T453-P455 VanDerWaalsContact O-CD 3.29Å; T453-P455 WeakPolarHBondContact O-CD 3.44Å; T453-P455 VanDerWaalsContact O-N 3.11Å; P455-Y457 HydrophobicContact CB-CD1 3.37Å; P455-Y457 HydrophobicContact CB-CD2 4.36Å; P455-Y457 HydrophobicContact CB-CE1 3.06Å; P455-Y457 HydrophobicContact CB-CE2 4.09Å; P455-Y457 HydrophobicContact CB-CG 4.03Å; P455-Y457 VanDerWaalsContact CB-CZ 3.45Å; P455-Y457 HydrophobicContact CG-CD1 4.45Å; P455-Y457 HydrophobicContact CG-CE1 3.7Å; P455-Y457 HydrophobicContact CG-CE2 4.4Å; P455-Y457 PolarHBondContact O-N 2.89Å; P455-M458 PolarHBondContact O-N 3.3Å
456	M	30.8	Very low	40.8	Very low	169 Å²	169	106.3 Å²	106.3	83%	0.833	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-53.7	-26.9	-177	-78.8	-166.5	-175.1	0	0	113	I454 M458 K459	I454-M456 PolarHBondContact O-N 3.22Å; M456-M458 VanDerWaalsContact C-N 3.25Å; M456-M458 PolarHBondContact O-N 3.16Å; M456-K459 WeakPolarHBondContact O-CB 3.36Å; M456-K459 PolarHBondContact O-N 3.44Å
457	Y	44	Very low	39.2	Very low	171 Å²	171	108.4 Å²	108.4	67%	0.671	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-66.7	-19.8	176	66.1	-106.4	0	0	0	114.4	P455	P455-Y457 HydrophobicContact CB-CD1 3.37Å; P455-Y457 HydrophobicContact CB-CD2 4.36Å; P455-Y457 HydrophobicContact CB-CE1 3.06Å; P455-Y457 HydrophobicContact CB-CE2 4.09Å; P455-Y457 HydrophobicContact CB-CG 4.03Å; P455-Y457 VanDerWaalsContact CB-CZ 3.45Å; P455-Y457 HydrophobicContact CG-CD1 4.45Å; P455-Y457 HydrophobicContact CG-CE1 3.7Å; P455-Y457 HydrophobicContact CG-CE2 4.4Å; P455-Y457 PolarHBondContact O-N 2.89Å
458	M	36	Very low	38.1	Very low	117 Å²	117	114.9 Å²	114.9	58%	0.576	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-85.1	-6	172.1	-80.4	-171.8	-171.4	0	0	113.2	I454 P455 M456	I454-M458 HydrophobicContact CG2-CB 3.32Å; I454-M458 HydrophobicContact CG2-CG 4.27Å; I454-M458 HydrophobicContact CG2-SD 4.07Å; P455-M458 PolarHBondContact O-N 3.3Å; M456-M458 VanDerWaalsContact C-N 3.25Å; M456-M458 PolarHBondContact O-N 3.16Å
459	K	36.6	Very low	37.1	Very low	165 Å²	165	119.7 Å²	119.7	72%	0.717	67%	0.669	S	S	*	*	S	Bend	trans	-84	-14.3	173.9	-73.3	-173.5	175.7	-179.5	0	113.5	M456 G461	M456-K459 WeakPolarHBondContact O-CB 3.36Å; M456-K459 PolarHBondContact O-N 3.44Å; K459-G461 PolarHBondContact O-N 3.4Å
460	A	34.8	Very low	36.6	Very low	94 Å²	94	123.5 Å²	123.5	78%	0.777	69%	0.688	S	S	*	*	S	Bend	trans	-90.3	74.3	177.9	0	0	0	0	0	110.3
461	G	40.6	Very low	35.6	Very low	63 Å²	63	128.2 Å²	128.2	65%	0.649	72%	0.718	S	S	*	*	S	Bend	trans	175.6	45.5	-180	0	0	0	0	0	113.9	K459	K459-G461 PolarHBondContact O-N 3.4Å
462	K	35.5	Very low	35.3	Very low	211 Å²	211	123.8 Å²	123.8	92%	0.917	72%	0.721	S	S	*	*			trans	179.1	86.2	156.9	-100.4	166.8	-167.6	-173.1	0	109.2
463	A	31.9	Very low	35.1	Very low	179 Å²	179	131.1 Å²	131.1	100%	1.479	75%	0.746	S	S	*	*			trans	-155.2	0	143.1	0	0	0	0	0	106.5

Retrieved 463 of 463 residues in 138.2 ms (Link to these results)

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