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Guanine nucleotide-binding protein G(s) subunit alpha

Guanine nucleotide-binding protein (G protein) involved as transducer in olfactory signal transduction controlled by G protein-coupled receptors (GPCRs). Contains the guanine nucleotide binding site and alternates between an active, GTP-bound state and an inactive, GDP-bound state. Signaling by an activated GPCR promotes GDP release and GTP binding. The alpha subunit has a low GTPase activity that converts bound GTP to GDP, thereby terminating the signal. Both GDP release and GTP hydrolysis are modulated by numerous regulatory proteins. GNAL/G(olf) alpha specifically mediates olfactory signal transduction within the olfactory neuroepithelium and the basal ganglia following GPCRs activation. Acts by promoting the specific activation of adenylyl cyclase ADCY3, resulting in increased levels of the signaling molecule cAMP. Guanine nucleotide-binding proteins (G proteins) function as transducers in numerous signaling pathways controlled by G protein-coupled receptors (GPCRs).

AlphaFold DB , UniProt , Accession Z4YKV1, Species MOUSE (Mus musculus, Mouse), Gene Gnas, Length 379 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	42.1	Very low	58.8	Low	249 Å²	249	131.5 Å²	131.5	100%	1.227	78%	0.775	S	S	*	*				0	119.1	0	-74.2	-178.1	-167.2	0	0	107.4
2	G	43.9	Very low	60.6	Low	76 Å²	76	128.1 Å²	128.1	78%	0.784	75%	0.746	S	S	*	*			trans	-71.7	132.1	-169.2	0	0	0	0	0	113.2
3	C	46.8	Very low	62.3	Low	136 Å²	136	132.5 Å²	132.5	92%	0.919	74%	0.743	S	S	*	*			trans	-93.9	93.9	148	-87.1	0	0	0	0	106.4	G5	C3-G5 VanDerWaalsContact C-N 3.3Å; C3-G5 PolarHBondContact O-N 3Å
4	L	46.3	Very low	64.1	Low	169 Å²	169	130.1 Å²	130.1	89%	0.885	73%	0.727	S	S	*	*			trans	-63	94.9	164.5	-84.8	148.7	0	0	0	107.4	N6	L4-N6 PolarHBondContact O-N 3.08Å
5	G	53.2	Low	65.7	Low	67 Å²	67	129.1 Å²	129.1	69%	0.691	72%	0.715	S	S	*	*			trans	-67.5	111.2	166.4	0	0	0	0	0	108.3	C3 S7	C3-G5 VanDerWaalsContact C-N 3.3Å; C3-G5 PolarHBondContact O-N 3Å; G5-S7 VanDerWaalsContact C-N 3.27Å; G5-S7 PolarHBondContact O-N 3.03Å
6	N	52.7	Low	67.2	Low	156 Å²	156	124.8 Å²	124.8	83%	0.834	69%	0.687	S	S	*	*			trans	-59.1	89.4	167.1	-99.5	-1.3	0	0	0	108.9	L4 K8	L4-N6 PolarHBondContact O-N 3.08Å; N6-K8 PolarHBondContact O-N 3.1Å; N6-K8 VanDerWaalsContact O-N 3.14Å
7	S	62.7	Low	68.6	Low	111 Å²	111	124.8 Å²	124.8	78%	0.776	68%	0.679	S	S	*	*			trans	-72.1	104	167.6	59.2	0	0	0	0	107.4	G5 T9	G5-S7 VanDerWaalsContact C-N 3.27Å; G5-S7 PolarHBondContact O-N 3.03Å; S7-T9 PolarHBondContact O-N 2.97Å
8	K	64.4	Low	69.8	Low	120 Å²	120	121 Å²	121	52%	0.522	67%	0.667	S	S	.	*			trans	-57	136.6	177.1	-65.2	-176.4	-175.6	178.1	0	110.1	N6 Q12 E16	N6-K8 PolarHBondContact O-N 3.1Å; N6-K8 VanDerWaalsContact O-N 3.14Å; K8-Q12 HydrophobicContact CB-CB 4.01Å; K8-E16 WeakPolarHBondContact CD-OE1 3.47Å; K8-E16 WeakPolarHBondContact CE-OE1 3.24Å; K8-E16 IonicContact NZ-OE1 2.56Å; K8-E16 PolarHBondContact NZ-OE1 2.92Å; K8-E16 IonicContact NZ-OE2 3.59Å
9	T	79.4	Confident	71	Confident	78 Å²	78	120.6 Å²	120.6	48%	0.479	66%	0.66	S	S	.	*			trans	-63.6	156.7	176	53.7	0	0	0	0	110.5	S7 D11 Q12 R13	S7-T9 PolarHBondContact O-N 2.97Å; T9-D11 PolarHBondContact O-N 3.31Å; T9-Q12 VanDerWaalsContact N-OE1 3.17Å; T9-Q12 WeakPolarHBondContact O-CB 3.48Å; T9-Q12 PolarHBondContact O-N 3.41Å; T9-Q12 VanDerWaalsContact OG1-CG 3.29Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.34Å; T9-Q12 PolarHBondContact OG1-N 3.09Å; T9-R13 PolarHBondContact O-N 3.22Å
10	E	77.4	Confident	72.1	Confident	158 Å²	158	123.6 Å²	123.6	74%	0.738	66%	0.661	S	S	*	*	H	α-helix	trans	-56.9	-35.1	177.2	-75.9	-167.4	148.5	0	0	112.2	R13 N14	E10-R13 PolarHBondContact O-N 2.87Å; E10-N14 WeakPolarHBondContact O-CB 3.35Å; E10-N14 VanDerWaalsContact O-CG 3.26Å; E10-N14 PolarHBondContact O-N 2.93Å; E10-N14 PolarHBondContact O-ND2 2.66Å
11	D	78.4	Confident	73.1	Confident	126 Å²	126	122.4 Å²	122.4	67%	0.674	65%	0.651	S	S	*	*	H	α-helix	trans	-61.6	-43.9	173.3	-69	-27.7	0	0	0	112.2	T9 R13 N14 E15	T9-D11 PolarHBondContact O-N 3.31Å; D11-R13 VanDerWaalsContact C-N 3.29Å; D11-R13 PolarHBondContact O-N 3.18Å; D11-N14 PolarHBondContact O-N 3.25Å; D11-E15 WeakPolarHBondContact O-CB 3.39Å; D11-E15 PolarHBondContact O-N 3.39Å
12	Q	80.3	Confident	75.6	Confident	91 Å²	91	112.9 Å²	112.9	43%	0.425	61%	0.612	S	S	.	*	H	α-helix	trans	-62.9	-36.2	174.4	-75.1	171.8	-6.7	0	0	111.8	K8 T9 E16	K8-Q12 HydrophobicContact CB-CB 4.01Å; T9-Q12 VanDerWaalsContact N-OE1 3.17Å; T9-Q12 WeakPolarHBondContact O-CB 3.48Å; T9-Q12 PolarHBondContact O-N 3.41Å; T9-Q12 VanDerWaalsContact OG1-CG 3.29Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.34Å; T9-Q12 PolarHBondContact OG1-N 3.09Å; Q12-E16 WeakPolarHBondContact O-CB 3.33Å; Q12-E16 WeakPolarHBondContact O-CG 3.27Å; Q12-E16 PolarHBondContact O-N 2.86Å
13	R	83	Confident	78.1	Confident	186 Å²	186	113.4 Å²	113.4	70%	0.702	60%	0.597	S	S	*	*	H	α-helix	trans	-70.8	-38	176.6	-169.9	-179.8	-178.9	-173.9	0.6	112.2	T9 E10 D11 K17	T9-R13 PolarHBondContact O-N 3.22Å; E10-R13 PolarHBondContact O-N 2.87Å; D11-R13 VanDerWaalsContact C-N 3.29Å; D11-R13 PolarHBondContact O-N 3.18Å; R13-K17 WeakPolarHBondContact O-CB 3.13Å; R13-K17 PolarHBondContact O-N 3.02Å
14	N	86.5	Confident	80.4	Confident	99 Å²	99	113 Å²	113	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-68.6	-40.6	176	-73.1	-24.1	0	0	0	111.2	E10 D11 K17 A18	E10-N14 WeakPolarHBondContact O-CB 3.35Å; E10-N14 VanDerWaalsContact O-CG 3.26Å; E10-N14 PolarHBondContact O-N 2.93Å; E10-N14 PolarHBondContact O-ND2 2.66Å; D11-N14 PolarHBondContact O-N 3.25Å; N14-K17 PolarHBondContact O-N 3.17Å; N14-A18 WeakPolarHBondContact O-CB 2.97Å; N14-A18 PolarHBondContact O-N 3.3Å
15	E	89.3	Confident	82.7	Confident	115 Å²	115	112.3 Å²	112.3	54%	0.537	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-44.9	174.3	-168.5	179.1	-179.2	0	0	111.4	D11 K17 A18 Q19	D11-E15 WeakPolarHBondContact O-CB 3.39Å; D11-E15 PolarHBondContact O-N 3.39Å; E15-K17 VanDerWaalsContact C-N 3.31Å; E15-K17 PolarHBondContact O-N 3.01Å; E15-A18 PolarHBondContact O-N 3.06Å; E15-Q19 WeakPolarHBondContact O-CB 3.47Å; E15-Q19 WeakPolarHBondContact O-CG 3.45Å; E15-Q19 PolarHBondContact O-N 3.3Å
16	E	89.2	Confident	84.7	Confident	59 Å²	59	113.8 Å²	113.8	28%	0.276	56%	0.56	S	S	.	*	H	α-helix	trans	-61.4	-38.2	174.5	-79.4	-178.6	-174.3	0	0	112.9	K8 Q12 R20	K8-E16 WeakPolarHBondContact CD-OE1 3.47Å; K8-E16 WeakPolarHBondContact CE-OE1 3.24Å; K8-E16 IonicContact NZ-OE1 2.56Å; K8-E16 PolarHBondContact NZ-OE1 2.92Å; K8-E16 IonicContact NZ-OE2 3.59Å; Q12-E16 WeakPolarHBondContact O-CB 3.33Å; Q12-E16 WeakPolarHBondContact O-CG 3.27Å; Q12-E16 PolarHBondContact O-N 2.86Å; E16-R20 WeakPolarHBondContact O-CB 3.29Å; E16-R20 VanDerWaalsContact O-CG 3.25Å; E16-R20 WeakPolarHBondContact O-CG 3.46Å; E16-R20 PolarHBondContact O-N 3.2Å
17	K	90.3	Very high	86.7	Confident	126 Å²	126	111.7 Å²	111.7	55%	0.548	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-44.9	175.2	-172.5	-175.9	174	-168.9	0	110.9	R13 N14 E15 Q19 R20 E21	R13-K17 WeakPolarHBondContact O-CB 3.13Å; R13-K17 PolarHBondContact O-N 3.02Å; N14-K17 PolarHBondContact O-N 3.17Å; E15-K17 VanDerWaalsContact C-N 3.31Å; E15-K17 PolarHBondContact O-N 3.01Å; K17-Q19 PolarHBondContact O-N 3.48Å; K17-R20 PolarHBondContact O-N 3.02Å; K17-E21 VanDerWaalsContact CE-OE1 3.24Å; K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 WeakPolarHBondContact O-CG 3.47Å; K17-E21 PolarHBondContact O-N 3.44Å
18	A	91.4	Very high	88.2	Confident	56 Å²	56	112.8 Å²	112.8	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-42.5	176.8	0	0	0	0	0	111.8	N14 E15 E21 A22	N14-A18 WeakPolarHBondContact O-CB 2.97Å; N14-A18 PolarHBondContact O-N 3.3Å; E15-A18 PolarHBondContact O-N 3.06Å; A18-E21 PolarHBondContact O-N 3.22Å; A18-A22 WeakPolarHBondContact O-CB 3.33Å; A18-A22 PolarHBondContact O-N 2.98Å
19	Q	91.8	Very high	89.6	Confident	113 Å²	113	111.8 Å²	111.8	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-61.6	-43.7	174.3	-74.8	179	5.4	0	0	111.9	E15 K17 A22 N23	E15-Q19 WeakPolarHBondContact O-CB 3.47Å; E15-Q19 WeakPolarHBondContact O-CG 3.45Å; E15-Q19 PolarHBondContact O-N 3.3Å; K17-Q19 PolarHBondContact O-N 3.48Å; Q19-A22 PolarHBondContact O-N 3.31Å; Q19-N23 VanDerWaalsContact O-CB 3.31Å; Q19-N23 WeakPolarHBondContact O-CB 3.36Å; Q19-N23 PolarHBondContact O-N 3.47Å
20	R	92.8	Very high	90.3	Very high	181 Å²	181	113 Å²	113	68%	0.683	54%	0.537	S	S	*	.	H	α-helix	trans	-63.7	-40.7	175.9	-74.4	173.5	-171.6	-170.8	5.2	112.3	E16 K17 K24	E16-R20 WeakPolarHBondContact O-CB 3.29Å; E16-R20 VanDerWaalsContact O-CG 3.25Å; E16-R20 WeakPolarHBondContact O-CG 3.46Å; E16-R20 PolarHBondContact O-N 3.2Å; K17-R20 PolarHBondContact O-N 3.02Å; R20-K24 VanDerWaalsContact O-CB 3.32Å; R20-K24 WeakPolarHBondContact O-CB 3.26Å; R20-K24 PolarHBondContact O-N 3Å
21	E	94.3	Very high	91	Very high	99 Å²	99	110.7 Å²	110.7	46%	0.463	53%	0.526	S	S	.	.	H	α-helix	trans	-68.4	-41.3	177.4	-74.2	-177.9	-169.5	0	0	112.2	K17 A18 K24 K25	K17-E21 VanDerWaalsContact CE-OE1 3.24Å; K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 WeakPolarHBondContact O-CG 3.47Å; K17-E21 PolarHBondContact O-N 3.44Å; A18-E21 PolarHBondContact O-N 3.22Å; E21-K24 PolarHBondContact O-N 3.14Å; E21-K25 WeakPolarHBondContact O-CG 3.26Å; E21-K25 PolarHBondContact O-N 3.43Å
22	A	94.3	Very high	91.6	Very high	49 Å²	49	110.9 Å²	110.9	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-61	-47.5	173.2	0	0	0	0	0	111	A18 Q19 K24 K25 I26	A18-A22 WeakPolarHBondContact O-CB 3.33Å; A18-A22 PolarHBondContact O-N 2.98Å; Q19-A22 PolarHBondContact O-N 3.31Å; A22-K24 PolarHBondContact O-N 2.83Å; A22-K25 WeakPolarHBondContact O-CB 3.19Å; A22-K25 PolarHBondContact O-N 2.89Å; A22-K25 VanDerWaalsContact O-N 3.16Å; A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 3.05Å
23	N	95	Very high	92.1	Very high	86 Å²	86	110.2 Å²	110.2	46%	0.46	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-46	176.6	-168.4	4.7	0	0	0	111.5	Q19 K25 I26 E27	Q19-N23 VanDerWaalsContact O-CB 3.31Å; Q19-N23 WeakPolarHBondContact O-CB 3.36Å; Q19-N23 PolarHBondContact O-N 3.47Å; N23-K25 VanDerWaalsContact C-N 3.28Å; N23-K25 PolarHBondContact O-N 2.89Å; N23-I26 CarbonylContact O-C 3.59Å; N23-I26 WeakPolarHBondContact O-CB 3.35Å; N23-I26 PolarHBondContact O-N 2.94Å; N23-E27 PolarHBondContact O-N 3.16Å
24	K	95.1	Very high	92.4	Very high	128 Å²	128	106.4 Å²	106.4	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-60.5	-34.5	176.4	-170.4	178.6	-174.7	176.4	0	113.1	R20 E21 A22 K28	R20-K24 VanDerWaalsContact O-CB 3.32Å; R20-K24 WeakPolarHBondContact O-CB 3.26Å; R20-K24 PolarHBondContact O-N 3Å; E21-K24 PolarHBondContact O-N 3.14Å; A22-K24 PolarHBondContact O-N 2.83Å; K24-K28 WeakPolarHBondContact O-CG 3.39Å; K24-K28 PolarHBondContact O-N 3.37Å
25	K	95.2	Very high	92.4	Very high	155 Å²	155	107.6 Å²	107.6	67%	0.674	51%	0.511	S	S	*	.	H	α-helix	trans	-67.7	-43.3	173.7	-74.2	177.3	-175.6	177.5	0	111	E21 A22 N23 K28 Q29	E21-K25 WeakPolarHBondContact O-CG 3.26Å; E21-K25 PolarHBondContact O-N 3.43Å; A22-K25 WeakPolarHBondContact O-CB 3.19Å; A22-K25 PolarHBondContact O-N 2.89Å; A22-K25 VanDerWaalsContact O-N 3.16Å; N23-K25 VanDerWaalsContact C-N 3.28Å; N23-K25 PolarHBondContact O-N 2.89Å; K25-K28 PolarHBondContact O-N 3.03Å; K25-Q29 PolarHBondContact O-N 3.33Å
26	I	94.8	Very high	92.4	Very high	97 Å²	97	106.1 Å²	106.1	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-48.6	176.7	-66.2	166.3	0	0	0	110.6	A22 N23 K28 Q29 L30	A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 3.05Å; N23-I26 CarbonylContact O-C 3.59Å; N23-I26 WeakPolarHBondContact O-CB 3.35Å; N23-I26 PolarHBondContact O-N 2.94Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 2.89Å; I26-Q29 WeakPolarHBondContact O-CB 3.12Å; I26-Q29 PolarHBondContact O-N 2.95Å; I26-L30 HydrophobicContact CG2-CD1 3.83Å; I26-L30 HydrophobicContact CG2-CG 4.12Å; I26-L30 WeakPolarHBondContact O-CG 3.43Å; I26-L30 PolarHBondContact O-N 2.77Å
27	E	94.6	Very high	92.3	Very high	112 Å²	112	108.8 Å²	108.8	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-57.6	-42	177.8	-74.6	178.9	176.1	0	0	112.3	N23 Q29 L30 Q31	N23-E27 PolarHBondContact O-N 3.16Å; E27-Q29 VanDerWaalsContact C-N 3.34Å; E27-Q29 PolarHBondContact O-N 2.78Å; E27-L30 PolarHBondContact O-N 2.97Å; E27-Q31 WeakPolarHBondContact O-CB 3.42Å; E27-Q31 PolarHBondContact O-N 2.64Å
28	K	94.4	Very high	92.1	Very high	135 Å²	135	109.2 Å²	109.2	59%	0.587	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-39.1	174.8	-79	-177.6	176.8	-172	0	112.4	K24 K25 I26 K32	K24-K28 WeakPolarHBondContact O-CG 3.39Å; K24-K28 PolarHBondContact O-N 3.37Å; K25-K28 PolarHBondContact O-N 3.03Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 2.89Å; K28-K32 PolarHBondContact O-N 3.17Å
29	Q	94.1	Very high	91.8	Very high	98 Å²	98	109 Å²	109	46%	0.458	51%	0.514	S	S	.	.	H	α-helix	trans	-67.7	-47.5	176.8	-173.5	58.3	42.3	0	0	110.7	K25 I26 E27 Q31 K32 D33	K25-Q29 PolarHBondContact O-N 3.33Å; I26-Q29 WeakPolarHBondContact O-CB 3.12Å; I26-Q29 PolarHBondContact O-N 2.95Å; E27-Q29 VanDerWaalsContact C-N 3.34Å; E27-Q29 PolarHBondContact O-N 2.78Å; Q29-Q31 VanDerWaalsContact C-N 3.26Å; Q29-Q31 PolarHBondContact O-N 3.05Å; Q29-K32 WeakPolarHBondContact O-CB 3.47Å; Q29-K32 PolarHBondContact O-N 3.41Å; Q29-D33 PolarHBondContact NE2-OD1 3.42Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 2.89Å
30	L	94	Very high	91.8	Very high	105 Å²	105	104.5 Å²	104.5	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-57.7	-38.6	176.5	-71	174.9	0	0	0	112.2	I26 E27 D33 K34	I26-L30 HydrophobicContact CG2-CD1 3.83Å; I26-L30 HydrophobicContact CG2-CG 4.12Å; I26-L30 WeakPolarHBondContact O-CG 3.43Å; I26-L30 PolarHBondContact O-N 2.77Å; E27-L30 PolarHBondContact O-N 2.97Å; L30-D33 PolarHBondContact O-N 2.97Å; L30-K34 VanDerWaalsContact O-CB 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.4Å; L30-K34 PolarHBondContact O-N 3.35Å
31	Q	92.6	Very high	91.8	Very high	108 Å²	108	96.1 Å²	96.1	51%	0.505	46%	0.463	S	S	.	.	H	α-helix	trans	-66.7	-38.4	176.8	-173	65	5.3	0	0	112.1	E27 Q29 Q35	E27-Q31 WeakPolarHBondContact O-CB 3.42Å; E27-Q31 PolarHBondContact O-N 2.64Å; Q29-Q31 VanDerWaalsContact C-N 3.26Å; Q29-Q31 PolarHBondContact O-N 3.05Å; Q31-Q35 WeakPolarHBondContact O-CG 3.45Å; Q31-Q35 PolarHBondContact O-N 2.96Å
32	K	91.6	Very high	91.8	Very high	130 Å²	130	92 Å²	92	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-66.1	-46.9	173	-73.9	-179.4	175.5	-175.3	0	111.2	K28 Q29 K34 Q35 V36	K28-K32 PolarHBondContact O-N 3.17Å; Q29-K32 WeakPolarHBondContact O-CB 3.47Å; Q29-K32 PolarHBondContact O-N 3.41Å; K32-K34 VanDerWaalsContact C-N 3.26Å; K32-K34 PolarHBondContact O-N 3.27Å; K32-Q35 WeakPolarHBondContact O-CB 3.37Å; K32-Q35 PolarHBondContact O-N 3.24Å; K32-V36 PolarHBondContact O-N 3.14Å
33	D	90.3	Very high	91.8	Very high	77 Å²	77	89.6 Å²	89.6	41%	0.412	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-38	-180	-63.7	-17.1	0	0	0	111.1	Q29 L30 Q35 V36 Y37	Q29-D33 PolarHBondContact NE2-OD1 3.42Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 2.89Å; L30-D33 PolarHBondContact O-N 2.97Å; D33-Q35 VanDerWaalsContact C-N 3.35Å; D33-Q35 PolarHBondContact O-N 2.91Å; D33-V36 PolarHBondContact O-N 3.23Å; D33-Y37 VanDerWaalsContact O-CB 3.24Å; D33-Y37 WeakPolarHBondContact O-CB 3.39Å; D33-Y37 PolarHBondContact O-N 3.02Å
34	K	89.1	Confident	91.8	Very high	106 Å²	106	85.5 Å²	85.5	46%	0.461	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-37.9	174.4	-171.6	176.4	-174.7	175.6	0	112.6	L30 K32 R38	L30-K34 VanDerWaalsContact O-CB 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.4Å; L30-K34 PolarHBondContact O-N 3.35Å; K32-K34 VanDerWaalsContact C-N 3.26Å; K32-K34 PolarHBondContact O-N 3.27Å; K34-R38 WeakPolarHBondContact O-CB 3.38Å; K34-R38 WeakPolarHBondContact O-CG 3.28Å; K34-R38 PolarHBondContact O-N 3.04Å
35	Q	87.4	Confident	91.9	Very high	125 Å²	125	79.4 Å²	79.4	58%	0.584	38%	0.376	S	S	*	.	H	α-helix	trans	-67.3	-45.5	175.4	-73	177.9	-8	0	0	111.3	Q31 K32 D33 Y37 R38 A39	Q31-Q35 WeakPolarHBondContact O-CG 3.45Å; Q31-Q35 PolarHBondContact O-N 2.96Å; K32-Q35 WeakPolarHBondContact O-CB 3.37Å; K32-Q35 PolarHBondContact O-N 3.24Å; D33-Q35 VanDerWaalsContact C-N 3.35Å; D33-Q35 PolarHBondContact O-N 2.91Å; Q35-Y37 VanDerWaalsContact C-N 3.34Å; Q35-Y37 PolarHBondContact O-N 2.88Å; Q35-R38 PolarHBondContact O-N 3.47Å; Q35-A39 WeakPolarHBondContact O-CB 3.39Å; Q35-A39 PolarHBondContact O-N 3.45Å
36	V	88.2	Confident	91.9	Very high	84 Å²	84	72 Å²	72	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-45	176.8	176	0	0	0	0	110.6	K32 D33 A39 T40	K32-V36 PolarHBondContact O-N 3.14Å; D33-V36 PolarHBondContact O-N 3.23Å; V36-A39 CarbonylContact O-C 3.59Å; V36-A39 PolarHBondContact O-N 2.78Å; V36-T40 PolarHBondContact O-N 3.12Å; V36-T40 PolarHBondContact O-OG1 2.76Å
37	Y	87	Confident	92	Very high	115 Å²	115	67.4 Å²	67.4	45%	0.451	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-47.2	178.5	-173.4	-95.9	0	0	0	112.4	D33 Q35 A39 T40 R42 D225	D33-Y37 VanDerWaalsContact O-CB 3.24Å; D33-Y37 WeakPolarHBondContact O-CB 3.39Å; D33-Y37 PolarHBondContact O-N 3.02Å; Q35-Y37 VanDerWaalsContact C-N 3.34Å; Q35-Y37 PolarHBondContact O-N 2.88Å; Y37-A39 PolarHBondContact O-N 3.29Å; Y37-T40 PolarHBondContact O-N 2.75Å; Y37-T40 VanDerWaalsContact O-N 3.16Å; Y37-R42 PolarHBondContact OH-NH1 2.96Å; Y37-D225 WeakPolarHBondContact CE1-OD2 3.48Å; Y37-D225 PolarHBondContact OH-OD2 3.23Å
38	R	85.3	Confident	92	Very high	134 Å²	134	62.7 Å²	62.7	51%	0.506	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-25	176.8	-76.8	-179.6	168.1	-168.8	-7.6	113.6	K34 Q35 T40 H372 Y376	K34-R38 WeakPolarHBondContact O-CB 3.38Å; K34-R38 WeakPolarHBondContact O-CG 3.28Å; K34-R38 PolarHBondContact O-N 3.04Å; Q35-R38 PolarHBondContact O-N 3.47Å; R38-T40 VanDerWaalsContact C-N 3.33Å; R38-H372 PolarHBondContact O-CE1 3.18Å; R38-H372 PolarHBondContact O-NE2 3.18Å; R38-Y376 HydrophobicContact CG-CE1 4.1Å
39	A	86.9	Confident	91.9	Very high	51 Å²	51	57.4 Å²	57.4	42%	0.421	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.5	177.2	0	0	0	0	0	113.4	Q35 V36 Y37	Q35-A39 WeakPolarHBondContact O-CB 3.39Å; Q35-A39 PolarHBondContact O-N 3.45Å; V36-A39 CarbonylContact O-C 3.59Å; V36-A39 PolarHBondContact O-N 2.78Å; Y37-A39 PolarHBondContact O-N 3.29Å
40	T	91.6	Very high	91.8	Very high	20 Å²	20	54.6 Å²	54.6	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.5	-176.9	-57.8	0	0	0	0	111.1	V36 Y37 R38 N203 H205	V36-T40 PolarHBondContact O-N 3.12Å; V36-T40 PolarHBondContact O-OG1 2.76Å; Y37-T40 PolarHBondContact O-N 2.75Å; Y37-T40 VanDerWaalsContact O-N 3.16Å; R38-T40 VanDerWaalsContact C-N 3.33Å; T40-N203 WeakPolarHBondContact CA-O 3.4Å; T40-N203 HydrophobicContact CG2-CB 4.2Å; T40-H205 HydrophobicContact CG2-CB 3.65Å
41	H	92.6	Very high	91.9	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.019	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121	174.8	-62.4	-13.9	0	0	0	109.6	V202 N203 F204 H205 I368 Q369 H372	H41-V202 VanDerWaalsContact CD2-CG1 3.42Å; H41-V202 WeakPolarHBondContact CD2-CG1 3.41Å; H41-V202 WeakPolarHBondContact NE2-CG1 3.42Å; H41-N203 PolarHBondContact N-O 3.44Å; H41-F204 HydrophobicContact CB-CD1 3.82Å; H41-F204 HydrophobicContact CB-CE1 4Å; H41-F204 AromaticContact CD2-CE1 3.73Å; H41-F204 AromaticContact CD2-CZ 3.92Å; H41-F204 CarbonylContact O-C 3.59Å; H41-F204 WeakPolarHBondContact O-CA 3.43Å; H41-H205 PolarHBondContact O-N 3.46Å; H41-I368 HydrophobicContact CB-CG2 3.98Å; H41-Q369 PolarHBondContact NE2-OE1 3.22Å; H41-H372 AromaticContact CE1-CD2 3.39Å; H41-H372 PolarHBondContact CE1-CD2 3.33Å; H41-H372 AromaticContact CE1-CE1 3.99Å; H41-H372 AromaticContact CE1-CG 3.29Å; H41-H372 AromaticContact CE1-ND1 3.75Å; H41-H372 AromaticContact CE1-NE2 3.83Å; H41-H372 AromaticContact ND1-CD2 3.65Å; H41-H372 AromaticContact ND1-CE1 3.46Å; H41-H372 PolarHBondContact ND1-CE1 3.36Å; H41-H372 AromaticContact ND1-CG 3.28Å; H41-H372 VanDerWaalsContact ND1-CG 3.28Å; H41-H372 AromaticContact ND1-ND1 3.22Å; H41-H372 PolarHBondContact ND1-ND1 3.39Å; H41-H372 AromaticContact ND1-NE2 3.74Å
42	R	93.2	Very high	92	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.045	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.1	-176.9	-73.1	167.3	-70.4	177.2	-5.7	109.5	Y37 H205 F207 D225 V226 T227 A228	Y37-R42 PolarHBondContact OH-NH1 2.96Å; R42-H205 CarbonylContact C-O 3.58Å; R42-H205 WeakPolarHBondContact CA-O 3.35Å; R42-H205 HydrophobicContact CG-CB 4.23Å; R42-F207 HydrophobicContact CB-CE2 4.12Å; R42-F207 HydrophobicContact CG-CE2 4.19Å; R42-D225 IonicContact CZ-OD2 3.51Å; R42-D225 VanDerWaalsContact CZ-OD2 3.25Å; R42-D225 PolarHBondContact NE-O 2.96Å; R42-D225 VanDerWaalsContact NH1-CG 3.34Å; R42-D225 PolarHBondContact NH1-O 3.36Å; R42-D225 IonicContact NH1-OD2 3.5Å; R42-D225 PolarHBondContact NH1-OD2 3.4Å; R42-D225 PolarHBondContact NH2-O 3.21Å; R42-D225 IonicContact NH2-OD1 3.93Å; R42-D225 IonicContact NH2-OD2 2.78Å; R42-D225 PolarHBondContact NH2-OD2 2.93Å; R42-V226 WeakPolarHBondContact O-CG1 3.31Å; R42-T227 PolarHBondContact N-OG1 2.77Å; R42-T227 WeakPolarHBondContact O-CB 3.42Å; R42-T227 PolarHBondContact O-N 3.41Å; R42-A228 PolarHBondContact O-N 3.08Å
43	L	94.9	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122	-173.9	-60	179.7	0	0	0	109.5	F204 H205 M206 F207 A228 I230 F361 I368	L43-F204 HydrophobicContact CD1-CD1 3.79Å; L43-F204 HydrophobicContact CD1-CE1 4.36Å; L43-F204 HydrophobicContact CG-CD1 4.45Å; L43-H205 PolarHBondContact N-O 3.02Å; L43-M206 HydrophobicContact CB-CG 3.69Å; L43-M206 HydrophobicContact CD1-CG 4.01Å; L43-M206 HydrophobicContact CD1-SD 4.22Å; L43-M206 HydrophobicContact CG-CG 4.37Å; L43-M206 WeakPolarHBondContact O-CA 3.46Å; L43-F207 PolarHBondContact O-N 3.11Å; L43-A228 WeakPolarHBondContact CA-O 3.4Å; L43-A228 HydrophobicContact CD2-CB 3.96Å; L43-I230 HydrophobicContact CB-CD1 4.48Å; L43-I230 HydrophobicContact CD1-CD1 4.17Å; L43-F361 HydrophobicContact CD1-CE2 4.14Å; L43-I368 HydrophobicContact CD1-CD1 4.09Å; L43-I368 HydrophobicContact CD2-CD1 3.91Å; L43-I368 HydrophobicContact CD2-CG1 4.18Å; L43-I368 HydrophobicContact CD2-CG2 4.23Å
44	L	95.6	Very high	92.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.7	179.5	-179.7	59.8	0	0	0	110.2	L46 F207 V209 C222 F223 V226 A228 I229 I230	L44-L46 HydrophobicContact CD1-CD2 4.2Å; L44-L46 HydrophobicContact CD2-CD1 4.14Å; L44-L46 HydrophobicContact CD2-CD2 3.95Å; L44-L46 HydrophobicContact CD2-CG 4.11Å; L44-L46 HydrophobicContact CG-CD1 4.46Å; L44-L46 HydrophobicContact CG-CD2 3.82Å; L44-L46 HydrophobicContact CG-CG 3.92Å; L44-F207 HydrophobicContact CD1-CB 3.81Å; L44-V209 HydrophobicContact CD1-CG2 3.72Å; L44-C222 HydrophobicContact CD1-CB 3.57Å; L44-C222 HydrophobicContact CD2-CB 4.2Å; L44-F223 HydrophobicContact CD2-CD1 3.48Å; L44-F223 VanDerWaalsContact CD2-CD1 3.48Å; L44-F223 HydrophobicContact CD2-CE1 3.63Å; L44-V226 HydrophobicContact CB-CG1 3.86Å; L44-V226 HydrophobicContact CB-CG2 4.12Å; L44-V226 HydrophobicContact CD2-CG2 4.42Å; L44-A228 PolarHBondContact N-O 2.85Å; L44-I229 HydrophobicContact CB-CG1 4.41Å; L44-I229 WeakPolarHBondContact O-CA 3.11Å; L44-I230 PolarHBondContact O-N 2.91Å
45	L	96.1	Very high	92.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.1	176.5	-72.4	82	0	0	0	109.6	K53 I56 V57 M206 F207 I230	L45-K53 HydrophobicContact CB-CB 4.24Å; L45-K53 HydrophobicContact CB-CD 4.31Å; L45-K53 HydrophobicContact CB-CG 4.27Å; L45-K53 HydrophobicContact CD2-CB 4.24Å; L45-K53 WeakPolarHBondContact CD2-O 3.43Å; L45-I56 HydrophobicContact CD2-CB 3.91Å; L45-I56 HydrophobicContact CD2-CG2 3.94Å; L45-V57 HydrophobicContact CD1-CG2 4.39Å; L45-V57 HydrophobicContact CD2-CG2 3.93Å; L45-M206 HydrophobicContact CD1-CB 3.98Å; L45-M206 HydrophobicContact CD1-CE 3.38Å; L45-M206 HydrophobicContact CD1-CG 4.01Å; L45-M206 HydrophobicContact CD2-CE 3.92Å; L45-M206 HydrophobicContact CG-CE 4.13Å; L45-F207 PolarHBondContact N-O 3Å; L45-I230 WeakPolarHBondContact CA-O 3.45Å; L45-I230 HydrophobicContact CG-CB 4.4Å
46	L	96.5	Very high	93.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.7	177.1	-60.5	-176	0	0	0	110.6	L44 W219 F223 I229 I230 F231 V232 I261	L44-L46 HydrophobicContact CD1-CD2 4.2Å; L44-L46 HydrophobicContact CD2-CD1 4.14Å; L44-L46 HydrophobicContact CD2-CD2 3.95Å; L44-L46 HydrophobicContact CD2-CG 4.11Å; L44-L46 HydrophobicContact CG-CD1 4.46Å; L44-L46 HydrophobicContact CG-CD2 3.82Å; L44-L46 HydrophobicContact CG-CG 3.92Å; L46-W219 HydrophobicContact CB-CH2 4.27Å; L46-W219 HydrophobicContact CB-CZ3 4.23Å; L46-W219 HydrophobicContact CD1-CE3 4.22Å; L46-W219 HydrophobicContact CD1-CZ3 4.27Å; L46-W219 HydrophobicContact CD2-CD2 3.64Å; L46-W219 HydrophobicContact CD2-CE3 3.66Å; L46-W219 HydrophobicContact CD2-CG 4.1Å; L46-W219 HydrophobicContact CD2-CH2 4.25Å; L46-W219 HydrophobicContact CD2-CZ2 4.26Å; L46-W219 HydrophobicContact CD2-CZ3 3.97Å; L46-W219 HydrophobicContact CG-CE3 4.43Å; L46-W219 HydrophobicContact CG-CZ3 4.39Å; L46-F223 HydrophobicContact CD1-CE1 4.25Å; L46-I229 HydrophobicContact CB-CG2 4.27Å; L46-I229 HydrophobicContact CD1-CD1 4.25Å; L46-I229 HydrophobicContact CD1-CG2 3.91Å; L46-I229 HydrophobicContact CG-CG2 4.1Å; L46-I230 PolarHBondContact N-O 2.83Å; L46-F231 HydrophobicContact CB-CD2 3.93Å; L46-F231 HydrophobicContact CB-CE2 4.4Å; L46-F231 CarbonylContact O-C 3.52Å; L46-F231 WeakPolarHBondContact O-CA 3.4Å; L46-V232 PolarHBondContact O-N 3.34Å; L46-I261 HydrophobicContact CD1-CD1 3.7Å; L46-I261 HydrophobicContact CD1-CG1 4.02Å; L46-I261 HydrophobicContact CD1-CG2 4.13Å
47	G	96.6	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.			trans	143.9	159.5	-178.1	0	0	0	0	0	111.6	K53 G211 V232	G47-K53 PolarHBondContact O-NZ 3.34Å; G47-G211 WeakPolarHBondContact O-CA 3.29Å; G47-V232 WeakPolarHBondContact CA-O 3.01Å
48	A	95	Very high	93.7	Very high	12 Å²	12	20 Å²	20	10%	0.099	12%	0.115	C	C	.	.	S	Bend	trans	-58.9	167.3	179.8	0	0	0	0	0	112.4	S51 K53 L257	A48-S51 WeakPolarHBondContact O-CB 3.35Å; A48-S51 PolarHBondContact O-N 3.18Å; A48-S51 PolarHBondContact O-OG 3.41Å; A48-K53 PolarHBondContact O-NZ 3.18Å; A48-L257 HydrophobicContact CB-CD2 4.48Å
49	G	91.1	Very high	94.2	Very high	25 Å²	25	13.7 Å²	13.7	26%	0.258	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	144.9	169.9	0	0	0	0	0	111.3	S51 G211	G49-S51 PolarHBondContact O-N 3.08Å; G49-G211 PolarHBondContact N-O 2.97Å
50	E	91.6	Very high	94.5	Very high	39 Å²	39	11.3 Å²	11.3	18%	0.182	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	15.7	176.6	-55.4	176.1	167.1	0	0	115.6	G52 R186 R243 R250 K278	E50-G52 VanDerWaalsContact C-N 3.32Å; E50-G52 PolarHBondContact O-N 2.91Å; E50-R186 IonicContact OE1-CZ 3.75Å; E50-R186 IonicContact OE1-NE 2.61Å; E50-R186 PolarHBondContact OE1-NE 3.17Å; E50-R186 IonicContact OE1-NH2 3.2Å; E50-R186 PolarHBondContact OE1-NH2 2.97Å; E50-R243 IonicContact OE1-CZ 2.85Å; E50-R243 IonicContact OE1-NE 3.59Å; E50-R243 PolarHBondContact OE1-NE 3.38Å; E50-R243 IonicContact OE1-NH2 2.91Å; E50-R243 IonicContact OE2-NE 3.95Å; E50-R250 IonicContact OE2-CZ 2.69Å; E50-R250 VanDerWaalsContact OE2-CZ 3.26Å; E50-R250 IonicContact OE2-NH1 3.72Å; E50-R250 PolarHBondContact OE2-NH1 2.89Å; E50-R250 IonicContact OE2-NH2 3.33Å; E50-R250 PolarHBondContact OE2-NH2 3.45Å; E50-K278 WeakPolarHBondContact O-CE 3.36Å; E50-K278 PolarHBondContact O-NZ 2.85Å
51	S	96.1	Very high	94.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.014	8%	0.076	C	C	.	.	S	Bend	trans	-70.1	-24.6	175.9	45.9	0	0	0	0	114.3	A48 G49 K53 V232 N277	A48-S51 WeakPolarHBondContact O-CB 3.35Å; A48-S51 PolarHBondContact O-N 3.18Å; A48-S51 PolarHBondContact O-OG 3.41Å; G49-S51 PolarHBondContact O-N 3.08Å; S51-K53 PolarHBondContact OG-NZ 3.34Å; S51-V232 VanDerWaalsContact CB-O 3.26Å; S51-V232 WeakPolarHBondContact CB-O 3.44Å; S51-V232 VanDerWaalsContact O-CG1 3.28Å; S51-V232 WeakPolarHBondContact O-CG1 3.18Å; S51-N277 PolarHBondContact O-ND2 3.05Å
52	G	96.1	Very high	94.4	Very high	11 Å²	11	14.7 Å²	14.7	11%	0.113	8%	0.083	C	C	.	.	S	Bend	trans	112.7	9.3	-178.6	0	0	0	0	0	115.5	E50 S54 T55 I56	E50-G52 VanDerWaalsContact C-N 3.32Å; E50-G52 PolarHBondContact O-N 2.91Å; G52-S54 PolarHBondContact O-N 3.32Å; G52-T55 WeakPolarHBondContact O-CB 3.4Å; G52-T55 PolarHBondContact O-N 2.7Å; G52-T55 VanDerWaalsContact O-N 3.11Å; G52-I56 WeakPolarHBondContact O-CG1 3.42Å; G52-I56 PolarHBondContact O-N 3.18Å
53	K	95.7	Very high	94.2	Very high	11 Å²	11	15.5 Å²	15.5	5%	0.048	9%	0.089	C	C	.	.	H	α-helix	trans	-51.3	-55.4	178.5	-62.4	-177.4	-62.5	-64.6	0	113.3	L45 G47 A48 S51 T55 I56 V57 D208 V209 V232	L45-K53 HydrophobicContact CB-CB 4.24Å; L45-K53 HydrophobicContact CB-CD 4.31Å; L45-K53 HydrophobicContact CB-CG 4.27Å; L45-K53 HydrophobicContact CD2-CB 4.24Å; L45-K53 WeakPolarHBondContact CD2-O 3.43Å; G47-K53 PolarHBondContact O-NZ 3.34Å; A48-K53 PolarHBondContact O-NZ 3.18Å; S51-K53 PolarHBondContact OG-NZ 3.34Å; K53-T55 PolarHBondContact O-N 3.09Å; K53-I56 WeakPolarHBondContact O-CB 3.23Å; K53-I56 PolarHBondContact O-N 2.78Å; K53-V57 PolarHBondContact O-N 2.88Å; K53-V57 VanDerWaalsContact O-N 3.15Å; K53-D208 VanDerWaalsContact CB-OD1 3.23Å; K53-D208 WeakPolarHBondContact CB-OD1 3.22Å; K53-V209 WeakPolarHBondContact CE-O 3.34Å; K53-V232 HydrophobicContact CG-CB 4.14Å; K53-V232 HydrophobicContact CG-CG2 3.99Å
54	S	95	Very high	94	Very high	30 Å²	30	18.2 Å²	18.2	21%	0.21	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-32.7	179.4	-47.7	0	0	0	0	111.9	G52 V57 K58 T189 D208	G52-S54 PolarHBondContact O-N 3.32Å; S54-V57 PolarHBondContact O-N 3.45Å; S54-K58 VanDerWaalsContact O-CG 3.3Å; S54-K58 WeakPolarHBondContact O-CG 3.46Å; S54-K58 PolarHBondContact O-N 3.11Å; S54-T189 PolarHBondContact OG-OG1 3.32Å; S54-D208 VanDerWaalsContact CA-OD2 3.24Å; S54-D208 WeakPolarHBondContact CA-OD2 3.25Å; S54-D208 VanDerWaalsContact CB-OD2 3.22Å; S54-D208 WeakPolarHBondContact CB-OD2 3.35Å; S54-D208 PolarHBondContact OG-OD2 3.45Å
55	T	95.8	Very high	93.4	Very high	25 Å²	25	20.9 Å²	20.9	15%	0.153	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-40.9	174.1	-47.8	0	0	0	0	111.5	G52 K53 V57 K58 Q59 L183 A351 V352	G52-T55 WeakPolarHBondContact O-CB 3.4Å; G52-T55 PolarHBondContact O-N 2.7Å; G52-T55 VanDerWaalsContact O-N 3.11Å; K53-T55 PolarHBondContact O-N 3.09Å; T55-V57 VanDerWaalsContact C-N 3.32Å; T55-V57 PolarHBondContact O-N 2.92Å; T55-K58 WeakPolarHBondContact O-CB 3.49Å; T55-K58 PolarHBondContact O-N 3.22Å; T55-Q59 WeakPolarHBondContact O-CG 3.34Å; T55-Q59 PolarHBondContact O-N 3.1Å; T55-L183 HydrophobicContact CG2-CB 4.44Å; T55-L183 HydrophobicContact CG2-CD2 3.93Å; T55-A351 HydrophobicContact CG2-CB 3.78Å; T55-A351 VanDerWaalsContact CG2-O 3.3Å; T55-A351 WeakPolarHBondContact CG2-O 3.37Å; T55-V352 HydrophobicContact CG2-CG1 3.98Å
56	I	96	Very high	92.7	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-41.6	173.4	-62	-63.6	0	0	0	111.1	L45 G52 K53 Q59 M60 M206 F275 A351 I357	L45-I56 HydrophobicContact CD2-CB 3.91Å; L45-I56 HydrophobicContact CD2-CG2 3.94Å; G52-I56 WeakPolarHBondContact O-CG1 3.42Å; G52-I56 PolarHBondContact O-N 3.18Å; K53-I56 WeakPolarHBondContact O-CB 3.23Å; K53-I56 PolarHBondContact O-N 2.78Å; I56-Q59 WeakPolarHBondContact O-CB 3.13Å; I56-Q59 PolarHBondContact O-N 2.97Å; I56-M60 WeakPolarHBondContact O-CG 3.45Å; I56-M60 PolarHBondContact O-N 3.26Å; I56-M60 VanDerWaalsContact O-N 3.09Å; I56-M206 HydrophobicContact CG2-CE 3.86Å; I56-F275 HydrophobicContact CD1-CD2 4.04Å; I56-F275 HydrophobicContact CD1-CE2 4.13Å; I56-F275 HydrophobicContact CG1-CD2 4.31Å; I56-F275 HydrophobicContact CG2-CE2 4.4Å; I56-A351 HydrophobicContact CD1-CB 3.62Å; I56-A351 HydrophobicContact CG1-CB 4.21Å; I56-I357 HydrophobicContact CD1-CD1 3.44Å; I56-I357 VanDerWaalsContact CD1-CD1 3.44Å; I56-I357 HydrophobicContact CD1-CG1 4.07Å
57	V	93.7	Very high	91.9	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-42.2	175.4	176.7	0	0	0	0	112	L45 K53 S54 T55 Q59 M60 R61 T195 M206 D208	L45-V57 HydrophobicContact CD1-CG2 4.39Å; L45-V57 HydrophobicContact CD2-CG2 3.93Å; K53-V57 PolarHBondContact O-N 2.88Å; K53-V57 VanDerWaalsContact O-N 3.15Å; S54-V57 PolarHBondContact O-N 3.45Å; T55-V57 VanDerWaalsContact C-N 3.32Å; T55-V57 PolarHBondContact O-N 2.92Å; V57-Q59 VanDerWaalsContact C-N 3.26Å; V57-Q59 PolarHBondContact O-N 3.27Å; V57-M60 PolarHBondContact O-N 3.22Å; V57-M60 VanDerWaalsContact O-N 3.14Å; V57-R61 PolarHBondContact O-N 3.37Å; V57-T195 HydrophobicContact CG1-CG2 4.32Å; V57-T195 VanDerWaalsContact CG1-OG1 3.24Å; V57-T195 WeakPolarHBondContact CG1-OG1 3.43Å; V57-M206 HydrophobicContact CG2-CE 4.34Å; V57-D208 HydrophobicContact CG2-CB 3.76Å
58	K	93.5	Very high	91.2	Very high	31 Å²	31	30.4 Å²	30.4	14%	0.135	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-40.7	173.4	-67.9	177.9	-176.4	177.2	0	111.4	S54 T55 M60 R61 I62 F68 L182 L183 C185	S54-K58 VanDerWaalsContact O-CG 3.3Å; S54-K58 WeakPolarHBondContact O-CG 3.46Å; S54-K58 PolarHBondContact O-N 3.11Å; T55-K58 WeakPolarHBondContact O-CB 3.49Å; T55-K58 PolarHBondContact O-N 3.22Å; K58-M60 PolarHBondContact O-N 3.23Å; K58-R61 WeakPolarHBondContact O-CB 3.27Å; K58-R61 PolarHBondContact O-N 3.19Å; K58-I62 WeakPolarHBondContact O-CG1 3.34Å; K58-I62 PolarHBondContact O-N 3.42Å; K58-F68 HydrophobicContact CB-CE2 4.48Å; K58-F68 HydrophobicContact CB-CZ 3.86Å; K58-F68 HydrophobicContact CD-CZ 4.28Å; K58-F68 HydrophobicContact CG-CZ 3.8Å; K58-L182 WeakPolarHBondContact CD-O 3.21Å; K58-L182 PolarHBondContact NZ-O 2.8Å; K58-L183 HydrophobicContact CB-CD2 3.78Å; K58-C185 PolarHBondContact NZ-O 3.42Å
59	Q	94.5	Very high	90.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-42	175.3	-68.5	-71.5	14.8	0	0	112.4	T55 I56 V57 R61 I62 L63 L183 A351 T354 I357	T55-Q59 WeakPolarHBondContact O-CG 3.34Å; T55-Q59 PolarHBondContact O-N 3.1Å; I56-Q59 WeakPolarHBondContact O-CB 3.13Å; I56-Q59 PolarHBondContact O-N 2.97Å; V57-Q59 VanDerWaalsContact C-N 3.26Å; V57-Q59 PolarHBondContact O-N 3.27Å; Q59-R61 VanDerWaalsContact C-N 3.26Å; Q59-R61 PolarHBondContact O-N 3.47Å; Q59-I62 PolarHBondContact O-N 2.92Å; Q59-L63 WeakPolarHBondContact O-CB 3.15Å; Q59-L63 WeakPolarHBondContact O-CG 3.34Å; Q59-L63 PolarHBondContact O-N 3.21Å; Q59-L183 HydrophobicContact CG-CD2 3.75Å; Q59-L183 VanDerWaalsContact NE2-CD1 3.33Å; Q59-A351 VanDerWaalsContact CG-O 3.22Å; Q59-A351 WeakPolarHBondContact CG-O 3.47Å; Q59-A351 PolarHBondContact NE2-O 3Å; Q59-T354 PolarHBondContact NE2-OG1 2.66Å; Q59-T354 PolarHBondContact OE1-OG1 2.78Å; Q59-I357 HydrophobicContact CB-CB 4.38Å; Q59-I357 HydrophobicContact CB-CG2 3.81Å; Q59-I357 HydrophobicContact CG-CB 4.3Å; Q59-I357 HydrophobicContact CG-CG1 4.16Å; Q59-I357 HydrophobicContact CG-CG2 4.22Å
60	M	93.1	Very high	90.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-35.8	176	-61.8	-61.3	115.8	0	0	112.1	I56 V57 K58 L63 H64 F197 M206 I357 F361	I56-M60 WeakPolarHBondContact O-CG 3.45Å; I56-M60 PolarHBondContact O-N 3.26Å; I56-M60 VanDerWaalsContact O-N 3.09Å; V57-M60 PolarHBondContact O-N 3.22Å; V57-M60 VanDerWaalsContact O-N 3.14Å; K58-M60 PolarHBondContact O-N 3.23Å; M60-L63 HydrophobicContact CE-CD1 4.31Å; M60-H64 WeakPolarHBondContact O-CB 3.45Å; M60-H64 PolarHBondContact O-N 2.96Å; M60-F197 HydrophobicContact CB-CD1 4.24Å; M60-F197 HydrophobicContact CB-CE1 3.92Å; M60-F197 HydrophobicContact CB-CZ 4.15Å; M60-F197 HydrophobicContact CG-CE1 4.02Å; M60-F197 HydrophobicContact CG-CZ 3.93Å; M60-F197 HydrophobicContact SD-CE1 4.36Å; M60-F197 HydrophobicContact SD-CE2 4.03Å; M60-F197 HydrophobicContact SD-CZ 3.66Å; M60-M206 HydrophobicContact CB-SD 4.49Å; M60-M206 HydrophobicContact CG-CE 3.81Å; M60-M206 HydrophobicContact CG-SD 3.58Å; M60-M206 VanDerWaalsContact CG-SD 3.58Å; M60-M206 HydrophobicContact SD-SD 4.24Å; M60-I357 HydrophobicContact CE-CG2 3.45Å; M60-I357 VanDerWaalsContact CE-CG2 3.45Å; M60-F361 HydrophobicContact CE-CB 4.25Å; M60-F361 HydrophobicContact CE-CD2 3.98Å; M60-F361 HydrophobicContact CE-CG 4.07Å; M60-F361 HydrophobicContact SD-CD1 4.39Å; M60-F361 HydrophobicContact SD-CD2 3.88Å; M60-F361 HydrophobicContact SD-CE1 4.4Å; M60-F361 HydrophobicContact SD-CE2 3.88Å; M60-F361 HydrophobicContact SD-CG 4.14Å; M60-F361 HydrophobicContact SD-CZ 4.16Å
61	R	91.1	Very high	89.5	Confident	59 Å²	59	39.9 Å²	39.9	22%	0.223	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-45.9	173.5	-69.2	-172.5	57.7	-176.3	-8.2	112.2	V57 K58 Q59 V65 G67 E72 T195	V57-R61 PolarHBondContact O-N 3.37Å; K58-R61 WeakPolarHBondContact O-CB 3.27Å; K58-R61 PolarHBondContact O-N 3.19Å; Q59-R61 VanDerWaalsContact C-N 3.26Å; Q59-R61 PolarHBondContact O-N 3.47Å; R61-V65 HydrophobicContact CB-CB 4.42Å; R61-V65 CarbonylContact O-C 3.5Å; R61-V65 VanDerWaalsContact O-C 3.28Å; R61-V65 WeakPolarHBondContact O-CA 3.4Å; R61-V65 PolarHBondContact O-N 2.98Å; R61-G67 PolarHBondContact NH2-O 3.16Å; R61-G67 WeakPolarHBondContact O-CA 3.24Å; R61-G67 PolarHBondContact O-N 3.37Å; R61-E72 IonicContact CZ-OE1 3.18Å; R61-E72 IonicContact CZ-OE2 3.79Å; R61-E72 IonicContact NH1-OE1 2.78Å; R61-E72 PolarHBondContact NH1-OE1 3.37Å; R61-E72 IonicContact NH1-OE2 3.1Å; R61-E72 IonicContact NH2-OE1 2.68Å; R61-E72 PolarHBondContact NH2-OE1 2.82Å; R61-E72 IonicContact NH2-OE2 3.59Å; R61-E72 PolarHBondContact NH2-OE2 3.35Å; R61-T195 HydrophobicContact CG-CG2 4.01Å
62	I	91.1	Very high	88.8	Confident	36 Å²	36	42.3 Å²	42.3	19%	0.185	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-46.9	176.9	-67.6	167.3	0	0	0	110.8	K58 Q59 F68 D179 L183 T354	K58-I62 WeakPolarHBondContact O-CG1 3.34Å; K58-I62 PolarHBondContact O-N 3.42Å; Q59-I62 PolarHBondContact O-N 2.92Å; I62-F68 HydrophobicContact CD1-CE2 4.03Å; I62-F68 HydrophobicContact CG1-CD2 4.25Å; I62-F68 HydrophobicContact CG1-CE2 3.83Å; I62-D179 HydrophobicContact CD1-CB 4.12Å; I62-L183 HydrophobicContact CD1-CD1 3.83Å; I62-L183 HydrophobicContact CD1-CD2 3.91Å; I62-L183 HydrophobicContact CD1-CG 3.83Å; I62-T354 HydrophobicContact CG2-CG2 4.36Å
63	L	90	Very high	88.3	Confident	29 Å²	29	43.7 Å²	43.7	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-74.8	-32.4	-175.1	-69.3	171.6	0	0	0	113.4	Q59 M60 T354 I357 R358	Q59-L63 WeakPolarHBondContact O-CB 3.15Å; Q59-L63 WeakPolarHBondContact O-CG 3.34Å; Q59-L63 PolarHBondContact O-N 3.21Å; M60-L63 HydrophobicContact CE-CD1 4.31Å; L63-T354 HydrophobicContact CD2-CG2 3.65Å; L63-T354 HydrophobicContact CG-CG2 4.17Å; L63-I357 HydrophobicContact CD1-CG2 4.48Å; L63-R358 HydrophobicContact CD1-CB 4.2Å; L63-R358 HydrophobicContact CD2-CB 4.29Å; L63-R358 HydrophobicContact CD2-CG 4.49Å
64	H	89.2	Confident	87.5	Confident	57 Å²	57	46.3 Å²	46.3	26%	0.264	26%	0.264	S	S	.	.	H	α-helix	trans	-136.9	-4.9	-164.3	-54.1	-54.1	0	0	0	116.2	M60 F197	M60-H64 WeakPolarHBondContact O-CB 3.45Å; M60-H64 PolarHBondContact O-N 2.96Å; H64-F197 HydrophobicContact CB-CB 3.85Å; H64-F197 HydrophobicContact CB-CD2 3.79Å; H64-F197 HydrophobicContact CB-CG 4.12Å; H64-F197 AromaticContact CD2-CD2 3.65Å; H64-F197 AromaticContact CD2-CE2 3.76Å; H64-F197 AromaticContact CG-CD2 3.9Å
65	V	84.4	Confident	87	Confident	56 Å²	56	49.2 Å²	49.2	34%	0.339	28%	0.281	S	S	.	.	S	Bend	trans	-133.5	41.4	-174.5	-160.9	0	0	0	0	111.6	R61 G67 F197	R61-V65 HydrophobicContact CB-CB 4.42Å; R61-V65 CarbonylContact O-C 3.5Å; R61-V65 VanDerWaalsContact O-C 3.28Å; R61-V65 WeakPolarHBondContact O-CA 3.4Å; R61-V65 PolarHBondContact O-N 2.98Å; V65-G67 PolarHBondContact O-N 2.95Å; V65-F197 HydrophobicContact CG2-CB 3.56Å
66	N	80.3	Confident	86.8	Confident	170 Å²	170	50.4 Å²	50.4	91%	0.909	28%	0.284	S	S	*	.			trans	50.8	27.7	179.8	-86	-2	0	0	0	114.7
67	G	80.2	Confident	86.7	Confident	8 Å²	8	51.6 Å²	51.6	8%	0.082	29%	0.291	C	S	.	.			trans	58.9	-135.4	175.3	0	0	0	0	0	115	R61 V65	R61-G67 PolarHBondContact NH2-O 3.16Å; R61-G67 WeakPolarHBondContact O-CA 3.24Å; R61-G67 PolarHBondContact O-N 3.37Å; V65-G67 PolarHBondContact O-N 2.95Å
68	F	82.4	Confident	86.7	Confident	22 Å²	22	55 Å²	55	10%	0.096	31%	0.306	C	S	.	.			trans	-112.6	129.8	179.7	-59.8	-85.3	0	0	0	109.9	K58 I62 E72 K73 L182	K58-F68 HydrophobicContact CB-CE2 4.48Å; K58-F68 HydrophobicContact CB-CZ 3.86Å; K58-F68 HydrophobicContact CD-CZ 4.28Å; K58-F68 HydrophobicContact CG-CZ 3.8Å; I62-F68 HydrophobicContact CD1-CE2 4.03Å; I62-F68 HydrophobicContact CG1-CD2 4.25Å; I62-F68 HydrophobicContact CG1-CE2 3.83Å; F68-E72 WeakPolarHBondContact CA-OE2 3.26Å; F68-K73 HydrophobicContact CB-CG 4.27Å; F68-K73 WeakPolarHBondContact O-CE 3.21Å; F68-L182 HydrophobicContact CB-CD1 3.68Å; F68-L182 HydrophobicContact CD1-CD1 4.21Å; F68-L182 HydrophobicContact CD2-CB 4.3Å; F68-L182 HydrophobicContact CD2-CD1 3.33Å; F68-L182 HydrophobicContact CD2-CG 4.45Å; F68-L182 HydrophobicContact CE2-CB 4.07Å; F68-L182 HydrophobicContact CE2-CD1 3.96Å; F68-L182 HydrophobicContact CG-CD1 3.47Å; F68-L182 VanDerWaalsContact CG-CD1 3.47Å; F68-L182 HydrophobicContact CZ-CB 4.44Å
69	N	83.7	Confident	86.8	Confident	87 Å²	87	55.4 Å²	55.4	47%	0.465	31%	0.31	S	S	.	.			trans	-80.2	170.6	179.4	70.4	27.7	0	0	0	112	D71 E72 K73	N69-D71 PolarHBondContact O-N 3Å; N69-D71 PolarHBondContact OD1-N 2.97Å; N69-E72 PolarHBondContact N-OE2 3.14Å; N69-E72 VanDerWaalsContact N-OE2 3.08Å; N69-E72 PolarHBondContact O-N 2.95Å; N69-E72 VanDerWaalsContact OD1-CB 3.28Å; N69-E72 WeakPolarHBondContact OD1-CB 3.46Å; N69-E72 VanDerWaalsContact OD1-CG 3.23Å; N69-E72 WeakPolarHBondContact OD1-CG 3.4Å; N69-E72 PolarHBondContact OD1-N 3.47Å; N69-K73 WeakPolarHBondContact O-CG 3.35Å; N69-K73 PolarHBondContact O-N 3.19Å
70	G	78.6	Confident	86.9	Confident	55 Å²	55	55.4 Å²	55.4	57%	0.567	31%	0.31	S	S	*	.	H	α-helix	trans	-59.6	-40.7	-176.2	0	0	0	0	0	114.1	K73 A74	G70-K73 WeakPolarHBondContact O-CB 3.24Å; G70-K73 PolarHBondContact O-N 3.38Å; G70-A74 PolarHBondContact O-N 3.46Å
71	D	79.7	Confident	87.1	Confident	134 Å²	134	57.4 Å²	57.4	72%	0.717	32%	0.318	S	S	*	.	H	α-helix	trans	-68.9	-40.9	179.9	-60	-28.5	0	0	0	111.5	N69 K73 A74 T75	N69-D71 PolarHBondContact O-N 3Å; N69-D71 PolarHBondContact OD1-N 2.97Å; D71-K73 VanDerWaalsContact C-N 3.33Å; D71-K73 PolarHBondContact O-N 3.37Å; D71-A74 PolarHBondContact O-N 3.1Å; D71-T75 PolarHBondContact O-N 2.74Å
72	E	81.6	Confident	87.4	Confident	53 Å²	53	57.9 Å²	57.9	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-44.6	172.2	-76.6	179.6	137.6	0	0	110.5	R61 F68 N69 A74 T75 K76	R61-E72 IonicContact CZ-OE1 3.18Å; R61-E72 IonicContact CZ-OE2 3.79Å; R61-E72 IonicContact NH1-OE1 2.78Å; R61-E72 PolarHBondContact NH1-OE1 3.37Å; R61-E72 IonicContact NH1-OE2 3.1Å; R61-E72 IonicContact NH2-OE1 2.68Å; R61-E72 PolarHBondContact NH2-OE1 2.82Å; R61-E72 IonicContact NH2-OE2 3.59Å; R61-E72 PolarHBondContact NH2-OE2 3.35Å; F68-E72 WeakPolarHBondContact CA-OE2 3.26Å; N69-E72 PolarHBondContact N-OE2 3.14Å; N69-E72 VanDerWaalsContact N-OE2 3.08Å; N69-E72 PolarHBondContact O-N 2.95Å; N69-E72 VanDerWaalsContact OD1-CB 3.28Å; N69-E72 WeakPolarHBondContact OD1-CB 3.46Å; N69-E72 VanDerWaalsContact OD1-CG 3.23Å; N69-E72 WeakPolarHBondContact OD1-CG 3.4Å; N69-E72 PolarHBondContact OD1-N 3.47Å; E72-A74 VanDerWaalsContact C-N 3.29Å; E72-A74 PolarHBondContact O-N 3.01Å; E72-T75 PolarHBondContact O-N 3.01Å; E72-T75 PolarHBondContact O-OG1 3.36Å; E72-K76 WeakPolarHBondContact O-CG 3.4Å; E72-K76 PolarHBondContact O-N 2.81Å
73	K	84.4	Confident	87.7	Confident	40 Å²	40	56.5 Å²	56.5	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-40.9	177.2	-72.8	-172.9	-179.3	-149.5	0	112	F68 N69 G70 D71 K76 V77 V176 D179 L182	F68-K73 HydrophobicContact CB-CG 4.27Å; F68-K73 WeakPolarHBondContact O-CE 3.21Å; N69-K73 WeakPolarHBondContact O-CG 3.35Å; N69-K73 PolarHBondContact O-N 3.19Å; G70-K73 WeakPolarHBondContact O-CB 3.24Å; G70-K73 PolarHBondContact O-N 3.38Å; D71-K73 VanDerWaalsContact C-N 3.33Å; D71-K73 PolarHBondContact O-N 3.37Å; K73-K76 PolarHBondContact O-N 3.39Å; K73-K76 VanDerWaalsContact O-N 3.16Å; K73-V77 PolarHBondContact O-N 3.09Å; K73-V176 HydrophobicContact CD-CG1 4.25Å; K73-D179 IonicContact NZ-OD1 2.77Å; K73-D179 PolarHBondContact NZ-OD1 2.83Å; K73-L182 HydrophobicContact CG-CD1 4.1Å
74	A	80.1	Confident	88.1	Confident	66 Å²	66	55.1 Å²	55.1	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-44.8	176.8	0	0	0	0	0	112.2	G70 D71 E72 K76 V77	G70-A74 PolarHBondContact O-N 3.46Å; D71-A74 PolarHBondContact O-N 3.1Å; E72-A74 VanDerWaalsContact C-N 3.29Å; E72-A74 PolarHBondContact O-N 3.01Å; A74-K76 PolarHBondContact O-N 2.68Å; A74-V77 WeakPolarHBondContact O-CB 3.17Å; A74-V77 PolarHBondContact O-N 2.69Å
75	T	83.1	Confident	88.5	Confident	91 Å²	91	53.1 Å²	53.1	56%	0.558	30%	0.302	S	S	*	.	H	α-helix	trans	-64.7	-28.5	176.1	63.6	0	0	0	0	112.9	D71 E72	D71-T75 PolarHBondContact O-N 2.74Å; E72-T75 PolarHBondContact O-N 3.01Å; E72-T75 PolarHBondContact O-OG1 3.36Å
76	K	91.3	Very high	89.2	Confident	50 Å²	50	52.5 Å²	52.5	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-79.9	-17.7	-179.6	-66.5	-74.9	154.1	-148.9	0	113.9	E72 K73 A74 Q78 D79 I80 L182	E72-K76 WeakPolarHBondContact O-CG 3.4Å; E72-K76 PolarHBondContact O-N 2.81Å; K73-K76 PolarHBondContact O-N 3.39Å; K73-K76 VanDerWaalsContact O-N 3.16Å; A74-K76 PolarHBondContact O-N 2.68Å; K76-Q78 PolarHBondContact O-N 3.26Å; K76-D79 WeakPolarHBondContact CD-OD2 3.42Å; K76-D79 IonicContact NZ-OD2 2.62Å; K76-D79 PolarHBondContact NZ-OD2 3.36Å; K76-D79 PolarHBondContact O-N 3.38Å; K76-I80 WeakPolarHBondContact O-CG1 3.35Å; K76-I80 PolarHBondContact O-N 2.86Å; K76-L182 HydrophobicContact CB-CD2 3.39Å; K76-L182 HydrophobicContact CD-CD2 4.35Å; K76-L182 HydrophobicContact CG-CD2 3.72Å
77	V	94.8	Very high	90	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-44.2	172.1	173.1	0	0	0	0	110.1	K73 A74 I80 K81 Y175 P177	K73-V77 PolarHBondContact O-N 3.09Å; A74-V77 WeakPolarHBondContact O-CB 3.17Å; A74-V77 PolarHBondContact O-N 2.69Å; V77-I80 PolarHBondContact O-N 2.91Å; V77-K81 HydrophobicContact CG1-CD 4.13Å; V77-K81 HydrophobicContact CG1-CG 4.46Å; V77-K81 WeakPolarHBondContact O-CG 3.37Å; V77-K81 PolarHBondContact O-N 3Å; V77-Y175 HydrophobicContact CG1-CD1 4.15Å; V77-Y175 HydrophobicContact CG2-CD1 4.31Å; V77-Y175 HydrophobicContact CG2-CE1 4.49Å; V77-P177 HydrophobicContact CG2-CG 3.63Å
78	Q	93.5	Very high	90.9	Very high	83 Å²	83	44 Å²	44	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-43	-179.8	-169	58.5	45.7	0	0	111.9	K76 I80 K81 N82	K76-Q78 PolarHBondContact O-N 3.26Å; Q78-I80 VanDerWaalsContact C-N 3.3Å; Q78-I80 PolarHBondContact O-N 3.07Å; Q78-K81 PolarHBondContact O-N 2.62Å; Q78-N82 PolarHBondContact NE2-OD1 3.4Å; Q78-N82 WeakPolarHBondContact O-CB 3.44Å; Q78-N82 PolarHBondContact O-N 3.14Å; Q78-N82 PolarHBondContact O-ND2 2.96Å; Q78-N82 PolarHBondContact O-OD1 3.5Å
79	D	95.3	Very high	91.7	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-40.5	176.8	-67.2	-25.5	0	0	0	111.7	K76 N82 N83 C185 V187	K76-D79 WeakPolarHBondContact CD-OD2 3.42Å; K76-D79 IonicContact NZ-OD2 2.62Å; K76-D79 PolarHBondContact NZ-OD2 3.36Å; K76-D79 PolarHBondContact O-N 3.38Å; D79-N82 PolarHBondContact O-N 3.37Å; D79-N83 VanDerWaalsContact O-CG 3.25Å; D79-N83 PolarHBondContact O-N 3.11Å; D79-N83 PolarHBondContact O-OD1 3.31Å; D79-C185 VanDerWaalsContact CB-SG 3.52Å; D79-V187 HydrophobicContact CB-CG2 4.16Å
80	I	97.4	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-44.6	178	-69.5	161.6	0	0	0	111.2	K76 V77 Q78 N82 N83 L84 F163 I170 Y175 P177 D181 L182 C185	K76-I80 WeakPolarHBondContact O-CG1 3.35Å; K76-I80 PolarHBondContact O-N 2.86Å; V77-I80 PolarHBondContact O-N 2.91Å; Q78-I80 VanDerWaalsContact C-N 3.3Å; Q78-I80 PolarHBondContact O-N 3.07Å; I80-N82 VanDerWaalsContact C-N 3.3Å; I80-N82 PolarHBondContact O-N 3.39Å; I80-N83 PolarHBondContact O-N 2.95Å; I80-L84 PolarHBondContact O-N 3.39Å; I80-F163 HydrophobicContact CB-CE1 4.48Å; I80-F163 HydrophobicContact CG1-CE1 4.21Å; I80-F163 HydrophobicContact CG1-CZ 4.07Å; I80-F163 HydrophobicContact CG2-CD1 3.85Å; I80-F163 HydrophobicContact CG2-CE1 3.63Å; I80-F163 HydrophobicContact CG2-CZ 4.11Å; I80-I170 HydrophobicContact CG2-CD1 3.87Å; I80-I170 HydrophobicContact CG2-CG1 4.29Å; I80-I170 HydrophobicContact CG2-CG2 4.4Å; I80-Y175 HydrophobicContact CD1-CE1 4.49Å; I80-Y175 HydrophobicContact CG2-CE1 4.4Å; I80-P177 HydrophobicContact CD1-CB 3.62Å; I80-P177 HydrophobicContact CD1-CG 3.7Å; I80-D181 HydrophobicContact CD1-CB 3.85Å; I80-L182 HydrophobicContact CD1-CD2 4.43Å; I80-C185 HydrophobicContact CG1-CB 3.92Å
81	K	97.3	Very high	93.3	Very high	43 Å²	43	39.3 Å²	39.3	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-42.5	175	-74.4	-178.3	176.9	-175.2	0	111.2	V77 Q78 N83 L84 K85 F127 Y132 I170	V77-K81 HydrophobicContact CG1-CD 4.13Å; V77-K81 HydrophobicContact CG1-CG 4.46Å; V77-K81 WeakPolarHBondContact O-CG 3.37Å; V77-K81 PolarHBondContact O-N 3Å; Q78-K81 PolarHBondContact O-N 2.62Å; K81-N83 PolarHBondContact O-N 3.3Å; K81-L84 PolarHBondContact O-N 2.68Å; K81-K85 PolarHBondContact O-N 3.12Å; K81-F127 HydrophobicContact CB-CD1 3.92Å; K81-F127 HydrophobicContact CB-CD2 4.36Å; K81-F127 HydrophobicContact CB-CE1 3.62Å; K81-F127 HydrophobicContact CB-CE2 4.16Å; K81-F127 HydrophobicContact CB-CG 4.28Å; K81-F127 HydrophobicContact CB-CZ 3.76Å; K81-F127 HydrophobicContact CD-CB 4.45Å; K81-F127 HydrophobicContact CD-CD1 4.42Å; K81-F127 HydrophobicContact CD-CD2 4.34Å; K81-F127 HydrophobicContact CD-CG 4.14Å; K81-F127 HydrophobicContact CG-CD1 4.45Å; K81-F127 VanDerWaalsContact O-CE1 3.25Å; K81-F127 WeakPolarHBondContact O-CE1 3.34Å; K81-Y132 WeakPolarHBondContact CD-OH 3.39Å; K81-Y132 WeakPolarHBondContact CE-OH 3.43Å; K81-I170 HydrophobicContact CG-CG2 4.02Å
82	N	96.6	Very high	94.2	Very high	70 Å²	70	33.1 Å²	33.1	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-41.6	174.6	-68	-15.7	0	0	0	111.9	Q78 D79 I80 K85 E86 F127	Q78-N82 PolarHBondContact NE2-OD1 3.4Å; Q78-N82 WeakPolarHBondContact O-CB 3.44Å; Q78-N82 PolarHBondContact O-N 3.14Å; Q78-N82 PolarHBondContact O-ND2 2.96Å; Q78-N82 PolarHBondContact O-OD1 3.5Å; D79-N82 PolarHBondContact O-N 3.37Å; I80-N82 VanDerWaalsContact C-N 3.3Å; I80-N82 PolarHBondContact O-N 3.39Å; N82-K85 PolarHBondContact O-N 2.96Å; N82-E86 WeakPolarHBondContact O-CB 3.46Å; N82-E86 PolarHBondContact O-N 2.98Å; N82-F127 WeakPolarHBondContact OD1-CZ 3.33Å
83	N	97.8	Very high	95	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-40.8	175.2	-67.2	162.7	0	0	0	112.5	D79 I80 K81 K85 E86 A87 I157 F163 C185 R186	D79-N83 VanDerWaalsContact O-CG 3.25Å; D79-N83 PolarHBondContact O-N 3.11Å; D79-N83 PolarHBondContact O-OD1 3.31Å; I80-N83 PolarHBondContact O-N 2.95Å; K81-N83 PolarHBondContact O-N 3.3Å; N83-K85 VanDerWaalsContact C-N 3.35Å; N83-E86 PolarHBondContact O-N 3.09Å; N83-A87 VanDerWaalsContact O-CB 3.3Å; N83-A87 WeakPolarHBondContact O-CB 3.34Å; N83-A87 PolarHBondContact O-N 3.31Å; N83-I157 HydrophobicContact CB-CD1 3.86Å; N83-I157 VanDerWaalsContact O-CD1 3.29Å; N83-I157 WeakPolarHBondContact O-CD1 3.22Å; N83-F163 HydrophobicContact CB-CD2 3.94Å; N83-F163 HydrophobicContact CB-CE2 3.95Å; N83-C185 WeakPolarHBondContact OD1-CA 3.42Å; N83-C185 PolarHBondContact OD1-SG 3.41Å; N83-C185 VanDerWaalsContact OD1-SG 3.38Å; N83-R186 PolarHBondContact ND2-O 3.39Å; N83-R186 PolarHBondContact OD1-N 3.29Å; N83-R186 PolarHBondContact OD1-O 3.43Å
84	L	98.4	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-44.1	175.9	-178	163.4	0	0	0	110.9	I80 K81 A87 I88 F131 F163 L164 I167 I170	I80-L84 PolarHBondContact O-N 3.39Å; K81-L84 PolarHBondContact O-N 2.68Å; L84-A87 PolarHBondContact O-N 3.46Å; L84-I88 PolarHBondContact O-N 3.47Å; L84-I88 VanDerWaalsContact O-N 3.14Å; L84-F131 HydrophobicContact CD2-CE1 3.58Å; L84-F131 HydrophobicContact CD2-CZ 3.67Å; L84-F163 HydrophobicContact CB-CB 4.34Å; L84-L164 HydrophobicContact CG-CD2 4.36Å; L84-I167 HydrophobicContact CD1-CG1 3.87Å; L84-I167 HydrophobicContact CD2-CG1 4.5Å; L84-I167 HydrophobicContact CG-CG1 4.34Å; L84-I170 HydrophobicContact CD1-CB 4.22Å; L84-I170 HydrophobicContact CD1-CD1 3.74Å; L84-I170 HydrophobicContact CD1-CG2 4.07Å
85	K	98.3	Very high	96.6	Very high	14 Å²	14	27.9 Å²	27.9	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-50.8	174.6	-177.2	177.3	-177.2	-62.8	0	112.3	K81 N82 N83 A87 I88 E89 V119 M120 F125 F127 F131	K81-K85 PolarHBondContact O-N 3.12Å; N82-K85 PolarHBondContact O-N 2.96Å; N83-K85 VanDerWaalsContact C-N 3.35Å; K85-A87 PolarHBondContact O-N 3.04Å; K85-I88 WeakPolarHBondContact O-CG2 3.23Å; K85-I88 PolarHBondContact O-N 3.44Å; K85-E89 IonicContact NZ-OE2 2.65Å; K85-E89 PolarHBondContact NZ-OE2 3.28Å; K85-E89 WeakPolarHBondContact O-CB 3.43Å; K85-E89 WeakPolarHBondContact O-CG 3.16Å; K85-E89 PolarHBondContact O-N 2.9Å; K85-V119 VanDerWaalsContact CE-O 3.27Å; K85-V119 WeakPolarHBondContact CE-O 3.45Å; K85-V119 PolarHBondContact NZ-O 3.19Å; K85-M120 PolarHBondContact NZ-O 3.45Å; K85-F125 HydrophobicContact CD-CB 4.37Å; K85-F125 HydrophobicContact CD-CD1 3.75Å; K85-F125 HydrophobicContact CD-CE1 4.29Å; K85-F125 HydrophobicContact CD-CG 4.2Å; K85-F127 HydrophobicContact CB-CE1 3.91Å; K85-F127 HydrophobicContact CB-CZ 4.33Å; K85-F127 HydrophobicContact CD-CE1 4.16Å; K85-F127 HydrophobicContact CD-CZ 4.12Å; K85-F131 HydrophobicContact CB-CE2 4.24Å; K85-F131 HydrophobicContact CB-CZ 3.74Å; K85-F131 HydrophobicContact CG-CE2 4Å; K85-F131 HydrophobicContact CG-CZ 4.03Å
86	E	97.8	Very high	97.2	Very high	44 Å²	44	27.8 Å²	27.8	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-54.8	-41.3	176.1	-175.5	-175.3	175.9	0	0	111	N82 N83 E89 T90 I157 R186	N82-E86 WeakPolarHBondContact O-CB 3.46Å; N82-E86 PolarHBondContact O-N 2.98Å; N83-E86 PolarHBondContact O-N 3.09Å; E86-E89 WeakPolarHBondContact CA-OE1 3.03Å; E86-T90 WeakPolarHBondContact O-CB 3.25Å; E86-T90 PolarHBondContact O-N 3.45Å; E86-T90 VanDerWaalsContact O-N 3.1Å; E86-T90 PolarHBondContact O-OG1 2.97Å; E86-I157 HydrophobicContact CB-CD1 4.44Å; E86-I157 HydrophobicContact CG-CG2 4.41Å; E86-I157 VanDerWaalsContact OE1-CG2 3.31Å; E86-I157 WeakPolarHBondContact OE1-CG2 3.35Å; E86-R186 VanDerWaalsContact CD-NH1 3.3Å; E86-R186 IonicContact OE1-CZ 3.26Å; E86-R186 IonicContact OE1-NH1 3.86Å; E86-R186 PolarHBondContact OE1-NH1 3.42Å; E86-R186 IonicContact OE2-NH1 3.82Å; E86-R186 PolarHBondContact OE2-NH1 2.93Å
87	A	98.6	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-55.6	179.7	0	0	0	0	0	112.4	N83 L84 K85 I91 I157 A160 L164	N83-A87 VanDerWaalsContact O-CB 3.3Å; N83-A87 WeakPolarHBondContact O-CB 3.34Å; N83-A87 PolarHBondContact O-N 3.31Å; L84-A87 PolarHBondContact O-N 3.46Å; K85-A87 PolarHBondContact O-N 3.04Å; A87-I91 WeakPolarHBondContact O-CD1 3.27Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.37Å; A87-I91 PolarHBondContact O-N 3.5Å; A87-I157 HydrophobicContact CB-CD1 4.24Å; A87-I157 HydrophobicContact CB-CG1 4.37Å; A87-A160 HydrophobicContact CB-CB 3.63Å; A87-L164 HydrophobicContact CB-CD1 4.06Å; A87-L164 HydrophobicContact CB-CG 4.26Å
88	I	98.7	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-41.6	-176.1	-169	62.7	0	0	0	111.9	L84 K85 T90 I91 V92 I116 F131 A135 L138 V144 L164	L84-I88 PolarHBondContact O-N 3.47Å; L84-I88 VanDerWaalsContact O-N 3.14Å; K85-I88 WeakPolarHBondContact O-CG2 3.23Å; K85-I88 PolarHBondContact O-N 3.44Å; I88-T90 VanDerWaalsContact C-N 3.35Å; I88-T90 PolarHBondContact O-N 2.85Å; I88-I91 PolarHBondContact O-N 3.29Å; I88-V92 HydrophobicContact CD1-CG2 4.19Å; I88-V92 HydrophobicContact CG1-CG2 4.28Å; I88-V92 WeakPolarHBondContact O-CB 3.48Å; I88-V92 VanDerWaalsContact O-CG2 3.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.28Å; I88-V92 PolarHBondContact O-N 2.93Å; I88-I116 HydrophobicContact CG2-CD1 4.36Å; I88-I116 HydrophobicContact CG2-CG2 4.48Å; I88-F131 HydrophobicContact CG2-CE2 4.27Å; I88-F131 HydrophobicContact CG2-CZ 4.3Å; I88-A135 HydrophobicContact CB-CB 4.39Å; I88-A135 HydrophobicContact CG1-CB 4.06Å; I88-A135 HydrophobicContact CG2-CB 4.12Å; I88-L138 HydrophobicContact CD1-CB 4.19Å; I88-V144 HydrophobicContact CD1-CG1 4.5Å; I88-L164 HydrophobicContact CB-CD2 3.92Å; I88-L164 HydrophobicContact CD1-CD2 4.43Å
89	E	98.2	Very high	97.7	Very high	30 Å²	30	32.9 Å²	32.9	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-37.7	-177.8	77.7	-169.6	178.6	0	0	111.7	K85 E86 A93 I116 M120	K85-E89 IonicContact NZ-OE2 2.65Å; K85-E89 PolarHBondContact NZ-OE2 3.28Å; K85-E89 WeakPolarHBondContact O-CB 3.43Å; K85-E89 WeakPolarHBondContact O-CG 3.16Å; K85-E89 PolarHBondContact O-N 2.9Å; E86-E89 WeakPolarHBondContact CA-OE1 3.03Å; E89-A93 VanDerWaalsContact O-CB 3.25Å; E89-A93 WeakPolarHBondContact O-CB 3.49Å; E89-A93 PolarHBondContact O-N 2.88Å; E89-I116 HydrophobicContact CB-CG2 4.04Å; E89-M120 HydrophobicContact CB-CE 3.62Å; E89-M120 HydrophobicContact CB-CG 4.29Å; E89-M120 HydrophobicContact CG-CE 3.84Å; E89-M120 HydrophobicContact CG-CG 4.14Å; E89-M120 VanDerWaalsContact O-CE 3.22Å; E89-M120 WeakPolarHBondContact O-CE 3.34Å; E89-M120 WeakPolarHBondContact OE2-CA 3.22Å
90	T	98.5	Very high	97.8	Very high	34 Å²	34	35.3 Å²	35.3	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-43.1	177.7	-61.4	0	0	0	0	111.2	E86 I88 A94 Y154 L156	E86-T90 WeakPolarHBondContact O-CB 3.25Å; E86-T90 PolarHBondContact O-N 3.45Å; E86-T90 VanDerWaalsContact O-N 3.1Å; E86-T90 PolarHBondContact O-OG1 2.97Å; I88-T90 VanDerWaalsContact C-N 3.35Å; I88-T90 PolarHBondContact O-N 2.85Å; T90-A94 WeakPolarHBondContact O-CB 3.19Å; T90-A94 PolarHBondContact O-N 3.38Å; T90-A94 VanDerWaalsContact O-N 3.09Å; T90-Y154 HydrophobicContact CG2-CD2 3.89Å; T90-Y154 HydrophobicContact CG2-CE2 4.09Å; T90-L156 HydrophobicContact CG2-CD1 4.08Å
91	I	98.8	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-50.9	178.8	-64	161.5	0	0	0	109.7	A87 I88 A93 A94 M95 W139 V144 C147 Y148 L156 L164	A87-I91 WeakPolarHBondContact O-CD1 3.27Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.37Å; A87-I91 PolarHBondContact O-N 3.5Å; I88-I91 PolarHBondContact O-N 3.29Å; I91-A93 PolarHBondContact O-N 3.03Å; I91-A94 WeakPolarHBondContact O-CB 3.36Å; I91-A94 PolarHBondContact O-N 3.49Å; I91-A94 VanDerWaalsContact O-N 3.11Å; I91-M95 PolarHBondContact O-N 3.45Å; I91-W139 HydrophobicContact CD1-CZ3 3.83Å; I91-V144 HydrophobicContact CG2-CG1 3.79Å; I91-C147 HydrophobicContact CG2-CB 4.08Å; I91-C147 PolarHBondContact O-SG 2.73Å; I91-C147 VanDerWaalsContact O-SG 3.39Å; I91-Y148 HydrophobicContact CD1-CD2 3.92Å; I91-L156 HydrophobicContact CD1-CD1 4.27Å; I91-L156 HydrophobicContact CD1-CD2 4.1Å; I91-L156 HydrophobicContact CG1-CD1 3.85Å; I91-L156 HydrophobicContact CG1-CD2 3.92Å; I91-L164 HydrophobicContact CD1-CD1 3.86Å
92	V	98.5	Very high	97.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-42.4	-177.9	172.5	0	0	0	0	111.5	I88 A94 M95 V113 I116 L117 L138	I88-V92 HydrophobicContact CD1-CG2 4.19Å; I88-V92 HydrophobicContact CG1-CG2 4.28Å; I88-V92 WeakPolarHBondContact O-CB 3.48Å; I88-V92 VanDerWaalsContact O-CG2 3.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.28Å; I88-V92 PolarHBondContact O-N 2.93Å; V92-A94 VanDerWaalsContact C-N 3.28Å; V92-A94 PolarHBondContact O-N 3.43Å; V92-M95 WeakPolarHBondContact O-CB 3.19Å; V92-M95 PolarHBondContact O-N 3.41Å; V92-V113 HydrophobicContact CG1-CB 4.14Å; V92-V113 HydrophobicContact CG1-CG1 3.63Å; V92-V113 HydrophobicContact CG1-CG2 3.99Å; V92-I116 HydrophobicContact CB-CG2 4.43Å; V92-I116 HydrophobicContact CG2-CG2 4.48Å; V92-L117 HydrophobicContact CG1-CD2 4.09Å; V92-L117 HydrophobicContact CG1-CG 4.16Å; V92-L138 HydrophobicContact CG2-CD1 4.15Å
93	A	98.2	Very high	98	Very high	27 Å²	27	41.5 Å²	41.5	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-70.2	-23.1	177.1	0	0	0	0	0	113.9	E89 I91 N97 L117 M120	E89-A93 VanDerWaalsContact O-CB 3.25Å; E89-A93 WeakPolarHBondContact O-CB 3.49Å; E89-A93 PolarHBondContact O-N 2.88Å; I91-A93 PolarHBondContact O-N 3.03Å; A93-N97 PolarHBondContact O-ND2 3.32Å; A93-L117 HydrophobicContact CB-CD2 3.81Å; A93-M120 HydrophobicContact CB-CE 3.58Å
94	A	98.4	Very high	98	Very high	10 Å²	10	42.2 Å²	42.2	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-75.2	-27.5	176.4	0	0	0	0	0	112.6	T90 I91 V92 S96 N97 L98 Y154	T90-A94 WeakPolarHBondContact O-CB 3.19Å; T90-A94 PolarHBondContact O-N 3.38Å; T90-A94 VanDerWaalsContact O-N 3.09Å; I91-A94 WeakPolarHBondContact O-CB 3.36Å; I91-A94 PolarHBondContact O-N 3.49Å; I91-A94 VanDerWaalsContact O-N 3.11Å; V92-A94 VanDerWaalsContact C-N 3.28Å; V92-A94 PolarHBondContact O-N 3.43Å; A94-S96 VanDerWaalsContact C-N 3.31Å; A94-S96 PolarHBondContact O-N 3.27Å; A94-S96 VanDerWaalsContact O-N 3.17Å; A94-N97 PolarHBondContact O-N 2.65Å; A94-L98 WeakPolarHBondContact O-CG 3.34Å; A94-L98 PolarHBondContact O-N 3Å; A94-Y154 HydrophobicContact CB-CD1 3.6Å; A94-Y154 HydrophobicContact CB-CD2 3.92Å; A94-Y154 HydrophobicContact CB-CE1 3.59Å; A94-Y154 HydrophobicContact CB-CE2 3.91Å; A94-Y154 HydrophobicContact CB-CG 3.75Å
95	M	98.5	Very high	98	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.059	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-46.8	-173.9	-70.5	-177	72.8	0	0	113.6	I91 V92 P101 V102 L104 V144 C147	I91-M95 PolarHBondContact O-N 3.45Å; V92-M95 WeakPolarHBondContact O-CB 3.19Å; V92-M95 PolarHBondContact O-N 3.41Å; M95-P101 WeakPolarHBondContact O-CA 3.25Å; M95-V102 WeakPolarHBondContact CB-O 3.4Å; M95-V102 HydrophobicContact CE-CG1 4.32Å; M95-V102 WeakPolarHBondContact CE-O 3.25Å; M95-V102 PolarHBondContact O-N 3.17Å; M95-L104 HydrophobicContact CE-CD2 4.1Å; M95-L104 HydrophobicContact CE-CG 4.34Å; M95-V144 HydrophobicContact CE-CG2 4.23Å; M95-V144 HydrophobicContact SD-CG2 3.83Å; M95-C147 HydrophobicContact CG-CB 3.75Å
96	S	97.4	Very high	98	Very high	90 Å²	90	47.4 Å²	47.4	63%	0.629	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-16.5	179.7	58.1	0	0	0	0	114.5	A94	A94-S96 VanDerWaalsContact C-N 3.31Å; A94-S96 PolarHBondContact O-N 3.27Å; A94-S96 VanDerWaalsContact O-N 3.17Å
97	N	96.9	Very high	98	Very high	127 Å²	127	50 Å²	50	68%	0.679	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-16.9	-177.4	-70.4	-50.3	0	0	0	113.1	A93 A94	A93-N97 PolarHBondContact O-ND2 3.32Å; A94-N97 PolarHBondContact O-N 2.65Å
98	L	96.8	Very high	98	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.068	34%	0.336	C	S	.	.	S	Bend	trans	-64.7	153.5	173.1	-75.6	177.7	0	0	0	111.3	A94 P100 P101 V102 C147 R150 E153 Y154	A94-L98 WeakPolarHBondContact O-CG 3.34Å; A94-L98 PolarHBondContact O-N 3Å; L98-P100 VanDerWaalsContact C-C 3.48Å; L98-P100 CarbonylContact C-O 3.32Å; L98-P100 VanDerWaalsContact C-O 3.32Å; L98-P100 CarbonylContact O-C 3.44Å; L98-P101 VanDerWaalsContact O-CA 3.28Å; L98-P101 WeakPolarHBondContact O-CA 3.14Å; L98-V102 HydrophobicContact CD1-CG2 3.86Å; L98-C147 VanDerWaalsContact CD1-SG 3.59Å; L98-R150 HydrophobicContact CD1-CB 4.14Å; L98-E153 HydrophobicContact CD2-CB 3.62Å; L98-E153 HydrophobicContact CD2-CG 4.37Å; L98-E153 WeakPolarHBondContact CD2-OE2 3.09Å; L98-Y154 HydrophobicContact CD1-CE1 4.26Å; L98-Y154 HydrophobicContact CD2-CD1 3.92Å; L98-Y154 HydrophobicContact CD2-CE1 4.25Å
99	V	96.4	Very high	97.9	Very high	126 Å²	126	58.1 Å²	58.1	76%	0.764	34%	0.342	S	S	*	.	S	Bend	trans	-124.6	110.1	176.6	-177	0	0	0	0	109.3	R150	V99-R150 PolarHBondContact O-NH2 3.46Å; V99-R150 VanDerWaalsContact O-NH2 3.12Å
100	P	97.5	Very high	98	Very high	91 Å²	91	61 Å²	61	59%	0.591	36%	0.355	S	S	*	.	S	Bend	cis	-66.3	158.1	-7.5	31.1	-35.8	0	0	0	112	L98 R150	L98-P100 VanDerWaalsContact C-C 3.48Å; L98-P100 CarbonylContact C-O 3.32Å; L98-P100 VanDerWaalsContact C-O 3.32Å; L98-P100 CarbonylContact O-C 3.44Å; P100-R150 PolarHBondContact O-NH1 3.06Å; P100-R150 PolarHBondContact O-NH2 3.45Å
101	P	97.8	Very high	98	Very high	73 Å²	73	64.6 Å²	64.6	47%	0.474	37%	0.368	S	S	.	.			trans	-66.1	162	175.7	28.7	-35.3	0	0	0	111.1	M95 L98	M95-P101 WeakPolarHBondContact O-CA 3.25Å; L98-P101 VanDerWaalsContact O-CA 3.28Å; L98-P101 WeakPolarHBondContact O-CA 3.14Å
102	V	98.4	Very high	98	Very high	21 Å²	21	67.2 Å²	67.2	13%	0.127	38%	0.378	C	S	.	.			trans	-114.6	124.4	176.5	-175.7	0	0	0	0	108.5	M95 L98 G143 A146 C147	M95-V102 WeakPolarHBondContact CB-O 3.4Å; M95-V102 HydrophobicContact CE-CG1 4.32Å; M95-V102 WeakPolarHBondContact CE-O 3.25Å; M95-V102 PolarHBondContact O-N 3.17Å; L98-V102 HydrophobicContact CD1-CG2 3.86Å; V102-G143 WeakPolarHBondContact CG1-O 3.37Å; V102-A146 HydrophobicContact CG1-CB 4.18Å; V102-C147 HydrophobicContact CB-CB 4.38Å; V102-C147 HydrophobicContact CG1-CB 4.36Å
103	E	98.2	Very high	98	Very high	148 Å²	148	67.7 Å²	67.7	69%	0.692	38%	0.381	S	S	*	.			trans	-90.7	159.9	177.2	-60.6	-61.6	151.2	0	0	110.9	G143	E103-G143 WeakPolarHBondContact O-CA 3.38Å
104	L	98.6	Very high	98	Very high	22 Å²	22	70.6 Å²	70.6	12%	0.115	39%	0.392	C	S	.	.			trans	-62.3	141.6	169.8	-72.4	169.4	0	0	0	110.7	M95 N109 Q110 V113 L138 V144	M95-L104 HydrophobicContact CE-CD2 4.1Å; M95-L104 HydrophobicContact CE-CG 4.34Å; L104-N109 HydrophobicContact CD1-CB 4.12Å; L104-N109 HydrophobicContact CD2-CB 4.37Å; L104-Q110 HydrophobicContact CD1-CB 4.43Å; L104-V113 HydrophobicContact CD1-CG2 3.85Å; L104-V113 HydrophobicContact CD2-CG2 3.94Å; L104-V113 HydrophobicContact CG-CG2 4.25Å; L104-L138 HydrophobicContact CD2-CD2 4.09Å; L104-V144 HydrophobicContact CD2-CG2 3.94Å
105	A	98.4	Very high	98	Very high	62 Å²	62	72.3 Å²	72.3	51%	0.512	40%	0.397	S	S	.	.	S	Bend	trans	-70.3	-38.9	170.5	0	0	0	0	0	111.1	D141 E142	A105-D141 WeakPolarHBondContact CB-OD1 3.5Å; A105-D141 PolarHBondContact N-OD1 3.48Å; A105-E142 HydrophobicContact CB-CB 3.86Å
106	N	97.9	Very high	98	Very high	62 Å²	62	71.8 Å²	71.8	33%	0.332	40%	0.395	S	S	.	.	S	Bend	trans	-110.8	107.9	171.4	-175.8	3.4	0	0	0	111.3	E108 N109 D141	N106-E108 PolarHBondContact O-N 2.87Å; N106-E108 VanDerWaalsContact O-N 3.1Å; N106-E108 WeakPolarHBondContact OD1-CB 3.3Å; N106-E108 WeakPolarHBondContact OD1-CG 3.38Å; N106-E108 PolarHBondContact OD1-N 3.12Å; N106-N109 WeakPolarHBondContact O-CB 3.36Å; N106-N109 PolarHBondContact O-N 3.02Å; N106-D141 PolarHBondContact N-OD2 3.24Å; N106-D141 VanDerWaalsContact N-OD2 3.08Å
107	P	97.4	Very high	98	Very high	99 Å²	99	71 Å²	71	64%	0.643	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-58.3	-22.9	176.6	-25.1	34.6	0	0	0	114.6	N109 Q110	P107-N109 PolarHBondContact O-N 3.06Å; P107-Q110 WeakPolarHBondContact O-CB 3.42Å; P107-Q110 PolarHBondContact O-N 2.94Å; P107-Q110 VanDerWaalsContact O-N 3.09Å
108	E	97.9	Very high	98.1	Very high	149 Å²	149	69 Å²	69	70%	0.696	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-65	-16.1	175.1	-61.3	-177.2	166.9	0	0	112.6	N106 Q110 F111	N106-E108 PolarHBondContact O-N 2.87Å; N106-E108 VanDerWaalsContact O-N 3.1Å; N106-E108 WeakPolarHBondContact OD1-CB 3.3Å; N106-E108 WeakPolarHBondContact OD1-CG 3.38Å; N106-E108 PolarHBondContact OD1-N 3.12Å; E108-Q110 PolarHBondContact O-N 3.41Å; E108-F111 WeakPolarHBondContact O-CD1 3.43Å; E108-F111 VanDerWaalsContact O-CE1 3.24Å; E108-F111 WeakPolarHBondContact O-CE1 3.43Å
109	N	98.4	Very high	98.1	Very high	21 Å²	21	69 Å²	69	11%	0.112	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-78.5	-1.8	174	-75.2	-32.7	0	0	0	113.6	L104 N106 P107 F111 R112 V113 L138 D141	L104-N109 HydrophobicContact CD1-CB 4.12Å; L104-N109 HydrophobicContact CD2-CB 4.37Å; N106-N109 WeakPolarHBondContact O-CB 3.36Å; N106-N109 PolarHBondContact O-N 3.02Å; P107-N109 PolarHBondContact O-N 3.06Å; N109-F111 VanDerWaalsContact C-N 3.31Å; N109-F111 PolarHBondContact O-N 2.94Å; N109-R112 WeakPolarHBondContact O-CA 3.33Å; N109-R112 VanDerWaalsContact O-CB 3.27Å; N109-R112 WeakPolarHBondContact O-CB 3.28Å; N109-R112 PolarHBondContact O-N 3.48Å; N109-R112 WeakPolarHBondContact OD1-CD 3.42Å; N109-R112 PolarHBondContact OD1-NE 3.42Å; N109-V113 PolarHBondContact O-N 3.32Å; N109-L138 HydrophobicContact CB-CD2 4.07Å; N109-D141 PolarHBondContact ND2-OD2 3.47Å
110	Q	98.4	Very high	97.9	Very high	89 Å²	89	65.1 Å²	65.1	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-42.7	-176.3	-174.5	59.7	48.5	0	0	113	L104 P107 E108 R112 V113 D114	L104-Q110 HydrophobicContact CD1-CB 4.43Å; P107-Q110 WeakPolarHBondContact O-CB 3.42Å; P107-Q110 PolarHBondContact O-N 2.94Å; P107-Q110 VanDerWaalsContact O-N 3.09Å; E108-Q110 PolarHBondContact O-N 3.41Å; Q110-R112 PolarHBondContact O-N 3.42Å; Q110-R112 VanDerWaalsContact O-N 3.16Å; Q110-V113 WeakPolarHBondContact O-CB 3.29Å; Q110-V113 PolarHBondContact O-N 2.93Å; Q110-D114 PolarHBondContact NE2-OD1 3.09Å; Q110-D114 VanDerWaalsContact O-CG 3.26Å; Q110-D114 PolarHBondContact O-N 3.03Å
111	F	98.6	Very high	97.7	Very high	110 Å²	110	67.8 Å²	67.8	48%	0.482	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-26.5	178.7	78.7	-84.2	0	0	0	112.8	E108 N109 Y115 H134	E108-F111 WeakPolarHBondContact O-CD1 3.43Å; E108-F111 VanDerWaalsContact O-CE1 3.24Å; E108-F111 WeakPolarHBondContact O-CE1 3.43Å; N109-F111 VanDerWaalsContact C-N 3.31Å; N109-F111 PolarHBondContact O-N 2.94Å; F111-Y115 WeakPolarHBondContact O-CB 3.37Å; F111-Y115 PolarHBondContact O-N 2.6Å; F111-H134 AromaticContact CE2-CE1 3.61Å
112	R	98.8	Very high	97.5	Very high	56 Å²	56	67.5 Å²	67.5	21%	0.211	36%	0.359	C	S	.	.	H	α-helix	trans	-74.2	-40.7	175.6	-52	-176.9	180	-91.1	-10.1	110.5	N109 Q110 D114 Y115 I116 E133 H134 L138	N109-R112 WeakPolarHBondContact O-CA 3.33Å; N109-R112 VanDerWaalsContact O-CB 3.27Å; N109-R112 WeakPolarHBondContact O-CB 3.28Å; N109-R112 PolarHBondContact O-N 3.48Å; N109-R112 WeakPolarHBondContact OD1-CD 3.42Å; N109-R112 PolarHBondContact OD1-NE 3.42Å; Q110-R112 PolarHBondContact O-N 3.42Å; Q110-R112 VanDerWaalsContact O-N 3.16Å; R112-D114 VanDerWaalsContact C-N 3.34Å; R112-Y115 PolarHBondContact O-N 2.69Å; R112-I116 WeakPolarHBondContact O-CG1 3.4Å; R112-I116 PolarHBondContact O-N 3.26Å; R112-E133 PolarHBondContact NH1-O 3.35Å; R112-H134 HydrophobicContact CB-CB 4.23Å; R112-H134 PolarHBondContact NH1-ND1 3.37Å; R112-H134 VanDerWaalsContact NH1-ND1 3.14Å; R112-L138 HydrophobicContact CB-CD1 3.85Å; R112-L138 HydrophobicContact CB-CD2 4Å; R112-L138 HydrophobicContact CB-CG 3.81Å
113	V	98.6	Very high	97.1	Very high	14 Å²	14	71.5 Å²	71.5	9%	0.085	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-50.7	172	166.3	0	0	0	0	109.6	V92 L104 N109 Q110 Y115 I116 L117 L138	V92-V113 HydrophobicContact CG1-CB 4.14Å; V92-V113 HydrophobicContact CG1-CG1 3.63Å; V92-V113 HydrophobicContact CG1-CG2 3.99Å; L104-V113 HydrophobicContact CD1-CG2 3.85Å; L104-V113 HydrophobicContact CD2-CG2 3.94Å; L104-V113 HydrophobicContact CG-CG2 4.25Å; N109-V113 PolarHBondContact O-N 3.32Å; Q110-V113 WeakPolarHBondContact O-CB 3.29Å; Q110-V113 PolarHBondContact O-N 2.93Å; V113-Y115 VanDerWaalsContact C-N 3.3Å; V113-Y115 PolarHBondContact O-N 2.98Å; V113-I116 PolarHBondContact O-N 3.2Å; V113-L117 HydrophobicContact CG1-CD1 3.83Å; V113-L117 HydrophobicContact CG1-CG 4.34Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 3.15Å; V113-L138 HydrophobicContact CG2-CD1 4.46Å; V113-L138 HydrophobicContact CG2-CD2 3.66Å
114	D	98.4	Very high	96.7	Very high	88 Å²	88	71.8 Å²	71.8	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-58.5	-42.6	179.9	-59.7	-19.3	0	0	0	111.4	Q110 R112 S118	Q110-D114 PolarHBondContact NE2-OD1 3.09Å; Q110-D114 VanDerWaalsContact O-CG 3.26Å; Q110-D114 PolarHBondContact O-N 3.03Å; R112-D114 VanDerWaalsContact C-N 3.34Å; D114-S118 WeakPolarHBondContact O-CB 3.3Å; D114-S118 PolarHBondContact O-N 3.21Å
115	Y	98.7	Very high	96.5	Very high	45 Å²	45	72 Å²	72	18%	0.176	39%	0.392	C	S	.	.	H	α-helix	trans	-59.3	-53.3	174.1	174.1	-88.8	0	0	0	112.2	F111 R112 V113 L117 S118 V119 E130 F131 H134	F111-Y115 WeakPolarHBondContact O-CB 3.37Å; F111-Y115 PolarHBondContact O-N 2.6Å; R112-Y115 PolarHBondContact O-N 2.69Å; V113-Y115 VanDerWaalsContact C-N 3.3Å; V113-Y115 PolarHBondContact O-N 2.98Å; Y115-L117 VanDerWaalsContact C-N 3.29Å; Y115-L117 PolarHBondContact O-N 2.83Å; Y115-S118 PolarHBondContact O-N 3Å; Y115-S118 VanDerWaalsContact O-N 3.08Å; Y115-S118 PolarHBondContact O-OG 3.37Å; Y115-V119 HydrophobicContact CE1-CG1 4.41Å; Y115-V119 HydrophobicContact CE1-CG2 4.13Å; Y115-V119 HydrophobicContact CE2-CG1 4.21Å; Y115-V119 PolarHBondContact O-N 3.14Å; Y115-E130 HydrophobicContact CE2-CG 4.14Å; Y115-F131 HydrophobicContact CE1-CB 4.18Å; Y115-F131 HydrophobicContact CE1-CD2 4.34Å; Y115-H134 HydrophobicContact CD1-CB 4.11Å; Y115-H134 AromaticContact CD1-CD2 3.38Å; Y115-H134 WeakPolarHBondContact CD1-CD2 3.49Å; Y115-H134 AromaticContact CE1-CD2 3.69Å; Y115-H134 AromaticContact CG-CD2 3.57Å
116	I	98.5	Very high	96.3	Very high	2 Å²	2	76.3 Å²	76.3	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-41.3	-177.5	-69.8	-63.3	0	0	0	111	I88 E89 V92 R112 V113 V119 M120 F131 H134 A135 L138	I88-I116 HydrophobicContact CG2-CD1 4.36Å; I88-I116 HydrophobicContact CG2-CG2 4.48Å; E89-I116 HydrophobicContact CB-CG2 4.04Å; V92-I116 HydrophobicContact CB-CG2 4.43Å; V92-I116 HydrophobicContact CG2-CG2 4.48Å; R112-I116 WeakPolarHBondContact O-CG1 3.4Å; R112-I116 PolarHBondContact O-N 3.26Å; V113-I116 PolarHBondContact O-N 3.2Å; I116-V119 WeakPolarHBondContact O-CG2 3.14Å; I116-V119 PolarHBondContact O-N 2.94Å; I116-M120 PolarHBondContact O-N 2.8Å; I116-F131 HydrophobicContact CD1-CD2 3.93Å; I116-F131 HydrophobicContact CD1-CE2 3.94Å; I116-H134 HydrophobicContact CD1-CB 4.42Å; I116-A135 HydrophobicContact CD1-CB 4.46Å; I116-L138 HydrophobicContact CB-CD1 4.45Å; I116-L138 HydrophobicContact CG1-CD1 3.66Å
117	L	97.8	Very high	96.3	Very high	73 Å²	73	74 Å²	74	38%	0.382	39%	0.394	S	S	.	.	H	α-helix	trans	-67.4	-37.1	176.8	-64.6	179.2	0	0	0	112.1	V92 A93 V113 Y115 V119 M120	V92-L117 HydrophobicContact CG1-CD2 4.09Å; V92-L117 HydrophobicContact CG1-CG 4.16Å; A93-L117 HydrophobicContact CB-CD2 3.81Å; V113-L117 HydrophobicContact CG1-CD1 3.83Å; V113-L117 HydrophobicContact CG1-CG 4.34Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 3.15Å; Y115-L117 VanDerWaalsContact C-N 3.29Å; Y115-L117 PolarHBondContact O-N 2.83Å; L117-V119 VanDerWaalsContact C-N 3.29Å; L117-V119 PolarHBondContact O-N 3.33Å; L117-M120 HydrophobicContact CD2-CE 4.1Å; L117-M120 WeakPolarHBondContact O-CB 3.25Å; L117-M120 PolarHBondContact O-N 2.92Å
118	S	97.7	Very high	96.3	Very high	84 Å²	84	70.8 Å²	70.8	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-65	-30.9	178.7	78.6	0	0	0	0	113.5	D114 Y115	D114-S118 WeakPolarHBondContact O-CB 3.3Å; D114-S118 PolarHBondContact O-N 3.21Å; Y115-S118 PolarHBondContact O-N 3Å; Y115-S118 VanDerWaalsContact O-N 3.08Å; Y115-S118 PolarHBondContact O-OG 3.37Å
119	V	96.8	Very high	96.3	Very high	15 Å²	15	68.2 Å²	68.2	9%	0.091	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1	-177.6	-55.8	0	0	0	0	113.8	K85 Y115 I116 L117 N121 V122 F125	K85-V119 VanDerWaalsContact CE-O 3.27Å; K85-V119 WeakPolarHBondContact CE-O 3.45Å; K85-V119 PolarHBondContact NZ-O 3.19Å; Y115-V119 HydrophobicContact CE1-CG1 4.41Å; Y115-V119 HydrophobicContact CE1-CG2 4.13Å; Y115-V119 HydrophobicContact CE2-CG1 4.21Å; Y115-V119 PolarHBondContact O-N 3.14Å; I116-V119 WeakPolarHBondContact O-CG2 3.14Å; I116-V119 PolarHBondContact O-N 2.94Å; L117-V119 VanDerWaalsContact C-N 3.29Å; L117-V119 PolarHBondContact O-N 3.33Å; V119-N121 PolarHBondContact O-N 3.33Å; V119-V122 HydrophobicContact CB-CG2 4.35Å; V119-V122 PolarHBondContact O-N 3.01Å; V119-F125 HydrophobicContact CB-CD2 4.26Å; V119-F125 HydrophobicContact CB-CE2 3.65Å; V119-F125 HydrophobicContact CB-CZ 4.18Å; V119-F125 HydrophobicContact CG1-CE2 3.91Å; V119-F125 HydrophobicContact CG1-CZ 4.49Å; V119-F125 HydrophobicContact CG2-CE2 4.05Å; V119-F125 HydrophobicContact CG2-CZ 4.05Å
120	M	92.8	Very high	96.3	Very high	43 Å²	43	71.3 Å²	71.3	21%	0.212	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-48.9	-174.7	178.8	-178.7	-83.5	0	0	112.9	K85 E89 A93 I116 L117	K85-M120 PolarHBondContact NZ-O 3.45Å; E89-M120 HydrophobicContact CB-CE 3.62Å; E89-M120 HydrophobicContact CB-CG 4.29Å; E89-M120 HydrophobicContact CG-CE 3.84Å; E89-M120 HydrophobicContact CG-CG 4.14Å; E89-M120 VanDerWaalsContact O-CE 3.22Å; E89-M120 WeakPolarHBondContact O-CE 3.34Å; E89-M120 WeakPolarHBondContact OE2-CA 3.22Å; A93-M120 HydrophobicContact CB-CE 3.58Å; I116-M120 PolarHBondContact O-N 2.8Å; L117-M120 HydrophobicContact CD2-CE 4.1Å; L117-M120 WeakPolarHBondContact O-CB 3.25Å; L117-M120 PolarHBondContact O-N 2.92Å
121	N	92.7	Very high	96.3	Very high	147 Å²	147	67.1 Å²	67.1	79%	0.786	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	18.3	-174.7	-64.5	-57.8	0	0	0	113.9	V119 P123	V119-N121 PolarHBondContact O-N 3.33Å; N121-P123 WeakPolarHBondContact O-CD 2.98Å
122	V	94.3	Very high	96.3	Very high	67 Å²	67	62.3 Å²	62.3	41%	0.406	34%	0.342	S	S	.	.			trans	-74.1	116.7	178.9	176.5	0	0	0	0	109.5	V119 F125	V119-V122 HydrophobicContact CB-CG2 4.35Å; V119-V122 PolarHBondContact O-N 3.01Å; V122-F125 HydrophobicContact CB-CD2 4.26Å; V122-F125 HydrophobicContact CG1-CD2 4.2Å
123	P	90.6	Very high	96.3	Very high	106 Å²	106	63.8 Å²	63.8	69%	0.688	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	144.6	175.7	30.2	-33.9	0	0	0	109.8	N121 F125	N121-P123 WeakPolarHBondContact O-CD 2.98Å; P123-F125 VanDerWaalsContact C-N 3.28Å; P123-F125 PolarHBondContact O-N 3.48Å
124	N	89.6	Confident	96.3	Very high	154 Å²	154	64.4 Å²	64.4	82%	0.824	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	46.7	179.6	-54.2	-37.6	0	0	0	112.9	D126	N124-D126 PolarHBondContact O-N 3.5Å
125	F	94.8	Very high	96.3	Very high	26 Å²	26	60.2 Å²	60.2	11%	0.114	33%	0.331	C	S	.	.			trans	-55	130.8	178.4	-173.8	-114.3	0	0	0	111.4	K85 V119 V122 P123 F127 P128 F131	K85-F125 HydrophobicContact CD-CB 4.37Å; K85-F125 HydrophobicContact CD-CD1 3.75Å; K85-F125 HydrophobicContact CD-CE1 4.29Å; K85-F125 HydrophobicContact CD-CG 4.2Å; V119-F125 HydrophobicContact CB-CD2 4.26Å; V119-F125 HydrophobicContact CB-CE2 3.65Å; V119-F125 HydrophobicContact CB-CZ 4.18Å; V119-F125 HydrophobicContact CG1-CE2 3.91Å; V119-F125 HydrophobicContact CG1-CZ 4.49Å; V119-F125 HydrophobicContact CG2-CE2 4.05Å; V119-F125 HydrophobicContact CG2-CZ 4.05Å; V122-F125 HydrophobicContact CB-CD2 4.26Å; V122-F125 HydrophobicContact CG1-CD2 4.2Å; P123-F125 VanDerWaalsContact C-N 3.28Å; P123-F125 PolarHBondContact O-N 3.48Å; F125-F127 VanDerWaalsContact C-N 3.29Å; F125-F127 HydrophobicContact CB-CE2 4.24Å; F125-F127 HydrophobicContact CD1-CB 4.43Å; F125-F127 AromaticContact CD1-CD1 3.83Å; F125-F127 HydrophobicContact CD1-CD1 3.83Å; F125-F127 AromaticContact CD1-CD2 3.93Å; F125-F127 HydrophobicContact CD1-CD2 3.93Å; F125-F127 AromaticContact CD1-CE1 3.93Å; F125-F127 HydrophobicContact CD1-CE1 3.93Å; F125-F127 AromaticContact CD1-CE2 3.96Å; F125-F127 HydrophobicContact CD1-CE2 3.96Å; F125-F127 AromaticContact CD1-CG 3.82Å; F125-F127 HydrophobicContact CD1-CG 3.82Å; F125-F127 AromaticContact CD1-CZ 3.99Å; F125-F127 HydrophobicContact CD1-CZ 3.99Å; F125-F127 HydrophobicContact CE1-CB 4.49Å; F125-F127 HydrophobicContact CE1-CD1 4.04Å; F125-F127 HydrophobicContact CE1-CE1 4.42Å; F125-F127 HydrophobicContact CE1-CG 4.21Å; F125-F127 WeakPolarHBondContact O-CD2 3.13Å; F125-F127 WeakPolarHBondContact O-CE2 3.41Å; F125-F127 PolarHBondContact O-N 3.36Å; F125-P128 HydrophobicContact CZ-CG 4.35Å; F125-F131 HydrophobicContact CE1-CB 3.94Å; F125-F131 HydrophobicContact CE1-CD1 4.1Å; F125-F131 AromaticContact CE1-CD2 3.62Å; F125-F131 HydrophobicContact CE1-CD2 3.62Å; F125-F131 HydrophobicContact CE1-CE2 4.17Å; F125-F131 AromaticContact CE1-CG 3.59Å; F125-F131 HydrophobicContact CE1-CG 3.59Å; F125-F131 HydrophobicContact CZ-CB 3.89Å; F125-F131 AromaticContact CZ-CD2 3.85Å; F125-F131 HydrophobicContact CZ-CD2 3.85Å; F125-F131 AromaticContact CZ-CG 3.94Å; F125-F131 HydrophobicContact CZ-CG 3.94Å
126	D	94.4	Very high	96.3	Very high	152 Å²	152	60.7 Å²	60.7	81%	0.813	33%	0.334	S	S	*	.			trans	-80.6	-6.1	-172.2	-67.6	-44.6	0	0	0	114.2	N124	N124-D126 PolarHBondContact O-N 3.5Å
127	F	97.1	Very high	96.3	Very high	14 Å²	14	61.7 Å²	61.7	6%	0.061	34%	0.342	C	S	.	.			trans	51.2	62	-177.2	-63.4	-92	0	0	0	113.6	K81 N82 K85 F125 F131 Y132	K81-F127 HydrophobicContact CB-CD1 3.92Å; K81-F127 HydrophobicContact CB-CD2 4.36Å; K81-F127 HydrophobicContact CB-CE1 3.62Å; K81-F127 HydrophobicContact CB-CE2 4.16Å; K81-F127 HydrophobicContact CB-CG 4.28Å; K81-F127 HydrophobicContact CB-CZ 3.76Å; K81-F127 HydrophobicContact CD-CB 4.45Å; K81-F127 HydrophobicContact CD-CD1 4.42Å; K81-F127 HydrophobicContact CD-CD2 4.34Å; K81-F127 HydrophobicContact CD-CG 4.14Å; K81-F127 HydrophobicContact CG-CD1 4.45Å; K81-F127 VanDerWaalsContact O-CE1 3.25Å; K81-F127 WeakPolarHBondContact O-CE1 3.34Å; N82-F127 WeakPolarHBondContact OD1-CZ 3.33Å; K85-F127 HydrophobicContact CB-CE1 3.91Å; K85-F127 HydrophobicContact CB-CZ 4.33Å; K85-F127 HydrophobicContact CD-CE1 4.16Å; K85-F127 HydrophobicContact CD-CZ 4.12Å; F125-F127 VanDerWaalsContact C-N 3.29Å; F125-F127 HydrophobicContact CB-CE2 4.24Å; F125-F127 HydrophobicContact CD1-CB 4.43Å; F125-F127 AromaticContact CD1-CD1 3.83Å; F125-F127 HydrophobicContact CD1-CD1 3.83Å; F125-F127 AromaticContact CD1-CD2 3.93Å; F125-F127 HydrophobicContact CD1-CD2 3.93Å; F125-F127 AromaticContact CD1-CE1 3.93Å; F125-F127 HydrophobicContact CD1-CE1 3.93Å; F125-F127 AromaticContact CD1-CE2 3.96Å; F125-F127 HydrophobicContact CD1-CE2 3.96Å; F125-F127 AromaticContact CD1-CG 3.82Å; F125-F127 HydrophobicContact CD1-CG 3.82Å; F125-F127 AromaticContact CD1-CZ 3.99Å; F125-F127 HydrophobicContact CD1-CZ 3.99Å; F125-F127 HydrophobicContact CE1-CB 4.49Å; F125-F127 HydrophobicContact CE1-CD1 4.04Å; F125-F127 HydrophobicContact CE1-CE1 4.42Å; F125-F127 HydrophobicContact CE1-CG 4.21Å; F125-F127 WeakPolarHBondContact O-CD2 3.13Å; F125-F127 WeakPolarHBondContact O-CE2 3.41Å; F125-F127 PolarHBondContact O-N 3.36Å; F127-F131 AromaticContact CD1-CD1 3.96Å; F127-F131 HydrophobicContact CD1-CD1 3.96Å; F127-F131 AromaticContact CD1-CE1 3.75Å; F127-F131 HydrophobicContact CD1-CE1 3.75Å; F127-F131 HydrophobicContact CD1-CZ 4.47Å; F127-F131 HydrophobicContact CE1-CE1 4.1Å; F127-F131 HydrophobicContact CE1-CZ 4.43Å; F127-Y132 HydrophobicContact CB-CE2 4.13Å; F127-Y132 WeakPolarHBondContact CB-OH 3.43Å; F127-Y132 WeakPolarHBondContact O-CE2 3.34Å
128	P	97.8	Very high	96.4	Very high	31 Å²	31	58.2 Å²	58.2	20%	0.201	32%	0.324	C	S	.	.			trans	-72.1	161.1	-179.2	36.7	-39.9	0	0	0	111.4	F125 E130 F131	F125-P128 HydrophobicContact CZ-CG 4.35Å; P128-E130 VanDerWaalsContact C-N 3.26Å; P128-E130 VanDerWaalsContact CB-CD 3.45Å; P128-E130 VanDerWaalsContact CB-OE1 3.23Å; P128-E130 WeakPolarHBondContact CB-OE1 3.4Å; P128-E130 WeakPolarHBondContact CB-OE2 3.4Å; P128-E130 VanDerWaalsContact CG-CD 3.48Å; P128-E130 HydrophobicContact CG-CG 4.12Å; P128-E130 WeakPolarHBondContact CG-OE1 3.47Å; P128-E130 PolarHBondContact O-N 2.84Å; P128-F131 HydrophobicContact CG-CB 4.37Å; P128-F131 WeakPolarHBondContact O-CB 3.4Å; P128-F131 PolarHBondContact O-N 3.24Å
129	P	98.1	Very high	96.4	Very high	96 Å²	96	54.9 Å²	54.9	62%	0.623	30%	0.299	S	S	*	.	H	α-helix	trans	-52.8	-40.4	-175.3	-28.1	36.3	0	0	0	114.1	F131 Y132 E133	P129-F131 PolarHBondContact O-N 3.26Å; P129-Y132 PolarHBondContact O-N 2.78Å; P129-Y132 VanDerWaalsContact O-N 3.14Å; P129-E133 PolarHBondContact O-N 3.31Å
130	E	97.9	Very high	96.5	Very high	86 Å²	86	60 Å²	60	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-30.4	179.8	63.3	-86.1	-164.7	0	0	113.2	Y115 P128 Y132 E133 H134	Y115-E130 HydrophobicContact CE2-CG 4.14Å; P128-E130 VanDerWaalsContact C-N 3.26Å; P128-E130 VanDerWaalsContact CB-CD 3.45Å; P128-E130 VanDerWaalsContact CB-OE1 3.23Å; P128-E130 WeakPolarHBondContact CB-OE1 3.4Å; P128-E130 WeakPolarHBondContact CB-OE2 3.4Å; P128-E130 VanDerWaalsContact CG-CD 3.48Å; P128-E130 HydrophobicContact CG-CG 4.12Å; P128-E130 WeakPolarHBondContact CG-OE1 3.47Å; P128-E130 PolarHBondContact O-N 2.84Å; E130-Y132 PolarHBondContact O-N 2.73Å; E130-E133 PolarHBondContact O-N 3.14Å; E130-H134 WeakPolarHBondContact O-CB 3.32Å; E130-H134 PolarHBondContact O-CD2 3.2Å; E130-H134 PolarHBondContact O-N 3.14Å
131	F	98.7	Very high	96.8	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-45.8	176.4	163.9	-97.5	0	0	0	111.3	L84 K85 I88 Y115 I116 F125 F127 P128 P129 H134 A135	L84-F131 HydrophobicContact CD2-CE1 3.58Å; L84-F131 HydrophobicContact CD2-CZ 3.67Å; K85-F131 HydrophobicContact CB-CE2 4.24Å; K85-F131 HydrophobicContact CB-CZ 3.74Å; K85-F131 HydrophobicContact CG-CE2 4Å; K85-F131 HydrophobicContact CG-CZ 4.03Å; I88-F131 HydrophobicContact CG2-CE2 4.27Å; I88-F131 HydrophobicContact CG2-CZ 4.3Å; Y115-F131 HydrophobicContact CE1-CB 4.18Å; Y115-F131 HydrophobicContact CE1-CD2 4.34Å; I116-F131 HydrophobicContact CD1-CD2 3.93Å; I116-F131 HydrophobicContact CD1-CE2 3.94Å; F125-F131 HydrophobicContact CE1-CB 3.94Å; F125-F131 HydrophobicContact CE1-CD1 4.1Å; F125-F131 AromaticContact CE1-CD2 3.62Å; F125-F131 HydrophobicContact CE1-CD2 3.62Å; F125-F131 HydrophobicContact CE1-CE2 4.17Å; F125-F131 AromaticContact CE1-CG 3.59Å; F125-F131 HydrophobicContact CE1-CG 3.59Å; F125-F131 HydrophobicContact CZ-CB 3.89Å; F125-F131 AromaticContact CZ-CD2 3.85Å; F125-F131 HydrophobicContact CZ-CD2 3.85Å; F125-F131 AromaticContact CZ-CG 3.94Å; F125-F131 HydrophobicContact CZ-CG 3.94Å; F127-F131 AromaticContact CD1-CD1 3.96Å; F127-F131 HydrophobicContact CD1-CD1 3.96Å; F127-F131 AromaticContact CD1-CE1 3.75Å; F127-F131 HydrophobicContact CD1-CE1 3.75Å; F127-F131 HydrophobicContact CD1-CZ 4.47Å; F127-F131 HydrophobicContact CE1-CE1 4.1Å; F127-F131 HydrophobicContact CE1-CZ 4.43Å; P128-F131 HydrophobicContact CG-CB 4.37Å; P128-F131 WeakPolarHBondContact O-CB 3.4Å; P128-F131 PolarHBondContact O-N 3.24Å; P129-F131 PolarHBondContact O-N 3.26Å; F131-H134 PolarHBondContact O-N 2.6Å; F131-A135 VanDerWaalsContact O-CB 3.25Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.29Å
132	Y	98.7	Very high	97.1	Very high	8 Å²	8	58 Å²	58	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-38.7	179.7	-59.5	-78.3	0	0	0	111.5	K81 F127 P129 E130 K136 I167 I170 K171	K81-Y132 WeakPolarHBondContact CD-OH 3.39Å; K81-Y132 WeakPolarHBondContact CE-OH 3.43Å; F127-Y132 HydrophobicContact CB-CE2 4.13Å; F127-Y132 WeakPolarHBondContact CB-OH 3.43Å; F127-Y132 WeakPolarHBondContact O-CE2 3.34Å; P129-Y132 PolarHBondContact O-N 2.78Å; P129-Y132 VanDerWaalsContact O-N 3.14Å; E130-Y132 PolarHBondContact O-N 2.73Å; Y132-K136 VanDerWaalsContact O-CB 3.22Å; Y132-K136 WeakPolarHBondContact O-CB 3.22Å; Y132-K136 PolarHBondContact O-N 3.38Å; Y132-I167 HydrophobicContact CD1-CG2 4.11Å; Y132-I167 HydrophobicContact CG-CG2 4.47Å; Y132-I170 HydrophobicContact CE1-CG2 4.43Å; Y132-K171 HydrophobicContact CD1-CB 3.69Å; Y132-K171 HydrophobicContact CD2-CB 3.76Å; Y132-K171 HydrophobicContact CE1-CB 4.04Å; Y132-K171 HydrophobicContact CE2-CB 4.1Å; Y132-K171 HydrophobicContact CG-CB 3.52Å
133	E	98.6	Very high	97.3	Very high	87 Å²	87	55.2 Å²	55.2	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-37	177.8	-61.5	-56.6	132.6	0	0	112.3	R112 P129 E130 A137 K171	R112-E133 PolarHBondContact NH1-O 3.35Å; P129-E133 PolarHBondContact O-N 3.31Å; E130-E133 PolarHBondContact O-N 3.14Å; E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 3.06Å; E133-K171 IonicContact OE1-NZ 2.77Å; E133-K171 PolarHBondContact OE1-NZ 3.47Å
134	H	98.8	Very high	97.7	Very high	28 Å²	28	50.1 Å²	50.1	13%	0.13	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-47.6	173.2	-66.3	-34.5	0	0	0	111.8	F111 R112 Y115 I116 E130 F131 K136 A137 L138	F111-H134 AromaticContact CE2-CE1 3.61Å; R112-H134 HydrophobicContact CB-CB 4.23Å; R112-H134 PolarHBondContact NH1-ND1 3.37Å; R112-H134 VanDerWaalsContact NH1-ND1 3.14Å; Y115-H134 HydrophobicContact CD1-CB 4.11Å; Y115-H134 AromaticContact CD1-CD2 3.38Å; Y115-H134 WeakPolarHBondContact CD1-CD2 3.49Å; Y115-H134 AromaticContact CE1-CD2 3.69Å; Y115-H134 AromaticContact CG-CD2 3.57Å; I116-H134 HydrophobicContact CD1-CB 4.42Å; E130-H134 WeakPolarHBondContact O-CB 3.32Å; E130-H134 PolarHBondContact O-CD2 3.2Å; E130-H134 PolarHBondContact O-N 3.14Å; F131-H134 PolarHBondContact O-N 2.6Å; H134-K136 VanDerWaalsContact C-N 3.33Å; H134-K136 PolarHBondContact O-N 3.34Å; H134-A137 PolarHBondContact O-N 3.39Å; H134-L138 WeakPolarHBondContact O-CB 3.38Å; H134-L138 WeakPolarHBondContact O-CG 3.23Å; H134-L138 PolarHBondContact O-N 3.29Å
135	A	98.8	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-41.8	179.5	0	0	0	0	0	112.1	I88 I116 F131 W139 I167	I88-A135 HydrophobicContact CB-CB 4.39Å; I88-A135 HydrophobicContact CG1-CB 4.06Å; I88-A135 HydrophobicContact CG2-CB 4.12Å; I116-A135 HydrophobicContact CD1-CB 4.46Å; F131-A135 VanDerWaalsContact O-CB 3.25Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.29Å; A135-W139 WeakPolarHBondContact O-CB 3.41Å; A135-W139 PolarHBondContact O-N 3.28Å; A135-I167 HydrophobicContact CB-CD1 4.29Å
136	K	98.8	Very high	98.3	Very high	54 Å²	54	46.6 Å²	46.6	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-50.6	178.2	-177.4	178.6	173.1	-179	0	112	Y132 H134 L138 W139 E140 I167 D168	Y132-K136 VanDerWaalsContact O-CB 3.22Å; Y132-K136 WeakPolarHBondContact O-CB 3.22Å; Y132-K136 PolarHBondContact O-N 3.38Å; H134-K136 VanDerWaalsContact C-N 3.33Å; H134-K136 PolarHBondContact O-N 3.34Å; K136-L138 PolarHBondContact O-N 3.48Å; K136-W139 WeakPolarHBondContact O-CB 3.38Å; K136-W139 PolarHBondContact O-N 2.81Å; K136-E140 WeakPolarHBondContact CE-OE1 3.29Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.3Å; K136-I167 HydrophobicContact CB-CB 4.49Å; K136-I167 HydrophobicContact CB-CD1 3.93Å; K136-I167 HydrophobicContact CB-CG2 4.11Å; K136-D168 IonicContact NZ-OD1 3.39Å; K136-D168 PolarHBondContact NZ-OD1 3.39Å; K136-D168 IonicContact NZ-OD2 2.66Å; K136-D168 PolarHBondContact NZ-OD2 3.31Å
137	A	98.7	Very high	98.5	Very high	23 Å²	23	39.3 Å²	39.3	19%	0.19	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-34.4	179.9	0	0	0	0	0	112.4	E133 H134 D141	E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 3.06Å; H134-A137 PolarHBondContact O-N 3.39Å; A137-D141 PolarHBondContact O-N 2.8Å
138	L	98.8	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.2	-40.5	172.3	-73.9	171.2	0	0	0	112	I88 V92 L104 N109 R112 V113 I116 H134 K136 E140 D141 V144	I88-L138 HydrophobicContact CD1-CB 4.19Å; V92-L138 HydrophobicContact CG2-CD1 4.15Å; L104-L138 HydrophobicContact CD2-CD2 4.09Å; N109-L138 HydrophobicContact CB-CD2 4.07Å; R112-L138 HydrophobicContact CB-CD1 3.85Å; R112-L138 HydrophobicContact CB-CD2 4Å; R112-L138 HydrophobicContact CB-CG 3.81Å; V113-L138 HydrophobicContact CG2-CD1 4.46Å; V113-L138 HydrophobicContact CG2-CD2 3.66Å; I116-L138 HydrophobicContact CB-CD1 4.45Å; I116-L138 HydrophobicContact CG1-CD1 3.66Å; H134-L138 WeakPolarHBondContact O-CB 3.38Å; H134-L138 WeakPolarHBondContact O-CG 3.23Å; H134-L138 PolarHBondContact O-N 3.29Å; K136-L138 PolarHBondContact O-N 3.48Å; L138-E140 PolarHBondContact O-N 3.47Å; L138-D141 VanDerWaalsContact O-CB 3.26Å; L138-D141 WeakPolarHBondContact O-CB 3.41Å; L138-D141 PolarHBondContact O-N 2.98Å; L138-V144 HydrophobicContact CB-CG2 4.38Å; L138-V144 HydrophobicContact CD2-CG2 4.35Å; L138-V144 WeakPolarHBondContact O-CB 3.22Å; L138-V144 WeakPolarHBondContact O-CG1 3.47Å; L138-V144 VanDerWaalsContact O-CG2 3.26Å; L138-V144 WeakPolarHBondContact O-CG2 3.31Å
139	W	98.8	Very high	98.5	Very high	14 Å²	14	42.6 Å²	42.6	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-32.3	177.7	-176.4	-126.4	0	0	0	112.8	I91 A135 K136 D141 V144 R145 Y148 Q161 L164 D165	I91-W139 HydrophobicContact CD1-CZ3 3.83Å; A135-W139 WeakPolarHBondContact O-CB 3.41Å; A135-W139 PolarHBondContact O-N 3.28Å; K136-W139 WeakPolarHBondContact O-CB 3.38Å; K136-W139 PolarHBondContact O-N 2.81Å; W139-D141 VanDerWaalsContact C-N 3.29Å; W139-V144 HydrophobicContact CE3-CG1 4.41Å; W139-R145 WeakPolarHBondContact O-CD 3.43Å; W139-R145 VanDerWaalsContact O-CG 3.29Å; W139-R145 WeakPolarHBondContact O-CG 3.42Å; W139-Y148 AromaticContact CH2-CD1 3.93Å; W139-Y148 HydrophobicContact CH2-CD1 3.93Å; W139-Y148 AromaticContact CH2-CD2 3.76Å; W139-Y148 HydrophobicContact CH2-CD2 3.76Å; W139-Y148 HydrophobicContact CH2-CE1 4.27Å; W139-Y148 HydrophobicContact CH2-CE2 4.12Å; W139-Y148 AromaticContact CH2-CG 3.66Å; W139-Y148 HydrophobicContact CH2-CG 3.66Å; W139-Y148 HydrophobicContact CZ3-CD1 4.41Å; W139-Y148 HydrophobicContact CZ3-CD2 4.04Å; W139-Y148 AromaticContact CZ3-CG 3.82Å; W139-Y148 HydrophobicContact CZ3-CG 3.82Å; W139-Q161 HydrophobicContact CH2-CB 4.31Å; W139-Q161 HydrophobicContact CZ2-CB 4.04Å; W139-Q161 HydrophobicContact CZ2-CG 4.07Å; W139-L164 HydrophobicContact CD2-CB 3.7Å; W139-L164 HydrophobicContact CD2-CD1 3.81Å; W139-L164 HydrophobicContact CD2-CG 4.31Å; W139-L164 VanDerWaalsContact CE2-CB 3.44Å; W139-L164 HydrophobicContact CE3-CB 4.39Å; W139-L164 HydrophobicContact CE3-CD1 3.61Å; W139-L164 HydrophobicContact CG-CB 3.83Å; W139-L164 HydrophobicContact CH2-CB 4.47Å; W139-L164 HydrophobicContact CH2-CD1 3.78Å; W139-L164 HydrophobicContact CZ2-CB 3.83Å; W139-L164 HydrophobicContact CZ2-CD1 4.01Å; W139-L164 HydrophobicContact CZ3-CD1 3.63Å; W139-D165 PolarHBondContact NE1-OD1 3.16Å
140	E	98.6	Very high	98.5	Very high	124 Å²	124	40.4 Å²	40.4	58%	0.579	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-7	175.4	-67.1	170.3	175.9	0	0	113.4	K136 L138	K136-E140 WeakPolarHBondContact CE-OE1 3.29Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.3Å; L138-E140 PolarHBondContact O-N 3.47Å
141	D	98.8	Very high	98.5	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	19%	0.185	C	C	.	.			trans	-77.1	124.7	176.4	-171.7	-71.7	0	0	0	110.9	A105 N106 N109 A137 L138 W139 G143 V144 R145	A105-D141 WeakPolarHBondContact CB-OD1 3.5Å; A105-D141 PolarHBondContact N-OD1 3.48Å; N106-D141 PolarHBondContact N-OD2 3.24Å; N106-D141 VanDerWaalsContact N-OD2 3.08Å; N109-D141 PolarHBondContact ND2-OD2 3.47Å; A137-D141 PolarHBondContact O-N 2.8Å; L138-D141 VanDerWaalsContact O-CB 3.26Å; L138-D141 WeakPolarHBondContact O-CB 3.41Å; L138-D141 PolarHBondContact O-N 2.98Å; W139-D141 VanDerWaalsContact C-N 3.29Å; D141-G143 PolarHBondContact O-N 3.16Å; D141-G143 WeakPolarHBondContact OD1-CA 3.47Å; D141-G143 PolarHBondContact OD1-N 3.34Å; D141-V144 HydrophobicContact CB-CB 4.25Å; D141-V144 HydrophobicContact CB-CG2 3.94Å; D141-V144 WeakPolarHBondContact O-CB 3.43Å; D141-V144 PolarHBondContact O-N 2.76Å; D141-V144 PolarHBondContact OD1-N 2.98Å; D141-R145 WeakPolarHBondContact O-CG 3.18Å; D141-R145 PolarHBondContact O-N 3.21Å
142	E	98.6	Very high	98.4	Very high	141 Å²	141	39.1 Å²	39.1	66%	0.659	19%	0.193	S	C	*	.	H	α-helix	trans	-60.4	-27.8	-178	-69.6	-63	145.5	0	0	113.4	A105 A146	A105-E142 HydrophobicContact CB-CB 3.86Å; E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.45Å; E142-A146 PolarHBondContact O-N 2.93Å
143	G	98.5	Very high	98.3	Very high	7 Å²	7	43 Å²	43	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-42.3	173.4	0	0	0	0	0	111.9	V102 E103 D141 A146 C147	V102-G143 WeakPolarHBondContact CG1-O 3.37Å; E103-G143 WeakPolarHBondContact O-CA 3.38Å; D141-G143 PolarHBondContact O-N 3.16Å; D141-G143 WeakPolarHBondContact OD1-CA 3.47Å; D141-G143 PolarHBondContact OD1-N 3.34Å; G143-A146 PolarHBondContact O-N 2.9Å; G143-C147 PolarHBondContact O-N 3.5Å
144	V	98.8	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-40.9	174.8	177.7	0	0	0	0	110.7	I88 I91 M95 L104 L138 W139 D141 C147 Y148	I88-V144 HydrophobicContact CD1-CG1 4.5Å; I91-V144 HydrophobicContact CG2-CG1 3.79Å; M95-V144 HydrophobicContact CE-CG2 4.23Å; M95-V144 HydrophobicContact SD-CG2 3.83Å; L104-V144 HydrophobicContact CD2-CG2 3.94Å; L138-V144 HydrophobicContact CB-CG2 4.38Å; L138-V144 HydrophobicContact CD2-CG2 4.35Å; L138-V144 WeakPolarHBondContact O-CB 3.22Å; L138-V144 WeakPolarHBondContact O-CG1 3.47Å; L138-V144 VanDerWaalsContact O-CG2 3.26Å; L138-V144 WeakPolarHBondContact O-CG2 3.31Å; W139-V144 HydrophobicContact CE3-CG1 4.41Å; D141-V144 HydrophobicContact CB-CB 4.25Å; D141-V144 HydrophobicContact CB-CG2 3.94Å; D141-V144 WeakPolarHBondContact O-CB 3.43Å; D141-V144 PolarHBondContact O-N 2.76Å; D141-V144 PolarHBondContact OD1-N 2.98Å; V144-C147 WeakPolarHBondContact O-CB 3.46Å; V144-C147 PolarHBondContact O-N 3.05Å; V144-Y148 PolarHBondContact O-N 2.9Å
145	R	98.4	Very high	98.2	Very high	59 Å²	59	40.2 Å²	40.2	22%	0.223	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-42.2	173.4	-65.2	-68.3	-69.3	153.2	-2.1	111.5	W139 D141 C147 Y148 E149	W139-R145 WeakPolarHBondContact O-CD 3.43Å; W139-R145 VanDerWaalsContact O-CG 3.29Å; W139-R145 WeakPolarHBondContact O-CG 3.42Å; D141-R145 WeakPolarHBondContact O-CG 3.18Å; D141-R145 PolarHBondContact O-N 3.21Å; R145-C147 VanDerWaalsContact C-N 3.32Å; R145-C147 PolarHBondContact O-N 2.86Å; R145-Y148 WeakPolarHBondContact O-CB 3.4Å; R145-Y148 PolarHBondContact O-N 3.43Å; R145-E149 WeakPolarHBondContact O-CG 3.41Å; R145-E149 PolarHBondContact O-N 2.92Å
146	A	98.3	Very high	98.1	Very high	46 Å²	46	40.5 Å²	40.5	38%	0.38	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-37.1	174.7	0	0	0	0	0	112.7	V102 E142 G143	V102-A146 HydrophobicContact CG1-CB 4.18Å; E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.45Å; E142-A146 PolarHBondContact O-N 2.93Å; G143-A146 PolarHBondContact O-N 2.9Å
147	C	98.6	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-44.3	172.3	-173	0	0	0	0	111.6	I91 M95 L98 V102 G143 V144 R145 E149 R150 S151 Y154	I91-C147 HydrophobicContact CG2-CB 4.08Å; I91-C147 PolarHBondContact O-SG 2.73Å; I91-C147 VanDerWaalsContact O-SG 3.39Å; M95-C147 HydrophobicContact CG-CB 3.75Å; L98-C147 VanDerWaalsContact CD1-SG 3.59Å; V102-C147 HydrophobicContact CB-CB 4.38Å; V102-C147 HydrophobicContact CG1-CB 4.36Å; G143-C147 PolarHBondContact O-N 3.5Å; V144-C147 WeakPolarHBondContact O-CB 3.46Å; V144-C147 PolarHBondContact O-N 3.05Å; R145-C147 VanDerWaalsContact C-N 3.32Å; R145-C147 PolarHBondContact O-N 2.86Å; C147-E149 VanDerWaalsContact C-N 3.31Å; C147-E149 PolarHBondContact O-N 3.03Å; C147-R150 CarbonylContact O-C 3.28Å; C147-R150 WeakPolarHBondContact O-CA 3.32Å; C147-R150 WeakPolarHBondContact O-CB 3.23Å; C147-R150 PolarHBondContact O-N 2.66Å; C147-S151 PolarHBondContact O-N 2.9Å; C147-Y154 PolarHBondContact O-OH 2.93Å
148	Y	98.4	Very high	97.7	Very high	33 Å²	33	39.9 Å²	39.9	13%	0.129	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-40.3	176.5	169.3	-100.5	0	0	0	113.1	I91 W139 V144 R145 R150 S151 L156 A160 Q161	I91-Y148 HydrophobicContact CD1-CD2 3.92Å; W139-Y148 AromaticContact CH2-CD1 3.93Å; W139-Y148 HydrophobicContact CH2-CD1 3.93Å; W139-Y148 AromaticContact CH2-CD2 3.76Å; W139-Y148 HydrophobicContact CH2-CD2 3.76Å; W139-Y148 HydrophobicContact CH2-CE1 4.27Å; W139-Y148 HydrophobicContact CH2-CE2 4.12Å; W139-Y148 AromaticContact CH2-CG 3.66Å; W139-Y148 HydrophobicContact CH2-CG 3.66Å; W139-Y148 HydrophobicContact CZ3-CD1 4.41Å; W139-Y148 HydrophobicContact CZ3-CD2 4.04Å; W139-Y148 AromaticContact CZ3-CG 3.82Å; W139-Y148 HydrophobicContact CZ3-CG 3.82Å; V144-Y148 PolarHBondContact O-N 2.9Å; R145-Y148 WeakPolarHBondContact O-CB 3.4Å; R145-Y148 PolarHBondContact O-N 3.43Å; Y148-R150 PolarHBondContact O-N 2.69Å; Y148-R150 VanDerWaalsContact O-N 3.16Å; Y148-S151 WeakPolarHBondContact O-CB 3.23Å; Y148-S151 PolarHBondContact O-N 3.23Å; Y148-S151 PolarHBondContact O-OG 3.07Å; Y148-L156 HydrophobicContact CD2-CD2 3.55Å; Y148-L156 HydrophobicContact CE2-CD2 3.66Å; Y148-A160 HydrophobicContact CE2-CB 4.31Å; Y148-Q161 HydrophobicContact CE1-CB 4.36Å; Y148-Q161 HydrophobicContact CE2-CB 4.27Å; Y148-Q161 WeakPolarHBondContact OH-CB 3.44Å; Y148-Q161 PolarHBondContact OH-OE1 3.34Å
149	E	96.9	Very high	97.6	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.374	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-20.7	176.2	-68.2	-61.8	142.3	0	0	113.3	R145 C147 K290	R145-E149 WeakPolarHBondContact O-CG 3.41Å; R145-E149 PolarHBondContact O-N 2.92Å; C147-E149 VanDerWaalsContact C-N 3.31Å; C147-E149 PolarHBondContact O-N 3.03Å; E149-K290 VanDerWaalsContact CD-NZ 3.32Å; E149-K290 IonicContact OE2-NZ 2.64Å; E149-K290 PolarHBondContact OE2-NZ 2.89Å
150	R	97.7	Very high	97.6	Very high	50 Å²	50	39.6 Å²	39.6	19%	0.189	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	15.9	175.1	-65.7	177.5	63.3	-167.6	-1.8	112.8	L98 V99 P100 C147 Y148 N152 E153	L98-R150 HydrophobicContact CD1-CB 4.14Å; V99-R150 PolarHBondContact O-NH2 3.46Å; V99-R150 VanDerWaalsContact O-NH2 3.12Å; P100-R150 PolarHBondContact O-NH1 3.06Å; P100-R150 PolarHBondContact O-NH2 3.45Å; C147-R150 CarbonylContact O-C 3.28Å; C147-R150 WeakPolarHBondContact O-CA 3.32Å; C147-R150 WeakPolarHBondContact O-CB 3.23Å; C147-R150 PolarHBondContact O-N 2.66Å; Y148-R150 PolarHBondContact O-N 2.69Å; Y148-R150 VanDerWaalsContact O-N 3.16Å; R150-N152 PolarHBondContact O-N 2.84Å; R150-E153 WeakPolarHBondContact CB-OE1 3.4Å; R150-E153 IonicContact CZ-OE1 3.45Å; R150-E153 IonicContact CZ-OE2 3.65Å; R150-E153 IonicContact NE-OE1 2.76Å; R150-E153 PolarHBondContact NE-OE1 2.91Å; R150-E153 IonicContact NE-OE2 3.7Å; R150-E153 IonicContact NH2-OE1 3.29Å; R150-E153 PolarHBondContact NH2-OE1 3.37Å; R150-E153 IonicContact NH2-OE2 2.78Å; R150-E153 PolarHBondContact NH2-OE2 3.45Å; R150-E153 WeakPolarHBondContact O-CB 3.21Å; R150-E153 PolarHBondContact O-N 3.08Å
151	S	97.5	Very high	97.5	Very high	28 Å²	28	36 Å²	36	20%	0.196	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10.8	-176.4	58	0	0	0	0	115.4	C147 Y148 E153 Y154	C147-S151 PolarHBondContact O-N 2.9Å; Y148-S151 WeakPolarHBondContact O-CB 3.23Å; Y148-S151 PolarHBondContact O-N 3.23Å; Y148-S151 PolarHBondContact O-OG 3.07Å; S151-E153 PolarHBondContact O-N 3.32Å; S151-Y154 PolarHBondContact O-N 3.35Å
152	N	96.6	Very high	97.5	Very high	33 Å²	33	38.2 Å²	38.2	18%	0.176	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-72.8	-14.4	170.9	71.6	-76.4	0	0	0	113.6	R150 Y154 N239 M240	R150-N152 PolarHBondContact O-N 2.84Å; N152-Y154 VanDerWaalsContact C-N 3.33Å; N152-N239 WeakPolarHBondContact CB-ND2 3.45Å; N152-N239 PolarHBondContact ND2-O 3.35Å; N152-M240 HydrophobicContact CB-CG 4.14Å
153	E	97.2	Very high	97.5	Very high	88 Å²	88	31.5 Å²	31.5	41%	0.411	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-84.3	-7.9	177.4	-61.5	177.1	-128.5	0	0	112.6	L98 R150 S151	L98-E153 HydrophobicContact CD2-CB 3.62Å; L98-E153 HydrophobicContact CD2-CG 4.37Å; L98-E153 WeakPolarHBondContact CD2-OE2 3.09Å; R150-E153 WeakPolarHBondContact CB-OE1 3.4Å; R150-E153 IonicContact CZ-OE1 3.45Å; R150-E153 IonicContact CZ-OE2 3.65Å; R150-E153 IonicContact NE-OE1 2.76Å; R150-E153 PolarHBondContact NE-OE1 2.91Å; R150-E153 IonicContact NE-OE2 3.7Å; R150-E153 IonicContact NH2-OE1 3.29Å; R150-E153 PolarHBondContact NH2-OE1 3.37Å; R150-E153 IonicContact NH2-OE2 2.78Å; R150-E153 PolarHBondContact NH2-OE2 3.45Å; R150-E153 WeakPolarHBondContact O-CB 3.21Å; R150-E153 PolarHBondContact O-N 3.08Å; S151-E153 PolarHBondContact O-N 3.32Å
154	Y	97.9	Very high	97.5	Very high	25 Å²	25	31.4 Å²	31.4	10%	0.098	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-177.2	177.3	56.1	-90.4	0	0	0	111.5	T90 A94 L98 C147 S151 N152 L156	T90-Y154 HydrophobicContact CG2-CD2 3.89Å; T90-Y154 HydrophobicContact CG2-CE2 4.09Å; A94-Y154 HydrophobicContact CB-CD1 3.6Å; A94-Y154 HydrophobicContact CB-CD2 3.92Å; A94-Y154 HydrophobicContact CB-CE1 3.59Å; A94-Y154 HydrophobicContact CB-CE2 3.91Å; A94-Y154 HydrophobicContact CB-CG 3.75Å; L98-Y154 HydrophobicContact CD1-CE1 4.26Å; L98-Y154 HydrophobicContact CD2-CD1 3.92Å; L98-Y154 HydrophobicContact CD2-CE1 4.25Å; C147-Y154 PolarHBondContact O-OH 2.93Å; S151-Y154 PolarHBondContact O-N 3.35Å; N152-Y154 VanDerWaalsContact C-N 3.33Å; Y154-L156 HydrophobicContact CD2-CB 4.28Å; Y154-L156 HydrophobicContact CE2-CB 4Å; Y154-L156 HydrophobicContact CE2-CD2 4.44Å; Y154-L156 PolarHBondContact O-N 3.15Å
155	Q	97.4	Very high	97.5	Very high	33 Å²	33	36 Å²	36	15%	0.154	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	76.9	-171.6	-63.6	-62.9	-26	0	0	112.9	V241 I242 R243 N246	Q155-V241 PolarHBondContact NE2-O 2.85Å; Q155-V241 PolarHBondContact OE1-O 2.95Å; Q155-I242 PolarHBondContact NE2-O 3.06Å; Q155-R243 HydrophobicContact CB-CG 4.25Å; Q155-R243 HydrophobicContact CG-CG 4.03Å; Q155-R243 PolarHBondContact O-NH2 3.25Å; Q155-N246 PolarHBondContact NE2-OD1 2.81Å
156	L	97.3	Very high	97.4	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.174	C	C	.	.			trans	-90	153.7	175	-167.5	59.6	0	0	0	112.6	T90 I91 Y148 Y154 A160 R243	T90-L156 HydrophobicContact CG2-CD1 4.08Å; I91-L156 HydrophobicContact CD1-CD1 4.27Å; I91-L156 HydrophobicContact CD1-CD2 4.1Å; I91-L156 HydrophobicContact CG1-CD1 3.85Å; I91-L156 HydrophobicContact CG1-CD2 3.92Å; Y148-L156 HydrophobicContact CD2-CD2 3.55Å; Y148-L156 HydrophobicContact CE2-CD2 3.66Å; Y154-L156 HydrophobicContact CD2-CB 4.28Å; Y154-L156 HydrophobicContact CE2-CB 4Å; Y154-L156 HydrophobicContact CE2-CD2 4.44Å; Y154-L156 PolarHBondContact O-N 3.15Å; L156-A160 HydrophobicContact CD1-CB 3.95Å; L156-A160 HydrophobicContact CD2-CB 3.83Å; L156-A160 HydrophobicContact CG-CB 3.85Å; L156-R243 PolarHBondContact O-NH2 3.31Å
157	I	95.9	Very high	97.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	16%	0.157	C	C	.	.			trans	-83.5	141.1	173.6	64.5	-179.7	0	0	0	111	N83 E86 A87 C159 A160 R186	N83-I157 HydrophobicContact CB-CD1 3.86Å; N83-I157 VanDerWaalsContact O-CD1 3.29Å; N83-I157 WeakPolarHBondContact O-CD1 3.22Å; E86-I157 HydrophobicContact CB-CD1 4.44Å; E86-I157 HydrophobicContact CG-CG2 4.41Å; E86-I157 VanDerWaalsContact OE1-CG2 3.31Å; E86-I157 WeakPolarHBondContact OE1-CG2 3.35Å; A87-I157 HydrophobicContact CB-CD1 4.24Å; A87-I157 HydrophobicContact CB-CG1 4.37Å; I157-C159 PolarHBondContact O-N 3.27Å; I157-C159 VanDerWaalsContact O-N 3.14Å; I157-A160 HydrophobicContact CG1-CB 4.17Å; I157-A160 VanDerWaalsContact O-CB 3.28Å; I157-A160 WeakPolarHBondContact O-CB 3.48Å; I157-A160 PolarHBondContact O-N 2.82Å; I157-A160 VanDerWaalsContact O-N 3.12Å; I157-R186 VanDerWaalsContact CG2-CD 3.46Å
158	D	93.1	Very high	97.4	Very high	60 Å²	60	35.8 Å²	35.8	32%	0.321	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.6	-175.5	-57.1	-43.8	0	0	0	113.7	A160 K278 L281	D158-A160 VanDerWaalsContact C-N 3.28Å; D158-A160 PolarHBondContact O-N 3.24Å; D158-K278 IonicContact OD1-NZ 2.93Å; D158-K278 WeakPolarHBondContact OD2-CE 3.36Å; D158-K278 IonicContact OD2-NZ 3.79Å; D158-K278 PolarHBondContact OD2-NZ 2.93Å; D158-L281 HydrophobicContact CB-CD1 4.38Å
159	C	96.3	Very high	97.4	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.054	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.4	-179.2	56.2	0	0	0	0	114.1	I157 Y162 F163 R184	I157-C159 PolarHBondContact O-N 3.27Å; I157-C159 VanDerWaalsContact O-N 3.14Å; C159-Y162 PolarHBondContact O-N 3.22Å; C159-F163 HydrophobicContact CB-CD2 3.8Å; C159-F163 HydrophobicContact CB-CE2 3.65Å; C159-F163 WeakPolarHBondContact O-CD2 3.44Å; C159-F163 PolarHBondContact O-N 2.97Å; C159-F163 VanDerWaalsContact O-N 3.09Å; C159-R184 HydrophobicContact CB-CB 4.25Å; C159-R184 WeakPolarHBondContact CB-O 3.17Å; C159-R184 PolarHBondContact SG-O 3.37Å; C159-R184 VanDerWaalsContact SG-O 3.37Å
160	A	98	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-53.1	-60	-176.7	0	0	0	0	0	112.4	A87 Y148 L156 I157 D158 Y162 F163 L164	A87-A160 HydrophobicContact CB-CB 3.63Å; Y148-A160 HydrophobicContact CE2-CB 4.31Å; L156-A160 HydrophobicContact CD1-CB 3.95Å; L156-A160 HydrophobicContact CD2-CB 3.83Å; L156-A160 HydrophobicContact CG-CB 3.85Å; I157-A160 HydrophobicContact CG1-CB 4.17Å; I157-A160 VanDerWaalsContact O-CB 3.28Å; I157-A160 WeakPolarHBondContact O-CB 3.48Å; I157-A160 PolarHBondContact O-N 2.82Å; I157-A160 VanDerWaalsContact O-N 3.12Å; D158-A160 VanDerWaalsContact C-N 3.28Å; D158-A160 PolarHBondContact O-N 3.24Å; A160-Y162 VanDerWaalsContact C-N 3.34Å; A160-Y162 PolarHBondContact O-N 2.77Å; A160-F163 PolarHBondContact O-N 2.81Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 WeakPolarHBondContact O-CG 3.37Å; A160-L164 PolarHBondContact O-N 2.74Å
161	Q	97.8	Very high	97.5	Very high	49 Å²	49	34.5 Å²	34.5	23%	0.229	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-45.8	179.6	172.3	174.8	12.1	0	0	111.9	W139 Y148 F163 L164 D165	W139-Q161 HydrophobicContact CH2-CB 4.31Å; W139-Q161 HydrophobicContact CZ2-CB 4.04Å; W139-Q161 HydrophobicContact CZ2-CG 4.07Å; Y148-Q161 HydrophobicContact CE1-CB 4.36Å; Y148-Q161 HydrophobicContact CE2-CB 4.27Å; Y148-Q161 WeakPolarHBondContact OH-CB 3.44Å; Y148-Q161 PolarHBondContact OH-OE1 3.34Å; Q161-F163 VanDerWaalsContact C-N 3.27Å; Q161-F163 PolarHBondContact O-N 3.39Å; Q161-L164 PolarHBondContact O-N 2.96Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.38Å; Q161-D165 WeakPolarHBondContact O-CB 3.42Å; Q161-D165 PolarHBondContact O-N 3.28Å
162	Y	98	Very high	97.5	Very high	54 Å²	54	37.5 Å²	37.5	21%	0.212	19%	0.185	C	C	.	.	H	α-helix	trans	-55.8	-40.5	-178.6	176.1	-93.5	0	0	0	113.1	C159 A160 K166 Q180 D181 R184	C159-Y162 PolarHBondContact O-N 3.22Å; A160-Y162 VanDerWaalsContact C-N 3.34Å; A160-Y162 PolarHBondContact O-N 2.77Å; Y162-K166 HydrophobicContact CD1-CD 4.38Å; Y162-K166 HydrophobicContact CE1-CD 3.93Å; Y162-K166 WeakPolarHBondContact O-CD 3.26Å; Y162-K166 VanDerWaalsContact O-CG 3.25Å; Y162-K166 WeakPolarHBondContact O-CG 3.33Å; Y162-Q180 HydrophobicContact CE2-CG 4.27Å; Y162-D181 WeakPolarHBondContact CE1-OD1 3.32Å; Y162-D181 VanDerWaalsContact CZ-OD1 3.27Å; Y162-D181 PolarHBondContact OH-OD1 3.47Å; Y162-R184 HydrophobicContact CD1-CB 3.77Å; Y162-R184 HydrophobicContact CD1-CG 3.79Å; Y162-R184 HydrophobicContact CD2-CG 4.31Å; Y162-R184 HydrophobicContact CE1-CB 3.9Å; Y162-R184 HydrophobicContact CE1-CG 3.83Å; Y162-R184 HydrophobicContact CE2-CG 4.32Å; Y162-R184 HydrophobicContact CG-CB 4.41Å; Y162-R184 HydrophobicContact CG-CG 4.05Å
163	F	98.6	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-83.6	-34	179	-69.5	-49.5	0	0	0	113.3	I80 N83 L84 C159 A160 Q161 K166 I167 I170 D181 R184 C185	I80-F163 HydrophobicContact CB-CE1 4.48Å; I80-F163 HydrophobicContact CG1-CE1 4.21Å; I80-F163 HydrophobicContact CG1-CZ 4.07Å; I80-F163 HydrophobicContact CG2-CD1 3.85Å; I80-F163 HydrophobicContact CG2-CE1 3.63Å; I80-F163 HydrophobicContact CG2-CZ 4.11Å; N83-F163 HydrophobicContact CB-CD2 3.94Å; N83-F163 HydrophobicContact CB-CE2 3.95Å; L84-F163 HydrophobicContact CB-CB 4.34Å; C159-F163 HydrophobicContact CB-CD2 3.8Å; C159-F163 HydrophobicContact CB-CE2 3.65Å; C159-F163 WeakPolarHBondContact O-CD2 3.44Å; C159-F163 PolarHBondContact O-N 2.97Å; C159-F163 VanDerWaalsContact O-N 3.09Å; A160-F163 PolarHBondContact O-N 2.81Å; Q161-F163 VanDerWaalsContact C-N 3.27Å; Q161-F163 PolarHBondContact O-N 3.39Å; F163-K166 HydrophobicContact CD1-CD 4.25Å; F163-K166 CarbonylContact O-C 3.56Å; F163-K166 WeakPolarHBondContact O-CG 3.37Å; F163-K166 PolarHBondContact O-N 3.18Å; F163-I167 PolarHBondContact O-N 3.4Å; F163-I170 HydrophobicContact CB-CD1 4.19Å; F163-I170 HydrophobicContact CD1-CD1 3.84Å; F163-I170 HydrophobicContact CG-CD1 4.4Å; F163-D181 HydrophobicContact CE1-CB 4.33Å; F163-R184 HydrophobicContact CE2-CB 4.45Å; F163-R184 HydrophobicContact CZ-CB 4.01Å; F163-C185 HydrophobicContact CZ-CB 4.2Å
164	L	98.6	Very high	97.3	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-35.5	177.2	-67.2	170.8	0	0	0	112	L84 A87 I88 I91 W139 A160 Q161 K166 I167	L84-L164 HydrophobicContact CG-CD2 4.36Å; A87-L164 HydrophobicContact CB-CD1 4.06Å; A87-L164 HydrophobicContact CB-CG 4.26Å; I88-L164 HydrophobicContact CB-CD2 3.92Å; I88-L164 HydrophobicContact CD1-CD2 4.43Å; I91-L164 HydrophobicContact CD1-CD1 3.86Å; W139-L164 HydrophobicContact CD2-CB 3.7Å; W139-L164 HydrophobicContact CD2-CD1 3.81Å; W139-L164 HydrophobicContact CD2-CG 4.31Å; W139-L164 VanDerWaalsContact CE2-CB 3.44Å; W139-L164 HydrophobicContact CE3-CB 4.39Å; W139-L164 HydrophobicContact CE3-CD1 3.61Å; W139-L164 HydrophobicContact CG-CB 3.83Å; W139-L164 HydrophobicContact CH2-CB 4.47Å; W139-L164 HydrophobicContact CH2-CD1 3.78Å; W139-L164 HydrophobicContact CZ2-CB 3.83Å; W139-L164 HydrophobicContact CZ2-CD1 4.01Å; W139-L164 HydrophobicContact CZ3-CD1 3.63Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 WeakPolarHBondContact O-CG 3.37Å; A160-L164 PolarHBondContact O-N 2.74Å; Q161-L164 PolarHBondContact O-N 2.96Å; L164-K166 PolarHBondContact O-N 3.05Å; L164-K166 VanDerWaalsContact O-N 3.11Å; L164-I167 HydrophobicContact CB-CD1 4.5Å; L164-I167 HydrophobicContact CD2-CD1 4.06Å; L164-I167 VanDerWaalsContact O-CD1 3.26Å; L164-I167 WeakPolarHBondContact O-CD1 3.45Å; L164-I167 VanDerWaalsContact O-CG1 3.24Å; L164-I167 WeakPolarHBondContact O-CG1 3.39Å; L164-I167 PolarHBondContact O-N 3.35Å
165	D	98.5	Very high	97.2	Very high	97 Å²	97	43.3 Å²	43.3	52%	0.519	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.6	175.7	-69.1	-10	0	0	0	113.2	W139 Q161	W139-D165 PolarHBondContact NE1-OD1 3.16Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.38Å; Q161-D165 WeakPolarHBondContact O-CB 3.42Å; Q161-D165 PolarHBondContact O-N 3.28Å
166	K	97.7	Very high	97	Very high	35 Å²	35	46.8 Å²	46.8	15%	0.152	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	26.8	-177.2	67.9	179.8	-76.6	158.9	0	114	Y162 F163 L164 D168 V169 I170 D181	Y162-K166 HydrophobicContact CD1-CD 4.38Å; Y162-K166 HydrophobicContact CE1-CD 3.93Å; Y162-K166 WeakPolarHBondContact O-CD 3.26Å; Y162-K166 VanDerWaalsContact O-CG 3.25Å; Y162-K166 WeakPolarHBondContact O-CG 3.33Å; F163-K166 HydrophobicContact CD1-CD 4.25Å; F163-K166 CarbonylContact O-C 3.56Å; F163-K166 WeakPolarHBondContact O-CG 3.37Å; F163-K166 PolarHBondContact O-N 3.18Å; L164-K166 PolarHBondContact O-N 3.05Å; L164-K166 VanDerWaalsContact O-N 3.11Å; K166-D168 PolarHBondContact O-N 3.06Å; K166-V169 HydrophobicContact CB-CB 4.34Å; K166-V169 HydrophobicContact CB-CG2 4.34Å; K166-V169 WeakPolarHBondContact O-CB 3.21Å; K166-V169 PolarHBondContact O-N 3.28Å; K166-I170 HydrophobicContact CD-CD1 4.11Å; K166-I170 HydrophobicContact CD-CG1 4.49Å; K166-I170 HydrophobicContact CG-CD1 3.69Å; K166-I170 HydrophobicContact CG-CG1 4.19Å; K166-I170 PolarHBondContact O-N 2.97Å; K166-I170 VanDerWaalsContact O-N 3.1Å; K166-D181 WeakPolarHBondContact CE-OD1 3.49Å; K166-D181 IonicContact NZ-OD1 3.39Å; K166-D181 PolarHBondContact NZ-OD1 3.49Å; K166-D181 IonicContact NZ-OD2 2.68Å; K166-D181 PolarHBondContact NZ-OD2 3.36Å
167	I	98.6	Very high	96.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-49.8	-42.8	176	-72.5	161.3	0	0	0	111.3	L84 Y132 A135 K136 F163 L164 V169 I170 K171	L84-I167 HydrophobicContact CD1-CG1 3.87Å; L84-I167 HydrophobicContact CD2-CG1 4.5Å; L84-I167 HydrophobicContact CG-CG1 4.34Å; Y132-I167 HydrophobicContact CD1-CG2 4.11Å; Y132-I167 HydrophobicContact CG-CG2 4.47Å; A135-I167 HydrophobicContact CB-CD1 4.29Å; K136-I167 HydrophobicContact CB-CB 4.49Å; K136-I167 HydrophobicContact CB-CD1 3.93Å; K136-I167 HydrophobicContact CB-CG2 4.11Å; F163-I167 PolarHBondContact O-N 3.4Å; L164-I167 HydrophobicContact CB-CD1 4.5Å; L164-I167 HydrophobicContact CD2-CD1 4.06Å; L164-I167 VanDerWaalsContact O-CD1 3.26Å; L164-I167 WeakPolarHBondContact O-CD1 3.45Å; L164-I167 VanDerWaalsContact O-CG1 3.24Å; L164-I167 WeakPolarHBondContact O-CG1 3.39Å; L164-I167 PolarHBondContact O-N 3.35Å; I167-V169 PolarHBondContact O-N 2.94Å; I167-I170 PolarHBondContact O-N 3.28Å; I167-K171 WeakPolarHBondContact O-CB 3.25Å; I167-K171 PolarHBondContact O-N 3.17Å
168	D	98.3	Very high	96.8	Very high	63 Å²	63	48.7 Å²	48.7	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-26.4	-179.3	-69.5	-40.1	0	0	0	114.4	K136 K166 K171 Q172	K136-D168 IonicContact NZ-OD1 3.39Å; K136-D168 PolarHBondContact NZ-OD1 3.39Å; K136-D168 IonicContact NZ-OD2 2.66Å; K136-D168 PolarHBondContact NZ-OD2 3.31Å; K166-D168 PolarHBondContact O-N 3.06Å; D168-K171 VanDerWaalsContact OD1-CE 3.31Å; D168-K171 WeakPolarHBondContact OD1-CE 3.38Å; D168-K171 IonicContact OD1-NZ 2.78Å; D168-K171 PolarHBondContact OD1-NZ 2.83Å; D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-NE2 3.21Å
169	V	98.1	Very high	96.8	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-79.3	-44.9	175.1	179.9	0	0	0	0	109.9	K166 I167 K171 Y175	K166-V169 HydrophobicContact CB-CB 4.34Å; K166-V169 HydrophobicContact CB-CG2 4.34Å; K166-V169 WeakPolarHBondContact O-CB 3.21Å; K166-V169 PolarHBondContact O-N 3.28Å; I167-V169 PolarHBondContact O-N 2.94Å; V169-K171 VanDerWaalsContact C-N 3.34Å; V169-K171 PolarHBondContact O-N 2.77Å; V169-Y175 HydrophobicContact CG1-CD2 4.02Å; V169-Y175 HydrophobicContact CG1-CE2 4.09Å
170	I	98	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.1	-29.6	-175.6	-64.9	167.1	0	0	0	112	I80 K81 L84 Y132 F163 K166 I167 Q172 Y175	I80-I170 HydrophobicContact CG2-CD1 3.87Å; I80-I170 HydrophobicContact CG2-CG1 4.29Å; I80-I170 HydrophobicContact CG2-CG2 4.4Å; K81-I170 HydrophobicContact CG-CG2 4.02Å; L84-I170 HydrophobicContact CD1-CB 4.22Å; L84-I170 HydrophobicContact CD1-CD1 3.74Å; L84-I170 HydrophobicContact CD1-CG2 4.07Å; Y132-I170 HydrophobicContact CE1-CG2 4.43Å; F163-I170 HydrophobicContact CB-CD1 4.19Å; F163-I170 HydrophobicContact CD1-CD1 3.84Å; F163-I170 HydrophobicContact CG-CD1 4.4Å; K166-I170 HydrophobicContact CD-CD1 4.11Å; K166-I170 HydrophobicContact CD-CG1 4.49Å; K166-I170 HydrophobicContact CG-CD1 3.69Å; K166-I170 HydrophobicContact CG-CG1 4.19Å; K166-I170 PolarHBondContact O-N 2.97Å; K166-I170 VanDerWaalsContact O-N 3.1Å; I167-I170 PolarHBondContact O-N 3.28Å; I170-Q172 VanDerWaalsContact C-N 3.26Å; I170-Q172 PolarHBondContact O-N 2.7Å; I170-Y175 HydrophobicContact CG1-CE1 4.24Å; I170-Y175 HydrophobicContact CG1-CE2 4.36Å; I170-Y175 HydrophobicContact CG2-CD1 4.43Å; I170-Y175 HydrophobicContact CG2-CE1 4.29Å
171	K	97.5	Very high	96.6	Very high	61 Å²	61	51.5 Å²	51.5	27%	0.265	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.8	-178.5	78.7	-174.3	-172.2	-171.9	0	114.2	Y132 E133 I167 D168 V169	Y132-K171 HydrophobicContact CD1-CB 3.69Å; Y132-K171 HydrophobicContact CD2-CB 3.76Å; Y132-K171 HydrophobicContact CE1-CB 4.04Å; Y132-K171 HydrophobicContact CE2-CB 4.1Å; Y132-K171 HydrophobicContact CG-CB 3.52Å; E133-K171 IonicContact OE1-NZ 2.77Å; E133-K171 PolarHBondContact OE1-NZ 3.47Å; I167-K171 WeakPolarHBondContact O-CB 3.25Å; I167-K171 PolarHBondContact O-N 3.17Å; D168-K171 VanDerWaalsContact OD1-CE 3.31Å; D168-K171 WeakPolarHBondContact OD1-CE 3.38Å; D168-K171 IonicContact OD1-NZ 2.78Å; D168-K171 PolarHBondContact OD1-NZ 2.83Å; V169-K171 VanDerWaalsContact C-N 3.34Å; V169-K171 PolarHBondContact O-N 2.77Å
172	Q	97.8	Very high	96.5	Very high	91 Å²	91	49.2 Å²	49.2	43%	0.425	27%	0.274	S	S	.	.	S	Bend	trans	-66.4	141.6	-179	-57	-56	-40.7	0	0	111.3	D168 I170 D174 Y175	D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-NE2 3.21Å; I170-Q172 VanDerWaalsContact C-N 3.26Å; I170-Q172 PolarHBondContact O-N 2.7Å; Q172-D174 VanDerWaalsContact C-N 3.26Å; Q172-D174 WeakPolarHBondContact CB-OD1 3.43Å; Q172-D174 PolarHBondContact O-N 3.06Å; Q172-Y175 VanDerWaalsContact O-CB 3.24Å; Q172-Y175 WeakPolarHBondContact O-CB 3.18Å; Q172-Y175 PolarHBondContact O-N 2.75Å
173	A	94.5	Very high	96.3	Very high	116 Å²	116	46.8 Å²	46.8	96%	0.959	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.5	-178.5	0	0	0	0	0	112.9
174	D	94.9	Very high	96.1	Very high	130 Å²	130	50 Å²	50	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	14.9	178.1	66.2	-25.6	0	0	0	112.9	Q172 V176	Q172-D174 VanDerWaalsContact C-N 3.26Å; Q172-D174 WeakPolarHBondContact CB-OD1 3.43Å; Q172-D174 PolarHBondContact O-N 3.06Å; D174-V176 PolarHBondContact O-N 3.17Å; D174-V176 VanDerWaalsContact O-N 3.14Å
175	Y	95.6	Very high	96	Very high	22 Å²	22	50 Å²	50	9%	0.086	28%	0.277	C	S	.	.			trans	-56.9	118.6	178.2	169.1	-118.5	0	0	0	111.6	V77 I80 V169 I170 Q172 P177 D181	V77-Y175 HydrophobicContact CG1-CD1 4.15Å; V77-Y175 HydrophobicContact CG2-CD1 4.31Å; V77-Y175 HydrophobicContact CG2-CE1 4.49Å; I80-Y175 HydrophobicContact CD1-CE1 4.49Å; I80-Y175 HydrophobicContact CG2-CE1 4.4Å; V169-Y175 HydrophobicContact CG1-CD2 4.02Å; V169-Y175 HydrophobicContact CG1-CE2 4.09Å; I170-Y175 HydrophobicContact CG1-CE1 4.24Å; I170-Y175 HydrophobicContact CG1-CE2 4.36Å; I170-Y175 HydrophobicContact CG2-CD1 4.43Å; I170-Y175 HydrophobicContact CG2-CE1 4.29Å; Q172-Y175 VanDerWaalsContact O-CB 3.24Å; Q172-Y175 WeakPolarHBondContact O-CB 3.18Å; Q172-Y175 PolarHBondContact O-N 2.75Å; Y175-P177 HydrophobicContact CE1-CG 3.84Å; Y175-D181 PolarHBondContact OH-OD2 2.66Å
176	V	93.9	Very high	95.7	Very high	106 Å²	106	47.3 Å²	47.3	64%	0.642	26%	0.26	S	S	*	.			trans	-110.4	119.3	171.1	-179.4	0	0	0	0	108.9	K73 D174 S178	K73-V176 HydrophobicContact CD-CG1 4.25Å; D174-V176 PolarHBondContact O-N 3.17Å; D174-V176 VanDerWaalsContact O-N 3.14Å; V176-S178 PolarHBondContact O-N 3.07Å
177	P	95.6	Very high	95.3	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.019	27%	0.271	C	S	.	.			trans	-59.5	131.3	179.2	-25.6	34.6	0	0	0	112.6	V77 I80 Y175 D181 L182	V77-P177 HydrophobicContact CG2-CG 3.63Å; I80-P177 HydrophobicContact CD1-CB 3.62Å; I80-P177 HydrophobicContact CD1-CG 3.7Å; Y175-P177 HydrophobicContact CE1-CG 3.84Å; P177-D181 HydrophobicContact CB-CB 4.12Å; P177-L182 HydrophobicContact CB-CD2 3.87Å; P177-L182 HydrophobicContact CB-CG 4.25Å
178	S	94.1	Very high	94.7	Very high	47 Å²	47	53.5 Å²	53.5	33%	0.329	30%	0.296	S	S	.	.			trans	-70.6	160.8	167.3	68.8	0	0	0	0	110.4	V176 Q180 D181 L182	V176-S178 PolarHBondContact O-N 3.07Å; S178-Q180 PolarHBondContact O-N 3.04Å; S178-D181 WeakPolarHBondContact CB-OD2 3.45Å; S178-D181 PolarHBondContact N-OD2 3.49Å; S178-D181 WeakPolarHBondContact O-CA 3.18Å; S178-D181 WeakPolarHBondContact O-CB 3.44Å; S178-D181 PolarHBondContact O-N 3.32Å; S178-D181 PolarHBondContact OG-N 3.45Å; S178-D181 VanDerWaalsContact OG-N 3.15Å; S178-D181 PolarHBondContact OG-OD2 3.44Å; S178-L182 WeakPolarHBondContact O-CG 3.46Å; S178-L182 PolarHBondContact O-N 2.92Å; S178-L182 VanDerWaalsContact O-N 3.09Å
179	D	92.6	Very high	94.1	Very high	59 Å²	59	52 Å²	52	32%	0.316	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-28.7	175.9	-64.3	-7.3	0	0	0	111.3	I62 K73 L182 L183	I62-D179 HydrophobicContact CD1-CB 4.12Å; K73-D179 IonicContact NZ-OD1 2.77Å; K73-D179 PolarHBondContact NZ-OD1 2.83Å; D179-L182 PolarHBondContact O-N 2.7Å; D179-L183 WeakPolarHBondContact O-CG 3.39Å; D179-L183 PolarHBondContact O-N 2.96Å
180	Q	94.9	Very high	93.5	Very high	64 Å²	64	52 Å²	52	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-38.6	172.3	-164.8	62.9	9.7	0	0	112.2	Y162 S178 L182 L183 R184 V352	Y162-Q180 HydrophobicContact CE2-CG 4.27Å; S178-Q180 PolarHBondContact O-N 3.04Å; Q180-L182 VanDerWaalsContact C-N 3.31Å; Q180-L182 PolarHBondContact O-N 2.65Å; Q180-L183 PolarHBondContact O-N 2.85Å; Q180-R184 WeakPolarHBondContact O-CB 3.38Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.27Å; Q180-V352 PolarHBondContact NE2-O 3.45Å; Q180-V352 PolarHBondContact OE1-O 2.83Å
181	D	95.9	Very high	93.1	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-41.4	173.8	-60	-38.5	0	0	0	111.3	I80 Y162 F163 K166 Y175 P177 S178 L183 R184 C185	I80-D181 HydrophobicContact CD1-CB 3.85Å; Y162-D181 WeakPolarHBondContact CE1-OD1 3.32Å; Y162-D181 VanDerWaalsContact CZ-OD1 3.27Å; Y162-D181 PolarHBondContact OH-OD1 3.47Å; F163-D181 HydrophobicContact CE1-CB 4.33Å; K166-D181 WeakPolarHBondContact CE-OD1 3.49Å; K166-D181 IonicContact NZ-OD1 3.39Å; K166-D181 PolarHBondContact NZ-OD1 3.49Å; K166-D181 IonicContact NZ-OD2 2.68Å; K166-D181 PolarHBondContact NZ-OD2 3.36Å; Y175-D181 PolarHBondContact OH-OD2 2.66Å; P177-D181 HydrophobicContact CB-CB 4.12Å; S178-D181 WeakPolarHBondContact CB-OD2 3.45Å; S178-D181 PolarHBondContact N-OD2 3.49Å; S178-D181 WeakPolarHBondContact O-CA 3.18Å; S178-D181 WeakPolarHBondContact O-CB 3.44Å; S178-D181 PolarHBondContact O-N 3.32Å; S178-D181 PolarHBondContact OG-N 3.45Å; S178-D181 VanDerWaalsContact OG-N 3.15Å; S178-D181 PolarHBondContact OG-OD2 3.44Å; D181-L183 PolarHBondContact O-N 3.47Å; D181-R184 PolarHBondContact O-N 2.9Å; D181-C185 VanDerWaalsContact O-CB 3.23Å; D181-C185 WeakPolarHBondContact O-CB 3.49Å; D181-C185 PolarHBondContact O-N 2.86Å
182	L	94.1	Very high	92.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.9	-58.9	177.5	0	0	0	112	K58 F68 K73 K76 I80 P177 S178 D179 Q180	K58-L182 WeakPolarHBondContact CD-O 3.21Å; K58-L182 PolarHBondContact NZ-O 2.8Å; F68-L182 HydrophobicContact CB-CD1 3.68Å; F68-L182 HydrophobicContact CD1-CD1 4.21Å; F68-L182 HydrophobicContact CD2-CB 4.3Å; F68-L182 HydrophobicContact CD2-CD1 3.33Å; F68-L182 HydrophobicContact CD2-CG 4.45Å; F68-L182 HydrophobicContact CE2-CB 4.07Å; F68-L182 HydrophobicContact CE2-CD1 3.96Å; F68-L182 HydrophobicContact CG-CD1 3.47Å; F68-L182 VanDerWaalsContact CG-CD1 3.47Å; F68-L182 HydrophobicContact CZ-CB 4.44Å; K73-L182 HydrophobicContact CG-CD1 4.1Å; K76-L182 HydrophobicContact CB-CD2 3.39Å; K76-L182 HydrophobicContact CD-CD2 4.35Å; K76-L182 HydrophobicContact CG-CD2 3.72Å; I80-L182 HydrophobicContact CD1-CD2 4.43Å; P177-L182 HydrophobicContact CB-CD2 3.87Å; P177-L182 HydrophobicContact CB-CG 4.25Å; S178-L182 WeakPolarHBondContact O-CG 3.46Å; S178-L182 PolarHBondContact O-N 2.92Å; S178-L182 VanDerWaalsContact O-N 3.09Å; D179-L182 PolarHBondContact O-N 2.7Å; Q180-L182 VanDerWaalsContact C-N 3.31Å; Q180-L182 PolarHBondContact O-N 2.65Å
183	L	94.1	Very high	92.3	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-40.5	175.3	-74.6	168.3	0	0	0	112.3	T55 K58 Q59 I62 D179 Q180 D181	T55-L183 HydrophobicContact CG2-CB 4.44Å; T55-L183 HydrophobicContact CG2-CD2 3.93Å; K58-L183 HydrophobicContact CB-CD2 3.78Å; Q59-L183 HydrophobicContact CG-CD2 3.75Å; Q59-L183 VanDerWaalsContact NE2-CD1 3.33Å; I62-L183 HydrophobicContact CD1-CD1 3.83Å; I62-L183 HydrophobicContact CD1-CD2 3.91Å; I62-L183 HydrophobicContact CD1-CG 3.83Å; D179-L183 WeakPolarHBondContact O-CG 3.39Å; D179-L183 PolarHBondContact O-N 2.96Å; Q180-L183 PolarHBondContact O-N 2.85Å; D181-L183 PolarHBondContact O-N 3.47Å
184	R	95.1	Very high	92.1	Very high	67 Å²	67	53.4 Å²	53.4	25%	0.253	29%	0.285	S	S	.	.	H	α-helix	trans	-77.4	-25.8	178.8	-64.9	-71.8	179.4	113.2	-8.2	113.1	C159 Y162 F163 Q180 D181 R186	C159-R184 HydrophobicContact CB-CB 4.25Å; C159-R184 WeakPolarHBondContact CB-O 3.17Å; C159-R184 PolarHBondContact SG-O 3.37Å; C159-R184 VanDerWaalsContact SG-O 3.37Å; Y162-R184 HydrophobicContact CD1-CB 3.77Å; Y162-R184 HydrophobicContact CD1-CG 3.79Å; Y162-R184 HydrophobicContact CD2-CG 4.31Å; Y162-R184 HydrophobicContact CE1-CB 3.9Å; Y162-R184 HydrophobicContact CE1-CG 3.83Å; Y162-R184 HydrophobicContact CE2-CG 4.32Å; Y162-R184 HydrophobicContact CG-CB 4.41Å; Y162-R184 HydrophobicContact CG-CG 4.05Å; F163-R184 HydrophobicContact CE2-CB 4.45Å; F163-R184 HydrophobicContact CZ-CB 4.01Å; Q180-R184 WeakPolarHBondContact O-CB 3.38Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.27Å; D181-R184 PolarHBondContact O-N 2.9Å; R184-R186 PolarHBondContact O-N 2.78Å
185	C	95.3	Very high	91.9	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.027	26%	0.258	C	S	.	.			trans	-60	124.5	179.2	176.8	0	0	0	0	111.5	K58 D79 I80 N83 F163 D181	K58-C185 PolarHBondContact NZ-O 3.42Å; D79-C185 VanDerWaalsContact CB-SG 3.52Å; I80-C185 HydrophobicContact CG1-CB 3.92Å; N83-C185 WeakPolarHBondContact OD1-CA 3.42Å; N83-C185 PolarHBondContact OD1-SG 3.41Å; N83-C185 VanDerWaalsContact OD1-SG 3.38Å; F163-C185 HydrophobicContact CZ-CB 4.2Å; D181-C185 VanDerWaalsContact O-CB 3.23Å; D181-C185 WeakPolarHBondContact O-CB 3.49Å; D181-C185 PolarHBondContact O-N 2.86Å
186	R	92.3	Very high	91.8	Very high	42 Å²	42	53.8 Å²	53.8	16%	0.158	28%	0.282	C	S	.	.			trans	-93.8	121	178.6	178.2	-179.4	171.8	-109.5	6.2	109.4	E50 N83 E86 I157 R184 R243	E50-R186 IonicContact OE1-CZ 3.75Å; E50-R186 IonicContact OE1-NE 2.61Å; E50-R186 PolarHBondContact OE1-NE 3.17Å; E50-R186 IonicContact OE1-NH2 3.2Å; E50-R186 PolarHBondContact OE1-NH2 2.97Å; N83-R186 PolarHBondContact ND2-O 3.39Å; N83-R186 PolarHBondContact OD1-N 3.29Å; N83-R186 PolarHBondContact OD1-O 3.43Å; E86-R186 VanDerWaalsContact CD-NH1 3.3Å; E86-R186 IonicContact OE1-CZ 3.26Å; E86-R186 IonicContact OE1-NH1 3.86Å; E86-R186 PolarHBondContact OE1-NH1 3.42Å; E86-R186 IonicContact OE2-NH1 3.82Å; E86-R186 PolarHBondContact OE2-NH1 2.93Å; I157-R186 VanDerWaalsContact CG2-CD 3.46Å; R184-R186 PolarHBondContact O-N 2.78Å; R186-R243 VanDerWaalsContact NH2-NE 3.13Å
187	V	90.1	Very high	91.7	Very high	64 Å²	64	49.3 Å²	49.3	39%	0.388	26%	0.255	S	S	.	.			trans	-128.8	130.7	170.3	-178.6	0	0	0	0	107.1	D79 T189	D79-V187 HydrophobicContact CB-CG2 4.16Å; V187-T189 PolarHBondContact O-N 3.41Å
188	L	87.1	Confident	91.5	Very high	102 Å²	102	54.5 Å²	54.5	53%	0.534	28%	0.279	S	S	.	.			trans	-71.5	115.6	178.2	-70.4	177.3	0	0	0	109.9	S190	L188-S190 PolarHBondContact O-N 3.39Å
189	T	83.9	Confident	91.1	Very high	32 Å²	32	52.9 Å²	52.9	20%	0.196	27%	0.266	C	S	.	.			trans	-80.7	108.5	177.6	-52.2	0	0	0	0	109.7	S54 V187 F193 G210	S54-T189 PolarHBondContact OG-OG1 3.32Å; V187-T189 PolarHBondContact O-N 3.41Å; T189-F193 HydrophobicContact CG2-CD2 3.33Å; T189-F193 HydrophobicContact CG2-CE2 3.36Å; T189-F193 HydrophobicContact CG2-CG 4.49Å; T189-G210 WeakPolarHBondContact O-CA 3.17Å
190	S	86.8	Confident	90.8	Very high	76 Å²	76	55.9 Å²	55.9	53%	0.531	28%	0.283	S	S	.	.			trans	-106.6	127.1	168.2	-175.2	0	0	0	0	109.7	L188 F193 E215	L188-S190 PolarHBondContact O-N 3.39Å; S190-F193 VanDerWaalsContact O-CE2 3.29Å; S190-F193 WeakPolarHBondContact O-CE2 3.38Å; S190-E215 PolarHBondContact OG-OE1 3.36Å
191	G	88.2	Confident	90.4	Very high	16 Å²	16	61.7 Å²	61.7	17%	0.165	31%	0.307	C	S	.	.	S	Bend	trans	94.3	-155.7	-176.3	0	0	0	0	0	114.2	G210 E215	G191-G210 PolarHBondContact O-N 2.78Å; G191-E215 PolarHBondContact N-OE2 3.45Å
192	I	88.9	Confident	90	Very high	56 Å²	56	63.1 Å²	63.1	29%	0.287	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.6	-175.5	-61.3	157.3	0	0	0	107.7	F207 D208 V209 Q221 C222	I192-F207 HydrophobicContact CG2-CD1 4.39Å; I192-D208 WeakPolarHBondContact CA-O 3.48Å; I192-V209 HydrophobicContact CG1-CG1 3.8Å; I192-V209 HydrophobicContact CG1-CG2 4.16Å; I192-V209 HydrophobicContact CG2-CG2 4.4Å; I192-Q221 HydrophobicContact CD1-CB 4.4Å; I192-C222 WeakPolarHBondContact CD1-SG 3.24Å
193	F	89.6	Confident	89.9	Confident	112 Å²	112	65 Å²	65	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.1	177	-65.4	-94.5	0	0	0	109.9	T189 S190 F207 D208	T189-F193 HydrophobicContact CG2-CD2 3.33Å; T189-F193 HydrophobicContact CG2-CE2 3.36Å; T189-F193 HydrophobicContact CG2-CG 4.49Å; S190-F193 VanDerWaalsContact O-CE2 3.29Å; S190-F193 WeakPolarHBondContact O-CE2 3.38Å; F193-F207 CarbonylContact O-C 3.58Å; F193-F207 WeakPolarHBondContact O-CA 3.29Å; F193-D208 HydrophobicContact CB-CB 4.43Å; F193-D208 PolarHBondContact N-O 2.85Å; F193-D208 PolarHBondContact O-N 2.94Å
194	E	91.2	Very high	89.9	Confident	112 Å²	112	65 Å²	65	52%	0.523	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.5	-178.1	-72.4	-179.4	-153.9	0	0	110.6	H205 M206 F207	E194-H205 IonicContact OE2-CE1 2.96Å; E194-H205 PolarHBondContact OE2-CE1 3.03Å; E194-H205 IonicContact OE2-NE2 3.67Å; E194-H205 PolarHBondContact OE2-NE2 3.29Å; E194-M206 CarbonylContact C-O 3.59Å; E194-M206 WeakPolarHBondContact CA-O 3.35Å; E194-F207 HydrophobicContact CG-CD1 3.6Å; E194-F207 HydrophobicContact CG-CE1 3.71Å
195	T	91.5	Very high	89.9	Confident	21 Å²	21	62.7 Å²	62.7	13%	0.129	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.8	170.4	-65.6	0	0	0	0	109.5	V57 R61 F197 M206	V57-T195 HydrophobicContact CG1-CG2 4.32Å; V57-T195 VanDerWaalsContact CG1-OG1 3.24Å; V57-T195 WeakPolarHBondContact CG1-OG1 3.43Å; R61-T195 HydrophobicContact CG-CG2 4.01Å; T195-F197 HydrophobicContact CG2-CD1 4.32Å; T195-M206 PolarHBondContact N-O 3.4Å; T195-M206 PolarHBondContact O-N 3.15Å
196	K	92.7	Very high	89.8	Confident	139 Å²	139	62.6 Å²	62.6	60%	0.604	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.2	178.8	-65.3	175.6	-173.7	169.8	0	109.2	F204 H205	K196-F204 WeakPolarHBondContact CA-O 3.35Å; K196-H205 WeakPolarHBondContact CE-CE1 3.44Å; K196-H205 WeakPolarHBondContact CE-NE2 3.4Å; K196-H205 HydrophobicContact CG-CB 4.31Å; K196-H205 WeakPolarHBondContact CG-CD2 3.41Å
197	F	92.4	Very high	89.9	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	165.2	178.6	60.9	-83.2	0	0	0	110.5	M60 H64 V65 T195 V199 F204 M206 F361	M60-F197 HydrophobicContact CB-CD1 4.24Å; M60-F197 HydrophobicContact CB-CE1 3.92Å; M60-F197 HydrophobicContact CB-CZ 4.15Å; M60-F197 HydrophobicContact CG-CE1 4.02Å; M60-F197 HydrophobicContact CG-CZ 3.93Å; M60-F197 HydrophobicContact SD-CE1 4.36Å; M60-F197 HydrophobicContact SD-CE2 4.03Å; M60-F197 HydrophobicContact SD-CZ 3.66Å; H64-F197 HydrophobicContact CB-CB 3.85Å; H64-F197 HydrophobicContact CB-CD2 3.79Å; H64-F197 HydrophobicContact CB-CG 4.12Å; H64-F197 AromaticContact CD2-CD2 3.65Å; H64-F197 AromaticContact CD2-CE2 3.76Å; H64-F197 AromaticContact CG-CD2 3.9Å; V65-F197 HydrophobicContact CG2-CB 3.56Å; T195-F197 HydrophobicContact CG2-CD1 4.32Å; F197-V199 HydrophobicContact CD2-CG2 3.7Å; F197-V199 HydrophobicContact CE2-CG2 3.79Å; F197-F204 HydrophobicContact CD1-CB 4.11Å; F197-F204 HydrophobicContact CD2-CB 4.04Å; F197-F204 HydrophobicContact CD2-CD2 4.32Å; F197-F204 HydrophobicContact CD2-CG 4.48Å; F197-F204 HydrophobicContact CE1-CB 3.67Å; F197-F204 HydrophobicContact CE2-CB 3.61Å; F197-F204 AromaticContact CE2-CD2 3.89Å; F197-F204 HydrophobicContact CE2-CD2 3.89Å; F197-F204 AromaticContact CE2-CG 3.83Å; F197-F204 HydrophobicContact CE2-CG 3.83Å; F197-F204 HydrophobicContact CG-CB 4.27Å; F197-F204 HydrophobicContact CZ-CB 3.41Å; F197-F204 VanDerWaalsContact CZ-CB 3.41Å; F197-F204 HydrophobicContact CZ-CD2 4.44Å; F197-F204 AromaticContact CZ-CG 3.92Å; F197-F204 HydrophobicContact CZ-CG 3.92Å; F197-F204 PolarHBondContact N-O 3.46Å; F197-F204 PolarHBondContact O-N 3.13Å; F197-M206 HydrophobicContact CE1-CB 4.45Å; F197-M206 HydrophobicContact CE1-CG 4.02Å; F197-M206 HydrophobicContact CE1-SD 3.43Å; F197-M206 WeakPolarHBondContact CE1-SD 3.41Å; F197-M206 HydrophobicContact CZ-SD 3.6Å; F197-M206 VanDerWaalsContact CZ-SD 3.6Å; F197-F361 AromaticContact CE2-CE1 4Å; F197-F361 HydrophobicContact CE2-CE1 4Å; F197-F361 AromaticContact CE2-CZ 3.74Å; F197-F361 HydrophobicContact CE2-CZ 3.74Å; F197-F361 HydrophobicContact CZ-CE1 4.41Å; F197-F361 HydrophobicContact CZ-CE2 4.25Å; F197-F361 AromaticContact CZ-CZ 3.72Å; F197-F361 HydrophobicContact CZ-CZ 3.72Å
198	Q	90.2	Very high	90	Very high	112 Å²	112	59.1 Å²	59.1	52%	0.523	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133	180	-175.9	176.4	80.9	0	0	109.8	V202 N203	Q198-V202 WeakPolarHBondContact CA-O 3.3Å; Q198-N203 PolarHBondContact NE2-OD1 2.91Å
199	V	87.1	Confident	90.2	Very high	12 Å²	12	54.2 Å²	54.2	7%	0.073	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.6	175	-170.6	0	0	0	0	107.9	F197 K201 V202 F204 F361	F197-V199 HydrophobicContact CD2-CG2 3.7Å; F197-V199 HydrophobicContact CE2-CG2 3.79Å; V199-K201 PolarHBondContact O-N 3.22Å; V199-K201 VanDerWaalsContact O-N 3.14Å; V199-V202 PolarHBondContact N-O 3.48Å; V199-V202 WeakPolarHBondContact O-CB 3.33Å; V199-V202 PolarHBondContact O-N 2.97Å; V199-F204 HydrophobicContact CB-CD2 4.46Å; V199-F204 HydrophobicContact CB-CE2 4.1Å; V199-F204 HydrophobicContact CG2-CD2 4.23Å; V199-F204 HydrophobicContact CG2-CE2 4.26Å; V199-F361 HydrophobicContact CG2-CE1 4.33Å
200	D	85.7	Confident	90.5	Very high	123 Å²	123	52.8 Å²	52.8	66%	0.658	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	43.3	-179.2	-62.9	-24.4	0	0	0	113.7	V202 R365	D200-V202 PolarHBondContact O-N 3.3Å; D200-R365 IonicContact OD2-CZ 2.82Å; D200-R365 IonicContact OD2-NH1 2.7Å; D200-R365 PolarHBondContact OD2-NH1 2.87Å; D200-R365 IonicContact OD2-NH2 2.7Å
201	K	86.1	Confident	90.6	Very high	185 Å²	185	49.4 Å²	49.4	80%	0.804	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	4.1	-177.9	-49.6	173.7	-177.8	174.7	0	115.4	V199	V199-K201 PolarHBondContact O-N 3.22Å; V199-K201 VanDerWaalsContact O-N 3.14Å
202	V	88.5	Confident	90.6	Very high	33 Å²	33	51 Å²	51	20%	0.2	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.9	171.7	-177.9	0	0	0	0	109	H41 Q198 V199 D200 F204	H41-V202 VanDerWaalsContact CD2-CG1 3.42Å; H41-V202 WeakPolarHBondContact CD2-CG1 3.41Å; H41-V202 WeakPolarHBondContact NE2-CG1 3.42Å; Q198-V202 WeakPolarHBondContact CA-O 3.3Å; V199-V202 PolarHBondContact N-O 3.48Å; V199-V202 WeakPolarHBondContact O-CB 3.33Å; V199-V202 PolarHBondContact O-N 2.97Å; D200-V202 PolarHBondContact O-N 3.3Å; V202-F204 HydrophobicContact CB-CE2 3.95Å; V202-F204 HydrophobicContact CB-CZ 4.5Å; V202-F204 HydrophobicContact CG1-CD2 4.37Å; V202-F204 HydrophobicContact CG1-CE2 3.7Å; V202-F204 HydrophobicContact CG1-CZ 3.91Å; V202-F204 WeakPolarHBondContact O-CD2 3.22Å
203	N	92.3	Very high	90.8	Very high	42 Å²	42	52.6 Å²	52.6	23%	0.225	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.5	179.9	-63.5	-32.4	0	0	0	110.2	T40 H41 Q198	T40-N203 WeakPolarHBondContact CA-O 3.4Å; T40-N203 HydrophobicContact CG2-CB 4.2Å; H41-N203 PolarHBondContact N-O 3.44Å; Q198-N203 PolarHBondContact NE2-OD1 2.91Å
204	F	93.6	Very high	90.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.7	174.5	-68.4	-91.8	0	0	0	110	H41 L43 K196 F197 V199 V202 F361 R365 I368	H41-F204 HydrophobicContact CB-CD1 3.82Å; H41-F204 HydrophobicContact CB-CE1 4Å; H41-F204 AromaticContact CD2-CE1 3.73Å; H41-F204 AromaticContact CD2-CZ 3.92Å; H41-F204 CarbonylContact O-C 3.59Å; H41-F204 WeakPolarHBondContact O-CA 3.43Å; L43-F204 HydrophobicContact CD1-CD1 3.79Å; L43-F204 HydrophobicContact CD1-CE1 4.36Å; L43-F204 HydrophobicContact CG-CD1 4.45Å; K196-F204 WeakPolarHBondContact CA-O 3.35Å; F197-F204 HydrophobicContact CD1-CB 4.11Å; F197-F204 HydrophobicContact CD2-CB 4.04Å; F197-F204 HydrophobicContact CD2-CD2 4.32Å; F197-F204 HydrophobicContact CD2-CG 4.48Å; F197-F204 HydrophobicContact CE1-CB 3.67Å; F197-F204 HydrophobicContact CE2-CB 3.61Å; F197-F204 AromaticContact CE2-CD2 3.89Å; F197-F204 HydrophobicContact CE2-CD2 3.89Å; F197-F204 AromaticContact CE2-CG 3.83Å; F197-F204 HydrophobicContact CE2-CG 3.83Å; F197-F204 HydrophobicContact CG-CB 4.27Å; F197-F204 HydrophobicContact CZ-CB 3.41Å; F197-F204 VanDerWaalsContact CZ-CB 3.41Å; F197-F204 HydrophobicContact CZ-CD2 4.44Å; F197-F204 AromaticContact CZ-CG 3.92Å; F197-F204 HydrophobicContact CZ-CG 3.92Å; F197-F204 PolarHBondContact N-O 3.46Å; F197-F204 PolarHBondContact O-N 3.13Å; V199-F204 HydrophobicContact CB-CD2 4.46Å; V199-F204 HydrophobicContact CB-CE2 4.1Å; V199-F204 HydrophobicContact CG2-CD2 4.23Å; V199-F204 HydrophobicContact CG2-CE2 4.26Å; V202-F204 HydrophobicContact CB-CE2 3.95Å; V202-F204 HydrophobicContact CB-CZ 4.5Å; V202-F204 HydrophobicContact CG1-CD2 4.37Å; V202-F204 HydrophobicContact CG1-CE2 3.7Å; V202-F204 HydrophobicContact CG1-CZ 3.91Å; V202-F204 WeakPolarHBondContact O-CD2 3.22Å; F204-F361 AromaticContact CD1-CZ 3.94Å; F204-F361 HydrophobicContact CD1-CZ 3.94Å; F204-F361 HydrophobicContact CD2-CZ 4.49Å; F204-F361 AromaticContact CE1-CZ 3.9Å; F204-F361 HydrophobicContact CE1-CZ 3.9Å; F204-F361 HydrophobicContact CE2-CZ 4.48Å; F204-F361 HydrophobicContact CG-CZ 4.23Å; F204-F361 HydrophobicContact CZ-CE1 4.38Å; F204-F361 HydrophobicContact CZ-CZ 4.19Å; F204-R365 HydrophobicContact CZ-CG 4.36Å; F204-I368 HydrophobicContact CE1-CD1 4.41Å; F204-I368 HydrophobicContact CE1-CG2 4.24Å
205	H	94	Very high	90.7	Very high	19 Å²	19	47.5 Å²	47.5	9%	0.088	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	107.3	175.1	-171.4	-168.2	0	0	0	109.4	T40 H41 R42 L43 E194 K196 F207	T40-H205 HydrophobicContact CG2-CB 3.65Å; H41-H205 PolarHBondContact O-N 3.46Å; R42-H205 CarbonylContact C-O 3.58Å; R42-H205 WeakPolarHBondContact CA-O 3.35Å; R42-H205 HydrophobicContact CG-CB 4.23Å; L43-H205 PolarHBondContact N-O 3.02Å; E194-H205 IonicContact OE2-CE1 2.96Å; E194-H205 PolarHBondContact OE2-CE1 3.03Å; E194-H205 IonicContact OE2-NE2 3.67Å; E194-H205 PolarHBondContact OE2-NE2 3.29Å; K196-H205 WeakPolarHBondContact CE-CE1 3.44Å; K196-H205 WeakPolarHBondContact CE-NE2 3.4Å; K196-H205 HydrophobicContact CG-CB 4.31Å; K196-H205 WeakPolarHBondContact CG-CD2 3.41Å; H205-F207 AromaticContact CE1-CE1 3.48Å; H205-F207 VanDerWaalsContact CE1-CE1 3.48Å; H205-F207 WeakPolarHBondContact CE1-CE1 3.29Å; H205-F207 AromaticContact CE1-CZ 3.23Å; H205-F207 WeakPolarHBondContact CE1-CZ 3.32Å; H205-F207 AromaticContact CG-CZ 3.9Å; H205-F207 AromaticContact ND1-CE2 3.86Å; H205-F207 AromaticContact ND1-CZ 3.33Å; H205-F207 VanDerWaalsContact ND1-CZ 3.33Å; H205-F207 WeakPolarHBondContact ND1-CZ 3.22Å; H205-F207 AromaticContact NE2-CE1 3.78Å; H205-F207 AromaticContact NE2-CZ 3.79Å
206	M	93.8	Very high	90.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.6	-177.5	-82.7	171.4	73.6	0	0	111.7	L43 L45 I56 V57 M60 E194 T195 F197 I230	L43-M206 HydrophobicContact CB-CG 3.69Å; L43-M206 HydrophobicContact CD1-CG 4.01Å; L43-M206 HydrophobicContact CD1-SD 4.22Å; L43-M206 HydrophobicContact CG-CG 4.37Å; L43-M206 WeakPolarHBondContact O-CA 3.46Å; L45-M206 HydrophobicContact CD1-CB 3.98Å; L45-M206 HydrophobicContact CD1-CE 3.38Å; L45-M206 HydrophobicContact CD1-CG 4.01Å; L45-M206 HydrophobicContact CD2-CE 3.92Å; L45-M206 HydrophobicContact CG-CE 4.13Å; I56-M206 HydrophobicContact CG2-CE 3.86Å; V57-M206 HydrophobicContact CG2-CE 4.34Å; M60-M206 HydrophobicContact CB-SD 4.49Å; M60-M206 HydrophobicContact CG-CE 3.81Å; M60-M206 HydrophobicContact CG-SD 3.58Å; M60-M206 VanDerWaalsContact CG-SD 3.58Å; M60-M206 HydrophobicContact SD-SD 4.24Å; E194-M206 CarbonylContact C-O 3.59Å; E194-M206 WeakPolarHBondContact CA-O 3.35Å; T195-M206 PolarHBondContact N-O 3.4Å; T195-M206 PolarHBondContact O-N 3.15Å; F197-M206 HydrophobicContact CE1-CB 4.45Å; F197-M206 HydrophobicContact CE1-CG 4.02Å; F197-M206 HydrophobicContact CE1-SD 3.43Å; F197-M206 WeakPolarHBondContact CE1-SD 3.41Å; F197-M206 HydrophobicContact CZ-SD 3.6Å; F197-M206 VanDerWaalsContact CZ-SD 3.6Å; M206-I230 HydrophobicContact CE-CD1 4.49Å
207	F	93.4	Very high	90.4	Very high	27 Å²	27	52.7 Å²	52.7	12%	0.118	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.5	177.2	-56.2	-92.9	0	0	0	109.5	R42 L43 L44 L45 I192 F193 E194 H205	R42-F207 HydrophobicContact CB-CE2 4.12Å; R42-F207 HydrophobicContact CG-CE2 4.19Å; L43-F207 PolarHBondContact O-N 3.11Å; L44-F207 HydrophobicContact CD1-CB 3.81Å; L45-F207 PolarHBondContact N-O 3Å; I192-F207 HydrophobicContact CG2-CD1 4.39Å; F193-F207 CarbonylContact O-C 3.58Å; F193-F207 WeakPolarHBondContact O-CA 3.29Å; E194-F207 HydrophobicContact CG-CD1 3.6Å; E194-F207 HydrophobicContact CG-CE1 3.71Å; H205-F207 AromaticContact CE1-CE1 3.48Å; H205-F207 VanDerWaalsContact CE1-CE1 3.48Å; H205-F207 WeakPolarHBondContact CE1-CE1 3.29Å; H205-F207 AromaticContact CE1-CZ 3.23Å; H205-F207 WeakPolarHBondContact CE1-CZ 3.32Å; H205-F207 AromaticContact CG-CZ 3.9Å; H205-F207 AromaticContact ND1-CE2 3.86Å; H205-F207 AromaticContact ND1-CZ 3.33Å; H205-F207 VanDerWaalsContact ND1-CZ 3.33Å; H205-F207 WeakPolarHBondContact ND1-CZ 3.22Å; H205-F207 AromaticContact NE2-CE1 3.78Å; H205-F207 AromaticContact NE2-CZ 3.79Å
208	D	93.1	Very high	90.2	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.6	170.6	-179	29	0	0	0	109.6	K53 S54 V57 I192 F193	K53-D208 VanDerWaalsContact CB-OD1 3.23Å; K53-D208 WeakPolarHBondContact CB-OD1 3.22Å; S54-D208 VanDerWaalsContact CA-OD2 3.24Å; S54-D208 WeakPolarHBondContact CA-OD2 3.25Å; S54-D208 VanDerWaalsContact CB-OD2 3.22Å; S54-D208 WeakPolarHBondContact CB-OD2 3.35Å; S54-D208 PolarHBondContact OG-OD2 3.45Å; V57-D208 HydrophobicContact CG2-CB 3.76Å; I192-D208 WeakPolarHBondContact CA-O 3.48Å; F193-D208 HydrophobicContact CB-CB 4.43Å; F193-D208 PolarHBondContact N-O 2.85Å; F193-D208 PolarHBondContact O-N 2.94Å
209	V	91.4	Very high	90.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.4	-177.6	-163	0	0	0	0	109.7	L44 K53 I192 G211 W219	L44-V209 HydrophobicContact CD1-CG2 3.72Å; K53-V209 WeakPolarHBondContact CE-O 3.34Å; I192-V209 HydrophobicContact CG1-CG1 3.8Å; I192-V209 HydrophobicContact CG1-CG2 4.16Å; I192-V209 HydrophobicContact CG2-CG2 4.4Å; V209-G211 PolarHBondContact O-N 2.87Å; V209-W219 HydrophobicContact CG1-CG 4.36Å
210	G	90.9	Very high	89.9	Confident	1 Å²	1	53 Å²	53	1%	0.01	24%	0.242	C	C	.	.			trans	-48	129.7	174.6	0	0	0	0	0	112.4	T189 G191 E215 W219	T189-G210 WeakPolarHBondContact O-CA 3.17Å; G191-G210 PolarHBondContact O-N 2.78Å; G210-E215 WeakPolarHBondContact O-CB 3.23Å; G210-W219 PolarHBondContact O-NE1 3Å
211	G	88.3	Confident	89.8	Confident	5 Å²	5	53.4 Å²	53.4	5%	0.052	24%	0.24	C	C	.	.			trans	-94.6	-12.7	-173.2	0	0	0	0	0	115.9	G47 G49 V209 R216	G47-G211 WeakPolarHBondContact O-CA 3.29Å; G49-G211 PolarHBondContact N-O 2.97Å; V209-G211 PolarHBondContact O-N 2.87Å; G211-R216 PolarHBondContact O-NE 3.2Å
212	Q	88.6	Confident	89.7	Confident	49 Å²	49	45.1 Å²	45.1	23%	0.229	21%	0.205	C	C	.	.	S	Bend	trans	-69.4	153.5	-179.5	-69.4	178.3	-18.4	0	0	110.6	D214 E215 R216 E244	Q212-D214 WeakPolarHBondContact CB-OD1 3.3Å; Q212-D214 PolarHBondContact O-N 3.49Å; Q212-D214 VanDerWaalsContact O-N 3.16Å; Q212-E215 PolarHBondContact O-N 3Å; Q212-R216 WeakPolarHBondContact O-CG 3.26Å; Q212-R216 PolarHBondContact O-N 2.58Å; Q212-E244 WeakPolarHBondContact CA-OE1 3.44Å
213	R	91.6	Very high	89.5	Confident	91 Å²	91	44.4 Å²	44.4	34%	0.343	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.3	-170.8	-77.3	-178	169.2	169	0.1	114.2	E244 D245 T248 E253	R213-E244 HydrophobicContact CB-CG 4.32Å; R213-E244 HydrophobicContact CG-CG 4.32Å; R213-E244 PolarHBondContact N-OE1 3.17Å; R213-D245 IonicContact CZ-OD2 2.68Å; R213-D245 IonicContact NH1-OD2 3.91Å; R213-D245 PolarHBondContact NH1-OD2 3.43Å; R213-D245 IonicContact NH2-OD2 2.96Å; R213-D245 PolarHBondContact NH2-OD2 3.5Å; R213-T248 PolarHBondContact NH2-OG1 2.9Å; R213-E253 IonicContact CZ-OE1 3.98Å; R213-E253 IonicContact CZ-OE2 2.75Å; R213-E253 IonicContact NE-OE1 2.95Å; R213-E253 PolarHBondContact NE-OE1 3.03Å; R213-E253 VanDerWaalsContact NE-OE1 3.1Å; R213-E253 IonicContact NE-OE2 3.68Å; R213-E253 IonicContact NH2-OE1 2.64Å; R213-E253 IonicContact NH2-OE2 2.85Å; R213-E253 PolarHBondContact NH2-OE2 2.89Å
214	D	88.9	Confident	88.8	Confident	103 Å²	103	48.6 Å²	48.6	55%	0.551	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.2	177.3	53.2	-10.4	0	0	0	113.9	Q212	Q212-D214 WeakPolarHBondContact CB-OD1 3.3Å; Q212-D214 PolarHBondContact O-N 3.49Å; Q212-D214 VanDerWaalsContact O-N 3.16Å
215	E	90.7	Very high	88	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.065	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-76.8	-22.3	178.7	-67	-66.9	135.5	0	0	113.4	S190 G191 G210 Q212 R217 K218	S190-E215 PolarHBondContact OG-OE1 3.36Å; G191-E215 PolarHBondContact N-OE2 3.45Å; G210-E215 WeakPolarHBondContact O-CB 3.23Å; Q212-E215 PolarHBondContact O-N 3Å; E215-R217 PolarHBondContact O-N 3.1Å; E215-R217 VanDerWaalsContact O-N 3.1Å; E215-K218 WeakPolarHBondContact O-CB 3.28Å; E215-K218 PolarHBondContact O-N 2.91Å; E215-K218 IonicContact OE1-NZ 2.84Å; E215-K218 PolarHBondContact OE1-NZ 3.38Å; E215-K218 WeakPolarHBondContact OE2-CD 3.26Å; E215-K218 WeakPolarHBondContact OE2-CE 3.28Å; E215-K218 IonicContact OE2-NZ 2.82Å; E215-K218 PolarHBondContact OE2-NZ 3.42Å
216	R	90.3	Very high	87.9	Confident	51 Å²	51	51.1 Å²	51.1	19%	0.192	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.9	-172.8	-65.6	176.6	-162.8	171.2	7	114.7	G211 Q212 K218 W219 E253	G211-R216 PolarHBondContact O-NE 3.2Å; Q212-R216 WeakPolarHBondContact O-CG 3.26Å; Q212-R216 PolarHBondContact O-N 2.58Å; R216-K218 PolarHBondContact O-N 3.03Å; R216-W219 HydrophobicContact CB-CD2 4.32Å; R216-W219 HydrophobicContact CG-CD2 4.36Å; R216-W219 HydrophobicContact CG-CH2 4.18Å; R216-W219 HydrophobicContact CG-CZ2 3.79Å; R216-W219 WeakPolarHBondContact O-CB 3.22Å; R216-W219 VanDerWaalsContact O-CG 3.31Å; R216-W219 PolarHBondContact O-N 3.17Å; R216-E253 IonicContact CZ-OE1 3.1Å; R216-E253 IonicContact NH1-OE1 3.51Å; R216-E253 PolarHBondContact NH1-OE1 3.15Å; R216-E253 IonicContact NH2-OE1 3.25Å; R216-E253 PolarHBondContact NH2-OE1 3.37Å
217	R	87.3	Confident	87.8	Confident	217 Å²	217	51.3 Å²	51.3	82%	0.819	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.3	-24.7	176.6	-61.3	-175.5	-165.5	177	5.5	112.3	E215 W219	E215-R217 PolarHBondContact O-N 3.1Å; E215-R217 VanDerWaalsContact O-N 3.1Å; R217-W219 VanDerWaalsContact C-N 3.32Å
218	K	87.9	Confident	87.8	Confident	64 Å²	64	50 Å²	50	28%	0.278	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-77.1	-18.8	179.6	-58.1	174.2	-171.1	165.5	0	112.4	E215 R216 I220 Q221	E215-K218 WeakPolarHBondContact O-CB 3.28Å; E215-K218 PolarHBondContact O-N 2.91Å; E215-K218 IonicContact OE1-NZ 2.84Å; E215-K218 PolarHBondContact OE1-NZ 3.38Å; E215-K218 WeakPolarHBondContact OE2-CD 3.26Å; E215-K218 WeakPolarHBondContact OE2-CE 3.28Å; E215-K218 IonicContact OE2-NZ 2.82Å; E215-K218 PolarHBondContact OE2-NZ 3.42Å; R216-K218 PolarHBondContact O-N 3.03Å; K218-I220 VanDerWaalsContact C-N 3.27Å; K218-I220 PolarHBondContact O-N 3.24Å; K218-Q221 WeakPolarHBondContact O-CB 3.49Å; K218-Q221 WeakPolarHBondContact O-CG 3.36Å; K218-Q221 PolarHBondContact O-N 2.98Å
219	W	88.7	Confident	87.9	Confident	9 Å²	9	49.7 Å²	49.7	3%	0.034	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.6	-36.8	-173.5	-68.4	10.6	0	0	0	113.6	L46 V209 G210 R216 R217 Q221 C222 F223 L257 I261	L46-W219 HydrophobicContact CB-CH2 4.27Å; L46-W219 HydrophobicContact CB-CZ3 4.23Å; L46-W219 HydrophobicContact CD1-CE3 4.22Å; L46-W219 HydrophobicContact CD1-CZ3 4.27Å; L46-W219 HydrophobicContact CD2-CD2 3.64Å; L46-W219 HydrophobicContact CD2-CE3 3.66Å; L46-W219 HydrophobicContact CD2-CG 4.1Å; L46-W219 HydrophobicContact CD2-CH2 4.25Å; L46-W219 HydrophobicContact CD2-CZ2 4.26Å; L46-W219 HydrophobicContact CD2-CZ3 3.97Å; L46-W219 HydrophobicContact CG-CE3 4.43Å; L46-W219 HydrophobicContact CG-CZ3 4.39Å; V209-W219 HydrophobicContact CG1-CG 4.36Å; G210-W219 PolarHBondContact O-NE1 3Å; R216-W219 HydrophobicContact CB-CD2 4.32Å; R216-W219 HydrophobicContact CG-CD2 4.36Å; R216-W219 HydrophobicContact CG-CH2 4.18Å; R216-W219 HydrophobicContact CG-CZ2 3.79Å; R216-W219 WeakPolarHBondContact O-CB 3.22Å; R216-W219 VanDerWaalsContact O-CG 3.31Å; R216-W219 PolarHBondContact O-N 3.17Å; R217-W219 VanDerWaalsContact C-N 3.32Å; W219-Q221 PolarHBondContact O-N 3.13Å; W219-Q221 VanDerWaalsContact O-N 3.11Å; W219-C222 PolarHBondContact O-N 2.81Å; W219-F223 HydrophobicContact CB-CE1 3.85Å; W219-F223 HydrophobicContact CB-CZ 4.06Å; W219-F223 WeakPolarHBondContact O-CD1 3.48Å; W219-F223 VanDerWaalsContact O-CE1 3.29Å; W219-F223 WeakPolarHBondContact O-CE1 3.43Å; W219-L257 HydrophobicContact CH2-CD1 3.72Å; W219-L257 HydrophobicContact CH2-CD2 3.58Å; W219-L257 HydrophobicContact CH2-CG 4.01Å; W219-L257 HydrophobicContact CZ3-CD1 3.6Å; W219-L257 HydrophobicContact CZ3-CD2 4.22Å; W219-L257 HydrophobicContact CZ3-CG 4.13Å; W219-I261 HydrophobicContact CE3-CD1 3.96Å; W219-I261 HydrophobicContact CZ3-CD1 3.91Å; W219-I261 HydrophobicContact CZ3-CG1 4.21Å
220	I	83.4	Confident	88.2	Confident	72 Å²	72	49.8 Å²	49.8	37%	0.369	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.4	-26	178.8	-167	58.9	0	0	0	112.6	K218 C222 F223 W266	K218-I220 VanDerWaalsContact C-N 3.27Å; K218-I220 PolarHBondContact O-N 3.24Å; I220-C222 PolarHBondContact O-N 2.83Å; I220-F223 HydrophobicContact CD1-CB 4.34Å; I220-F223 HydrophobicContact CD1-CD2 3.41Å; I220-F223 VanDerWaalsContact CD1-CD2 3.41Å; I220-F223 HydrophobicContact CD1-CE2 3.96Å; I220-F223 HydrophobicContact CD1-CG 4.12Å; I220-F223 PolarHBondContact O-N 3.06Å; I220-W266 HydrophobicContact CD1-CD2 3.68Å; I220-W266 HydrophobicContact CD1-CE3 3.55Å; I220-W266 HydrophobicContact CD1-CG 4.08Å; I220-W266 HydrophobicContact CD1-CZ3 4.08Å
221	Q	83.1	Confident	88.6	Confident	130 Å²	130	49.8 Å²	49.8	61%	0.607	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-67.6	-23.9	177.7	-57	174.6	3.7	0	0	111.9	I192 K218 W219	I192-Q221 HydrophobicContact CD1-CB 4.4Å; K218-Q221 WeakPolarHBondContact O-CB 3.49Å; K218-Q221 WeakPolarHBondContact O-CG 3.36Å; K218-Q221 PolarHBondContact O-N 2.98Å; W219-Q221 PolarHBondContact O-N 3.13Å; W219-Q221 VanDerWaalsContact O-N 3.11Å
222	C	84.4	Confident	89.1	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.074	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-98.7	-3.8	-179.8	-53.7	0	0	0	0	113.4	L44 I192 W219 I220 N224 V226	L44-C222 HydrophobicContact CD1-CB 3.57Å; L44-C222 HydrophobicContact CD2-CB 4.2Å; I192-C222 WeakPolarHBondContact CD1-SG 3.24Å; W219-C222 PolarHBondContact O-N 2.81Å; I220-C222 PolarHBondContact O-N 2.83Å; C222-N224 PolarHBondContact O-N 2.85Å; C222-V226 WeakPolarHBondContact O-CG2 3.21Å
223	F	83.5	Confident	89.5	Confident	19 Å²	19	47.2 Å²	47.2	8%	0.083	22%	0.217	C	C	.	.			trans	-75.9	-11.7	-175	-73.1	5.9	0	0	0	113.3	L44 L46 W219 I220 D225 I261 W266 L267	L44-F223 HydrophobicContact CD2-CD1 3.48Å; L44-F223 VanDerWaalsContact CD2-CD1 3.48Å; L44-F223 HydrophobicContact CD2-CE1 3.63Å; L46-F223 HydrophobicContact CD1-CE1 4.25Å; W219-F223 HydrophobicContact CB-CE1 3.85Å; W219-F223 HydrophobicContact CB-CZ 4.06Å; W219-F223 WeakPolarHBondContact O-CD1 3.48Å; W219-F223 VanDerWaalsContact O-CE1 3.29Å; W219-F223 WeakPolarHBondContact O-CE1 3.43Å; I220-F223 HydrophobicContact CD1-CB 4.34Å; I220-F223 HydrophobicContact CD1-CD2 3.41Å; I220-F223 VanDerWaalsContact CD1-CD2 3.41Å; I220-F223 HydrophobicContact CD1-CE2 3.96Å; I220-F223 HydrophobicContact CD1-CG 4.12Å; I220-F223 PolarHBondContact O-N 3.06Å; F223-D225 PolarHBondContact O-N 3Å; F223-I261 HydrophobicContact CZ-CD1 4.13Å; F223-W266 HydrophobicContact CD2-CB 4.2Å; F223-L267 HydrophobicContact CB-CD2 4.23Å; F223-L267 HydrophobicContact CD1-CD2 4.32Å; F223-L267 HydrophobicContact CD2-CD1 4.16Å; F223-L267 HydrophobicContact CD2-CD2 3.9Å; F223-L267 HydrophobicContact CD2-CG 4.01Å; F223-L267 HydrophobicContact CE1-CD1 4.32Å; F223-L267 HydrophobicContact CE2-CD1 3.75Å; F223-L267 HydrophobicContact CE2-CD2 4.35Å; F223-L267 HydrophobicContact CE2-CG 4.07Å; F223-L267 HydrophobicContact CG-CD2 3.91Å; F223-L267 HydrophobicContact CG-CG 4.5Å; F223-L267 HydrophobicContact CZ-CD1 3.84Å
224	N	77.8	Confident	89.9	Confident	130 Å²	130	43.6 Å²	43.6	70%	0.695	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	113.3	179.4	-73.5	-23.9	0	0	0	109.6	C222 V226	C222-N224 PolarHBondContact O-N 2.85Å; N224-V226 PolarHBondContact O-N 3.44Å
225	D	77.8	Confident	90.3	Very high	71 Å²	71	38.7 Å²	38.7	38%	0.38	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.6	152.5	-146.4	45.9	0	0	0	110.7	Y37 R42 F223	Y37-D225 WeakPolarHBondContact CE1-OD2 3.48Å; Y37-D225 PolarHBondContact OH-OD2 3.23Å; R42-D225 IonicContact CZ-OD2 3.51Å; R42-D225 VanDerWaalsContact CZ-OD2 3.25Å; R42-D225 PolarHBondContact NE-O 2.96Å; R42-D225 VanDerWaalsContact NH1-CG 3.34Å; R42-D225 PolarHBondContact NH1-O 3.36Å; R42-D225 IonicContact NH1-OD2 3.5Å; R42-D225 PolarHBondContact NH1-OD2 3.4Å; R42-D225 PolarHBondContact NH2-O 3.21Å; R42-D225 IonicContact NH2-OD1 3.93Å; R42-D225 IonicContact NH2-OD2 2.78Å; R42-D225 PolarHBondContact NH2-OD2 2.93Å; F223-D225 PolarHBondContact O-N 3Å
226	V	90.8	Very high	90.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	18%	0.178	C	C	.	.			trans	-64	136.4	174.2	178.1	0	0	0	0	110.8	R42 L44 C222 N224 A228 I229 I270	R42-V226 WeakPolarHBondContact O-CG1 3.31Å; L44-V226 HydrophobicContact CB-CG1 3.86Å; L44-V226 HydrophobicContact CB-CG2 4.12Å; L44-V226 HydrophobicContact CD2-CG2 4.42Å; C222-V226 WeakPolarHBondContact O-CG2 3.21Å; N224-V226 PolarHBondContact O-N 3.44Å; V226-A228 WeakPolarHBondContact CG1-O 3.19Å; V226-I229 HydrophobicContact CG1-CG1 4.47Å; V226-I270 HydrophobicContact CG1-CG2 4.5Å; V226-I270 WeakPolarHBondContact O-CD1 3.21Å
227	T	92.1	Very high	91.1	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	-75.4	-46.4	175.6	-52.8	0	0	0	0	111.1	R42 I368 M371 H372	R42-T227 PolarHBondContact N-OG1 2.77Å; R42-T227 WeakPolarHBondContact O-CB 3.42Å; R42-T227 PolarHBondContact O-N 3.41Å; T227-I368 HydrophobicContact CG2-CG2 4.01Å; T227-M371 HydrophobicContact CG2-CB 4.35Å; T227-H372 HydrophobicContact CG2-CB 3.76Å; T227-H372 PolarHBondContact OG1-ND1 3.39Å
228	A	93.5	Very high	91.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154.1	178.1	0	0	0	0	0	111.7	R42 L43 L44 V226 I273 I368 M371	R42-A228 PolarHBondContact O-N 3.08Å; L43-A228 WeakPolarHBondContact CA-O 3.4Å; L43-A228 HydrophobicContact CD2-CB 3.96Å; L44-A228 PolarHBondContact N-O 2.85Å; V226-A228 WeakPolarHBondContact CG1-O 3.19Å; A228-I273 HydrophobicContact CB-CD1 4.32Å; A228-I368 HydrophobicContact CB-CG1 4.5Å; A228-M371 HydrophobicContact CB-SD 3.84Å
229	I	95.8	Very high	92.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.9	171	-68.7	166.8	0	0	0	108.7	L44 L46 V226 F231 I261 L267 I270 S271 V272 I273	L44-I229 HydrophobicContact CB-CG1 4.41Å; L44-I229 WeakPolarHBondContact O-CA 3.11Å; L46-I229 HydrophobicContact CB-CG2 4.27Å; L46-I229 HydrophobicContact CD1-CD1 4.25Å; L46-I229 HydrophobicContact CD1-CG2 3.91Å; L46-I229 HydrophobicContact CG-CG2 4.1Å; V226-I229 HydrophobicContact CG1-CG1 4.47Å; I229-F231 HydrophobicContact CG2-CB 4.41Å; I229-I261 HydrophobicContact CD1-CG2 4.08Å; I229-L267 HydrophobicContact CD1-CD1 3.59Å; I229-L267 HydrophobicContact CD1-CD2 3.92Å; I229-L267 HydrophobicContact CD1-CG 4.21Å; I229-I270 HydrophobicContact CD1-CG2 4.02Å; I229-I270 HydrophobicContact CG1-CG2 3.92Å; I229-S271 PolarHBondContact N-O 3.31Å; I229-S271 VanDerWaalsContact N-O 3.12Å; I229-V272 HydrophobicContact CB-CG1 4.49Å; I229-V272 HydrophobicContact CB-CG2 4.32Å; I229-V272 HydrophobicContact CG2-CG1 4.21Å; I229-V272 CarbonylContact O-C 3.59Å; I229-V272 WeakPolarHBondContact O-CA 3.49Å; I229-I273 PolarHBondContact O-N 2.83Å
230	I	97.4	Very high	92.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.6	164.6	-59.7	177	0	0	0	107.2	L43 L44 L45 L46 M206 V232 I273 F275	L43-I230 HydrophobicContact CB-CD1 4.48Å; L43-I230 HydrophobicContact CD1-CD1 4.17Å; L44-I230 PolarHBondContact O-N 2.91Å; L45-I230 WeakPolarHBondContact CA-O 3.45Å; L45-I230 HydrophobicContact CG-CB 4.4Å; L46-I230 PolarHBondContact N-O 2.83Å; M206-I230 HydrophobicContact CE-CD1 4.49Å; I230-V232 HydrophobicContact CG2-CG2 4.13Å; I230-I273 CarbonylContact C-O 3.5Å; I230-I273 WeakPolarHBondContact CA-O 3.43Å; I230-I273 HydrophobicContact CG1-CB 4.37Å; I230-F275 HydrophobicContact CG2-CD1 4.29Å; I230-F275 HydrophobicContact CG2-CD2 3.59Å; I230-F275 HydrophobicContact CG2-CE1 4.4Å; I230-F275 HydrophobicContact CG2-CE2 3.72Å; I230-F275 HydrophobicContact CG2-CG 3.9Å; I230-F275 HydrophobicContact CG2-CZ 4.13Å
231	F	98.2	Very high	93.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.2	178	-166.6	-84.8	0	0	0	109.9	L46 I229 V233 L257 F258 I261 V272 I273 L274 F275 F330	L46-F231 HydrophobicContact CB-CD2 3.93Å; L46-F231 HydrophobicContact CB-CE2 4.4Å; L46-F231 CarbonylContact O-C 3.52Å; L46-F231 WeakPolarHBondContact O-CA 3.4Å; I229-F231 HydrophobicContact CG2-CB 4.41Å; F231-V233 HydrophobicContact CD1-CG2 3.79Å; F231-V233 HydrophobicContact CE1-CG2 3.78Å; F231-L257 HydrophobicContact CE2-CD2 4.14Å; F231-L257 HydrophobicContact CE2-CG 3.97Å; F231-L257 HydrophobicContact CZ-CB 4.13Å; F231-L257 HydrophobicContact CZ-CD2 3.96Å; F231-L257 HydrophobicContact CZ-CG 3.94Å; F231-F258 HydrophobicContact CB-CD2 4.34Å; F231-F258 HydrophobicContact CD1-CB 4.42Å; F231-F258 AromaticContact CD1-CD2 3.77Å; F231-F258 HydrophobicContact CD1-CD2 3.77Å; F231-F258 HydrophobicContact CD2-CD2 4.14Å; F231-F258 HydrophobicContact CE1-CB 3.83Å; F231-F258 HydrophobicContact CE1-CD2 4.05Å; F231-F258 HydrophobicContact CE1-CG 4.42Å; F231-F258 HydrophobicContact CE2-CB 4.22Å; F231-F258 HydrophobicContact CE2-CD2 4.4Å; F231-F258 AromaticContact CG-CD2 3.82Å; F231-F258 HydrophobicContact CG-CD2 3.82Å; F231-F258 HydrophobicContact CZ-CB 3.71Å; F231-F258 HydrophobicContact CZ-CD2 4.36Å; F231-I261 HydrophobicContact CE2-CG1 4.26Å; F231-V272 HydrophobicContact CB-CG1 3.63Å; F231-I273 PolarHBondContact N-O 3Å; F231-L274 HydrophobicContact CB-CD1 4.28Å; F231-L274 HydrophobicContact CD1-CD1 3.78Å; F231-L274 HydrophobicContact CG-CD1 4.46Å; F231-F275 PolarHBondContact O-N 3.34Å; F231-F330 HydrophobicContact CE1-CE1 4.14Å
232	V	98.6	Very high	93.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.9	-174.6	-166.4	0	0	0	0	110.6	L46 G47 S51 K53 I230 F275 N277	L46-V232 PolarHBondContact O-N 3.34Å; G47-V232 WeakPolarHBondContact CA-O 3.01Å; S51-V232 VanDerWaalsContact CB-O 3.26Å; S51-V232 WeakPolarHBondContact CB-O 3.44Å; S51-V232 VanDerWaalsContact O-CG1 3.28Å; S51-V232 WeakPolarHBondContact O-CG1 3.18Å; K53-V232 HydrophobicContact CG-CB 4.14Å; K53-V232 HydrophobicContact CG-CG2 3.99Å; I230-V232 HydrophobicContact CG2-CG2 4.13Å; V232-F275 HydrophobicContact CG1-CB 4.38Å; V232-F275 HydrophobicContact CG2-CB 4.4Å; V232-N277 HydrophobicContact CG1-CB 3.78Å
233	V	98.7	Very high	94.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.8	-178.9	-178.8	0	0	0	0	109.5	F231 S235 L251 A254 L274 F275 L276 N277 F330	F231-V233 HydrophobicContact CD1-CG2 3.79Å; F231-V233 HydrophobicContact CE1-CG2 3.78Å; V233-S235 PolarHBondContact O-N 2.61Å; V233-S235 VanDerWaalsContact O-N 3.17Å; V233-L251 HydrophobicContact CG1-CD1 3.87Å; V233-A254 HydrophobicContact CG1-CB 4.26Å; V233-L274 HydrophobicContact CG2-CD1 3.69Å; V233-F275 PolarHBondContact N-O 3Å; V233-L276 HydrophobicContact CB-CD2 4.31Å; V233-L276 HydrophobicContact CG2-CD2 4.43Å; V233-N277 VanDerWaalsContact O-CA 3.32Å; V233-N277 WeakPolarHBondContact O-CA 3.46Å; V233-N277 WeakPolarHBondContact O-CB 3.26Å; V233-N277 PolarHBondContact O-N 3.16Å; V233-F330 HydrophobicContact CB-CE2 4.46Å; V233-F330 HydrophobicContact CB-CZ 4.2Å; V233-F330 HydrophobicContact CG1-CE2 3.8Å; V233-F330 HydrophobicContact CG1-CZ 3.64Å; V233-F330 HydrophobicContact CG2-CD1 4.44Å; V233-F330 HydrophobicContact CG2-CE1 3.7Å; V233-F330 HydrophobicContact CG2-CE2 3.95Å; V233-F330 HydrophobicContact CG2-CZ 3.44Å; V233-F330 VanDerWaalsContact CG2-CZ 3.44Å
234	A	98.3	Very high	94.7	Very high	14 Å²	14	21.3 Å²	21.3	12%	0.116	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	87.3	166.4	0	0	0	0	0	109.8	S236 S237 K278	A234-S236 PolarHBondContact O-N 2.68Å; A234-S237 PolarHBondContact O-N 3.35Å; A234-S237 VanDerWaalsContact O-N 3.14Å; A234-K278 HydrophobicContact CB-CD 3.78Å
235	S	98.6	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-63.7	-29.9	-174.9	-60.9	0	0	0	0	112.8	V233 S237 N277 I326	V233-S235 PolarHBondContact O-N 2.61Å; V233-S235 VanDerWaalsContact O-N 3.17Å; S235-S237 PolarHBondContact O-N 3.11Å; S235-N277 WeakPolarHBondContact CB-O 3.32Å; S235-N277 PolarHBondContact N-O 2.82Å; S235-N277 PolarHBondContact OG-O 2.75Å; S235-I326 WeakPolarHBondContact O-CD1 3.43Å
236	S	98.3	Very high	96.2	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-72.5	-10	177.5	65.8	0	0	0	0	114.7	A234 Y238 K278 K285	A234-S236 PolarHBondContact O-N 2.68Å; S236-Y238 VanDerWaalsContact C-N 3.29Å; S236-Y238 PolarHBondContact O-N 2.96Å; S236-K278 WeakPolarHBondContact OG-CB 3.33Å; S236-K278 WeakPolarHBondContact OG-CD 3.32Å; S236-K285 PolarHBondContact O-NZ 3.47Å
237	S	98.1	Very high	96.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-89.8	20.9	-174.8	-63.5	0	0	0	0	114	A234 S235 N239 M240	A234-S237 PolarHBondContact O-N 3.35Å; A234-S237 VanDerWaalsContact O-N 3.14Å; S235-S237 PolarHBondContact O-N 3.11Å; S237-N239 PolarHBondContact O-N 3.44Å; S237-M240 PolarHBondContact O-N 3.28Å
238	Y	98.5	Very high	96.7	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22	-178.3	66.3	-98	0	0	0	114.2	S236 N249 L282 K285 S291 I293 Y296	S236-Y238 VanDerWaalsContact C-N 3.29Å; S236-Y238 PolarHBondContact O-N 2.96Å; Y238-N249 PolarHBondContact O-ND2 3.01Å; Y238-L282 HydrophobicContact CD1-CD1 3.99Å; Y238-L282 HydrophobicContact CE1-CD1 3.83Å; Y238-K285 HydrophobicContact CE1-CD 3.68Å; Y238-K285 HydrophobicContact CE1-CG 4.25Å; Y238-K285 HydrophobicContact CE2-CD 4.46Å; Y238-K285 WeakPolarHBondContact OH-CG 3.39Å; Y238-S291 WeakPolarHBondContact CE2-O 3.32Å; Y238-S291 PolarHBondContact OH-O 2.86Å; Y238-I293 HydrophobicContact CD1-CG1 4.12Å; Y238-I293 HydrophobicContact CD2-CB 4.45Å; Y238-I293 HydrophobicContact CD2-CG1 3.85Å; Y238-I293 HydrophobicContact CE1-CD1 4.41Å; Y238-I293 HydrophobicContact CE1-CG1 3.96Å; Y238-I293 HydrophobicContact CE2-CB 4.44Å; Y238-I293 HydrophobicContact CE2-CG1 3.68Å; Y238-I293 HydrophobicContact CG-CG1 4.07Å; Y238-Y296 HydrophobicContact CD2-CD2 4.08Å; Y238-Y296 HydrophobicContact CE2-CD2 4.35Å
239	N	98.3	Very high	97	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.048	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	11.7	-179.4	71.9	-28.9	0	0	0	113.8	N152 S237 K285 S291 Y296	N152-N239 WeakPolarHBondContact CB-ND2 3.45Å; N152-N239 PolarHBondContact ND2-O 3.35Å; S237-N239 PolarHBondContact O-N 3.44Å; N239-K285 PolarHBondContact OD1-NZ 2.88Å; N239-S291 WeakPolarHBondContact ND2-CB 3.31Å; N239-S291 PolarHBondContact ND2-OG 3.17Å; N239-Y296 HydrophobicContact CB-CD1 4.47Å; N239-Y296 HydrophobicContact CB-CD2 4.01Å; N239-Y296 HydrophobicContact CB-CE1 3.94Å; N239-Y296 HydrophobicContact CB-CE2 3.43Å; N239-Y296 VanDerWaalsContact CB-CE2 3.43Å
240	M	97.7	Very high	97.1	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.069	15%	0.151	C	C	.	.			trans	-119.1	157.8	-173	-61.5	176.2	77.9	0	0	111.7	N152 S237 N249 R250	N152-M240 HydrophobicContact CB-CG 4.14Å; S237-M240 PolarHBondContact O-N 3.28Å; M240-N249 CarbonylContact O-C 3.14Å; M240-N249 WeakPolarHBondContact O-CA 3.45Å; M240-R250 HydrophobicContact CB-CG 4.05Å; M240-R250 PolarHBondContact O-N 2.55Å
241	V	97.8	Very high	97.1	Very high	38 Å²	38	30.1 Å²	30.1	23%	0.23	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-106.2	153.5	172.4	-63	0	0	0	0	111.8	Q155 N246 Q247 T248 R250	Q155-V241 PolarHBondContact NE2-O 2.85Å; Q155-V241 PolarHBondContact OE1-O 2.95Å; V241-N246 WeakPolarHBondContact CG2-OD1 3.43Å; V241-Q247 WeakPolarHBondContact CG1-O 3.49Å; V241-T248 CarbonylContact C-O 3.56Å; V241-T248 VanDerWaalsContact CA-O 3.23Å; V241-T248 WeakPolarHBondContact CA-O 3.36Å; V241-R250 VanDerWaalsContact C-CG 3.44Å; V241-R250 WeakPolarHBondContact O-CG 3.39Å; V241-R250 PolarHBondContact O-NE 3.26Å
242	I	96.1	Very high	97.2	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.046	17%	0.167	C	C	.	.			trans	-69.5	153.4	178.7	65.4	175.2	0	0	0	111.2	Q155 E244 D245 N246 T248 R250 E253	Q155-I242 PolarHBondContact NE2-O 3.06Å; I242-E244 VanDerWaalsContact C-N 3.3Å; I242-E244 HydrophobicContact CD1-CB 4.26Å; I242-E244 PolarHBondContact O-N 3.49Å; I242-D245 WeakPolarHBondContact CG1-OD1 3.41Å; I242-N246 VanDerWaalsContact O-CA 3.32Å; I242-N246 WeakPolarHBondContact O-CA 3.24Å; I242-N246 PolarHBondContact O-N 2.62Å; I242-T248 HydrophobicContact CD1-CG2 4.44Å; I242-T248 PolarHBondContact N-O 3.34Å; I242-R250 HydrophobicContact CG2-CB 4.34Å; I242-R250 HydrophobicContact CG2-CG 3.85Å; I242-E253 HydrophobicContact CG2-CB 3.93Å; I242-E253 HydrophobicContact CG2-CG 4.09Å
243	R	93.4	Very high	97.1	Very high	72 Å²	72	34.2 Å²	34.2	27%	0.272	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.8	-179	-72.3	-178.1	179.3	-99	-4.5	112.4	E50 Q155 L156 R186 D245	E50-R243 IonicContact OE1-CZ 2.85Å; E50-R243 IonicContact OE1-NE 3.59Å; E50-R243 PolarHBondContact OE1-NE 3.38Å; E50-R243 IonicContact OE1-NH2 2.91Å; E50-R243 IonicContact OE2-NE 3.95Å; Q155-R243 HydrophobicContact CB-CG 4.25Å; Q155-R243 HydrophobicContact CG-CG 4.03Å; Q155-R243 PolarHBondContact O-NH2 3.25Å; L156-R243 PolarHBondContact O-NH2 3.31Å; R186-R243 VanDerWaalsContact NH2-NE 3.13Å; R243-D245 PolarHBondContact O-N 3.08Å
244	E	92.2	Very high	97.1	Very high	75 Å²	75	34.3 Å²	34.3	35%	0.35	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-30.7	-170	-65	97.1	132.4	0	0	114.5	Q212 R213 I242	Q212-E244 WeakPolarHBondContact CA-OE1 3.44Å; R213-E244 HydrophobicContact CB-CG 4.32Å; R213-E244 HydrophobicContact CG-CG 4.32Å; R213-E244 PolarHBondContact N-OE1 3.17Å; I242-E244 VanDerWaalsContact C-N 3.3Å; I242-E244 HydrophobicContact CD1-CB 4.26Å; I242-E244 PolarHBondContact O-N 3.49Å
245	D	94.4	Very high	97.1	Very high	54 Å²	54	34 Å²	34	29%	0.289	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-6.6	178.7	62.4	25.5	0	0	0	114.3	R213 I242 R243 Q247 T248	R213-D245 IonicContact CZ-OD2 2.68Å; R213-D245 IonicContact NH1-OD2 3.91Å; R213-D245 PolarHBondContact NH1-OD2 3.43Å; R213-D245 IonicContact NH2-OD2 2.96Å; R213-D245 PolarHBondContact NH2-OD2 3.5Å; I242-D245 WeakPolarHBondContact CG1-OD1 3.41Å; R243-D245 PolarHBondContact O-N 3.08Å; D245-Q247 PolarHBondContact O-N 3.32Å; D245-Q247 VanDerWaalsContact O-N 3.07Å; D245-Q247 PolarHBondContact OD1-N 3.02Å; D245-T248 PolarHBondContact OD1-N 3.39Å; D245-T248 PolarHBondContact OD1-OG1 2.88Å; D245-T248 WeakPolarHBondContact OD2-CB 3.31Å; D245-T248 PolarHBondContact OD2-OG1 3.04Å
246	N	94.6	Very high	97.1	Very high	94 Å²	94	37.7 Å²	37.7	50%	0.503	19%	0.187	S	C	.	.	S	Bend	trans	50.6	29.4	-176.6	-153.6	51	0	0	0	113.9	Q155 V241 I242	Q155-N246 PolarHBondContact NE2-OD1 2.81Å; V241-N246 WeakPolarHBondContact CG2-OD1 3.43Å; I242-N246 VanDerWaalsContact O-CA 3.32Å; I242-N246 WeakPolarHBondContact O-CA 3.24Å; I242-N246 PolarHBondContact O-N 2.62Å
247	Q	95.4	Very high	97	Very high	160 Å²	160	38.2 Å²	38.2	75%	0.748	19%	0.19	S	C	*	.			trans	-138.9	-43.6	-175.2	-172.3	-179.2	20.3	0	0	112.4	V241 D245 N249	V241-Q247 WeakPolarHBondContact CG1-O 3.49Å; D245-Q247 PolarHBondContact O-N 3.32Å; D245-Q247 VanDerWaalsContact O-N 3.07Å; D245-Q247 PolarHBondContact OD1-N 3.02Å; Q247-N249 PolarHBondContact O-N 3.39Å
248	T	97.6	Very high	97	Very high	35 Å²	35	38.2 Å²	38.2	22%	0.215	19%	0.189	C	C	.	.	S	Bend	trans	-74.7	126.2	-177.1	-57.2	0	0	0	0	110	R213 V241 I242 D245 R250 E253	R213-T248 PolarHBondContact NH2-OG1 2.9Å; V241-T248 CarbonylContact C-O 3.56Å; V241-T248 VanDerWaalsContact CA-O 3.23Å; V241-T248 WeakPolarHBondContact CA-O 3.36Å; I242-T248 HydrophobicContact CD1-CG2 4.44Å; I242-T248 PolarHBondContact N-O 3.34Å; D245-T248 PolarHBondContact OD1-N 3.39Å; D245-T248 PolarHBondContact OD1-OG1 2.88Å; D245-T248 WeakPolarHBondContact OD2-CB 3.31Å; D245-T248 PolarHBondContact OD2-OG1 3.04Å; T248-R250 PolarHBondContact O-N 2.68Å; T248-E253 HydrophobicContact CG2-CB 4.17Å
249	N	98.4	Very high	97	Very high	30 Å²	30	44.1 Å²	44.1	16%	0.16	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-58.2	134.7	175.2	-179.8	-80.5	0	0	0	111.7	Y238 M240 Q247 L251 Q252 E253	Y238-N249 PolarHBondContact O-ND2 3.01Å; M240-N249 CarbonylContact O-C 3.14Å; M240-N249 WeakPolarHBondContact O-CA 3.45Å; Q247-N249 PolarHBondContact O-N 3.39Å; N249-L251 PolarHBondContact O-N 3.4Å; N249-L251 WeakPolarHBondContact OD1-CA 3.37Å; N249-L251 WeakPolarHBondContact OD1-CB 3.47Å; N249-L251 PolarHBondContact OD1-N 3.1Å; N249-Q252 HydrophobicContact CB-CB 3.9Å; N249-Q252 PolarHBondContact O-N 3.06Å; N249-Q252 PolarHBondContact OD1-N 3.25Å; N249-E253 PolarHBondContact O-N 2.91Å
250	R	98.4	Very high	96.8	Very high	22 Å²	22	47.1 Å²	47.1	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-40.2	-175.6	-66.8	-169.5	176	-154.7	-4	113.2	E50 M240 V241 I242 T248 E253 A254	E50-R250 IonicContact OE2-CZ 2.69Å; E50-R250 VanDerWaalsContact OE2-CZ 3.26Å; E50-R250 IonicContact OE2-NH1 3.72Å; E50-R250 PolarHBondContact OE2-NH1 2.89Å; E50-R250 IonicContact OE2-NH2 3.33Å; E50-R250 PolarHBondContact OE2-NH2 3.45Å; M240-R250 HydrophobicContact CB-CG 4.05Å; M240-R250 PolarHBondContact O-N 2.55Å; V241-R250 VanDerWaalsContact C-CG 3.44Å; V241-R250 WeakPolarHBondContact O-CG 3.39Å; V241-R250 PolarHBondContact O-NE 3.26Å; I242-R250 HydrophobicContact CG2-CB 4.34Å; I242-R250 HydrophobicContact CG2-CG 3.85Å; T248-R250 PolarHBondContact O-N 2.68Å; R250-E253 PolarHBondContact O-N 2.78Å; R250-A254 PolarHBondContact O-N 3.48Å; R250-A254 VanDerWaalsContact O-N 3.08Å
251	L	98.5	Very high	96.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-38.8	178.3	-178.2	60	0	0	0	110.9	V233 N249 E253 A254 L255 F297 I326 F330	V233-L251 HydrophobicContact CG1-CD1 3.87Å; N249-L251 PolarHBondContact O-N 3.4Å; N249-L251 WeakPolarHBondContact OD1-CA 3.37Å; N249-L251 WeakPolarHBondContact OD1-CB 3.47Å; N249-L251 PolarHBondContact OD1-N 3.1Å; L251-E253 PolarHBondContact O-N 3.22Å; L251-A254 WeakPolarHBondContact O-CB 3.41Å; L251-A254 PolarHBondContact O-N 3.37Å; L251-A254 VanDerWaalsContact O-N 3.17Å; L251-L255 WeakPolarHBondContact O-CG 3.4Å; L251-L255 PolarHBondContact O-N 3.36Å; L251-F297 HydrophobicContact CB-CE2 4.12Å; L251-F297 HydrophobicContact CB-CZ 3.85Å; L251-F297 HydrophobicContact CD2-CD2 4.45Å; L251-F297 HydrophobicContact CD2-CE2 3.81Å; L251-F297 HydrophobicContact CD2-CZ 3.85Å; L251-F297 HydrophobicContact CG-CE2 4.3Å; L251-F297 HydrophobicContact CG-CZ 3.92Å; L251-I326 HydrophobicContact CD1-CG2 4.01Å; L251-I326 HydrophobicContact CD2-CD1 4.35Å; L251-I326 HydrophobicContact CD2-CG1 4.12Å; L251-I326 HydrophobicContact CD2-CG2 4.31Å; L251-F330 HydrophobicContact CD1-CE2 3.99Å; L251-F330 HydrophobicContact CD1-CZ 4.2Å
252	Q	98.5	Very high	96.5	Very high	73 Å²	73	45.2 Å²	45.2	34%	0.341	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-41.9	173.3	-172.8	59.8	57.5	0	0	112.2	N249 A254 L255 N256	N249-Q252 HydrophobicContact CB-CB 3.9Å; N249-Q252 PolarHBondContact O-N 3.06Å; N249-Q252 PolarHBondContact OD1-N 3.25Å; Q252-A254 VanDerWaalsContact C-N 3.29Å; Q252-A254 PolarHBondContact O-N 3.09Å; Q252-L255 PolarHBondContact O-N 2.79Å; Q252-N256 PolarHBondContact NE2-OD1 3.31Å; Q252-N256 WeakPolarHBondContact O-CB 3.37Å; Q252-N256 PolarHBondContact O-N 2.98Å; Q252-N256 PolarHBondContact O-ND2 3.35Å
253	E	97.9	Very high	96.4	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-41.1	173.7	-179.2	73.6	175.1	0	0	111	R213 R216 I242 T248 N249 R250 L251 N256 L257	R213-E253 IonicContact CZ-OE1 3.98Å; R213-E253 IonicContact CZ-OE2 2.75Å; R213-E253 IonicContact NE-OE1 2.95Å; R213-E253 PolarHBondContact NE-OE1 3.03Å; R213-E253 VanDerWaalsContact NE-OE1 3.1Å; R213-E253 IonicContact NE-OE2 3.68Å; R213-E253 IonicContact NH2-OE1 2.64Å; R213-E253 IonicContact NH2-OE2 2.85Å; R213-E253 PolarHBondContact NH2-OE2 2.89Å; R216-E253 IonicContact CZ-OE1 3.1Å; R216-E253 IonicContact NH1-OE1 3.51Å; R216-E253 PolarHBondContact NH1-OE1 3.15Å; R216-E253 IonicContact NH2-OE1 3.25Å; R216-E253 PolarHBondContact NH2-OE1 3.37Å; I242-E253 HydrophobicContact CG2-CB 3.93Å; I242-E253 HydrophobicContact CG2-CG 4.09Å; T248-E253 HydrophobicContact CG2-CB 4.17Å; N249-E253 PolarHBondContact O-N 2.91Å; R250-E253 PolarHBondContact O-N 2.78Å; L251-E253 PolarHBondContact O-N 3.22Å; E253-N256 PolarHBondContact O-N 3.1Å; E253-L257 WeakPolarHBondContact O-CB 3.23Å; E253-L257 PolarHBondContact O-N 3.5Å
254	A	98.5	Very high	96.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-41.1	176.2	0	0	0	0	0	112.4	V233 R250 L251 Q252 L257 F258 F330	V233-A254 HydrophobicContact CG1-CB 4.26Å; R250-A254 PolarHBondContact O-N 3.48Å; R250-A254 VanDerWaalsContact O-N 3.08Å; L251-A254 WeakPolarHBondContact O-CB 3.41Å; L251-A254 PolarHBondContact O-N 3.37Å; L251-A254 VanDerWaalsContact O-N 3.17Å; Q252-A254 VanDerWaalsContact C-N 3.29Å; Q252-A254 PolarHBondContact O-N 3.09Å; A254-L257 PolarHBondContact O-N 2.92Å; A254-F258 WeakPolarHBondContact O-CB 2.99Å; A254-F258 PolarHBondContact O-N 2.96Å; A254-F330 HydrophobicContact CB-CZ 4.06Å
255	L	98.7	Very high	96.2	Very high	8 Å²	8	51 Å²	51	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-45.9	174.2	-72.1	166.9	0	0	0	111.7	L251 Q252 L257 F258 K259 F297 E329 F330 I333	L251-L255 WeakPolarHBondContact O-CG 3.4Å; L251-L255 PolarHBondContact O-N 3.36Å; Q252-L255 PolarHBondContact O-N 2.79Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 3.14Å; L255-F258 PolarHBondContact O-N 3.09Å; L255-K259 WeakPolarHBondContact O-CB 3.33Å; L255-K259 PolarHBondContact O-N 2.86Å; L255-F297 HydrophobicContact CD1-CE1 4.29Å; L255-E329 HydrophobicContact CD1-CB 4.26Å; L255-E329 HydrophobicContact CD2-CB 3.73Å; L255-F330 HydrophobicContact CD2-CD1 3.9Å; L255-F330 HydrophobicContact CD2-CD2 3.82Å; L255-F330 HydrophobicContact CD2-CE1 3.82Å; L255-F330 HydrophobicContact CD2-CE2 3.72Å; L255-F330 HydrophobicContact CD2-CG 3.88Å; L255-F330 HydrophobicContact CD2-CZ 3.7Å; L255-F330 HydrophobicContact CG-CE1 4.34Å; L255-F330 HydrophobicContact CG-CE2 4.28Å; L255-F330 HydrophobicContact CG-CZ 4.01Å; L255-I333 HydrophobicContact CB-CD1 4.24Å; L255-I333 HydrophobicContact CD2-CD1 3.79Å
256	N	97.9	Very high	96	Very high	77 Å²	77	55.3 Å²	55.3	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-44.6	177.2	-68.7	-17	0	0	0	111.3	Q252 E253 K259 S260	Q252-N256 PolarHBondContact NE2-OD1 3.31Å; Q252-N256 WeakPolarHBondContact O-CB 3.37Å; Q252-N256 PolarHBondContact O-N 2.98Å; Q252-N256 PolarHBondContact O-ND2 3.35Å; E253-N256 PolarHBondContact O-N 3.1Å; N256-K259 PolarHBondContact O-N 3.19Å; N256-S260 PolarHBondContact O-N 3.2Å
257	L	97.1	Very high	95.8	Very high	14 Å²	14	51 Å²	51	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-45.6	178	-176	62.9	0	0	0	111.5	A48 W219 F231 E253 A254 L255 K259 S260 I261	A48-L257 HydrophobicContact CB-CD2 4.48Å; W219-L257 HydrophobicContact CH2-CD1 3.72Å; W219-L257 HydrophobicContact CH2-CD2 3.58Å; W219-L257 HydrophobicContact CH2-CG 4.01Å; W219-L257 HydrophobicContact CZ3-CD1 3.6Å; W219-L257 HydrophobicContact CZ3-CD2 4.22Å; W219-L257 HydrophobicContact CZ3-CG 4.13Å; F231-L257 HydrophobicContact CE2-CD2 4.14Å; F231-L257 HydrophobicContact CE2-CG 3.97Å; F231-L257 HydrophobicContact CZ-CB 4.13Å; F231-L257 HydrophobicContact CZ-CD2 3.96Å; F231-L257 HydrophobicContact CZ-CG 3.94Å; E253-L257 WeakPolarHBondContact O-CB 3.23Å; E253-L257 PolarHBondContact O-N 3.5Å; A254-L257 PolarHBondContact O-N 2.92Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 3.14Å; L257-K259 PolarHBondContact O-N 3.46Å; L257-S260 WeakPolarHBondContact O-CB 3.33Å; L257-S260 PolarHBondContact O-N 2.88Å; L257-S260 VanDerWaalsContact O-N 3.17Å; L257-I261 WeakPolarHBondContact O-CG1 3.32Å; L257-I261 PolarHBondContact O-N 3.15Å
258	F	97.9	Very high	95.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-45.2	176.1	-178.8	-99.6	0	0	0	111.4	F231 A254 L255 S260 I261 W262 V272 L274 F330 I333	F231-F258 HydrophobicContact CB-CD2 4.34Å; F231-F258 HydrophobicContact CD1-CB 4.42Å; F231-F258 AromaticContact CD1-CD2 3.77Å; F231-F258 HydrophobicContact CD1-CD2 3.77Å; F231-F258 HydrophobicContact CD2-CD2 4.14Å; F231-F258 HydrophobicContact CE1-CB 3.83Å; F231-F258 HydrophobicContact CE1-CD2 4.05Å; F231-F258 HydrophobicContact CE1-CG 4.42Å; F231-F258 HydrophobicContact CE2-CB 4.22Å; F231-F258 HydrophobicContact CE2-CD2 4.4Å; F231-F258 AromaticContact CG-CD2 3.82Å; F231-F258 HydrophobicContact CG-CD2 3.82Å; F231-F258 HydrophobicContact CZ-CB 3.71Å; F231-F258 HydrophobicContact CZ-CD2 4.36Å; A254-F258 WeakPolarHBondContact O-CB 2.99Å; A254-F258 PolarHBondContact O-N 2.96Å; L255-F258 PolarHBondContact O-N 3.09Å; F258-S260 VanDerWaalsContact C-N 3.28Å; F258-S260 PolarHBondContact O-N 3.06Å; F258-I261 PolarHBondContact O-N 2.97Å; F258-I261 VanDerWaalsContact O-N 3.1Å; F258-W262 HydrophobicContact CE1-CB 4.48Å; F258-W262 HydrophobicContact CZ-CE3 4.18Å; F258-W262 VanDerWaalsContact O-CB 3.31Å; F258-W262 WeakPolarHBondContact O-CB 3.49Å; F258-W262 PolarHBondContact O-N 2.99Å; F258-V272 HydrophobicContact CE2-CB 4.47Å; F258-V272 HydrophobicContact CE2-CG1 3.85Å; F258-L274 HydrophobicContact CD2-CD1 4.33Å; F258-L274 HydrophobicContact CE2-CD1 4.2Å; F258-F330 HydrophobicContact CB-CD1 3.72Å; F258-F330 HydrophobicContact CB-CE1 3.69Å; F258-F330 HydrophobicContact CD1-CB 4.5Å; F258-F330 AromaticContact CD1-CD1 3.72Å; F258-F330 HydrophobicContact CD1-CD1 3.72Å; F258-F330 AromaticContact CD2-CD1 3.99Å; F258-F330 HydrophobicContact CD2-CD1 3.99Å; F258-F330 HydrophobicContact CE1-CB 4.35Å; F258-F330 HydrophobicContact CE1-CD1 4.3Å; F258-F330 WeakPolarHBondContact CE1-O 3.41Å; F258-F330 AromaticContact CG-CD1 3.54Å; F258-F330 HydrophobicContact CG-CD1 3.54Å; F258-F330 HydrophobicContact CG-CE1 4.04Å; F258-I333 HydrophobicContact CD1-CB 4.01Å; F258-I333 HydrophobicContact CD1-CD1 4.03Å; F258-I333 HydrophobicContact CD1-CG2 3.82Å; F258-I333 HydrophobicContact CE1-CB 4.05Å; F258-I333 HydrophobicContact CE1-CG2 4Å
259	K	97.1	Very high	95.1	Very high	125 Å²	125	52.8 Å²	52.8	54%	0.543	25%	0.247	S	C	.	.	H	α-helix	trans	-58	-40.3	174.6	-173.7	175	-178.2	177	0	112.4	L255 N256 L257 N263 I333	L255-K259 WeakPolarHBondContact O-CB 3.33Å; L255-K259 PolarHBondContact O-N 2.86Å; N256-K259 PolarHBondContact O-N 3.19Å; L257-K259 PolarHBondContact O-N 3.46Å; K259-N263 WeakPolarHBondContact O-CB 3.48Å; K259-N263 PolarHBondContact O-N 2.79Å; K259-N263 VanDerWaalsContact O-N 3.17Å; K259-N263 PolarHBondContact O-ND2 3.46Å; K259-I333 HydrophobicContact CB-CD1 4.27Å; K259-I333 HydrophobicContact CB-CG2 3.84Å; K259-I333 HydrophobicContact CG-CG2 4Å
260	S	95.1	Very high	94.8	Very high	72 Å²	72	52.2 Å²	52.2	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-36.8	176.2	-176.1	0	0	0	0	112.7	N256 L257 F258 N264	N256-S260 PolarHBondContact O-N 3.2Å; L257-S260 WeakPolarHBondContact O-CB 3.33Å; L257-S260 PolarHBondContact O-N 2.88Å; L257-S260 VanDerWaalsContact O-N 3.17Å; F258-S260 VanDerWaalsContact C-N 3.28Å; F258-S260 PolarHBondContact O-N 3.06Å; S260-N264 WeakPolarHBondContact O-CB 3.29Å; S260-N264 PolarHBondContact O-N 3.25Å
261	I	94.3	Very high	94.5	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-46.9	178.1	-69.6	-56	0	0	0	110.9	L46 W219 F223 I229 F231 L257 F258 N263 N264 L267	L46-I261 HydrophobicContact CD1-CD1 3.7Å; L46-I261 HydrophobicContact CD1-CG1 4.02Å; L46-I261 HydrophobicContact CD1-CG2 4.13Å; W219-I261 HydrophobicContact CE3-CD1 3.96Å; W219-I261 HydrophobicContact CZ3-CD1 3.91Å; W219-I261 HydrophobicContact CZ3-CG1 4.21Å; F223-I261 HydrophobicContact CZ-CD1 4.13Å; I229-I261 HydrophobicContact CD1-CG2 4.08Å; F231-I261 HydrophobicContact CE2-CG1 4.26Å; L257-I261 WeakPolarHBondContact O-CG1 3.32Å; L257-I261 PolarHBondContact O-N 3.15Å; F258-I261 PolarHBondContact O-N 2.97Å; F258-I261 VanDerWaalsContact O-N 3.1Å; I261-N263 VanDerWaalsContact C-N 3.32Å; I261-N263 PolarHBondContact O-N 3.13Å; I261-N264 WeakPolarHBondContact O-CB 3.41Å; I261-N264 PolarHBondContact O-N 3.38Å; I261-N264 VanDerWaalsContact O-N 3.11Å; I261-L267 HydrophobicContact CD1-CD1 4.25Å; I261-L267 HydrophobicContact CG2-CD1 3.88Å
262	W	95.3	Very high	94.4	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-43.4	180	-173.9	-101.7	0	0	0	112.2	F258 N264 V272 I333 S334 S337 H342 C344	F258-W262 HydrophobicContact CE1-CB 4.48Å; F258-W262 HydrophobicContact CZ-CE3 4.18Å; F258-W262 VanDerWaalsContact O-CB 3.31Å; F258-W262 WeakPolarHBondContact O-CB 3.49Å; F258-W262 PolarHBondContact O-N 2.99Å; W262-N264 VanDerWaalsContact C-N 3.31Å; W262-N264 PolarHBondContact O-N 2.88Å; W262-V272 HydrophobicContact CE3-CB 4.5Å; W262-V272 HydrophobicContact CE3-CG2 3.98Å; W262-V272 HydrophobicContact CZ3-CB 4.32Å; W262-V272 HydrophobicContact CZ3-CG2 4.09Å; W262-I333 HydrophobicContact CB-CG2 4.48Å; W262-S334 VanDerWaalsContact CE2-CA 3.45Å; W262-S334 WeakPolarHBondContact CZ2-O 3.32Å; W262-S334 PolarHBondContact NE1-O 2.94Å; W262-S337 PolarHBondContact NE1-OG 3.37Å; W262-H342 AromaticContact CD2-CE1 3.96Å; W262-H342 AromaticContact CD2-NE2 3.87Å; W262-H342 AromaticContact CE2-NE2 3.47Å; W262-H342 AromaticContact CE3-CE1 3.96Å; W262-H342 AromaticContact CH2-CD2 3.67Å; W262-H342 AromaticContact CH2-NE2 3.71Å; W262-H342 AromaticContact CZ2-CD2 3.65Å; W262-H342 AromaticContact CZ2-NE2 3.41Å; W262-H342 WeakPolarHBondContact CZ2-NE2 3.4Å; W262-H342 PolarHBondContact O-CE1 3.34Å; W262-C344 HydrophobicContact CH2-CB 4.1Å; W262-C344 HydrophobicContact CZ3-CB 3.88Å
263	N	93	Very high	94.4	Very high	79 Å²	79	48.1 Å²	48.1	42%	0.422	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9.3	-179.4	-61.1	-66.8	0	0	0	113.6	K259 I261 R265 S337	K259-N263 WeakPolarHBondContact O-CB 3.48Å; K259-N263 PolarHBondContact O-N 2.79Å; K259-N263 VanDerWaalsContact O-N 3.17Å; K259-N263 PolarHBondContact O-ND2 3.46Å; I261-N263 VanDerWaalsContact C-N 3.32Å; I261-N263 PolarHBondContact O-N 3.13Å; N263-R265 PolarHBondContact O-N 3.08Å; N263-S337 PolarHBondContact OD1-OG 2.68Å; N263-S337 VanDerWaalsContact OD1-OG 3.08Å
264	N	91.7	Very high	94.4	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.139	22%	0.224	C	C	.	.			trans	-70	129.4	-176.8	-170.4	-68.2	0	0	0	111.2	S260 I261 W262 W266 L267 R268	S260-N264 WeakPolarHBondContact O-CB 3.29Å; S260-N264 PolarHBondContact O-N 3.25Å; I261-N264 WeakPolarHBondContact O-CB 3.41Å; I261-N264 PolarHBondContact O-N 3.38Å; I261-N264 VanDerWaalsContact O-N 3.11Å; W262-N264 VanDerWaalsContact C-N 3.31Å; W262-N264 PolarHBondContact O-N 2.88Å; N264-W266 PolarHBondContact O-N 2.81Å; N264-W266 WeakPolarHBondContact OD1-CB 3.43Å; N264-W266 PolarHBondContact OD1-N 2.89Å; N264-L267 HydrophobicContact CB-CB 4.16Å; N264-L267 HydrophobicContact CB-CD1 4Å; N264-L267 HydrophobicContact CB-CG 4.16Å; N264-L267 PolarHBondContact O-N 3.45Å; N264-R268 PolarHBondContact O-N 3.34Å
265	R	90.1	Very high	94.4	Very high	173 Å²	173	47.6 Å²	47.6	65%	0.653	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30	-179	64.4	175.9	149.4	-166.7	-10.1	114.6	N263 L267	N263-R265 PolarHBondContact O-N 3.08Å; R265-L267 VanDerWaalsContact C-N 3.32Å
266	W	89.7	Confident	94.4	Very high	144 Å²	144	47.2 Å²	47.2	55%	0.545	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.7	-179.6	-58	-73	0	0	0	112.7	I220 F223 N264	I220-W266 HydrophobicContact CD1-CD2 3.68Å; I220-W266 HydrophobicContact CD1-CE3 3.55Å; I220-W266 HydrophobicContact CD1-CG 4.08Å; I220-W266 HydrophobicContact CD1-CZ3 4.08Å; F223-W266 HydrophobicContact CD2-CB 4.2Å; N264-W266 PolarHBondContact O-N 2.81Å; N264-W266 WeakPolarHBondContact OD1-CB 3.43Å; N264-W266 PolarHBondContact OD1-N 2.89Å
267	L	90.8	Very high	94.5	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	20%	0.203	C	C	.	.	S	Bend	trans	-120.3	11	-173.9	-57.4	176	0	0	0	113.8	F223 I229 I261 N264 R265 T269 I270 H342	F223-L267 HydrophobicContact CB-CD2 4.23Å; F223-L267 HydrophobicContact CD1-CD2 4.32Å; F223-L267 HydrophobicContact CD2-CD1 4.16Å; F223-L267 HydrophobicContact CD2-CD2 3.9Å; F223-L267 HydrophobicContact CD2-CG 4.01Å; F223-L267 HydrophobicContact CE1-CD1 4.32Å; F223-L267 HydrophobicContact CE2-CD1 3.75Å; F223-L267 HydrophobicContact CE2-CD2 4.35Å; F223-L267 HydrophobicContact CE2-CG 4.07Å; F223-L267 HydrophobicContact CG-CD2 3.91Å; F223-L267 HydrophobicContact CG-CG 4.5Å; F223-L267 HydrophobicContact CZ-CD1 3.84Å; I229-L267 HydrophobicContact CD1-CD1 3.59Å; I229-L267 HydrophobicContact CD1-CD2 3.92Å; I229-L267 HydrophobicContact CD1-CG 4.21Å; I261-L267 HydrophobicContact CD1-CD1 4.25Å; I261-L267 HydrophobicContact CG2-CD1 3.88Å; N264-L267 HydrophobicContact CB-CB 4.16Å; N264-L267 HydrophobicContact CB-CD1 4Å; N264-L267 HydrophobicContact CB-CG 4.16Å; N264-L267 PolarHBondContact O-N 3.45Å; R265-L267 VanDerWaalsContact C-N 3.32Å; L267-T269 PolarHBondContact O-N 2.86Å; L267-I270 HydrophobicContact CB-CB 4.45Å; L267-I270 HydrophobicContact CD2-CB 4.46Å; L267-I270 HydrophobicContact CD2-CG1 4.15Å; L267-I270 PolarHBondContact O-N 3.44Å; L267-H342 PolarHBondContact O-ND1 3.33Å
268	R	87.9	Confident	94.5	Very high	137 Å²	137	43.8 Å²	43.8	52%	0.517	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22	-173.6	-71.5	-177.1	171.1	-179.6	-2.4	115.6	N264	N264-R268 PolarHBondContact O-N 3.34Å
269	T	89.4	Confident	94.5	Very high	95 Å²	95	45 Å²	45	58%	0.583	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-3.6	178.7	56.5	0	0	0	0	112.4	L267	L267-T269 PolarHBondContact O-N 2.86Å
270	I	92.1	Very high	94.5	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.097	20%	0.196	C	C	.	.			trans	-92.7	118.2	-175.9	-51	-52.6	0	0	0	108	V226 I229 L267 H342	V226-I270 HydrophobicContact CG1-CG2 4.5Å; V226-I270 WeakPolarHBondContact O-CD1 3.21Å; I229-I270 HydrophobicContact CD1-CG2 4.02Å; I229-I270 HydrophobicContact CG1-CG2 3.92Å; L267-I270 HydrophobicContact CB-CB 4.45Å; L267-I270 HydrophobicContact CD2-CB 4.46Å; L267-I270 HydrophobicContact CD2-CG1 4.15Å; L267-I270 PolarHBondContact O-N 3.44Å; I270-H342 PolarHBondContact O-ND1 2.98Å
271	S	93.6	Very high	94.6	Very high	8 Å²	8	40.5 Å²	40.5	6%	0.056	18%	0.184	C	C	.	.			trans	-76.4	154.6	177.4	-65.9	0	0	0	0	111.4	I229 Y343	I229-S271 PolarHBondContact N-O 3.31Å; I229-S271 VanDerWaalsContact N-O 3.12Å; S271-Y343 WeakPolarHBondContact CA-O 3.24Å; S271-Y343 VanDerWaalsContact CB-O 3.3Å; S271-Y343 WeakPolarHBondContact CB-O 3.36Å; S271-Y343 PolarHBondContact OG-N 3.23Å; S271-Y343 VanDerWaalsContact OG-N 3.11Å
272	V	96.4	Very high	94.8	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.1	-174.7	-174.7	0	0	0	0	109.8	I229 F231 F258 W262 Y343 C344 Y345	I229-V272 HydrophobicContact CB-CG1 4.49Å; I229-V272 HydrophobicContact CB-CG2 4.32Å; I229-V272 HydrophobicContact CG2-CG1 4.21Å; I229-V272 CarbonylContact O-C 3.59Å; I229-V272 WeakPolarHBondContact O-CA 3.49Å; F231-V272 HydrophobicContact CB-CG1 3.63Å; F258-V272 HydrophobicContact CE2-CB 4.47Å; F258-V272 HydrophobicContact CE2-CG1 3.85Å; W262-V272 HydrophobicContact CE3-CB 4.5Å; W262-V272 HydrophobicContact CE3-CG2 3.98Å; W262-V272 HydrophobicContact CZ3-CB 4.32Å; W262-V272 HydrophobicContact CZ3-CG2 4.09Å; V272-Y343 PolarHBondContact N-O 3.46Å; V272-C344 CarbonylContact O-C 3.58Å; V272-C344 VanDerWaalsContact O-CA 3.26Å; V272-C344 WeakPolarHBondContact O-CA 3.45Å; V272-Y345 PolarHBondContact O-N 3.38Å
273	I	97.9	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.5	166	-61.4	167.5	0	0	0	106.5	A228 I229 I230 F231 F275 C364 I368	A228-I273 HydrophobicContact CB-CD1 4.32Å; I229-I273 PolarHBondContact O-N 2.83Å; I230-I273 CarbonylContact C-O 3.5Å; I230-I273 WeakPolarHBondContact CA-O 3.43Å; I230-I273 HydrophobicContact CG1-CB 4.37Å; F231-I273 PolarHBondContact N-O 3Å; I273-F275 HydrophobicContact CG2-CD1 3.86Å; I273-F275 HydrophobicContact CG2-CE1 3.45Å; I273-F275 VanDerWaalsContact CG2-CE1 3.45Å; I273-F275 HydrophobicContact CG2-CZ 4.33Å; I273-C364 HydrophobicContact CD1-CB 4.11Å; I273-I368 HydrophobicContact CD1-CD1 3.93Å; I273-I368 HydrophobicContact CD1-CG1 3.7Å
274	L	98.5	Very high	95.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.2	-174.6	174.1	67.7	0	0	0	109.7	F231 V233 F258 L276 F330 Y345 P346 H347	F231-L274 HydrophobicContact CB-CD1 4.28Å; F231-L274 HydrophobicContact CD1-CD1 3.78Å; F231-L274 HydrophobicContact CG-CD1 4.46Å; V233-L274 HydrophobicContact CG2-CD1 3.69Å; F258-L274 HydrophobicContact CD2-CD1 4.33Å; F258-L274 HydrophobicContact CE2-CD1 4.2Å; L274-L276 HydrophobicContact CD2-CD2 4.21Å; L274-L276 HydrophobicContact CD2-CG 4.48Å; L274-L276 HydrophobicContact CG-CD2 4.29Å; L274-L276 HydrophobicContact CG-CG 4.37Å; L274-F330 HydrophobicContact CD1-CD1 4.12Å; L274-F330 HydrophobicContact CD1-CG 4.34Å; L274-F330 HydrophobicContact CD2-CB 3.42Å; L274-F330 VanDerWaalsContact CD2-CB 3.42Å; L274-F330 HydrophobicContact CD2-CD1 4.3Å; L274-F330 HydrophobicContact CD2-CD2 4.37Å; L274-F330 HydrophobicContact CD2-CG 3.79Å; L274-Y345 PolarHBondContact N-O 3.26Å; L274-P346 HydrophobicContact CD2-CB 4.36Å; L274-P346 CarbonylContact O-C 3.54Å; L274-P346 WeakPolarHBondContact O-CA 3.44Å; L274-H347 PolarHBondContact O-N 2.76Å
275	F	98.7	Very high	95.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	107	174.6	-77.6	5.7	0	0	0	110.1	I56 I230 F231 V232 V233 I273 N277 H347 T349 V360	I56-F275 HydrophobicContact CD1-CD2 4.04Å; I56-F275 HydrophobicContact CD1-CE2 4.13Å; I56-F275 HydrophobicContact CG1-CD2 4.31Å; I56-F275 HydrophobicContact CG2-CE2 4.4Å; I230-F275 HydrophobicContact CG2-CD1 4.29Å; I230-F275 HydrophobicContact CG2-CD2 3.59Å; I230-F275 HydrophobicContact CG2-CE1 4.4Å; I230-F275 HydrophobicContact CG2-CE2 3.72Å; I230-F275 HydrophobicContact CG2-CG 3.9Å; I230-F275 HydrophobicContact CG2-CZ 4.13Å; F231-F275 PolarHBondContact O-N 3.34Å; V232-F275 HydrophobicContact CG1-CB 4.38Å; V232-F275 HydrophobicContact CG2-CB 4.4Å; V233-F275 PolarHBondContact N-O 3Å; I273-F275 HydrophobicContact CG2-CD1 3.86Å; I273-F275 HydrophobicContact CG2-CE1 3.45Å; I273-F275 VanDerWaalsContact CG2-CE1 3.45Å; I273-F275 HydrophobicContact CG2-CZ 4.33Å; F275-N277 VanDerWaalsContact C-N 3.32Å; F275-N277 PolarHBondContact O-N 2.82Å; F275-N277 VanDerWaalsContact O-N 3.13Å; F275-H347 HydrophobicContact CD1-CB 4.1Å; F275-H347 HydrophobicContact CE1-CB 4.25Å; F275-T349 HydrophobicContact CB-CG2 4.12Å; F275-T349 HydrophobicContact CD1-CG2 3.86Å; F275-T349 HydrophobicContact CD2-CG2 4.08Å; F275-T349 HydrophobicContact CE1-CG2 4.26Å; F275-T349 HydrophobicContact CE2-CG2 4.46Å; F275-T349 HydrophobicContact CG-CG2 3.76Å; F275-V360 HydrophobicContact CD1-CG1 4.37Å; F275-V360 HydrophobicContact CE1-CG1 3.55Å; F275-V360 HydrophobicContact CZ-CG1 3.72Å
276	L	98.8	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	83	169.6	-61.8	170.5	0	0	0	107.6	V233 L274 Q279 I326 R327 F330 H347 F348 T349	V233-L276 HydrophobicContact CB-CD2 4.31Å; V233-L276 HydrophobicContact CG2-CD2 4.43Å; L274-L276 HydrophobicContact CD2-CD2 4.21Å; L274-L276 HydrophobicContact CD2-CG 4.48Å; L274-L276 HydrophobicContact CG-CD2 4.29Å; L274-L276 HydrophobicContact CG-CG 4.37Å; L276-Q279 WeakPolarHBondContact O-CG 3.37Å; L276-Q279 PolarHBondContact O-NE2 3.12Å; L276-I326 HydrophobicContact CD2-CG2 4.08Å; L276-R327 HydrophobicContact CD1-CB 3.51Å; L276-R327 HydrophobicContact CD1-CG 3.84Å; L276-F330 HydrophobicContact CD2-CD2 4.05Å; L276-F330 HydrophobicContact CD2-CE2 4.25Å; L276-H347 PolarHBondContact N-O 3.34Å; L276-F348 HydrophobicContact CB-CD1 3.96Å; L276-F348 HydrophobicContact CB-CE1 4.44Å; L276-F348 HydrophobicContact CD1-CD1 3.76Å; L276-F348 HydrophobicContact CD1-CE1 3.46Å; L276-F348 VanDerWaalsContact CD1-CE1 3.46Å; L276-F348 HydrophobicContact CD1-CZ 4.3Å; L276-T349 PolarHBondContact O-N 3.04Å
277	N	98.6	Very high	96.2	Very high	5 Å²	5	33 Å²	33	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	166.9	-170.8	-171.2	34.8	0	0	0	112.5	S51 V232 V233 S235 F275 T349 A351	S51-N277 PolarHBondContact O-ND2 3.05Å; V232-N277 HydrophobicContact CG1-CB 3.78Å; V233-N277 VanDerWaalsContact O-CA 3.32Å; V233-N277 WeakPolarHBondContact O-CA 3.46Å; V233-N277 WeakPolarHBondContact O-CB 3.26Å; V233-N277 PolarHBondContact O-N 3.16Å; S235-N277 WeakPolarHBondContact CB-O 3.32Å; S235-N277 PolarHBondContact N-O 2.82Å; S235-N277 PolarHBondContact OG-O 2.75Å; F275-N277 VanDerWaalsContact C-N 3.32Å; F275-N277 PolarHBondContact O-N 2.82Å; F275-N277 VanDerWaalsContact O-N 3.13Å; N277-T349 CarbonylContact C-O 3.57Å; N277-T349 VanDerWaalsContact CA-O 3.26Å; N277-T349 WeakPolarHBondContact CA-O 3.24Å; N277-T349 VanDerWaalsContact CA-OG1 3.29Å; N277-T349 WeakPolarHBondContact CA-OG1 3.42Å; N277-T349 PolarHBondContact OD1-O 3.35Å; N277-A351 VanDerWaalsContact OD1-CB 3.29Å; N277-A351 WeakPolarHBondContact OD1-CB 3.47Å; N277-A351 PolarHBondContact OD1-N 3.31Å
278	K	98.2	Very high	96.5	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.065	19%	0.188	C	C	.	.			trans	66.1	40.9	180	-49.2	-176.5	-175.4	179.1	0	112.8	E50 D158 A234 S236 D280 L281 L282 T349	E50-K278 WeakPolarHBondContact O-CE 3.36Å; E50-K278 PolarHBondContact O-NZ 2.85Å; D158-K278 IonicContact OD1-NZ 2.93Å; D158-K278 WeakPolarHBondContact OD2-CE 3.36Å; D158-K278 IonicContact OD2-NZ 3.79Å; D158-K278 PolarHBondContact OD2-NZ 2.93Å; A234-K278 HydrophobicContact CB-CD 3.78Å; S236-K278 WeakPolarHBondContact OG-CB 3.33Å; S236-K278 WeakPolarHBondContact OG-CD 3.32Å; K278-D280 VanDerWaalsContact C-OD1 3.31Å; K278-D280 WeakPolarHBondContact CA-OD1 3.44Å; K278-D280 PolarHBondContact O-N 3.06Å; K278-L281 HydrophobicContact CB-CB 4.36Å; K278-L281 HydrophobicContact CB-CD1 4.36Å; K278-L281 HydrophobicContact CD-CD1 4.21Å; K278-L281 PolarHBondContact O-N 2.88Å; K278-L282 WeakPolarHBondContact O-CB 3.4Å; K278-L282 PolarHBondContact O-N 2.82Å; K278-T349 PolarHBondContact N-O 3.48Å; K278-T349 VanDerWaalsContact N-O 3.15Å
279	Q	98.5	Very high	96.9	Very high	25 Å²	25	31 Å²	31	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-31.6	178.1	-65.8	-59.4	-53.4	0	0	112.8	L276 L282 A283 F348 T349	L276-Q279 WeakPolarHBondContact O-CG 3.37Å; L276-Q279 PolarHBondContact O-NE2 3.12Å; Q279-L282 PolarHBondContact O-N 2.96Å; Q279-A283 WeakPolarHBondContact O-CB 3.31Å; Q279-A283 PolarHBondContact O-N 3.35Å; Q279-F348 HydrophobicContact CG-CB 4Å; Q279-T349 WeakPolarHBondContact CG-O 3.46Å; Q279-T349 PolarHBondContact N-O 3.4Å
280	D	96.4	Very high	97.2	Very high	55 Å²	55	33 Å²	33	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-55	171.6	54.4	-39	0	0	0	111.4	K278 L282 A283 E284 C350	K278-D280 VanDerWaalsContact C-OD1 3.31Å; K278-D280 WeakPolarHBondContact CA-OD1 3.44Å; K278-D280 PolarHBondContact O-N 3.06Å; D280-L282 VanDerWaalsContact C-N 3.32Å; D280-L282 PolarHBondContact O-N 3.44Å; D280-A283 PolarHBondContact O-N 3.3Å; D280-E284 PolarHBondContact O-N 3.09Å; D280-E284 VanDerWaalsContact O-N 3.07Å; D280-C350 PolarHBondContact OD1-SG 3.16Å; D280-C350 VanDerWaalsContact OD1-SG 3.32Å
281	L	97.1	Very high	97.4	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.246	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-29	179.7	-61.3	177.8	0	0	0	112.7	D158 K278 K285	D158-L281 HydrophobicContact CB-CD1 4.38Å; K278-L281 HydrophobicContact CB-CB 4.36Å; K278-L281 HydrophobicContact CB-CD1 4.36Å; K278-L281 HydrophobicContact CD-CD1 4.21Å; K278-L281 PolarHBondContact O-N 2.88Å; L281-K285 VanDerWaalsContact O-CB 3.25Å; L281-K285 WeakPolarHBondContact O-CB 3.5Å; L281-K285 PolarHBondContact O-N 3.44Å; L281-K285 VanDerWaalsContact O-N 3.11Å
282	L	98.6	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-47.1	174.5	176.8	63.5	0	0	0	110.3	Y238 K278 Q279 D280 K285 V286 K323 I326	Y238-L282 HydrophobicContact CD1-CD1 3.99Å; Y238-L282 HydrophobicContact CE1-CD1 3.83Å; K278-L282 WeakPolarHBondContact O-CB 3.4Å; K278-L282 PolarHBondContact O-N 2.82Å; Q279-L282 PolarHBondContact O-N 2.96Å; D280-L282 VanDerWaalsContact C-N 3.32Å; D280-L282 PolarHBondContact O-N 3.44Å; L282-K285 PolarHBondContact O-N 3.36Å; L282-V286 HydrophobicContact CD1-CG2 3.89Å; L282-V286 HydrophobicContact CG-CG2 4.35Å; L282-V286 WeakPolarHBondContact O-CB 3.42Å; L282-V286 WeakPolarHBondContact O-CG2 3.44Å; L282-V286 PolarHBondContact O-N 2.81Å; L282-K323 HydrophobicContact CD2-CB 3.8Å; L282-I326 HydrophobicContact CD1-CD1 4.01Å; L282-I326 HydrophobicContact CD2-CD1 4Å
283	A	98.2	Very high	97.7	Very high	26 Å²	26	37.8 Å²	37.8	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-49.7	178.7	0	0	0	0	0	111.1	Q279 D280 K285 V286 L287 V319	Q279-A283 WeakPolarHBondContact O-CB 3.31Å; Q279-A283 PolarHBondContact O-N 3.35Å; D280-A283 PolarHBondContact O-N 3.3Å; A283-K285 PolarHBondContact O-N 2.82Å; A283-V286 PolarHBondContact O-N 2.77Å; A283-L287 WeakPolarHBondContact O-CB 3.4Å; A283-L287 WeakPolarHBondContact O-CG 3.33Å; A283-L287 PolarHBondContact O-N 2.85Å; A283-V319 HydrophobicContact CB-CG1 3.81Å; A283-V319 HydrophobicContact CB-CG2 4.03Å
284	E	96.8	Very high	97.7	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	22%	0.22	S	C	.	.	H	α-helix	trans	-54	-50.8	176.8	-175.5	-175.8	167.4	0	0	111.8	D280 V286 L287 A288	D280-E284 PolarHBondContact O-N 3.09Å; D280-E284 VanDerWaalsContact O-N 3.07Å; E284-V286 PolarHBondContact O-N 2.96Å; E284-L287 PolarHBondContact O-N 3.22Å; E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 2.84Å
285	K	97.8	Very high	97.7	Very high	48 Å²	48	46.1 Å²	46.1	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-40.4	-176.5	-165.6	178.4	-71.7	-175.4	0	113.1	S236 Y238 N239 L281 L282 A283 G289	S236-K285 PolarHBondContact O-NZ 3.47Å; Y238-K285 HydrophobicContact CE1-CD 3.68Å; Y238-K285 HydrophobicContact CE1-CG 4.25Å; Y238-K285 HydrophobicContact CE2-CD 4.46Å; Y238-K285 WeakPolarHBondContact OH-CG 3.39Å; N239-K285 PolarHBondContact OD1-NZ 2.88Å; L281-K285 VanDerWaalsContact O-CB 3.25Å; L281-K285 WeakPolarHBondContact O-CB 3.5Å; L281-K285 PolarHBondContact O-N 3.44Å; L281-K285 VanDerWaalsContact O-N 3.11Å; L282-K285 PolarHBondContact O-N 3.36Å; A283-K285 PolarHBondContact O-N 2.82Å; K285-G289 PolarHBondContact O-N 2.94Å
286	V	98.3	Very high	97.7	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-43.7	177	168.3	0	0	0	0	110.7	L282 A283 E284 G289 I293 R318 V319 A322	L282-V286 HydrophobicContact CD1-CG2 3.89Å; L282-V286 HydrophobicContact CG-CG2 4.35Å; L282-V286 WeakPolarHBondContact O-CB 3.42Å; L282-V286 WeakPolarHBondContact O-CG2 3.44Å; L282-V286 PolarHBondContact O-N 2.81Å; A283-V286 PolarHBondContact O-N 2.77Å; E284-V286 PolarHBondContact O-N 2.96Å; V286-G289 PolarHBondContact O-N 2.83Å; V286-I293 HydrophobicContact CG2-CD1 4.2Å; V286-R318 HydrophobicContact CG1-CB 4.04Å; V286-V319 HydrophobicContact CG1-CG2 4.35Å; V286-A322 HydrophobicContact CG1-CB 4.26Å; V286-A322 HydrophobicContact CG2-CB 3.68Å
287	L	98.1	Very high	97.7	Very high	74 Å²	74	50.5 Å²	50.5	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-71.3	-32.7	-179	-67.6	175.8	0	0	0	112.7	A283 E284 G289 D316 V319	A283-L287 WeakPolarHBondContact O-CB 3.4Å; A283-L287 WeakPolarHBondContact O-CG 3.33Å; A283-L287 PolarHBondContact O-N 2.85Å; E284-L287 PolarHBondContact O-N 3.22Å; L287-G289 PolarHBondContact O-N 2.93Å; L287-D316 HydrophobicContact CD2-CB 3.81Å; L287-V319 HydrophobicContact CD1-CG2 4.14Å; L287-V319 HydrophobicContact CD2-CG2 3.93Å; L287-V319 HydrophobicContact CG-CG2 3.81Å
288	A	96.9	Very high	97.7	Very high	56 Å²	56	54.5 Å²	54.5	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-28.4	174.3	0	0	0	0	0	112.7	E284 K290	E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 2.84Å; A288-K290 HydrophobicContact CB-CG 4.48Å; A288-K290 PolarHBondContact O-N 2.93Å; A288-K290 VanDerWaalsContact O-N 3.09Å
289	G	95.8	Very high	97.7	Very high	42 Å²	42	56.9 Å²	56.9	43%	0.433	30%	0.303	S	S	.	.			trans	67.8	7.9	173.9	0	0	0	0	0	115.6	K285 V286 L287	K285-G289 PolarHBondContact O-N 2.94Å; V286-G289 PolarHBondContact O-N 2.83Å; L287-G289 PolarHBondContact O-N 2.93Å
290	K	95.1	Very high	97.7	Very high	137 Å²	137	56.2 Å²	56.2	60%	0.596	30%	0.3	S	S	*	.	S	Bend	trans	-77	-36.5	-178.7	-62.4	-177.7	-176.5	177.1	0	113.4	E149 A288	E149-K290 VanDerWaalsContact CD-NZ 3.32Å; E149-K290 IonicContact OE2-NZ 2.64Å; E149-K290 PolarHBondContact OE2-NZ 2.89Å; A288-K290 HydrophobicContact CB-CG 4.48Å; A288-K290 PolarHBondContact O-N 2.93Å; A288-K290 VanDerWaalsContact O-N 3.09Å
291	S	96.6	Very high	97.7	Very high	17 Å²	17	56.6 Å²	56.6	12%	0.119	31%	0.31	C	S	.	.	S	Bend	trans	-123.4	104.9	175.6	-60.3	0	0	0	0	109.3	Y238 N239	Y238-S291 WeakPolarHBondContact CE2-O 3.32Å; Y238-S291 PolarHBondContact OH-O 2.86Å; N239-S291 WeakPolarHBondContact ND2-CB 3.31Å; N239-S291 PolarHBondContact ND2-OG 3.17Å
292	K	98.1	Very high	97.8	Very high	110 Å²	110	64.1 Å²	64.1	48%	0.478	34%	0.336	S	S	.	.			trans	-83.1	145.7	-177.5	-53.5	-177.2	-179.2	175.9	0	110.3	E294 D295 Y296	K292-E294 VanDerWaalsContact C-N 3.28Å; K292-E294 HydrophobicContact CB-CG 4.08Å; K292-E294 PolarHBondContact O-N 3.47Å; K292-D295 WeakPolarHBondContact CB-OD2 3.48Å; K292-D295 PolarHBondContact N-OD2 3.43Å; K292-D295 PolarHBondContact O-N 3.33Å; K292-Y296 VanDerWaalsContact O-CD2 3.3Å; K292-Y296 WeakPolarHBondContact O-CD2 3.35Å
293	I	98.7	Very high	97.8	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-64.4	-38.3	-178	-67.1	174.3	0	0	0	110.2	Y238 V286 D295 Y296 F297 F300 A322 F325	Y238-I293 HydrophobicContact CD1-CG1 4.12Å; Y238-I293 HydrophobicContact CD2-CB 4.45Å; Y238-I293 HydrophobicContact CD2-CG1 3.85Å; Y238-I293 HydrophobicContact CE1-CD1 4.41Å; Y238-I293 HydrophobicContact CE1-CG1 3.96Å; Y238-I293 HydrophobicContact CE2-CB 4.44Å; Y238-I293 HydrophobicContact CE2-CG1 3.68Å; Y238-I293 HydrophobicContact CG-CG1 4.07Å; V286-I293 HydrophobicContact CG2-CD1 4.2Å; I293-D295 PolarHBondContact O-N 3.1Å; I293-D295 VanDerWaalsContact O-N 3.16Å; I293-Y296 PolarHBondContact O-N 2.97Å; I293-F297 HydrophobicContact CG2-CB 4.18Å; I293-F297 PolarHBondContact O-N 3.17Å; I293-F300 HydrophobicContact CB-CB 4.43Å; I293-F300 HydrophobicContact CB-CD1 3.6Å; I293-F300 HydrophobicContact CB-CE1 3.91Å; I293-F300 HydrophobicContact CB-CG 3.97Å; I293-F300 HydrophobicContact CD1-CE1 4.31Å; I293-F300 HydrophobicContact CD1-CE2 4.45Å; I293-F300 HydrophobicContact CD1-CZ 4.17Å; I293-F300 HydrophobicContact CG2-CB 3.75Å; I293-F300 HydrophobicContact CG2-CD1 3.84Å; I293-F300 HydrophobicContact CG2-CD2 4.17Å; I293-F300 HydrophobicContact CG2-CE1 4.46Å; I293-F300 HydrophobicContact CG2-CG 3.64Å; I293-A322 HydrophobicContact CD1-CB 3.51Å; I293-F325 HydrophobicContact CG2-CD1 4Å; I293-F325 HydrophobicContact CG2-CE1 3.86Å
294	E	98.4	Very high	97.8	Very high	63 Å²	63	69.7 Å²	69.7	29%	0.294	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.4	179.7	58.8	-94.6	-141.7	0	0	114.8	K292 Y296 F297 P298 F300 A301	K292-E294 VanDerWaalsContact C-N 3.28Å; K292-E294 HydrophobicContact CB-CG 4.08Å; K292-E294 PolarHBondContact O-N 3.47Å; E294-Y296 VanDerWaalsContact C-N 3.25Å; E294-Y296 PolarHBondContact O-N 2.8Å; E294-F297 WeakPolarHBondContact CA-O 3.41Å; E294-P298 WeakPolarHBondContact O-CA 3.41Å; E294-F300 HydrophobicContact CB-CD1 4.35Å; E294-F300 VanDerWaalsContact OE2-CD1 3.29Å; E294-F300 WeakPolarHBondContact OE2-CD1 3.42Å; E294-A301 HydrophobicContact CB-CB 4.14Å
295	D	98.3	Very high	97.8	Very high	111 Å²	111	67.6 Å²	67.6	59%	0.594	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-72.8	-22.4	174.6	-58.6	-32.3	0	0	0	111.7	K292 I293	K292-D295 WeakPolarHBondContact CB-OD2 3.48Å; K292-D295 PolarHBondContact N-OD2 3.43Å; K292-D295 PolarHBondContact O-N 3.33Å; I293-D295 PolarHBondContact O-N 3.1Å; I293-D295 VanDerWaalsContact O-N 3.16Å
296	Y	98.4	Very high	97.8	Very high	90 Å²	90	66.7 Å²	66.7	35%	0.353	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-32.4	-179.1	-57.8	-89.7	0	0	0	112.6	Y238 N239 K292 I293 E294	Y238-Y296 HydrophobicContact CD2-CD2 4.08Å; Y238-Y296 HydrophobicContact CE2-CD2 4.35Å; N239-Y296 HydrophobicContact CB-CD1 4.47Å; N239-Y296 HydrophobicContact CB-CD2 4.01Å; N239-Y296 HydrophobicContact CB-CE1 3.94Å; N239-Y296 HydrophobicContact CB-CE2 3.43Å; N239-Y296 VanDerWaalsContact CB-CE2 3.43Å; K292-Y296 VanDerWaalsContact O-CD2 3.3Å; K292-Y296 WeakPolarHBondContact O-CD2 3.35Å; I293-Y296 PolarHBondContact O-N 2.97Å; E294-Y296 VanDerWaalsContact C-N 3.25Å; E294-Y296 PolarHBondContact O-N 2.8Å
297	F	98.6	Very high	97.6	Very high	7 Å²	7	75.3 Å²	75.3	3%	0.031	40%	0.396	C	S	.	.			trans	-130.7	81.8	-179.6	-67.5	-89.6	0	0	0	109.1	L251 L255 I293 E294 E299 F300 F325	L251-F297 HydrophobicContact CB-CE2 4.12Å; L251-F297 HydrophobicContact CB-CZ 3.85Å; L251-F297 HydrophobicContact CD2-CD2 4.45Å; L251-F297 HydrophobicContact CD2-CE2 3.81Å; L251-F297 HydrophobicContact CD2-CZ 3.85Å; L251-F297 HydrophobicContact CG-CE2 4.3Å; L251-F297 HydrophobicContact CG-CZ 3.92Å; L255-F297 HydrophobicContact CD1-CE1 4.29Å; I293-F297 HydrophobicContact CG2-CB 4.18Å; I293-F297 PolarHBondContact O-N 3.17Å; E294-F297 WeakPolarHBondContact CA-O 3.41Å; F297-E299 WeakPolarHBondContact CD1-OE1 3.19Å; F297-E299 PolarHBondContact O-N 3.21Å; F297-F300 VanDerWaalsContact O-CB 3.25Å; F297-F300 WeakPolarHBondContact O-CB 3.47Å; F297-F300 PolarHBondContact O-N 3.27Å; F297-F325 HydrophobicContact CB-CE1 3.88Å; F297-F325 HydrophobicContact CB-CZ 3.89Å; F297-F325 HydrophobicContact CG-CE1 4.27Å; F297-F325 HydrophobicContact CG-CZ 4.48Å
298	P	98.6	Very high	97.4	Very high	89 Å²	89	77 Å²	77	58%	0.578	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-57.3	-26.9	-170.4	-27.6	36.2	0	0	0	115.2	E294 F300 A301	E294-P298 WeakPolarHBondContact O-CA 3.41Å; P298-F300 PolarHBondContact O-N 3.37Å; P298-A301 WeakPolarHBondContact O-CB 3.44Å; P298-A301 PolarHBondContact O-N 2.64Å
299	E	97.8	Very high	97.3	Very high	64 Å²	64	75.3 Å²	75.3	30%	0.299	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25.1	174.7	64.1	-82.9	-168.4	0	0	113.4	F297 A301 R302 Y303 F325	F297-E299 WeakPolarHBondContact CD1-OE1 3.19Å; F297-E299 PolarHBondContact O-N 3.21Å; E299-A301 PolarHBondContact O-N 3.45Å; E299-R302 PolarHBondContact O-N 3.12Å; E299-Y303 PolarHBondContact O-N 3.43Å; E299-F325 HydrophobicContact CG-CE2 3.66Å; E299-F325 HydrophobicContact CG-CZ 3.71Å
300	F	98.6	Very high	97.3	Very high	12 Å²	12	78.3 Å²	78.3	5%	0.053	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.7	175.7	-178.4	-113.7	0	0	0	112.1	I293 E294 F297 P298 R302 Y303 R321 A322 F325	I293-F300 HydrophobicContact CB-CB 4.43Å; I293-F300 HydrophobicContact CB-CD1 3.6Å; I293-F300 HydrophobicContact CB-CE1 3.91Å; I293-F300 HydrophobicContact CB-CG 3.97Å; I293-F300 HydrophobicContact CD1-CE1 4.31Å; I293-F300 HydrophobicContact CD1-CE2 4.45Å; I293-F300 HydrophobicContact CD1-CZ 4.17Å; I293-F300 HydrophobicContact CG2-CB 3.75Å; I293-F300 HydrophobicContact CG2-CD1 3.84Å; I293-F300 HydrophobicContact CG2-CD2 4.17Å; I293-F300 HydrophobicContact CG2-CE1 4.46Å; I293-F300 HydrophobicContact CG2-CG 3.64Å; E294-F300 HydrophobicContact CB-CD1 4.35Å; E294-F300 VanDerWaalsContact OE2-CD1 3.29Å; E294-F300 WeakPolarHBondContact OE2-CD1 3.42Å; F297-F300 VanDerWaalsContact O-CB 3.25Å; F297-F300 WeakPolarHBondContact O-CB 3.47Å; F297-F300 PolarHBondContact O-N 3.27Å; P298-F300 PolarHBondContact O-N 3.37Å; F300-R302 PolarHBondContact O-N 3Å; F300-R302 VanDerWaalsContact O-N 3.14Å; F300-Y303 HydrophobicContact CD2-CD1 4.37Å; F300-Y303 HydrophobicContact CE2-CD1 4.31Å; F300-Y303 WeakPolarHBondContact O-CB 3.3Å; F300-Y303 PolarHBondContact O-N 3.1Å; F300-R321 HydrophobicContact CE2-CG 3.9Å; F300-R321 HydrophobicContact CZ-CG 4.04Å; F300-R321 PolarHBondContact O-NH2 3.1Å; F300-A322 HydrophobicContact CZ-CB 4.28Å; F300-F325 HydrophobicContact CB-CD1 4.26Å; F300-F325 HydrophobicContact CB-CD2 4.37Å; F300-F325 HydrophobicContact CB-CE1 4.08Å; F300-F325 HydrophobicContact CB-CE2 4.2Å; F300-F325 HydrophobicContact CB-CG 4.41Å; F300-F325 HydrophobicContact CB-CZ 4.05Å; F300-F325 HydrophobicContact CD2-CB 3.52Å; F300-F325 AromaticContact CD2-CD1 3.61Å; F300-F325 HydrophobicContact CD2-CD1 3.61Å; F300-F325 AromaticContact CD2-CD2 3.82Å; F300-F325 HydrophobicContact CD2-CD2 3.82Å; F300-F325 HydrophobicContact CD2-CE1 4.29Å; F300-F325 HydrophobicContact CD2-CE2 4.47Å; F300-F325 AromaticContact CD2-CG 3.35Å; F300-F325 HydrophobicContact CD2-CG 3.35Å; F300-F325 HydrophobicContact CE2-CB 3.64Å; F300-F325 HydrophobicContact CE2-CD1 4.31Å; F300-F325 HydrophobicContact CE2-CG 4Å; F300-F325 HydrophobicContact CG-CD1 4.24Å; F300-F325 HydrophobicContact CG-CG 4.29Å
301	A	98.2	Very high	97.3	Very high	62 Å²	62	75.2 Å²	75.2	51%	0.512	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.7	177.7	0	0	0	0	0	112.4	E294 P298 E299 R321	E294-A301 HydrophobicContact CB-CB 4.14Å; P298-A301 WeakPolarHBondContact O-CB 3.44Å; P298-A301 PolarHBondContact O-N 2.64Å; E299-A301 PolarHBondContact O-N 3.45Å; A301-R321 PolarHBondContact O-NH2 3.25Å
302	R	98	Very high	97.1	Very high	206 Å²	206	80.3 Å²	80.3	78%	0.777	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-96.8	-4.7	179.2	-62.4	179.7	-66.6	-163.2	-1.9	113.4	E299 F300	E299-R302 PolarHBondContact O-N 3.12Å; F300-R302 PolarHBondContact O-N 3Å; F300-R302 VanDerWaalsContact O-N 3.14Å
303	Y	98.4	Very high	96.9	Very high	32 Å²	32	81.1 Å²	81.1	13%	0.125	43%	0.433	C	S	.	.			trans	-70.8	135.7	-179.1	-179	-100.3	0	0	0	110.9	E299 F300 P306 R321 Y324 F325 D328	E299-Y303 PolarHBondContact O-N 3.43Å; F300-Y303 HydrophobicContact CD2-CD1 4.37Å; F300-Y303 HydrophobicContact CE2-CD1 4.31Å; F300-Y303 WeakPolarHBondContact O-CB 3.3Å; F300-Y303 PolarHBondContact O-N 3.1Å; Y303-P306 WeakPolarHBondContact OH-CD 3.39Å; Y303-P306 WeakPolarHBondContact OH-CG 3.4Å; Y303-R321 HydrophobicContact CD1-CG 3.86Å; Y303-R321 HydrophobicContact CE1-CG 4.2Å; Y303-R321 WeakPolarHBondContact CE1-O 3.3Å; Y303-R321 VanDerWaalsContact O-CZ 3.31Å; Y303-R321 PolarHBondContact O-NE 2.95Å; Y303-R321 PolarHBondContact O-NH2 3.08Å; Y303-Y324 WeakPolarHBondContact OH-CB 3.33Å; Y303-Y324 PolarHBondContact OH-O 3.44Å; Y303-F325 HydrophobicContact CD1-CB 3.72Å; Y303-F325 HydrophobicContact CD1-CD2 4.3Å; Y303-F325 HydrophobicContact CD1-CG 4.47Å; Y303-F325 HydrophobicContact CD2-CB 4.42Å; Y303-F325 AromaticContact CD2-CD2 3.81Å; Y303-F325 HydrophobicContact CD2-CD2 3.81Å; Y303-F325 HydrophobicContact CE1-CB 3.74Å; Y303-F325 HydrophobicContact CE2-CB 4.44Å; Y303-F325 HydrophobicContact CE2-CD2 4.36Å; Y303-F325 HydrophobicContact CG-CB 4.06Å; Y303-F325 AromaticContact CG-CD2 3.76Å; Y303-F325 HydrophobicContact CG-CD2 3.76Å; Y303-F325 HydrophobicContact CG-CG 4.36Å; Y303-F325 PolarHBondContact OH-N 2.93Å; Y303-D328 HydrophobicContact CE2-CB 4.23Å; Y303-D328 WeakPolarHBondContact CE2-OD2 3.41Å; Y303-D328 PolarHBondContact OH-OD2 3.06Å
304	T	97.9	Very high	96.7	Very high	111 Å²	111	85.2 Å²	85.2	68%	0.681	48%	0.477	S	S	*	.			trans	-114.7	139	175.3	50.9	0	0	0	0	108.9
305	T	97.9	Very high	96.6	Very high	59 Å²	59	84.5 Å²	84.5	36%	0.362	47%	0.473	S	S	.	.			trans	-62.9	130.1	179.1	-52.7	0	0	0	0	109.3	A309 T320 R321	T305-A309 HydrophobicContact CG2-CB 3.82Å; T305-T320 HydrophobicContact CG2-CG2 4.07Å; T305-R321 WeakPolarHBondContact OG1-CB 3.05Å
306	P	96.4	Very high	96.6	Very high	29 Å²	29	81.4 Å²	81.4	19%	0.188	46%	0.457	C	S	.	.			trans	-61.8	147.3	178.7	-25.6	36.1	0	0	0	112.4	Y303 D308 A309 Y324	Y303-P306 WeakPolarHBondContact OH-CD 3.39Å; Y303-P306 WeakPolarHBondContact OH-CG 3.4Å; P306-D308 WeakPolarHBondContact CB-OD1 3.37Å; P306-D308 PolarHBondContact O-N 2.85Å; P306-A309 WeakPolarHBondContact O-CB 3.45Å; P306-A309 PolarHBondContact O-N 3.34Å; P306-A309 VanDerWaalsContact O-N 3.15Å; P306-Y324 HydrophobicContact CG-CD1 4.21Å
307	E	94.6	Very high	96.5	Very high	207 Å²	207	81.8 Å²	81.8	97%	0.967	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.8	177.5	-65.7	-173.1	172.2	0	0	112.7	A309	E307-A309 PolarHBondContact O-N 2.95Å
308	D	93.6	Very high	96.5	Very high	109 Å²	109	87.9 Å²	87.9	58%	0.583	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	8.2	175.8	72.2	-37.7	0	0	0	112.9	P306 T310	P306-D308 WeakPolarHBondContact CB-OD1 3.37Å; P306-D308 PolarHBondContact O-N 2.85Å; D308-T310 PolarHBondContact O-N 2.87Å
309	A	96.4	Very high	96.5	Very high	20 Å²	20	84 Å²	84	17%	0.165	47%	0.468	C	S	.	.			trans	-66.2	132.4	175	0	0	0	0	0	111.3	T305 P306 E307 P311 T320 Y324	T305-A309 HydrophobicContact CG2-CB 3.82Å; P306-A309 WeakPolarHBondContact O-CB 3.45Å; P306-A309 PolarHBondContact O-N 3.34Å; P306-A309 VanDerWaalsContact O-N 3.15Å; E307-A309 PolarHBondContact O-N 2.95Å; A309-P311 WeakPolarHBondContact O-CD 3.35Å; A309-T320 HydrophobicContact CB-CG2 4.37Å; A309-Y324 HydrophobicContact CB-CD1 3.91Å; A309-Y324 HydrophobicContact CB-CD2 4.34Å; A309-Y324 HydrophobicContact CB-CE1 3.55Å; A309-Y324 HydrophobicContact CB-CE2 4Å; A309-Y324 HydrophobicContact CB-CG 4.32Å
310	T	95.2	Very high	96.6	Very high	105 Å²	105	81.3 Å²	81.3	64%	0.644	46%	0.456	S	S	*	.			trans	-113.7	82.2	178.5	55.1	0	0	0	0	108.4	D308 Y324	D308-T310 PolarHBondContact O-N 2.87Å; T310-Y324 PolarHBondContact N-OH 3.14Å; T310-Y324 PolarHBondContact OG1-OH 3.34Å
311	P	94.6	Very high	96.6	Very high	72 Å²	72	83.9 Å²	83.9	47%	0.468	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-65.1	148.6	176.8	27.8	-34.4	0	0	0	111.1	A309 E315 T320	A309-P311 WeakPolarHBondContact O-CD 3.35Å; P311-E315 HydrophobicContact CB-CB 4.43Å; P311-T320 HydrophobicContact CB-CG2 4.02Å
312	E	93	Very high	96.6	Very high	124 Å²	124	81 Å²	81	58%	0.579	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-68.8	152.1	172.3	-67.5	-69.7	173.8	0	0	110.3	G314 E315	E312-G314 PolarHBondContact O-N 2.86Å; E312-E315 HydrophobicContact CB-CB 4.28Å; E312-E315 VanDerWaalsContact O-CB 3.23Å; E312-E315 WeakPolarHBondContact O-CB 3.4Å; E312-E315 PolarHBondContact O-N 2.99Å
313	P	93.3	Very high	96.6	Very high	127 Å²	127	71.5 Å²	71.5	83%	0.825	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	122.7	176.6	-24.9	34.4	0	0	0	112	E315	P313-E315 VanDerWaalsContact C-N 3.33Å
314	G	93.8	Very high	96.6	Very high	90 Å²	90	70.2 Å²	70.2	93%	0.928	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	5.9	-179.1	0	0	0	0	0	115.1	E312	E312-G314 PolarHBondContact O-N 2.86Å
315	E	96.4	Very high	96.7	Very high	48 Å²	48	65 Å²	65	22%	0.224	37%	0.368	C	S	.	.			trans	-69.2	134.5	175.7	-170.8	173.7	98.5	0	0	111.8	P311 E312 P313 V319 T320 K323	P311-E315 HydrophobicContact CB-CB 4.43Å; E312-E315 HydrophobicContact CB-CB 4.28Å; E312-E315 VanDerWaalsContact O-CB 3.23Å; E312-E315 WeakPolarHBondContact O-CB 3.4Å; E312-E315 PolarHBondContact O-N 2.99Å; P313-E315 VanDerWaalsContact C-N 3.33Å; E315-V319 HydrophobicContact CG-CB 4.16Å; E315-V319 HydrophobicContact CG-CG1 4.2Å; E315-T320 WeakPolarHBondContact OE1-CA 3.16Å; E315-T320 WeakPolarHBondContact OE1-CB 3.2Å; E315-T320 PolarHBondContact OE1-OG1 3.21Å; E315-K323 WeakPolarHBondContact OE1-CE 3.41Å; E315-K323 IonicContact OE1-NZ 3Å; E315-K323 PolarHBondContact OE1-NZ 3.47Å; E315-K323 IonicContact OE2-NZ 2.91Å; E315-K323 PolarHBondContact OE2-NZ 3.11Å
316	D	98.2	Very high	96.7	Very high	47 Å²	47	62.2 Å²	62.2	25%	0.251	35%	0.351	S	S	.	.			trans	-69.9	132.8	176.5	-171	-64.2	0	0	0	110.6	L287 R318 V319 T320	L287-D316 HydrophobicContact CD2-CB 3.81Å; D316-R318 PolarHBondContact O-N 3.45Å; D316-R318 WeakPolarHBondContact OD1-CB 3.23Å; D316-R318 VanDerWaalsContact OD1-CG 3.28Å; D316-R318 WeakPolarHBondContact OD1-CG 3.33Å; D316-R318 IonicContact OD1-CZ 3.37Å; D316-R318 PolarHBondContact OD1-N 3.11Å; D316-R318 IonicContact OD1-NE 3.93Å; D316-R318 PolarHBondContact OD1-NE 3.12Å; D316-R318 IonicContact OD1-NH2 2.78Å; D316-R318 IonicContact OD2-CZ 3.09Å; D316-R318 IonicContact OD2-NE 3.47Å; D316-R318 PolarHBondContact OD2-NE 3.4Å; D316-R318 IonicContact OD2-NH2 2.85Å; D316-R318 PolarHBondContact OD2-NH2 2.85Å; D316-V319 HydrophobicContact CB-CG2 4.19Å; D316-V319 WeakPolarHBondContact O-CA 3.08Å; D316-V319 WeakPolarHBondContact O-CB 3.02Å; D316-V319 PolarHBondContact O-N 2.83Å; D316-T320 PolarHBondContact O-N 3.06Å; D316-T320 VanDerWaalsContact O-N 3.12Å; D316-T320 PolarHBondContact O-OG1 2.93Å
317	P	98.1	Very high	96.8	Very high	98 Å²	98	62.2 Å²	62.2	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-54.4	-28.1	179.8	-27.9	35	0	0	0	114.7	V319 T320 R321	P317-V319 VanDerWaalsContact C-N 3.35Å; P317-T320 PolarHBondContact O-N 2.81Å; P317-R321 WeakPolarHBondContact O-CB 3.44Å; P317-R321 PolarHBondContact O-N 2.82Å
318	R	98.2	Very high	97	Very high	135 Å²	135	53.9 Å²	53.9	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-40.6	175.1	-63.6	172.8	-73.8	173	-5.2	111.3	V286 D316 A322	V286-R318 HydrophobicContact CG1-CB 4.04Å; D316-R318 PolarHBondContact O-N 3.45Å; D316-R318 WeakPolarHBondContact OD1-CB 3.23Å; D316-R318 VanDerWaalsContact OD1-CG 3.28Å; D316-R318 WeakPolarHBondContact OD1-CG 3.33Å; D316-R318 IonicContact OD1-CZ 3.37Å; D316-R318 PolarHBondContact OD1-N 3.11Å; D316-R318 IonicContact OD1-NE 3.93Å; D316-R318 PolarHBondContact OD1-NE 3.12Å; D316-R318 IonicContact OD1-NH2 2.78Å; D316-R318 IonicContact OD2-CZ 3.09Å; D316-R318 IonicContact OD2-NE 3.47Å; D316-R318 PolarHBondContact OD2-NE 3.4Å; D316-R318 IonicContact OD2-NH2 2.85Å; D316-R318 PolarHBondContact OD2-NH2 2.85Å; R318-A322 WeakPolarHBondContact O-CB 3.48Å; R318-A322 PolarHBondContact O-N 3.47Å
319	V	98.6	Very high	97.3	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-44	177.3	179.2	0	0	0	0	110.1	A283 V286 L287 E315 D316 P317 R321 A322 K323	A283-V319 HydrophobicContact CB-CG1 3.81Å; A283-V319 HydrophobicContact CB-CG2 4.03Å; V286-V319 HydrophobicContact CG1-CG2 4.35Å; L287-V319 HydrophobicContact CD1-CG2 4.14Å; L287-V319 HydrophobicContact CD2-CG2 3.93Å; L287-V319 HydrophobicContact CG-CG2 3.81Å; E315-V319 HydrophobicContact CG-CB 4.16Å; E315-V319 HydrophobicContact CG-CG1 4.2Å; D316-V319 HydrophobicContact CB-CG2 4.19Å; D316-V319 WeakPolarHBondContact O-CA 3.08Å; D316-V319 WeakPolarHBondContact O-CB 3.02Å; D316-V319 PolarHBondContact O-N 2.83Å; P317-V319 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 3.18Å; V319-A322 PolarHBondContact O-N 3.26Å; V319-K323 PolarHBondContact O-N 3.43Å
320	T	98.6	Very high	97.4	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-57.2	-50.6	175.5	-49.7	0	0	0	0	110.8	T305 A309 P311 E315 D316 P317 A322 K323 Y324	T305-T320 HydrophobicContact CG2-CG2 4.07Å; A309-T320 HydrophobicContact CB-CG2 4.37Å; P311-T320 HydrophobicContact CB-CG2 4.02Å; E315-T320 WeakPolarHBondContact OE1-CA 3.16Å; E315-T320 WeakPolarHBondContact OE1-CB 3.2Å; E315-T320 PolarHBondContact OE1-OG1 3.21Å; D316-T320 PolarHBondContact O-N 3.06Å; D316-T320 VanDerWaalsContact O-N 3.12Å; D316-T320 PolarHBondContact O-OG1 2.93Å; P317-T320 PolarHBondContact O-N 2.81Å; T320-A322 VanDerWaalsContact C-N 3.33Å; T320-A322 PolarHBondContact O-N 3.36Å; T320-K323 WeakPolarHBondContact O-CG 3.31Å; T320-K323 PolarHBondContact O-N 2.84Å; T320-Y324 HydrophobicContact CG2-CD2 3.83Å; T320-Y324 HydrophobicContact CG2-CE2 3.95Å; T320-Y324 WeakPolarHBondContact O-CB 3.16Å; T320-Y324 WeakPolarHBondContact O-CD2 3.29Å; T320-Y324 PolarHBondContact O-N 3.33Å
321	R	98.7	Very high	97.5	Very high	66 Å²	66	45.2 Å²	45.2	25%	0.249	26%	0.255	C	S	.	.	H	α-helix	trans	-57.8	-45.5	177.6	-173.2	-178.1	175.1	-130.8	9.2	111.9	F300 A301 Y303 T305 P317 V319 F325	F300-R321 HydrophobicContact CE2-CG 3.9Å; F300-R321 HydrophobicContact CZ-CG 4.04Å; F300-R321 PolarHBondContact O-NH2 3.1Å; A301-R321 PolarHBondContact O-NH2 3.25Å; Y303-R321 HydrophobicContact CD1-CG 3.86Å; Y303-R321 HydrophobicContact CE1-CG 4.2Å; Y303-R321 WeakPolarHBondContact CE1-O 3.3Å; Y303-R321 VanDerWaalsContact O-CZ 3.31Å; Y303-R321 PolarHBondContact O-NE 2.95Å; Y303-R321 PolarHBondContact O-NH2 3.08Å; T305-R321 WeakPolarHBondContact OG1-CB 3.05Å; P317-R321 WeakPolarHBondContact O-CB 3.44Å; P317-R321 PolarHBondContact O-N 2.82Å; V319-R321 PolarHBondContact O-N 3.18Å; R321-F325 WeakPolarHBondContact O-CB 3.39Å; R321-F325 PolarHBondContact O-N 3.11Å
322	A	98.8	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-50.3	-179.8	0	0	0	0	0	113	V286 I293 F300 R318 V319 T320 Y324 F325 I326	V286-A322 HydrophobicContact CG1-CB 4.26Å; V286-A322 HydrophobicContact CG2-CB 3.68Å; I293-A322 HydrophobicContact CD1-CB 3.51Å; F300-A322 HydrophobicContact CZ-CB 4.28Å; R318-A322 WeakPolarHBondContact O-CB 3.48Å; R318-A322 PolarHBondContact O-N 3.47Å; V319-A322 PolarHBondContact O-N 3.26Å; T320-A322 VanDerWaalsContact C-N 3.33Å; T320-A322 PolarHBondContact O-N 3.36Å; A322-Y324 VanDerWaalsContact C-N 3.35Å; A322-Y324 PolarHBondContact O-N 3.33Å; A322-F325 PolarHBondContact O-N 3Å; A322-I326 WeakPolarHBondContact O-CG1 3.38Å; A322-I326 PolarHBondContact O-N 3.36Å
323	K	98.4	Very high	97.8	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-37.3	-178	76	-177.4	-169.6	-176.8	0	111.9	L282 E315 V319 T320 I326 R327 F348	L282-K323 HydrophobicContact CD2-CB 3.8Å; E315-K323 WeakPolarHBondContact OE1-CE 3.41Å; E315-K323 IonicContact OE1-NZ 3Å; E315-K323 PolarHBondContact OE1-NZ 3.47Å; E315-K323 IonicContact OE2-NZ 2.91Å; E315-K323 PolarHBondContact OE2-NZ 3.11Å; V319-K323 PolarHBondContact O-N 3.43Å; T320-K323 WeakPolarHBondContact O-CG 3.31Å; T320-K323 PolarHBondContact O-N 2.84Å; K323-I326 PolarHBondContact O-N 3.44Å; K323-R327 PolarHBondContact O-N 2.77Å; K323-F348 HydrophobicContact CB-CD1 4.09Å; K323-F348 HydrophobicContact CB-CE1 3.68Å; K323-F348 HydrophobicContact CB-CZ 4.31Å; K323-F348 HydrophobicContact CD-CD1 4.05Å; K323-F348 HydrophobicContact CD-CD2 4.32Å; K323-F348 HydrophobicContact CD-CE1 4.02Å; K323-F348 HydrophobicContact CD-CE2 4.28Å; K323-F348 HydrophobicContact CD-CG 4.2Å; K323-F348 HydrophobicContact CD-CZ 4.13Å; K323-F348 HydrophobicContact CG-CD1 4.14Å; K323-F348 HydrophobicContact CG-CE1 3.65Å; K323-F348 HydrophobicContact CG-CE2 4.38Å; K323-F348 HydrophobicContact CG-CZ 3.78Å; K323-F348 WeakPolarHBondContact O-CE1 3.33Å
324	Y	98.8	Very high	97.9	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-71.3	-35.7	177.5	-85	-102.8	0	0	0	112.6	Y303 P306 A309 T310 T320 A322 I326 R327 D328 F348	Y303-Y324 WeakPolarHBondContact OH-CB 3.33Å; Y303-Y324 PolarHBondContact OH-O 3.44Å; P306-Y324 HydrophobicContact CG-CD1 4.21Å; A309-Y324 HydrophobicContact CB-CD1 3.91Å; A309-Y324 HydrophobicContact CB-CD2 4.34Å; A309-Y324 HydrophobicContact CB-CE1 3.55Å; A309-Y324 HydrophobicContact CB-CE2 4Å; A309-Y324 HydrophobicContact CB-CG 4.32Å; T310-Y324 PolarHBondContact N-OH 3.14Å; T310-Y324 PolarHBondContact OG1-OH 3.34Å; T320-Y324 HydrophobicContact CG2-CD2 3.83Å; T320-Y324 HydrophobicContact CG2-CE2 3.95Å; T320-Y324 WeakPolarHBondContact O-CB 3.16Å; T320-Y324 WeakPolarHBondContact O-CD2 3.29Å; T320-Y324 PolarHBondContact O-N 3.33Å; A322-Y324 VanDerWaalsContact C-N 3.35Å; A322-Y324 PolarHBondContact O-N 3.33Å; Y324-I326 VanDerWaalsContact C-N 3.34Å; Y324-I326 PolarHBondContact O-N 3.31Å; Y324-R327 VanDerWaalsContact CE1-CZ 3.45Å; Y324-R327 WeakPolarHBondContact O-CB 3.21Å; Y324-R327 PolarHBondContact O-N 2.84Å; Y324-D328 WeakPolarHBondContact O-CB 3.46Å; Y324-D328 PolarHBondContact O-N 3.24Å; Y324-F348 HydrophobicContact CD2-CE2 4.13Å; Y324-F348 AromaticContact CD2-CZ 3.82Å; Y324-F348 HydrophobicContact CD2-CZ 3.82Å; Y324-F348 HydrophobicContact CE1-CE2 4.44Å; Y324-F348 AromaticContact CE2-CE2 3.62Å; Y324-F348 HydrophobicContact CE2-CE2 3.62Å; Y324-F348 AromaticContact CE2-CZ 3.82Å; Y324-F348 HydrophobicContact CE2-CZ 3.82Å; Y324-F348 HydrophobicContact CG-CZ 4.2Å; Y324-F348 AromaticContact CZ-CE2 3.75Å
325	F	98.9	Very high	97.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-55.6	-51.7	170.2	168.9	-108.7	0	0	0	111.2	I293 F297 E299 F300 Y303 R321 A322 R327 D328 E329	I293-F325 HydrophobicContact CG2-CD1 4Å; I293-F325 HydrophobicContact CG2-CE1 3.86Å; F297-F325 HydrophobicContact CB-CE1 3.88Å; F297-F325 HydrophobicContact CB-CZ 3.89Å; F297-F325 HydrophobicContact CG-CE1 4.27Å; F297-F325 HydrophobicContact CG-CZ 4.48Å; E299-F325 HydrophobicContact CG-CE2 3.66Å; E299-F325 HydrophobicContact CG-CZ 3.71Å; F300-F325 HydrophobicContact CB-CD1 4.26Å; F300-F325 HydrophobicContact CB-CD2 4.37Å; F300-F325 HydrophobicContact CB-CE1 4.08Å; F300-F325 HydrophobicContact CB-CE2 4.2Å; F300-F325 HydrophobicContact CB-CG 4.41Å; F300-F325 HydrophobicContact CB-CZ 4.05Å; F300-F325 HydrophobicContact CD2-CB 3.52Å; F300-F325 AromaticContact CD2-CD1 3.61Å; F300-F325 HydrophobicContact CD2-CD1 3.61Å; F300-F325 AromaticContact CD2-CD2 3.82Å; F300-F325 HydrophobicContact CD2-CD2 3.82Å; F300-F325 HydrophobicContact CD2-CE1 4.29Å; F300-F325 HydrophobicContact CD2-CE2 4.47Å; F300-F325 AromaticContact CD2-CG 3.35Å; F300-F325 HydrophobicContact CD2-CG 3.35Å; F300-F325 HydrophobicContact CE2-CB 3.64Å; F300-F325 HydrophobicContact CE2-CD1 4.31Å; F300-F325 HydrophobicContact CE2-CG 4Å; F300-F325 HydrophobicContact CG-CD1 4.24Å; F300-F325 HydrophobicContact CG-CG 4.29Å; Y303-F325 HydrophobicContact CD1-CB 3.72Å; Y303-F325 HydrophobicContact CD1-CD2 4.3Å; Y303-F325 HydrophobicContact CD1-CG 4.47Å; Y303-F325 HydrophobicContact CD2-CB 4.42Å; Y303-F325 AromaticContact CD2-CD2 3.81Å; Y303-F325 HydrophobicContact CD2-CD2 3.81Å; Y303-F325 HydrophobicContact CE1-CB 3.74Å; Y303-F325 HydrophobicContact CE2-CB 4.44Å; Y303-F325 HydrophobicContact CE2-CD2 4.36Å; Y303-F325 HydrophobicContact CG-CB 4.06Å; Y303-F325 AromaticContact CG-CD2 3.76Å; Y303-F325 HydrophobicContact CG-CD2 3.76Å; Y303-F325 HydrophobicContact CG-CG 4.36Å; Y303-F325 PolarHBondContact OH-N 2.93Å; R321-F325 WeakPolarHBondContact O-CB 3.39Å; R321-F325 PolarHBondContact O-N 3.11Å; A322-F325 PolarHBondContact O-N 3Å; F325-R327 VanDerWaalsContact C-N 3.31Å; F325-R327 PolarHBondContact O-N 3.19Å; F325-D328 PolarHBondContact O-N 3.02Å; F325-D328 VanDerWaalsContact O-N 3.1Å; F325-E329 HydrophobicContact CE1-CG 4.1Å; F325-E329 HydrophobicContact CE2-CG 4.04Å; F325-E329 WeakPolarHBondContact CE2-OE1 3.42Å; F325-E329 HydrophobicContact CZ-CG 3.79Å; F325-E329 WeakPolarHBondContact CZ-OE1 3.48Å; F325-E329 PolarHBondContact O-N 3.23Å
326	I	98.8	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-43.6	179.2	-61.2	171.8	0	0	0	110.1	S235 L251 L276 L282 A322 K323 Y324 D328 E329 F330	S235-I326 WeakPolarHBondContact O-CD1 3.43Å; L251-I326 HydrophobicContact CD1-CG2 4.01Å; L251-I326 HydrophobicContact CD2-CD1 4.35Å; L251-I326 HydrophobicContact CD2-CG1 4.12Å; L251-I326 HydrophobicContact CD2-CG2 4.31Å; L276-I326 HydrophobicContact CD2-CG2 4.08Å; L282-I326 HydrophobicContact CD1-CD1 4.01Å; L282-I326 HydrophobicContact CD2-CD1 4Å; A322-I326 WeakPolarHBondContact O-CG1 3.38Å; A322-I326 PolarHBondContact O-N 3.36Å; K323-I326 PolarHBondContact O-N 3.44Å; Y324-I326 VanDerWaalsContact C-N 3.34Å; Y324-I326 PolarHBondContact O-N 3.31Å; I326-D328 VanDerWaalsContact C-N 3.29Å; I326-D328 PolarHBondContact O-N 3.45Å; I326-E329 PolarHBondContact O-N 3.39Å; I326-F330 HydrophobicContact CG2-CD2 4.41Å; I326-F330 HydrophobicContact CG2-CE2 4.06Å; I326-F330 VanDerWaalsContact O-CD2 3.26Å; I326-F330 WeakPolarHBondContact O-CD2 3.28Å
327	R	98.7	Very high	96.6	Very high	30 Å²	30	40.7 Å²	40.7	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-52.6	-49	174.2	-176.6	-163.3	70.8	165.6	0.6	111.5	L276 K323 Y324 F325 E329 F330 L331 P346 F348	L276-R327 HydrophobicContact CD1-CB 3.51Å; L276-R327 HydrophobicContact CD1-CG 3.84Å; K323-R327 PolarHBondContact O-N 2.77Å; Y324-R327 VanDerWaalsContact CE1-CZ 3.45Å; Y324-R327 WeakPolarHBondContact O-CB 3.21Å; Y324-R327 PolarHBondContact O-N 2.84Å; F325-R327 VanDerWaalsContact C-N 3.31Å; F325-R327 PolarHBondContact O-N 3.19Å; R327-E329 VanDerWaalsContact C-N 3.35Å; R327-E329 PolarHBondContact O-N 2.82Å; R327-F330 PolarHBondContact O-N 3.42Å; R327-L331 HydrophobicContact CG-CD1 3.97Å; R327-L331 HydrophobicContact CG-CG 4.3Å; R327-L331 WeakPolarHBondContact O-CG 3.41Å; R327-L331 PolarHBondContact O-N 2.91Å; R327-P346 HydrophobicContact CG-CB 3.87Å; R327-P346 HydrophobicContact CG-CG 4.22Å; R327-F348 HydrophobicContact CB-CE1 4.21Å; R327-F348 HydrophobicContact CB-CZ 4.12Å; R327-F348 HydrophobicContact CG-CZ 4.44Å
328	D	98.6	Very high	94.9	Very high	31 Å²	31	38.6 Å²	38.6	17%	0.166	21%	0.212	C	C	.	.	H	α-helix	trans	-72.5	-27.1	-172.7	-66.9	-7.4	0	0	0	112.8	Y303 Y324 F325 I326 F330 L331 R332	Y303-D328 HydrophobicContact CE2-CB 4.23Å; Y303-D328 WeakPolarHBondContact CE2-OD2 3.41Å; Y303-D328 PolarHBondContact OH-OD2 3.06Å; Y324-D328 WeakPolarHBondContact O-CB 3.46Å; Y324-D328 PolarHBondContact O-N 3.24Å; F325-D328 PolarHBondContact O-N 3.02Å; F325-D328 VanDerWaalsContact O-N 3.1Å; I326-D328 VanDerWaalsContact C-N 3.29Å; I326-D328 PolarHBondContact O-N 3.45Å; D328-F330 VanDerWaalsContact C-N 3.31Å; D328-F330 PolarHBondContact O-N 3.46Å; D328-L331 PolarHBondContact O-N 3.16Å; D328-R332 VanDerWaalsContact O-CB 3.31Å; D328-R332 WeakPolarHBondContact O-CB 3.33Å; D328-R332 PolarHBondContact O-N 3.24Å
329	E	98.6	Very high	93.7	Very high	14 Å²	14	36.2 Å²	36.2	7%	0.065	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-43.5	169	-70.8	-59.6	123.1	0	0	111.7	L255 F325 I326 R327 R332	L255-E329 HydrophobicContact CD1-CB 4.26Å; L255-E329 HydrophobicContact CD2-CB 3.73Å; F325-E329 HydrophobicContact CE1-CG 4.1Å; F325-E329 HydrophobicContact CE2-CG 4.04Å; F325-E329 WeakPolarHBondContact CE2-OE1 3.42Å; F325-E329 HydrophobicContact CZ-CG 3.79Å; F325-E329 WeakPolarHBondContact CZ-OE1 3.48Å; F325-E329 PolarHBondContact O-N 3.23Å; I326-E329 PolarHBondContact O-N 3.39Å; R327-E329 VanDerWaalsContact C-N 3.35Å; R327-E329 PolarHBondContact O-N 2.82Å; E329-R332 IonicContact OE1-CZ 3.26Å; E329-R332 IonicContact OE1-NH1 2.69Å; E329-R332 PolarHBondContact OE1-NH1 3.02Å; E329-R332 IonicContact OE1-NH2 3.05Å; E329-R332 PolarHBondContact OE1-NH2 3.13Å; E329-R332 IonicContact OE2-CZ 2.6Å; E329-R332 IonicContact OE2-NH1 2.73Å; E329-R332 PolarHBondContact OE2-NH1 2.71Å; E329-R332 IonicContact OE2-NH2 3.82Å
330	F	98.5	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-40.9	176	-71.9	-89.6	0	0	0	112.1	F231 V233 L251 A254 L255 F258 L274 L276 I326 R327 D328 R332 I333 S334	F231-F330 HydrophobicContact CE1-CE1 4.14Å; V233-F330 HydrophobicContact CB-CE2 4.46Å; V233-F330 HydrophobicContact CB-CZ 4.2Å; V233-F330 HydrophobicContact CG1-CE2 3.8Å; V233-F330 HydrophobicContact CG1-CZ 3.64Å; V233-F330 HydrophobicContact CG2-CD1 4.44Å; V233-F330 HydrophobicContact CG2-CE1 3.7Å; V233-F330 HydrophobicContact CG2-CE2 3.95Å; V233-F330 HydrophobicContact CG2-CZ 3.44Å; V233-F330 VanDerWaalsContact CG2-CZ 3.44Å; L251-F330 HydrophobicContact CD1-CE2 3.99Å; L251-F330 HydrophobicContact CD1-CZ 4.2Å; A254-F330 HydrophobicContact CB-CZ 4.06Å; L255-F330 HydrophobicContact CD2-CD1 3.9Å; L255-F330 HydrophobicContact CD2-CD2 3.82Å; L255-F330 HydrophobicContact CD2-CE1 3.82Å; L255-F330 HydrophobicContact CD2-CE2 3.72Å; L255-F330 HydrophobicContact CD2-CG 3.88Å; L255-F330 HydrophobicContact CD2-CZ 3.7Å; L255-F330 HydrophobicContact CG-CE1 4.34Å; L255-F330 HydrophobicContact CG-CE2 4.28Å; L255-F330 HydrophobicContact CG-CZ 4.01Å; F258-F330 HydrophobicContact CB-CD1 3.72Å; F258-F330 HydrophobicContact CB-CE1 3.69Å; F258-F330 HydrophobicContact CD1-CB 4.5Å; F258-F330 AromaticContact CD1-CD1 3.72Å; F258-F330 HydrophobicContact CD1-CD1 3.72Å; F258-F330 AromaticContact CD2-CD1 3.99Å; F258-F330 HydrophobicContact CD2-CD1 3.99Å; F258-F330 HydrophobicContact CE1-CB 4.35Å; F258-F330 HydrophobicContact CE1-CD1 4.3Å; F258-F330 WeakPolarHBondContact CE1-O 3.41Å; F258-F330 AromaticContact CG-CD1 3.54Å; F258-F330 HydrophobicContact CG-CD1 3.54Å; F258-F330 HydrophobicContact CG-CE1 4.04Å; L274-F330 HydrophobicContact CD1-CD1 4.12Å; L274-F330 HydrophobicContact CD1-CG 4.34Å; L274-F330 HydrophobicContact CD2-CB 3.42Å; L274-F330 VanDerWaalsContact CD2-CB 3.42Å; L274-F330 HydrophobicContact CD2-CD1 4.3Å; L274-F330 HydrophobicContact CD2-CD2 4.37Å; L274-F330 HydrophobicContact CD2-CG 3.79Å; L276-F330 HydrophobicContact CD2-CD2 4.05Å; L276-F330 HydrophobicContact CD2-CE2 4.25Å; I326-F330 HydrophobicContact CG2-CD2 4.41Å; I326-F330 HydrophobicContact CG2-CE2 4.06Å; I326-F330 VanDerWaalsContact O-CD2 3.26Å; I326-F330 WeakPolarHBondContact O-CD2 3.28Å; R327-F330 PolarHBondContact O-N 3.42Å; D328-F330 VanDerWaalsContact C-N 3.31Å; D328-F330 PolarHBondContact O-N 3.46Å; F330-R332 VanDerWaalsContact C-N 3.28Å; F330-R332 PolarHBondContact O-N 3.46Å; F330-I333 WeakPolarHBondContact O-CB 3.37Å; F330-I333 PolarHBondContact O-N 3.22Å; F330-I333 VanDerWaalsContact O-N 3.08Å; F330-S334 PolarHBondContact O-N 2.84Å; F330-S334 VanDerWaalsContact O-N 3.13Å
331	L	97.4	Very high	92.1	Very high	38 Å²	38	43.1 Å²	43.1	20%	0.199	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-38.1	179	-69.9	-178.5	0	0	0	111.6	R327 D328 I333 S334 T335 C344 P346	R327-L331 HydrophobicContact CG-CD1 3.97Å; R327-L331 HydrophobicContact CG-CG 4.3Å; R327-L331 WeakPolarHBondContact O-CG 3.41Å; R327-L331 PolarHBondContact O-N 2.91Å; D328-L331 PolarHBondContact O-N 3.16Å; L331-I333 PolarHBondContact O-N 3.15Å; L331-S334 WeakPolarHBondContact CA-OG 3.45Å; L331-S334 PolarHBondContact O-N 3.41Å; L331-S334 PolarHBondContact O-OG 3.03Å; L331-T335 WeakPolarHBondContact O-CG2 3.47Å; L331-T335 PolarHBondContact O-N 3.2Å; L331-T335 PolarHBondContact O-OG1 2.96Å; L331-T335 VanDerWaalsContact O-OG1 3.09Å; L331-C344 HydrophobicContact CD2-CB 4.43Å; L331-P346 HydrophobicContact CD1-CG 4.34Å; L331-P346 HydrophobicContact CD2-CG 4.08Å
332	R	96.9	Very high	91.7	Very high	129 Å²	129	41 Å²	41	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-54.6	-37.9	173.7	-170.3	-172.4	-51.4	129.7	11.1	112.5	D328 E329 F330 A336	D328-R332 VanDerWaalsContact O-CB 3.31Å; D328-R332 WeakPolarHBondContact O-CB 3.33Å; D328-R332 PolarHBondContact O-N 3.24Å; E329-R332 IonicContact OE1-CZ 3.26Å; E329-R332 IonicContact OE1-NH1 2.69Å; E329-R332 PolarHBondContact OE1-NH1 3.02Å; E329-R332 IonicContact OE1-NH2 3.05Å; E329-R332 PolarHBondContact OE1-NH2 3.13Å; E329-R332 IonicContact OE2-CZ 2.6Å; E329-R332 IonicContact OE2-NH1 2.73Å; E329-R332 PolarHBondContact OE2-NH1 2.71Å; E329-R332 IonicContact OE2-NH2 3.82Å; F330-R332 VanDerWaalsContact C-N 3.28Å; F330-R332 PolarHBondContact O-N 3.46Å; R332-A336 WeakPolarHBondContact O-CB 3.49Å; R332-A336 PolarHBondContact O-N 2.72Å
333	I	96.9	Very high	91.4	Very high	29 Å²	29	46.3 Å²	46.3	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-46.1	175.3	-63.1	165.3	0	0	0	110	L255 F258 K259 W262 F330 L331 T335 A336	L255-I333 HydrophobicContact CB-CD1 4.24Å; L255-I333 HydrophobicContact CD2-CD1 3.79Å; F258-I333 HydrophobicContact CD1-CB 4.01Å; F258-I333 HydrophobicContact CD1-CD1 4.03Å; F258-I333 HydrophobicContact CD1-CG2 3.82Å; F258-I333 HydrophobicContact CE1-CB 4.05Å; F258-I333 HydrophobicContact CE1-CG2 4Å; K259-I333 HydrophobicContact CB-CD1 4.27Å; K259-I333 HydrophobicContact CB-CG2 3.84Å; K259-I333 HydrophobicContact CG-CG2 4Å; W262-I333 HydrophobicContact CB-CG2 4.48Å; F330-I333 WeakPolarHBondContact O-CB 3.37Å; F330-I333 PolarHBondContact O-N 3.22Å; F330-I333 VanDerWaalsContact O-N 3.08Å; L331-I333 PolarHBondContact O-N 3.15Å; I333-T335 PolarHBondContact O-N 2.8Å; I333-A336 PolarHBondContact O-N 2.82Å
334	S	95.4	Very high	91.3	Very high	9 Å²	9	47 Å²	47	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-33.5	-175.8	72.2	0	0	0	0	113.6	W262 F330 L331	W262-S334 VanDerWaalsContact CE2-CA 3.45Å; W262-S334 WeakPolarHBondContact CZ2-O 3.32Å; W262-S334 PolarHBondContact NE1-O 2.94Å; F330-S334 PolarHBondContact O-N 2.84Å; F330-S334 VanDerWaalsContact O-N 3.13Å; L331-S334 WeakPolarHBondContact CA-OG 3.45Å; L331-S334 PolarHBondContact O-N 3.41Å; L331-S334 PolarHBondContact O-OG 3.03Å
335	T	93.8	Very high	91.2	Very high	105 Å²	105	50.1 Å²	50.1	64%	0.644	28%	0.275	S	S	*	.	H	α-helix	trans	-86.8	-12.1	-178.6	59.4	0	0	0	0	113.2	L331 I333 S337	L331-T335 WeakPolarHBondContact O-CG2 3.47Å; L331-T335 PolarHBondContact O-N 3.2Å; L331-T335 PolarHBondContact O-OG1 2.96Å; L331-T335 VanDerWaalsContact O-OG1 3.09Å; I333-T335 PolarHBondContact O-N 2.8Å; T335-S337 PolarHBondContact O-N 3.26Å
336	A	90.9	Very high	91.1	Very high	85 Å²	85	52 Å²	52	70%	0.702	29%	0.288	S	S	*	.	S	Bend	trans	-71.2	-26.4	-177.3	0	0	0	0	0	114.2	R332 I333	R332-A336 WeakPolarHBondContact O-CB 3.49Å; R332-A336 PolarHBondContact O-N 2.72Å; I333-A336 PolarHBondContact O-N 2.82Å
337	S	76.7	Confident	91.1	Very high	56 Å²	56	53.6 Å²	53.6	39%	0.392	30%	0.295	S	S	.	.	S	Bend	trans	-124.4	15	-172	49.9	0	0	0	0	114.3	W262 N263 T335 D339	W262-S337 PolarHBondContact NE1-OG 3.37Å; N263-S337 PolarHBondContact OD1-OG 2.68Å; N263-S337 VanDerWaalsContact OD1-OG 3.08Å; T335-S337 PolarHBondContact O-N 3.26Å; S337-D339 PolarHBondContact O-N 3.38Å; S337-D339 VanDerWaalsContact O-N 3.15Å
338	G	62.6	Low	91	Very high	54 Å²	54	54.3 Å²	54.3	56%	0.557	30%	0.299	S	S	*	.			trans	-69	107.4	-169.1	0	0	0	0	0	114.7	G340	G338-G340 VanDerWaalsContact C-N 3.3Å
339	D	74.1	Confident	91	Very high	85 Å²	85	52.9 Å²	52.9	46%	0.455	29%	0.291	S	S	.	.			trans	-91.8	10.2	163.9	60.1	13.9	0	0	0	112.8	S337 R341	S337-D339 PolarHBondContact O-N 3.38Å; S337-D339 VanDerWaalsContact O-N 3.15Å; D339-R341 VanDerWaalsContact C-N 3.3Å; D339-R341 VanDerWaalsContact CG-NE 3.28Å; D339-R341 PolarHBondContact O-N 3.02Å; D339-R341 VanDerWaalsContact OD1-CB 3.28Å; D339-R341 WeakPolarHBondContact OD1-CB 3.38Å; D339-R341 WeakPolarHBondContact OD1-CG 3.48Å; D339-R341 PolarHBondContact OD1-N 3.02Å; D339-R341 VanDerWaalsContact OD1-N 3.13Å; D339-R341 IonicContact OD1-NE 2.68Å; D339-R341 IonicContact OD2-CZ 2.66Å; D339-R341 IonicContact OD2-NE 2.83Å; D339-R341 PolarHBondContact OD2-NE 3.46Å; D339-R341 IonicContact OD2-NH2 3.06Å; D339-R341 PolarHBondContact OD2-NH2 3.17Å
340	G	77.6	Confident	91	Very high	34 Å²	34	52.8 Å²	52.8	35%	0.351	29%	0.293	S	S	.	.	S	Bend	trans	76	8.2	178.7	0	0	0	0	0	115.2	G338	G338-G340 VanDerWaalsContact C-N 3.3Å
341	R	84.8	Confident	90.9	Very high	127 Å²	127	53 Å²	53	48%	0.479	29%	0.294	S	S	.	.	S	Bend	trans	-76.4	-30.6	-178.7	-73.7	-168.9	-103	-151.3	-11.7	114.4	D339	D339-R341 VanDerWaalsContact C-N 3.3Å; D339-R341 VanDerWaalsContact CG-NE 3.28Å; D339-R341 PolarHBondContact O-N 3.02Å; D339-R341 VanDerWaalsContact OD1-CB 3.28Å; D339-R341 WeakPolarHBondContact OD1-CB 3.38Å; D339-R341 WeakPolarHBondContact OD1-CG 3.48Å; D339-R341 PolarHBondContact OD1-N 3.02Å; D339-R341 VanDerWaalsContact OD1-N 3.13Å; D339-R341 IonicContact OD1-NE 2.68Å; D339-R341 IonicContact OD2-CZ 2.66Å; D339-R341 IonicContact OD2-NE 2.83Å; D339-R341 PolarHBondContact OD2-NE 3.46Å; D339-R341 IonicContact OD2-NH2 3.06Å; D339-R341 PolarHBondContact OD2-NH2 3.17Å
342	H	90	Very high	90.8	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	29%	0.291	C	S	.	.			trans	-147.4	162.5	178.5	67.9	169.3	0	0	0	111.5	W262 L267 I270	W262-H342 AromaticContact CD2-CE1 3.96Å; W262-H342 AromaticContact CD2-NE2 3.87Å; W262-H342 AromaticContact CE2-NE2 3.47Å; W262-H342 AromaticContact CE3-CE1 3.96Å; W262-H342 AromaticContact CH2-CD2 3.67Å; W262-H342 AromaticContact CH2-NE2 3.71Å; W262-H342 AromaticContact CZ2-CD2 3.65Å; W262-H342 AromaticContact CZ2-NE2 3.41Å; W262-H342 WeakPolarHBondContact CZ2-NE2 3.4Å; W262-H342 PolarHBondContact O-CE1 3.34Å; L267-H342 PolarHBondContact O-ND1 3.33Å; I270-H342 PolarHBondContact O-ND1 2.98Å
343	Y	92.8	Very high	90.7	Very high	113 Å²	113	49.6 Å²	49.6	44%	0.443	29%	0.287	S	S	.	.			trans	-130.9	155.9	-172.1	-61.2	-87	0	0	0	111.5	S271 V272	S271-Y343 WeakPolarHBondContact CA-O 3.24Å; S271-Y343 VanDerWaalsContact CB-O 3.3Å; S271-Y343 WeakPolarHBondContact CB-O 3.36Å; S271-Y343 PolarHBondContact OG-N 3.23Å; S271-Y343 VanDerWaalsContact OG-N 3.11Å; V272-Y343 PolarHBondContact N-O 3.46Å
344	C	95.8	Very high	90.6	Very high	20 Å²	20	50 Å²	50	14%	0.135	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.2	172	-173.3	0	0	0	0	110	W262 V272 L331	W262-C344 HydrophobicContact CH2-CB 4.1Å; W262-C344 HydrophobicContact CZ3-CB 3.88Å; V272-C344 CarbonylContact O-C 3.58Å; V272-C344 VanDerWaalsContact O-CA 3.26Å; V272-C344 WeakPolarHBondContact O-CA 3.45Å; L331-C344 HydrophobicContact CD2-CB 4.43Å
345	Y	96.8	Very high	90.6	Very high	71 Å²	71	53.9 Å²	53.9	28%	0.278	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	96.3	-179.6	-58.1	-90.4	0	0	0	109.3	V272 L274 H347 I367 M371	V272-Y345 PolarHBondContact O-N 3.38Å; L274-Y345 PolarHBondContact N-O 3.26Å; Y345-H347 PolarHBondContact O-CD2 3.19Å; Y345-I367 HydrophobicContact CD1-CD1 3.71Å; Y345-I367 HydrophobicContact CD1-CG1 4.35Å; Y345-I367 HydrophobicContact CD1-CG2 4.13Å; Y345-I367 HydrophobicContact CD2-CG2 3.93Å; Y345-I367 HydrophobicContact CE1-CD1 4.29Å; Y345-I367 HydrophobicContact CE1-CG1 4.45Å; Y345-I367 HydrophobicContact CE1-CG2 4.05Å; Y345-I367 HydrophobicContact CE2-CG2 3.89Å; Y345-I367 HydrophobicContact CG-CD1 4.06Å; Y345-I367 HydrophobicContact CG-CG2 4.05Å; Y345-M371 HydrophobicContact CD2-CE 3.7Å; Y345-M371 HydrophobicContact CE2-CE 3.07Å
346	P	97.6	Very high	90.6	Very high	43 Å²	43	50.8 Å²	50.8	28%	0.279	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.6	-178.2	32	-35.4	0	0	0	112.1	L274 R327 L331	L274-P346 HydrophobicContact CD2-CB 4.36Å; L274-P346 CarbonylContact O-C 3.54Å; L274-P346 WeakPolarHBondContact O-CA 3.44Å; R327-P346 HydrophobicContact CG-CB 3.87Å; R327-P346 HydrophobicContact CG-CG 4.22Å; L331-P346 HydrophobicContact CD1-CG 4.34Å; L331-P346 HydrophobicContact CD2-CG 4.08Å
347	H	97.9	Very high	90.8	Very high	32 Å²	32	46.8 Å²	46.8	15%	0.148	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.7	172.2	-64	-93.8	0	0	0	110	L274 F275 L276 Y345 T349 V360	L274-H347 PolarHBondContact O-N 2.76Å; F275-H347 HydrophobicContact CD1-CB 4.1Å; F275-H347 HydrophobicContact CE1-CB 4.25Å; L276-H347 PolarHBondContact N-O 3.34Å; Y345-H347 PolarHBondContact O-CD2 3.19Å; H347-T349 HydrophobicContact CB-CG2 4.21Å; H347-V360 HydrophobicContact CB-CG1 3.77Å
348	F	98.3	Very high	91.6	Very high	46 Å²	46	49.3 Å²	49.3	20%	0.202	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124	170.1	-62.6	-64.1	0	0	0	109	L276 Q279 K323 Y324 R327	L276-F348 HydrophobicContact CB-CD1 3.96Å; L276-F348 HydrophobicContact CB-CE1 4.44Å; L276-F348 HydrophobicContact CD1-CD1 3.76Å; L276-F348 HydrophobicContact CD1-CE1 3.46Å; L276-F348 VanDerWaalsContact CD1-CE1 3.46Å; L276-F348 HydrophobicContact CD1-CZ 4.3Å; Q279-F348 HydrophobicContact CG-CB 4Å; K323-F348 HydrophobicContact CB-CD1 4.09Å; K323-F348 HydrophobicContact CB-CE1 3.68Å; K323-F348 HydrophobicContact CB-CZ 4.31Å; K323-F348 HydrophobicContact CD-CD1 4.05Å; K323-F348 HydrophobicContact CD-CD2 4.32Å; K323-F348 HydrophobicContact CD-CE1 4.02Å; K323-F348 HydrophobicContact CD-CE2 4.28Å; K323-F348 HydrophobicContact CD-CG 4.2Å; K323-F348 HydrophobicContact CD-CZ 4.13Å; K323-F348 HydrophobicContact CG-CD1 4.14Å; K323-F348 HydrophobicContact CG-CE1 3.65Å; K323-F348 HydrophobicContact CG-CE2 4.38Å; K323-F348 HydrophobicContact CG-CZ 3.78Å; K323-F348 WeakPolarHBondContact O-CE1 3.33Å; Y324-F348 HydrophobicContact CD2-CE2 4.13Å; Y324-F348 AromaticContact CD2-CZ 3.82Å; Y324-F348 HydrophobicContact CD2-CZ 3.82Å; Y324-F348 HydrophobicContact CE1-CE2 4.44Å; Y324-F348 AromaticContact CE2-CE2 3.62Å; Y324-F348 HydrophobicContact CE2-CE2 3.62Å; Y324-F348 AromaticContact CE2-CZ 3.82Å; Y324-F348 HydrophobicContact CE2-CZ 3.82Å; Y324-F348 HydrophobicContact CG-CZ 4.2Å; Y324-F348 AromaticContact CZ-CE2 3.75Å; R327-F348 HydrophobicContact CB-CE1 4.21Å; R327-F348 HydrophobicContact CB-CZ 4.12Å; R327-F348 HydrophobicContact CG-CZ 4.44Å
349	T	98.2	Very high	93	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.			trans	-131.6	149.7	-172.2	60.5	0	0	0	0	113.7	F275 L276 N277 K278 Q279 H347 N356 I357 V360	F275-T349 HydrophobicContact CB-CG2 4.12Å; F275-T349 HydrophobicContact CD1-CG2 3.86Å; F275-T349 HydrophobicContact CD2-CG2 4.08Å; F275-T349 HydrophobicContact CE1-CG2 4.26Å; F275-T349 HydrophobicContact CE2-CG2 4.46Å; F275-T349 HydrophobicContact CG-CG2 3.76Å; L276-T349 PolarHBondContact O-N 3.04Å; N277-T349 CarbonylContact C-O 3.57Å; N277-T349 VanDerWaalsContact CA-O 3.26Å; N277-T349 WeakPolarHBondContact CA-O 3.24Å; N277-T349 VanDerWaalsContact CA-OG1 3.29Å; N277-T349 WeakPolarHBondContact CA-OG1 3.42Å; N277-T349 PolarHBondContact OD1-O 3.35Å; K278-T349 PolarHBondContact N-O 3.48Å; K278-T349 VanDerWaalsContact N-O 3.15Å; Q279-T349 WeakPolarHBondContact CG-O 3.46Å; Q279-T349 PolarHBondContact N-O 3.4Å; H347-T349 HydrophobicContact CB-CG2 4.21Å; T349-N356 WeakPolarHBondContact CA-OD1 3.48Å; T349-I357 HydrophobicContact CG2-CD1 4.37Å; T349-V360 HydrophobicContact CG2-CB 4.36Å; T349-V360 HydrophobicContact CG2-CG1 3.82Å; T349-V360 HydrophobicContact CG2-CG2 4.14Å
350	C	97.6	Very high	93.9	Very high	13 Å²	13	51.1 Å²	51.1	9%	0.088	24%	0.239	C	C	.	.			trans	-123.3	98.4	165.2	-177.4	0	0	0	0	107.9	D280 V352 D353 N356	D280-C350 PolarHBondContact OD1-SG 3.16Å; D280-C350 VanDerWaalsContact OD1-SG 3.32Å; C350-V352 PolarHBondContact O-N 3.03Å; C350-V352 VanDerWaalsContact SG-CG2 3.5Å; C350-D353 HydrophobicContact CB-CB 3.93Å; C350-D353 PolarHBondContact O-N 3.33Å; C350-N356 PolarHBondContact N-OD1 3.04Å
351	A	96.4	Very high	94.5	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.025	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.8	-174.1	0	0	0	0	0	113.9	T55 I56 Q59 N277	T55-A351 HydrophobicContact CG2-CB 3.78Å; T55-A351 VanDerWaalsContact CG2-O 3.3Å; T55-A351 WeakPolarHBondContact CG2-O 3.37Å; I56-A351 HydrophobicContact CD1-CB 3.62Å; I56-A351 HydrophobicContact CG1-CB 4.21Å; Q59-A351 VanDerWaalsContact CG-O 3.22Å; Q59-A351 WeakPolarHBondContact CG-O 3.47Å; Q59-A351 PolarHBondContact NE2-O 3Å; N277-A351 VanDerWaalsContact OD1-CB 3.29Å; N277-A351 WeakPolarHBondContact OD1-CB 3.47Å; N277-A351 PolarHBondContact OD1-N 3.31Å
352	V	94.9	Very high	94.7	Very high	23 Å²	23	46.6 Å²	46.6	14%	0.139	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.2	177.3	-61.2	0	0	0	0	112.7	T55 Q180 C350	T55-V352 HydrophobicContact CG2-CG1 3.98Å; Q180-V352 PolarHBondContact NE2-O 3.45Å; Q180-V352 PolarHBondContact OE1-O 2.83Å; C350-V352 PolarHBondContact O-N 3.03Å; C350-V352 VanDerWaalsContact SG-CG2 3.5Å
353	D	96.3	Very high	94.6	Very high	74 Å²	74	50.3 Å²	50.3	40%	0.396	24%	0.237	S	C	.	.			trans	-103.4	108.9	170.4	177.8	-12	0	0	0	108.9	C350 E355 N356 I357	C350-D353 HydrophobicContact CB-CB 3.93Å; C350-D353 PolarHBondContact O-N 3.33Å; D353-E355 VanDerWaalsContact C-N 3.3Å; D353-E355 PolarHBondContact O-N 2.93Å; D353-E355 PolarHBondContact OD1-N 3.04Å; D353-N356 HydrophobicContact CB-CB 3.82Å; D353-N356 PolarHBondContact O-N 3.34Å; D353-N356 PolarHBondContact OD1-N 3.46Å; D353-N356 VanDerWaalsContact OD1-N 3.08Å; D353-I357 PolarHBondContact O-N 3.24Å; D353-I357 VanDerWaalsContact O-N 3.13Å
354	T	94.5	Very high	94.5	Very high	38 Å²	38	45 Å²	45	23%	0.233	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-33.6	-177.7	-61	0	0	0	0	112.7	Q59 I62 L63 R358	Q59-T354 PolarHBondContact NE2-OG1 2.66Å; Q59-T354 PolarHBondContact OE1-OG1 2.78Å; I62-T354 HydrophobicContact CG2-CG2 4.36Å; L63-T354 HydrophobicContact CD2-CG2 3.65Å; L63-T354 HydrophobicContact CG-CG2 4.17Å; T354-R358 WeakPolarHBondContact O-CB 3.42Å; T354-R358 PolarHBondContact O-N 2.78Å
355	E	94.1	Very high	94.1	Very high	90 Å²	90	47.2 Å²	47.2	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-78	-38.5	-179	-172	53.8	-149.8	0	0	111.3	D353 I357 R358 R359	D353-E355 VanDerWaalsContact C-N 3.3Å; D353-E355 PolarHBondContact O-N 2.93Å; D353-E355 PolarHBondContact OD1-N 3.04Å; E355-I357 VanDerWaalsContact C-N 3.34Å; E355-I357 PolarHBondContact O-N 3.27Å; E355-R358 PolarHBondContact O-N 3.24Å; E355-R358 WeakPolarHBondContact OE2-CD 3.38Å; E355-R358 IonicContact OE2-CZ 3.01Å; E355-R358 IonicContact OE2-NE 3.96Å; E355-R358 PolarHBondContact OE2-NE 3.23Å; E355-R359 WeakPolarHBondContact O-CG 3.36Å; E355-R359 PolarHBondContact O-N 3.07Å
356	N	95.1	Very high	93.4	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-48.8	171.2	-179.3	-94.6	0	0	0	111.2	T349 C350 D353 R358 R359 V360	T349-N356 WeakPolarHBondContact CA-OD1 3.48Å; C350-N356 PolarHBondContact N-OD1 3.04Å; D353-N356 HydrophobicContact CB-CB 3.82Å; D353-N356 PolarHBondContact O-N 3.34Å; D353-N356 PolarHBondContact OD1-N 3.46Å; D353-N356 VanDerWaalsContact OD1-N 3.08Å; N356-R358 PolarHBondContact O-N 2.86Å; N356-R359 PolarHBondContact O-N 3.42Å; N356-V360 WeakPolarHBondContact O-CG2 3.4Å; N356-V360 PolarHBondContact O-N 2.86Å
357	I	95.4	Very high	92.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-36.8	179.3	-65.6	-52.6	0	0	0	112.4	I56 Q59 M60 L63 T349 D353 E355 R359 F361	I56-I357 HydrophobicContact CD1-CD1 3.44Å; I56-I357 VanDerWaalsContact CD1-CD1 3.44Å; I56-I357 HydrophobicContact CD1-CG1 4.07Å; Q59-I357 HydrophobicContact CB-CB 4.38Å; Q59-I357 HydrophobicContact CB-CG2 3.81Å; Q59-I357 HydrophobicContact CG-CB 4.3Å; Q59-I357 HydrophobicContact CG-CG1 4.16Å; Q59-I357 HydrophobicContact CG-CG2 4.22Å; M60-I357 HydrophobicContact CE-CG2 3.45Å; M60-I357 VanDerWaalsContact CE-CG2 3.45Å; L63-I357 HydrophobicContact CD1-CG2 4.48Å; T349-I357 HydrophobicContact CG2-CD1 4.37Å; D353-I357 PolarHBondContact O-N 3.24Å; D353-I357 VanDerWaalsContact O-N 3.13Å; E355-I357 VanDerWaalsContact C-N 3.34Å; E355-I357 PolarHBondContact O-N 3.27Å; I357-R359 PolarHBondContact O-N 3.05Å; I357-F361 WeakPolarHBondContact O-CB 3.38Å; I357-F361 PolarHBondContact O-N 2.82Å
358	R	93.7	Very high	92.3	Very high	109 Å²	109	46.3 Å²	46.3	41%	0.411	22%	0.221	S	C	.	.	H	α-helix	trans	-56.8	-49.7	173.1	-175.7	-162.7	-61.8	-92.4	-5.8	111.1	L63 T354 E355 N356 N362	L63-R358 HydrophobicContact CD1-CB 4.2Å; L63-R358 HydrophobicContact CD2-CB 4.29Å; L63-R358 HydrophobicContact CD2-CG 4.49Å; T354-R358 WeakPolarHBondContact O-CB 3.42Å; T354-R358 PolarHBondContact O-N 2.78Å; E355-R358 PolarHBondContact O-N 3.24Å; E355-R358 WeakPolarHBondContact OE2-CD 3.38Å; E355-R358 IonicContact OE2-CZ 3.01Å; E355-R358 IonicContact OE2-NE 3.96Å; E355-R358 PolarHBondContact OE2-NE 3.23Å; N356-R358 PolarHBondContact O-N 2.86Å; R358-N362 PolarHBondContact O-N 2.94Å; R358-N362 VanDerWaalsContact O-N 3.09Å; R358-N362 PolarHBondContact O-ND2 3.06Å
359	R	92	Very high	91.6	Very high	165 Å²	165	47.2 Å²	47.2	62%	0.623	23%	0.225	S	C	*	.	H	α-helix	trans	-64.7	-50.6	-178.6	-67.1	177.1	77	151.1	1.8	111.4	E355 N356 I357 F361 N362 D363	E355-R359 WeakPolarHBondContact O-CG 3.36Å; E355-R359 PolarHBondContact O-N 3.07Å; N356-R359 PolarHBondContact O-N 3.42Å; I357-R359 PolarHBondContact O-N 3.05Å; R359-F361 VanDerWaalsContact C-N 3.33Å; R359-F361 PolarHBondContact O-N 3.49Å; R359-N362 WeakPolarHBondContact O-CB 3.48Å; R359-N362 PolarHBondContact O-N 3.04Å; R359-N362 VanDerWaalsContact O-N 3.15Å; R359-D363 PolarHBondContact O-N 2.81Å
360	V	91.3	Very high	90.9	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-40.3	-179.6	172.9	0	0	0	0	111.7	F275 H347 T349 N356 N362 D363 C364	F275-V360 HydrophobicContact CD1-CG1 4.37Å; F275-V360 HydrophobicContact CE1-CG1 3.55Å; F275-V360 HydrophobicContact CZ-CG1 3.72Å; H347-V360 HydrophobicContact CB-CG1 3.77Å; T349-V360 HydrophobicContact CG2-CB 4.36Å; T349-V360 HydrophobicContact CG2-CG1 3.82Å; T349-V360 HydrophobicContact CG2-CG2 4.14Å; N356-V360 WeakPolarHBondContact O-CG2 3.4Å; N356-V360 PolarHBondContact O-N 2.86Å; V360-N362 VanDerWaalsContact C-N 3.34Å; V360-N362 PolarHBondContact O-N 3.32Å; V360-D363 PolarHBondContact O-N 3.42Å; V360-C364 PolarHBondContact O-N 3.18Å; V360-C364 PolarHBondContact O-SG 3.45Å
361	F	91	Very high	90.3	Very high	5 Å²	5	55.9 Å²	55.9	2%	0.022	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-36.9	177.6	-171	-98.9	0	0	0	112.2	L43 M60 F197 V199 F204 I357 R359 C364 R365	L43-F361 HydrophobicContact CD1-CE2 4.14Å; M60-F361 HydrophobicContact CE-CB 4.25Å; M60-F361 HydrophobicContact CE-CD2 3.98Å; M60-F361 HydrophobicContact CE-CG 4.07Å; M60-F361 HydrophobicContact SD-CD1 4.39Å; M60-F361 HydrophobicContact SD-CD2 3.88Å; M60-F361 HydrophobicContact SD-CE1 4.4Å; M60-F361 HydrophobicContact SD-CE2 3.88Å; M60-F361 HydrophobicContact SD-CG 4.14Å; M60-F361 HydrophobicContact SD-CZ 4.16Å; F197-F361 AromaticContact CE2-CE1 4Å; F197-F361 HydrophobicContact CE2-CE1 4Å; F197-F361 AromaticContact CE2-CZ 3.74Å; F197-F361 HydrophobicContact CE2-CZ 3.74Å; F197-F361 HydrophobicContact CZ-CE1 4.41Å; F197-F361 HydrophobicContact CZ-CE2 4.25Å; F197-F361 AromaticContact CZ-CZ 3.72Å; F197-F361 HydrophobicContact CZ-CZ 3.72Å; V199-F361 HydrophobicContact CG2-CE1 4.33Å; F204-F361 AromaticContact CD1-CZ 3.94Å; F204-F361 HydrophobicContact CD1-CZ 3.94Å; F204-F361 HydrophobicContact CD2-CZ 4.49Å; F204-F361 AromaticContact CE1-CZ 3.9Å; F204-F361 HydrophobicContact CE1-CZ 3.9Å; F204-F361 HydrophobicContact CE2-CZ 4.48Å; F204-F361 HydrophobicContact CG-CZ 4.23Å; F204-F361 HydrophobicContact CZ-CE1 4.38Å; F204-F361 HydrophobicContact CZ-CZ 4.19Å; I357-F361 WeakPolarHBondContact O-CB 3.38Å; I357-F361 PolarHBondContact O-N 2.82Å; R359-F361 VanDerWaalsContact C-N 3.33Å; R359-F361 PolarHBondContact O-N 3.49Å; F361-C364 WeakPolarHBondContact O-CB 3.32Å; F361-C364 PolarHBondContact O-N 3Å; F361-R365 PolarHBondContact O-N 3.16Å
362	N	89.1	Confident	89.6	Confident	62 Å²	62	56.3 Å²	56.3	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-42.2	173.5	-73.1	-23.6	0	0	0	111.8	R358 R359 V360 C364 R365	R358-N362 PolarHBondContact O-N 2.94Å; R358-N362 VanDerWaalsContact O-N 3.09Å; R358-N362 PolarHBondContact O-ND2 3.06Å; R359-N362 WeakPolarHBondContact O-CB 3.48Å; R359-N362 PolarHBondContact O-N 3.04Å; R359-N362 VanDerWaalsContact O-N 3.15Å; V360-N362 VanDerWaalsContact C-N 3.34Å; V360-N362 PolarHBondContact O-N 3.32Å; N362-C364 VanDerWaalsContact C-N 3.3Å; N362-C364 PolarHBondContact O-N 3.26Å; N362-R365 WeakPolarHBondContact O-CB 3.45Å; N362-R365 PolarHBondContact O-N 3Å; N362-R365 VanDerWaalsContact O-N 3.12Å
363	D	87.9	Confident	89	Confident	98 Å²	98	57.7 Å²	57.7	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-38.7	175.7	-63.2	-18.8	0	0	0	111.4	R359 V360 R365	R359-D363 PolarHBondContact O-N 2.81Å; V360-D363 PolarHBondContact O-N 3.42Å; D363-R365 PolarHBondContact O-N 3.45Å
364	C	90.3	Very high	88.4	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-24.3	176.2	-67.6	0	0	0	0	112.8	I273 V360 F361 N362 D366 I367 I368	I273-C364 HydrophobicContact CD1-CB 4.11Å; V360-C364 PolarHBondContact O-N 3.18Å; V360-C364 PolarHBondContact O-SG 3.45Å; F361-C364 WeakPolarHBondContact O-CB 3.32Å; F361-C364 PolarHBondContact O-N 3Å; N362-C364 VanDerWaalsContact C-N 3.3Å; N362-C364 PolarHBondContact O-N 3.26Å; C364-D366 PolarHBondContact O-N 3.43Å; C364-I367 WeakPolarHBondContact O-CB 3.47Å; C364-I367 PolarHBondContact O-N 2.93Å; C364-I368 HydrophobicContact CB-CD1 4.07Å; C364-I368 WeakPolarHBondContact O-CB 3.49Å; C364-I368 WeakPolarHBondContact O-CD1 3.31Å; C364-I368 WeakPolarHBondContact O-CG1 3.45Å; C364-I368 PolarHBondContact O-N 3.27Å
365	R	86.9	Confident	87.6	Confident	67 Å²	67	62.1 Å²	62.1	25%	0.253	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-44.3	-173.8	-171.4	177.4	67	-179.4	5.3	112.3	D200 F204 F361 N362 D363 I367 I368 Q369	D200-R365 IonicContact OD2-CZ 2.82Å; D200-R365 IonicContact OD2-NH1 2.7Å; D200-R365 PolarHBondContact OD2-NH1 2.87Å; D200-R365 IonicContact OD2-NH2 2.7Å; F204-R365 HydrophobicContact CZ-CG 4.36Å; F361-R365 PolarHBondContact O-N 3.16Å; N362-R365 WeakPolarHBondContact O-CB 3.45Å; N362-R365 PolarHBondContact O-N 3Å; N362-R365 VanDerWaalsContact O-N 3.12Å; D363-R365 PolarHBondContact O-N 3.45Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 3.33Å; R365-I368 PolarHBondContact O-N 3.41Å; R365-Q369 WeakPolarHBondContact O-CB 3.44Å; R365-Q369 PolarHBondContact O-N 2.9Å
366	D	81.9	Confident	87	Confident	93 Å²	93	60.8 Å²	60.8	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-37.2	-179.9	-73.4	-3.1	0	0	0	111.3	C364 R370	C364-D366 PolarHBondContact O-N 3.43Å; D366-R370 VanDerWaalsContact O-CG 3.31Å; D366-R370 WeakPolarHBondContact O-CG 3.42Å; D366-R370 PolarHBondContact O-N 2.87Å; D366-R370 VanDerWaalsContact O-N 3.12Å
367	I	86.3	Confident	86.2	Confident	34 Å²	34	67.5 Å²	67.5	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-51.1	175.3	-63.6	171.7	0	0	0	109.8	Y345 C364 R365 Q369 R370 M371	Y345-I367 HydrophobicContact CD1-CD1 3.71Å; Y345-I367 HydrophobicContact CD1-CG1 4.35Å; Y345-I367 HydrophobicContact CD1-CG2 4.13Å; Y345-I367 HydrophobicContact CD2-CG2 3.93Å; Y345-I367 HydrophobicContact CE1-CD1 4.29Å; Y345-I367 HydrophobicContact CE1-CG1 4.45Å; Y345-I367 HydrophobicContact CE1-CG2 4.05Å; Y345-I367 HydrophobicContact CE2-CG2 3.89Å; Y345-I367 HydrophobicContact CG-CD1 4.06Å; Y345-I367 HydrophobicContact CG-CG2 4.05Å; C364-I367 WeakPolarHBondContact O-CB 3.47Å; C364-I367 PolarHBondContact O-N 2.93Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 3.33Å; I367-Q369 PolarHBondContact O-N 2.99Å; I367-R370 PolarHBondContact O-N 2.89Å; I367-M371 HydrophobicContact CG2-CE 3.22Å; I367-M371 HydrophobicContact CG2-SD 4.07Å; I367-M371 VanDerWaalsContact O-CG 3.3Å; I367-M371 WeakPolarHBondContact O-CG 3.24Å; I367-M371 PolarHBondContact O-N 2.83Å
368	I	86.8	Confident	85.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-42.8	179.7	-67.3	161.7	0	0	0	110.9	H41 L43 F204 T227 A228 I273 C364 R365 R370 M371 H372	H41-I368 HydrophobicContact CB-CG2 3.98Å; L43-I368 HydrophobicContact CD1-CD1 4.09Å; L43-I368 HydrophobicContact CD2-CD1 3.91Å; L43-I368 HydrophobicContact CD2-CG1 4.18Å; L43-I368 HydrophobicContact CD2-CG2 4.23Å; F204-I368 HydrophobicContact CE1-CD1 4.41Å; F204-I368 HydrophobicContact CE1-CG2 4.24Å; T227-I368 HydrophobicContact CG2-CG2 4.01Å; A228-I368 HydrophobicContact CB-CG1 4.5Å; I273-I368 HydrophobicContact CD1-CD1 3.93Å; I273-I368 HydrophobicContact CD1-CG1 3.7Å; C364-I368 HydrophobicContact CB-CD1 4.07Å; C364-I368 WeakPolarHBondContact O-CB 3.49Å; C364-I368 WeakPolarHBondContact O-CD1 3.31Å; C364-I368 WeakPolarHBondContact O-CG1 3.45Å; C364-I368 PolarHBondContact O-N 3.27Å; R365-I368 PolarHBondContact O-N 3.41Å; I368-R370 VanDerWaalsContact C-N 3.34Å; I368-R370 PolarHBondContact O-N 3.38Å; I368-M371 WeakPolarHBondContact O-CB 3.43Å; I368-M371 PolarHBondContact O-N 2.98Å; I368-H372 WeakPolarHBondContact O-CB 3.25Å; I368-H372 PolarHBondContact O-N 2.84Å
369	Q	84.9	Confident	83.6	Confident	65 Å²	65	75.2 Å²	75.2	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-44.4	179.2	-168.5	70.1	19.8	0	0	111.2	H41 R365 I367 H372 L373	H41-Q369 PolarHBondContact NE2-OE1 3.22Å; R365-Q369 WeakPolarHBondContact O-CB 3.44Å; R365-Q369 PolarHBondContact O-N 2.9Å; I367-Q369 PolarHBondContact O-N 2.99Å; Q369-H372 PolarHBondContact O-N 2.85Å; Q369-L373 WeakPolarHBondContact O-CG 3.35Å; Q369-L373 PolarHBondContact O-N 3.5Å
370	R	82.6	Confident	83.2	Confident	173 Å²	173	70.8 Å²	70.8	65%	0.653	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-40.2	176.3	-70.2	175.7	-169.5	-177.1	5.1	112	D366 I367 I368 L373 R374 L379	D366-R370 VanDerWaalsContact O-CG 3.31Å; D366-R370 WeakPolarHBondContact O-CG 3.42Å; D366-R370 PolarHBondContact O-N 2.87Å; D366-R370 VanDerWaalsContact O-N 3.12Å; I367-R370 PolarHBondContact O-N 2.89Å; I368-R370 VanDerWaalsContact C-N 3.34Å; I368-R370 PolarHBondContact O-N 3.38Å; R370-L373 PolarHBondContact O-N 3.31Å; R370-R374 WeakPolarHBondContact O-CB 3.33Å; R370-R374 PolarHBondContact O-N 3.04Å; R370-L379 HydrophobicContact CB-CD1 4.23Å; R370-L379 WeakPolarHBondContact O-CD1 3.29Å
371	M	84.6	Confident	82.8	Confident	22 Å²	22	73.9 Å²	73.9	11%	0.108	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-46.5	175.4	-71.7	171.2	-175.7	0	0	111.7	T227 A228 Y345 I367 I368 R374 Q375	T227-M371 HydrophobicContact CG2-CB 4.35Å; A228-M371 HydrophobicContact CB-SD 3.84Å; Y345-M371 HydrophobicContact CD2-CE 3.7Å; Y345-M371 HydrophobicContact CE2-CE 3.07Å; I367-M371 HydrophobicContact CG2-CE 3.22Å; I367-M371 HydrophobicContact CG2-SD 4.07Å; I367-M371 VanDerWaalsContact O-CG 3.3Å; I367-M371 WeakPolarHBondContact O-CG 3.24Å; I367-M371 PolarHBondContact O-N 2.83Å; I368-M371 WeakPolarHBondContact O-CB 3.43Å; I368-M371 PolarHBondContact O-N 2.98Å; M371-R374 PolarHBondContact O-N 3.47Å; M371-Q375 PolarHBondContact O-N 3.23Å
372	H	82.4	Confident	82.3	Confident	11 Å²	11	77.7 Å²	77.7	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-46.2	179.4	-167	80.2	0	0	0	111.9	R38 H41 T227 I368 Q369 R374 Q375 Y376	R38-H372 PolarHBondContact O-CE1 3.18Å; R38-H372 PolarHBondContact O-NE2 3.18Å; H41-H372 AromaticContact CE1-CD2 3.39Å; H41-H372 PolarHBondContact CE1-CD2 3.33Å; H41-H372 AromaticContact CE1-CE1 3.99Å; H41-H372 AromaticContact CE1-CG 3.29Å; H41-H372 AromaticContact CE1-ND1 3.75Å; H41-H372 AromaticContact CE1-NE2 3.83Å; H41-H372 AromaticContact ND1-CD2 3.65Å; H41-H372 AromaticContact ND1-CE1 3.46Å; H41-H372 PolarHBondContact ND1-CE1 3.36Å; H41-H372 AromaticContact ND1-CG 3.28Å; H41-H372 VanDerWaalsContact ND1-CG 3.28Å; H41-H372 AromaticContact ND1-ND1 3.22Å; H41-H372 PolarHBondContact ND1-ND1 3.39Å; H41-H372 AromaticContact ND1-NE2 3.74Å; T227-H372 HydrophobicContact CG2-CB 3.76Å; T227-H372 PolarHBondContact OG1-ND1 3.39Å; I368-H372 WeakPolarHBondContact O-CB 3.25Å; I368-H372 PolarHBondContact O-N 2.84Å; Q369-H372 PolarHBondContact O-N 2.85Å; H372-R374 PolarHBondContact O-N 3.23Å; H372-Q375 WeakPolarHBondContact O-CB 3.32Å; H372-Q375 PolarHBondContact O-N 3.27Å; H372-Y376 AromaticContact CE1-CE2 3.48Å; H372-Y376 VanDerWaalsContact CE1-CE2 3.48Å; H372-Y376 WeakPolarHBondContact CE1-CE2 3.41Å; H372-Y376 AromaticContact NE2-CD2 3.87Å; H372-Y376 AromaticContact NE2-CE2 3.47Å; H372-Y376 WeakPolarHBondContact NE2-CE2 3.4Å; H372-Y376 VanDerWaalsContact O-CD2 3.32Å; H372-Y376 WeakPolarHBondContact O-CD2 3.33Å; H372-Y376 PolarHBondContact O-N 3.35Å
373	L	82.6	Confident	81.9	Confident	52 Å²	52	78.6 Å²	78.6	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-40.1	178.2	-67.5	172.3	0	0	0	112.2	Q369 R370 Q375 Y376 E377 L378 L379	Q369-L373 WeakPolarHBondContact O-CG 3.35Å; Q369-L373 PolarHBondContact O-N 3.5Å; R370-L373 PolarHBondContact O-N 3.31Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 2.56Å; L373-Y376 PolarHBondContact O-N 3.03Å; L373-E377 PolarHBondContact O-N 3.46Å; L373-L378 HydrophobicContact CB-CB 4.31Å; L373-L378 HydrophobicContact CD2-CB 4.15Å; L373-L378 HydrophobicContact CD2-CD1 3.87Å; L373-L378 PolarHBondContact O-N 3.02Å; L373-L379 HydrophobicContact CB-CD1 3.69Å; L373-L379 HydrophobicContact CB-CG 3.7Å; L373-L379 HydrophobicContact CD1-CD1 4.33Å; L373-L379 HydrophobicContact CD1-CG 4.34Å
374	R	81.9	Confident	81.6	Confident	133 Å²	133	77.4 Å²	77.4	50%	0.502	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-37.1	175.9	-169.7	178.5	-177.2	-165.2	-0.8	112.2	R370 M371 H372 Y376 E377	R370-R374 WeakPolarHBondContact O-CB 3.33Å; R370-R374 PolarHBondContact O-N 3.04Å; M371-R374 PolarHBondContact O-N 3.47Å; H372-R374 PolarHBondContact O-N 3.23Å; R374-Y376 PolarHBondContact O-N 3.14Å; R374-E377 PolarHBondContact O-N 2.81Å; R374-E377 VanDerWaalsContact O-N 3.16Å
375	Q	79.3	Confident	81	Confident	72 Å²	72	82.5 Å²	82.5	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-63.9	-27.1	177.5	-172.9	176.7	-1.2	0	0	112.8	M371 H372 L373	M371-Q375 PolarHBondContact O-N 3.23Å; H372-Q375 WeakPolarHBondContact O-CB 3.32Å; H372-Q375 PolarHBondContact O-N 3.27Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 2.56Å
376	Y	80.3	Confident	80.6	Confident	63 Å²	63	83.6 Å²	83.6	25%	0.247	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	13.5	176.7	-71.8	-72.6	0	0	0	113.9	R38 H372 L373 R374 L378	R38-Y376 HydrophobicContact CG-CE1 4.1Å; H372-Y376 AromaticContact CE1-CE2 3.48Å; H372-Y376 VanDerWaalsContact CE1-CE2 3.48Å; H372-Y376 WeakPolarHBondContact CE1-CE2 3.41Å; H372-Y376 AromaticContact NE2-CD2 3.87Å; H372-Y376 AromaticContact NE2-CE2 3.47Å; H372-Y376 WeakPolarHBondContact NE2-CE2 3.4Å; H372-Y376 VanDerWaalsContact O-CD2 3.32Å; H372-Y376 WeakPolarHBondContact O-CD2 3.33Å; H372-Y376 PolarHBondContact O-N 3.35Å; L373-Y376 PolarHBondContact O-N 3.03Å; R374-Y376 PolarHBondContact O-N 3.14Å; Y376-L378 PolarHBondContact O-N 2.96Å
377	E	78.6	Confident	80.4	Confident	181 Å²	181	82.9 Å²	82.9	85%	0.846	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	32.4	-179.5	-56.2	177.7	172.1	0	0	112.9	L373 R374	L373-E377 PolarHBondContact O-N 3.46Å; R374-E377 PolarHBondContact O-N 2.81Å; R374-E377 VanDerWaalsContact O-N 3.16Å
378	L	71.8	Confident	80	Confident	122 Å²	122	87 Å²	87	64%	0.639	40%	0.395	S	S	*	.			trans	-95.8	-3.9	178.2	-61.6	172.4	0	0	0	113.1	L373 Y376	L373-L378 HydrophobicContact CB-CB 4.31Å; L373-L378 HydrophobicContact CD2-CB 4.15Å; L373-L378 HydrophobicContact CD2-CD1 3.87Å; L373-L378 PolarHBondContact O-N 3.02Å; Y376-L378 PolarHBondContact O-N 2.96Å
379	L	63.8	Low	79.3	Confident	150 Å²	150	94.9 Å²	94.9	79%	0.785	43%	0.431	S	S	*	.			trans	-126.8	0	172.9	-71.2	174.9	0	0	0	108.9	R370 L373	R370-L379 HydrophobicContact CB-CD1 4.23Å; R370-L379 WeakPolarHBondContact O-CD1 3.29Å; L373-L379 HydrophobicContact CB-CD1 3.69Å; L373-L379 HydrophobicContact CB-CG 3.7Å; L373-L379 HydrophobicContact CD1-CD1 4.33Å; L373-L379 HydrophobicContact CD1-CG 4.34Å

Retrieved 379 of 379 residues in 162 ms (Link to these results)

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