A0A087Y8A8_POEFO Loading...

Divergent protein kinase domain 2Ab

AlphaFold DB (A0A3B5QHZ7), UniProt , Accession A0A087Y8A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 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	36.2	Very low	49.7	Very low	242 Å²	242	155.7 Å²	155.7	100%	1.192	76%	0.758	S	S	*	*				0	133.9	0	-77.9	-177.8	177.6	0	0	109
2	L	38.4	Very low	51.2	Low	141 Å²	141	153.6 Å²	153.6	74%	0.738	75%	0.751	S	S	*	*			trans	-68.1	132.7	-159.8	-83.8	75.2	0	0	0	114.2	F4	L2-F4 HydrophobicContact CB-CD2 4.1Å; L2-F4 HydrophobicContact CB-CE2 3.91Å; L2-F4 HydrophobicContact CD2-CD2 4.33Å; L2-F4 HydrophobicContact CD2-CE1 4.32Å; L2-F4 HydrophobicContact CD2-CE2 3.52Å; L2-F4 HydrophobicContact CD2-CZ 3.51Å; L2-F4 HydrophobicContact CG-CE2 4.38Å
3	R	37.3	Very low	53	Low	245 Å²	245	152.5 Å²	152.5	93%	0.925	74%	0.736	S	S	*	*			trans	-85.8	114.1	155.8	-77.6	179.3	172.3	178	-2.5	108.3
4	F	44.2	Very low	54.8	Low	182 Å²	182	153.5 Å²	153.5	80%	0.798	73%	0.728	S	S	*	*			trans	-87.7	120.5	170.8	-83.7	-85.1	0	0	0	110.5	L2	L2-F4 HydrophobicContact CB-CD2 4.1Å; L2-F4 HydrophobicContact CB-CE2 3.91Å; L2-F4 HydrophobicContact CD2-CD2 4.33Å; L2-F4 HydrophobicContact CD2-CE1 4.32Å; L2-F4 HydrophobicContact CD2-CE2 3.52Å; L2-F4 HydrophobicContact CD2-CZ 3.51Å; L2-F4 HydrophobicContact CG-CE2 4.38Å
5	L	47.5	Very low	56.5	Low	134 Å²	134	148.4 Å²	148.4	70%	0.702	71%	0.714	S	S	*	*			trans	-69.6	134	174.6	-86.8	85.4	0	0	0	112.2	L7	L5-L7 HydrophobicContact CD2-CB 4.14Å; L5-L7 HydrophobicContact CD2-CD1 3.96Å; L5-L7 PolarHBondContact O-N 3.28Å
6	P	49	Very low	58	Low	130 Å²	130	146.2 Å²	146.2	84%	0.844	71%	0.706	S	S	*	*			trans	-96.5	50.6	166	38.7	-31.6	0	0	0	111.2
7	L	50.3	Low	59.4	Low	98 Å²	98	144.2 Å²	144.2	51%	0.513	69%	0.694	S	S	.	*			trans	-105.3	1.3	-176.8	-106	119.8	0	0	0	114.9	L5	L5-L7 HydrophobicContact CD2-CB 4.14Å; L5-L7 HydrophobicContact CD2-CD1 3.96Å; L5-L7 PolarHBondContact O-N 3.28Å
8	K	58.7	Low	60.8	Low	181 Å²	181	142.2 Å²	142.2	79%	0.787	69%	0.687	S	S	*	*	S	Bend	trans	-95.5	-32.7	-173.7	-71.1	-172.4	176.1	-178.3	0	114.8	L12	K8-L12 PolarHBondContact O-N 2.96Å
9	L	56.1	Low	62	Low	153 Å²	153	140.9 Å²	140.9	80%	0.801	68%	0.683	S	S	*	*	H	α-helix	trans	-68	-44.2	-173.5	-126.9	84.1	0	0	0	113.3	R11 L12 Y13	L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.34Å; L9-L12 PolarHBondContact O-N 2.85Å; L9-Y13 PolarHBondContact O-N 2.88Å
10	G	61.7	Low	63.1	Low	39 Å²	39	139.4 Å²	139.4	40%	0.402	68%	0.678	S	S	.	*	H	α-helix	trans	-73	-19.6	-178	0	0	0	0	0	115	R14	G10-R14 WeakPolarHBondContact O-CG 3.24Å; G10-R14 PolarHBondContact O-N 3.1Å; G10-R14 PolarHBondContact O-NE 2.73Å; G10-R14 VanDerWaalsContact O-NE 3.09Å
11	R	66.9	Low	64.1	Low	168 Å²	168	136.9 Å²	136.9	63%	0.634	67%	0.67	S	S	*	*	H	α-helix	trans	-81.7	-39.3	170.5	-73.8	-174.7	-173	178	2.9	111.1	L9 R14 C15	L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.34Å; R11-R14 PolarHBondContact O-N 3.36Å; R11-C15 PolarHBondContact O-N 3.18Å
12	L	68.8	Low	66.4	Low	130 Å²	130	130 Å²	130	68%	0.681	64%	0.638	S	S	*	*	H	α-helix	trans	-61	-46.2	175.6	-141.1	96.3	0	0	0	111.1	K8 L9 R14 C15 L16	K8-L12 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 2.85Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.24Å; L12-C15 PolarHBondContact O-N 2.95Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 3.37Å
13	Y	74.1	Confident	68.5	Low	139 Å²	139	124.8 Å²	124.8	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-61.7	-39.1	177.1	-177.7	-104.5	0	0	0	112.9	L9 L16 K17	L9-Y13 PolarHBondContact O-N 2.88Å; Y13-L16 PolarHBondContact O-N 3.37Å; Y13-K17 HydrophobicContact CD1-CD 4.36Å; Y13-K17 HydrophobicContact CE1-CD 3.79Å; Y13-K17 VanDerWaalsContact CE1-CE 3.41Å; Y13-K17 HydrophobicContact CE1-CG 4.43Å; Y13-K17 PolarHBondContact O-N 2.83Å; Y13-K17 WeakPolarHBondContact OH-CE 3.12Å; Y13-K17 PolarHBondContact OH-NZ 3.46Å
14	R	78.4	Confident	70.4	Confident	167 Å²	167	117.6 Å²	117.6	63%	0.63	60%	0.597	S	S	*	*	H	α-helix	trans	-68.5	-41.7	175.3	-82.4	-174.8	-90.9	-167.4	-9.1	112.5	G10 R11 L12 K17 L18	G10-R14 WeakPolarHBondContact O-CG 3.24Å; G10-R14 PolarHBondContact O-N 3.1Å; G10-R14 PolarHBondContact O-NE 2.73Å; G10-R14 VanDerWaalsContact O-NE 3.09Å; R11-R14 PolarHBondContact O-N 3.36Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.24Å; R14-K17 PolarHBondContact O-N 3.06Å; R14-L18 WeakPolarHBondContact O-CB 3.19Å; R14-L18 PolarHBondContact O-N 3.25Å
15	C	80.5	Confident	72	Confident	77 Å²	77	111.2 Å²	111.2	52%	0.52	58%	0.576	S	S	.	*	H	α-helix	trans	-62.6	-42.2	172.7	-85.8	0	0	0	0	111.7	R11 L12 L18 L19	R11-C15 PolarHBondContact O-N 3.18Å; L12-C15 PolarHBondContact O-N 2.95Å; C15-L18 PolarHBondContact O-N 2.85Å; C15-L19 WeakPolarHBondContact O-CB 3.48Å; C15-L19 VanDerWaalsContact O-CG 3.31Å; C15-L19 WeakPolarHBondContact O-CG 3.32Å; C15-L19 PolarHBondContact O-N 3.23Å
16	L	80.4	Confident	73.4	Confident	113 Å²	113	108.6 Å²	108.6	59%	0.592	57%	0.565	S	S	*	*	H	α-helix	trans	-63.9	-43.5	178	-156.6	78.9	0	0	0	111.2	L12 Y13 L19 L20	L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 3.37Å; Y13-L16 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 3.37Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 PolarHBondContact O-N 3.07Å
17	K	80.5	Confident	74.6	Confident	113 Å²	113	107.2 Å²	107.2	49%	0.491	55%	0.55	S	S	.	.	H	α-helix	trans	-59.6	-45.1	172.1	-85	-171.5	169	177	0	112.3	Y13 R14 L20 V21	Y13-K17 HydrophobicContact CD1-CD 4.36Å; Y13-K17 HydrophobicContact CE1-CD 3.79Å; Y13-K17 VanDerWaalsContact CE1-CE 3.41Å; Y13-K17 HydrophobicContact CE1-CG 4.43Å; Y13-K17 PolarHBondContact O-N 2.83Å; Y13-K17 WeakPolarHBondContact OH-CE 3.12Å; Y13-K17 PolarHBondContact OH-NZ 3.46Å; R14-K17 PolarHBondContact O-N 3.06Å; K17-L20 PolarHBondContact O-N 2.92Å; K17-V21 WeakPolarHBondContact O-CB 3.43Å; K17-V21 VanDerWaalsContact O-CG2 3.25Å; K17-V21 WeakPolarHBondContact O-CG2 3.28Å; K17-V21 PolarHBondContact O-N 3.07Å
18	L	85.4	Confident	75.4	Confident	108 Å²	108	107.6 Å²	107.6	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-63.3	-44.4	178.1	-101.9	148.3	0	0	0	112.1	R14 C15 L20 V21 L22	R14-L18 WeakPolarHBondContact O-CB 3.19Å; R14-L18 PolarHBondContact O-N 3.25Å; C15-L18 PolarHBondContact O-N 2.85Å; L18-L20 VanDerWaalsContact C-N 3.31Å; L18-L20 PolarHBondContact O-N 3.49Å; L18-V21 PolarHBondContact O-N 3.5Å; L18-L22 HydrophobicContact CD2-CD1 4.5Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 2.88Å
19	L	83.7	Confident	75.9	Confident	118 Å²	118	104.7 Å²	104.7	62%	0.618	54%	0.544	S	S	*	.	H	α-helix	trans	-64.1	-37.3	176	-74.4	168.7	0	0	0	111.8	C15 L16 G23	C15-L19 WeakPolarHBondContact O-CB 3.48Å; C15-L19 VanDerWaalsContact O-CG 3.31Å; C15-L19 WeakPolarHBondContact O-CG 3.32Å; C15-L19 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.37Å; L19-G23 PolarHBondContact O-N 3.39Å
20	L	83.8	Confident	76.4	Confident	110 Å²	110	104.4 Å²	104.4	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-71	-40.2	177.3	-158.3	144.7	0	0	0	111.4	L16 K17 L18 G23 L24	L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 PolarHBondContact O-N 3.07Å; K17-L20 PolarHBondContact O-N 2.92Å; L18-L20 VanDerWaalsContact C-N 3.31Å; L18-L20 PolarHBondContact O-N 3.49Å; L20-G23 PolarHBondContact O-N 2.04Å; L20-L24 HydrophobicContact CD2-CD1 3.67Å; L20-L24 HydrophobicContact CD2-CG 4.32Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.35Å
21	V	84.9	Confident	76.3	Confident	86 Å²	86	105.7 Å²	105.7	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-46.3	172.9	170.4	0	0	0	0	110.9	K17 L18 L24 S25	K17-V21 WeakPolarHBondContact O-CB 3.43Å; K17-V21 VanDerWaalsContact O-CG2 3.25Å; K17-V21 WeakPolarHBondContact O-CG2 3.28Å; K17-V21 PolarHBondContact O-N 3.07Å; L18-V21 PolarHBondContact O-N 3.5Å; V21-L24 PolarHBondContact O-N 3.31Å; V21-S25 WeakPolarHBondContact O-CB 3.49Å; V21-S25 PolarHBondContact O-N 3.44Å; V21-S25 PolarHBondContact O-OG 3.07Å
22	L	84.3	Confident	76.1	Confident	99 Å²	99	100.4 Å²	100.4	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-43	175.2	-82.7	159.7	0	0	0	111.6	L18 S25 V26	L18-L22 HydrophobicContact CD2-CD1 4.5Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 2.88Å; L22-S25 WeakPolarHBondContact O-CB 3Å; L22-S25 PolarHBondContact O-N 3.34Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.06Å
23	G	81.9	Confident	75.7	Confident	31 Å²	31	101.3 Å²	101.3	32%	0.32	53%	0.525	S	S	.	.	H	α-helix	trans	-59.5	-48.9	173.9	0	0	0	0	0	112.1	L19 L20 S25 V26 I27	L19-G23 PolarHBondContact O-N 3.39Å; L20-G23 PolarHBondContact O-N 2.04Å; G23-S25 VanDerWaalsContact C-N 3.28Å; G23-S25 PolarHBondContact O-N 2.95Å; G23-V26 PolarHBondContact O-N 2.87Å; G23-I27 WeakPolarHBondContact O-CB 3.32Å; G23-I27 WeakPolarHBondContact O-CD1 3.23Å; G23-I27 WeakPolarHBondContact O-CG1 3.4Å; G23-I27 PolarHBondContact O-N 3.32Å
24	L	78.1	Confident	74.9	Confident	93 Å²	93	99.6 Å²	99.6	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-38.3	174.1	-76.6	168.9	0	0	0	112.1	L20 V21 I27 L28	L20-L24 HydrophobicContact CD2-CD1 3.67Å; L20-L24 HydrophobicContact CD2-CG 4.32Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.35Å; V21-L24 PolarHBondContact O-N 3.31Å; L24-I27 PolarHBondContact O-N 3.3Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 3.3Å
25	S	76.1	Confident	73.9	Confident	49 Å²	49	93.5 Å²	93.5	34%	0.343	51%	0.505	S	S	.	.	H	α-helix	trans	-69.9	-42	-179.2	-55	0	0	0	0	111.5	V21 L22 G23 L28 L29	V21-S25 WeakPolarHBondContact O-CB 3.49Å; V21-S25 PolarHBondContact O-N 3.44Å; V21-S25 PolarHBondContact O-OG 3.07Å; L22-S25 WeakPolarHBondContact O-CB 3Å; L22-S25 PolarHBondContact O-N 3.34Å; G23-S25 VanDerWaalsContact C-N 3.28Å; G23-S25 PolarHBondContact O-N 2.95Å; S25-L28 PolarHBondContact O-N 3.28Å; S25-L29 VanDerWaalsContact O-CB 3.32Å; S25-L29 WeakPolarHBondContact O-CB 3.37Å; S25-L29 VanDerWaalsContact O-CG 3.24Å; S25-L29 WeakPolarHBondContact O-CG 3.06Å; S25-L29 PolarHBondContact O-N 3.27Å
26	V	77.9	Confident	73	Confident	78 Å²	78	96.4 Å²	96.4	47%	0.473	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-42.8	174.2	171.3	0	0	0	0	110.5	L22 G23 L28 L29 M30	L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.06Å; G23-V26 PolarHBondContact O-N 2.87Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.42Å; V26-L29 PolarHBondContact O-N 2.62Å; V26-M30 HydrophobicContact CG1-CG 4.27Å; V26-M30 HydrophobicContact CG1-SD 4.03Å; V26-M30 WeakPolarHBondContact O-CB 3.48Å; V26-M30 VanDerWaalsContact O-CG 3.29Å; V26-M30 WeakPolarHBondContact O-CG 3.35Å; V26-M30 PolarHBondContact O-N 3.45Å
27	I	73	Confident	72	Confident	102 Å²	102	93 Å²	93	52%	0.523	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.3	-68.9	164.9	0	0	0	111	G23 L24 N31	G23-I27 WeakPolarHBondContact O-CB 3.32Å; G23-I27 WeakPolarHBondContact O-CD1 3.23Å; G23-I27 WeakPolarHBondContact O-CG1 3.4Å; G23-I27 PolarHBondContact O-N 3.32Å; L24-I27 PolarHBondContact O-N 3.3Å; I27-N31 WeakPolarHBondContact O-CB 3.24Å; I27-N31 PolarHBondContact O-N 3.03Å; I27-N31 VanDerWaalsContact O-N 3.12Å; I27-N31 PolarHBondContact O-ND2 3.08Å
28	L	67.9	Low	71	Confident	105 Å²	105	88.2 Å²	88.2	55%	0.55	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-50.3	175.2	-109.3	133.7	0	0	0	111	L24 S25 V26 N31 T32 L35	L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 3.3Å; S25-L28 PolarHBondContact O-N 3.28Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.42Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 3.17Å; L28-N31 VanDerWaalsContact O-N 3.13Å; L28-T32 WeakPolarHBondContact O-CG2 3.39Å; L28-T32 PolarHBondContact O-N 3Å; L28-L35 HydrophobicContact CD2-CD1 4.31Å
29	L	69.9	Low	70	Confident	120 Å²	120	87.1 Å²	87.1	63%	0.628	47%	0.468	S	S	*	.	H	α-helix	trans	-61.3	-45.3	-179.6	-75.6	167.6	0	0	0	112.3	S25 V26 N31 T32	S25-L29 VanDerWaalsContact O-CB 3.32Å; S25-L29 WeakPolarHBondContact O-CB 3.37Å; S25-L29 VanDerWaalsContact O-CG 3.24Å; S25-L29 WeakPolarHBondContact O-CG 3.06Å; S25-L29 PolarHBondContact O-N 3.27Å; V26-L29 PolarHBondContact O-N 2.62Å; L29-N31 PolarHBondContact O-N 3.09Å; L29-T32 HydrophobicContact CD2-CG2 4.47Å; L29-T32 PolarHBondContact O-N 3.34Å; L29-T32 PolarHBondContact O-OG1 2.99Å
30	M	65.1	Low	69.3	Low	147 Å²	147	89.2 Å²	89.2	72%	0.724	48%	0.475	S	S	*	.	H	α-helix	trans	-64.1	-28.2	175.9	-72	-172.7	80	0	0	112.6	V26	V26-M30 HydrophobicContact CG1-CG 4.27Å; V26-M30 HydrophobicContact CG1-SD 4.03Å; V26-M30 WeakPolarHBondContact O-CB 3.48Å; V26-M30 VanDerWaalsContact O-CG 3.29Å; V26-M30 WeakPolarHBondContact O-CG 3.35Å; V26-M30 PolarHBondContact O-N 3.45Å
31	N	60.6	Low	69.1	Low	67 Å²	67	89.7 Å²	89.7	36%	0.358	47%	0.472	S	S	.	.	H	α-helix	trans	-99.1	2.2	178.2	-72	-62.7	0	0	0	114.1	I27 L28 L29 H33 N34 L35	I27-N31 WeakPolarHBondContact O-CB 3.24Å; I27-N31 PolarHBondContact O-N 3.03Å; I27-N31 VanDerWaalsContact O-N 3.12Å; I27-N31 PolarHBondContact O-ND2 3.08Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 3.17Å; L28-N31 VanDerWaalsContact O-N 3.13Å; L29-N31 PolarHBondContact O-N 3.09Å; N31-H33 VanDerWaalsContact C-N 3.32Å; N31-H33 PolarHBondContact O-N 3.01Å; N31-N34 CarbonylContact O-C 3.59Å; N31-N34 PolarHBondContact O-N 3.13Å; N31-N34 VanDerWaalsContact O-N 3.08Å; N31-L35 HydrophobicContact CB-CD1 4.2Å; N31-L35 HydrophobicContact CB-CG 4.39Å; N31-L35 WeakPolarHBondContact O-CB 3.3Å; N31-L35 VanDerWaalsContact O-CG 3.28Å; N31-L35 WeakPolarHBondContact O-CG 3.39Å; N31-L35 PolarHBondContact O-N 2.71Å
32	T	63	Low	69.1	Low	57 Å²	57	87.4 Å²	87.4	35%	0.35	46%	0.457	S	S	.	.	H	α-helix	trans	-55.5	-45.2	-178.5	46.2	0	0	0	0	112.1	L28 L29 N34 L35 F36	L28-T32 WeakPolarHBondContact O-CG2 3.39Å; L28-T32 PolarHBondContact O-N 3Å; L29-T32 HydrophobicContact CD2-CG2 4.47Å; L29-T32 PolarHBondContact O-N 3.34Å; L29-T32 PolarHBondContact O-OG1 2.99Å; T32-N34 PolarHBondContact O-N 3.32Å; T32-L35 PolarHBondContact O-N 3.38Å; T32-F36 WeakPolarHBondContact O-CB 3.27Å; T32-F36 VanDerWaalsContact O-CD2 3.31Å; T32-F36 WeakPolarHBondContact O-CD2 3.34Å; T32-F36 PolarHBondContact O-N 3.17Å
33	H	59.1	Low	69.2	Low	149 Å²	149	85 Å²	85	69%	0.69	44%	0.444	S	S	*	.	H	α-helix	trans	-62.9	-41.2	177.9	-172.5	-81.2	0	0	0	112.1	N31 A37	N31-H33 VanDerWaalsContact C-N 3.32Å; N31-H33 PolarHBondContact O-N 3.01Å; H33-A37 WeakPolarHBondContact O-CB 3.4Å; H33-A37 PolarHBondContact O-N 2.99Å
34	N	57.7	Low	69.7	Low	103 Å²	103	83.6 Å²	83.6	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-69.2	-38.3	176.5	-69.4	-25.6	0	0	0	111.9	N31 T32 S38	N31-N34 CarbonylContact O-C 3.59Å; N31-N34 PolarHBondContact O-N 3.13Å; N31-N34 VanDerWaalsContact O-N 3.08Å; T32-N34 PolarHBondContact O-N 3.32Å; N34-S38 VanDerWaalsContact O-CB 3.32Å; N34-S38 WeakPolarHBondContact O-CB 3.43Å; N34-S38 PolarHBondContact O-N 3.28Å
35	L	58.6	Low	70.4	Confident	39 Å²	39	81.4 Å²	81.4	20%	0.204	42%	0.419	C	S	.	.	H	α-helix	trans	-64.4	-52	176	-74.6	163.8	0	0	0	110.5	L28 N31 T32 A37 S38 F39 L80 F82	L28-L35 HydrophobicContact CD2-CD1 4.31Å; N31-L35 HydrophobicContact CB-CD1 4.2Å; N31-L35 HydrophobicContact CB-CG 4.39Å; N31-L35 WeakPolarHBondContact O-CB 3.3Å; N31-L35 VanDerWaalsContact O-CG 3.28Å; N31-L35 WeakPolarHBondContact O-CG 3.39Å; N31-L35 PolarHBondContact O-N 2.71Å; T32-L35 PolarHBondContact O-N 3.38Å; L35-A37 PolarHBondContact O-N 2.88Å; L35-S38 PolarHBondContact O-N 3.25Å; L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 2.62Å; L35-L80 HydrophobicContact CD2-CD2 3.77Å; L35-F82 HydrophobicContact CD2-CE1 4.44Å
36	F	60.6	Low	71.2	Confident	138 Å²	138	81.6 Å²	81.6	61%	0.605	42%	0.416	S	S	*	.	H	α-helix	trans	-62.1	-42.4	177.7	-88.6	-78.3	0	0	0	112.2	T32 S38 F39 Q40	T32-F36 WeakPolarHBondContact O-CB 3.27Å; T32-F36 VanDerWaalsContact O-CD2 3.31Å; T32-F36 WeakPolarHBondContact O-CD2 3.34Å; T32-F36 PolarHBondContact O-N 3.17Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 2.69Å; F36-F39 PolarHBondContact O-N 2.74Å; F36-Q40 WeakPolarHBondContact O-CB 3.47Å; F36-Q40 WeakPolarHBondContact O-CG 3.36Å; F36-Q40 PolarHBondContact O-N 3.07Å
37	A	59.6	Low	72	Confident	40 Å²	40	85 Å²	85	33%	0.331	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-38.8	176.4	0	0	0	0	0	112.5	H33 L35 F39 Q40 K41	H33-A37 WeakPolarHBondContact O-CB 3.4Å; H33-A37 PolarHBondContact O-N 2.99Å; L35-A37 PolarHBondContact O-N 2.88Å; A37-F39 VanDerWaalsContact C-N 3.28Å; A37-F39 PolarHBondContact O-N 3.27Å; A37-Q40 PolarHBondContact O-N 3.04Å; A37-K41 PolarHBondContact O-N 2.9Å
38	S	59.5	Low	72.9	Confident	13 Å²	13	89.4 Å²	89.4	9%	0.091	43%	0.431	C	S	.	.	H	α-helix	trans	-68.4	-24.7	179.3	-154.6	0	0	0	0	113.6	N34 L35 F36 R79	N34-S38 VanDerWaalsContact O-CB 3.32Å; N34-S38 WeakPolarHBondContact O-CB 3.43Å; N34-S38 PolarHBondContact O-N 3.28Å; L35-S38 PolarHBondContact O-N 3.25Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 2.69Å; S38-R79 WeakPolarHBondContact CB-O 3.39Å; S38-R79 PolarHBondContact OG-O 3.12Å
39	F	64.2	Low	74	Confident	86 Å²	86	85.9 Å²	85.9	38%	0.377	41%	0.411	S	S	.	.	H	α-helix	trans	-88.6	-23.1	172.8	-75.9	-74.9	0	0	0	113.7	L35 F36 A37 T76 R79 L80	L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 2.62Å; F36-F39 PolarHBondContact O-N 2.74Å; A37-F39 VanDerWaalsContact C-N 3.28Å; A37-F39 PolarHBondContact O-N 3.27Å; F39-T76 HydrophobicContact CE1-CG2 4.43Å; F39-R79 HydrophobicContact CD1-CB 4.27Å; F39-R79 HydrophobicContact CE1-CB 3.97Å; F39-R79 HydrophobicContact CZ-CB 4.35Å; F39-L80 HydrophobicContact CE2-CD2 3.56Å; F39-L80 HydrophobicContact CZ-CD2 3.65Å; F39-L80 HydrophobicContact CZ-CG 4.16Å
40	Q	69.4	Low	75.1	Confident	162 Å²	162	80.2 Å²	80.2	76%	0.757	38%	0.381	S	S	*	.	H	α-helix	trans	-89.3	-32.2	-179.2	-74.4	-178.9	-19.3	0	0	113.8	F36 A37	F36-Q40 WeakPolarHBondContact O-CB 3.47Å; F36-Q40 WeakPolarHBondContact O-CG 3.36Å; F36-Q40 PolarHBondContact O-N 3.07Å; A37-Q40 PolarHBondContact O-N 3.04Å
41	K	79.1	Confident	76.5	Confident	119 Å²	119	74.2 Å²	74.2	52%	0.517	35%	0.352	S	S	.	.	S	Bend	trans	-111.6	129.3	-176.7	-170.3	-177.5	176.4	-166.7	0	111.2	A37 E43 D46	A37-K41 PolarHBondContact O-N 2.9Å; K41-E43 PolarHBondContact O-N 3.5Å; K41-E43 VanDerWaalsContact O-N 3.15Å; K41-D46 IonicContact NZ-OD2 2.81Å
42	N	85.9	Confident	78.2	Confident	38 Å²	38	72.1 Å²	72.1	20%	0.203	34%	0.341	C	S	.	.			trans	-77.8	97	169.3	-175.3	4.8	0	0	0	110.3	L44 T45 V72	N42-L44 PolarHBondContact O-N 2.85Å; N42-L44 VanDerWaalsContact O-N 3.14Å; N42-L44 WeakPolarHBondContact OD1-CB 3.34Å; N42-L44 PolarHBondContact OD1-N 3.3Å; N42-T45 HydrophobicContact CB-CG2 4.09Å; N42-T45 WeakPolarHBondContact O-CB 3.47Å; N42-T45 PolarHBondContact O-N 3.35Å; N42-T45 PolarHBondContact O-OG1 3.27Å; N42-V72 PolarHBondContact ND2-O 3.16Å
43	E	87.1	Confident	79.6	Confident	50 Å²	50	72.9 Å²	72.9	23%	0.234	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-58.6	-24.3	-179.8	-63.2	-170.7	153.5	0	0	113.8	K41 T45 D46 F49 F74 R81	K41-E43 PolarHBondContact O-N 3.5Å; K41-E43 VanDerWaalsContact O-N 3.15Å; E43-T45 PolarHBondContact O-N 2.95Å; E43-T45 VanDerWaalsContact O-N 3.16Å; E43-D46 VanDerWaalsContact O-CB 3.29Å; E43-D46 WeakPolarHBondContact O-CB 3.35Å; E43-D46 PolarHBondContact O-N 2.74Å; E43-F49 HydrophobicContact CB-CD1 4.4Å; E43-F49 HydrophobicContact CB-CD2 4.16Å; E43-F49 HydrophobicContact CB-CE2 4.45Å; E43-F49 HydrophobicContact CB-CG 4.14Å; E43-F49 WeakPolarHBondContact O-CB 3.03Å; E43-F49 WeakPolarHBondContact OE2-CE2 3.43Å; E43-F74 HydrophobicContact CB-CE2 4.35Å; E43-R81 VanDerWaalsContact OE2-CD 3.27Å; E43-R81 WeakPolarHBondContact OE2-CD 3.41Å; E43-R81 IonicContact OE2-CZ 3.1Å; E43-R81 IonicContact OE2-NE 2.62Å; E43-R81 PolarHBondContact OE2-NE 3.42Å; E43-R81 IonicContact OE2-NH1 3.08Å
44	L	91.4	Very high	81.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.4	176.9	-63.2	178.4	0	0	0	113.2	N42 D46 F49 I50 F67 V72 F74 L108	N42-L44 PolarHBondContact O-N 2.85Å; N42-L44 VanDerWaalsContact O-N 3.14Å; N42-L44 WeakPolarHBondContact OD1-CB 3.34Å; N42-L44 PolarHBondContact OD1-N 3.3Å; L44-D46 VanDerWaalsContact C-N 3.31Å; L44-F49 HydrophobicContact CD2-CD1 4.16Å; L44-F49 HydrophobicContact CD2-CE1 3.77Å; L44-I50 HydrophobicContact CD2-CG2 4.37Å; L44-F67 HydrophobicContact CB-CD1 3.99Å; L44-F67 HydrophobicContact CB-CE1 4.4Å; L44-F67 HydrophobicContact CD2-CD1 4.5Å; L44-F67 HydrophobicContact CD2-CE1 4.17Å; L44-V72 HydrophobicContact CD1-CB 4.39Å; L44-V72 HydrophobicContact CD1-CG1 3.81Å; L44-F74 HydrophobicContact CD1-CD1 4.16Å; L44-F74 HydrophobicContact CD1-CD2 4.45Å; L44-F74 HydrophobicContact CD1-CE1 4.12Å; L44-F74 HydrophobicContact CD1-CE2 4.43Å; L44-F74 HydrophobicContact CD1-CG 4.32Å; L44-F74 HydrophobicContact CD1-CZ 4.27Å; L44-F74 HydrophobicContact CD2-CE1 3.77Å; L44-F74 HydrophobicContact CD2-CE2 3.86Å; L44-F74 HydrophobicContact CD2-CZ 3.36Å; L44-F74 HydrophobicContact CG-CD2 4.19Å; L44-F74 HydrophobicContact CG-CE1 4.14Å; L44-F74 HydrophobicContact CG-CE2 3.81Å; L44-F74 HydrophobicContact CG-CZ 3.79Å; L44-L108 HydrophobicContact CD1-CD1 3.51Å; L44-L108 HydrophobicContact CD2-CD1 3.81Å; L44-L108 HydrophobicContact CG-CD1 4.34Å
45	T	93.1	Very high	83.1	Confident	47 Å²	47	64.1 Å²	64.1	29%	0.288	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-78.9	-15.4	171.4	65	0	0	0	0	112.6	N42 E43 F67 M68	N42-T45 HydrophobicContact CB-CG2 4.09Å; N42-T45 WeakPolarHBondContact O-CB 3.47Å; N42-T45 PolarHBondContact O-N 3.35Å; N42-T45 PolarHBondContact O-OG1 3.27Å; E43-T45 PolarHBondContact O-N 2.95Å; E43-T45 VanDerWaalsContact O-N 3.16Å; T45-F67 WeakPolarHBondContact CG2-O 3.31Å; T45-M68 VanDerWaalsContact O-CE 3.31Å; T45-M68 WeakPolarHBondContact O-CE 3.31Å; T45-M68 VanDerWaalsContact O-SD 3.41Å
46	D	92.7	Very high	84.8	Confident	54 Å²	54	62.5 Å²	62.5	29%	0.289	29%	0.293	S	S	.	.			trans	-83.4	119.2	-177.8	-166.7	-35.3	0	0	0	111.2	K41 E43 L44 R48 F49 I50	K41-D46 IonicContact NZ-OD2 2.81Å; E43-D46 VanDerWaalsContact O-CB 3.29Å; E43-D46 WeakPolarHBondContact O-CB 3.35Å; E43-D46 PolarHBondContact O-N 2.74Å; L44-D46 VanDerWaalsContact C-N 3.31Å; D46-R48 PolarHBondContact O-N 3.07Å; D46-R48 WeakPolarHBondContact OD1-CB 3.48Å; D46-R48 PolarHBondContact OD1-N 3.02Å; D46-F49 HydrophobicContact CB-CB 3.91Å; D46-F49 WeakPolarHBondContact O-CB 3.28Å; D46-F49 PolarHBondContact O-N 2.8Å; D46-F49 VanDerWaalsContact O-N 3.11Å; D46-I50 PolarHBondContact O-N 2.74Å
47	R	94.1	Very high	86.4	Confident	148 Å²	148	56 Å²	56	56%	0.558	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.1	179.9	-60.7	-178.1	65.8	149.3	0.1	113	N51 L52 N53 M68	R47-N51 PolarHBondContact O-N 2.95Å; R47-L52 HydrophobicContact CB-CB 4.25Å; R47-L52 HydrophobicContact CG-CD2 4.13Å; R47-L52 PolarHBondContact O-N 3.39Å; R47-N53 PolarHBondContact O-OD1 3.48Å; R47-M68 HydrophobicContact CG-CE 4.39Å; R47-M68 HydrophobicContact CG-SD 3.83Å
48	R	92.2	Very high	88.1	Confident	196 Å²	196	54 Å²	54	74%	0.74	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-37.7	178.4	-67.3	-177.3	178.1	-178.7	0.5	111.2	D46 N51 N53	D46-R48 PolarHBondContact O-N 3.07Å; D46-R48 WeakPolarHBondContact OD1-CB 3.48Å; D46-R48 PolarHBondContact OD1-N 3.02Å; R48-N51 PolarHBondContact O-N 3.11Å; R48-N51 VanDerWaalsContact O-N 3.16Å; R48-N51 PolarHBondContact O-OD1 3.24Å; R48-N53 WeakPolarHBondContact CA-OD1 3.38Å
49	F	90.7	Very high	89.8	Confident	30 Å²	30	53.6 Å²	53.6	13%	0.132	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-50.5	179.4	-180	-92.6	0	0	0	111.3	E43 L44 D46 N51 F74 R81 R110 M238	E43-F49 HydrophobicContact CB-CD1 4.4Å; E43-F49 HydrophobicContact CB-CD2 4.16Å; E43-F49 HydrophobicContact CB-CE2 4.45Å; E43-F49 HydrophobicContact CB-CG 4.14Å; E43-F49 WeakPolarHBondContact O-CB 3.03Å; E43-F49 WeakPolarHBondContact OE2-CE2 3.43Å; L44-F49 HydrophobicContact CD2-CD1 4.16Å; L44-F49 HydrophobicContact CD2-CE1 3.77Å; D46-F49 HydrophobicContact CB-CB 3.91Å; D46-F49 WeakPolarHBondContact O-CB 3.28Å; D46-F49 PolarHBondContact O-N 2.8Å; D46-F49 VanDerWaalsContact O-N 3.11Å; F49-N51 PolarHBondContact O-N 2.69Å; F49-F74 HydrophobicContact CE1-CE2 4.18Å; F49-F74 AromaticContact CE1-CZ 3.74Å; F49-F74 HydrophobicContact CE1-CZ 3.74Å; F49-F74 HydrophobicContact CZ-CE2 4.1Å; F49-F74 AromaticContact CZ-CZ 3.76Å; F49-F74 HydrophobicContact CZ-CZ 3.76Å; F49-R81 VanDerWaalsContact CE2-CZ 3.44Å; F49-R110 PolarHBondContact O-NH2 2.67Å; F49-M238 HydrophobicContact CE1-CE 4Å
50	I	93.7	Very high	91.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.4	178	66.8	-176	0	0	0	113.4	L44 D46 L52 F67 M68 C235 G236 R237 M238	L44-I50 HydrophobicContact CD2-CG2 4.37Å; D46-I50 PolarHBondContact O-N 2.74Å; I50-L52 HydrophobicContact CD1-CB 4.13Å; I50-L52 HydrophobicContact CG1-CB 3.9Å; I50-L52 PolarHBondContact O-N 3.03Å; I50-F67 HydrophobicContact CG2-CD1 4.17Å; I50-F67 HydrophobicContact CG2-CE1 4.37Å; I50-M68 HydrophobicContact CD1-CE 3.44Å; I50-M68 VanDerWaalsContact CD1-CE 3.44Å; I50-C235 HydrophobicContact CD1-CB 4.11Å; I50-C235 WeakPolarHBondContact CD1-SG 3.43Å; I50-G236 WeakPolarHBondContact O-CA 3.43Å; I50-R237 PolarHBondContact O-N 3.02Å; I50-M238 HydrophobicContact CB-CB 4.38Å; I50-M238 HydrophobicContact CG2-CB 4.47Å
51	N	94.9	Very high	92.5	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.118	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	32.4	-176.7	-66.1	-58.2	0	0	0	114.5	R47 R48 F49 N53 K54 R237	R47-N51 PolarHBondContact O-N 2.95Å; R48-N51 PolarHBondContact O-N 3.11Å; R48-N51 VanDerWaalsContact O-N 3.16Å; R48-N51 PolarHBondContact O-OD1 3.24Å; F49-N51 PolarHBondContact O-N 2.69Å; N51-N53 PolarHBondContact O-N 3.43Å; N51-K54 HydrophobicContact CB-CD 4.07Å; N51-K54 HydrophobicContact CB-CG 4.23Å; N51-K54 PolarHBondContact O-N 3.3Å; N51-K54 VanDerWaalsContact O-N 3.11Å; N51-K54 WeakPolarHBondContact OD1-CE 3.18Å; N51-R237 HydrophobicContact CB-CB 4.04Å; N51-R237 HydrophobicContact CB-CG 3.99Å
52	L	95.3	Very high	93.3	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.2	-28	175.1	-178.7	60.4	0	0	0	111.7	R47 I50 K54 C55 T61 C64	R47-L52 HydrophobicContact CB-CB 4.25Å; R47-L52 HydrophobicContact CG-CD2 4.13Å; R47-L52 PolarHBondContact O-N 3.39Å; I50-L52 HydrophobicContact CD1-CB 4.13Å; I50-L52 HydrophobicContact CG1-CB 3.9Å; I50-L52 PolarHBondContact O-N 3.03Å; L52-K54 PolarHBondContact O-N 2.96Å; L52-C55 PolarHBondContact O-N 3.33Å; L52-T61 HydrophobicContact CD1-CG2 4.11Å; L52-C64 VanDerWaalsContact CD1-SG 3.59Å
53	N	93.9	Very high	93.7	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-70.4	-1.7	174.2	66.6	-64.5	0	0	0	114.1	R47 R48 N51	R47-N53 PolarHBondContact O-OD1 3.48Å; R48-N53 WeakPolarHBondContact CA-OD1 3.38Å; N51-N53 PolarHBondContact O-N 3.43Å
54	K	94.4	Very high	94.1	Very high	44 Å²	44	39 Å²	39	19%	0.191	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-98.7	-7.9	174	-60.2	-170.3	-180	-175.3	0	113.2	N51 L52 A57 D121 L136	N51-K54 HydrophobicContact CB-CD 4.07Å; N51-K54 HydrophobicContact CB-CG 4.23Å; N51-K54 PolarHBondContact O-N 3.3Å; N51-K54 VanDerWaalsContact O-N 3.11Å; N51-K54 WeakPolarHBondContact OD1-CE 3.18Å; L52-K54 PolarHBondContact O-N 2.96Å; K54-A57 WeakPolarHBondContact O-CA 3.12Å; K54-A57 VanDerWaalsContact O-CB 3.27Å; K54-A57 WeakPolarHBondContact O-CB 3.33Å; K54-A57 PolarHBondContact O-N 3Å; K54-D121 IonicContact NZ-OD2 3.45Å; K54-D121 PolarHBondContact NZ-OD2 2.97Å; K54-L136 HydrophobicContact CB-CD1 4.36Å; K54-L136 HydrophobicContact CD-CD1 3.85Å; K54-L136 HydrophobicContact CG-CD1 4.14Å
55	C	94.9	Very high	94.3	Very high	25 Å²	25	48.5 Å²	48.5	17%	0.169	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	138.5	178.2	-69	0	0	0	0	111.2	L52 C58	L52-C55 PolarHBondContact O-N 3.33Å; C55-C58 VanDerWaalsContact CA-SG 3.53Å; C55-C58 HydrophobicContact CB-CB 4.08Å; C55-C58 WeakPolarHBondContact CB-SG 3.28Å; C55-C58 WeakPolarHBondContact SG-CB 3.47Å; C55-C58 CovalentContact SG-SG 2.04Å; C55-C58 PolarHBondContact SG-SG 3.47Å
56	P	93.5	Very high	94.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.032	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.3	2.4	15.5	33.4	-35.5	0	0	0	115.9	C58 M140 Y141 T199 M202	P56-C58 PolarHBondContact O-N 2.88Å; P56-M140 HydrophobicContact CG-CB 3.81Å; P56-M140 HydrophobicContact CG-CG 4.11Å; P56-Y141 HydrophobicContact CG-CE2 4.23Å; P56-T199 HydrophobicContact CB-CG2 4.22Å; P56-M202 HydrophobicContact CB-CB 4.14Å; P56-M202 HydrophobicContact CB-SD 4.2Å; P56-M202 HydrophobicContact CG-SD 3.81Å
57	A	94.5	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-76	59.5	171	0	0	0	0	0	111.7	K54 I124 M140 M206 R237	K54-A57 WeakPolarHBondContact O-CA 3.12Å; K54-A57 VanDerWaalsContact O-CB 3.27Å; K54-A57 WeakPolarHBondContact O-CB 3.33Å; K54-A57 PolarHBondContact O-N 3Å; A57-I124 HydrophobicContact CB-CD1 4.06Å; A57-M140 HydrophobicContact CB-CG 3.69Å; A57-M140 HydrophobicContact CB-SD 3.78Å; A57-M206 WeakPolarHBondContact CA-SD 3.44Å; A57-M206 HydrophobicContact CB-CE 4.31Å; A57-M206 HydrophobicContact CB-SD 4.06Å; A57-R237 PolarHBondContact O-NE 3.33Å; A57-R237 PolarHBondContact O-NH2 3.47Å
58	C	95.1	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-148.8	173.9	-175.1	73.3	0	0	0	0	111.9	C55 P56 Q203 M206 G236 R237	C55-C58 VanDerWaalsContact CA-SG 3.53Å; C55-C58 HydrophobicContact CB-CB 4.08Å; C55-C58 WeakPolarHBondContact CB-SG 3.28Å; C55-C58 WeakPolarHBondContact SG-CB 3.47Å; C55-C58 CovalentContact SG-SG 2.04Å; C55-C58 PolarHBondContact SG-SG 3.47Å; P56-C58 PolarHBondContact O-N 2.88Å; C58-Q203 WeakPolarHBondContact O-CG 3.39Å; C58-Q203 PolarHBondContact SG-NE2 3.02Å; C58-Q203 VanDerWaalsContact SG-NE2 3.37Å; C58-M206 PolarHBondContact N-SD 3.13Å; C58-G236 WeakPolarHBondContact CB-O 3.32Å; C58-R237 HydrophobicContact CB-CG 4.23Å
59	F	95.4	Very high	94.5	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.018	19%	0.185	C	C	.	.	S	Bend	trans	-90.4	-18.1	-175	-54.4	-47.6	0	0	0	114	R110 L111 L117 T207 F210 A234 G236 R237 V239	F59-R110 WeakPolarHBondContact CE2-O 3.49Å; F59-L111 HydrophobicContact CD1-CD1 3.98Å; F59-L111 HydrophobicContact CD2-CD1 3.61Å; F59-L111 HydrophobicContact CD2-CG 4.23Å; F59-L111 HydrophobicContact CE1-CD1 4.05Å; F59-L111 HydrophobicContact CE2-CB 3.99Å; F59-L111 HydrophobicContact CE2-CD1 3.69Å; F59-L111 HydrophobicContact CE2-CG 4.02Å; F59-L111 HydrophobicContact CG-CD1 3.79Å; F59-L111 HydrophobicContact CZ-CB 4.07Å; F59-L111 HydrophobicContact CZ-CD1 3.91Å; F59-L111 HydrophobicContact CZ-CG 4.44Å; F59-L117 HydrophobicContact CZ-CD2 4.24Å; F59-T207 HydrophobicContact CD1-CG2 4.42Å; F59-F210 AromaticContact CE1-CD1 3.69Å; F59-F210 HydrophobicContact CE1-CD1 3.69Å; F59-F210 HydrophobicContact CE1-CE1 4.33Å; F59-F210 AromaticContact CZ-CD1 3.65Å; F59-F210 HydrophobicContact CZ-CD1 3.65Å; F59-F210 AromaticContact CZ-CE1 3.81Å; F59-F210 HydrophobicContact CZ-CE1 3.81Å; F59-A234 HydrophobicContact CB-CB 4.48Å; F59-G236 PolarHBondContact N-O 3.43Å; F59-R237 VanDerWaalsContact CD2-CA 3.44Å; F59-R237 HydrophobicContact CD2-CB 3.98Å; F59-R237 HydrophobicContact CD2-CG 4.44Å; F59-R237 HydrophobicContact CE2-CB 3.73Å; F59-R237 HydrophobicContact CE2-CG 4.2Å; F59-V239 HydrophobicContact CB-CG2 3.91Å; F59-V239 HydrophobicContact CD2-CG2 4.19Å; F59-V239 HydrophobicContact CG-CG2 4.33Å
60	G	95.3	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	161.4	-177.8	176.7	0	0	0	0	0	114.4	E184 C235 G236	G60-E184 WeakPolarHBondContact CA-OE2 3.4Å; G60-C235 CarbonylContact O-C 3.3Å; G60-C235 WeakPolarHBondContact O-CA 3.34Å; G60-G236 PolarHBondContact O-N 3Å
61	T	95.6	Very high	94.5	Very high	58 Å²	58	39.9 Å²	39.9	36%	0.356	21%	0.206	S	C	.	.			trans	-143	0.4	-176	60.3	0	0	0	0	114.8	L52 W63 C64 E184 A234	L52-T61 HydrophobicContact CD1-CG2 4.11Å; T61-W63 PolarHBondContact O-N 3.25Å; T61-W63 VanDerWaalsContact O-N 3.15Å; T61-C64 WeakPolarHBondContact O-CB 3.2Å; T61-C64 PolarHBondContact O-N 2.86Å; T61-C64 VanDerWaalsContact O-N 3.1Å; T61-E184 PolarHBondContact N-OE2 2.78Å; T61-A234 CarbonylContact C-O 3.58Å; T61-A234 VanDerWaalsContact C-O 3.27Å; T61-A234 WeakPolarHBondContact CA-O 3.35Å
62	S	94.8	Very high	94.5	Very high	53 Å²	53	38.8 Å²	38.8	37%	0.371	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.3	-175.9	64.2	0	0	0	0	113.4	E184 G233 A234	S62-E184 WeakPolarHBondContact CB-OE1 3.19Å; S62-E184 VanDerWaalsContact CB-OE2 3.23Å; S62-E184 WeakPolarHBondContact CB-OE2 3.38Å; S62-E184 PolarHBondContact N-OE2 2.94Å; S62-E184 PolarHBondContact OG-OE1 2.91Å; S62-E184 PolarHBondContact OG-OE2 3.17Å; S62-G233 VanDerWaalsContact OG-CA 3.27Å; S62-G233 WeakPolarHBondContact OG-CA 3.41Å; S62-A234 PolarHBondContact N-O 2.92Å; S62-A234 PolarHBondContact OG-N 2.91Å
63	W	95.2	Very high	94.3	Very high	20 Å²	20	39 Å²	39	8%	0.076	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.4	-177.8	-96.9	41.4	0	0	0	114.3	T61 R65 K66 F67 V72 Y96 L232 A234 A240	T61-W63 PolarHBondContact O-N 3.25Å; T61-W63 VanDerWaalsContact O-N 3.15Å; W63-R65 PolarHBondContact O-N 2.76Å; W63-R65 VanDerWaalsContact O-N 3.1Å; W63-K66 HydrophobicContact CD2-CD 3.64Å; W63-K66 HydrophobicContact CE3-CD 4.1Å; W63-K66 HydrophobicContact CG-CD 3.94Å; W63-K66 HydrophobicContact CH2-CD 4.35Å; W63-K66 HydrophobicContact CZ2-CD 3.91Å; W63-K66 HydrophobicContact CZ3-CD 4.45Å; W63-K66 WeakPolarHBondContact O-CB 3.37Å; W63-K66 PolarHBondContact O-N 3.2Å; W63-F67 HydrophobicContact CB-CD2 4.19Å; W63-F67 HydrophobicContact CB-CE2 4.07Å; W63-F67 HydrophobicContact CE3-CE2 4.02Å; W63-F67 WeakPolarHBondContact O-CD2 3.05Å; W63-F67 PolarHBondContact O-N 2.88Å; W63-V72 HydrophobicContact CE3-CG2 4.42Å; W63-V72 HydrophobicContact CZ3-CG2 4.28Å; W63-Y96 HydrophobicContact CH2-CD1 4.31Å; W63-Y96 HydrophobicContact CH2-CD2 4.47Å; W63-Y96 HydrophobicContact CH2-CG 4.26Å; W63-Y96 HydrophobicContact CZ3-CD2 4.5Å; W63-L232 HydrophobicContact CD2-CB 4.43Å; W63-L232 HydrophobicContact CH2-CB 3.63Å; W63-L232 HydrophobicContact CH2-CD1 3.62Å; W63-L232 HydrophobicContact CH2-CG 4.21Å; W63-L232 HydrophobicContact CZ2-CB 3.42Å; W63-L232 VanDerWaalsContact CZ2-CB 3.42Å; W63-L232 HydrophobicContact CZ2-CD1 4.17Å; W63-L232 HydrophobicContact CZ2-CG 4.28Å; W63-L232 HydrophobicContact CZ3-CB 4.2Å; W63-L232 HydrophobicContact CZ3-CD1 4.27Å; W63-L232 PolarHBondContact NE1-O 3.07Å; W63-A234 PolarHBondContact N-O 2.89Å; W63-A240 HydrophobicContact CD2-CB 4.36Å; W63-A240 HydrophobicContact CE3-CB 3.56Å; W63-A240 HydrophobicContact CZ3-CB 3.69Å
64	C	96	Very high	94	Very high	16 Å²	16	35.9 Å²	35.9	11%	0.108	19%	0.187	C	C	.	.	H	α-helix	trans	-56.2	-36.5	-174.2	-76	0	0	0	0	114.1	L52 T61 K66 F67 M68 C235	L52-C64 VanDerWaalsContact CD1-SG 3.59Å; T61-C64 WeakPolarHBondContact O-CB 3.2Å; T61-C64 PolarHBondContact O-N 2.86Å; T61-C64 VanDerWaalsContact O-N 3.1Å; C64-K66 VanDerWaalsContact C-N 3.28Å; C64-K66 PolarHBondContact O-N 3.07Å; C64-F67 PolarHBondContact O-N 3.34Å; C64-M68 WeakPolarHBondContact O-CB 3.37Å; C64-M68 VanDerWaalsContact O-CG 3.23Å; C64-M68 WeakPolarHBondContact O-CG 3.36Å; C64-M68 PolarHBondContact O-N 2.73Å; C64-C235 WeakPolarHBondContact CA-SG 3.33Å; C64-C235 HydrophobicContact CB-CB 3.94Å; C64-C235 WeakPolarHBondContact CB-SG 3.31Å; C64-C235 WeakPolarHBondContact SG-CA 3.48Å; C64-C235 WeakPolarHBondContact SG-CB 3.42Å; C64-C235 CovalentContact SG-SG 2.04Å; C64-C235 PolarHBondContact SG-SG 3.28Å
65	R	94.4	Very high	93.5	Very high	201 Å²	201	36 Å²	36	76%	0.758	19%	0.189	S	C	*	.	H	α-helix	trans	-60.3	-38.1	176.5	-170.8	175.8	-178.3	-177.6	-0.2	112.2	W63 N69	W63-R65 PolarHBondContact O-N 2.76Å; W63-R65 VanDerWaalsContact O-N 3.1Å; R65-N69 VanDerWaalsContact O-CB 3.22Å; R65-N69 WeakPolarHBondContact O-CB 3.09Å; R65-N69 PolarHBondContact O-N 3.34Å; R65-N69 PolarHBondContact O-ND2 3.3Å; R65-N69 PolarHBondContact O-OD1 3.11Å
66	K	94.3	Very high	92.2	Very high	49 Å²	49	39 Å²	39	21%	0.213	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-41.7	179	-60.1	176.2	-176.8	-71.7	0	111.3	W63 C64 Q71 V72 Y96 E98	W63-K66 HydrophobicContact CD2-CD 3.64Å; W63-K66 HydrophobicContact CE3-CD 4.1Å; W63-K66 HydrophobicContact CG-CD 3.94Å; W63-K66 HydrophobicContact CH2-CD 4.35Å; W63-K66 HydrophobicContact CZ2-CD 3.91Å; W63-K66 HydrophobicContact CZ3-CD 4.45Å; W63-K66 WeakPolarHBondContact O-CB 3.37Å; W63-K66 PolarHBondContact O-N 3.2Å; C64-K66 VanDerWaalsContact C-N 3.28Å; C64-K66 PolarHBondContact O-N 3.07Å; K66-Q71 HydrophobicContact CB-CB 4.47Å; K66-Q71 WeakPolarHBondContact O-CB 3.31Å; K66-Q71 PolarHBondContact O-N 3.39Å; K66-V72 HydrophobicContact CB-CG2 4.36Å; K66-Y96 HydrophobicContact CB-CE2 4.22Å; K66-Y96 HydrophobicContact CD-CE2 3.8Å; K66-Y96 HydrophobicContact CG-CE2 4.2Å; K66-Y96 PolarHBondContact NZ-OH 2.94Å; K66-E98 IonicContact NZ-OE1 3.26Å
67	F	94.9	Very high	90.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-52.1	174.3	-80.3	-104.8	0	0	0	111.8	L44 T45 I50 W63 C64 N69 G70 V72 L108 C235 M238	L44-F67 HydrophobicContact CB-CD1 3.99Å; L44-F67 HydrophobicContact CB-CE1 4.4Å; L44-F67 HydrophobicContact CD2-CD1 4.5Å; L44-F67 HydrophobicContact CD2-CE1 4.17Å; T45-F67 WeakPolarHBondContact CG2-O 3.31Å; I50-F67 HydrophobicContact CG2-CD1 4.17Å; I50-F67 HydrophobicContact CG2-CE1 4.37Å; W63-F67 HydrophobicContact CB-CD2 4.19Å; W63-F67 HydrophobicContact CB-CE2 4.07Å; W63-F67 HydrophobicContact CE3-CE2 4.02Å; W63-F67 WeakPolarHBondContact O-CD2 3.05Å; W63-F67 PolarHBondContact O-N 2.88Å; C64-F67 PolarHBondContact O-N 3.34Å; F67-N69 VanDerWaalsContact C-N 3.28Å; F67-N69 PolarHBondContact O-N 3.24Å; F67-G70 PolarHBondContact O-N 3.34Å; F67-V72 HydrophobicContact CD2-CG2 4.25Å; F67-V72 HydrophobicContact CE1-CG1 4.48Å; F67-V72 HydrophobicContact CE2-CG2 4.32Å; F67-L108 HydrophobicContact CE1-CD1 4.28Å; F67-L108 HydrophobicContact CZ-CD2 3.95Å; F67-C235 HydrophobicContact CD2-CB 3.91Å; F67-C235 HydrophobicContact CE2-CB 4.21Å; F67-C235 HydrophobicContact CG-CB 4.18Å; F67-M238 HydrophobicContact CE1-CG 4.13Å; F67-M238 HydrophobicContact CZ-CG 4.17Å
68	M	94.6	Very high	88.7	Confident	62 Å²	62	49 Å²	49	31%	0.305	25%	0.25	S	C	.	.	H	α-helix	trans	-65.7	-30.6	-176.4	-63.1	-60.2	101.6	0	0	112.8	T45 R47 I50 C64 G70	T45-M68 VanDerWaalsContact O-CE 3.31Å; T45-M68 WeakPolarHBondContact O-CE 3.31Å; T45-M68 VanDerWaalsContact O-SD 3.41Å; R47-M68 HydrophobicContact CG-CE 4.39Å; R47-M68 HydrophobicContact CG-SD 3.83Å; I50-M68 HydrophobicContact CD1-CE 3.44Å; I50-M68 VanDerWaalsContact CD1-CE 3.44Å; C64-M68 WeakPolarHBondContact O-CB 3.37Å; C64-M68 VanDerWaalsContact O-CG 3.23Å; C64-M68 WeakPolarHBondContact O-CG 3.36Å; C64-M68 PolarHBondContact O-N 2.73Å; M68-G70 PolarHBondContact O-N 3.2Å
69	N	93.2	Very high	86.9	Confident	100 Å²	100	52.5 Å²	52.5	54%	0.535	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.4	175.1	-70.8	-1.9	0	0	0	113.5	R65 F67 Q71	R65-N69 VanDerWaalsContact O-CB 3.22Å; R65-N69 WeakPolarHBondContact O-CB 3.09Å; R65-N69 PolarHBondContact O-N 3.34Å; R65-N69 PolarHBondContact O-ND2 3.3Å; R65-N69 PolarHBondContact O-OD1 3.11Å; F67-N69 VanDerWaalsContact C-N 3.28Å; F67-N69 PolarHBondContact O-N 3.24Å; N69-Q71 HydrophobicContact CB-CG 4.02Å; N69-Q71 PolarHBondContact O-N 3.48Å
70	G	91.3	Very high	85.1	Confident	34 Å²	34	53.5 Å²	53.5	35%	0.351	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	17.1	-178.8	0	0	0	0	0	114.4	F67 M68 V72	F67-G70 PolarHBondContact O-N 3.34Å; M68-G70 PolarHBondContact O-N 3.2Å; G70-V72 VanDerWaalsContact C-N 3.27Å; G70-V72 PolarHBondContact O-N 3.34Å
71	Q	93.7	Very high	83.3	Confident	49 Å²	49	56.6 Å²	56.6	23%	0.229	28%	0.28	C	S	.	.			trans	-74.4	-20.2	179.9	-61.2	-179.7	-48.1	0	0	112.5	K66 N69 Y96 G97	K66-Q71 HydrophobicContact CB-CB 4.47Å; K66-Q71 WeakPolarHBondContact O-CB 3.31Å; K66-Q71 PolarHBondContact O-N 3.39Å; N69-Q71 HydrophobicContact CB-CG 4.02Å; N69-Q71 PolarHBondContact O-N 3.48Å; Q71-Y96 HydrophobicContact CB-CD2 4.16Å; Q71-Y96 HydrophobicContact CB-CE2 3.91Å; Q71-Y96 CarbonylContact O-C 3.51Å; Q71-Y96 WeakPolarHBondContact O-CA 3.47Å; Q71-G97 PolarHBondContact O-N 2.9Å
72	V	93.4	Very high	81.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.4	174.4	-171.6	0	0	0	0	108.2	N42 L44 W63 K66 F67 G70 A94 Q95 Y96 V106 L108	N42-V72 PolarHBondContact ND2-O 3.16Å; L44-V72 HydrophobicContact CD1-CB 4.39Å; L44-V72 HydrophobicContact CD1-CG1 3.81Å; W63-V72 HydrophobicContact CE3-CG2 4.42Å; W63-V72 HydrophobicContact CZ3-CG2 4.28Å; K66-V72 HydrophobicContact CB-CG2 4.36Å; F67-V72 HydrophobicContact CD2-CG2 4.25Å; F67-V72 HydrophobicContact CE1-CG1 4.48Å; F67-V72 HydrophobicContact CE2-CG2 4.32Å; G70-V72 VanDerWaalsContact C-N 3.27Å; G70-V72 PolarHBondContact O-N 3.34Å; V72-A94 HydrophobicContact CG1-CB 4.15Å; V72-Q95 CarbonylContact C-O 3.41Å; V72-Q95 WeakPolarHBondContact CA-O 3.48Å; V72-Y96 HydrophobicContact CG2-CD2 3.82Å; V72-V106 HydrophobicContact CG1-CG2 4.35Å; V72-L108 HydrophobicContact CG1-CD1 4.08Å; V72-L108 HydrophobicContact CG1-CD2 4.24Å
73	S	91.1	Very high	79.3	Confident	27 Å²	27	60.4 Å²	60.4	19%	0.189	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148.6	178.8	68.6	0	0	0	0	111.4	A94 Q95	S73-A94 CarbonylContact O-C 3.56Å; S73-A94 VanDerWaalsContact O-CA 3.25Å; S73-A94 WeakPolarHBondContact O-CA 3.45Å; S73-A94 VanDerWaalsContact O-CB 3.27Å; S73-A94 WeakPolarHBondContact O-CB 3.31Å; S73-Q95 PolarHBondContact N-O 3.23Å; S73-Q95 PolarHBondContact O-N 3.27Å
74	F	88.5	Confident	77.5	Confident	7 Å²	7	61.1 Å²	61.1	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144	177.1	-67.9	-58.2	0	0	0	112.2	E43 L44 F49 R79 Y92 L108	E43-F74 HydrophobicContact CB-CE2 4.35Å; L44-F74 HydrophobicContact CD1-CD1 4.16Å; L44-F74 HydrophobicContact CD1-CD2 4.45Å; L44-F74 HydrophobicContact CD1-CE1 4.12Å; L44-F74 HydrophobicContact CD1-CE2 4.43Å; L44-F74 HydrophobicContact CD1-CG 4.32Å; L44-F74 HydrophobicContact CD1-CZ 4.27Å; L44-F74 HydrophobicContact CD2-CE1 3.77Å; L44-F74 HydrophobicContact CD2-CE2 3.86Å; L44-F74 HydrophobicContact CD2-CZ 3.36Å; L44-F74 HydrophobicContact CG-CD2 4.19Å; L44-F74 HydrophobicContact CG-CE1 4.14Å; L44-F74 HydrophobicContact CG-CE2 3.81Å; L44-F74 HydrophobicContact CG-CZ 3.79Å; F49-F74 HydrophobicContact CE1-CE2 4.18Å; F49-F74 AromaticContact CE1-CZ 3.74Å; F49-F74 HydrophobicContact CE1-CZ 3.74Å; F49-F74 HydrophobicContact CZ-CE2 4.1Å; F49-F74 AromaticContact CZ-CZ 3.76Å; F49-F74 HydrophobicContact CZ-CZ 3.76Å; F74-R79 HydrophobicContact CB-CG 3.79Å; F74-R79 PolarHBondContact O-NE 3.1Å; F74-R79 PolarHBondContact O-NH2 3.02Å; F74-Y92 AromaticContact CE1-CD1 3.94Å; F74-Y92 HydrophobicContact CE1-CD1 3.94Å; F74-Y92 HydrophobicContact CE1-CD2 4.42Å; F74-Y92 AromaticContact CE1-CG 3.72Å; F74-Y92 HydrophobicContact CE1-CG 3.72Å; F74-Y92 HydrophobicContact CZ-CD1 4.39Å; F74-Y92 HydrophobicContact CZ-CG 4.42Å; F74-L108 HydrophobicContact CE1-CD1 4.22Å
75	E	82.9	Confident	75.2	Confident	47 Å²	47	66 Å²	66	22%	0.22	32%	0.323	C	S	.	.			trans	-68	152	168.8	-169.6	159.3	-142.9	0	0	110.2	W77 G78 R79 F93 R105	E75-W77 VanDerWaalsContact C-N 3.29Å; E75-W77 PolarHBondContact O-N 3.47Å; E75-G78 WeakPolarHBondContact O-CA 3.29Å; E75-G78 PolarHBondContact O-N 2.82Å; E75-R79 PolarHBondContact O-N 3.39Å; E75-F93 HydrophobicContact CB-CB 4.34Å; E75-F93 PolarHBondContact N-O 3.01Å; E75-R105 IonicContact OE1-CZ 3.85Å; E75-R105 IonicContact OE1-NE 3.54Å; E75-R105 PolarHBondContact OE1-NE 2.8Å; E75-R105 IonicContact OE1-NH2 2.85Å; E75-R105 IonicContact OE2-CZ 2.93Å; E75-R105 IonicContact OE2-NE 3.75Å; E75-R105 PolarHBondContact OE2-NE 2.66Å; E75-R105 VanDerWaalsContact OE2-NE 3.16Å; E75-R105 IonicContact OE2-NH2 3.49Å; E75-R105 PolarHBondContact OE2-NH2 3.28Å
76	T	68.6	Low	73.1	Confident	87 Å²	87	64.6 Å²	64.6	53%	0.534	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-43.6	-44.4	-164.2	-50.1	0	0	0	0	115.3	F39 R79	F39-T76 HydrophobicContact CE1-CG2 4.43Å; T76-R79 WeakPolarHBondContact O-CB 3.36Å
77	W	58.2	Low	71.5	Confident	193 Å²	193	63.8 Å²	63.8	73%	0.731	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-79.2	-31.1	178.4	-63.1	93.6	0	0	0	113.5	E75 R79 L80	E75-W77 VanDerWaalsContact C-N 3.29Å; E75-W77 PolarHBondContact O-N 3.47Å; W77-R79 PolarHBondContact O-N 3.06Å; W77-L80 HydrophobicContact CE3-CD1 3.84Å; W77-L80 HydrophobicContact CZ3-CD1 4.24Å; W77-L80 WeakPolarHBondContact O-CB 3.2Å; W77-L80 PolarHBondContact O-N 2.9Å
78	G	56.4	Low	69.8	Low	21 Å²	21	68.9 Å²	68.9	22%	0.216	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-67.6	-9.1	172.3	0	0	0	0	0	113.8	E75 L80	E75-G78 WeakPolarHBondContact O-CA 3.29Å; E75-G78 PolarHBondContact O-N 2.82Å; G78-L80 VanDerWaalsContact C-N 3.34Å
79	R	57	Low	68.2	Low	74 Å²	74	69.6 Å²	69.6	28%	0.279	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-79.6	-14.5	167.6	-60.4	-178.7	-174	-166	1.5	112.5	S38 F39 F74 E75 T76 W77 R81	S38-R79 WeakPolarHBondContact CB-O 3.39Å; S38-R79 PolarHBondContact OG-O 3.12Å; F39-R79 HydrophobicContact CD1-CB 4.27Å; F39-R79 HydrophobicContact CE1-CB 3.97Å; F39-R79 HydrophobicContact CZ-CB 4.35Å; F74-R79 HydrophobicContact CB-CG 3.79Å; F74-R79 PolarHBondContact O-NE 3.1Å; F74-R79 PolarHBondContact O-NH2 3.02Å; E75-R79 PolarHBondContact O-N 3.39Å; T76-R79 WeakPolarHBondContact O-CB 3.36Å; W77-R79 PolarHBondContact O-N 3.06Å; R79-R81 PolarHBondContact O-N 3.46Å
80	L	57.8	Low	67.7	Low	26 Å²	26	65 Å²	65	14%	0.136	33%	0.328	C	S	.	.			trans	-88.6	85.6	179.3	-63.6	175.1	0	0	0	110.5	L35 F39 W77 G78 F82 L83	L35-L80 HydrophobicContact CD2-CD2 3.77Å; F39-L80 HydrophobicContact CE2-CD2 3.56Å; F39-L80 HydrophobicContact CZ-CD2 3.65Å; F39-L80 HydrophobicContact CZ-CG 4.16Å; W77-L80 HydrophobicContact CE3-CD1 3.84Å; W77-L80 HydrophobicContact CZ3-CD1 4.24Å; W77-L80 WeakPolarHBondContact O-CB 3.2Å; W77-L80 PolarHBondContact O-N 2.9Å; G78-L80 VanDerWaalsContact C-N 3.34Å; L80-F82 HydrophobicContact CB-CD1 4.23Å; L80-F82 HydrophobicContact CB-CE1 3.86Å; L80-F82 HydrophobicContact CD1-CE1 4.33Å; L80-F82 HydrophobicContact CD2-CE1 4.2Å; L80-F82 HydrophobicContact CG-CE1 4.36Å; L80-F82 PolarHBondContact O-N 2.97Å; L80-L83 HydrophobicContact CB-CD1 4.02Å; L80-L83 HydrophobicContact CB-CG 4.32Å; L80-L83 HydrophobicContact CD1-CD1 4.29Å; L80-L83 WeakPolarHBondContact O-CB 3.3Å; L80-L83 PolarHBondContact O-N 3.25Å
81	R	57.8	Low	67.4	Low	65 Å²	65	65.4 Å²	65.4	25%	0.245	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24.9	-173.8	-57.2	-59.7	-60.7	170.2	11.2	115.5	E43 F49 R79 L83 D84	E43-R81 VanDerWaalsContact OE2-CD 3.27Å; E43-R81 WeakPolarHBondContact OE2-CD 3.41Å; E43-R81 IonicContact OE2-CZ 3.1Å; E43-R81 IonicContact OE2-NE 2.62Å; E43-R81 PolarHBondContact OE2-NE 3.42Å; E43-R81 IonicContact OE2-NH1 3.08Å; F49-R81 VanDerWaalsContact CE2-CZ 3.44Å; R79-R81 PolarHBondContact O-N 3.46Å; R81-L83 PolarHBondContact O-N 3.33Å; R81-D84 IonicContact CZ-OD2 3.39Å; R81-D84 IonicContact NE-OD2 2.64Å; R81-D84 PolarHBondContact NE-OD2 3.06Å; R81-D84 IonicContact NH1-OD2 2.69Å; R81-D84 IonicContact NH2-OD2 2.69Å; R81-D84 PolarHBondContact NH2-OD2 3.32Å; R81-D84 VanDerWaalsContact O-CB 3.25Å; R81-D84 WeakPolarHBondContact O-CB 3.31Å; R81-D84 VanDerWaalsContact O-CG 3.23Å; R81-D84 PolarHBondContact O-N 2.02Å; R81-D84 VanDerWaalsContact O-N 3.13Å
82	F	52.7	Low	67.1	Low	126 Å²	126	63.4 Å²	63.4	55%	0.553	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.7	178.1	74.1	-92.6	0	0	0	112.8	L35 L80 D84	L35-F82 HydrophobicContact CD2-CE1 4.44Å; L80-F82 HydrophobicContact CB-CD1 4.23Å; L80-F82 HydrophobicContact CB-CE1 3.86Å; L80-F82 HydrophobicContact CD1-CE1 4.33Å; L80-F82 HydrophobicContact CD2-CE1 4.2Å; L80-F82 HydrophobicContact CG-CE1 4.36Å; L80-F82 PolarHBondContact O-N 2.97Å; F82-D84 VanDerWaalsContact C-N 3.26Å; F82-D84 PolarHBondContact O-N 2.93Å
83	L	54.2	Low	66.9	Low	64 Å²	64	67.4 Å²	67.4	34%	0.335	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-77.5	-10.9	174.9	-61.6	176.7	0	0	0	112.7	L80 R81 V85 F86	L80-L83 HydrophobicContact CB-CD1 4.02Å; L80-L83 HydrophobicContact CB-CG 4.32Å; L80-L83 HydrophobicContact CD1-CD1 4.29Å; L80-L83 WeakPolarHBondContact O-CB 3.3Å; L80-L83 PolarHBondContact O-N 3.25Å; R81-L83 PolarHBondContact O-N 3.33Å; L83-V85 PolarHBondContact O-N 2.84Å; L83-V85 VanDerWaalsContact O-N 3.14Å; L83-F86 PolarHBondContact O-N 3.27Å
84	D	56.9	Low	67	Low	35 Å²	35	66.1 Å²	66.1	19%	0.187	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.2	178.4	-66.9	-26.9	0	0	0	113.3	R81 F82 F86 N87 Y92	R81-D84 IonicContact CZ-OD2 3.39Å; R81-D84 IonicContact NE-OD2 2.64Å; R81-D84 PolarHBondContact NE-OD2 3.06Å; R81-D84 IonicContact NH1-OD2 2.69Å; R81-D84 IonicContact NH2-OD2 2.69Å; R81-D84 PolarHBondContact NH2-OD2 3.32Å; R81-D84 VanDerWaalsContact O-CB 3.25Å; R81-D84 WeakPolarHBondContact O-CB 3.31Å; R81-D84 VanDerWaalsContact O-CG 3.23Å; R81-D84 PolarHBondContact O-N 2.02Å; R81-D84 VanDerWaalsContact O-N 3.13Å; F82-D84 VanDerWaalsContact C-N 3.26Å; F82-D84 PolarHBondContact O-N 2.93Å; D84-F86 PolarHBondContact O-N 3.24Å; D84-N87 WeakPolarHBondContact O-CB 3.36Å; D84-N87 PolarHBondContact O-N 3.01Å; D84-Y92 WeakPolarHBondContact OD1-CE1 3.4Å
85	V	47.8	Very low	67.2	Low	120 Å²	120	69 Å²	69	73%	0.727	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.9	-28.2	174.3	-177.7	0	0	0	0	111.3	L83	L83-V85 PolarHBondContact O-N 2.84Å; L83-V85 VanDerWaalsContact O-N 3.14Å
86	F	50.3	Low	67.7	Low	171 Å²	171	66.8 Å²	66.8	75%	0.75	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-89.1	-4.6	175.9	-57.3	-74.5	0	0	0	113	L83 D84 V88	L83-F86 PolarHBondContact O-N 3.27Å; D84-F86 PolarHBondContact O-N 3.24Å; F86-V88 PolarHBondContact O-N 3.12Å
87	N	59.2	Low	68.7	Low	31 Å²	31	63.9 Å²	63.9	17%	0.166	31%	0.312	C	S	.	.			trans	-99.3	65.7	-177.9	-171.6	8.2	0	0	0	111.5	D84 K89 N90 V91 Y92	D84-N87 WeakPolarHBondContact O-CB 3.36Å; D84-N87 PolarHBondContact O-N 3.01Å; N87-K89 VanDerWaalsContact C-N 3.3Å; N87-K89 PolarHBondContact O-N 3.21Å; N87-N90 PolarHBondContact O-N 3.04Å; N87-N90 WeakPolarHBondContact OD1-CA 3.34Å; N87-N90 PolarHBondContact OD1-N 3.35Å; N87-N90 VanDerWaalsContact OD1-N 3.17Å; N87-V91 PolarHBondContact ND2-N 3.14Å; N87-V91 PolarHBondContact ND2-O 3.15Å; N87-V91 PolarHBondContact OD1-N 2.93Å; N87-V91 PolarHBondContact OD1-O 2.96Å; N87-Y92 WeakPolarHBondContact ND2-CE1 3.27Å
88	V	59.6	Low	69.8	Low	108 Å²	108	56.6 Å²	56.6	66%	0.655	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.3	-172.6	-175.8	0	0	0	0	112.3	F86 N90	F86-V88 PolarHBondContact O-N 3.12Å; V88-N90 VanDerWaalsContact C-N 3.3Å; V88-N90 PolarHBondContact O-N 3.13Å
89	K	62	Low	70.6	Confident	77 Å²	77	61 Å²	61	34%	0.335	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.7	176.8	-68.4	-173.9	173.2	-178.7	0	113.8	N87 V91 D290 D305	N87-K89 VanDerWaalsContact C-N 3.3Å; N87-K89 PolarHBondContact O-N 3.21Å; K89-V91 HydrophobicContact CB-CG2 3.99Å; K89-V91 PolarHBondContact O-N 2.94Å; K89-D290 IonicContact NZ-OD2 2.74Å; K89-D290 PolarHBondContact NZ-OD2 3.18Å; K89-D305 IonicContact NZ-OD2 2.92Å; K89-D305 PolarHBondContact NZ-OD2 3.45Å; K89-D305 VanDerWaalsContact NZ-OD2 3.13Å
90	N	81.5	Confident	71.4	Confident	4 Å²	4	69 Å²	69	2%	0.021	34%	0.341	C	S	.	.			trans	52.6	52.1	-177.4	-70.7	-52.7	0	0	0	113.9	N87 V88 Y92 R110 G112 N114	N87-N90 PolarHBondContact O-N 3.04Å; N87-N90 WeakPolarHBondContact OD1-CA 3.34Å; N87-N90 PolarHBondContact OD1-N 3.35Å; N87-N90 VanDerWaalsContact OD1-N 3.17Å; V88-N90 VanDerWaalsContact C-N 3.3Å; V88-N90 PolarHBondContact O-N 3.13Å; N90-Y92 HydrophobicContact CB-CE2 4.12Å; N90-Y92 WeakPolarHBondContact O-CE2 3.29Å; N90-Y92 PolarHBondContact OD1-OH 3.19Å; N90-R110 HydrophobicContact CB-CB 3.72Å; N90-R110 HydrophobicContact CB-CG 3.99Å; N90-R110 PolarHBondContact O-N 2.04Å; N90-R110 VanDerWaalsContact O-N 3.16Å; N90-G112 PolarHBondContact ND2-O 1.98Å; N90-N114 PolarHBondContact ND2-N 3.44Å
91	V	85.1	Confident	72.4	Confident	42 Å²	42	74.8 Å²	74.8	26%	0.255	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.8	176.3	-177.4	0	0	0	0	109.8	N87 K89 V107 L108 K109	N87-V91 PolarHBondContact ND2-N 3.14Å; N87-V91 PolarHBondContact ND2-O 3.15Å; N87-V91 PolarHBondContact OD1-N 2.93Å; N87-V91 PolarHBondContact OD1-O 2.96Å; K89-V91 HydrophobicContact CB-CG2 3.99Å; K89-V91 PolarHBondContact O-N 2.94Å; V91-V107 HydrophobicContact CG1-CG1 3.4Å; V91-L108 CarbonylContact C-O 3.58Å; V91-L108 WeakPolarHBondContact CA-O 3.39Å; V91-K109 HydrophobicContact CG1-CG 4.39Å; V91-K109 HydrophobicContact CG2-CG 4.28Å
92	Y	88.3	Confident	73.6	Confident	7 Å²	7	73.5 Å²	73.5	3%	0.027	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.6	-175.5	-49.8	-88.9	0	0	0	111.5	F74 D84 N87 N90 L108 R110 M238	F74-Y92 AromaticContact CE1-CD1 3.94Å; F74-Y92 HydrophobicContact CE1-CD1 3.94Å; F74-Y92 HydrophobicContact CE1-CD2 4.42Å; F74-Y92 AromaticContact CE1-CG 3.72Å; F74-Y92 HydrophobicContact CE1-CG 3.72Å; F74-Y92 HydrophobicContact CZ-CD1 4.39Å; F74-Y92 HydrophobicContact CZ-CG 4.42Å; D84-Y92 WeakPolarHBondContact OD1-CE1 3.4Å; N87-Y92 WeakPolarHBondContact ND2-CE1 3.27Å; N90-Y92 HydrophobicContact CB-CE2 4.12Å; N90-Y92 WeakPolarHBondContact O-CE2 3.29Å; N90-Y92 PolarHBondContact OD1-OH 3.19Å; Y92-L108 PolarHBondContact N-O 3.37Å; Y92-L108 PolarHBondContact O-N 2.88Å; Y92-R110 HydrophobicContact CE2-CG 4.2Å; Y92-M238 HydrophobicContact CD2-CE 4.42Å; Y92-M238 HydrophobicContact CD2-SD 4.3Å; Y92-M238 HydrophobicContact CE2-CE 4.27Å
93	F	89.9	Confident	75.3	Confident	83 Å²	83	72.2 Å²	72.2	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.9	170.9	-61.2	-79.4	0	0	0	110.5	E75 V107 Y243	E75-F93 HydrophobicContact CB-CB 4.34Å; E75-F93 PolarHBondContact N-O 3.01Å; F93-V107 HydrophobicContact CD1-CG2 3.91Å; F93-V107 HydrophobicContact CE1-CG2 3.88Å; F93-Y243 AromaticContact CD1-CD2 3.77Å; F93-Y243 HydrophobicContact CD1-CD2 3.77Å; F93-Y243 AromaticContact CD1-CE2 3.77Å; F93-Y243 HydrophobicContact CD1-CE2 3.77Å; F93-Y243 AromaticContact CE1-CD2 3.8Å; F93-Y243 HydrophobicContact CE1-CD2 3.8Å; F93-Y243 AromaticContact CE1-CE2 3.56Å; F93-Y243 HydrophobicContact CE1-CE2 3.56Å
94	A	92.1	Very high	77.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.5	-176.3	0	0	0	0	0	111.6	V72 S73 R105 V106 L108	V72-A94 HydrophobicContact CG1-CB 4.15Å; S73-A94 CarbonylContact O-C 3.56Å; S73-A94 VanDerWaalsContact O-CA 3.25Å; S73-A94 WeakPolarHBondContact O-CA 3.45Å; S73-A94 VanDerWaalsContact O-CB 3.27Å; S73-A94 WeakPolarHBondContact O-CB 3.31Å; A94-R105 CarbonylContact O-C 3.6Å; A94-R105 WeakPolarHBondContact O-CA 2.93Å; A94-V106 HydrophobicContact CB-CG2 3.84Å; A94-V106 PolarHBondContact N-O 2.9Å; A94-V106 PolarHBondContact O-N 2.82Å; A94-V106 VanDerWaalsContact O-O 3.07Å; A94-L108 HydrophobicContact CB-CD1 3.69Å; A94-L108 HydrophobicContact CB-CG 3.84Å
95	Q	92.6	Very high	78.8	Confident	68 Å²	68	76.2 Å²	76.2	32%	0.318	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134	173.7	-68.3	-175.7	-4.9	0	0	108.9	V72 S73 T103	V72-Q95 CarbonylContact C-O 3.41Å; V72-Q95 WeakPolarHBondContact CA-O 3.48Å; S73-Q95 PolarHBondContact N-O 3.23Å; S73-Q95 PolarHBondContact O-N 3.27Å; Q95-T103 HydrophobicContact CB-CG2 3.73Å; Q95-T103 HydrophobicContact CG-CG2 4.18Å
96	Y	93	Very high	81	Confident	1 Å²	1	70.5 Å²	70.5	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.3	172.9	170.3	-112.3	0	0	0	109.5	W63 K66 Q71 V72 E98 T103 R104	W63-Y96 HydrophobicContact CH2-CD1 4.31Å; W63-Y96 HydrophobicContact CH2-CD2 4.47Å; W63-Y96 HydrophobicContact CH2-CG 4.26Å; W63-Y96 HydrophobicContact CZ3-CD2 4.5Å; K66-Y96 HydrophobicContact CB-CE2 4.22Å; K66-Y96 HydrophobicContact CD-CE2 3.8Å; K66-Y96 HydrophobicContact CG-CE2 4.2Å; K66-Y96 PolarHBondContact NZ-OH 2.94Å; Q71-Y96 HydrophobicContact CB-CD2 4.16Å; Q71-Y96 HydrophobicContact CB-CE2 3.91Å; Q71-Y96 CarbonylContact O-C 3.51Å; Q71-Y96 WeakPolarHBondContact O-CA 3.47Å; V72-Y96 HydrophobicContact CG2-CD2 3.82Å; Y96-E98 HydrophobicContact CE1-CB 3.84Å; Y96-E98 HydrophobicContact CE1-CG 4.29Å; Y96-E98 WeakPolarHBondContact CE1-OE2 3.35Å; Y96-E98 VanDerWaalsContact OH-CD 3.3Å; Y96-E98 PolarHBondContact OH-OE1 2.73Å; Y96-T103 WeakPolarHBondContact O-CA 3.49Å; Y96-R104 HydrophobicContact CD1-CG 3.86Å; Y96-R104 PolarHBondContact N-O 2.63Å; Y96-R104 PolarHBondContact O-N 3.25Å
97	G	89.6	Confident	83.1	Confident	25 Å²	25	63 Å²	63	26%	0.258	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.3	174.5	0	0	0	0	0	111.1	Q71	Q71-G97 PolarHBondContact O-N 2.9Å
98	E	81.5	Confident	84.8	Confident	41 Å²	41	61.5 Å²	61.5	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.7	169.5	-163.7	114.7	-109.1	0	0	108.2	K66 Y96 R100 E101 G102 R104	K66-E98 IonicContact NZ-OE1 3.26Å; Y96-E98 HydrophobicContact CE1-CB 3.84Å; Y96-E98 HydrophobicContact CE1-CG 4.29Å; Y96-E98 WeakPolarHBondContact CE1-OE2 3.35Å; Y96-E98 VanDerWaalsContact OH-CD 3.3Å; Y96-E98 PolarHBondContact OH-OE1 2.73Å; E98-R100 PolarHBondContact O-N 2.99Å; E98-E101 HydrophobicContact CB-CB 3.99Å; E98-E101 HydrophobicContact CG-CB 4.04Å; E98-E101 HydrophobicContact CG-CG 4.19Å; E98-E101 PolarHBondContact O-N 3.32Å; E98-G102 PolarHBondContact N-O 2.71Å; E98-G102 PolarHBondContact O-N 2.89Å; E98-R104 IonicContact OE2-CZ 3.13Å; E98-R104 IonicContact OE2-NH1 3.54Å; E98-R104 PolarHBondContact OE2-NH1 2.96Å; E98-R104 IonicContact OE2-NH2 2.98Å
99	P	74.2	Confident	86.5	Confident	112 Å²	112	57 Å²	57	73%	0.727	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.4	-175.4	-28.5	34.9	0	0	0	115.4
100	R	74.1	Confident	87.9	Confident	242 Å²	242	54.4 Å²	54.4	91%	0.913	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-22.1	-177	-65.4	-176.6	178.3	170.3	-1.7	114.8	E98	E98-R100 PolarHBondContact O-N 2.99Å
101	E	77.1	Confident	88.4	Confident	148 Å²	148	54.3 Å²	54.3	69%	0.692	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	0.9	-171.8	-60.7	176.9	-169.6	0	0	113	E98 R104	E98-E101 HydrophobicContact CB-CB 3.99Å; E98-E101 HydrophobicContact CG-CB 4.04Å; E98-E101 HydrophobicContact CG-CG 4.19Å; E98-E101 PolarHBondContact O-N 3.32Å; E101-R104 IonicContact OE2-NH1 3.51Å
102	G	84.4	Confident	88.5	Confident	39 Å²	39	52.6 Å²	52.6	40%	0.402	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.8	-163.9	-179.1	0	0	0	0	0	113.1	E98	E98-G102 PolarHBondContact N-O 2.71Å; E98-G102 PolarHBondContact O-N 2.89Å
103	T	89	Confident	88.5	Confident	98 Å²	98	53.5 Å²	53.5	60%	0.601	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.9	-176.5	-57.1	0	0	0	0	110.4	Q95 Y96	Q95-T103 HydrophobicContact CB-CG2 3.73Å; Q95-T103 HydrophobicContact CG-CG2 4.18Å; Y96-T103 WeakPolarHBondContact O-CA 3.49Å
104	R	90.9	Very high	88.4	Confident	90 Å²	90	54.1 Å²	54.1	34%	0.34	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.6	173.4	64.4	-178.9	-173	-133.6	-5.8	111.4	Y96 E98 E101 V106	Y96-R104 HydrophobicContact CD1-CG 3.86Å; Y96-R104 PolarHBondContact N-O 2.63Å; Y96-R104 PolarHBondContact O-N 3.25Å; E98-R104 IonicContact OE2-CZ 3.13Å; E98-R104 IonicContact OE2-NH1 3.54Å; E98-R104 PolarHBondContact OE2-NH1 2.96Å; E98-R104 IonicContact OE2-NH2 2.98Å; E101-R104 IonicContact OE2-NH1 3.51Å; R104-V106 HydrophobicContact CG-CG1 4.49Å
105	R	92.3	Very high	88.3	Confident	93 Å²	93	60.7 Å²	60.7	35%	0.351	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.2	174.2	-65.7	178.6	76.8	-151.1	-3.8	110.1	E75 A94 Y243	E75-R105 IonicContact OE1-CZ 3.85Å; E75-R105 IonicContact OE1-NE 3.54Å; E75-R105 PolarHBondContact OE1-NE 2.8Å; E75-R105 IonicContact OE1-NH2 2.85Å; E75-R105 IonicContact OE2-CZ 2.93Å; E75-R105 IonicContact OE2-NE 3.75Å; E75-R105 PolarHBondContact OE2-NE 2.66Å; E75-R105 VanDerWaalsContact OE2-NE 3.16Å; E75-R105 IonicContact OE2-NH2 3.49Å; E75-R105 PolarHBondContact OE2-NH2 3.28Å; A94-R105 CarbonylContact O-C 3.6Å; A94-R105 WeakPolarHBondContact O-CA 2.93Å; R105-Y243 HydrophobicContact CB-CD1 4.09Å; R105-Y243 HydrophobicContact CB-CG 3.91Å; R105-Y243 PolarHBondContact NH1-OH 2.88Å; R105-Y243 WeakPolarHBondContact O-CB 3.36Å; R105-Y243 PolarHBondContact O-N 3.23Å
106	V	94.5	Very high	88.2	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.1	176.5	-59.6	0	0	0	0	108.9	V72 A94 R104 L108 L232 V241	V72-V106 HydrophobicContact CG1-CG2 4.35Å; A94-V106 HydrophobicContact CB-CG2 3.84Å; A94-V106 PolarHBondContact N-O 2.9Å; A94-V106 PolarHBondContact O-N 2.82Å; A94-V106 VanDerWaalsContact O-O 3.07Å; R104-V106 HydrophobicContact CG-CG1 4.49Å; V106-L108 HydrophobicContact CG2-CD2 4.16Å; V106-L232 HydrophobicContact CB-CD1 4.27Å; V106-L232 HydrophobicContact CG1-CD1 3.61Å; V106-V241 WeakPolarHBondContact CA-O 3.44Å; V106-V241 WeakPolarHBondContact CB-O 3.43Å
107	V	94.2	Very high	88.2	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.3	174.2	-179.5	0	0	0	0	108	V91 F93 K109 A240 V241 Y243	V91-V107 HydrophobicContact CG1-CG1 3.4Å; F93-V107 HydrophobicContact CD1-CG2 3.91Å; F93-V107 HydrophobicContact CE1-CG2 3.88Å; V107-K109 HydrophobicContact CG1-CG 4.24Å; V107-A240 WeakPolarHBondContact O-CA 3.32Å; V107-V241 HydrophobicContact CB-CG2 3.77Å; V107-V241 HydrophobicContact CG1-CG2 4.33Å; V107-V241 PolarHBondContact N-O 2.9Å; V107-V241 PolarHBondContact O-N 3.13Å; V107-Y243 HydrophobicContact CG2-CD2 3.82Å
108	L	95.4	Very high	88.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	178.2	-51.7	-179.1	0	0	0	109	L44 F67 V72 F74 V91 Y92 A94 V106 M238 V239 A240	L44-L108 HydrophobicContact CD1-CD1 3.51Å; L44-L108 HydrophobicContact CD2-CD1 3.81Å; L44-L108 HydrophobicContact CG-CD1 4.34Å; F67-L108 HydrophobicContact CE1-CD1 4.28Å; F67-L108 HydrophobicContact CZ-CD2 3.95Å; V72-L108 HydrophobicContact CG1-CD1 4.08Å; V72-L108 HydrophobicContact CG1-CD2 4.24Å; F74-L108 HydrophobicContact CE1-CD1 4.22Å; V91-L108 CarbonylContact C-O 3.58Å; V91-L108 WeakPolarHBondContact CA-O 3.39Å; Y92-L108 PolarHBondContact N-O 3.37Å; Y92-L108 PolarHBondContact O-N 2.88Å; A94-L108 HydrophobicContact CB-CD1 3.69Å; A94-L108 HydrophobicContact CB-CG 3.84Å; V106-L108 HydrophobicContact CG2-CD2 4.16Å; L108-M238 HydrophobicContact CB-CG 4Å; L108-M238 HydrophobicContact CB-SD 3.76Å; L108-V239 CarbonylContact C-O 3.56Å; L108-V239 VanDerWaalsContact CA-O 3.27Å; L108-V239 WeakPolarHBondContact CA-O 3.47Å; L108-A240 HydrophobicContact CD2-CB 3.74Å
109	K	94.5	Very high	88.9	Confident	14 Å²	14	64.5 Å²	64.5	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.9	-178.5	-60.3	-171.7	174.5	-173.5	0	110.9	V91 V107 L111 E213 V239 V304	V91-K109 HydrophobicContact CG1-CG 4.39Å; V91-K109 HydrophobicContact CG2-CG 4.28Å; V107-K109 HydrophobicContact CG1-CG 4.24Å; K109-L111 HydrophobicContact CB-CD2 3.98Å; K109-L111 HydrophobicContact CD-CD2 4.45Å; K109-E213 WeakPolarHBondContact CD-OE1 3.26Å; K109-E213 WeakPolarHBondContact CE-OE1 3.48Å; K109-E213 IonicContact NZ-OE1 3.16Å; K109-E213 PolarHBondContact NZ-OE1 3.05Å; K109-E213 IonicContact NZ-OE2 2.96Å; K109-E213 PolarHBondContact NZ-OE2 3.14Å; K109-V239 PolarHBondContact N-O 2.73Å; K109-V239 PolarHBondContact O-N 2.9Å; K109-V304 PolarHBondContact NZ-O 3.32Å
110	R	92.1	Very high	89.8	Confident	22 Å²	22	60.1 Å²	60.1	8%	0.083	30%	0.295	C	S	.	.			trans	-90.3	-0.7	167.3	-64	-174.6	173.3	-154.1	-5.1	113.9	F49 F59 N90 Y92 G112 L117 R237 M238	F49-R110 PolarHBondContact O-NH2 2.67Å; F59-R110 WeakPolarHBondContact CE2-O 3.49Å; N90-R110 HydrophobicContact CB-CB 3.72Å; N90-R110 HydrophobicContact CB-CG 3.99Å; N90-R110 PolarHBondContact O-N 2.04Å; N90-R110 VanDerWaalsContact O-N 3.16Å; Y92-R110 HydrophobicContact CE2-CG 4.2Å; R110-G112 PolarHBondContact O-N 3.41Å; R110-L117 HydrophobicContact CB-CD1 4.08Å; R110-R237 WeakPolarHBondContact CA-O 2.96Å; R110-M238 HydrophobicContact CG-CE 3.75Å; R110-M238 HydrophobicContact CG-SD 3.83Å
111	L	90.8	Very high	90.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	60.5	29	175.2	-52.5	179.3	0	0	0	113.9	F59 K109 F210 N211 E213 P214 V239	F59-L111 HydrophobicContact CD1-CD1 3.98Å; F59-L111 HydrophobicContact CD2-CD1 3.61Å; F59-L111 HydrophobicContact CD2-CG 4.23Å; F59-L111 HydrophobicContact CE1-CD1 4.05Å; F59-L111 HydrophobicContact CE2-CB 3.99Å; F59-L111 HydrophobicContact CE2-CD1 3.69Å; F59-L111 HydrophobicContact CE2-CG 4.02Å; F59-L111 HydrophobicContact CG-CD1 3.79Å; F59-L111 HydrophobicContact CZ-CB 4.07Å; F59-L111 HydrophobicContact CZ-CD1 3.91Å; F59-L111 HydrophobicContact CZ-CG 4.44Å; K109-L111 HydrophobicContact CB-CD2 3.98Å; K109-L111 HydrophobicContact CD-CD2 4.45Å; L111-F210 HydrophobicContact CB-CE1 4.45Å; L111-F210 WeakPolarHBondContact O-CE1 3.46Å; L111-F210 WeakPolarHBondContact O-CZ 3.47Å; L111-N211 HydrophobicContact CB-CB 3.84Å; L111-N211 WeakPolarHBondContact CB-ND2 3.34Å; L111-N211 HydrophobicContact CD1-CB 4.4Å; L111-N211 PolarHBondContact O-ND2 3.24Å; L111-E213 HydrophobicContact CD2-CB 4.43Å; L111-P214 HydrophobicContact CD1-CG 3.34Å; L111-P214 HydrophobicContact CD2-CG 4.04Å; L111-P214 HydrophobicContact CG-CG 4.32Å; L111-V239 HydrophobicContact CD1-CB 4.5Å; L111-V239 HydrophobicContact CD1-CG2 3.81Å; L111-V239 HydrophobicContact CD2-CB 4.41Å; L111-V239 HydrophobicContact CG-CB 4.47Å; L111-V239 HydrophobicContact CG-CG2 4.27Å
112	G	88.1	Confident	91.6	Very high	7 Å²	7	46.5 Å²	46.5	7%	0.072	24%	0.242	C	C	.	.	S	Bend	trans	158	160.1	-177.8	0	0	0	0	0	112.6	N90 R110	N90-G112 PolarHBondContact ND2-O 1.98Å; R110-G112 PolarHBondContact O-N 3.41Å
113	S	88.3	Confident	92.1	Very high	25 Å²	25	50.3 Å²	50.3	18%	0.175	25%	0.248	C	C	.	.			trans	-66.4	162.3	174.9	69.1	0	0	0	0	111.6	Q115 E116 L117	S113-Q115 PolarHBondContact O-N 3.29Å; S113-E116 VanDerWaalsContact CB-OE2 3.31Å; S113-E116 WeakPolarHBondContact CB-OE2 3.4Å; S113-E116 PolarHBondContact N-OE2 3.32Å; S113-E116 PolarHBondContact O-N 3.2Å; S113-E116 VanDerWaalsContact OG-CD 3.32Å; S113-E116 VanDerWaalsContact OG-CG 3.31Å; S113-E116 WeakPolarHBondContact OG-CG 3.3Å; S113-E116 PolarHBondContact OG-N 3.39Å; S113-E116 PolarHBondContact OG-OE2 2.85Å; S113-L117 VanDerWaalsContact O-CG 3.31Å; S113-L117 WeakPolarHBondContact O-CG 3.38Å; S113-L117 PolarHBondContact O-N 3.46Å; S113-L117 VanDerWaalsContact O-N 3.07Å
114	N	87.9	Confident	92.3	Very high	96 Å²	96	45.9 Å²	45.9	51%	0.513	22%	0.221	S	C	.	.	H	α-helix	trans	-62.4	-28.8	176.7	-69.2	-47.2	0	0	0	112.3	N90 A118	N90-N114 PolarHBondContact ND2-N 3.44Å; N114-A118 WeakPolarHBondContact O-CB 3.47Å; N114-A118 PolarHBondContact O-N 3.5Å
115	Q	89.9	Confident	92.5	Very high	138 Å²	138	41.7 Å²	41.7	65%	0.645	21%	0.205	S	C	*	.	H	α-helix	trans	-70	-51.4	176.9	179	171.2	-11.9	0	0	111	S113 L117 A118 E119	S113-Q115 PolarHBondContact O-N 3.29Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.17Å; Q115-A118 WeakPolarHBondContact O-CB 3.37Å; Q115-A118 PolarHBondContact O-N 2.8Å; Q115-E119 HydrophobicContact CG-CG 4.45Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.47Å; Q115-E119 PolarHBondContact NE2-OE1 3.29Å; Q115-E119 WeakPolarHBondContact O-CG 3.5Å; Q115-E119 PolarHBondContact O-N 3.3Å
116	E	91.1	Very high	92.6	Very high	92 Å²	92	42.7 Å²	42.7	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-43.7	178.4	-70.8	161.7	138.1	0	0	111.3	S113 A118 E119 I120 F210	S113-E116 VanDerWaalsContact CB-OE2 3.31Å; S113-E116 WeakPolarHBondContact CB-OE2 3.4Å; S113-E116 PolarHBondContact N-OE2 3.32Å; S113-E116 PolarHBondContact O-N 3.2Å; S113-E116 VanDerWaalsContact OG-CD 3.32Å; S113-E116 VanDerWaalsContact OG-CG 3.31Å; S113-E116 WeakPolarHBondContact OG-CG 3.3Å; S113-E116 PolarHBondContact OG-N 3.39Å; S113-E116 PolarHBondContact OG-OE2 2.85Å; E116-A118 VanDerWaalsContact C-N 3.28Å; E116-A118 PolarHBondContact O-N 2.84Å; E116-E119 WeakPolarHBondContact O-CB 3.35Å; E116-E119 PolarHBondContact O-N 3.26Å; E116-E119 VanDerWaalsContact O-N 3.13Å; E116-I120 VanDerWaalsContact O-CG1 3.3Å; E116-I120 WeakPolarHBondContact O-CG1 3.36Å; E116-I120 PolarHBondContact O-N 2.84Å; E116-F210 HydrophobicContact CB-CE2 4.2Å; E116-F210 HydrophobicContact CB-CZ 4.21Å
117	L	91.9	Very high	92.5	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-35.8	176.5	-69.2	172.6	0	0	0	112.9	F59 R110 S113 Q115 I120 D121 F210 R237	F59-L117 HydrophobicContact CZ-CD2 4.24Å; R110-L117 HydrophobicContact CB-CD1 4.08Å; S113-L117 VanDerWaalsContact O-CG 3.31Å; S113-L117 WeakPolarHBondContact O-CG 3.38Å; S113-L117 PolarHBondContact O-N 3.46Å; S113-L117 VanDerWaalsContact O-N 3.07Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.17Å; L117-I120 HydrophobicContact CD2-CD1 4.05Å; L117-D121 PolarHBondContact O-N 3.22Å; L117-F210 HydrophobicContact CD2-CE1 3.72Å; L117-F210 HydrophobicContact CD2-CZ 3.98Å; L117-R237 PolarHBondContact O-NH1 3Å
118	A	92.7	Very high	92.4	Very high	41 Å²	41	50.1 Å²	50.1	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-74.4	-34.7	175.5	0	0	0	0	0	112.1	N114 Q115 E116 D121 Q122	N114-A118 WeakPolarHBondContact O-CB 3.47Å; N114-A118 PolarHBondContact O-N 3.5Å; Q115-A118 WeakPolarHBondContact O-CB 3.37Å; Q115-A118 PolarHBondContact O-N 2.8Å; E116-A118 VanDerWaalsContact C-N 3.28Å; E116-A118 PolarHBondContact O-N 2.84Å; A118-D121 WeakPolarHBondContact O-CB 3.39Å; A118-D121 PolarHBondContact O-N 2.86Å; A118-Q122 WeakPolarHBondContact O-CG 3.49Å; A118-Q122 PolarHBondContact O-N 3.26Å
119	E	93.5	Very high	92.3	Very high	75 Å²	75	53 Å²	53	35%	0.35	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-38.7	175.6	-72.9	177.8	-166.6	0	0	111.8	Q115 E116 D121 Q122 K123	Q115-E119 HydrophobicContact CG-CG 4.45Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.47Å; Q115-E119 PolarHBondContact NE2-OE1 3.29Å; Q115-E119 WeakPolarHBondContact O-CG 3.5Å; Q115-E119 PolarHBondContact O-N 3.3Å; E116-E119 WeakPolarHBondContact O-CB 3.35Å; E116-E119 PolarHBondContact O-N 3.26Å; E116-E119 VanDerWaalsContact O-N 3.13Å; E119-D121 VanDerWaalsContact C-N 3.35Å; E119-Q122 PolarHBondContact O-N 2.62Å; E119-K123 WeakPolarHBondContact O-CB 3.48Å; E119-K123 VanDerWaalsContact O-CG 3.31Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.05Å
120	I	92.3	Very high	92.2	Very high	20 Å²	20	55.5 Å²	55.5	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-46.4	171.8	-59.2	155.8	0	0	0	110.8	E116 L117 Q122 K123 I124 M206 F210	E116-I120 VanDerWaalsContact O-CG1 3.3Å; E116-I120 WeakPolarHBondContact O-CG1 3.36Å; E116-I120 PolarHBondContact O-N 2.84Å; L117-I120 HydrophobicContact CD2-CD1 4.05Å; I120-Q122 VanDerWaalsContact C-N 3.25Å; I120-Q122 PolarHBondContact O-N 3.25Å; I120-K123 WeakPolarHBondContact O-CB 3.17Å; I120-K123 PolarHBondContact O-N 3.14Å; I120-K123 VanDerWaalsContact O-N 3.07Å; I120-I124 HydrophobicContact CG2-CD1 3.65Å; I120-I124 HydrophobicContact CG2-CG1 4.22Å; I120-I124 WeakPolarHBondContact O-CG1 3.38Å; I120-I124 PolarHBondContact O-N 3.13Å; I120-M206 HydrophobicContact CG2-CE 3.9Å; I120-F210 HydrophobicContact CD1-CB 4.32Å; I120-F210 HydrophobicContact CD1-CD1 3.65Å; I120-F210 HydrophobicContact CD1-CD2 3.1Å; I120-F210 HydrophobicContact CD1-CE1 3.61Å; I120-F210 HydrophobicContact CD1-CE2 3.11Å; I120-F210 HydrophobicContact CD1-CG 3.39Å; I120-F210 HydrophobicContact CD1-CZ 3.35Å; I120-F210 HydrophobicContact CG1-CD2 3.5Å; I120-F210 VanDerWaalsContact CG1-CD2 3.5Å; I120-F210 HydrophobicContact CG1-CE2 3.67Å; I120-F210 HydrophobicContact CG1-CG 4.12Å; I120-F210 HydrophobicContact CG1-CZ 4.36Å
121	D	94.8	Very high	92.3	Very high	21 Å²	21	63.1 Å²	63.1	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-44	-179.6	-70	-6.7	0	0	0	110.4	K54 L117 A118 E119 I124 C125 L136 R237	K54-D121 IonicContact NZ-OD2 3.45Å; K54-D121 PolarHBondContact NZ-OD2 2.97Å; L117-D121 PolarHBondContact O-N 3.22Å; A118-D121 WeakPolarHBondContact O-CB 3.39Å; A118-D121 PolarHBondContact O-N 2.86Å; E119-D121 VanDerWaalsContact C-N 3.35Å; D121-I124 PolarHBondContact O-N 3.02Å; D121-C125 WeakPolarHBondContact O-CB 3.32Å; D121-C125 PolarHBondContact O-N 3.28Å; D121-C125 PolarHBondContact O-SG 3.26Å; D121-C125 VanDerWaalsContact O-SG 3.32Å; D121-L136 HydrophobicContact CB-CD1 4.03Å; D121-L136 HydrophobicContact CB-CD2 4.09Å; D121-L136 VanDerWaalsContact CG-CD1 3.49Å; D121-R237 IonicContact OD1-CZ 3.74Å; D121-R237 IonicContact OD1-NH1 3.9Å; D121-R237 PolarHBondContact OD1-NH1 3.4Å; D121-R237 IonicContact OD1-NH2 2.71Å; D121-R237 PolarHBondContact OD1-NH2 3.2Å; D121-R237 IonicContact OD2-NH1 2.65Å
122	Q	95.3	Very high	92.3	Very high	83 Å²	83	66.4 Å²	66.4	39%	0.388	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-41	175.4	-68	179.4	32.5	0	0	112.3	A118 E119 I120 C125 K126	A118-Q122 WeakPolarHBondContact O-CG 3.49Å; A118-Q122 PolarHBondContact O-N 3.26Å; E119-Q122 PolarHBondContact O-N 2.62Å; I120-Q122 VanDerWaalsContact C-N 3.25Å; I120-Q122 PolarHBondContact O-N 3.25Å; Q122-C125 PolarHBondContact O-N 3.11Å; Q122-K126 VanDerWaalsContact O-CB 3.31Å; Q122-K126 WeakPolarHBondContact O-CB 3.15Å; Q122-K126 VanDerWaalsContact O-CG 3.24Å; Q122-K126 WeakPolarHBondContact O-CG 3.49Å; Q122-K126 PolarHBondContact O-N 3.06Å
123	K	93.8	Very high	92.6	Very high	119 Å²	119	76.8 Å²	76.8	52%	0.517	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-46.8	177.2	-75.8	172.2	-177.2	172.8	0	111.1	E119 I120 C125 K126 R127	E119-K123 WeakPolarHBondContact O-CB 3.48Å; E119-K123 VanDerWaalsContact O-CG 3.31Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.05Å; I120-K123 WeakPolarHBondContact O-CB 3.17Å; I120-K123 PolarHBondContact O-N 3.14Å; I120-K123 VanDerWaalsContact O-N 3.07Å; K123-C125 PolarHBondContact O-N 3.49Å; K123-K126 PolarHBondContact O-N 3.01Å; K123-R127 WeakPolarHBondContact O-CB 3.24Å; K123-R127 WeakPolarHBondContact O-CG 3.42Å; K123-R127 PolarHBondContact O-N 3.3Å
124	I	93.7	Very high	92.9	Very high	5 Å²	5	77.5 Å²	77.5	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-49.9	175.1	-68.5	166.3	0	0	0	110	A57 I120 D121 K126 R127 A128 L136 A139 M140 T143 M206	A57-I124 HydrophobicContact CB-CD1 4.06Å; I120-I124 HydrophobicContact CG2-CD1 3.65Å; I120-I124 HydrophobicContact CG2-CG1 4.22Å; I120-I124 WeakPolarHBondContact O-CG1 3.38Å; I120-I124 PolarHBondContact O-N 3.13Å; D121-I124 PolarHBondContact O-N 3.02Å; I124-K126 PolarHBondContact O-N 2.88Å; I124-R127 PolarHBondContact O-N 2.77Å; I124-A128 VanDerWaalsContact O-CB 3.32Å; I124-A128 WeakPolarHBondContact O-CB 3.49Å; I124-A128 PolarHBondContact O-N 2.95Å; I124-L136 HydrophobicContact CB-CD2 4.16Å; I124-L136 HydrophobicContact CG2-CD2 3.94Å; I124-A139 HydrophobicContact CG2-CB 4.15Å; I124-M140 HydrophobicContact CD1-SD 3.73Å; I124-M140 HydrophobicContact CG1-SD 4.16Å; I124-M140 HydrophobicContact CG2-CG 4.36Å; I124-M140 HydrophobicContact CG2-SD 3.79Å; I124-T143 HydrophobicContact CG2-CG2 4.16Å; I124-M206 HydrophobicContact CD1-CE 4.4Å
125	C	95.6	Very high	93.2	Very high	3 Å²	3	77.3 Å²	77.3	2%	0.02	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-43.1	179.8	-74	0	0	0	0	113.2	D121 Q122 K123 A128 T129 R131 C134	D121-C125 WeakPolarHBondContact O-CB 3.32Å; D121-C125 PolarHBondContact O-N 3.28Å; D121-C125 PolarHBondContact O-SG 3.26Å; D121-C125 VanDerWaalsContact O-SG 3.32Å; Q122-C125 PolarHBondContact O-N 3.11Å; K123-C125 PolarHBondContact O-N 3.49Å; C125-A128 PolarHBondContact O-N 3.45Å; C125-T129 PolarHBondContact O-N 2.93Å; C125-T129 PolarHBondContact O-OG1 3.33Å; C125-R131 CarbonylContact C-O 3.05Å; C125-R131 VanDerWaalsContact CB-O 3.28Å; C125-R131 WeakPolarHBondContact CB-O 3.42Å; C125-C134 WeakPolarHBondContact CA-SG 3.37Å; C125-C134 HydrophobicContact CB-CB 3.72Å; C125-C134 WeakPolarHBondContact CB-SG 2.98Å; C125-C134 WeakPolarHBondContact SG-CB 3.04Å; C125-C134 PolarHBondContact SG-N 3.37Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 3.13Å
126	K	94.6	Very high	93.3	Very high	114 Å²	114	71.6 Å²	71.6	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-44.6	177.6	-77.5	175.8	-179.9	178.1	0	110.9	Q122 K123 I124 G130 R131	Q122-K126 VanDerWaalsContact O-CB 3.31Å; Q122-K126 WeakPolarHBondContact O-CB 3.15Å; Q122-K126 VanDerWaalsContact O-CG 3.24Å; Q122-K126 WeakPolarHBondContact O-CG 3.49Å; Q122-K126 PolarHBondContact O-N 3.06Å; K123-K126 PolarHBondContact O-N 3.01Å; I124-K126 PolarHBondContact O-N 2.88Å; K126-G130 WeakPolarHBondContact O-CA 3.42Å; K126-G130 PolarHBondContact O-N 3.46Å; K126-R131 WeakPolarHBondContact CA-O 3.32Å; K126-R131 PolarHBondContact N-O 3.08Å; K126-R131 VanDerWaalsContact N-O 3.1Å
127	R	91.4	Very high	93.4	Very high	151 Å²	151	70.3 Å²	70.3	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-64	-41	177.1	-72.7	-179.8	-178.9	169.3	1.3	112.5	K123 I124 T143 E144	K123-R127 WeakPolarHBondContact O-CB 3.24Å; K123-R127 WeakPolarHBondContact O-CG 3.42Å; K123-R127 PolarHBondContact O-N 3.3Å; I124-R127 PolarHBondContact O-N 2.77Å; R127-T143 HydrophobicContact CB-CG2 4.45Å; R127-E144 WeakPolarHBondContact CD-OE1 3.29Å; R127-E144 IonicContact CZ-OE1 2.79Å; R127-E144 IonicContact NE-OE1 3.54Å; R127-E144 IonicContact NH1-OE1 3.54Å; R127-E144 PolarHBondContact NH1-OE1 3.48Å
128	A	93.1	Very high	93.4	Very high	18 Å²	18	75.5 Å²	75.5	15%	0.149	37%	0.374	C	S	.	.	H	α-helix	trans	-79.9	-31.2	-176.1	0	0	0	0	0	114.7	I124 C125 A139 K142 T143	I124-A128 VanDerWaalsContact O-CB 3.32Å; I124-A128 WeakPolarHBondContact O-CB 3.49Å; I124-A128 PolarHBondContact O-N 2.95Å; C125-A128 PolarHBondContact O-N 3.45Å; A128-A139 HydrophobicContact CB-CB 3.57Å; A128-A139 VanDerWaalsContact CB-O 3.31Å; A128-A139 WeakPolarHBondContact CB-O 3.33Å; A128-K142 HydrophobicContact CB-CB 3.95Å; A128-T143 HydrophobicContact CB-CG2 4.21Å
129	T	92.9	Very high	93.4	Very high	62 Å²	62	73.6 Å²	73.6	38%	0.38	36%	0.358	S	S	.	.	H	α-helix	trans	-136.1	-7.3	-167.6	69.8	0	0	0	0	114.9	C125 R131 C134	C125-T129 PolarHBondContact O-N 2.93Å; C125-T129 PolarHBondContact O-OG1 3.33Å; T129-R131 PolarHBondContact O-N 2.87Å; T129-R131 PolarHBondContact OG1-N 2.87Å; T129-C134 HydrophobicContact CG2-CB 4.03Å
130	G	92.9	Very high	93.4	Very high	66 Å²	66	70 Å²	70	68%	0.68	34%	0.342	S	S	*	.	S	Bend	trans	73.3	-1.4	-170.4	0	0	0	0	0	114.6	K126	K126-G130 WeakPolarHBondContact O-CA 3.42Å; K126-G130 PolarHBondContact O-N 3.46Å
131	R	93.9	Very high	93.3	Very high	182 Å²	182	74 Å²	74	69%	0.687	36%	0.356	S	S	*	.	S	Bend	trans	-113.4	151.2	-176.6	-62.6	-177	-178.6	-175.5	0.3	111.8	C125 K126 T129 R133	C125-R131 CarbonylContact C-O 3.05Å; C125-R131 VanDerWaalsContact CB-O 3.28Å; C125-R131 WeakPolarHBondContact CB-O 3.42Å; K126-R131 WeakPolarHBondContact CA-O 3.32Å; K126-R131 PolarHBondContact N-O 3.08Å; K126-R131 VanDerWaalsContact N-O 3.1Å; T129-R131 PolarHBondContact O-N 2.87Å; T129-R131 PolarHBondContact OG1-N 2.87Å; R131-R133 VanDerWaalsContact C-N 3.27Å; R131-R133 PolarHBondContact O-N 3.37Å
132	P	91.3	Very high	93.1	Very high	70 Å²	70	78.7 Å²	78.7	46%	0.455	38%	0.376	S	S	.	.	S	Bend	trans	-74.1	-14.2	-179.2	29.9	-36	0	0	0	114.2
133	R	94	Very high	92.7	Very high	224 Å²	224	74.9 Å²	74.9	85%	0.845	36%	0.358	S	S	*	.			trans	-131.3	137.8	178.5	-65.2	-176.1	-177.3	172.2	1.1	109.7	R131	R131-R133 VanDerWaalsContact C-N 3.27Å; R131-R133 PolarHBondContact O-N 3.37Å
134	C	94.3	Very high	92.2	Very high	41 Å²	41	72 Å²	72	28%	0.277	35%	0.346	S	S	.	.			trans	-161	170.7	-177.1	72.9	0	0	0	0	109.8	C125 T129 L136 A139	C125-C134 WeakPolarHBondContact CA-SG 3.37Å; C125-C134 HydrophobicContact CB-CB 3.72Å; C125-C134 WeakPolarHBondContact CB-SG 2.98Å; C125-C134 WeakPolarHBondContact SG-CB 3.04Å; C125-C134 PolarHBondContact SG-N 3.37Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 3.13Å; T129-C134 HydrophobicContact CG2-CB 4.03Å; C134-L136 PolarHBondContact O-N 2.84Å; C134-A139 HydrophobicContact CB-CB 4.44Å; C134-A139 WeakPolarHBondContact SG-CB 3.35Å
135	D	94.4	Very high	91.7	Very high	92 Å²	92	72.4 Å²	72.4	49%	0.492	35%	0.348	S	S	.	.			trans	-73.6	108.5	161.8	-180	-3	0	0	0	109	I137 Q138 A139	D135-I137 PolarHBondContact O-N 3.12Å; D135-I137 WeakPolarHBondContact OD1-CB 3.44Å; D135-I137 PolarHBondContact OD1-N 3.34Å; D135-Q138 HydrophobicContact CB-CB 4.4Å; D135-Q138 HydrophobicContact CB-CG 4.49Å; D135-Q138 PolarHBondContact O-N 3.32Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.49Å; D135-A139 VanDerWaalsContact O-CB 3.23Å; D135-A139 WeakPolarHBondContact O-CB 3.39Å; D135-A139 PolarHBondContact O-N 2.87Å
136	L	92.6	Very high	91.1	Very high	17 Å²	17	72.9 Å²	72.9	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-34.6	-178.6	-72.8	171.3	0	0	0	112.6	K54 D121 I124 C134 Q138 A139 M140	K54-L136 HydrophobicContact CB-CD1 4.36Å; K54-L136 HydrophobicContact CD-CD1 3.85Å; K54-L136 HydrophobicContact CG-CD1 4.14Å; D121-L136 HydrophobicContact CB-CD1 4.03Å; D121-L136 HydrophobicContact CB-CD2 4.09Å; D121-L136 VanDerWaalsContact CG-CD1 3.49Å; I124-L136 HydrophobicContact CB-CD2 4.16Å; I124-L136 HydrophobicContact CG2-CD2 3.94Å; C134-L136 PolarHBondContact O-N 2.84Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 2.85Å; L136-A139 PolarHBondContact O-N 3.48Å; L136-M140 WeakPolarHBondContact O-CG 3.46Å; L136-M140 PolarHBondContact O-N 2.71Å; L136-M140 VanDerWaalsContact O-N 3.08Å
137	I	92.6	Very high	90.1	Very high	65 Å²	65	76.7 Å²	76.7	33%	0.333	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-46.9	-177.8	-56.3	-177.9	0	0	0	109.1	D135 Y141	D135-I137 PolarHBondContact O-N 3.12Å; D135-I137 WeakPolarHBondContact OD1-CB 3.44Å; D135-I137 PolarHBondContact OD1-N 3.34Å; I137-Y141 VanDerWaalsContact O-CD2 3.24Å; I137-Y141 WeakPolarHBondContact O-CD2 3.44Å
138	Q	92.4	Very high	89.1	Confident	116 Å²	116	70.5 Å²	70.5	54%	0.542	34%	0.341	S	S	.	.	H	α-helix	trans	-77.6	-32.6	179.3	-62.9	-60.3	-20.9	0	0	112.8	D135 L136	D135-Q138 HydrophobicContact CB-CB 4.4Å; D135-Q138 HydrophobicContact CB-CG 4.49Å; D135-Q138 PolarHBondContact O-N 3.32Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.49Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 2.85Å
139	A	92.9	Very high	87.4	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.017	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-38.6	-179.2	0	0	0	0	0	112.6	I124 A128 C134 D135 L136 Y141 K142	I124-A139 HydrophobicContact CG2-CB 4.15Å; A128-A139 HydrophobicContact CB-CB 3.57Å; A128-A139 VanDerWaalsContact CB-O 3.31Å; A128-A139 WeakPolarHBondContact CB-O 3.33Å; C134-A139 HydrophobicContact CB-CB 4.44Å; C134-A139 WeakPolarHBondContact SG-CB 3.35Å; D135-A139 VanDerWaalsContact O-CB 3.23Å; D135-A139 WeakPolarHBondContact O-CB 3.39Å; D135-A139 PolarHBondContact O-N 2.87Å; L136-A139 PolarHBondContact O-N 3.48Å; A139-Y141 VanDerWaalsContact C-N 3.27Å; A139-Y141 PolarHBondContact O-N 3.39Å; A139-K142 WeakPolarHBondContact O-CB 3.44Å; A139-K142 PolarHBondContact O-N 3.25Å
140	M	91.9	Very high	85.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-54.2	-42.2	179.6	-77.8	-63.5	-68.2	0	0	112.8	P56 A57 I124 L136 K142 T143 F145 M202	P56-M140 HydrophobicContact CG-CB 3.81Å; P56-M140 HydrophobicContact CG-CG 4.11Å; A57-M140 HydrophobicContact CB-CG 3.69Å; A57-M140 HydrophobicContact CB-SD 3.78Å; I124-M140 HydrophobicContact CD1-SD 3.73Å; I124-M140 HydrophobicContact CG1-SD 4.16Å; I124-M140 HydrophobicContact CG2-CG 4.36Å; I124-M140 HydrophobicContact CG2-SD 3.79Å; L136-M140 WeakPolarHBondContact O-CG 3.46Å; L136-M140 PolarHBondContact O-N 2.71Å; L136-M140 VanDerWaalsContact O-N 3.08Å; M140-K142 PolarHBondContact O-N 2.86Å; M140-K142 VanDerWaalsContact O-N 3.07Å; M140-T143 PolarHBondContact O-N 3.33Å; M140-T143 PolarHBondContact O-OG1 2.79Å; M140-F145 HydrophobicContact CE-CB 4.07Å; M140-F145 HydrophobicContact CE-CD2 3.67Å; M140-F145 HydrophobicContact CE-CG 4.18Å; M140-F145 HydrophobicContact SD-CD2 4.14Å; M140-M202 HydrophobicContact CB-SD 4.09Å; M140-M202 HydrophobicContact CE-CB 4.01Å; M140-M202 HydrophobicContact CE-CG 4.5Å
141	Y	91	Very high	83.7	Confident	104 Å²	104	75.7 Å²	75.7	41%	0.408	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.1	178	-70	-86.2	0	0	0	114.3	P56 I137 A139 A146 M202	P56-Y141 HydrophobicContact CG-CE2 4.23Å; I137-Y141 VanDerWaalsContact O-CD2 3.24Å; I137-Y141 WeakPolarHBondContact O-CD2 3.44Å; A139-Y141 VanDerWaalsContact C-N 3.27Å; A139-Y141 PolarHBondContact O-N 3.39Å; Y141-A146 WeakPolarHBondContact O-CB 3.36Å; Y141-M202 HydrophobicContact CD1-CE 3.45Å; Y141-M202 VanDerWaalsContact CD1-CE 3.45Å; Y141-M202 HydrophobicContact CD1-SD 4.49Å; Y141-M202 HydrophobicContact CE1-CE 3.51Å; Y141-M202 HydrophobicContact CE1-SD 4.43Å; Y141-M202 HydrophobicContact CG-CE 4.1Å
142	K	90.3	Very high	82.2	Confident	119 Å²	119	70 Å²	70	52%	0.517	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-6.3	178.3	-59.3	-179.5	180	-178.5	0	113.3	A128 A139 M140	A128-K142 HydrophobicContact CB-CB 3.95Å; A139-K142 WeakPolarHBondContact O-CB 3.44Å; A139-K142 PolarHBondContact O-N 3.25Å; M140-K142 PolarHBondContact O-N 2.86Å; M140-K142 VanDerWaalsContact O-N 3.07Å
143	T	87.6	Confident	81.4	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.012	36%	0.359	C	S	.	.	S	Bend	trans	-89.6	169.4	179.5	67.3	0	0	0	0	112.4	I124 R127 A128 M140 F145 A146 R147	I124-T143 HydrophobicContact CG2-CG2 4.16Å; R127-T143 HydrophobicContact CB-CG2 4.45Å; A128-T143 HydrophobicContact CB-CG2 4.21Å; M140-T143 PolarHBondContact O-N 3.33Å; M140-T143 PolarHBondContact O-OG1 2.79Å; T143-F145 PolarHBondContact O-N 3.42Å; T143-F145 WeakPolarHBondContact OG1-CD2 3.25Å; T143-F145 PolarHBondContact OG1-N 2.85Å; T143-A146 PolarHBondContact O-N 2.9Å; T143-R147 PolarHBondContact O-N 3.46Å
144	E	82.4	Confident	81	Confident	59 Å²	59	67.2 Å²	67.2	28%	0.276	33%	0.331	S	S	.	.	H	α-helix	trans	-54.8	-29.7	171.7	61.7	-82.8	-166.4	0	0	113.4	R127 A146 R147 I148	R127-E144 WeakPolarHBondContact CD-OE1 3.29Å; R127-E144 IonicContact CZ-OE1 2.79Å; R127-E144 IonicContact NE-OE1 3.54Å; R127-E144 IonicContact NH1-OE1 3.54Å; R127-E144 PolarHBondContact NH1-OE1 3.48Å; E144-A146 PolarHBondContact O-N 2.8Å; E144-A146 VanDerWaalsContact O-N 3.17Å; E144-R147 PolarHBondContact O-N 3.38Å; E144-I148 PolarHBondContact O-N 2.83Å
145	F	84.3	Confident	80.7	Confident	13 Å²	13	65.3 Å²	65.3	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-26.3	176.3	-56.6	-51.2	0	0	0	113	M140 T143 W163 M202 L205 A209	M140-F145 HydrophobicContact CE-CB 4.07Å; M140-F145 HydrophobicContact CE-CD2 3.67Å; M140-F145 HydrophobicContact CE-CG 4.18Å; M140-F145 HydrophobicContact SD-CD2 4.14Å; T143-F145 PolarHBondContact O-N 3.42Å; T143-F145 WeakPolarHBondContact OG1-CD2 3.25Å; T143-F145 PolarHBondContact OG1-N 2.85Å; F145-W163 HydrophobicContact CD1-CH2 4.49Å; F145-W163 HydrophobicContact CD1-CZ3 4.34Å; F145-W163 HydrophobicContact CE1-CH2 4.32Å; F145-W163 AromaticContact CE1-CZ3 3.98Å; F145-W163 HydrophobicContact CE1-CZ3 3.98Å; F145-M202 HydrophobicContact CB-CG 4.28Å; F145-L205 HydrophobicContact CD1-CB 3.66Å; F145-L205 HydrophobicContact CE1-CB 4.28Å; F145-A209 HydrophobicContact CE1-CB 4.15Å; F145-A209 HydrophobicContact CZ-CB 4.25Å
146	A	82.9	Confident	80.6	Confident	13 Å²	13	63.3 Å²	63.3	11%	0.107	31%	0.31	C	S	.	.	H	α-helix	trans	-93.8	-23.5	174.5	0	0	0	0	0	113.2	Y141 T143 E144 N149 M202	Y141-A146 WeakPolarHBondContact O-CB 3.36Å; T143-A146 PolarHBondContact O-N 2.9Å; E144-A146 PolarHBondContact O-N 2.8Å; E144-A146 VanDerWaalsContact O-N 3.17Å; A146-N149 WeakPolarHBondContact O-CB 3.27Å; A146-N149 PolarHBondContact O-N 2.63Å; A146-N149 PolarHBondContact O-ND2 3.21Å; A146-N149 VanDerWaalsContact O-ND2 3.09Å; A146-M202 HydrophobicContact CB-CE 3.39Å; A146-M202 HydrophobicContact CB-SD 4.32Å
147	R	73.1	Confident	80.7	Confident	194 Å²	194	64.2 Å²	64.2	73%	0.732	32%	0.316	S	S	*	.	H	α-helix	trans	-76.4	-26.4	-176.8	-67.8	-178.2	-173.1	176.9	3	113.3	T143 E144 N149 G150	T143-R147 PolarHBondContact O-N 3.46Å; E144-R147 PolarHBondContact O-N 3.38Å; R147-N149 PolarHBondContact O-N 3.31Å; R147-G150 PolarHBondContact O-N 3.4Å
148	I	69.4	Low	80.6	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.108	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.6	171.9	-65.3	160.8	0	0	0	111.2	E144 V159 W163 L193 L205	E144-I148 PolarHBondContact O-N 2.83Å; I148-V159 HydrophobicContact CD1-CG1 3.49Å; I148-V159 VanDerWaalsContact CD1-CG1 3.49Å; I148-V159 HydrophobicContact CG1-CG1 4Å; I148-W163 HydrophobicContact CD1-CH2 3.97Å; I148-L193 HydrophobicContact CG2-CD1 4.29Å; I148-L205 HydrophobicContact CB-CD1 4.17Å; I148-L205 HydrophobicContact CD1-CD1 3.69Å; I148-L205 HydrophobicContact CD1-CD2 4.34Å; I148-L205 HydrophobicContact CG2-CD1 4.36Å
149	N	58.3	Low	80.4	Confident	38 Å²	38	61.3 Å²	61.3	20%	0.203	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.3	-179.6	-63.6	-21.4	0	0	0	116.3	A146 R147 R201	A146-N149 WeakPolarHBondContact O-CB 3.27Å; A146-N149 PolarHBondContact O-N 2.63Å; A146-N149 PolarHBondContact O-ND2 3.21Å; A146-N149 VanDerWaalsContact O-ND2 3.09Å; R147-N149 PolarHBondContact O-N 3.31Å; N149-R201 PolarHBondContact OD1-NH1 3.25Å
150	G	54.6	Low	80.4	Confident	57 Å²	57	61.2 Å²	61.2	59%	0.588	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-50.9	-164.9	0	0	0	0	0	115.2	R147	R147-G150 PolarHBondContact O-N 3.4Å
151	D	53.2	Low	80.6	Confident	160 Å²	160	67 Å²	67	86%	0.856	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.9	-0.7	-173	-74.1	-55.9	0	0	0	114	R153	D151-R153 PolarHBondContact O-N 3.42Å
152	V	62.9	Low	80.7	Confident	63 Å²	63	64.4 Å²	64.4	38%	0.382	36%	0.356	S	S	.	.			trans	-82.8	110.1	-170.3	-164.4	0	0	0	0	110.2	L154	V152-L154 VanDerWaalsContact C-N 3.34Å; V152-L154 WeakPolarHBondContact CG1-O 3.32Å; V152-L154 PolarHBondContact O-N 3.01Å
153	R	74.4	Confident	81	Confident	183 Å²	183	62.3 Å²	62.3	69%	0.691	35%	0.345	S	S	*	.			trans	-71.4	-27.2	-179.5	-67.2	-177.8	176.9	-175.1	0.5	113.5	D151 L193	D151-R153 PolarHBondContact O-N 3.42Å; R153-L193 PolarHBondContact O-N 3.5Å
154	L	84.6	Confident	81.4	Confident	52 Å²	52	63.1 Å²	63.1	27%	0.272	35%	0.351	S	S	.	.	S	Bend	trans	-133.4	146.6	-170.3	-65.6	174.6	0	0	0	111.2	V152 T156 F191 L192	V152-L154 VanDerWaalsContact C-N 3.34Å; V152-L154 WeakPolarHBondContact CG1-O 3.32Å; V152-L154 PolarHBondContact O-N 3.01Å; L154-T156 HydrophobicContact CB-CG2 4.44Å; L154-T156 PolarHBondContact O-N 3.31Å; L154-F191 HydrophobicContact CD2-CD2 3.52Å; L154-F191 HydrophobicContact CD2-CE2 3.77Å; L154-L192 HydrophobicContact CD2-CD2 3.68Å
155	L	89.8	Confident	82.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	34%	0.344	C	S	.	.			trans	-76.3	118	166.4	-168.5	61.4	0	0	0	108	V160 Q172 L175 V179 L193 L205 L208	L155-V160 HydrophobicContact CD1-CG1 3.68Å; L155-V160 HydrophobicContact CD2-CG1 4.43Å; L155-V160 HydrophobicContact CG-CG1 4.21Å; L155-Q172 PolarHBondContact O-NE2 3.01Å; L155-Q172 PolarHBondContact O-OE1 3.11Å; L155-L175 HydrophobicContact CB-CB 4.35Å; L155-L175 HydrophobicContact CD2-CD2 4.04Å; L155-L175 HydrophobicContact CG-CB 4.5Å; L155-L175 HydrophobicContact CG-CD1 4.27Å; L155-L175 HydrophobicContact CG-CD2 4.35Å; L155-L175 WeakPolarHBondContact O-CB 3.17Å; L155-L175 VanDerWaalsContact O-CD1 3.31Å; L155-L175 WeakPolarHBondContact O-CD1 3.35Å; L155-V179 HydrophobicContact CB-CG2 4.07Å; L155-V179 HydrophobicContact CD2-CG2 4.3Å; L155-L193 HydrophobicContact CB-CD1 3.97Å; L155-L193 HydrophobicContact CB-CD2 4.38Å; L155-L193 HydrophobicContact CB-CG 4.29Å; L155-L193 HydrophobicContact CD1-CD1 4.28Å; L155-L205 HydrophobicContact CD1-CD2 3.82Å; L155-L208 HydrophobicContact CD2-CD2 4.3Å
156	T	91.9	Very high	82.7	Confident	50 Å²	50	60.9 Å²	60.9	31%	0.307	34%	0.341	S	S	.	.			trans	-109.4	149.4	-174.4	56.4	0	0	0	0	112.1	L154 G158 V159	L154-T156 HydrophobicContact CB-CG2 4.44Å; L154-T156 PolarHBondContact O-N 3.31Å; T156-G158 PolarHBondContact O-N 2.95Å; T156-V159 WeakPolarHBondContact O-CB 3.37Å; T156-V159 PolarHBondContact O-N 3.46Å; T156-V159 VanDerWaalsContact O-N 3.07Å; T156-V159 WeakPolarHBondContact OG1-CG2 3.28Å
157	P	93.9	Very high	83.4	Confident	35 Å²	35	60.2 Å²	60.2	23%	0.227	34%	0.336	C	S	.	.	H	α-helix	trans	-47.3	-52.7	-179	-34.3	39.5	0	0	0	114.6	V159 V160 E161 P170 L175	P157-V159 PolarHBondContact O-N 2.84Å; P157-V160 PolarHBondContact O-N 3.26Å; P157-E161 WeakPolarHBondContact O-CB 3.37Å; P157-E161 PolarHBondContact O-N 3.44Å; P157-P170 HydrophobicContact CB-CG 3.99Å; P157-P170 WeakPolarHBondContact CB-O 3.25Å; P157-P170 WeakPolarHBondContact CG-O 3.44Å; P157-L175 HydrophobicContact CG-CD1 4.09Å; P157-L175 VanDerWaalsContact N-CD1 3.32Å
158	G	90.4	Very high	84.6	Confident	73 Å²	73	53.4 Å²	53.4	75%	0.753	31%	0.312	S	S	*	.	H	α-helix	trans	-63.9	-6	-176.1	0	0	0	0	0	115.9	T156	T156-G158 PolarHBondContact O-N 2.95Å
159	V	89.4	Confident	85.9	Confident	47 Å²	47	53.9 Å²	53.9	29%	0.285	32%	0.317	S	S	.	.	H	α-helix	trans	-88.9	-37.3	174	175.2	0	0	0	0	111.6	I148 T156 P157 W163	I148-V159 HydrophobicContact CD1-CG1 3.49Å; I148-V159 VanDerWaalsContact CD1-CG1 3.49Å; I148-V159 HydrophobicContact CG1-CG1 4Å; T156-V159 WeakPolarHBondContact O-CB 3.37Å; T156-V159 PolarHBondContact O-N 3.46Å; T156-V159 VanDerWaalsContact O-N 3.07Å; T156-V159 WeakPolarHBondContact OG1-CG2 3.28Å; P157-V159 PolarHBondContact O-N 2.84Å; V159-W163 HydrophobicContact CG1-CZ2 4.46Å; V159-W163 WeakPolarHBondContact O-CZ2 3.28Å; V159-W163 PolarHBondContact O-NE1 3.28Å; V159-W163 VanDerWaalsContact O-NE1 3.11Å
160	V	93.1	Very high	87.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-118.7	-5.4	-166.3	-62	0	0	0	0	114.3	L155 P157 G162 W163 V167 P170 L175 L205 L208	L155-V160 HydrophobicContact CD1-CG1 3.68Å; L155-V160 HydrophobicContact CD2-CG1 4.43Å; L155-V160 HydrophobicContact CG-CG1 4.21Å; P157-V160 PolarHBondContact O-N 3.26Å; V160-G162 PolarHBondContact O-N 2.91Å; V160-W163 HydrophobicContact CB-CD2 4.19Å; V160-W163 HydrophobicContact CB-CE3 4.34Å; V160-W163 HydrophobicContact CB-CG 4.43Å; V160-W163 HydrophobicContact CG1-CD2 4.25Å; V160-W163 HydrophobicContact CG1-CE3 4.02Å; V160-W163 HydrophobicContact CG1-CH2 4.26Å; V160-W163 HydrophobicContact CG1-CZ2 4.44Å; V160-W163 HydrophobicContact CG1-CZ3 4.04Å; V160-W163 VanDerWaalsContact O-CB 3.28Å; V160-W163 WeakPolarHBondContact O-CB 3.44Å; V160-W163 VanDerWaalsContact O-CD1 3.32Å; V160-W163 VanDerWaalsContact O-CG 3.26Å; V160-W163 PolarHBondContact O-N 2.93Å; V160-W163 VanDerWaalsContact O-N 3.07Å; V160-V167 HydrophobicContact CB-CG2 4.4Å; V160-V167 HydrophobicContact CG2-CB 4.25Å; V160-V167 HydrophobicContact CG2-CG1 4.18Å; V160-V167 WeakPolarHBondContact O-CG2 3.46Å; V160-P170 HydrophobicContact CG2-CG 4.39Å; V160-L175 HydrophobicContact CG2-CD1 3.93Å; V160-L175 HydrophobicContact CG2-CD2 3.73Å; V160-L205 HydrophobicContact CG1-CD2 4.46Å; V160-L208 HydrophobicContact CB-CD2 4.03Å; V160-L208 HydrophobicContact CG1-CD2 3.89Å; V160-L208 HydrophobicContact CG2-CD2 4.43Å
161	E	95.3	Very high	89.8	Confident	121 Å²	121	50.3 Å²	50.3	57%	0.565	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	129.4	177.8	-173.9	172	-172.9	0	0	111.6	P157 W163 V167 P170	P157-E161 WeakPolarHBondContact O-CB 3.37Å; P157-E161 PolarHBondContact O-N 3.44Å; E161-W163 VanDerWaalsContact C-N 3.29Å; E161-W163 PolarHBondContact O-N 2.82Å; E161-V167 CarbonylContact C-O 3.53Å; E161-V167 WeakPolarHBondContact CA-O 3.37Å; E161-P170 HydrophobicContact CB-CG 3.94Å; E161-P170 HydrophobicContact CG-CG 4.34Å
162	G	93.9	Very high	91.8	Very high	51 Å²	51	45.2 Å²	45.2	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	4.8	179.7	0	0	0	0	0	115.7	V160 V167	V160-G162 PolarHBondContact O-N 2.91Å; G162-V167 PolarHBondContact N-O 3.18Å
163	W	94.5	Very high	93.4	Very high	75 Å²	75	45.3 Å²	45.3	28%	0.284	25%	0.25	S	S	.	.	S	Bend	trans	-69.5	-32.6	179	-74.4	22.6	0	0	0	113.3	F145 I148 V159 V160 E161 V167 L205 A209	F145-W163 HydrophobicContact CD1-CH2 4.49Å; F145-W163 HydrophobicContact CD1-CZ3 4.34Å; F145-W163 HydrophobicContact CE1-CH2 4.32Å; F145-W163 AromaticContact CE1-CZ3 3.98Å; F145-W163 HydrophobicContact CE1-CZ3 3.98Å; I148-W163 HydrophobicContact CD1-CH2 3.97Å; V159-W163 HydrophobicContact CG1-CZ2 4.46Å; V159-W163 WeakPolarHBondContact O-CZ2 3.28Å; V159-W163 PolarHBondContact O-NE1 3.28Å; V159-W163 VanDerWaalsContact O-NE1 3.11Å; V160-W163 HydrophobicContact CB-CD2 4.19Å; V160-W163 HydrophobicContact CB-CE3 4.34Å; V160-W163 HydrophobicContact CB-CG 4.43Å; V160-W163 HydrophobicContact CG1-CD2 4.25Å; V160-W163 HydrophobicContact CG1-CE3 4.02Å; V160-W163 HydrophobicContact CG1-CH2 4.26Å; V160-W163 HydrophobicContact CG1-CZ2 4.44Å; V160-W163 HydrophobicContact CG1-CZ3 4.04Å; V160-W163 VanDerWaalsContact O-CB 3.28Å; V160-W163 WeakPolarHBondContact O-CB 3.44Å; V160-W163 VanDerWaalsContact O-CD1 3.32Å; V160-W163 VanDerWaalsContact O-CG 3.26Å; V160-W163 PolarHBondContact O-N 2.93Å; V160-W163 VanDerWaalsContact O-N 3.07Å; E161-W163 VanDerWaalsContact C-N 3.29Å; E161-W163 PolarHBondContact O-N 2.82Å; W163-V167 HydrophobicContact CB-CG2 3.98Å; W163-L205 HydrophobicContact CZ3-CB 4.26Å; W163-L205 HydrophobicContact CZ3-CD2 4.13Å; W163-A209 HydrophobicContact CE3-CB 3.84Å; W163-A209 HydrophobicContact CZ3-CB 4.45Å
164	S	96.4	Very high	94.6	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.133	22%	0.217	C	C	.	.	S	Bend	trans	-157	174.4	175.1	60.9	0	0	0	0	110.2	L166 V167 H168 L208	S164-L166 VanDerWaalsContact C-N 3.28Å; S164-L166 PolarHBondContact O-N 3.03Å; S164-V167 CarbonylContact O-C 3.57Å; S164-V167 VanDerWaalsContact O-C 3.3Å; S164-V167 PolarHBondContact O-N 3.41Å; S164-V167 VanDerWaalsContact O-N 3.14Å; S164-H168 PolarHBondContact O-N 3.29Å; S164-L208 WeakPolarHBondContact CB-O 3.32Å; S164-L208 PolarHBondContact OG-O 2.04Å
165	D	96.9	Very high	95.2	Very high	24 Å²	24	34.2 Å²	34.2	13%	0.128	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.1	-38.9	179.4	-68.3	-34.4	0	0	0	112.2	V167 H168 L285 N308 V309 L310 K346	D165-V167 PolarHBondContact O-N 2.91Å; D165-H168 WeakPolarHBondContact O-CB 3.41Å; D165-H168 PolarHBondContact O-N 3.09Å; D165-L285 HydrophobicContact CB-CD1 4.18Å; D165-N308 PolarHBondContact OD2-ND2 2.86Å; D165-V309 CarbonylContact C-O 3.28Å; D165-V309 VanDerWaalsContact C-O 3.29Å; D165-L310 WeakPolarHBondContact O-CA 3.35Å; D165-K346 IonicContact OD1-NZ 3.52Å; D165-K346 PolarHBondContact OD1-NZ 2.97Å
166	L	98	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.5	177.4	174.6	58.6	0	0	0	112.4	S164 L174 L208 P212 L215 V216 V309 V311	S164-L166 VanDerWaalsContact C-N 3.28Å; S164-L166 PolarHBondContact O-N 3.03Å; L166-L174 HydrophobicContact CD1-CD1 4.43Å; L166-L174 HydrophobicContact CD1-CD2 4.45Å; L166-L174 WeakPolarHBondContact O-CD2 3.37Å; L166-L208 HydrophobicContact CD2-CD1 3.85Å; L166-L208 HydrophobicContact CG-CD1 4.37Å; L166-P212 HydrophobicContact CB-CB 3.68Å; L166-P212 HydrophobicContact CB-CG 4.07Å; L166-P212 HydrophobicContact CD2-CB 3.8Å; L166-P212 HydrophobicContact CG-CB 4.39Å; L166-L215 HydrophobicContact CD2-CB 3.89Å; L166-V216 HydrophobicContact CD1-CG2 4.13Å; L166-V216 HydrophobicContact CD2-CG2 4.21Å; L166-V309 WeakPolarHBondContact CA-O 3.49Å; L166-V309 PolarHBondContact N-O 3.02Å; L166-V309 VanDerWaalsContact N-O 3.13Å; L166-V311 HydrophobicContact CD1-CB 4.15Å; L166-V311 HydrophobicContact CD1-CG2 3.43Å; L166-V311 VanDerWaalsContact CD1-CG2 3.43Å
167	V	97.3	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-118.1	34.7	-178.5	-68.6	0	0	0	0	111.5	V160 E161 G162 W163 S164 D165 C169 P170 L175 L208	V160-V167 HydrophobicContact CB-CG2 4.4Å; V160-V167 HydrophobicContact CG2-CB 4.25Å; V160-V167 HydrophobicContact CG2-CG1 4.18Å; V160-V167 WeakPolarHBondContact O-CG2 3.46Å; E161-V167 CarbonylContact C-O 3.53Å; E161-V167 WeakPolarHBondContact CA-O 3.37Å; G162-V167 PolarHBondContact N-O 3.18Å; W163-V167 HydrophobicContact CB-CG2 3.98Å; S164-V167 CarbonylContact O-C 3.57Å; S164-V167 VanDerWaalsContact O-C 3.3Å; S164-V167 PolarHBondContact O-N 3.41Å; S164-V167 VanDerWaalsContact O-N 3.14Å; D165-V167 PolarHBondContact O-N 2.91Å; V167-C169 VanDerWaalsContact C-N 3.34Å; V167-P170 HydrophobicContact CB-CB 4.07Å; V167-P170 HydrophobicContact CB-CG 4.27Å; V167-P170 HydrophobicContact CG1-CB 4.11Å; V167-P170 WeakPolarHBondContact O-CD 3.49Å; V167-L175 HydrophobicContact CG1-CD2 3.85Å; V167-L208 HydrophobicContact CG1-CD1 3.78Å; V167-L208 HydrophobicContact CG1-CD2 4.25Å; V167-L208 HydrophobicContact CG1-CG 4.42Å; V167-L208 HydrophobicContact CG2-CD1 4.03Å; V167-L208 HydrophobicContact CG2-CD2 4.39Å; V167-L208 HydrophobicContact CG2-CG 4.12Å
168	H	97.8	Very high	95.8	Very high	50 Å²	50	33.3 Å²	33.3	23%	0.231	19%	0.194	C	C	.	.	S	Bend	trans	-65.9	-39.8	173.2	-172.5	69.9	0	0	0	111.6	S164 D165 L310 K346	S164-H168 PolarHBondContact O-N 3.29Å; D165-H168 WeakPolarHBondContact O-CB 3.41Å; D165-H168 PolarHBondContact O-N 3.09Å; H168-L310 HydrophobicContact CB-CD1 3.87Å; H168-L310 HydrophobicContact CB-CG 4.26Å; H168-K346 VanDerWaalsContact NE2-CB 3.28Å; H168-K346 WeakPolarHBondContact NE2-CB 3.25Å
169	C	96.9	Very high	96	Very high	31 Å²	31	30 Å²	30	21%	0.209	16%	0.159	C	C	.	.	S	Bend	trans	-134.8	70.9	172.9	49.2	0	0	0	0	110.7	V167 C350	V167-C169 VanDerWaalsContact C-N 3.34Å; C169-C350 HydrophobicContact CB-CB 3.42Å; C169-C350 VanDerWaalsContact CB-CB 3.42Å; C169-C350 WeakPolarHBondContact CB-SG 3.49Å; C169-C350 VanDerWaalsContact SG-CA 3.59Å; C169-C350 WeakPolarHBondContact SG-CB 3.41Å; C169-C350 CovalentContact SG-SG 2.02Å; C169-C350 PolarHBondContact SG-SG 2.89Å
170	P	96.9	Very high	96.2	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.091	17%	0.166	C	C	.	.			trans	-72.7	133.4	-170.7	28.3	-28.4	0	0	0	111.3	P157 V160 E161 V167 L175	P157-P170 HydrophobicContact CB-CG 3.99Å; P157-P170 WeakPolarHBondContact CB-O 3.25Å; P157-P170 WeakPolarHBondContact CG-O 3.44Å; V160-P170 HydrophobicContact CG2-CG 4.39Å; E161-P170 HydrophobicContact CB-CG 3.94Å; E161-P170 HydrophobicContact CG-CG 4.34Å; V167-P170 HydrophobicContact CB-CB 4.07Å; V167-P170 HydrophobicContact CB-CG 4.27Å; V167-P170 HydrophobicContact CG1-CB 4.11Å; V167-P170 WeakPolarHBondContact O-CD 3.49Å; P170-L175 HydrophobicContact CB-CD1 4.23Å; P170-L175 HydrophobicContact CB-CD2 4.09Å; P170-L175 HydrophobicContact CB-CG 4.18Å
171	S	97.3	Very high	96.2	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.042	18%	0.181	C	C	.	.			trans	-94.9	157	164.4	77.8	0	0	0	0	110.7	R173 L174 L175 D313	S171-R173 PolarHBondContact O-N 3.4Å; S171-R173 PolarHBondContact OG-N 3.07Å; S171-L174 WeakPolarHBondContact O-CB 3.24Å; S171-L174 PolarHBondContact O-N 3.44Å; S171-L174 VanDerWaalsContact O-N 3.13Å; S171-L174 PolarHBondContact OG-N 3.44Å; S171-L175 WeakPolarHBondContact O-CG 3.32Å; S171-L175 PolarHBondContact O-N 3.32Å; S171-L175 VanDerWaalsContact O-N 3.09Å; S171-D313 VanDerWaalsContact CB-OD2 3.3Å; S171-D313 WeakPolarHBondContact CB-OD2 3.32Å; S171-D313 WeakPolarHBondContact OG-CB 3.49Å; S171-D313 PolarHBondContact OG-OD2 2.98Å
172	Q	96.3	Very high	96.2	Very high	53 Å²	53	31.5 Å²	31.5	25%	0.248	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-36.2	173.5	-170.1	60	52.1	0	0	111.2	L155 L174 L175 D176	L155-Q172 PolarHBondContact O-NE2 3.01Å; L155-Q172 PolarHBondContact O-OE1 3.11Å; Q172-L174 VanDerWaalsContact C-N 3.35Å; Q172-L174 PolarHBondContact O-N 3.26Å; Q172-L175 PolarHBondContact O-N 2.89Å; Q172-D176 PolarHBondContact NE2-OD1 3.36Å; Q172-D176 WeakPolarHBondContact O-CB 3.42Å; Q172-D176 PolarHBondContact O-N 3.46Å
173	R	97.3	Very high	96.1	Very high	66 Å²	66	31.2 Å²	31.2	25%	0.249	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-40.1	177.2	-170.5	179.2	69.9	106.3	-9.2	112.4	S171 R177 F278 D279 F280 D313	S171-R173 PolarHBondContact O-N 3.4Å; S171-R173 PolarHBondContact OG-N 3.07Å; R173-R177 WeakPolarHBondContact O-CB 3.42Å; R173-R177 PolarHBondContact O-N 3.29Å; R173-R177 VanDerWaalsContact O-N 3.13Å; R173-F278 PolarHBondContact NH1-O 3Å; R173-F278 PolarHBondContact NH2-O 3.06Å; R173-F278 VanDerWaalsContact NH2-O 3.12Å; R173-D279 PolarHBondContact NH2-O 3.46Å; R173-F280 HydrophobicContact CB-CZ 4.4Å; R173-F280 HydrophobicContact CG-CZ 3.94Å; R173-F280 VanDerWaalsContact NH1-CZ 3.31Å; R173-D313 WeakPolarHBondContact CB-OD2 3.34Å; R173-D313 IonicContact CZ-OD1 3.69Å; R173-D313 IonicContact CZ-OD2 3.71Å; R173-D313 VanDerWaalsContact NE-CG 3.35Å; R173-D313 IonicContact NE-OD1 2.78Å; R173-D313 PolarHBondContact NE-OD1 3.06Å; R173-D313 IonicContact NE-OD2 3.37Å; R173-D313 PolarHBondContact NE-OD2 2.64Å; R173-D313 IonicContact NH2-OD1 2.55Å; R173-D313 PolarHBondContact NH2-OD1 2.92Å; R173-D313 IonicContact NH2-OD2 2.67Å; R173-D313 PolarHBondContact NH2-OD2 3.13Å
174	L	97.9	Very high	95.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-49.3	174.9	177.3	58.9	0	0	0	110.7	L166 S171 Q172 D176 R177 V178 F220 F280 V311	L166-L174 HydrophobicContact CD1-CD1 4.43Å; L166-L174 HydrophobicContact CD1-CD2 4.45Å; L166-L174 WeakPolarHBondContact O-CD2 3.37Å; S171-L174 WeakPolarHBondContact O-CB 3.24Å; S171-L174 PolarHBondContact O-N 3.44Å; S171-L174 VanDerWaalsContact O-N 3.13Å; S171-L174 PolarHBondContact OG-N 3.44Å; Q172-L174 VanDerWaalsContact C-N 3.35Å; Q172-L174 PolarHBondContact O-N 3.26Å; L174-D176 PolarHBondContact O-N 3.28Å; L174-R177 WeakPolarHBondContact O-CB 3.4Å; L174-R177 PolarHBondContact O-N 2.62Å; L174-R177 VanDerWaalsContact O-N 3.11Å; L174-V178 HydrophobicContact CD1-CG2 4.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.28Å; L174-V178 PolarHBondContact O-N 3.25Å; L174-F220 HydrophobicContact CD1-CE2 4.22Å; L174-F220 HydrophobicContact CD1-CZ 3.87Å; L174-F280 HydrophobicContact CB-CE1 3.95Å; L174-F280 HydrophobicContact CB-CZ 4.28Å; L174-F280 HydrophobicContact CD1-CE1 4.28Å; L174-F280 HydrophobicContact CD1-CZ 4.48Å; L174-V311 HydrophobicContact CD1-CB 4.37Å; L174-V311 HydrophobicContact CD1-CG1 3.87Å; L174-V311 HydrophobicContact CD2-CB 3.9Å; L174-V311 HydrophobicContact CD2-CG1 4Å
175	L	97.3	Very high	95.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-41	-178	-61.7	179.3	0	0	0	112.1	L155 P157 V160 V167 P170 S171 Q172 R177 V178 V179	L155-L175 HydrophobicContact CB-CB 4.35Å; L155-L175 HydrophobicContact CD2-CD2 4.04Å; L155-L175 HydrophobicContact CG-CB 4.5Å; L155-L175 HydrophobicContact CG-CD1 4.27Å; L155-L175 HydrophobicContact CG-CD2 4.35Å; L155-L175 WeakPolarHBondContact O-CB 3.17Å; L155-L175 VanDerWaalsContact O-CD1 3.31Å; L155-L175 WeakPolarHBondContact O-CD1 3.35Å; P157-L175 HydrophobicContact CG-CD1 4.09Å; P157-L175 VanDerWaalsContact N-CD1 3.32Å; V160-L175 HydrophobicContact CG2-CD1 3.93Å; V160-L175 HydrophobicContact CG2-CD2 3.73Å; V167-L175 HydrophobicContact CG1-CD2 3.85Å; P170-L175 HydrophobicContact CB-CD1 4.23Å; P170-L175 HydrophobicContact CB-CD2 4.09Å; P170-L175 HydrophobicContact CB-CG 4.18Å; S171-L175 WeakPolarHBondContact O-CG 3.32Å; S171-L175 PolarHBondContact O-N 3.32Å; S171-L175 VanDerWaalsContact O-N 3.09Å; Q172-L175 PolarHBondContact O-N 2.89Å; L175-R177 VanDerWaalsContact C-N 3.26Å; L175-R177 PolarHBondContact O-N 3.09Å; L175-V178 PolarHBondContact O-N 2.88Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 2.85Å
176	D	95.6	Very high	94.2	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-39.1	173.7	-71.6	-9.8	0	0	0	111.3	Q172 L174 R180 F191	Q172-D176 PolarHBondContact NE2-OD1 3.36Å; Q172-D176 WeakPolarHBondContact O-CB 3.42Å; Q172-D176 PolarHBondContact O-N 3.46Å; L174-D176 PolarHBondContact O-N 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.29Å; D176-R180 PolarHBondContact O-N 3.3Å; D176-F191 HydrophobicContact CB-CB 4.1Å
177	R	96.1	Very high	92.9	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-44.4	176.3	-177.4	171.5	176.6	94	5.5	111.6	R173 L174 L175 R180 R181 S219 E224	R173-R177 WeakPolarHBondContact O-CB 3.42Å; R173-R177 PolarHBondContact O-N 3.29Å; R173-R177 VanDerWaalsContact O-N 3.13Å; L174-R177 WeakPolarHBondContact O-CB 3.4Å; L174-R177 PolarHBondContact O-N 2.62Å; L174-R177 VanDerWaalsContact O-N 3.11Å; L175-R177 VanDerWaalsContact C-N 3.26Å; L175-R177 PolarHBondContact O-N 3.09Å; R177-R180 PolarHBondContact O-N 3.06Å; R177-R181 HydrophobicContact CG-CG 4.38Å; R177-R181 VanDerWaalsContact O-CB 3.31Å; R177-R181 WeakPolarHBondContact O-CB 3.5Å; R177-R181 WeakPolarHBondContact O-CG 2.97Å; R177-R181 PolarHBondContact O-N 2.82Å; R177-S219 PolarHBondContact NE-O 3.25Å; R177-S219 PolarHBondContact NH2-O 2.86Å; R177-E224 IonicContact CZ-OE2 3.69Å; R177-E224 IonicContact NH1-OE2 3.85Å; R177-E224 PolarHBondContact NH1-OE2 2.84Å; R177-E224 IonicContact NH2-OE2 3.19Å; R177-E224 PolarHBondContact NH2-OE2 3.47Å
178	V	96.7	Very high	91.8	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-57.4	-50.9	176	169.4	0	0	0	0	110.7	L174 L175 R181 Y182 L204 L215 S219	L174-V178 HydrophobicContact CD1-CG2 4.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.28Å; L174-V178 PolarHBondContact O-N 3.25Å; L175-V178 PolarHBondContact O-N 2.88Å; V178-R181 PolarHBondContact O-N 3.37Å; V178-Y182 PolarHBondContact O-N 2.95Å; V178-Y182 VanDerWaalsContact O-N 3.17Å; V178-L204 HydrophobicContact CG1-CD1 4.01Å; V178-L215 HydrophobicContact CG1-CD1 4.43Å; V178-S219 WeakPolarHBondContact CA-OG 3.33Å; V178-S219 WeakPolarHBondContact CG2-OG 3.44Å
179	V	94.6	Very high	90.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-44	-179.9	-180	0	0	0	0	110.9	L155 L175 R181 Y182 S190 F191 L193 L196 L204	L155-V179 HydrophobicContact CB-CG2 4.07Å; L155-V179 HydrophobicContact CD2-CG2 4.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 2.85Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 3.11Å; V179-Y182 WeakPolarHBondContact O-CB 3.46Å; V179-Y182 PolarHBondContact O-N 3.3Å; V179-S190 CarbonylContact C-O 3.56Å; V179-F191 WeakPolarHBondContact CG1-O 3.3Å; V179-L193 HydrophobicContact CG1-CD2 4.15Å; V179-L193 HydrophobicContact CG2-CD2 3.87Å; V179-L196 HydrophobicContact CG1-CD1 4.36Å; V179-L204 HydrophobicContact CG2-CD2 4.16Å
180	R	93.6	Very high	89.8	Confident	115 Å²	115	44.1 Å²	44.1	43%	0.434	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-38.3	178.9	-178.2	-179.5	-59.9	-169.8	2.1	112.8	D176 R177 G189 S190 F191	D176-R180 WeakPolarHBondContact O-CB 3.29Å; D176-R180 PolarHBondContact O-N 3.3Å; R177-R180 PolarHBondContact O-N 3.06Å; R180-G189 WeakPolarHBondContact O-CA 3.15Å; R180-G189 PolarHBondContact O-N 3.5Å; R180-S190 WeakPolarHBondContact CA-O 3.47Å; R180-F191 HydrophobicContact CB-CB 4.41Å
181	R	94.4	Very high	88.9	Confident	82 Å²	82	47.1 Å²	47.1	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-92	-2.1	-174.9	-69.6	-72.9	164.1	149.5	-0.6	114.2	R177 V178 V179 A183 Q218 E224	R177-R181 HydrophobicContact CG-CG 4.38Å; R177-R181 VanDerWaalsContact O-CB 3.31Å; R177-R181 WeakPolarHBondContact O-CB 3.5Å; R177-R181 WeakPolarHBondContact O-CG 2.97Å; R177-R181 PolarHBondContact O-N 2.82Å; V178-R181 PolarHBondContact O-N 3.37Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 3.11Å; R181-A183 PolarHBondContact O-N 2.75Å; R181-A183 VanDerWaalsContact O-N 3.1Å; R181-Q218 WeakPolarHBondContact CB-O 3.19Å; R181-E224 IonicContact CZ-OE1 3.34Å; R181-E224 IonicContact NH1-OE1 3.5Å; R181-E224 PolarHBondContact NH1-OE1 3.26Å; R181-E224 IonicContact NH2-OE1 3.51Å; R181-E224 PolarHBondContact NH2-OE1 3.23Å
182	Y	95.1	Very high	88.1	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.008	25%	0.252	C	S	.	.			trans	-63.4	113.6	-179.6	-171.2	-124.4	0	0	0	111.2	V178 V179 E184 T185 L196 E200 Q203 L204 L215	V178-Y182 PolarHBondContact O-N 2.95Å; V178-Y182 VanDerWaalsContact O-N 3.17Å; V179-Y182 WeakPolarHBondContact O-CB 3.46Å; V179-Y182 PolarHBondContact O-N 3.3Å; Y182-E184 HydrophobicContact CD1-CB 4.41Å; Y182-E184 HydrophobicContact CE1-CB 3.76Å; Y182-E184 HydrophobicContact CE2-CB 3.89Å; Y182-E184 HydrophobicContact CE2-CG 3.91Å; Y182-E184 VanDerWaalsContact CZ-CB 3.47Å; Y182-T185 HydrophobicContact CD1-CG2 4.45Å; Y182-T185 WeakPolarHBondContact O-CG2 3.49Å; Y182-L196 HydrophobicContact CD1-CD1 4.21Å; Y182-L196 HydrophobicContact CD1-CD2 4.01Å; Y182-E200 HydrophobicContact CE1-CB 4.39Å; Y182-E200 PolarHBondContact OH-O 2.95Å; Y182-Q203 VanDerWaalsContact OH-CB 3.32Å; Y182-Q203 WeakPolarHBondContact OH-CB 3.32Å; Y182-L204 HydrophobicContact CD2-CD1 3.8Å; Y182-L204 HydrophobicContact CE1-CB 4.03Å; Y182-L204 HydrophobicContact CE2-CB 4.11Å; Y182-L204 HydrophobicContact CE2-CD1 3.97Å; Y182-L204 HydrophobicContact CG-CD1 4.19Å; Y182-L204 PolarHBondContact OH-N 2.6Å; Y182-L215 HydrophobicContact CD2-CD2 3.88Å; Y182-L215 HydrophobicContact CE2-CD2 4.04Å
183	A	90.9	Very high	87.4	Confident	45 Å²	45	46.5 Å²	46.5	37%	0.372	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	0.3	-170.8	0	0	0	0	0	113.7	R181 T185 Q218 Y231	R181-A183 PolarHBondContact O-N 2.75Å; R181-A183 VanDerWaalsContact O-N 3.1Å; A183-T185 PolarHBondContact O-N 3.4Å; A183-Q218 HydrophobicContact CB-CG 4.38Å; A183-Y231 HydrophobicContact CB-CD1 4.35Å; A183-Y231 HydrophobicContact CB-CE1 4.17Å
184	E	89.8	Confident	86.6	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.033	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	9	176.9	-62	-58.2	125.5	0	0	113.7	G60 T61 S62 Y182 Y231 A234	G60-E184 WeakPolarHBondContact CA-OE2 3.4Å; T61-E184 PolarHBondContact N-OE2 2.78Å; S62-E184 WeakPolarHBondContact CB-OE1 3.19Å; S62-E184 VanDerWaalsContact CB-OE2 3.23Å; S62-E184 WeakPolarHBondContact CB-OE2 3.38Å; S62-E184 PolarHBondContact N-OE2 2.94Å; S62-E184 PolarHBondContact OG-OE1 2.91Å; S62-E184 PolarHBondContact OG-OE2 3.17Å; Y182-E184 HydrophobicContact CD1-CB 4.41Å; Y182-E184 HydrophobicContact CE1-CB 3.76Å; Y182-E184 HydrophobicContact CE2-CB 3.89Å; Y182-E184 HydrophobicContact CE2-CG 3.91Å; Y182-E184 VanDerWaalsContact CZ-CB 3.47Å; E184-Y231 VanDerWaalsContact CD-OH 3.27Å; E184-Y231 WeakPolarHBondContact OE1-CE1 3.18Å; E184-Y231 PolarHBondContact OE1-OH 3.09Å; E184-A234 PolarHBondContact OE1-N 3.29Å
185	T	84.1	Confident	85.9	Confident	15 Å²	15	52.7 Å²	52.7	9%	0.092	27%	0.273	C	S	.	.	S	Bend	trans	-120.7	157.9	174.6	-172.5	0	0	0	0	111.2	Y182 A183 D187 L196 E200	Y182-T185 HydrophobicContact CD1-CG2 4.45Å; Y182-T185 WeakPolarHBondContact O-CG2 3.49Å; A183-T185 PolarHBondContact O-N 3.4Å; T185-D187 VanDerWaalsContact C-N 3.34Å; T185-D187 PolarHBondContact OG1-N 2.83Å; T185-L196 HydrophobicContact CG2-CD2 3.49Å; T185-L196 VanDerWaalsContact CG2-CD2 3.49Å; T185-E200 WeakPolarHBondContact CB-OE2 3.38Å; T185-E200 PolarHBondContact OG1-OE2 2.87Å
186	K	75	Confident	85.4	Confident	185 Å²	185	53.1 Å²	53.1	80%	0.804	28%	0.275	S	S	*	.	S	Bend	trans	-76.4	-25.9	172.8	-67.9	-173.1	178.4	-176	0	112.4	S188	K186-S188 VanDerWaalsContact C-N 3.29Å; K186-S188 PolarHBondContact O-N 3.42Å
187	D	70.4	Confident	85.1	Confident	106 Å²	106	57 Å²	57	57%	0.567	29%	0.29	S	S	*	.	S	Bend	trans	-98	42.1	-176.1	-59.9	-38.9	0	0	0	111.2	T185	T185-D187 VanDerWaalsContact C-N 3.34Å; T185-D187 PolarHBondContact OG1-N 2.83Å
188	S	74	Confident	84.7	Confident	80 Å²	80	59.1 Å²	59.1	56%	0.559	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	139	177	61	0	0	0	0	110.6	K186	K186-S188 VanDerWaalsContact C-N 3.29Å; K186-S188 PolarHBondContact O-N 3.42Å
189	G	74.8	Confident	84.4	Confident	49 Å²	49	61.3 Å²	61.3	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	-10.7	-179	0	0	0	0	0	114.8	R180	R180-G189 WeakPolarHBondContact O-CA 3.15Å; R180-G189 PolarHBondContact O-N 3.5Å
190	S	77.6	Confident	84.3	Confident	28 Å²	28	61.8 Å²	61.8	20%	0.196	32%	0.319	C	S	.	.			trans	-88.4	136.1	169.4	169.5	0	0	0	0	111.4	V179 R180 L192 N195	V179-S190 CarbonylContact C-O 3.56Å; R180-S190 WeakPolarHBondContact CA-O 3.47Å; S190-L192 PolarHBondContact OG-N 3.37Å; S190-L192 PolarHBondContact OG-O 3.27Å; S190-N195 WeakPolarHBondContact CB-ND2 3.41Å; S190-N195 PolarHBondContact OG-ND2 3.06Å
191	F	79	Confident	84.1	Confident	77 Å²	77	57.7 Å²	57.7	34%	0.338	30%	0.304	S	S	.	.			trans	-89.8	-4.4	170.4	62.8	-88.9	0	0	0	113.3	L154 D176 V179 R180	L154-F191 HydrophobicContact CD2-CD2 3.52Å; L154-F191 HydrophobicContact CD2-CE2 3.77Å; D176-F191 HydrophobicContact CB-CB 4.1Å; V179-F191 WeakPolarHBondContact CG1-O 3.3Å; R180-F191 HydrophobicContact CB-CB 4.41Å
192	L	79.6	Confident	84	Confident	43 Å²	43	53.8 Å²	53.8	23%	0.225	29%	0.289	C	S	.	.			trans	-84.6	125.2	179.8	-58.5	177.1	0	0	0	111.1	L154 S190 K194 N195	L154-L192 HydrophobicContact CD2-CD2 3.68Å; S190-L192 PolarHBondContact OG-N 3.37Å; S190-L192 PolarHBondContact OG-O 3.27Å; L192-K194 HydrophobicContact CB-CG 4.13Å; L192-K194 PolarHBondContact O-N 2.89Å; L192-N195 PolarHBondContact O-N 3.37Å
193	L	81.6	Confident	84	Confident	4 Å²	4	54 Å²	54	2%	0.021	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-62.3	-30.3	178.7	-75.5	-178.4	0	0	0	112.9	I148 R153 L155 V179 N195 L196 R201 L204	I148-L193 HydrophobicContact CG2-CD1 4.29Å; R153-L193 PolarHBondContact O-N 3.5Å; L155-L193 HydrophobicContact CB-CD1 3.97Å; L155-L193 HydrophobicContact CB-CD2 4.38Å; L155-L193 HydrophobicContact CB-CG 4.29Å; L155-L193 HydrophobicContact CD1-CD1 4.28Å; V179-L193 HydrophobicContact CG1-CD2 4.15Å; V179-L193 HydrophobicContact CG2-CD2 3.87Å; L193-N195 PolarHBondContact O-N 3.26Å; L193-N195 VanDerWaalsContact O-N 3.12Å; L193-L196 HydrophobicContact CD2-CD1 4.1Å; L193-L196 WeakPolarHBondContact O-CB 3.37Å; L193-L196 PolarHBondContact O-N 2.76Å; L193-R201 VanDerWaalsContact O-CD 3.3Å; L193-R201 WeakPolarHBondContact O-CD 3.39Å; L193-R201 PolarHBondContact O-NE 3.35Å; L193-L204 HydrophobicContact CD2-CD2 4.19Å
194	K	80.6	Confident	84.2	Confident	131 Å²	131	51.8 Å²	51.8	57%	0.57	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-60.5	-22.2	179.3	76.2	-178.3	-172.8	175.9	0	113.7	L192 L196	L192-K194 HydrophobicContact CB-CG 4.13Å; L192-K194 PolarHBondContact O-N 2.89Å; K194-L196 VanDerWaalsContact C-N 3.33Å
195	N	83.8	Confident	84.4	Confident	66 Å²	66	51.6 Å²	51.6	35%	0.353	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-82.9	-15.4	179.6	-68.3	-1.5	0	0	0	111.9	S190 L192 L193	S190-N195 WeakPolarHBondContact CB-ND2 3.41Å; S190-N195 PolarHBondContact OG-ND2 3.06Å; L192-N195 PolarHBondContact O-N 3.37Å; L193-N195 PolarHBondContact O-N 3.26Å; L193-N195 VanDerWaalsContact O-N 3.12Å
196	L	86.7	Confident	84.8	Confident	8 Å²	8	51 Å²	51	4%	0.042	27%	0.267	C	S	.	.	S	Bend	trans	-81.8	143.7	170	-60.4	-180	0	0	0	109.4	V179 Y182 T185 L193 K194 E200 R201 L204	V179-L196 HydrophobicContact CG1-CD1 4.36Å; Y182-L196 HydrophobicContact CD1-CD1 4.21Å; Y182-L196 HydrophobicContact CD1-CD2 4.01Å; T185-L196 HydrophobicContact CG2-CD2 3.49Å; T185-L196 VanDerWaalsContact CG2-CD2 3.49Å; L193-L196 HydrophobicContact CD2-CD1 4.1Å; L193-L196 WeakPolarHBondContact O-CB 3.37Å; L193-L196 PolarHBondContact O-N 2.76Å; K194-L196 VanDerWaalsContact C-N 3.33Å; L196-E200 HydrophobicContact CB-CB 4.23Å; L196-R201 HydrophobicContact CB-CG 3.43Å; L196-R201 VanDerWaalsContact CB-CG 3.43Å; L196-R201 HydrophobicContact CD1-CG 4Å; L196-R201 HydrophobicContact CG-CG 4.34Å; L196-R201 PolarHBondContact O-NE 3.4Å; L196-R201 PolarHBondContact O-NH2 3.27Å; L196-L204 HydrophobicContact CD1-CD2 3.96Å
197	K	88.9	Confident	85.8	Confident	119 Å²	119	42.3 Å²	42.3	52%	0.517	23%	0.23	S	C	.	.			trans	-67	157.2	168.4	-62.2	176.7	-167.9	151.5	0	110.6	T199 E200 R201	K197-T199 PolarHBondContact O-N 2.98Å; K197-T199 VanDerWaalsContact O-N 3.15Å; K197-E200 HydrophobicContact CB-CB 4.36Å; K197-E200 HydrophobicContact CB-CG 4.08Å; K197-E200 WeakPolarHBondContact CD-OE1 3.37Å; K197-E200 PolarHBondContact N-OE2 2.93Å; K197-E200 IonicContact NZ-OE1 3.22Å; K197-E200 PolarHBondContact NZ-OE1 3.31Å; K197-E200 WeakPolarHBondContact O-CB 3.34Å; K197-E200 PolarHBondContact O-N 3.14Å; K197-R201 PolarHBondContact O-N 2.85Å
198	D	87.9	Confident	87	Confident	75 Å²	75	37.3 Å²	37.3	40%	0.401	20%	0.203	S	C	.	.	H	α-helix	trans	-51.5	-42.9	178.2	-68.5	-1.3	0	0	0	112.3	R201 M202	D198-R201 PolarHBondContact O-N 3.04Å; D198-R201 IonicContact OD1-CZ 2.62Å; D198-R201 IonicContact OD1-NH1 3.75Å; D198-R201 PolarHBondContact OD1-NH1 2.85Å; D198-R201 IonicContact OD1-NH2 3.42Å; D198-R201 PolarHBondContact OD1-NH2 3.18Å; D198-M202 HydrophobicContact CB-CE 4.42Å; D198-M202 VanDerWaalsContact O-CG 3.32Å; D198-M202 WeakPolarHBondContact O-CG 3.4Å; D198-M202 PolarHBondContact O-N 3.27Å
199	T	90.2	Very high	87.9	Confident	48 Å²	48	35.2 Å²	35.2	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-67.6	-38.4	177.8	55.8	0	0	0	0	112.9	P56 K197 M202 Q203	P56-T199 HydrophobicContact CB-CG2 4.22Å; K197-T199 PolarHBondContact O-N 2.98Å; K197-T199 VanDerWaalsContact O-N 3.15Å; T199-M202 PolarHBondContact O-N 2.52Å; T199-Q203 WeakPolarHBondContact O-CB 3.39Å; T199-Q203 WeakPolarHBondContact O-CG 3.43Å; T199-Q203 PolarHBondContact O-N 2.81Å
200	E	91.8	Very high	88.8	Confident	13 Å²	13	35.3 Å²	35.3	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-67.9	-38.4	179.3	-67.4	165.2	-172.2	0	0	110.3	Y182 T185 L196 K197 Q203 L204	Y182-E200 HydrophobicContact CE1-CB 4.39Å; Y182-E200 PolarHBondContact OH-O 2.95Å; T185-E200 WeakPolarHBondContact CB-OE2 3.38Å; T185-E200 PolarHBondContact OG1-OE2 2.87Å; L196-E200 HydrophobicContact CB-CB 4.23Å; K197-E200 HydrophobicContact CB-CB 4.36Å; K197-E200 HydrophobicContact CB-CG 4.08Å; K197-E200 WeakPolarHBondContact CD-OE1 3.37Å; K197-E200 PolarHBondContact N-OE2 2.93Å; K197-E200 IonicContact NZ-OE1 3.22Å; K197-E200 PolarHBondContact NZ-OE1 3.31Å; K197-E200 WeakPolarHBondContact O-CB 3.34Å; K197-E200 PolarHBondContact O-N 3.14Å; E200-Q203 PolarHBondContact O-N 2.76Å; E200-L204 WeakPolarHBondContact O-CB 3.33Å; E200-L204 PolarHBondContact O-N 3.25Å
201	R	90.3	Very high	89.7	Confident	29 Å²	29	34.5 Å²	34.5	11%	0.109	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-47	172.8	-67.8	-175.8	-119.3	115.3	6.3	112.1	N149 L193 L196 K197 D198 Q203 L204 L205	N149-R201 PolarHBondContact OD1-NH1 3.25Å; L193-R201 VanDerWaalsContact O-CD 3.3Å; L193-R201 WeakPolarHBondContact O-CD 3.39Å; L193-R201 PolarHBondContact O-NE 3.35Å; L196-R201 HydrophobicContact CB-CG 3.43Å; L196-R201 VanDerWaalsContact CB-CG 3.43Å; L196-R201 HydrophobicContact CD1-CG 4Å; L196-R201 HydrophobicContact CG-CG 4.34Å; L196-R201 PolarHBondContact O-NE 3.4Å; L196-R201 PolarHBondContact O-NH2 3.27Å; K197-R201 PolarHBondContact O-N 2.85Å; D198-R201 PolarHBondContact O-N 3.04Å; D198-R201 IonicContact OD1-CZ 2.62Å; D198-R201 IonicContact OD1-NH1 3.75Å; D198-R201 PolarHBondContact OD1-NH1 2.85Å; D198-R201 IonicContact OD1-NH2 3.42Å; D198-R201 PolarHBondContact OD1-NH2 3.18Å; R201-Q203 VanDerWaalsContact C-N 3.28Å; R201-Q203 PolarHBondContact O-N 3.42Å; R201-L204 WeakPolarHBondContact O-CB 3.42Å; R201-L204 PolarHBondContact O-N 3.49Å; R201-L205 WeakPolarHBondContact O-CG 3.48Å; R201-L205 PolarHBondContact O-N 3.18Å
202	M	92.1	Very high	90.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-39.8	177	-71.3	-179.8	-154.6	0	0	111.9	P56 M140 Y141 F145 A146 D198 T199 M206	P56-M202 HydrophobicContact CB-CB 4.14Å; P56-M202 HydrophobicContact CB-SD 4.2Å; P56-M202 HydrophobicContact CG-SD 3.81Å; M140-M202 HydrophobicContact CB-SD 4.09Å; M140-M202 HydrophobicContact CE-CB 4.01Å; M140-M202 HydrophobicContact CE-CG 4.5Å; Y141-M202 HydrophobicContact CD1-CE 3.45Å; Y141-M202 VanDerWaalsContact CD1-CE 3.45Å; Y141-M202 HydrophobicContact CD1-SD 4.49Å; Y141-M202 HydrophobicContact CE1-CE 3.51Å; Y141-M202 HydrophobicContact CE1-SD 4.43Å; Y141-M202 HydrophobicContact CG-CE 4.1Å; F145-M202 HydrophobicContact CB-CG 4.28Å; A146-M202 HydrophobicContact CB-CE 3.39Å; A146-M202 HydrophobicContact CB-SD 4.32Å; D198-M202 HydrophobicContact CB-CE 4.42Å; D198-M202 VanDerWaalsContact O-CG 3.32Å; D198-M202 WeakPolarHBondContact O-CG 3.4Å; D198-M202 PolarHBondContact O-N 3.27Å; T199-M202 PolarHBondContact O-N 2.52Å; M202-M206 WeakPolarHBondContact O-CB 3.49Å; M202-M206 PolarHBondContact O-N 3.15Å
203	Q	94.6	Very high	91.3	Very high	5 Å²	5	29 Å²	29	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-44.6	175.5	-71.2	162.6	-8	0	0	111.7	C58 Y182 T199 E200 R201 M206 T207	C58-Q203 WeakPolarHBondContact O-CG 3.39Å; C58-Q203 PolarHBondContact SG-NE2 3.02Å; C58-Q203 VanDerWaalsContact SG-NE2 3.37Å; Y182-Q203 VanDerWaalsContact OH-CB 3.32Å; Y182-Q203 WeakPolarHBondContact OH-CB 3.32Å; T199-Q203 WeakPolarHBondContact O-CB 3.39Å; T199-Q203 WeakPolarHBondContact O-CG 3.43Å; T199-Q203 PolarHBondContact O-N 2.81Å; E200-Q203 PolarHBondContact O-N 2.76Å; R201-Q203 VanDerWaalsContact C-N 3.28Å; R201-Q203 PolarHBondContact O-N 3.42Å; Q203-M206 PolarHBondContact O-N 3.18Å; Q203-T207 WeakPolarHBondContact O-CB 3.45Å; Q203-T207 PolarHBondContact O-N 3.37Å; Q203-T207 PolarHBondContact O-OG1 2.85Å
204	L	94.9	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-52.8	175.5	171.9	63.5	0	0	0	110.9	V178 V179 Y182 L193 L196 E200 R201 T207 L208 L215	V178-L204 HydrophobicContact CG1-CD1 4.01Å; V179-L204 HydrophobicContact CG2-CD2 4.16Å; Y182-L204 HydrophobicContact CD2-CD1 3.8Å; Y182-L204 HydrophobicContact CE1-CB 4.03Å; Y182-L204 HydrophobicContact CE2-CB 4.11Å; Y182-L204 HydrophobicContact CE2-CD1 3.97Å; Y182-L204 HydrophobicContact CG-CD1 4.19Å; Y182-L204 PolarHBondContact OH-N 2.6Å; L193-L204 HydrophobicContact CD2-CD2 4.19Å; L196-L204 HydrophobicContact CD1-CD2 3.96Å; E200-L204 WeakPolarHBondContact O-CB 3.33Å; E200-L204 PolarHBondContact O-N 3.25Å; R201-L204 WeakPolarHBondContact O-CB 3.42Å; R201-L204 PolarHBondContact O-N 3.49Å; L204-T207 PolarHBondContact O-N 2.98Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 2.88Å; L204-L215 HydrophobicContact CD1-CD1 3.92Å; L204-L215 HydrophobicContact CD1-CD2 3.61Å; L204-L215 HydrophobicContact CD1-CG 4.44Å
205	L	93.9	Very high	92.8	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-38.1	-177.2	-65.1	173.2	0	0	0	112.5	F145 I148 L155 V160 W163 R201 L208 A209	F145-L205 HydrophobicContact CD1-CB 3.66Å; F145-L205 HydrophobicContact CE1-CB 4.28Å; I148-L205 HydrophobicContact CB-CD1 4.17Å; I148-L205 HydrophobicContact CD1-CD1 3.69Å; I148-L205 HydrophobicContact CD1-CD2 4.34Å; I148-L205 HydrophobicContact CG2-CD1 4.36Å; L155-L205 HydrophobicContact CD1-CD2 3.82Å; V160-L205 HydrophobicContact CG1-CD2 4.46Å; W163-L205 HydrophobicContact CZ3-CB 4.26Å; W163-L205 HydrophobicContact CZ3-CD2 4.13Å; R201-L205 WeakPolarHBondContact O-CG 3.48Å; R201-L205 PolarHBondContact O-N 3.18Å; L205-L208 PolarHBondContact O-N 3.1Å; L205-A209 WeakPolarHBondContact O-CB 3.48Å; L205-A209 PolarHBondContact O-N 3.34Å
206	M	92.8	Very high	93.5	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-44.8	174.3	-178.4	-169.8	177.7	0	0	111.3	A57 C58 I120 I124 M202 Q203 L208 A209 F210	A57-M206 WeakPolarHBondContact CA-SD 3.44Å; A57-M206 HydrophobicContact CB-CE 4.31Å; A57-M206 HydrophobicContact CB-SD 4.06Å; C58-M206 PolarHBondContact N-SD 3.13Å; I120-M206 HydrophobicContact CG2-CE 3.9Å; I124-M206 HydrophobicContact CD1-CE 4.4Å; M202-M206 WeakPolarHBondContact O-CB 3.49Å; M202-M206 PolarHBondContact O-N 3.15Å; Q203-M206 PolarHBondContact O-N 3.18Å; M206-L208 VanDerWaalsContact C-N 3.32Å; M206-A209 PolarHBondContact O-N 3.28Å; M206-F210 WeakPolarHBondContact O-CB 3.33Å; M206-F210 PolarHBondContact O-N 2.71Å
207	T	95.7	Very high	94.1	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-46.2	177.8	-54.9	0	0	0	0	109.7	F59 Q203 L204 A209 F210 N211 P214 L215	F59-T207 HydrophobicContact CD1-CG2 4.42Å; Q203-T207 WeakPolarHBondContact O-CB 3.45Å; Q203-T207 PolarHBondContact O-N 3.37Å; Q203-T207 PolarHBondContact O-OG1 2.85Å; L204-T207 PolarHBondContact O-N 2.98Å; T207-A209 VanDerWaalsContact C-N 3.31Å; T207-A209 PolarHBondContact O-N 2.88Å; T207-F210 PolarHBondContact O-N 2.84Å; T207-N211 WeakPolarHBondContact CG2-O 3.47Å; T207-N211 CarbonylContact O-C 3.57Å; T207-N211 PolarHBondContact O-N 2.82Å; T207-P214 HydrophobicContact CG2-CB 4.26Å; T207-P214 HydrophobicContact CG2-CG 4Å; T207-L215 HydrophobicContact CG2-CD1 4.19Å; T207-L215 HydrophobicContact CG2-CD2 4.35Å; T207-L215 HydrophobicContact CG2-CG 3.87Å
208	L	95.9	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.2	-40.5	177.7	-173.9	62.6	0	0	0	113.3	L155 V160 S164 L166 V167 L204 L205 M206 L215	L155-L208 HydrophobicContact CD2-CD2 4.3Å; V160-L208 HydrophobicContact CB-CD2 4.03Å; V160-L208 HydrophobicContact CG1-CD2 3.89Å; V160-L208 HydrophobicContact CG2-CD2 4.43Å; S164-L208 WeakPolarHBondContact CB-O 3.32Å; S164-L208 PolarHBondContact OG-O 2.04Å; L166-L208 HydrophobicContact CD2-CD1 3.85Å; L166-L208 HydrophobicContact CG-CD1 4.37Å; V167-L208 HydrophobicContact CG1-CD1 3.78Å; V167-L208 HydrophobicContact CG1-CD2 4.25Å; V167-L208 HydrophobicContact CG1-CG 4.42Å; V167-L208 HydrophobicContact CG2-CD1 4.03Å; V167-L208 HydrophobicContact CG2-CD2 4.39Å; V167-L208 HydrophobicContact CG2-CG 4.12Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 2.88Å; L205-L208 PolarHBondContact O-N 3.1Å; M206-L208 VanDerWaalsContact C-N 3.32Å; L208-L215 HydrophobicContact CB-CD1 3.67Å; L208-L215 HydrophobicContact CD1-CD1 3.81Å; L208-L215 HydrophobicContact CG-CD1 4.36Å
209	A	94.1	Very high	94.9	Very high	36 Å²	36	10.7 Å²	10.7	30%	0.298	6%	0.059	S	C	.	.	H	α-helix	trans	-81.5	-24.6	-178	0	0	0	0	0	114	F145 W163 L205 M206 T207	F145-A209 HydrophobicContact CE1-CB 4.15Å; F145-A209 HydrophobicContact CZ-CB 4.25Å; W163-A209 HydrophobicContact CE3-CB 3.84Å; W163-A209 HydrophobicContact CZ3-CB 4.45Å; L205-A209 WeakPolarHBondContact O-CB 3.48Å; L205-A209 PolarHBondContact O-N 3.34Å; M206-A209 PolarHBondContact O-N 3.28Å; T207-A209 VanDerWaalsContact C-N 3.31Å; T207-A209 PolarHBondContact O-N 2.88Å
210	F	93.4	Very high	95.3	Very high	52 Å²	52	8.4 Å²	8.4	23%	0.228	5%	0.045	C	C	.	.	H	α-helix	trans	-100.1	-59.2	-175.6	175.9	-118.9	0	0	0	113	F59 L111 E116 L117 I120 M206 T207	F59-F210 AromaticContact CE1-CD1 3.69Å; F59-F210 HydrophobicContact CE1-CD1 3.69Å; F59-F210 HydrophobicContact CE1-CE1 4.33Å; F59-F210 AromaticContact CZ-CD1 3.65Å; F59-F210 HydrophobicContact CZ-CD1 3.65Å; F59-F210 AromaticContact CZ-CE1 3.81Å; F59-F210 HydrophobicContact CZ-CE1 3.81Å; L111-F210 HydrophobicContact CB-CE1 4.45Å; L111-F210 WeakPolarHBondContact O-CE1 3.46Å; L111-F210 WeakPolarHBondContact O-CZ 3.47Å; E116-F210 HydrophobicContact CB-CE2 4.2Å; E116-F210 HydrophobicContact CB-CZ 4.21Å; L117-F210 HydrophobicContact CD2-CE1 3.72Å; L117-F210 HydrophobicContact CD2-CZ 3.98Å; I120-F210 HydrophobicContact CD1-CB 4.32Å; I120-F210 HydrophobicContact CD1-CD1 3.65Å; I120-F210 HydrophobicContact CD1-CD2 3.1Å; I120-F210 HydrophobicContact CD1-CE1 3.61Å; I120-F210 HydrophobicContact CD1-CE2 3.11Å; I120-F210 HydrophobicContact CD1-CG 3.39Å; I120-F210 HydrophobicContact CD1-CZ 3.35Å; I120-F210 HydrophobicContact CG1-CD2 3.5Å; I120-F210 VanDerWaalsContact CG1-CD2 3.5Å; I120-F210 HydrophobicContact CG1-CE2 3.67Å; I120-F210 HydrophobicContact CG1-CG 4.12Å; I120-F210 HydrophobicContact CG1-CZ 4.36Å; M206-F210 WeakPolarHBondContact O-CB 3.33Å; M206-F210 PolarHBondContact O-N 2.71Å; T207-F210 PolarHBondContact O-N 2.84Å
211	N	95.3	Very high	95.5	Very high	10 Å²	10	8.7 Å²	8.7	5%	0.053	5%	0.048	C	C	.	.			trans	-149	104	-178.4	-172.7	-39	0	0	0	108.2	L111 T207 E213 P214 E307	L111-N211 HydrophobicContact CB-CB 3.84Å; L111-N211 WeakPolarHBondContact CB-ND2 3.34Å; L111-N211 HydrophobicContact CD1-CB 4.4Å; L111-N211 PolarHBondContact O-ND2 3.24Å; T207-N211 WeakPolarHBondContact CG2-O 3.47Å; T207-N211 CarbonylContact O-C 3.57Å; T207-N211 PolarHBondContact O-N 2.82Å; N211-E213 PolarHBondContact O-N 3.17Å; N211-E213 VanDerWaalsContact OD1-CB 3.24Å; N211-E213 WeakPolarHBondContact OD1-CB 3.4Å; N211-E213 PolarHBondContact OD1-N 3.37Å; N211-P214 WeakPolarHBondContact O-CD 3.48Å; N211-E307 WeakPolarHBondContact ND2-CG 3.4Å; N211-E307 PolarHBondContact ND2-OE1 3.16Å
212	P	96.3	Very high	95.7	Very high	6 Å²	6	9.7 Å²	9.7	4%	0.039	6%	0.059	C	C	.	.			trans	-78.4	-1.6	-173.2	33.5	-36.7	0	0	0	113.4	L166 P214 L215 V216	L166-P212 HydrophobicContact CB-CB 3.68Å; L166-P212 HydrophobicContact CB-CG 4.07Å; L166-P212 HydrophobicContact CD2-CB 3.8Å; L166-P212 HydrophobicContact CG-CB 4.39Å; P212-P214 VanDerWaalsContact C-CD 3.48Å; P212-L215 CarbonylContact O-C 3.13Å; P212-L215 WeakPolarHBondContact O-CA 3.42Å; P212-L215 WeakPolarHBondContact O-CB 2.76Å; P212-L215 PolarHBondContact O-N 2.77Å; P212-V216 PolarHBondContact O-N 3.26Å
213	E	96.5	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-46.4	-53.3	-177.8	-177.9	-165.3	135.1	0	0	112	K109 L111 N211 L215 V216 L217 A306 E307	K109-E213 WeakPolarHBondContact CD-OE1 3.26Å; K109-E213 WeakPolarHBondContact CE-OE1 3.48Å; K109-E213 IonicContact NZ-OE1 3.16Å; K109-E213 PolarHBondContact NZ-OE1 3.05Å; K109-E213 IonicContact NZ-OE2 2.96Å; K109-E213 PolarHBondContact NZ-OE2 3.14Å; L111-E213 HydrophobicContact CD2-CB 4.43Å; N211-E213 PolarHBondContact O-N 3.17Å; N211-E213 VanDerWaalsContact OD1-CB 3.24Å; N211-E213 WeakPolarHBondContact OD1-CB 3.4Å; N211-E213 PolarHBondContact OD1-N 3.37Å; E213-L215 PolarHBondContact O-N 2.76Å; E213-L215 VanDerWaalsContact O-N 3.14Å; E213-V216 WeakPolarHBondContact O-CB 3.43Å; E213-V216 PolarHBondContact O-N 2.9Å; E213-L217 HydrophobicContact CG-CD1 4.21Å; E213-L217 HydrophobicContact CG-CG 4.27Å; E213-L217 WeakPolarHBondContact O-CG 3.29Å; E213-L217 PolarHBondContact O-N 3.16Å; E213-A306 WeakPolarHBondContact CA-O 3.27Å; E213-A306 HydrophobicContact CG-CB 3.96Å; E213-E307 HydrophobicContact CB-CG 4.02Å; E213-E307 WeakPolarHBondContact OE2-CG 3.21Å
214	P	96.9	Very high	95.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.013	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-32.5	-178.8	-20.2	33.1	0	0	0	112.8	L111 T207 N211 P212 Q218 Y231 V239	L111-P214 HydrophobicContact CD1-CG 3.34Å; L111-P214 HydrophobicContact CD2-CG 4.04Å; L111-P214 HydrophobicContact CG-CG 4.32Å; T207-P214 HydrophobicContact CG2-CB 4.26Å; T207-P214 HydrophobicContact CG2-CG 4Å; N211-P214 WeakPolarHBondContact O-CD 3.48Å; P212-P214 VanDerWaalsContact C-CD 3.48Å; P214-Q218 WeakPolarHBondContact O-CB 3.3Å; P214-Q218 WeakPolarHBondContact O-CG 3.32Å; P214-Q218 PolarHBondContact O-N 3.15Å; P214-Q218 PolarHBondContact O-NE2 3.01Å; P214-Y231 HydrophobicContact CB-CD2 4.18Å; P214-Y231 HydrophobicContact CB-CE2 3.85Å; P214-V239 HydrophobicContact CB-CG1 4.49Å; P214-V239 HydrophobicContact CB-CG2 4.4Å; P214-V239 HydrophobicContact CG-CG1 4.27Å; P214-V239 HydrophobicContact CG-CG2 3.85Å
215	L	98.1	Very high	95.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-75.5	-34.4	179	-59	-179.1	0	0	0	111.4	L166 V178 Y182 L204 T207 L208 P212 E213 S219	L166-L215 HydrophobicContact CD2-CB 3.89Å; V178-L215 HydrophobicContact CG1-CD1 4.43Å; Y182-L215 HydrophobicContact CD2-CD2 3.88Å; Y182-L215 HydrophobicContact CE2-CD2 4.04Å; L204-L215 HydrophobicContact CD1-CD1 3.92Å; L204-L215 HydrophobicContact CD1-CD2 3.61Å; L204-L215 HydrophobicContact CD1-CG 4.44Å; T207-L215 HydrophobicContact CG2-CD1 4.19Å; T207-L215 HydrophobicContact CG2-CD2 4.35Å; T207-L215 HydrophobicContact CG2-CG 3.87Å; L208-L215 HydrophobicContact CB-CD1 3.67Å; L208-L215 HydrophobicContact CD1-CD1 3.81Å; L208-L215 HydrophobicContact CG-CD1 4.36Å; P212-L215 CarbonylContact O-C 3.13Å; P212-L215 WeakPolarHBondContact O-CA 3.42Å; P212-L215 WeakPolarHBondContact O-CB 2.76Å; P212-L215 PolarHBondContact O-N 2.77Å; E213-L215 PolarHBondContact O-N 2.76Å; E213-L215 VanDerWaalsContact O-N 3.14Å; L215-S219 WeakPolarHBondContact O-CB 3.23Å; L215-S219 PolarHBondContact O-N 3.22Å; L215-S219 PolarHBondContact O-OG 2.95Å
216	V	98.3	Very high	95.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-51.5	170.4	178.3	0	0	0	0	109.6	L166 P212 E213 Q218 S219 F220 F228 A306 V309	L166-V216 HydrophobicContact CD1-CG2 4.13Å; L166-V216 HydrophobicContact CD2-CG2 4.21Å; P212-V216 PolarHBondContact O-N 3.26Å; E213-V216 WeakPolarHBondContact O-CB 3.43Å; E213-V216 PolarHBondContact O-N 2.9Å; V216-Q218 VanDerWaalsContact C-N 3.29Å; V216-Q218 PolarHBondContact O-N 2.64Å; V216-S219 PolarHBondContact O-N 2.55Å; V216-F220 HydrophobicContact CG1-CD2 4.26Å; V216-F220 PolarHBondContact O-N 3.38Å; V216-F228 HydrophobicContact CG1-CE1 4.29Å; V216-F228 HydrophobicContact CG1-CE2 4.36Å; V216-F228 HydrophobicContact CG1-CZ 4.12Å; V216-A306 HydrophobicContact CB-CB 4.24Å; V216-A306 HydrophobicContact CG1-CB 4Å; V216-V309 HydrophobicContact CG1-CB 4.44Å; V216-V309 HydrophobicContact CG1-CG1 4.5Å; V216-V309 HydrophobicContact CG1-CG2 4.37Å; V216-V309 HydrophobicContact CG2-CB 4.24Å
217	L	97.9	Very high	96.1	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-36.1	-178.9	-57.9	-177.3	0	0	0	112.8	E213 F228 V241 A306	E213-L217 HydrophobicContact CG-CD1 4.21Å; E213-L217 HydrophobicContact CG-CG 4.27Å; E213-L217 WeakPolarHBondContact O-CG 3.29Å; E213-L217 PolarHBondContact O-N 3.16Å; L217-F228 HydrophobicContact CD2-CB 3.71Å; L217-F228 HydrophobicContact CD2-CD1 4.14Å; L217-F228 HydrophobicContact CD2-CG 4.15Å; L217-V241 HydrophobicContact CD1-CG1 3.65Å; L217-A306 HydrophobicContact CD2-CB 4.17Å
218	Q	96.9	Very high	96.2	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	13%	0.127	C	C	.	.	H	α-helix	trans	-74.6	-42.6	175.9	-74.5	169.3	75.5	0	0	112.1	R181 A183 P214 V216 Y231	R181-Q218 WeakPolarHBondContact CB-O 3.19Å; A183-Q218 HydrophobicContact CB-CG 4.38Å; P214-Q218 WeakPolarHBondContact O-CB 3.3Å; P214-Q218 WeakPolarHBondContact O-CG 3.32Å; P214-Q218 PolarHBondContact O-N 3.15Å; P214-Q218 PolarHBondContact O-NE2 3.01Å; V216-Q218 VanDerWaalsContact C-N 3.29Å; V216-Q218 PolarHBondContact O-N 2.64Å; Q218-Y231 HydrophobicContact CG-CD1 3.43Å; Q218-Y231 VanDerWaalsContact CG-CD1 3.43Å; Q218-Y231 HydrophobicContact CG-CD2 4.38Å; Q218-Y231 HydrophobicContact CG-CE1 3.92Å; Q218-Y231 HydrophobicContact CG-CG 3.68Å
219	S	97.7	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-74.9	-27.6	-176.2	-57.5	0	0	0	0	112.2	R177 V178 L215 V216 P221	R177-S219 PolarHBondContact NE-O 3.25Å; R177-S219 PolarHBondContact NH2-O 2.86Å; V178-S219 WeakPolarHBondContact CA-OG 3.33Å; V178-S219 WeakPolarHBondContact CG2-OG 3.44Å; L215-S219 WeakPolarHBondContact O-CB 3.23Å; L215-S219 PolarHBondContact O-N 3.22Å; L215-S219 PolarHBondContact O-OG 2.95Å; V216-S219 PolarHBondContact O-N 2.55Å; S219-P221 VanDerWaalsContact C-CD 3.45Å; S219-P221 WeakPolarHBondContact O-CD 3.39Å
220	F	97.8	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-126.8	69.1	-179.8	-58	-76.9	0	0	0	109.4	L174 V216 W226 F228 F280 L282 V311	L174-F220 HydrophobicContact CD1-CE2 4.22Å; L174-F220 HydrophobicContact CD1-CZ 3.87Å; V216-F220 HydrophobicContact CG1-CD2 4.26Å; V216-F220 PolarHBondContact O-N 3.38Å; F220-W226 HydrophobicContact CB-CB 4.23Å; F220-W226 HydrophobicContact CB-CD2 3.84Å; F220-W226 HydrophobicContact CB-CE3 4.36Å; F220-W226 HydrophobicContact CB-CG 3.75Å; F220-W226 HydrophobicContact CD1-CD2 4.05Å; F220-W226 AromaticContact CD1-CE2 3.58Å; F220-W226 HydrophobicContact CD1-CE3 4.47Å; F220-W226 HydrophobicContact CD1-CH2 4.08Å; F220-W226 AromaticContact CD1-CZ2 3.61Å; F220-W226 HydrophobicContact CD1-CZ2 3.61Å; F220-W226 HydrophobicContact CD1-CZ3 4.5Å; F220-W226 AromaticContact CD1-NE1 3.93Å; F220-W226 HydrophobicContact CE1-CH2 4.44Å; F220-W226 HydrophobicContact CE1-CZ2 4.12Å; F220-W226 HydrophobicContact CG-CD2 4.37Å; F220-W226 VanDerWaalsContact O-CB 3.26Å; F220-W226 WeakPolarHBondContact O-CB 3.44Å; F220-F228 HydrophobicContact CB-CD2 4.09Å; F220-F228 HydrophobicContact CB-CE2 4.03Å; F220-F228 WeakPolarHBondContact O-CD2 3.02Å; F220-F280 HydrophobicContact CE1-CB 4.21Å; F220-F280 AromaticContact CE1-CD2 3.83Å; F220-F280 HydrophobicContact CE1-CD2 3.83Å; F220-F280 HydrophobicContact CE1-CE2 4.39Å; F220-F280 HydrophobicContact CE1-CG 4.14Å; F220-F280 HydrophobicContact CZ-CD2 4.34Å; F220-F280 HydrophobicContact CZ-CG 4.39Å; F220-L282 HydrophobicContact CB-CD2 4.19Å; F220-L282 HydrophobicContact CD1-CD1 4.33Å; F220-L282 HydrophobicContact CD1-CD2 4.1Å; F220-L282 HydrophobicContact CD2-CD2 3.83Å; F220-L282 HydrophobicContact CE1-CD1 4.05Å; F220-L282 HydrophobicContact CE1-CD2 4.46Å; F220-L282 HydrophobicContact CE2-CD2 4.22Å; F220-L282 HydrophobicContact CG-CD2 3.76Å; F220-L282 HydrophobicContact CZ-CD1 4.25Å; F220-V311 HydrophobicContact CE2-CG1 4.37Å; F220-V311 HydrophobicContact CE2-CG2 4.1Å; F220-V311 HydrophobicContact CZ-CG1 3.92Å; F220-V311 HydrophobicContact CZ-CG2 4.46Å
221	P	96.5	Very high	96.5	Very high	20 Å²	20	23 Å²	23	13%	0.13	13%	0.13	C	C	.	.			trans	-81.5	155.3	-169.2	36.2	-38.6	0	0	0	111.9	S219 D223 E224	S219-P221 VanDerWaalsContact C-CD 3.45Å; S219-P221 WeakPolarHBondContact O-CD 3.39Å; P221-D223 VanDerWaalsContact C-N 3.27Å; P221-D223 WeakPolarHBondContact CB-OD1 3.41Å; P221-D223 WeakPolarHBondContact CG-OD1 3.47Å; P221-D223 PolarHBondContact O-N 3.26Å; P221-E224 HydrophobicContact CG-CB 4.4Å; P221-E224 HydrophobicContact CG-CG 4.16Å; P221-E224 PolarHBondContact O-N 3.28Å; P221-E224 VanDerWaalsContact O-N 3.09Å
222	S	93.6	Very high	96.5	Very high	50 Å²	50	24 Å²	24	35%	0.35	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-70	-18.7	-176.5	52.2	0	0	0	0	115.1	E224 G225 W226	S222-E224 PolarHBondContact O-N 3.42Å; S222-G225 PolarHBondContact O-N 3.3Å; S222-W226 VanDerWaalsContact CA-O 3.31Å; S222-W226 WeakPolarHBondContact CA-O 3.27Å; S222-W226 WeakPolarHBondContact CB-O 3.34Å
223	D	92.6	Very high	96.5	Very high	127 Å²	127	23.7 Å²	23.7	68%	0.679	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-70	-18.7	171.1	61.6	-19.8	0	0	0	112.9	P221 G225	P221-D223 VanDerWaalsContact C-N 3.27Å; P221-D223 WeakPolarHBondContact CB-OD1 3.41Å; P221-D223 WeakPolarHBondContact CG-OD1 3.47Å; P221-D223 PolarHBondContact O-N 3.26Å; D223-G225 VanDerWaalsContact C-N 3.31Å
224	E	94.9	Very high	96.5	Very high	54 Å²	54	23.7 Å²	23.7	25%	0.252	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-93.2	11.1	167.7	-68	-171.1	-177.4	0	0	113.2	R177 R181 P221 S222 F278	R177-E224 IonicContact CZ-OE2 3.69Å; R177-E224 IonicContact NH1-OE2 3.85Å; R177-E224 PolarHBondContact NH1-OE2 2.84Å; R177-E224 IonicContact NH2-OE2 3.19Å; R177-E224 PolarHBondContact NH2-OE2 3.47Å; R181-E224 IonicContact CZ-OE1 3.34Å; R181-E224 IonicContact NH1-OE1 3.5Å; R181-E224 PolarHBondContact NH1-OE1 3.26Å; R181-E224 IonicContact NH2-OE1 3.51Å; R181-E224 PolarHBondContact NH2-OE1 3.23Å; P221-E224 HydrophobicContact CG-CB 4.4Å; P221-E224 HydrophobicContact CG-CG 4.16Å; P221-E224 PolarHBondContact O-N 3.28Å; P221-E224 VanDerWaalsContact O-N 3.09Å; S222-E224 PolarHBondContact O-N 3.42Å; E224-F278 HydrophobicContact CB-CZ 4.41Å
225	G	94.9	Very high	96.5	Very high	45 Å²	45	23.6 Å²	23.6	46%	0.464	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	1	176.6	0	0	0	0	0	115	S222 D223 Q272	S222-G225 PolarHBondContact O-N 3.3Å; D223-G225 VanDerWaalsContact C-N 3.31Å; G225-Q272 PolarHBondContact O-NE2 3.17Å
226	W	97.9	Very high	96.4	Very high	6 Å²	6	23.5 Å²	23.5	2%	0.023	13%	0.133	C	C	.	.			trans	-68.6	141.9	177.4	-66.5	94.2	0	0	0	112	F220 S222 F228 L273 N276 F278 L282	F220-W226 HydrophobicContact CB-CB 4.23Å; F220-W226 HydrophobicContact CB-CD2 3.84Å; F220-W226 HydrophobicContact CB-CE3 4.36Å; F220-W226 HydrophobicContact CB-CG 3.75Å; F220-W226 HydrophobicContact CD1-CD2 4.05Å; F220-W226 AromaticContact CD1-CE2 3.58Å; F220-W226 HydrophobicContact CD1-CE3 4.47Å; F220-W226 HydrophobicContact CD1-CH2 4.08Å; F220-W226 AromaticContact CD1-CZ2 3.61Å; F220-W226 HydrophobicContact CD1-CZ2 3.61Å; F220-W226 HydrophobicContact CD1-CZ3 4.5Å; F220-W226 AromaticContact CD1-NE1 3.93Å; F220-W226 HydrophobicContact CE1-CH2 4.44Å; F220-W226 HydrophobicContact CE1-CZ2 4.12Å; F220-W226 HydrophobicContact CG-CD2 4.37Å; F220-W226 VanDerWaalsContact O-CB 3.26Å; F220-W226 WeakPolarHBondContact O-CB 3.44Å; S222-W226 VanDerWaalsContact CA-O 3.31Å; S222-W226 WeakPolarHBondContact CA-O 3.27Å; S222-W226 WeakPolarHBondContact CB-O 3.34Å; W226-F228 HydrophobicContact CB-CD2 3.87Å; W226-F228 HydrophobicContact CB-CE2 4.38Å; W226-F228 HydrophobicContact CE3-CE2 4.29Å; W226-F228 PolarHBondContact O-N 3.06Å; W226-L273 HydrophobicContact CE3-CD2 4Å; W226-L273 HydrophobicContact CZ3-CD2 4.02Å; W226-N276 WeakPolarHBondContact CH2-ND2 3.33Å; W226-F278 HydrophobicContact CZ2-CB 4.17Å; W226-F278 AromaticContact CZ2-CD2 3.61Å; W226-F278 HydrophobicContact CZ2-CD2 3.61Å; W226-F278 HydrophobicContact CZ2-CE2 4.3Å; W226-F278 HydrophobicContact CZ2-CG 4.11Å; W226-F278 AromaticContact NE1-CE2 3.84Å; W226-L282 HydrophobicContact CE3-CD2 3.99Å; W226-L282 HydrophobicContact CH2-CD1 3.55Å; W226-L282 HydrophobicContact CH2-CD2 4.42Å; W226-L282 HydrophobicContact CZ3-CD1 3.56Å; W226-L282 HydrophobicContact CZ3-CD2 3.77Å; W226-L282 HydrophobicContact CZ3-CG 4.21Å
227	P	97.3	Very high	96.3	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.058	13%	0.133	C	C	.	.	S	Bend	trans	-84.1	41.5	-171.4	35.7	-36.5	0	0	0	112.8	I269 L273 I303	P227-I269 HydrophobicContact CB-CD1 4.23Å; P227-I269 HydrophobicContact CB-CG1 3.91Å; P227-I269 HydrophobicContact CB-CG2 4.49Å; P227-I269 HydrophobicContact CG-CG1 4.2Å; P227-I269 HydrophobicContact CG-CG2 3.99Å; P227-L273 HydrophobicContact CG-CD2 4.02Å; P227-L273 HydrophobicContact CG-CG 4.48Å; P227-I303 HydrophobicContact CG-CD1 4.15Å; P227-I303 WeakPolarHBondContact O-CB 3.38Å; P227-I303 PolarHBondContact O-N 2.81Å
228	F	97.8	Very high	96.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-108.9	153.7	-178.2	-67.1	-70	0	0	0	112.8	V216 L217 F220 W226 L273 L282 I302 I303 A306	V216-F228 HydrophobicContact CG1-CE1 4.29Å; V216-F228 HydrophobicContact CG1-CE2 4.36Å; V216-F228 HydrophobicContact CG1-CZ 4.12Å; L217-F228 HydrophobicContact CD2-CB 3.71Å; L217-F228 HydrophobicContact CD2-CD1 4.14Å; L217-F228 HydrophobicContact CD2-CG 4.15Å; F220-F228 HydrophobicContact CB-CD2 4.09Å; F220-F228 HydrophobicContact CB-CE2 4.03Å; F220-F228 WeakPolarHBondContact O-CD2 3.02Å; W226-F228 HydrophobicContact CB-CD2 3.87Å; W226-F228 HydrophobicContact CB-CE2 4.38Å; W226-F228 HydrophobicContact CE3-CE2 4.29Å; W226-F228 PolarHBondContact O-N 3.06Å; F228-L273 HydrophobicContact CE2-CD2 4.17Å; F228-L273 HydrophobicContact CZ-CD2 4.06Å; F228-L282 HydrophobicContact CE2-CD2 3.59Å; F228-L282 HydrophobicContact CZ-CD2 3.78Å; F228-I302 VanDerWaalsContact C-CG2 3.42Å; F228-I303 CarbonylContact C-O 3.57Å; F228-I303 WeakPolarHBondContact CA-O 3.17Å; F228-I303 HydrophobicContact CD1-CB 3.68Å; F228-I303 HydrophobicContact CD1-CD1 4.13Å; F228-I303 HydrophobicContact CD1-CG2 3.75Å; F228-I303 HydrophobicContact CE1-CB 3.96Å; F228-I303 HydrophobicContact CE1-CD1 3.67Å; F228-I303 HydrophobicContact CE1-CG1 4.44Å; F228-I303 HydrophobicContact CE1-CG2 3.77Å; F228-I303 HydrophobicContact CZ-CD1 4.17Å; F228-A306 HydrophobicContact CD1-CB 4.15Å; F228-A306 HydrophobicContact CE1-CB 4.05Å
229	A	96	Very high	96.2	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-56.6	142.2	167	0	0	0	0	0	110.7	Y231 V244 I303 V304	A229-Y231 PolarHBondContact O-N 3.44Å; A229-V244 HydrophobicContact CB-CG2 4.32Å; A229-I303 PolarHBondContact N-O 3.15Å; A229-V304 HydrophobicContact CB-CG1 4.42Å
230	K	95.9	Very high	96.1	Very high	114 Å²	114	22.9 Å²	22.9	50%	0.496	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-74.9	116.7	178.6	-173.9	171.5	-176.4	168.5	0	110	L232 V241 N242	K230-L232 HydrophobicContact CD-CD2 4.36Å; K230-L232 HydrophobicContact CG-CD2 4.18Å; K230-L232 PolarHBondContact O-N 2.91Å; K230-V241 WeakPolarHBondContact O-CA 3.03Å; K230-N242 WeakPolarHBondContact CA-OD1 3.25Å; K230-N242 HydrophobicContact CB-CB 4.23Å; K230-N242 PolarHBondContact N-OD1 3.09Å; K230-N242 PolarHBondContact O-N 3.14Å; K230-N242 PolarHBondContact O-OD1 3Å
231	Y	96.6	Very high	96	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.082	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129.9	164.4	-176.4	-102	0	0	0	110.4	A183 E184 P214 Q218 A229 G233 A234 V239	A183-Y231 HydrophobicContact CB-CD1 4.35Å; A183-Y231 HydrophobicContact CB-CE1 4.17Å; E184-Y231 VanDerWaalsContact CD-OH 3.27Å; E184-Y231 WeakPolarHBondContact OE1-CE1 3.18Å; E184-Y231 PolarHBondContact OE1-OH 3.09Å; P214-Y231 HydrophobicContact CB-CD2 4.18Å; P214-Y231 HydrophobicContact CB-CE2 3.85Å; Q218-Y231 HydrophobicContact CG-CD1 3.43Å; Q218-Y231 VanDerWaalsContact CG-CD1 3.43Å; Q218-Y231 HydrophobicContact CG-CD2 4.38Å; Q218-Y231 HydrophobicContact CG-CE1 3.92Å; Q218-Y231 HydrophobicContact CG-CG 3.68Å; A229-Y231 PolarHBondContact O-N 3.44Å; Y231-G233 VanDerWaalsContact CE1-CA 3.45Å; Y231-G233 VanDerWaalsContact CZ-CA 3.49Å; Y231-G233 VanDerWaalsContact OH-C 3.24Å; Y231-A234 VanDerWaalsContact OH-CB 3.32Å; Y231-A234 WeakPolarHBondContact OH-CB 3.47Å; Y231-A234 PolarHBondContact OH-N 2.73Å; Y231-V239 HydrophobicContact CD2-CG1 3.95Å; Y231-V239 HydrophobicContact CE2-CG1 3.56Å; Y231-V239 HydrophobicContact CE2-CG2 4.41Å
232	L	95.4	Very high	95.9	Very high	30 Å²	30	24.6 Å²	24.6	16%	0.157	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-40.2	180	-57.5	179.1	0	0	0	111.9	W63 V106 K230 A240 N242	W63-L232 HydrophobicContact CD2-CB 4.43Å; W63-L232 HydrophobicContact CH2-CB 3.63Å; W63-L232 HydrophobicContact CH2-CD1 3.62Å; W63-L232 HydrophobicContact CH2-CG 4.21Å; W63-L232 HydrophobicContact CZ2-CB 3.42Å; W63-L232 VanDerWaalsContact CZ2-CB 3.42Å; W63-L232 HydrophobicContact CZ2-CD1 4.17Å; W63-L232 HydrophobicContact CZ2-CG 4.28Å; W63-L232 HydrophobicContact CZ3-CB 4.2Å; W63-L232 HydrophobicContact CZ3-CD1 4.27Å; W63-L232 PolarHBondContact NE1-O 3.07Å; V106-L232 HydrophobicContact CB-CD1 4.27Å; V106-L232 HydrophobicContact CG1-CD1 3.61Å; K230-L232 HydrophobicContact CD-CD2 4.36Å; K230-L232 HydrophobicContact CG-CD2 4.18Å; K230-L232 PolarHBondContact O-N 2.91Å; L232-A240 HydrophobicContact CB-CB 4.34Å; L232-A240 WeakPolarHBondContact CB-O 3.35Å; L232-A240 PolarHBondContact N-O 3.07Å; L232-N242 HydrophobicContact CD1-CB 4.39Å; L232-N242 HydrophobicContact CD2-CB 4.41Å
233	G	96.1	Very high	95.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-179.2	179.3	0	0	0	0	0	112.2	S62 Y231 A240	S62-G233 VanDerWaalsContact OG-CA 3.27Å; S62-G233 WeakPolarHBondContact OG-CA 3.41Å; Y231-G233 VanDerWaalsContact CE1-CA 3.45Å; Y231-G233 VanDerWaalsContact CZ-CA 3.49Å; Y231-G233 VanDerWaalsContact OH-C 3.24Å; G233-A240 PolarHBondContact N-O 3.06Å; G233-A240 PolarHBondContact O-N 3.19Å
234	A	97.2	Very high	96	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.7	178.6	0	0	0	0	0	113.2	F59 T61 S62 W63 E184 Y231 M238 V239	F59-A234 HydrophobicContact CB-CB 4.48Å; T61-A234 CarbonylContact C-O 3.58Å; T61-A234 VanDerWaalsContact C-O 3.27Å; T61-A234 WeakPolarHBondContact CA-O 3.35Å; S62-A234 PolarHBondContact N-O 2.92Å; S62-A234 PolarHBondContact OG-N 2.91Å; W63-A234 PolarHBondContact N-O 2.89Å; E184-A234 PolarHBondContact OE1-N 3.29Å; Y231-A234 VanDerWaalsContact OH-CB 3.32Å; Y231-A234 WeakPolarHBondContact OH-CB 3.47Å; Y231-A234 PolarHBondContact OH-N 2.73Å; A234-M238 CarbonylContact C-O 3.58Å; A234-M238 VanDerWaalsContact CA-O 3.3Å; A234-M238 WeakPolarHBondContact CA-O 3.23Å; A234-V239 HydrophobicContact CB-CG2 4.03Å
235	C	97.3	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	117	163	-172	0	0	0	0	111.6	I50 G60 C64 F67 R237 M238	I50-C235 HydrophobicContact CD1-CB 4.11Å; I50-C235 WeakPolarHBondContact CD1-SG 3.43Å; G60-C235 CarbonylContact O-C 3.3Å; G60-C235 WeakPolarHBondContact O-CA 3.34Å; C64-C235 WeakPolarHBondContact CA-SG 3.33Å; C64-C235 HydrophobicContact CB-CB 3.94Å; C64-C235 WeakPolarHBondContact CB-SG 3.31Å; C64-C235 WeakPolarHBondContact SG-CA 3.48Å; C64-C235 WeakPolarHBondContact SG-CB 3.42Å; C64-C235 CovalentContact SG-SG 2.04Å; C64-C235 PolarHBondContact SG-SG 3.28Å; F67-C235 HydrophobicContact CD2-CB 3.91Å; F67-C235 HydrophobicContact CE2-CB 4.21Å; F67-C235 HydrophobicContact CG-CB 4.18Å; C235-R237 PolarHBondContact O-N 3.12Å; C235-M238 PolarHBondContact N-O 2.79Å; C235-M238 PolarHBondContact O-N 3.48Å
236	G	96.1	Very high	95.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	64.8	-129	-174.2	0	0	0	0	0	110	I50 C58 F59 G60 M238	I50-G236 WeakPolarHBondContact O-CA 3.43Å; C58-G236 WeakPolarHBondContact CB-O 3.32Å; F59-G236 PolarHBondContact N-O 3.43Å; G60-G236 PolarHBondContact O-N 3Å; G236-M238 VanDerWaalsContact C-N 3.32Å
237	R	95.1	Very high	95.5	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	29.4	175.4	-62.6	-167.9	-179.3	173.2	2.1	112.9	I50 N51 A57 C58 F59 R110 L117 D121 C235	I50-R237 PolarHBondContact O-N 3.02Å; N51-R237 HydrophobicContact CB-CB 4.04Å; N51-R237 HydrophobicContact CB-CG 3.99Å; A57-R237 PolarHBondContact O-NE 3.33Å; A57-R237 PolarHBondContact O-NH2 3.47Å; C58-R237 HydrophobicContact CB-CG 4.23Å; F59-R237 VanDerWaalsContact CD2-CA 3.44Å; F59-R237 HydrophobicContact CD2-CB 3.98Å; F59-R237 HydrophobicContact CD2-CG 4.44Å; F59-R237 HydrophobicContact CE2-CB 3.73Å; F59-R237 HydrophobicContact CE2-CG 4.2Å; R110-R237 WeakPolarHBondContact CA-O 2.96Å; L117-R237 PolarHBondContact O-NH1 3Å; D121-R237 IonicContact OD1-CZ 3.74Å; D121-R237 IonicContact OD1-NH1 3.9Å; D121-R237 PolarHBondContact OD1-NH1 3.4Å; D121-R237 IonicContact OD1-NH2 2.71Å; D121-R237 PolarHBondContact OD1-NH2 3.2Å; D121-R237 IonicContact OD2-NH1 2.65Å; C235-R237 PolarHBondContact O-N 3.12Å
238	M	95.6	Very high	95.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.5	175.8	-163.9	71.2	68.1	0	0	109.2	F49 I50 F67 Y92 L108 R110 A234 C235 G236	F49-M238 HydrophobicContact CE1-CE 4Å; I50-M238 HydrophobicContact CB-CB 4.38Å; I50-M238 HydrophobicContact CG2-CB 4.47Å; F67-M238 HydrophobicContact CE1-CG 4.13Å; F67-M238 HydrophobicContact CZ-CG 4.17Å; Y92-M238 HydrophobicContact CD2-CE 4.42Å; Y92-M238 HydrophobicContact CD2-SD 4.3Å; Y92-M238 HydrophobicContact CE2-CE 4.27Å; L108-M238 HydrophobicContact CB-CG 4Å; L108-M238 HydrophobicContact CB-SD 3.76Å; R110-M238 HydrophobicContact CG-CE 3.75Å; R110-M238 HydrophobicContact CG-SD 3.83Å; A234-M238 CarbonylContact C-O 3.58Å; A234-M238 VanDerWaalsContact CA-O 3.3Å; A234-M238 WeakPolarHBondContact CA-O 3.23Å; C235-M238 PolarHBondContact N-O 2.79Å; C235-M238 PolarHBondContact O-N 3.48Å; G236-M238 VanDerWaalsContact C-N 3.32Å
239	V	96.9	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.5	174.1	165	0	0	0	0	109.1	F59 L108 K109 L111 P214 Y231 A234 V241	F59-V239 HydrophobicContact CB-CG2 3.91Å; F59-V239 HydrophobicContact CD2-CG2 4.19Å; F59-V239 HydrophobicContact CG-CG2 4.33Å; L108-V239 CarbonylContact C-O 3.56Å; L108-V239 VanDerWaalsContact CA-O 3.27Å; L108-V239 WeakPolarHBondContact CA-O 3.47Å; K109-V239 PolarHBondContact N-O 2.73Å; K109-V239 PolarHBondContact O-N 2.9Å; L111-V239 HydrophobicContact CD1-CB 4.5Å; L111-V239 HydrophobicContact CD1-CG2 3.81Å; L111-V239 HydrophobicContact CD2-CB 4.41Å; L111-V239 HydrophobicContact CG-CB 4.47Å; L111-V239 HydrophobicContact CG-CG2 4.27Å; P214-V239 HydrophobicContact CB-CG1 4.49Å; P214-V239 HydrophobicContact CB-CG2 4.4Å; P214-V239 HydrophobicContact CG-CG1 4.27Å; P214-V239 HydrophobicContact CG-CG2 3.85Å; Y231-V239 HydrophobicContact CD2-CG1 3.95Å; Y231-V239 HydrophobicContact CE2-CG1 3.56Å; Y231-V239 HydrophobicContact CE2-CG2 4.41Å; A234-V239 HydrophobicContact CB-CG2 4.03Å; V239-V241 HydrophobicContact CG1-CG1 3.98Å
240	A	96.8	Very high	95	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.2	174.9	0	0	0	0	0	110	W63 V107 L108 L232 G233	W63-A240 HydrophobicContact CD2-CB 4.36Å; W63-A240 HydrophobicContact CE3-CB 3.56Å; W63-A240 HydrophobicContact CZ3-CB 3.69Å; V107-A240 WeakPolarHBondContact O-CA 3.32Å; L108-A240 HydrophobicContact CD2-CB 3.74Å; L232-A240 HydrophobicContact CB-CB 4.34Å; L232-A240 WeakPolarHBondContact CB-O 3.35Å; L232-A240 PolarHBondContact N-O 3.07Å; G233-A240 PolarHBondContact N-O 3.06Å; G233-A240 PolarHBondContact O-N 3.19Å
241	V	96	Very high	95	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.7	173.9	-55.8	0	0	0	0	109.5	V106 V107 L217 K230 V239	V106-V241 WeakPolarHBondContact CA-O 3.44Å; V106-V241 WeakPolarHBondContact CB-O 3.43Å; V107-V241 HydrophobicContact CB-CG2 3.77Å; V107-V241 HydrophobicContact CG1-CG2 4.33Å; V107-V241 PolarHBondContact N-O 2.9Å; V107-V241 PolarHBondContact O-N 3.13Å; L217-V241 HydrophobicContact CD1-CG1 3.65Å; K230-V241 WeakPolarHBondContact O-CA 3.03Å; V239-V241 HydrophobicContact CG1-CG1 3.98Å
242	N	93.9	Very high	94.9	Very high	51 Å²	51	25 Å²	25	27%	0.273	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	146.4	176.2	72.5	-37.8	0	0	0	111	K230 L232	K230-N242 WeakPolarHBondContact CA-OD1 3.25Å; K230-N242 HydrophobicContact CB-CB 4.23Å; K230-N242 PolarHBondContact N-OD1 3.09Å; K230-N242 PolarHBondContact O-N 3.14Å; K230-N242 PolarHBondContact O-OD1 3Å; L232-N242 HydrophobicContact CD1-CB 4.39Å; L232-N242 HydrophobicContact CD2-CB 4.41Å
243	Y	93.9	Very high	94.9	Very high	50 Å²	50	30.1 Å²	30.1	20%	0.196	15%	0.153	C	C	.	.			trans	-76.8	124.5	167	179.3	-94.2	0	0	0	109.2	F93 R105 V107 G245	F93-Y243 AromaticContact CD1-CD2 3.77Å; F93-Y243 HydrophobicContact CD1-CD2 3.77Å; F93-Y243 AromaticContact CD1-CE2 3.77Å; F93-Y243 HydrophobicContact CD1-CE2 3.77Å; F93-Y243 AromaticContact CE1-CD2 3.8Å; F93-Y243 HydrophobicContact CE1-CD2 3.8Å; F93-Y243 AromaticContact CE1-CE2 3.56Å; F93-Y243 HydrophobicContact CE1-CE2 3.56Å; R105-Y243 HydrophobicContact CB-CD1 4.09Å; R105-Y243 HydrophobicContact CB-CG 3.91Å; R105-Y243 PolarHBondContact NH1-OH 2.88Å; R105-Y243 WeakPolarHBondContact O-CB 3.36Å; R105-Y243 PolarHBondContact O-N 3.23Å; V107-Y243 HydrophobicContact CG2-CD2 3.82Å; Y243-G245 VanDerWaalsContact CE1-CA 3.44Å; Y243-G245 PolarHBondContact OH-O 3.25Å
244	V	93.8	Very high	94.9	Very high	21 Å²	21	31 Å²	31	13%	0.127	16%	0.16	C	C	.	.			trans	-85.7	-58.5	176.3	174.3	0	0	0	0	110.2	A229 A293 P296 I302 V304	A229-V244 HydrophobicContact CB-CG2 4.32Å; V244-A293 HydrophobicContact CB-CB 3.95Å; V244-A293 HydrophobicContact CG1-CB 3.89Å; V244-P296 WeakPolarHBondContact O-CD 3.49Å; V244-I302 HydrophobicContact CG1-CB 3.84Å; V244-I302 HydrophobicContact CG1-CG1 3.98Å; V244-I302 HydrophobicContact CG2-CB 4.08Å; V244-I302 HydrophobicContact CG2-CG2 3.85Å; V244-V304 HydrophobicContact CB-CG1 4.03Å; V244-V304 HydrophobicContact CG2-CG1 3.7Å
245	G	92.6	Very high	94.8	Very high	9 Å²	9	35.3 Å²	35.3	9%	0.093	19%	0.188	C	C	.	.			trans	168.6	-160.4	-169.4	0	0	0	0	0	111.9	Y243 V294	Y243-G245 VanDerWaalsContact CE1-CA 3.44Å; Y243-G245 PolarHBondContact OH-O 3.25Å; G245-V294 WeakPolarHBondContact CA-O 3.39Å
246	E	91.9	Very high	94.7	Very high	109 Å²	109	36.5 Å²	36.5	51%	0.509	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146.2	175.5	-63.8	-173	172	0	0	110.8	S250 F251 A293 V294	E246-S250 WeakPolarHBondContact OE2-CB 3.43Å; E246-F251 HydrophobicContact CB-CE2 4.02Å; E246-F251 HydrophobicContact CB-CZ 4.41Å; E246-A293 CarbonylContact O-C 3.52Å; E246-A293 WeakPolarHBondContact O-CA 3.09Å; E246-A293 WeakPolarHBondContact O-CB 3.37Å; E246-V294 PolarHBondContact O-N 3.19Å
247	E	92.9	Very high	94.7	Very high	74 Å²	74	39.9 Å²	39.9	35%	0.346	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	152.6	173.4	-68.4	169	-167.6	0	0	111	W249 S250 F292	E247-W249 PolarHBondContact O-N 3.37Å; E247-W249 VanDerWaalsContact O-N 3.11Å; E247-S250 WeakPolarHBondContact O-CB 3.31Å; E247-S250 PolarHBondContact O-N 2.96Å; E247-F292 CarbonylContact C-O 3.27Å; E247-F292 WeakPolarHBondContact CA-O 3.42Å
248	L	94.2	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.3	-31.5	-177.6	-170.8	67	0	0	0	112.4	S250 F251 L262 L266 F289 F292 V294 L366 L380	L248-S250 PolarHBondContact O-N 2.84Å; L248-F251 WeakPolarHBondContact O-CB 3.37Å; L248-F251 PolarHBondContact O-N 2.7Å; L248-L262 HydrophobicContact CD1-CB 4.39Å; L248-L262 HydrophobicContact CD1-CD1 4.18Å; L248-L266 HydrophobicContact CD2-CD1 3.86Å; L248-L266 HydrophobicContact CD2-CD2 4.32Å; L248-F289 HydrophobicContact CB-CD1 4.13Å; L248-F289 WeakPolarHBondContact CB-O 3.49Å; L248-F289 HydrophobicContact CD2-CD1 3.88Å; L248-F289 HydrophobicContact CD2-CE1 4.31Å; L248-F289 HydrophobicContact CG-CD1 3.87Å; L248-F289 HydrophobicContact CG-CE1 4.39Å; L248-F289 PolarHBondContact N-O 3.01Å; L248-F292 HydrophobicContact CB-CB 4.05Å; L248-F292 HydrophobicContact CD2-CB 4.2Å; L248-F292 HydrophobicContact CD2-CD2 4.44Å; L248-F292 PolarHBondContact N-O 2.76Å; L248-V294 HydrophobicContact CD1-CG2 4.1Å; L248-L366 HydrophobicContact CD2-CD1 4.4Å; L248-L366 HydrophobicContact CD2-CD2 4.27Å; L248-L380 HydrophobicContact CD1-CD1 4.03Å; L248-L380 HydrophobicContact CD2-CD1 4.01Å; L248-L380 HydrophobicContact CG-CD1 4.14Å
249	W	93	Very high	94.8	Very high	53 Å²	53	43.5 Å²	43.5	20%	0.201	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.9	177.1	-178.9	-112.8	0	0	0	113.5	E247 F251 Y252 F289 W373 R374 T376	E247-W249 PolarHBondContact O-N 3.37Å; E247-W249 VanDerWaalsContact O-N 3.11Å; W249-F251 PolarHBondContact O-N 2.96Å; W249-Y252 AromaticContact CE3-CD2 3.91Å; W249-Y252 HydrophobicContact CE3-CD2 3.91Å; W249-Y252 HydrophobicContact CE3-CG 4.06Å; W249-Y252 HydrophobicContact CH2-CD1 4.29Å; W249-Y252 HydrophobicContact CH2-CD2 4.08Å; W249-Y252 HydrophobicContact CH2-CE2 4.47Å; W249-Y252 AromaticContact CH2-CG 3.99Å; W249-Y252 HydrophobicContact CH2-CG 3.99Å; W249-Y252 HydrophobicContact CZ3-CD1 4.32Å; W249-Y252 AromaticContact CZ3-CD2 3.34Å; W249-Y252 HydrophobicContact CZ3-CD2 3.34Å; W249-Y252 AromaticContact CZ3-CE2 3.9Å; W249-Y252 HydrophobicContact CZ3-CE2 3.9Å; W249-Y252 AromaticContact CZ3-CG 3.59Å; W249-Y252 HydrophobicContact CZ3-CG 3.59Å; W249-Y252 VanDerWaalsContact O-CB 3.29Å; W249-Y252 WeakPolarHBondContact O-CB 3.47Å; W249-Y252 PolarHBondContact O-N 2.92Å; W249-F289 HydrophobicContact CB-CB 3.92Å; W249-F289 HydrophobicContact CB-CG 4.49Å; W249-F289 HydrophobicContact CE3-CB 4.47Å; W249-F289 HydrophobicContact CE3-CD1 4.11Å; W249-F289 HydrophobicContact CE3-CD2 4.26Å; W249-F289 HydrophobicContact CE3-CE1 4.4Å; W249-F289 HydrophobicContact CE3-CG 4.03Å; W249-W373 AromaticContact CD2-CD1 3.41Å; W249-W373 VanDerWaalsContact CD2-CD1 3.41Å; W249-W373 AromaticContact CD2-NE1 3.81Å; W249-W373 AromaticContact CE2-CD1 3.9Å; W249-W373 HydrophobicContact CE3-CB 4.34Å; W249-W373 AromaticContact CE3-CD1 3.22Å; W249-W373 HydrophobicContact CE3-CG 4.05Å; W249-W373 AromaticContact CE3-NE1 3.98Å; W249-W373 AromaticContact CG-NE1 3.89Å; W249-W373 AromaticContact CH2-CD1 3.99Å; W249-W373 HydrophobicContact CZ3-CB 3.95Å; W249-W373 AromaticContact CZ3-CD1 3.53Å; W249-W373 HydrophobicContact CZ3-CG 4.11Å; W249-R374 HydrophobicContact CZ2-CB 4.41Å; W249-T376 HydrophobicContact CH2-CG2 4.42Å
250	S	93.6	Very high	94.8	Very high	69 Å²	69	43.5 Å²	43.5	48%	0.483	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-60.2	-20.8	177.4	-64.6	0	0	0	0	112.8	E246 E247 L248	E246-S250 WeakPolarHBondContact OE2-CB 3.43Å; E247-S250 WeakPolarHBondContact O-CB 3.31Å; E247-S250 PolarHBondContact O-N 2.96Å; L248-S250 PolarHBondContact O-N 2.84Å
251	F	95.3	Very high	94.9	Very high	39 Å²	39	45.2 Å²	45.2	17%	0.171	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-98.3	5.7	-179.8	-57.4	-88.7	0	0	0	113.4	E246 L248 W249 N253 A254 K258 L262 V294	E246-F251 HydrophobicContact CB-CE2 4.02Å; E246-F251 HydrophobicContact CB-CZ 4.41Å; L248-F251 WeakPolarHBondContact O-CB 3.37Å; L248-F251 PolarHBondContact O-N 2.7Å; W249-F251 PolarHBondContact O-N 2.96Å; F251-N253 VanDerWaalsContact C-N 3.28Å; F251-N253 PolarHBondContact O-N 3.38Å; F251-A254 HydrophobicContact CB-CB 4.08Å; F251-A254 HydrophobicContact CD1-CB 4.35Å; F251-A254 WeakPolarHBondContact O-CB 3.06Å; F251-A254 PolarHBondContact O-N 2.99Å; F251-K258 HydrophobicContact CD1-CG 4.49Å; F251-L262 HydrophobicContact CB-CD1 3.53Å; F251-L262 HydrophobicContact CD1-CD1 4.12Å; F251-L262 HydrophobicContact CD2-CD1 4.37Å; F251-L262 HydrophobicContact CG-CD1 3.74Å; F251-V294 HydrophobicContact CD2-CB 4.23Å; F251-V294 HydrophobicContact CD2-CG2 3.67Å; F251-V294 HydrophobicContact CE2-CB 3.52Å; F251-V294 HydrophobicContact CE2-CG1 4.29Å; F251-V294 HydrophobicContact CE2-CG2 3.48Å; F251-V294 VanDerWaalsContact CE2-CG2 3.48Å; F251-V294 HydrophobicContact CG-CG2 4.45Å; F251-V294 HydrophobicContact CZ-CB 3.76Å; F251-V294 HydrophobicContact CZ-CG1 4.08Å; F251-V294 HydrophobicContact CZ-CG2 4.12Å
252	Y	94.8	Very high	95	Very high	16 Å²	16	45 Å²	45	6%	0.063	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-44.9	-179.6	-173.2	-92.5	0	0	0	111.8	W249 R259 F289 T376 T377 G379 H382	W249-Y252 AromaticContact CE3-CD2 3.91Å; W249-Y252 HydrophobicContact CE3-CD2 3.91Å; W249-Y252 HydrophobicContact CE3-CG 4.06Å; W249-Y252 HydrophobicContact CH2-CD1 4.29Å; W249-Y252 HydrophobicContact CH2-CD2 4.08Å; W249-Y252 HydrophobicContact CH2-CE2 4.47Å; W249-Y252 AromaticContact CH2-CG 3.99Å; W249-Y252 HydrophobicContact CH2-CG 3.99Å; W249-Y252 HydrophobicContact CZ3-CD1 4.32Å; W249-Y252 AromaticContact CZ3-CD2 3.34Å; W249-Y252 HydrophobicContact CZ3-CD2 3.34Å; W249-Y252 AromaticContact CZ3-CE2 3.9Å; W249-Y252 HydrophobicContact CZ3-CE2 3.9Å; W249-Y252 AromaticContact CZ3-CG 3.59Å; W249-Y252 HydrophobicContact CZ3-CG 3.59Å; W249-Y252 VanDerWaalsContact O-CB 3.29Å; W249-Y252 WeakPolarHBondContact O-CB 3.47Å; W249-Y252 PolarHBondContact O-N 2.92Å; Y252-R259 WeakPolarHBondContact O-CD 3.43Å; Y252-F289 HydrophobicContact CD2-CE1 4.23Å; Y252-F289 HydrophobicContact CD2-CZ 4.13Å; Y252-F289 HydrophobicContact CE2-CZ 4.45Å; Y252-T376 HydrophobicContact CE1-CG2 3.59Å; Y252-T376 HydrophobicContact CE2-CG2 4.32Å; Y252-T376 VanDerWaalsContact CZ-CG2 3.46Å; Y252-T376 VanDerWaalsContact OH-CG2 3.27Å; Y252-T376 WeakPolarHBondContact OH-CG2 3.25Å; Y252-T377 PolarHBondContact OH-O 3.12Å; Y252-G379 WeakPolarHBondContact CE2-O 3.29Å; Y252-H382 AromaticContact CD1-CE1 3.59Å; Y252-H382 AromaticContact CE1-CE1 3.19Å; Y252-H382 WeakPolarHBondContact CE1-CE1 3.49Å; Y252-H382 AromaticContact CE1-ND1 3.77Å; Y252-H382 AromaticContact CE1-NE2 3.66Å; Y252-H382 AromaticContact CE2-CE1 3.72Å; Y252-H382 AromaticContact CE2-ND1 3.69Å; Y252-H382 AromaticContact CG-CE1 3.98Å; Y252-H382 AromaticContact CZ-CE1 3.25Å; Y252-H382 AromaticContact CZ-ND1 3.33Å; Y252-H382 VanDerWaalsContact CZ-ND1 3.33Å; Y252-H382 PolarHBondContact O-CE1 3.37Å; Y252-H382 PolarHBondContact OH-ND1 2.97Å
253	N	95.3	Very high	95.2	Very high	136 Å²	136	42.6 Å²	42.6	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	20.2	177.3	-64.9	-45.3	0	0	0	113.3	F251	F251-N253 VanDerWaalsContact C-N 3.28Å; F251-N253 PolarHBondContact O-N 3.38Å
254	A	96.3	Very high	95.4	Very high	18 Å²	18	42.4 Å²	42.4	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-66.1	162.6	176	0	0	0	0	0	111.1	F251 W256 K258 R259	F251-A254 HydrophobicContact CB-CB 4.08Å; F251-A254 HydrophobicContact CD1-CB 4.35Å; F251-A254 WeakPolarHBondContact O-CB 3.06Å; F251-A254 PolarHBondContact O-N 2.99Å; A254-W256 PolarHBondContact O-N 2.65Å; A254-K258 HydrophobicContact CB-CB 4.3Å; A254-K258 HydrophobicContact CB-CG 4.3Å; A254-R259 HydrophobicContact CB-CG 4.08Å; A254-R259 WeakPolarHBondContact O-CD 3.47Å; A254-R259 PolarHBondContact O-NE 2.96Å
255	P	96.3	Very high	95.6	Very high	91 Å²	91	42.5 Å²	42.5	59%	0.591	22%	0.217	S	C	*	.			trans	-49.5	142.5	172.4	-27.7	35.7	0	0	0	111.8	E257 K258 R259	P255-E257 PolarHBondContact O-N 3.12Å; P255-E257 VanDerWaalsContact O-N 3.14Å; P255-K258 WeakPolarHBondContact O-CA 3.16Å; P255-K258 WeakPolarHBondContact O-CB 3.42Å; P255-K258 PolarHBondContact O-N 3.32Å; P255-R259 PolarHBondContact O-N 3.24Å; P255-R259 VanDerWaalsContact O-N 3.1Å
256	W	95.4	Very high	95.9	Very high	25 Å²	25	42.1 Å²	42.1	10%	0.095	21%	0.213	C	C	.	.	H	α-helix	trans	-50.6	-43.4	-174.5	174.3	-109.1	0	0	0	112.2	A254 K258 R259 V260 L381 H382 P384 P385 I388 L394	A254-W256 PolarHBondContact O-N 2.65Å; W256-K258 VanDerWaalsContact C-N 3.28Å; W256-K258 PolarHBondContact O-N 3.45Å; W256-R259 PolarHBondContact O-N 2.73Å; W256-R259 VanDerWaalsContact O-N 3.1Å; W256-V260 HydrophobicContact CD2-CG2 3.97Å; W256-V260 VanDerWaalsContact CE2-CG2 3.42Å; W256-V260 HydrophobicContact CG-CG2 4.34Å; W256-V260 HydrophobicContact CH2-CG2 4.39Å; W256-V260 HydrophobicContact CZ2-CG2 3.66Å; W256-V260 WeakPolarHBondContact O-CG2 3.44Å; W256-V260 PolarHBondContact O-N 2.9Å; W256-L381 HydrophobicContact CH2-CB 4.01Å; W256-L381 HydrophobicContact CH2-CD2 3.89Å; W256-L381 WeakPolarHBondContact CH2-O 3.31Å; W256-L381 HydrophobicContact CZ2-CD2 4.41Å; W256-L381 HydrophobicContact CZ3-CB 4.34Å; W256-L381 HydrophobicContact CZ3-CD2 4.31Å; W256-L381 WeakPolarHBondContact CZ3-O 3.35Å; W256-H382 VanDerWaalsContact CZ3-O 3.31Å; W256-H382 WeakPolarHBondContact CZ3-O 3.39Å; W256-P384 HydrophobicContact CH2-CB 3.57Å; W256-P384 HydrophobicContact CZ2-CB 3.67Å; W256-P384 HydrophobicContact CZ3-CB 4.06Å; W256-P385 HydrophobicContact CB-CG 4.27Å; W256-P385 VanDerWaalsContact CD1-CD 3.43Å; W256-P385 VanDerWaalsContact CD2-CD 3.48Å; W256-P385 HydrophobicContact CD2-CG 4.34Å; W256-P385 VanDerWaalsContact CG-CD 3.45Å; W256-P385 HydrophobicContact CG-CG 3.78Å; W256-I388 HydrophobicContact CZ2-CG2 4.41Å; W256-L394 HydrophobicContact CH2-CD2 3.73Å; W256-L394 HydrophobicContact CZ2-CD2 3.76Å
257	E	95.1	Very high	96.3	Very high	72 Å²	72	37 Å²	37	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-38.9	-179.2	-57.7	75.8	-165.4	0	0	111.5	P255 D261 S428 M432	P255-E257 PolarHBondContact O-N 3.12Å; P255-E257 VanDerWaalsContact O-N 3.14Å; E257-D261 PolarHBondContact O-N 3.14Å; E257-S428 VanDerWaalsContact CG-OG 3.24Å; E257-S428 WeakPolarHBondContact CG-OG 3.24Å; E257-M432 HydrophobicContact CB-CE 4.47Å
258	K	95.9	Very high	96.5	Very high	60 Å²	60	36.2 Å²	36.2	26%	0.261	19%	0.187	S	C	.	.	H	α-helix	trans	-69.1	-41	176.2	-176.6	58.1	-174.4	163.7	0	110.8	F251 A254 P255 W256 D261 L262	F251-K258 HydrophobicContact CD1-CG 4.49Å; A254-K258 HydrophobicContact CB-CB 4.3Å; A254-K258 HydrophobicContact CB-CG 4.3Å; P255-K258 WeakPolarHBondContact O-CA 3.16Å; P255-K258 WeakPolarHBondContact O-CB 3.42Å; P255-K258 PolarHBondContact O-N 3.32Å; W256-K258 VanDerWaalsContact C-N 3.28Å; W256-K258 PolarHBondContact O-N 3.45Å; K258-D261 IonicContact NZ-OD2 2.82Å; K258-D261 PolarHBondContact NZ-OD2 3.08Å; K258-D261 PolarHBondContact O-N 2.86Å; K258-L262 HydrophobicContact CD-CG 4.45Å; K258-L262 HydrophobicContact CG-CD1 4.27Å; K258-L262 VanDerWaalsContact O-CG 3.27Å; K258-L262 WeakPolarHBondContact O-CG 3.33Å; K258-L262 PolarHBondContact O-N 3.44Å
259	R	97.4	Very high	96.7	Very high	16 Å²	16	36.7 Å²	36.7	6%	0.06	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-39.4	178	-63.7	-171.5	-72.9	126.5	-18.5	112.3	Y252 A254 P255 W256 L262 A263 L380 H382	Y252-R259 WeakPolarHBondContact O-CD 3.43Å; A254-R259 HydrophobicContact CB-CG 4.08Å; A254-R259 WeakPolarHBondContact O-CD 3.47Å; A254-R259 PolarHBondContact O-NE 2.96Å; P255-R259 PolarHBondContact O-N 3.24Å; P255-R259 VanDerWaalsContact O-N 3.1Å; W256-R259 PolarHBondContact O-N 2.73Å; W256-R259 VanDerWaalsContact O-N 3.1Å; R259-L262 PolarHBondContact O-N 2.85Å; R259-A263 VanDerWaalsContact O-CB 3.29Å; R259-A263 WeakPolarHBondContact O-CB 3.48Å; R259-A263 PolarHBondContact O-N 2.85Å; R259-L380 WeakPolarHBondContact CB-O 3.47Å; R259-L380 WeakPolarHBondContact CD-O 3.5Å; R259-L380 PolarHBondContact NH1-O 2.97Å; R259-H382 PolarHBondContact NH1-O 3.32Å; R259-H382 PolarHBondContact NH2-O 2.97Å; R259-H382 VanDerWaalsContact NH2-O 3.11Å
260	V	97.6	Very high	97	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-44.2	173	170.2	0	0	0	0	111.5	W256 A263 R264 L381 L421 L424	W256-V260 HydrophobicContact CD2-CG2 3.97Å; W256-V260 VanDerWaalsContact CE2-CG2 3.42Å; W256-V260 HydrophobicContact CG-CG2 4.34Å; W256-V260 HydrophobicContact CH2-CG2 4.39Å; W256-V260 HydrophobicContact CZ2-CG2 3.66Å; W256-V260 WeakPolarHBondContact O-CG2 3.44Å; W256-V260 PolarHBondContact O-N 2.9Å; V260-A263 PolarHBondContact O-N 3.19Å; V260-R264 PolarHBondContact O-N 3.1Å; V260-L381 HydrophobicContact CG2-CD2 4.05Å; V260-L421 HydrophobicContact CG1-CB 4.47Å; V260-L421 HydrophobicContact CG1-CD2 4Å; V260-L424 HydrophobicContact CG1-CB 3.71Å; V260-L424 HydrophobicContact CG1-CD1 4.37Å
261	D	97.6	Very high	97.2	Very high	36 Å²	36	33.2 Å²	33.2	19%	0.193	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-46.7	174.7	169.3	64	0	0	0	111.9	E257 K258 R264 Q265	E257-D261 PolarHBondContact O-N 3.14Å; K258-D261 IonicContact NZ-OD2 2.82Å; K258-D261 PolarHBondContact NZ-OD2 3.08Å; K258-D261 PolarHBondContact O-N 2.86Å; D261-R264 PolarHBondContact O-N 3.37Å; D261-R264 IonicContact OD1-CZ 3.4Å; D261-R264 IonicContact OD1-NH1 3.28Å; D261-R264 PolarHBondContact OD1-NH1 2.75Å; D261-R264 IonicContact OD1-NH2 3.48Å; D261-R264 PolarHBondContact OD1-NH2 3.44Å; D261-Q265 WeakPolarHBondContact O-CG 3.38Å; D261-Q265 PolarHBondContact O-N 2.82Å; D261-Q265 VanDerWaalsContact O-N 3.11Å; D261-Q265 PolarHBondContact OD2-NE2 3.37Å; D261-Q265 VanDerWaalsContact OD2-NE2 3.15Å
262	L	98.3	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-42.6	177.2	-64.4	173.9	0	0	0	111.9	L248 F251 K258 R259 R264 Q265 L266 V294 V301 L380	L248-L262 HydrophobicContact CD1-CB 4.39Å; L248-L262 HydrophobicContact CD1-CD1 4.18Å; F251-L262 HydrophobicContact CB-CD1 3.53Å; F251-L262 HydrophobicContact CD1-CD1 4.12Å; F251-L262 HydrophobicContact CD2-CD1 4.37Å; F251-L262 HydrophobicContact CG-CD1 3.74Å; K258-L262 HydrophobicContact CD-CG 4.45Å; K258-L262 HydrophobicContact CG-CD1 4.27Å; K258-L262 VanDerWaalsContact O-CG 3.27Å; K258-L262 WeakPolarHBondContact O-CG 3.33Å; K258-L262 PolarHBondContact O-N 3.44Å; R259-L262 PolarHBondContact O-N 2.85Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 PolarHBondContact O-N 2.83Å; L262-Q265 PolarHBondContact O-N 2.65Å; L262-L266 WeakPolarHBondContact O-CG 3.44Å; L262-L266 PolarHBondContact O-N 3.48Å; L262-V294 HydrophobicContact CD1-CG2 4.33Å; L262-V294 HydrophobicContact CD2-CB 4.44Å; L262-V294 HydrophobicContact CD2-CG1 3.83Å; L262-V294 HydrophobicContact CD2-CG2 3.67Å; L262-V301 HydrophobicContact CB-CG2 4.43Å; L262-V301 HydrophobicContact CD2-CG2 3.54Å; L262-L380 HydrophobicContact CB-CD1 4.26Å
263	A	98.4	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-41.1	176.3	0	0	0	0	0	112.3	R259 V260 L266 M267 L367 L381 L421	R259-A263 VanDerWaalsContact O-CB 3.29Å; R259-A263 WeakPolarHBondContact O-CB 3.48Å; R259-A263 PolarHBondContact O-N 2.85Å; V260-A263 PolarHBondContact O-N 3.19Å; A263-L266 PolarHBondContact O-N 3.31Å; A263-M267 PolarHBondContact O-N 3.09Å; A263-M267 VanDerWaalsContact O-N 3.12Å; A263-L367 HydrophobicContact CB-CD2 3.56Å; A263-L381 HydrophobicContact CB-CD1 4Å; A263-L381 HydrophobicContact CB-CD2 3.73Å; A263-L381 HydrophobicContact CB-CG 3.97Å; A263-L421 HydrophobicContact CB-CD1 4.04Å; A263-L421 HydrophobicContact CB-CD2 4.5Å
264	R	98.4	Very high	97.7	Very high	45 Å²	45	27.3 Å²	27.3	17%	0.17	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-49.2	173.6	-174.5	-152.7	65.4	-112.2	-0.7	110.7	V260 D261 L262 L266 M267 D268 L421 S425	V260-R264 PolarHBondContact O-N 3.1Å; D261-R264 PolarHBondContact O-N 3.37Å; D261-R264 IonicContact OD1-CZ 3.4Å; D261-R264 IonicContact OD1-NH1 3.28Å; D261-R264 PolarHBondContact OD1-NH1 2.75Å; D261-R264 IonicContact OD1-NH2 3.48Å; D261-R264 PolarHBondContact OD1-NH2 3.44Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 PolarHBondContact O-N 2.83Å; R264-L266 VanDerWaalsContact C-N 3.28Å; R264-L266 PolarHBondContact O-N 2.93Å; R264-M267 WeakPolarHBondContact O-CB 3.49Å; R264-M267 PolarHBondContact O-N 3.3Å; R264-M267 VanDerWaalsContact O-N 3.09Å; R264-D268 IonicContact NE-OD2 2.69Å; R264-D268 PolarHBondContact O-N 3.05Å; R264-L421 HydrophobicContact CB-CB 3.96Å; R264-L421 HydrophobicContact CG-CB 4.34Å; R264-S425 PolarHBondContact NH1-OG 3.14Å
265	Q	98.5	Very high	97.7	Very high	24 Å²	24	29.9 Å²	29.9	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-37	179.2	-67.1	-176.7	56.8	0	0	112.5	D261 L262 M267 D268 I269 G299 K300 V301	D261-Q265 WeakPolarHBondContact O-CG 3.38Å; D261-Q265 PolarHBondContact O-N 2.82Å; D261-Q265 VanDerWaalsContact O-N 3.11Å; D261-Q265 PolarHBondContact OD2-NE2 3.37Å; D261-Q265 VanDerWaalsContact OD2-NE2 3.15Å; L262-Q265 PolarHBondContact O-N 2.65Å; Q265-M267 VanDerWaalsContact C-N 3.35Å; Q265-D268 WeakPolarHBondContact O-CB 3.27Å; Q265-D268 PolarHBondContact O-N 3.02Å; Q265-I269 VanDerWaalsContact O-CG1 3.29Å; Q265-I269 WeakPolarHBondContact O-CG1 3.4Å; Q265-I269 PolarHBondContact O-N 3.36Å; Q265-G299 PolarHBondContact NE2-O 2.83Å; Q265-K300 VanDerWaalsContact OE1-CA 3.25Å; Q265-V301 HydrophobicContact CB-CB 4.1Å; Q265-V301 HydrophobicContact CB-CG2 3.8Å; Q265-V301 HydrophobicContact CG-CG2 4.48Å
266	L	98.8	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-39.7	174.5	-70.3	165.7	0	0	0	112.1	L248 L262 A263 R264 I269 A270 F292 V301 V362 L366 L367 L380	L248-L266 HydrophobicContact CD2-CD1 3.86Å; L248-L266 HydrophobicContact CD2-CD2 4.32Å; L262-L266 WeakPolarHBondContact O-CG 3.44Å; L262-L266 PolarHBondContact O-N 3.48Å; A263-L266 PolarHBondContact O-N 3.31Å; R264-L266 VanDerWaalsContact C-N 3.28Å; R264-L266 PolarHBondContact O-N 2.93Å; L266-I269 PolarHBondContact O-N 3.46Å; L266-A270 WeakPolarHBondContact O-CB 3.36Å; L266-A270 PolarHBondContact O-N 3.21Å; L266-F292 HydrophobicContact CD2-CD1 3.68Å; L266-F292 HydrophobicContact CD2-CD2 4.4Å; L266-F292 HydrophobicContact CD2-CE1 3.73Å; L266-F292 HydrophobicContact CD2-CE2 4.49Å; L266-F292 HydrophobicContact CD2-CG 4.03Å; L266-F292 HydrophobicContact CD2-CZ 4.16Å; L266-V301 HydrophobicContact CD2-CG1 3.83Å; L266-V301 HydrophobicContact CG-CG1 4.42Å; L266-V362 HydrophobicContact CB-CG1 3.8Å; L266-L366 HydrophobicContact CD1-CB 4.27Å; L266-L366 HydrophobicContact CD1-CD1 3.94Å; L266-L366 HydrophobicContact CD2-CD1 3.83Å; L266-L366 HydrophobicContact CG-CD1 4.44Å; L266-L367 HydrophobicContact CD1-CD2 4.03Å; L266-L380 HydrophobicContact CD1-CD1 3.55Å
267	M	98.6	Very high	97.7	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-36.1	173.5	-65.5	-57.1	-65	0	0	112.3	A263 R264 Q265 A270 E271 Y359 V362 L367 A414 L417 R418 L421	A263-M267 PolarHBondContact O-N 3.09Å; A263-M267 VanDerWaalsContact O-N 3.12Å; R264-M267 WeakPolarHBondContact O-CB 3.49Å; R264-M267 PolarHBondContact O-N 3.3Å; R264-M267 VanDerWaalsContact O-N 3.09Å; Q265-M267 VanDerWaalsContact C-N 3.35Å; M267-A270 PolarHBondContact O-N 2.94Å; M267-E271 PolarHBondContact O-N 3.38Å; M267-Y359 HydrophobicContact CE-CD1 4.29Å; M267-V362 HydrophobicContact SD-CB 4.46Å; M267-V362 HydrophobicContact SD-CG1 3.76Å; M267-L367 HydrophobicContact CG-CD1 3.91Å; M267-L367 HydrophobicContact SD-CD1 3.68Å; M267-A414 HydrophobicContact CE-CB 3.69Å; M267-L417 HydrophobicContact CE-CD2 4.4Å; M267-L417 HydrophobicContact SD-CD2 4.38Å; M267-R418 HydrophobicContact CB-CB 4.15Å; M267-R418 HydrophobicContact CB-CG 4.16Å; M267-L421 HydrophobicContact CG-CD1 4.29Å
268	D	98.5	Very high	97.8	Very high	58 Å²	58	34.1 Å²	34.1	31%	0.31	17%	0.167	S	C	.	.	H	α-helix	trans	-62.5	-43.5	172.9	-68.4	-36	0	0	0	111.3	R264 Q265 E271 Q272 R418	R264-D268 IonicContact NE-OD2 2.69Å; R264-D268 PolarHBondContact O-N 3.05Å; Q265-D268 WeakPolarHBondContact O-CB 3.27Å; Q265-D268 PolarHBondContact O-N 3.02Å; D268-E271 PolarHBondContact O-N 2.71Å; D268-Q272 WeakPolarHBondContact O-CB 3.04Å; D268-Q272 PolarHBondContact O-N 3.11Å; D268-R418 VanDerWaalsContact OD1-CD 3.27Å; D268-R418 WeakPolarHBondContact OD1-CD 3.46Å; D268-R418 IonicContact OD1-NH1 2.73Å
269	I	98.7	Very high	97.8	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.046	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-45.8	174.1	-71	167.4	0	0	0	110.4	P227 Q265 L266 E271 Q272 L273 V301 I303	P227-I269 HydrophobicContact CB-CD1 4.23Å; P227-I269 HydrophobicContact CB-CG1 3.91Å; P227-I269 HydrophobicContact CB-CG2 4.49Å; P227-I269 HydrophobicContact CG-CG1 4.2Å; P227-I269 HydrophobicContact CG-CG2 3.99Å; Q265-I269 VanDerWaalsContact O-CG1 3.29Å; Q265-I269 WeakPolarHBondContact O-CG1 3.4Å; Q265-I269 PolarHBondContact O-N 3.36Å; L266-I269 PolarHBondContact O-N 3.46Å; I269-E271 VanDerWaalsContact C-N 3.31Å; I269-E271 PolarHBondContact O-N 2.8Å; I269-Q272 PolarHBondContact O-N 3.38Å; I269-L273 HydrophobicContact CG2-CD1 3.91Å; I269-L273 HydrophobicContact CG2-CG 4.1Å; I269-L273 WeakPolarHBondContact O-CB 3.41Å; I269-L273 VanDerWaalsContact O-CG 3.31Å; I269-L273 WeakPolarHBondContact O-CG 3.38Å; I269-L273 PolarHBondContact O-N 3.16Å; I269-V301 HydrophobicContact CD1-CB 3.98Å; I269-V301 HydrophobicContact CD1-CG1 3.79Å; I269-I303 HydrophobicContact CG2-CD1 3.91Å; I269-I303 HydrophobicContact CG2-CG1 4.45Å
270	A	98.6	Very high	97.9	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-42.2	178.2	0	0	0	0	0	112.1	L266 M267 T274 N358 Y359 V362	L266-A270 WeakPolarHBondContact O-CB 3.36Å; L266-A270 PolarHBondContact O-N 3.21Å; M267-A270 PolarHBondContact O-N 2.94Å; A270-T274 VanDerWaalsContact O-CB 3.3Å; A270-T274 WeakPolarHBondContact O-CB 3.48Å; A270-T274 PolarHBondContact O-N 3.48Å; A270-T274 PolarHBondContact O-OG1 3.29Å; A270-N358 HydrophobicContact CB-CB 4.05Å; A270-Y359 HydrophobicContact CB-CD1 3.77Å; A270-Y359 HydrophobicContact CB-CE1 4.12Å; A270-V362 HydrophobicContact CB-CG2 4.08Å
271	E	98.2	Very high	97.9	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-53	173.1	179.5	75.2	-131.1	0	0	110.6	M267 D268 I269 L273 T274 N275 Y359 R418	M267-E271 PolarHBondContact O-N 3.38Å; D268-E271 PolarHBondContact O-N 2.71Å; I269-E271 VanDerWaalsContact C-N 3.31Å; I269-E271 PolarHBondContact O-N 2.8Å; E271-L273 VanDerWaalsContact C-N 3.31Å; E271-L273 PolarHBondContact O-N 2.78Å; E271-T274 CarbonylContact O-C 3.56Å; E271-T274 PolarHBondContact O-N 3.32Å; E271-N275 PolarHBondContact O-N 3.3Å; E271-N275 WeakPolarHBondContact OE1-CB 3.3Å; E271-N275 PolarHBondContact OE1-ND2 3.34Å; E271-Y359 HydrophobicContact CB-CE1 4.2Å; E271-Y359 PolarHBondContact OE1-OH 3.37Å; E271-Y359 PolarHBondContact OE2-OH 3.24Å; E271-R418 IonicContact OE2-CZ 3.03Å; E271-R418 IonicContact OE2-NH2 3.2Å; E271-R418 PolarHBondContact OE2-NH2 2.92Å
272	Q	98.1	Very high	98	Very high	65 Å²	65	31.5 Å²	31.5	30%	0.304	16%	0.157	S	C	.	.	H	α-helix	trans	-58	-42.8	-176.2	-175.8	-176.4	11.4	0	0	112.5	G225 D268 I269 T274 N276	G225-Q272 PolarHBondContact O-NE2 3.17Å; D268-Q272 WeakPolarHBondContact O-CB 3.04Å; D268-Q272 PolarHBondContact O-N 3.11Å; I269-Q272 PolarHBondContact O-N 3.38Å; Q272-T274 VanDerWaalsContact C-N 3.29Å; Q272-T274 PolarHBondContact O-N 2.59Å; Q272-N276 WeakPolarHBondContact O-CB 3.34Å; Q272-N276 PolarHBondContact O-ND2 3.1Å
273	L	98.6	Very high	98	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-70.1	-28.3	178.1	-66.7	-174	0	0	0	112.4	W226 P227 F228 I269 E271 A281 L282 L284 I303 N358	W226-L273 HydrophobicContact CE3-CD2 4Å; W226-L273 HydrophobicContact CZ3-CD2 4.02Å; P227-L273 HydrophobicContact CG-CD2 4.02Å; P227-L273 HydrophobicContact CG-CG 4.48Å; F228-L273 HydrophobicContact CE2-CD2 4.17Å; F228-L273 HydrophobicContact CZ-CD2 4.06Å; I269-L273 HydrophobicContact CG2-CD1 3.91Å; I269-L273 HydrophobicContact CG2-CG 4.1Å; I269-L273 WeakPolarHBondContact O-CB 3.41Å; I269-L273 VanDerWaalsContact O-CG 3.31Å; I269-L273 WeakPolarHBondContact O-CG 3.38Å; I269-L273 PolarHBondContact O-N 3.16Å; E271-L273 VanDerWaalsContact C-N 3.31Å; E271-L273 PolarHBondContact O-N 2.78Å; L273-A281 CarbonylContact O-C 3.57Å; L273-A281 WeakPolarHBondContact O-CA 3.06Å; L273-L282 HydrophobicContact CB-CB 4.35Å; L273-L282 WeakPolarHBondContact CB-O 3.41Å; L273-L282 HydrophobicContact CD2-CB 4.07Å; L273-L282 HydrophobicContact CD2-CD2 4.24Å; L273-L282 PolarHBondContact O-N 3.33Å; L273-L284 HydrophobicContact CD1-CD1 3.91Å; L273-L284 HydrophobicContact CD1-CD2 4.03Å; L273-L284 HydrophobicContact CD1-CG 3.85Å; L273-I303 HydrophobicContact CD1-CD1 3.76Å; L273-N358 WeakPolarHBondContact CB-ND2 3.45Å
274	T	98.1	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-83.3	-44.1	179	-55.6	0	0	0	0	111.8	A270 E271 Q272 K314 V355 N358 Y359	A270-T274 VanDerWaalsContact O-CB 3.3Å; A270-T274 WeakPolarHBondContact O-CB 3.48Å; A270-T274 PolarHBondContact O-N 3.48Å; A270-T274 PolarHBondContact O-OG1 3.29Å; E271-T274 CarbonylContact O-C 3.56Å; E271-T274 PolarHBondContact O-N 3.32Å; Q272-T274 VanDerWaalsContact C-N 3.29Å; Q272-T274 PolarHBondContact O-N 2.59Å; T274-K314 WeakPolarHBondContact O-CE 3.42Å; T274-K314 PolarHBondContact O-NZ 2.55Å; T274-V355 WeakPolarHBondContact CG2-O 3.4Å; T274-N358 WeakPolarHBondContact OG1-CB 3.38Å; T274-N358 PolarHBondContact OG1-ND2 2.78Å; T274-N358 VanDerWaalsContact OG1-ND2 3.08Å; T274-Y359 HydrophobicContact CG2-CE2 4.36Å
275	N	96.9	Very high	97.8	Very high	72 Å²	72	30.7 Å²	30.7	39%	0.385	16%	0.156	S	C	.	.	S	Bend	trans	-135.6	117.8	-173.3	-58.5	-48.2	0	0	0	109.5	E271 K314 Y359	E271-N275 PolarHBondContact O-N 3.3Å; E271-N275 WeakPolarHBondContact OE1-CB 3.3Å; E271-N275 PolarHBondContact OE1-ND2 3.34Å; N275-K314 PolarHBondContact OD1-NZ 2.89Å; N275-Y359 PolarHBondContact ND2-OH 2.69Å
276	N	96.8	Very high	97.5	Very high	31 Å²	31	32.3 Å²	32.3	17%	0.166	17%	0.166	C	C	.	.			trans	-153.6	168.2	-180	53.8	77.9	0	0	0	110.3	W226 Q272 F278 D279 F280	W226-N276 WeakPolarHBondContact CH2-ND2 3.33Å; Q272-N276 WeakPolarHBondContact O-CB 3.34Å; Q272-N276 PolarHBondContact O-ND2 3.1Å; N276-F278 PolarHBondContact O-N 2.9Å; N276-F278 VanDerWaalsContact O-N 3.17Å; N276-F278 WeakPolarHBondContact OD1-CA 3.37Å; N276-F278 WeakPolarHBondContact OD1-CB 3.31Å; N276-F278 PolarHBondContact OD1-N 3.26Å; N276-D279 PolarHBondContact O-N 3.04Å; N276-D279 VanDerWaalsContact O-N 3.15Å; N276-D279 PolarHBondContact OD1-N 2.78Å; N276-F280 PolarHBondContact ND2-O 3.02Å
277	D	95.5	Very high	97.3	Very high	170 Å²	170	32.4 Å²	32.4	91%	0.909	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.3	-177.2	-59.3	-26.3	0	0	0	113.6
278	F	96.2	Very high	97	Very high	75 Å²	75	32.5 Å²	32.5	33%	0.329	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.1	176.8	-63.2	-84.4	0	0	0	113.2	R173 E224 W226 N276 F280	R173-F278 PolarHBondContact NH1-O 3Å; R173-F278 PolarHBondContact NH2-O 3.06Å; R173-F278 VanDerWaalsContact NH2-O 3.12Å; E224-F278 HydrophobicContact CB-CZ 4.41Å; W226-F278 HydrophobicContact CZ2-CB 4.17Å; W226-F278 AromaticContact CZ2-CD2 3.61Å; W226-F278 HydrophobicContact CZ2-CD2 3.61Å; W226-F278 HydrophobicContact CZ2-CE2 4.3Å; W226-F278 HydrophobicContact CZ2-CG 4.11Å; W226-F278 AromaticContact NE1-CE2 3.84Å; N276-F278 PolarHBondContact O-N 2.9Å; N276-F278 VanDerWaalsContact O-N 3.17Å; N276-F278 WeakPolarHBondContact OD1-CA 3.37Å; N276-F278 WeakPolarHBondContact OD1-CB 3.31Å; N276-F278 PolarHBondContact OD1-N 3.26Å; F278-F280 HydrophobicContact CB-CD2 4.09Å; F278-F280 PolarHBondContact O-N 2.89Å; F278-F280 VanDerWaalsContact O-N 3.1Å
279	D	96.9	Very high	96.7	Very high	55 Å²	55	29.9 Å²	29.9	29%	0.294	15%	0.153	S	C	.	.			trans	52.5	29.6	-175.7	-88.7	-50.4	0	0	0	112.7	R173 N276 K314 R315 K318	R173-D279 PolarHBondContact NH2-O 3.46Å; N276-D279 PolarHBondContact O-N 3.04Å; N276-D279 VanDerWaalsContact O-N 3.15Å; N276-D279 PolarHBondContact OD1-N 2.78Å; D279-K314 HydrophobicContact CB-CB 4.38Å; D279-K314 WeakPolarHBondContact O-CB 3.42Å; D279-K314 PolarHBondContact O-N 3.22Å; D279-R315 HydrophobicContact CB-CB 4.04Å; D279-K318 IonicContact OD1-NZ 3.51Å; D279-K318 PolarHBondContact OD1-NZ 3.01Å; D279-K318 IonicContact OD2-NZ 3.02Å
280	F	98.2	Very high	96.3	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.9	168.8	-77.1	-61.6	0	0	0	108.8	R173 L174 F220 N276 F278 L282 V311 A312 D313	R173-F280 HydrophobicContact CB-CZ 4.4Å; R173-F280 HydrophobicContact CG-CZ 3.94Å; R173-F280 VanDerWaalsContact NH1-CZ 3.31Å; L174-F280 HydrophobicContact CB-CE1 3.95Å; L174-F280 HydrophobicContact CB-CZ 4.28Å; L174-F280 HydrophobicContact CD1-CE1 4.28Å; L174-F280 HydrophobicContact CD1-CZ 4.48Å; F220-F280 HydrophobicContact CE1-CB 4.21Å; F220-F280 AromaticContact CE1-CD2 3.83Å; F220-F280 HydrophobicContact CE1-CD2 3.83Å; F220-F280 HydrophobicContact CE1-CE2 4.39Å; F220-F280 HydrophobicContact CE1-CG 4.14Å; F220-F280 HydrophobicContact CZ-CD2 4.34Å; F220-F280 HydrophobicContact CZ-CG 4.39Å; N276-F280 PolarHBondContact ND2-O 3.02Å; F278-F280 HydrophobicContact CB-CD2 4.09Å; F278-F280 PolarHBondContact O-N 2.89Å; F278-F280 VanDerWaalsContact O-N 3.1Å; F280-L282 HydrophobicContact CB-CD1 3.8Å; F280-V311 HydrophobicContact CB-CG1 4.38Å; F280-V311 HydrophobicContact CD1-CG1 3.92Å; F280-V311 HydrophobicContact CG-CG1 4.42Å; F280-A312 WeakPolarHBondContact CA-O 3.15Å; F280-D313 HydrophobicContact CD1-CB 4.21Å; F280-D313 HydrophobicContact CE1-CB 4.03Å
281	A	98.5	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.7	168.9	0	0	0	0	0	108.9	L273 Y283 V311 A312 K314	L273-A281 CarbonylContact O-C 3.57Å; L273-A281 WeakPolarHBondContact O-CA 3.06Å; A281-Y283 HydrophobicContact CB-CD2 4.33Å; A281-Y283 HydrophobicContact CB-CE1 4.04Å; A281-Y283 HydrophobicContact CB-CE2 3.61Å; A281-Y283 VanDerWaalsContact CB-CZ 3.44Å; A281-Y283 WeakPolarHBondContact CB-OH 3.28Å; A281-V311 CarbonylContact O-C 3.5Å; A281-V311 WeakPolarHBondContact O-CA 3.37Å; A281-A312 HydrophobicContact CB-CB 4.27Å; A281-A312 PolarHBondContact N-O 2.75Å; A281-A312 PolarHBondContact O-N 2.74Å; A281-K314 HydrophobicContact CB-CD 4.41Å; A281-K314 HydrophobicContact CB-CG 4.2Å
282	L	98.7	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	104.1	176.1	-75.7	68.6	0	0	0	107.4	F220 W226 F228 L273 F280 V309 L310 V311 N358	F220-L282 HydrophobicContact CB-CD2 4.19Å; F220-L282 HydrophobicContact CD1-CD1 4.33Å; F220-L282 HydrophobicContact CD1-CD2 4.1Å; F220-L282 HydrophobicContact CD2-CD2 3.83Å; F220-L282 HydrophobicContact CE1-CD1 4.05Å; F220-L282 HydrophobicContact CE1-CD2 4.46Å; F220-L282 HydrophobicContact CE2-CD2 4.22Å; F220-L282 HydrophobicContact CG-CD2 3.76Å; F220-L282 HydrophobicContact CZ-CD1 4.25Å; W226-L282 HydrophobicContact CE3-CD2 3.99Å; W226-L282 HydrophobicContact CH2-CD1 3.55Å; W226-L282 HydrophobicContact CH2-CD2 4.42Å; W226-L282 HydrophobicContact CZ3-CD1 3.56Å; W226-L282 HydrophobicContact CZ3-CD2 3.77Å; W226-L282 HydrophobicContact CZ3-CG 4.21Å; F228-L282 HydrophobicContact CE2-CD2 3.59Å; F228-L282 HydrophobicContact CZ-CD2 3.78Å; L273-L282 HydrophobicContact CB-CB 4.35Å; L273-L282 WeakPolarHBondContact CB-O 3.41Å; L273-L282 HydrophobicContact CD2-CB 4.07Å; L273-L282 HydrophobicContact CD2-CD2 4.24Å; L273-L282 PolarHBondContact O-N 3.33Å; F280-L282 HydrophobicContact CB-CD1 3.8Å; L282-V309 HydrophobicContact CB-CG1 3.97Å; L282-V309 HydrophobicContact CD2-CG1 4.47Å; L282-V309 HydrophobicContact CG-CG1 4.28Å; L282-L310 CarbonylContact C-O 3.29Å; L282-L310 WeakPolarHBondContact CA-O 3.03Å; L282-V311 HydrophobicContact CD1-CG1 4.33Å; L282-V311 HydrophobicContact CG-CG2 4.13Å; L282-N358 PolarHBondContact O-ND2 3.16Å; L282-N358 PolarHBondContact O-OD1 3.32Å
283	Y	98.6	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.7	-178.7	-59.3	-64.6	0	0	0	110.3	A281 L285 V309 L310 A312 L349 V355 H357 N358	A281-Y283 HydrophobicContact CB-CD2 4.33Å; A281-Y283 HydrophobicContact CB-CE1 4.04Å; A281-Y283 HydrophobicContact CB-CE2 3.61Å; A281-Y283 VanDerWaalsContact CB-CZ 3.44Å; A281-Y283 WeakPolarHBondContact CB-OH 3.28Å; Y283-L285 PolarHBondContact O-N 3.04Å; Y283-V309 WeakPolarHBondContact O-CA 3.31Å; Y283-L310 HydrophobicContact CD2-CD2 3.71Å; Y283-L310 HydrophobicContact CE2-CD2 4.39Å; Y283-L310 PolarHBondContact N-O 2.79Å; Y283-L310 PolarHBondContact O-N 3.34Å; Y283-A312 HydrophobicContact CD2-CB 4.49Å; Y283-A312 HydrophobicContact CE2-CB 3.84Å; Y283-L349 HydrophobicContact CD1-CD2 4.4Å; Y283-L349 HydrophobicContact CD2-CB 3.79Å; Y283-L349 HydrophobicContact CD2-CD1 4.1Å; Y283-L349 HydrophobicContact CD2-CD2 4.37Å; Y283-L349 HydrophobicContact CD2-CG 4.29Å; Y283-L349 HydrophobicContact CE1-CD2 4.49Å; Y283-L349 HydrophobicContact CE2-CB 3.8Å; Y283-L349 HydrophobicContact CE2-CD2 4.42Å; Y283-L349 WeakPolarHBondContact CE2-O 3.48Å; Y283-L349 HydrophobicContact CG-CB 4.49Å; Y283-L349 HydrophobicContact CG-CD1 4.07Å; Y283-L349 HydrophobicContact CG-CD2 4.32Å; Y283-V355 HydrophobicContact CD1-CG1 4.39Å; Y283-V355 HydrophobicContact CE1-CB 3.98Å; Y283-V355 HydrophobicContact CE1-CG1 3.58Å; Y283-V355 VanDerWaalsContact OH-CB 3.3Å; Y283-V355 WeakPolarHBondContact OH-CB 3.47Å; Y283-V355 WeakPolarHBondContact OH-CG2 3.48Å; Y283-H357 HydrophobicContact CD1-CB 3.87Å; Y283-H357 HydrophobicContact CE1-CB 4.32Å; Y283-N358 WeakPolarHBondContact CA-OD1 3.5Å
284	L	97.3	Very high	95.8	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.063	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.3	173.5	-55.8	-177.9	0	0	0	108.5	L273 V287 F292 I303 V309 H357 N358	L273-L284 HydrophobicContact CD1-CD1 3.91Å; L273-L284 HydrophobicContact CD1-CD2 4.03Å; L273-L284 HydrophobicContact CD1-CG 3.85Å; L284-V287 HydrophobicContact CB-CG2 3.41Å; L284-V287 VanDerWaalsContact CB-CG2 3.41Å; L284-V287 HydrophobicContact CD1-CG2 4.07Å; L284-V287 HydrophobicContact CG-CG2 4.39Å; L284-F292 HydrophobicContact CD1-CE1 4.46Å; L284-F292 HydrophobicContact CD1-CZ 3.92Å; L284-I303 HydrophobicContact CD1-CD1 4.11Å; L284-I303 HydrophobicContact CD2-CD1 4.36Å; L284-V309 HydrophobicContact CD2-CG2 3.79Å; L284-H357 PolarHBondContact O-NE2 2.88Å; L284-N358 PolarHBondContact N-OD1 3.19Å; L284-N358 VanDerWaalsContact N-OD1 3.09Å
285	L	95.7	Very high	95.6	Very high	17 Å²	17	26.6 Å²	26.6	9%	0.089	14%	0.141	C	C	.	.	S	Bend	trans	-89.2	-18	-175.6	-55.2	-167.6	0	0	0	113.2	D165 Y283 N308 L310 F344 K346 L349	D165-L285 HydrophobicContact CB-CD1 4.18Å; Y283-L285 PolarHBondContact O-N 3.04Å; L285-N308 HydrophobicContact CB-CB 4.21Å; L285-N308 WeakPolarHBondContact CB-O 3.27Å; L285-N308 PolarHBondContact N-O 2.81Å; L285-L310 HydrophobicContact CD1-CB 3.99Å; L285-L310 HydrophobicContact CD1-CD1 4.49Å; L285-L310 HydrophobicContact CD2-CB 4.04Å; L285-L310 HydrophobicContact CG-CB 4.11Å; L285-F344 HydrophobicContact CB-CE2 4.4Å; L285-F344 HydrophobicContact CB-CZ 3.83Å; L285-F344 HydrophobicContact CD1-CE2 4.08Å; L285-F344 HydrophobicContact CD1-CZ 4.24Å; L285-F344 HydrophobicContact CD2-CD2 4.21Å; L285-F344 HydrophobicContact CD2-CE2 3.63Å; L285-F344 HydrophobicContact CD2-CZ 3.84Å; L285-F344 HydrophobicContact CG-CE2 4.26Å; L285-F344 HydrophobicContact CG-CZ 4.19Å; L285-K346 HydrophobicContact CD1-CD 4.43Å; L285-L349 HydrophobicContact CD2-CD1 3.76Å
286	D	91.9	Very high	95.3	Very high	58 Å²	58	28.4 Å²	28.4	31%	0.31	16%	0.156	S	C	.	.	S	Bend	trans	-126.3	124.1	168.7	-172.7	9.6	0	0	0	107.3	N308 A340	D286-N308 HydrophobicContact CB-CB 4.1Å; D286-A340 VanDerWaalsContact OD1-CB 3.29Å; D286-A340 WeakPolarHBondContact OD1-CB 3.12Å
287	V	94.1	Very high	94.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.193	C	C	.	.			trans	-136.2	113.3	-176.2	175.5	0	0	0	0	108.2	L284 F292 L342 A361 N365 L366	L284-V287 HydrophobicContact CB-CG2 3.41Å; L284-V287 VanDerWaalsContact CB-CG2 3.41Å; L284-V287 HydrophobicContact CD1-CG2 4.07Å; L284-V287 HydrophobicContact CG-CG2 4.39Å; V287-F292 HydrophobicContact CG1-CE2 4.01Å; V287-F292 HydrophobicContact CG1-CZ 4.33Å; V287-L342 HydrophobicContact CB-CD1 4.39Å; V287-L342 HydrophobicContact CG2-CD1 4.39Å; V287-A361 HydrophobicContact CB-CB 4.12Å; V287-A361 HydrophobicContact CG2-CB 3.69Å; V287-N365 HydrophobicContact CG1-CB 4.36Å; V287-N365 WeakPolarHBondContact O-CB 3.34Å; V287-N365 PolarHBondContact O-ND2 3.21Å; V287-L366 HydrophobicContact CG1-CD1 3.72Å; V287-L366 HydrophobicContact CG1-CD2 4.4Å; V287-L366 HydrophobicContact CG1-CG 3.88Å
288	S	92.6	Very high	94.5	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	18%	0.175	C	C	.	.			trans	-147.5	173.8	178.7	105.5	0	0	0	0	111	D290 N291 F292 W373	S288-D290 VanDerWaalsContact C-N 3.25Å; S288-D290 PolarHBondContact O-N 3.45Å; S288-D290 PolarHBondContact OG-N 3.46Å; S288-D290 PolarHBondContact OG-OD1 3.03Å; S288-N291 PolarHBondContact N-OD1 3.34Å; S288-N291 PolarHBondContact O-N 2.77Å; S288-N291 PolarHBondContact O-OD1 2.89Å; S288-F292 VanDerWaalsContact O-CD2 3.29Å; S288-F292 WeakPolarHBondContact O-CD2 3.43Å; S288-W373 WeakPolarHBondContact OG-CH2 3.34Å; S288-W373 WeakPolarHBondContact OG-CZ3 3.45Å
289	F	92.8	Very high	94.4	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.013	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.7	-25	-178.5	-74.3	-94.8	0	0	0	113.9	L248 W249 Y252 N291 L366 W373 L380	L248-F289 HydrophobicContact CB-CD1 4.13Å; L248-F289 WeakPolarHBondContact CB-O 3.49Å; L248-F289 HydrophobicContact CD2-CD1 3.88Å; L248-F289 HydrophobicContact CD2-CE1 4.31Å; L248-F289 HydrophobicContact CG-CD1 3.87Å; L248-F289 HydrophobicContact CG-CE1 4.39Å; L248-F289 PolarHBondContact N-O 3.01Å; W249-F289 HydrophobicContact CB-CB 3.92Å; W249-F289 HydrophobicContact CB-CG 4.49Å; W249-F289 HydrophobicContact CE3-CB 4.47Å; W249-F289 HydrophobicContact CE3-CD1 4.11Å; W249-F289 HydrophobicContact CE3-CD2 4.26Å; W249-F289 HydrophobicContact CE3-CE1 4.4Å; W249-F289 HydrophobicContact CE3-CG 4.03Å; Y252-F289 HydrophobicContact CD2-CE1 4.23Å; Y252-F289 HydrophobicContact CD2-CZ 4.13Å; Y252-F289 HydrophobicContact CE2-CZ 4.45Å; F289-N291 VanDerWaalsContact C-N 3.34Å; F289-L366 HydrophobicContact CD2-CD2 4.04Å; F289-L366 HydrophobicContact CE2-CD2 4.2Å; F289-L366 HydrophobicContact CG-CD2 4.2Å; F289-W373 HydrophobicContact CB-CD2 4.35Å; F289-W373 HydrophobicContact CB-CG 4.4Å; F289-W373 HydrophobicContact CD2-CB 3.75Å; F289-W373 HydrophobicContact CD2-CD2 4.18Å; F289-W373 AromaticContact CD2-CG 3.75Å; F289-W373 HydrophobicContact CD2-CG 3.75Å; F289-W373 HydrophobicContact CE2-CB 4.03Å; F289-W373 HydrophobicContact CE2-CG 4.49Å; F289-W373 HydrophobicContact CG-CG 4.39Å; F289-L380 HydrophobicContact CE1-CD2 3.83Å; F289-L380 HydrophobicContact CE1-CG 3.82Å; F289-L380 HydrophobicContact CZ-CG 4.38Å
290	D	90.2	Very high	94.4	Very high	35 Å²	35	35.3 Å²	35.3	19%	0.187	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78	-19.3	-179.7	76	-19.4	0	0	0	113.1	K89 S288 F292 W373	K89-D290 IonicContact NZ-OD2 2.74Å; K89-D290 PolarHBondContact NZ-OD2 3.18Å; S288-D290 VanDerWaalsContact C-N 3.25Å; S288-D290 PolarHBondContact O-N 3.45Å; S288-D290 PolarHBondContact OG-N 3.46Å; S288-D290 PolarHBondContact OG-OD1 3.03Å; D290-F292 PolarHBondContact O-N 2.93Å; D290-W373 HydrophobicContact CB-CH2 4.26Å; D290-W373 HydrophobicContact CB-CZ2 4.01Å
291	N	93.6	Very high	94.4	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.032	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-76.3	-12.5	-179.1	-50	128.3	0	0	0	112.9	S288 F289 I303 V304 D305	S288-N291 PolarHBondContact N-OD1 3.34Å; S288-N291 PolarHBondContact O-N 2.77Å; S288-N291 PolarHBondContact O-OD1 2.89Å; F289-N291 VanDerWaalsContact C-N 3.34Å; N291-I303 CarbonylContact O-C 3.6Å; N291-I303 WeakPolarHBondContact O-CA 3.4Å; N291-V304 WeakPolarHBondContact O-CG2 3.12Å; N291-V304 PolarHBondContact O-N 3.31Å; N291-D305 HydrophobicContact CB-CB 4.04Å; N291-D305 WeakPolarHBondContact ND2-CB 3.38Å; N291-D305 PolarHBondContact ND2-OD2 3.34Å; N291-D305 PolarHBondContact O-N 3.16Å
292	F	96.7	Very high	94.3	Very high	2 Å²	2	37 Å²	37	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.9	-176.8	-57	-94.5	0	0	0	111.2	E247 L248 L266 L284 V287 S288 D290 V301 I302 I303 L366	E247-F292 CarbonylContact C-O 3.27Å; E247-F292 WeakPolarHBondContact CA-O 3.42Å; L248-F292 HydrophobicContact CB-CB 4.05Å; L248-F292 HydrophobicContact CD2-CB 4.2Å; L248-F292 HydrophobicContact CD2-CD2 4.44Å; L248-F292 PolarHBondContact N-O 2.76Å; L266-F292 HydrophobicContact CD2-CD1 3.68Å; L266-F292 HydrophobicContact CD2-CD2 4.4Å; L266-F292 HydrophobicContact CD2-CE1 3.73Å; L266-F292 HydrophobicContact CD2-CE2 4.49Å; L266-F292 HydrophobicContact CD2-CG 4.03Å; L266-F292 HydrophobicContact CD2-CZ 4.16Å; L284-F292 HydrophobicContact CD1-CE1 4.46Å; L284-F292 HydrophobicContact CD1-CZ 3.92Å; V287-F292 HydrophobicContact CG1-CE2 4.01Å; V287-F292 HydrophobicContact CG1-CZ 4.33Å; S288-F292 VanDerWaalsContact O-CD2 3.29Å; S288-F292 WeakPolarHBondContact O-CD2 3.43Å; D290-F292 PolarHBondContact O-N 2.93Å; F292-V301 HydrophobicContact CB-CG1 4.09Å; F292-V301 HydrophobicContact CD1-CG1 3.86Å; F292-V301 HydrophobicContact CG-CG1 4.36Å; F292-I302 WeakPolarHBondContact CA-O 3.31Å; F292-I303 HydrophobicContact CD1-CG1 3.85Å; F292-I303 HydrophobicContact CE1-CD1 4.33Å; F292-I303 HydrophobicContact CE1-CG1 3.58Å; F292-I303 HydrophobicContact CZ-CG1 4.47Å; F292-L366 HydrophobicContact CD2-CD1 4.11Å; F292-L366 HydrophobicContact CE2-CD1 3.65Å; F292-L366 HydrophobicContact CZ-CD1 4.11Å
293	A	96.4	Very high	94.3	Very high	4 Å²	4	37 Å²	37	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.2	171.9	0	0	0	0	0	111.3	V244 E246 V301 I302 V304	V244-A293 HydrophobicContact CB-CB 3.95Å; V244-A293 HydrophobicContact CG1-CB 3.89Å; E246-A293 CarbonylContact O-C 3.52Å; E246-A293 WeakPolarHBondContact O-CA 3.09Å; E246-A293 WeakPolarHBondContact O-CB 3.37Å; A293-V301 WeakPolarHBondContact O-CA 3.42Å; A293-I302 PolarHBondContact N-O 3.06Å; A293-I302 PolarHBondContact O-N 3.44Å; A293-V304 HydrophobicContact CB-CG1 3.57Å; A293-V304 HydrophobicContact CB-CG2 4.24Å
294	V	96.3	Very high	94.1	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121	-177.3	-174.2	0	0	0	0	110.2	G245 E246 L248 F251 L262 K300 V301	G245-V294 WeakPolarHBondContact CA-O 3.39Å; E246-V294 PolarHBondContact O-N 3.19Å; L248-V294 HydrophobicContact CD1-CG2 4.1Å; F251-V294 HydrophobicContact CD2-CB 4.23Å; F251-V294 HydrophobicContact CD2-CG2 3.67Å; F251-V294 HydrophobicContact CE2-CB 3.52Å; F251-V294 HydrophobicContact CE2-CG1 4.29Å; F251-V294 HydrophobicContact CE2-CG2 3.48Å; F251-V294 VanDerWaalsContact CE2-CG2 3.48Å; F251-V294 HydrophobicContact CG-CG2 4.45Å; F251-V294 HydrophobicContact CZ-CB 3.76Å; F251-V294 HydrophobicContact CZ-CG1 4.08Å; F251-V294 HydrophobicContact CZ-CG2 4.12Å; L262-V294 HydrophobicContact CD1-CG2 4.33Å; L262-V294 HydrophobicContact CD2-CB 4.44Å; L262-V294 HydrophobicContact CD2-CG1 3.83Å; L262-V294 HydrophobicContact CD2-CG2 3.67Å; V294-K300 CarbonylContact C-O 3.58Å; V294-K300 WeakPolarHBondContact CA-O 3.34Å; V294-V301 HydrophobicContact CG2-CG2 4.46Å
295	G	94.3	Very high	93.9	Very high	6 Å²	6	38.8 Å²	38.8	6%	0.062	20%	0.196	C	C	.	.			trans	-59.7	125.6	176.1	0	0	0	0	0	111.5	R297 D298 G299 K300	G295-R297 PolarHBondContact O-N 3.25Å; G295-D298 WeakPolarHBondContact CA-OD1 3.18Å; G295-G299 WeakPolarHBondContact O-CA 3.45Å; G295-G299 PolarHBondContact O-N 2.79Å; G295-K300 PolarHBondContact N-O 2.97Å
296	P	90.2	Very high	93.9	Very high	109 Å²	109	38 Å²	38	71%	0.708	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.5	-172	27.3	-35.6	0	0	0	113.7	V244	V244-P296 WeakPolarHBondContact O-CD 3.49Å
297	R	86.9	Confident	93.8	Very high	246 Å²	246	37.2 Å²	37.2	93%	0.928	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-45	-177.4	-62	-171.3	-134.5	-172.5	3.6	113	G295	G295-R297 PolarHBondContact O-N 3.25Å
298	D	89	Confident	93.8	Very high	100 Å²	100	40.1 Å²	40.1	54%	0.535	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-8.5	-175.7	58.9	-2.4	0	0	0	112.6	G295 K300	G295-D298 WeakPolarHBondContact CA-OD1 3.18Å; D298-K300 HydrophobicContact CB-CD 4.44Å; D298-K300 HydrophobicContact CB-CG 4.04Å; D298-K300 PolarHBondContact O-N 2.95Å; D298-K300 PolarHBondContact OD1-N 3Å; D298-K300 WeakPolarHBondContact OD2-CD 3.16Å; D298-K300 WeakPolarHBondContact OD2-CG 3.37Å
299	G	93.4	Very high	94.1	Very high	14 Å²	14	40 Å²	40	14%	0.144	20%	0.201	C	C	.	.			trans	66.2	14.7	-178.7	0	0	0	0	0	113.5	Q265 G295	Q265-G299 PolarHBondContact NE2-O 2.83Å; G295-G299 WeakPolarHBondContact O-CA 3.45Å; G295-G299 PolarHBondContact O-N 2.79Å
300	K	96.3	Very high	94.4	Very high	117 Å²	117	39.9 Å²	39.9	51%	0.509	20%	0.2	S	C	.	.			trans	-77.9	132.8	-174.1	-72.9	-170	-177.9	-178.6	0	111.9	Q265 V294 G295 D298	Q265-K300 VanDerWaalsContact OE1-CA 3.25Å; V294-K300 CarbonylContact C-O 3.58Å; V294-K300 WeakPolarHBondContact CA-O 3.34Å; G295-K300 PolarHBondContact N-O 2.97Å; D298-K300 HydrophobicContact CB-CD 4.44Å; D298-K300 HydrophobicContact CB-CG 4.04Å; D298-K300 PolarHBondContact O-N 2.95Å; D298-K300 PolarHBondContact OD1-N 3Å; D298-K300 WeakPolarHBondContact OD2-CD 3.16Å; D298-K300 WeakPolarHBondContact OD2-CG 3.37Å
301	V	98.1	Very high	94.8	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.9	170.8	-177.3	0	0	0	0	109	L262 Q265 L266 I269 F292 A293 V294	L262-V301 HydrophobicContact CB-CG2 4.43Å; L262-V301 HydrophobicContact CD2-CG2 3.54Å; Q265-V301 HydrophobicContact CB-CB 4.1Å; Q265-V301 HydrophobicContact CB-CG2 3.8Å; Q265-V301 HydrophobicContact CG-CG2 4.48Å; L266-V301 HydrophobicContact CD2-CG1 3.83Å; L266-V301 HydrophobicContact CG-CG1 4.42Å; I269-V301 HydrophobicContact CD1-CB 3.98Å; I269-V301 HydrophobicContact CD1-CG1 3.79Å; F292-V301 HydrophobicContact CB-CG1 4.09Å; F292-V301 HydrophobicContact CD1-CG1 3.86Å; F292-V301 HydrophobicContact CG-CG1 4.36Å; A293-V301 WeakPolarHBondContact O-CA 3.42Å; V294-V301 HydrophobicContact CG2-CG2 4.46Å
302	I	97.9	Very high	95	Very high	33 Å²	33	38 Å²	38	17%	0.169	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141	178.9	-57.8	-67.5	0	0	0	109	F228 V244 F292 A293 V304	F228-I302 VanDerWaalsContact C-CG2 3.42Å; V244-I302 HydrophobicContact CG1-CB 3.84Å; V244-I302 HydrophobicContact CG1-CG1 3.98Å; V244-I302 HydrophobicContact CG2-CB 4.08Å; V244-I302 HydrophobicContact CG2-CG2 3.85Å; F292-I302 WeakPolarHBondContact CA-O 3.31Å; A293-I302 PolarHBondContact N-O 3.06Å; A293-I302 PolarHBondContact O-N 3.44Å; I302-V304 PolarHBondContact O-N 3.1Å
303	I	97.8	Very high	95.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	118.8	173.9	-58	166.5	0	0	0	108.7	P227 F228 A229 I269 L273 L284 N291 F292 D305	P227-I303 HydrophobicContact CG-CD1 4.15Å; P227-I303 WeakPolarHBondContact O-CB 3.38Å; P227-I303 PolarHBondContact O-N 2.81Å; F228-I303 CarbonylContact C-O 3.57Å; F228-I303 WeakPolarHBondContact CA-O 3.17Å; F228-I303 HydrophobicContact CD1-CB 3.68Å; F228-I303 HydrophobicContact CD1-CD1 4.13Å; F228-I303 HydrophobicContact CD1-CG2 3.75Å; F228-I303 HydrophobicContact CE1-CB 3.96Å; F228-I303 HydrophobicContact CE1-CD1 3.67Å; F228-I303 HydrophobicContact CE1-CG1 4.44Å; F228-I303 HydrophobicContact CE1-CG2 3.77Å; F228-I303 HydrophobicContact CZ-CD1 4.17Å; A229-I303 PolarHBondContact N-O 3.15Å; I269-I303 HydrophobicContact CG2-CD1 3.91Å; I269-I303 HydrophobicContact CG2-CG1 4.45Å; L273-I303 HydrophobicContact CD1-CD1 3.76Å; L284-I303 HydrophobicContact CD1-CD1 4.11Å; L284-I303 HydrophobicContact CD2-CD1 4.36Å; N291-I303 CarbonylContact O-C 3.6Å; N291-I303 WeakPolarHBondContact O-CA 3.4Å; F292-I303 HydrophobicContact CD1-CG1 3.85Å; F292-I303 HydrophobicContact CE1-CD1 4.33Å; F292-I303 HydrophobicContact CE1-CG1 3.58Å; F292-I303 HydrophobicContact CZ-CG1 4.47Å; I303-D305 WeakPolarHBondContact CG2-O 3.46Å
304	V	94.9	Very high	95.2	Very high	29 Å²	29	38.5 Å²	38.5	18%	0.176	19%	0.192	C	C	.	.			trans	-105.3	-13.9	-178.9	-66.2	0	0	0	0	113.2	K109 A229 V244 N291 A293 I302	K109-V304 PolarHBondContact NZ-O 3.32Å; A229-V304 HydrophobicContact CB-CG1 4.42Å; V244-V304 HydrophobicContact CB-CG1 4.03Å; V244-V304 HydrophobicContact CG2-CG1 3.7Å; N291-V304 WeakPolarHBondContact O-CG2 3.12Å; N291-V304 PolarHBondContact O-N 3.31Å; A293-V304 HydrophobicContact CB-CG1 3.57Å; A293-V304 HydrophobicContact CB-CG2 4.24Å; I302-V304 PolarHBondContact O-N 3.1Å
305	D	92.9	Very high	95.2	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.107	22%	0.216	C	C	.	.			trans	-123.6	121.5	175.7	-169.5	-19.4	0	0	0	108.7	K89 N291 I303 E307	K89-D305 IonicContact NZ-OD2 2.92Å; K89-D305 PolarHBondContact NZ-OD2 3.45Å; K89-D305 VanDerWaalsContact NZ-OD2 3.13Å; N291-D305 HydrophobicContact CB-CB 4.04Å; N291-D305 WeakPolarHBondContact ND2-CB 3.38Å; N291-D305 PolarHBondContact ND2-OD2 3.34Å; N291-D305 PolarHBondContact O-N 3.16Å; I303-D305 WeakPolarHBondContact CG2-O 3.46Å; D305-E307 VanDerWaalsContact OD1-CG 3.26Å; D305-E307 WeakPolarHBondContact OD1-CG 3.36Å; D305-E307 PolarHBondContact OD1-N 2.87Å
306	A	94.6	Very high	95.4	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	23%	0.226	C	C	.	.			trans	-133	31.6	-176.7	0	0	0	0	0	111.4	E213 V216 L217 F228 V309	E213-A306 WeakPolarHBondContact CA-O 3.27Å; E213-A306 HydrophobicContact CG-CB 3.96Å; V216-A306 HydrophobicContact CB-CB 4.24Å; V216-A306 HydrophobicContact CG1-CB 4Å; L217-A306 HydrophobicContact CD2-CB 4.17Å; F228-A306 HydrophobicContact CD1-CB 4.15Å; F228-A306 HydrophobicContact CE1-CB 4.05Å; A306-V309 HydrophobicContact CB-CG2 3.93Å
307	E	91.6	Very high	95.8	Very high	40 Å²	40	42.8 Å²	42.8	19%	0.187	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-38.4	179.1	-65.5	-174.4	154	0	0	112	N211 E213 D305	N211-E307 WeakPolarHBondContact ND2-CG 3.4Å; N211-E307 PolarHBondContact ND2-OE1 3.16Å; E213-E307 HydrophobicContact CB-CG 4.02Å; E213-E307 WeakPolarHBondContact OE2-CG 3.21Å; D305-E307 VanDerWaalsContact OD1-CG 3.26Å; D305-E307 WeakPolarHBondContact OD1-CG 3.36Å; D305-E307 PolarHBondContact OD1-N 2.87Å
308	N	94.2	Very high	96.3	Very high	63 Å²	63	35.3 Å²	35.3	34%	0.337	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	62.6	-174.7	-64	108.6	0	0	0	112.9	D165 L285 D286	D165-N308 PolarHBondContact OD2-ND2 2.86Å; L285-N308 HydrophobicContact CB-CB 4.21Å; L285-N308 WeakPolarHBondContact CB-O 3.27Å; L285-N308 PolarHBondContact N-O 2.81Å; D286-N308 HydrophobicContact CB-CB 4.1Å
309	V	98.1	Very high	96.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.1	175.8	-176.4	0	0	0	0	110.5	D165 L166 V216 L282 Y283 L284 A306 V311	D165-V309 CarbonylContact C-O 3.28Å; D165-V309 VanDerWaalsContact C-O 3.29Å; L166-V309 WeakPolarHBondContact CA-O 3.49Å; L166-V309 PolarHBondContact N-O 3.02Å; L166-V309 VanDerWaalsContact N-O 3.13Å; V216-V309 HydrophobicContact CG1-CB 4.44Å; V216-V309 HydrophobicContact CG1-CG1 4.5Å; V216-V309 HydrophobicContact CG1-CG2 4.37Å; V216-V309 HydrophobicContact CG2-CB 4.24Å; L282-V309 HydrophobicContact CB-CG1 3.97Å; L282-V309 HydrophobicContact CD2-CG1 4.47Å; L282-V309 HydrophobicContact CG-CG1 4.28Å; Y283-V309 WeakPolarHBondContact O-CA 3.31Å; L284-V309 HydrophobicContact CD2-CG2 3.79Å; A306-V309 HydrophobicContact CB-CG2 3.93Å; V309-V311 HydrophobicContact CG1-CG2 4.15Å
310	L	98.5	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.9	169.7	-175.9	154	0	0	0	110	D165 H168 L282 Y283 L285 A312 K346 L349	D165-L310 WeakPolarHBondContact O-CA 3.35Å; H168-L310 HydrophobicContact CB-CD1 3.87Å; H168-L310 HydrophobicContact CB-CG 4.26Å; L282-L310 CarbonylContact C-O 3.29Å; L282-L310 WeakPolarHBondContact CA-O 3.03Å; Y283-L310 HydrophobicContact CD2-CD2 3.71Å; Y283-L310 HydrophobicContact CE2-CD2 4.39Å; Y283-L310 PolarHBondContact N-O 2.79Å; Y283-L310 PolarHBondContact O-N 3.34Å; L285-L310 HydrophobicContact CD1-CB 3.99Å; L285-L310 HydrophobicContact CD1-CD1 4.49Å; L285-L310 HydrophobicContact CD2-CB 4.04Å; L285-L310 HydrophobicContact CG-CB 4.11Å; L310-A312 HydrophobicContact CD2-CB 4.39Å; L310-K346 HydrophobicContact CD1-CB 3.89Å; L310-K346 HydrophobicContact CD1-CD 4.13Å; L310-K346 HydrophobicContact CD1-CG 3.94Å; L310-L349 HydrophobicContact CD1-CD1 4.46Å; L310-L349 HydrophobicContact CD2-CB 4.08Å
311	V	98.6	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.5	-179.3	-173.6	0	0	0	0	110.7	L166 L174 F220 F280 A281 L282 V309	L166-V311 HydrophobicContact CD1-CB 4.15Å; L166-V311 HydrophobicContact CD1-CG2 3.43Å; L166-V311 VanDerWaalsContact CD1-CG2 3.43Å; L174-V311 HydrophobicContact CD1-CB 4.37Å; L174-V311 HydrophobicContact CD1-CG1 3.87Å; L174-V311 HydrophobicContact CD2-CB 3.9Å; L174-V311 HydrophobicContact CD2-CG1 4Å; F220-V311 HydrophobicContact CE2-CG1 4.37Å; F220-V311 HydrophobicContact CE2-CG2 4.1Å; F220-V311 HydrophobicContact CZ-CG1 3.92Å; F220-V311 HydrophobicContact CZ-CG2 4.46Å; F280-V311 HydrophobicContact CB-CG1 4.38Å; F280-V311 HydrophobicContact CD1-CG1 3.92Å; F280-V311 HydrophobicContact CG-CG1 4.42Å; A281-V311 CarbonylContact O-C 3.5Å; A281-V311 WeakPolarHBondContact O-CA 3.37Å; L282-V311 HydrophobicContact CD1-CG1 4.33Å; L282-V311 HydrophobicContact CG-CG2 4.13Å; V309-V311 HydrophobicContact CG1-CG2 4.15Å
312	A	98.3	Very high	96.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	175.6	0	0	0	0	0	110.8	F280 A281 Y283 L310 K314 I317 L349	F280-A312 WeakPolarHBondContact CA-O 3.15Å; A281-A312 HydrophobicContact CB-CB 4.27Å; A281-A312 PolarHBondContact N-O 2.75Å; A281-A312 PolarHBondContact O-N 2.74Å; Y283-A312 HydrophobicContact CD2-CB 4.49Å; Y283-A312 HydrophobicContact CE2-CB 3.84Å; L310-A312 HydrophobicContact CD2-CB 4.39Å; A312-K314 PolarHBondContact O-N 2.92Å; A312-I317 HydrophobicContact CB-CD1 4.29Å; A312-L349 WeakPolarHBondContact CB-O 3.31Å
313	D	98.4	Very high	96.8	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	94.5	175.7	-172.1	-18.8	0	0	0	110.3	S171 R173 F280 R315 Q316 I317	S171-D313 VanDerWaalsContact CB-OD2 3.3Å; S171-D313 WeakPolarHBondContact CB-OD2 3.32Å; S171-D313 WeakPolarHBondContact OG-CB 3.49Å; S171-D313 PolarHBondContact OG-OD2 2.98Å; R173-D313 WeakPolarHBondContact CB-OD2 3.34Å; R173-D313 IonicContact CZ-OD1 3.69Å; R173-D313 IonicContact CZ-OD2 3.71Å; R173-D313 VanDerWaalsContact NE-CG 3.35Å; R173-D313 IonicContact NE-OD1 2.78Å; R173-D313 PolarHBondContact NE-OD1 3.06Å; R173-D313 IonicContact NE-OD2 3.37Å; R173-D313 PolarHBondContact NE-OD2 2.64Å; R173-D313 IonicContact NH2-OD1 2.55Å; R173-D313 PolarHBondContact NH2-OD1 2.92Å; R173-D313 IonicContact NH2-OD2 2.67Å; R173-D313 PolarHBondContact NH2-OD2 3.13Å; F280-D313 HydrophobicContact CD1-CB 4.21Å; F280-D313 HydrophobicContact CE1-CB 4.03Å; D313-R315 PolarHBondContact O-N 2.68Å; D313-R315 WeakPolarHBondContact OD1-CB 3.32Å; D313-R315 PolarHBondContact OD1-N 2.96Å; D313-Q316 HydrophobicContact CB-CB 3.8Å; D313-Q316 WeakPolarHBondContact O-CB 3.34Å; D313-Q316 PolarHBondContact O-N 3.3Å; D313-Q316 VanDerWaalsContact O-N 3.07Å; D313-Q316 PolarHBondContact OD1-N 2.81Å; D313-Q316 VanDerWaalsContact OD1-N 3.09Å; D313-I317 WeakPolarHBondContact O-CG1 3.34Å; D313-I317 PolarHBondContact O-N 3.03Å
314	K	98.2	Very high	96.7	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-29.7	-179.6	-65	-165	178.4	-163.7	0	112.2	T274 N275 D279 A281 A312 K318 V353	T274-K314 WeakPolarHBondContact O-CE 3.42Å; T274-K314 PolarHBondContact O-NZ 2.55Å; N275-K314 PolarHBondContact OD1-NZ 2.89Å; D279-K314 HydrophobicContact CB-CB 4.38Å; D279-K314 WeakPolarHBondContact O-CB 3.42Å; D279-K314 PolarHBondContact O-N 3.22Å; A281-K314 HydrophobicContact CB-CD 4.41Å; A281-K314 HydrophobicContact CB-CG 4.2Å; A312-K314 PolarHBondContact O-N 2.92Å; K314-K318 WeakPolarHBondContact O-CB 3.44Å; K314-K318 WeakPolarHBondContact O-CD 3.22Å; K314-K318 WeakPolarHBondContact O-CG 3.37Å; K314-K318 PolarHBondContact O-N 3.48Å; K314-V353 WeakPolarHBondContact CE-O 3.38Å; K314-V353 PolarHBondContact NZ-O 3.31Å; K314-V353 VanDerWaalsContact NZ-O 3.07Å
315	R	97.9	Very high	96.8	Very high	139 Å²	139	53.4 Å²	53.4	53%	0.525	25%	0.251	S	S	.	.	H	α-helix	trans	-67.5	-44.2	176.1	-178.6	179	174	171.5	0.2	110.8	D279 D313 K318 Q319	D279-R315 HydrophobicContact CB-CB 4.04Å; D313-R315 PolarHBondContact O-N 2.68Å; D313-R315 WeakPolarHBondContact OD1-CB 3.32Å; D313-R315 PolarHBondContact OD1-N 2.96Å; R315-K318 PolarHBondContact O-N 3.17Å; R315-Q319 VanDerWaalsContact O-CG 3.25Å; R315-Q319 WeakPolarHBondContact O-CG 3.25Å; R315-Q319 PolarHBondContact O-N 3.31Å; R315-Q319 VanDerWaalsContact O-N 3.14Å
316	Q	97.8	Very high	96.9	Very high	61 Å²	61	57 Å²	57	29%	0.285	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-45.8	174.8	-171	69.9	48.2	0	0	110.9	D313 K318 Q319 D320	D313-Q316 HydrophobicContact CB-CB 3.8Å; D313-Q316 WeakPolarHBondContact O-CB 3.34Å; D313-Q316 PolarHBondContact O-N 3.3Å; D313-Q316 VanDerWaalsContact O-N 3.07Å; D313-Q316 PolarHBondContact OD1-N 2.81Å; D313-Q316 VanDerWaalsContact OD1-N 3.09Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.38Å; Q316-Q319 WeakPolarHBondContact O-CA 3.43Å; Q316-Q319 WeakPolarHBondContact O-CB 3.27Å; Q316-Q319 PolarHBondContact O-N 2.91Å; Q316-D320 WeakPolarHBondContact CG-OD2 3.35Å; Q316-D320 PolarHBondContact NE2-OD1 3.05Å; Q316-D320 PolarHBondContact NE2-OD2 3.33Å; Q316-D320 PolarHBondContact O-N 2.88Å
317	I	98	Very high	97.1	Very high	10 Å²	10	59.5 Å²	59.5	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-45.9	177.7	-63.7	167.3	0	0	0	111.4	A312 D313 Q319 K321 P322 C350 S351 V353	A312-I317 HydrophobicContact CB-CD1 4.29Å; D313-I317 WeakPolarHBondContact O-CG1 3.34Å; D313-I317 PolarHBondContact O-N 3.03Å; I317-Q319 PolarHBondContact O-N 2.66Å; I317-K321 WeakPolarHBondContact O-CA 3.38Å; I317-K321 PolarHBondContact O-N 2.89Å; I317-P322 HydrophobicContact CG2-CG 4.25Å; I317-P322 WeakPolarHBondContact O-CD 3.49Å; I317-C350 WeakPolarHBondContact CD1-O 3.11Å; I317-C350 WeakPolarHBondContact CG1-O 3.29Å; I317-S351 WeakPolarHBondContact CG2-O 3.29Å; I317-V353 HydrophobicContact CB-CG2 4.41Å; I317-V353 HydrophobicContact CG2-CG2 3.64Å
318	K	97.6	Very high	97.3	Very high	89 Å²	89	63.2 Å²	63.2	39%	0.387	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-28.4	177.2	-71.5	165	-173.4	170.7	0	112.7	D279 K314 R315 Q316 K321 V353	D279-K318 IonicContact OD1-NZ 3.51Å; D279-K318 PolarHBondContact OD1-NZ 3.01Å; D279-K318 IonicContact OD2-NZ 3.02Å; K314-K318 WeakPolarHBondContact O-CB 3.44Å; K314-K318 WeakPolarHBondContact O-CD 3.22Å; K314-K318 WeakPolarHBondContact O-CG 3.37Å; K314-K318 PolarHBondContact O-N 3.48Å; R315-K318 PolarHBondContact O-N 3.17Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.38Å; K318-K321 WeakPolarHBondContact O-CG 3.49Å; K318-V353 HydrophobicContact CG-CG1 4.29Å; K318-V353 HydrophobicContact CG-CG2 3.85Å
319	Q	97.4	Very high	97.5	Very high	111 Å²	111	62.1 Å²	62.1	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-80.2	-50.9	178.7	-73.9	172.4	-11.3	0	0	111.5	R315 Q316 I317 K321	R315-Q319 VanDerWaalsContact O-CG 3.25Å; R315-Q319 WeakPolarHBondContact O-CG 3.25Å; R315-Q319 PolarHBondContact O-N 3.31Å; R315-Q319 VanDerWaalsContact O-N 3.14Å; Q316-Q319 WeakPolarHBondContact O-CA 3.43Å; Q316-Q319 WeakPolarHBondContact O-CB 3.27Å; Q316-Q319 PolarHBondContact O-N 2.91Å; I317-Q319 PolarHBondContact O-N 2.66Å; Q319-K321 VanDerWaalsContact C-N 3.34Å
320	D	97.1	Very high	97.4	Very high	104 Å²	104	64 Å²	64	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-75.1	-27.7	-175.2	-65.5	-13.9	0	0	0	112.3	Q316	Q316-D320 WeakPolarHBondContact CG-OD2 3.35Å; Q316-D320 PolarHBondContact NE2-OD1 3.05Å; Q316-D320 PolarHBondContact NE2-OD2 3.33Å; Q316-D320 PolarHBondContact O-N 2.88Å
321	K	97.6	Very high	97.2	Very high	126 Å²	126	64.1 Å²	64.1	55%	0.548	30%	0.298	S	S	.	.			trans	49	57.8	-179.4	-61.1	-177.4	179.2	-178.9	0	112.2	I317 K318 Q319 Y325	I317-K321 WeakPolarHBondContact O-CA 3.38Å; I317-K321 PolarHBondContact O-N 2.89Å; K318-K321 WeakPolarHBondContact O-CG 3.49Å; Q319-K321 VanDerWaalsContact C-N 3.34Å; K321-Y325 HydrophobicContact CB-CD1 3.7Å; K321-Y325 HydrophobicContact CB-CE1 3.58Å; K321-Y325 HydrophobicContact CB-CG 4.22Å; K321-Y325 HydrophobicContact CD-CE1 4.07Å; K321-Y325 HydrophobicContact CG-CD1 4.24Å; K321-Y325 HydrophobicContact CG-CD2 4.43Å; K321-Y325 HydrophobicContact CG-CE1 3.81Å; K321-Y325 HydrophobicContact CG-CE2 4.03Å
322	P	96.6	Very high	96.9	Very high	46 Å²	46	73.7 Å²	73.7	30%	0.299	34%	0.335	S	S	.	.			trans	-59	166.4	176.2	27.9	-35.5	0	0	0	111.2	I317 N324 Y325	I317-P322 HydrophobicContact CG2-CG 4.25Å; I317-P322 WeakPolarHBondContact O-CD 3.49Å; P322-N324 PolarHBondContact O-N 3.12Å; P322-Y325 VanDerWaalsContact O-CB 3.27Å; P322-Y325 WeakPolarHBondContact O-CB 3.21Å; P322-Y325 WeakPolarHBondContact O-CD1 3.43Å; P322-Y325 PolarHBondContact O-N 3.29Å
323	E	95.9	Very high	96.6	Very high	163 Å²	163	75.6 Å²	75.6	76%	0.762	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	130.5	-178.1	-159.8	-164	141.8	0	0	111.7	Y325	E323-Y325 PolarHBondContact O-N 2.91Å
324	N	95.9	Very high	95.9	Very high	68 Å²	68	78.9 Å²	78.9	36%	0.364	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	21.5	-178.9	-51.7	-68.6	0	0	0	115.4	P322 D326 V327 R352	P322-N324 PolarHBondContact O-N 3.12Å; N324-D326 PolarHBondContact O-N 2.03Å; N324-D326 VanDerWaalsContact O-N 3.09Å; N324-V327 HydrophobicContact CB-CB 4.21Å; N324-V327 HydrophobicContact CB-CG2 4.26Å; N324-V327 PolarHBondContact O-N 3.07Å; N324-R352 VanDerWaalsContact CB-NH1 3.3Å; N324-R352 WeakPolarHBondContact O-CD 3.08Å; N324-R352 PolarHBondContact O-NE 3.42Å; N324-R352 PolarHBondContact O-NH1 2.9Å
325	Y	97.3	Very high	95.1	Very high	61 Å²	61	86 Å²	86	24%	0.239	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.4	-177.4	76.2	-80.3	0	0	0	114.9	K321 P322 E323 S351 V353	K321-Y325 HydrophobicContact CB-CD1 3.7Å; K321-Y325 HydrophobicContact CB-CE1 3.58Å; K321-Y325 HydrophobicContact CB-CG 4.22Å; K321-Y325 HydrophobicContact CD-CE1 4.07Å; K321-Y325 HydrophobicContact CG-CD1 4.24Å; K321-Y325 HydrophobicContact CG-CD2 4.43Å; K321-Y325 HydrophobicContact CG-CE1 3.81Å; K321-Y325 HydrophobicContact CG-CE2 4.03Å; P322-Y325 VanDerWaalsContact O-CB 3.27Å; P322-Y325 WeakPolarHBondContact O-CB 3.21Å; P322-Y325 WeakPolarHBondContact O-CD1 3.43Å; P322-Y325 PolarHBondContact O-N 3.29Å; E323-Y325 PolarHBondContact O-N 2.91Å; Y325-S351 WeakPolarHBondContact CA-O 3.35Å; Y325-V353 HydrophobicContact CD2-CG2 3.96Å; Y325-V353 PolarHBondContact O-N 3.47Å
326	D	96.4	Very high	93.9	Very high	96 Å²	96	81 Å²	81	51%	0.513	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-14.7	-177.8	63.2	-28	0	0	0	113.5	N324	N324-D326 PolarHBondContact O-N 2.03Å; N324-D326 VanDerWaalsContact O-N 3.09Å
327	V	96.9	Very high	92.5	Very high	54 Å²	54	85.9 Å²	85.9	33%	0.327	41%	0.406	S	S	.	.	S	Bend	trans	-77.6	126.6	176.8	172	0	0	0	0	109.3	N324 R352	N324-V327 HydrophobicContact CB-CB 4.21Å; N324-V327 HydrophobicContact CB-CG2 4.26Å; N324-V327 PolarHBondContact O-N 3.07Å; V327-R352 PolarHBondContact O-NH1 2.72Å; V327-R352 VanDerWaalsContact O-NH1 3.11Å
328	W	97.4	Very high	91.4	Very high	118 Å²	118	95 Å²	95	45%	0.447	44%	0.439	S	S	.	.			trans	-65.4	137.7	-177.6	-63.7	20.3	0	0	0	110.9	T354 Y408 F411	W328-T354 HydrophobicContact CB-CG2 4.37Å; W328-T354 HydrophobicContact CD2-CG2 3.69Å; W328-T354 HydrophobicContact CE3-CG2 4.18Å; W328-T354 HydrophobicContact CG-CG2 3.75Å; W328-Y408 HydrophobicContact CB-CD1 3.84Å; W328-Y408 HydrophobicContact CB-CE1 3.58Å; W328-Y408 HydrophobicContact CB-CE2 4.41Å; W328-Y408 HydrophobicContact CB-CG 4.36Å; W328-Y408 HydrophobicContact CE3-CD1 4.27Å; W328-Y408 HydrophobicContact CE3-CD2 4.3Å; W328-Y408 AromaticContact CE3-CG 3.88Å; W328-Y408 HydrophobicContact CE3-CG 3.88Å; W328-Y408 VanDerWaalsContact O-CE1 3.29Å; W328-Y408 WeakPolarHBondContact O-CE1 3.48Å; W328-Y408 PolarHBondContact O-OH 3.35Å; W328-F411 HydrophobicContact CB-CE2 4.49Å; W328-F411 AromaticContact CE3-CD2 3.71Å; W328-F411 HydrophobicContact CE3-CD2 3.71Å; W328-F411 AromaticContact CE3-CE2 3.78Å; W328-F411 HydrophobicContact CE3-CE2 3.78Å; W328-F411 HydrophobicContact CE3-CG 4.09Å; W328-F411 HydrophobicContact CE3-CZ 4.2Å; W328-F411 HydrophobicContact CZ3-CB 4.21Å; W328-F411 AromaticContact CZ3-CD2 3.97Å; W328-F411 HydrophobicContact CZ3-CD2 3.97Å; W328-F411 HydrophobicContact CZ3-CE2 4.47Å; W328-F411 AromaticContact CZ3-CG 3.99Å; W328-F411 HydrophobicContact CZ3-CG 3.99Å
329	Y	97.4	Very high	90.5	Very high	40 Å²	40	95.1 Å²	95.1	16%	0.157	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-109	118.5	176.3	176.9	-104	0	0	0	110.1	F344 S345 A348 L349 T354 V355 D356	Y329-F344 WeakPolarHBondContact OH-CA 3.4Å; Y329-S345 PolarHBondContact OH-N 2.89Å; Y329-A348 HydrophobicContact CD1-CB 3.94Å; Y329-A348 HydrophobicContact CD2-CB 3.46Å; Y329-A348 VanDerWaalsContact CD2-CB 3.46Å; Y329-A348 HydrophobicContact CE1-CB 3.98Å; Y329-A348 HydrophobicContact CE2-CB 3.47Å; Y329-A348 VanDerWaalsContact CE2-CB 3.47Å; Y329-A348 HydrophobicContact CG-CB 3.71Å; Y329-L349 HydrophobicContact CD1-CD2 4.3Å; Y329-L349 HydrophobicContact CE1-CD2 4Å; Y329-T354 PolarHBondContact N-O 3.03Å; Y329-V355 HydrophobicContact CD1-CG1 3.95Å; Y329-V355 HydrophobicContact CD1-CG2 4.37Å; Y329-V355 WeakPolarHBondContact O-CA 3.47Å; Y329-D356 PolarHBondContact O-N 3.24Å
330	E	96.3	Very high	89.3	Confident	41 Å²	41	91 Å²	91	19%	0.192	43%	0.426	C	S	.	.			trans	-110.8	114.3	176.1	173.6	166.5	-106.5	0	0	108.4	D356 P404 Y408 G409 R410 F411	E330-D356 WeakPolarHBondContact CA-OD1 3.46Å; E330-D356 VanDerWaalsContact CA-OD2 3.27Å; E330-D356 WeakPolarHBondContact CA-OD2 3.25Å; E330-D356 VanDerWaalsContact CG-OD2 3.31Å; E330-D356 WeakPolarHBondContact CG-OD2 3.19Å; E330-P404 HydrophobicContact CG-CG 4Å; E330-P404 WeakPolarHBondContact OE1-CG 3.38Å; E330-Y408 HydrophobicContact CB-CD1 4.07Å; E330-Y408 HydrophobicContact CB-CE1 4.44Å; E330-Y408 VanDerWaalsContact OE1-C 3.24Å; E330-Y408 WeakPolarHBondContact OE1-CA 3.23Å; E330-Y408 PolarHBondContact OE1-N 3.08Å; E330-Y408 PolarHBondContact OE2-N 2.97Å; E330-G409 PolarHBondContact OE1-N 3.38Å; E330-G409 VanDerWaalsContact OE1-N 3.16Å; E330-R410 PolarHBondContact OE1-N 2.9Å; E330-F411 HydrophobicContact CB-CE2 4.42Å
331	S	95	Very high	88.6	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.007	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-60.4	142.1	179.3	-77	0	0	0	0	111	S343 D356 Y360 R410	S331-S343 WeakPolarHBondContact CB-O 3.36Å; S331-D356 PolarHBondContact N-OD1 2.93Å; S331-Y360 VanDerWaalsContact CB-CD1 3.42Å; S331-R410 PolarHBondContact O-NH1 3.08Å; S331-R410 PolarHBondContact O-NH2 2.84Å
332	R	91.4	Very high	88.3	Confident	201 Å²	201	81.8 Å²	81.8	76%	0.758	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-77.2	141.6	-179.4	-64.9	-176.9	-179.7	-178.1	1	110	S343 Y360	R332-S343 WeakPolarHBondContact O-CB 3.22Å; R332-Y360 PolarHBondContact O-OH 3.19Å
333	F	91.1	Very high	88	Confident	42 Å²	42	81.3 Å²	81.3	18%	0.184	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-63.1	134.2	167.2	172.8	-102.3	0	0	0	109.8	E335 Y370 T402 K403	F333-E335 HydrophobicContact CE1-CB 3.82Å; F333-E335 HydrophobicContact CE1-CG 4.44Å; F333-E335 HydrophobicContact CZ-CB 4.26Å; F333-Y370 HydrophobicContact CE2-CD1 4.09Å; F333-Y370 HydrophobicContact CE2-CD2 4.28Å; F333-Y370 HydrophobicContact CE2-CE1 4.28Å; F333-Y370 HydrophobicContact CE2-CE2 4.48Å; F333-Y370 HydrophobicContact CE2-CG 4.08Å; F333-Y370 AromaticContact CZ-CD1 3.9Å; F333-Y370 HydrophobicContact CZ-CD1 3.9Å; F333-Y370 AromaticContact CZ-CE1 3.89Å; F333-Y370 HydrophobicContact CZ-CE1 3.89Å; F333-Y370 HydrophobicContact CZ-CG 4.37Å; F333-T402 HydrophobicContact CD2-CG2 3.91Å; F333-T402 HydrophobicContact CE2-CG2 3.94Å; F333-K403 HydrophobicContact CB-CB 4.18Å; F333-K403 HydrophobicContact CB-CG 3.95Å; F333-K403 HydrophobicContact CD1-CB 4.48Å; F333-K403 HydrophobicContact CD1-CD 3.72Å; F333-K403 HydrophobicContact CD1-CG 3.93Å; F333-K403 HydrophobicContact CD2-CB 3.86Å; F333-K403 HydrophobicContact CD2-CD 4.41Å; F333-K403 HydrophobicContact CD2-CG 4.2Å; F333-K403 HydrophobicContact CE1-CD 3.85Å; F333-K403 HydrophobicContact CE2-CB 4.38Å; F333-K403 HydrophobicContact CG-CB 3.91Å; F333-K403 HydrophobicContact CG-CD 4.01Å; F333-K403 HydrophobicContact CG-CG 3.75Å; F333-K403 HydrophobicContact CZ-CD 4.26Å
334	E	85.8	Confident	88	Confident	76 Å²	76	76.1 Å²	76.1	36%	0.355	36%	0.357	S	S	.	.			trans	-116.8	124	173.4	-174.2	167.5	-172.5	0	0	108.8	L342 S343 Y360 Q364	E334-L342 VanDerWaalsContact OE2-C 3.3Å; E334-S343 WeakPolarHBondContact OE2-CB 3.08Å; E334-S343 PolarHBondContact OE2-N 2.81Å; E334-Y360 PolarHBondContact N-OH 3.37Å; E334-Q364 PolarHBondContact O-NE2 3.39Å
335	E	81.1	Confident	88	Confident	158 Å²	158	74.7 Å²	74.7	74%	0.738	35%	0.352	S	S	*	.			trans	-89.7	117.5	171.8	-166	164.8	-167.4	0	0	107.8	F333	F333-E335 HydrophobicContact CE1-CB 3.82Å; F333-E335 HydrophobicContact CE1-CG 4.44Å; F333-E335 HydrophobicContact CZ-CB 4.26Å
336	C	71.8	Confident	88	Confident	36 Å²	36	74.7 Å²	74.7	24%	0.243	35%	0.353	C	S	.	.			trans	-145.3	151.3	178.9	84.8	0	0	0	0	110.6	R338 C341	C336-R338 VanDerWaalsContact C-N 3.28Å; C336-R338 PolarHBondContact SG-N 3.49Å; C336-R338 VanDerWaalsContact SG-N 3.44Å; C336-R338 PolarHBondContact SG-O 2.81Å; C336-C341 HydrophobicContact CB-CB 3.69Å; C336-C341 WeakPolarHBondContact CB-SG 3.41Å; C336-C341 WeakPolarHBondContact SG-CB 3.43Å; C336-C341 CovalentContact SG-SG 1.98Å; C336-C341 PolarHBondContact SG-SG 3.47Å
337	D	68.9	Low	88	Confident	163 Å²	163	76 Å²	76	87%	0.872	36%	0.356	S	S	*	.	S	Bend	trans	-92.3	14.3	173.6	-56.9	-41.1	0	0	0	112.3
338	R	74.3	Confident	88	Confident	201 Å²	201	73.9 Å²	73.9	76%	0.758	34%	0.344	S	S	*	.	S	Bend	trans	-110.3	159.4	-175.2	-61.5	-177.7	-176	179.1	2.5	111	C336 C341	C336-R338 VanDerWaalsContact C-N 3.28Å; C336-R338 PolarHBondContact SG-N 3.49Å; C336-R338 VanDerWaalsContact SG-N 3.44Å; C336-R338 PolarHBondContact SG-O 2.81Å; R338-C341 PolarHBondContact O-SG 2.81Å; R338-C341 VanDerWaalsContact O-SG 3.41Å
339	E	78	Confident	88	Confident	92 Å²	92	68.3 Å²	68.3	43%	0.43	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	144.9	173.2	-59.8	179.1	166.1	0	0	110.2	C341 W373 R374	E339-C341 PolarHBondContact O-N 3.18Å; E339-W373 HydrophobicContact CB-CE3 4.04Å; E339-W373 HydrophobicContact CB-CZ3 4.16Å; E339-W373 HydrophobicContact CG-CE3 4.07Å; E339-W373 HydrophobicContact CG-CZ3 4.49Å; E339-W373 WeakPolarHBondContact OE2-CZ3 3.43Å; E339-R374 WeakPolarHBondContact OE1-CA 3.3Å; E339-R374 PolarHBondContact OE1-N 2.9Å
340	A	72.4	Confident	88	Confident	25 Å²	25	67.5 Å²	67.5	21%	0.207	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	41.6	171.1	0	0	0	0	0	116.9	D286 N365	D286-A340 VanDerWaalsContact OD1-CB 3.29Å; D286-A340 WeakPolarHBondContact OD1-CB 3.12Å; A340-N365 WeakPolarHBondContact CA-ND2 3.38Å
341	C	82.1	Confident	88.1	Confident	17 Å²	17	66.9 Å²	66.9	12%	0.115	32%	0.324	C	S	.	.			trans	-81.1	127.7	178.5	-58.6	0	0	0	0	113.6	C336 R338 E339 N365	C336-C341 HydrophobicContact CB-CB 3.69Å; C336-C341 WeakPolarHBondContact CB-SG 3.41Å; C336-C341 WeakPolarHBondContact SG-CB 3.43Å; C336-C341 CovalentContact SG-SG 1.98Å; C336-C341 PolarHBondContact SG-SG 3.47Å; R338-C341 PolarHBondContact O-SG 2.81Å; R338-C341 VanDerWaalsContact O-SG 3.41Å; E339-C341 PolarHBondContact O-N 3.18Å; C341-N365 PolarHBondContact O-OD1 3Å
342	L	91.4	Very high	88.2	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.099	33%	0.331	C	S	.	.			trans	-140.1	125.6	179.5	-62.2	174.1	0	0	0	109.9	V287 E334 F344 Y360 A361 Q364 N365	V287-L342 HydrophobicContact CB-CD1 4.39Å; V287-L342 HydrophobicContact CG2-CD1 4.39Å; E334-L342 VanDerWaalsContact OE2-C 3.3Å; L342-F344 HydrophobicContact CB-CD1 3.78Å; L342-F344 HydrophobicContact CB-CE1 3.78Å; L342-F344 WeakPolarHBondContact O-CD1 3.26Å; L342-Y360 HydrophobicContact CB-CE1 4.28Å; L342-Y360 HydrophobicContact CD2-CD1 4.13Å; L342-Y360 HydrophobicContact CD2-CE1 3.79Å; L342-A361 HydrophobicContact CD1-CB 3.72Å; L342-A361 VanDerWaalsContact CD2-CA 3.5Å; L342-A361 HydrophobicContact CD2-CB 3.74Å; L342-A361 HydrophobicContact CG-CB 4.41Å; L342-Q364 HydrophobicContact CD2-CB 4.44Å; L342-N365 WeakPolarHBondContact CD2-ND2 3.42Å; L342-N365 WeakPolarHBondContact CG-ND2 3.04Å
343	S	91.8	Very high	88.5	Confident	35 Å²	35	60.4 Å²	60.4	25%	0.245	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-99.8	113.6	172.4	157.2	0	0	0	0	111.2	S331 R332 E334	S331-S343 WeakPolarHBondContact CB-O 3.36Å; R332-S343 WeakPolarHBondContact O-CB 3.22Å; E334-S343 WeakPolarHBondContact OE2-CB 3.08Å; E334-S343 PolarHBondContact OE2-N 2.81Å
344	F	94.5	Very high	88.8	Confident	55 Å²	55	60.3 Å²	60.3	24%	0.241	31%	0.305	C	S	.	.			trans	-150	159.3	178.5	57.5	-88.4	0	0	0	112.7	L285 Y329 L342 K346 L349 H357	L285-F344 HydrophobicContact CB-CE2 4.4Å; L285-F344 HydrophobicContact CB-CZ 3.83Å; L285-F344 HydrophobicContact CD1-CE2 4.08Å; L285-F344 HydrophobicContact CD1-CZ 4.24Å; L285-F344 HydrophobicContact CD2-CD2 4.21Å; L285-F344 HydrophobicContact CD2-CE2 3.63Å; L285-F344 HydrophobicContact CD2-CZ 3.84Å; L285-F344 HydrophobicContact CG-CE2 4.26Å; L285-F344 HydrophobicContact CG-CZ 4.19Å; Y329-F344 WeakPolarHBondContact OH-CA 3.4Å; L342-F344 HydrophobicContact CB-CD1 3.78Å; L342-F344 HydrophobicContact CB-CE1 3.78Å; L342-F344 WeakPolarHBondContact O-CD1 3.26Å; F344-K346 HydrophobicContact CD2-CG 4.29Å; F344-K346 HydrophobicContact CE2-CG 3.94Å; F344-L349 HydrophobicContact CD2-CD1 3.84Å; F344-L349 HydrophobicContact CE2-CD1 4.45Å; F344-L349 HydrophobicContact CG-CD1 4.47Å; F344-H357 AromaticContact CD1-CE1 3.32Å; F344-H357 WeakPolarHBondContact CD1-CE1 3.42Å; F344-H357 AromaticContact CD1-ND1 3.88Å; F344-H357 AromaticContact CE1-CE1 3.88Å; F344-H357 AromaticContact CG-CE1 3.59Å; F344-H357 AromaticContact CG-ND1 3.77Å
345	S	96.8	Very high	89.4	Confident	38 Å²	38	56.8 Å²	56.8	27%	0.266	29%	0.288	S	S	.	.			trans	-106.7	118.2	170.2	160	0	0	0	0	109.4	Y329 E347 A348 L349	Y329-S345 PolarHBondContact OH-N 2.89Å; S345-E347 PolarHBondContact O-N 3.44Å; S345-E347 PolarHBondContact OG-N 2.68Å; S345-E347 PolarHBondContact OG-OE2 2.91Å; S345-A348 WeakPolarHBondContact O-CB 3.43Å; S345-A348 PolarHBondContact O-N 3.22Å; S345-A348 VanDerWaalsContact O-N 3.1Å; S345-A348 PolarHBondContact OG-N 3.36Å; S345-A348 VanDerWaalsContact OG-N 3.12Å; S345-L349 WeakPolarHBondContact O-CG 3.06Å; S345-L349 PolarHBondContact O-N 2.86Å
346	K	96.8	Very high	90.2	Very high	61 Å²	61	49.3 Å²	49.3	27%	0.265	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-34.1	176.8	-64.8	-172.9	-178.5	-173	0	111.5	D165 H168 L285 L310 F344 A348 L349 C350	D165-K346 IonicContact OD1-NZ 3.52Å; D165-K346 PolarHBondContact OD1-NZ 2.97Å; H168-K346 VanDerWaalsContact NE2-CB 3.28Å; H168-K346 WeakPolarHBondContact NE2-CB 3.25Å; L285-K346 HydrophobicContact CD1-CD 4.43Å; L310-K346 HydrophobicContact CD1-CB 3.89Å; L310-K346 HydrophobicContact CD1-CD 4.13Å; L310-K346 HydrophobicContact CD1-CG 3.94Å; F344-K346 HydrophobicContact CD2-CG 4.29Å; F344-K346 HydrophobicContact CE2-CG 3.94Å; K346-A348 VanDerWaalsContact C-N 3.34Å; K346-A348 PolarHBondContact O-N 2.72Å; K346-L349 WeakPolarHBondContact O-CB 3.25Å; K346-L349 PolarHBondContact O-N 3.32Å; K346-C350 WeakPolarHBondContact O-CB 3.36Å; K346-C350 PolarHBondContact O-N 3.38Å; K346-C350 PolarHBondContact O-SG 3.42Å
347	E	96.8	Very high	91.4	Very high	124 Å²	124	47.6 Å²	47.6	58%	0.579	24%	0.241	S	C	*	.	H	α-helix	trans	-61.4	-43.1	174.9	-56.8	74.9	-164.4	0	0	111.1	S345 C350 S351	S345-E347 PolarHBondContact O-N 3.44Å; S345-E347 PolarHBondContact OG-N 2.68Å; S345-E347 PolarHBondContact OG-OE2 2.91Å; E347-C350 PolarHBondContact O-N 2.74Å; E347-S351 VanDerWaalsContact O-CB 3.29Å; E347-S351 WeakPolarHBondContact O-CB 3.37Å; E347-S351 PolarHBondContact O-N 2.88Å; E347-S351 PolarHBondContact O-OG 2.76Å
348	A	97.4	Very high	92.8	Very high	9 Å²	9	40 Å²	40	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-41.5	174.8	0	0	0	0	0	111.8	Y329 S345 K346 C350 S351 R352	Y329-A348 HydrophobicContact CD1-CB 3.94Å; Y329-A348 HydrophobicContact CD2-CB 3.46Å; Y329-A348 VanDerWaalsContact CD2-CB 3.46Å; Y329-A348 HydrophobicContact CE1-CB 3.98Å; Y329-A348 HydrophobicContact CE2-CB 3.47Å; Y329-A348 VanDerWaalsContact CE2-CB 3.47Å; Y329-A348 HydrophobicContact CG-CB 3.71Å; S345-A348 WeakPolarHBondContact O-CB 3.43Å; S345-A348 PolarHBondContact O-N 3.22Å; S345-A348 VanDerWaalsContact O-N 3.1Å; S345-A348 PolarHBondContact OG-N 3.36Å; S345-A348 VanDerWaalsContact OG-N 3.12Å; K346-A348 VanDerWaalsContact C-N 3.34Å; K346-A348 PolarHBondContact O-N 2.72Å; A348-C350 PolarHBondContact O-N 3.45Å; A348-S351 PolarHBondContact O-N 2.52Å; A348-R352 HydrophobicContact CB-CG 4.35Å; A348-R352 VanDerWaalsContact O-CB 3.32Å; A348-R352 WeakPolarHBondContact O-CB 3.4Å; A348-R352 WeakPolarHBondContact O-CG 3.44Å; A348-R352 PolarHBondContact O-N 3Å; A348-R352 VanDerWaalsContact O-N 3.07Å
349	L	97.8	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-35.9	174.3	-59.6	-173	0	0	0	111.9	Y283 L285 L310 A312 Y329 F344 S345 K346 V355 H357	Y283-L349 HydrophobicContact CD1-CD2 4.4Å; Y283-L349 HydrophobicContact CD2-CB 3.79Å; Y283-L349 HydrophobicContact CD2-CD1 4.1Å; Y283-L349 HydrophobicContact CD2-CD2 4.37Å; Y283-L349 HydrophobicContact CD2-CG 4.29Å; Y283-L349 HydrophobicContact CE1-CD2 4.49Å; Y283-L349 HydrophobicContact CE2-CB 3.8Å; Y283-L349 HydrophobicContact CE2-CD2 4.42Å; Y283-L349 WeakPolarHBondContact CE2-O 3.48Å; Y283-L349 HydrophobicContact CG-CB 4.49Å; Y283-L349 HydrophobicContact CG-CD1 4.07Å; Y283-L349 HydrophobicContact CG-CD2 4.32Å; L285-L349 HydrophobicContact CD2-CD1 3.76Å; L310-L349 HydrophobicContact CD1-CD1 4.46Å; L310-L349 HydrophobicContact CD2-CB 4.08Å; A312-L349 WeakPolarHBondContact CB-O 3.31Å; Y329-L349 HydrophobicContact CD1-CD2 4.3Å; Y329-L349 HydrophobicContact CE1-CD2 4Å; F344-L349 HydrophobicContact CD2-CD1 3.84Å; F344-L349 HydrophobicContact CE2-CD1 4.45Å; F344-L349 HydrophobicContact CG-CD1 4.47Å; S345-L349 WeakPolarHBondContact O-CG 3.06Å; S345-L349 PolarHBondContact O-N 2.86Å; K346-L349 WeakPolarHBondContact O-CB 3.25Å; K346-L349 PolarHBondContact O-N 3.32Å; L349-V355 HydrophobicContact CD2-CG1 3.51Å; L349-H357 HydrophobicContact CD2-CB 3.65Å
350	C	97.6	Very high	94.9	Very high	23 Å²	23	26.6 Å²	26.6	16%	0.155	15%	0.146	C	C	.	.	H	α-helix	trans	-84.9	-19.2	-178	-74	0	0	0	0	115.4	C169 I317 K346 E347 A348	C169-C350 HydrophobicContact CB-CB 3.42Å; C169-C350 VanDerWaalsContact CB-CB 3.42Å; C169-C350 WeakPolarHBondContact CB-SG 3.49Å; C169-C350 VanDerWaalsContact SG-CA 3.59Å; C169-C350 WeakPolarHBondContact SG-CB 3.41Å; C169-C350 CovalentContact SG-SG 2.02Å; C169-C350 PolarHBondContact SG-SG 2.89Å; I317-C350 WeakPolarHBondContact CD1-O 3.11Å; I317-C350 WeakPolarHBondContact CG1-O 3.29Å; K346-C350 WeakPolarHBondContact O-CB 3.36Å; K346-C350 PolarHBondContact O-N 3.38Å; K346-C350 PolarHBondContact O-SG 3.42Å; E347-C350 PolarHBondContact O-N 2.74Å; A348-C350 PolarHBondContact O-N 3.45Å
351	S	97.4	Very high	96.1	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	14%	0.137	C	C	.	.	H	α-helix	trans	-112.4	-16.3	-172.9	57.5	0	0	0	0	114.1	I317 Y325 E347 A348	I317-S351 WeakPolarHBondContact CG2-O 3.29Å; Y325-S351 WeakPolarHBondContact CA-O 3.35Å; E347-S351 VanDerWaalsContact O-CB 3.29Å; E347-S351 WeakPolarHBondContact O-CB 3.37Å; E347-S351 PolarHBondContact O-N 2.88Å; E347-S351 PolarHBondContact O-OG 2.76Å; A348-S351 PolarHBondContact O-N 2.52Å
352	R	97.6	Very high	96.8	Very high	42 Å²	42	24.8 Å²	24.8	16%	0.158	13%	0.132	C	C	.	.			trans	-103.7	140.3	-173.9	-52.8	-60.4	-178.3	115.8	-1.4	111.6	N324 V327 A348 V355	N324-R352 VanDerWaalsContact CB-NH1 3.3Å; N324-R352 WeakPolarHBondContact O-CD 3.08Å; N324-R352 PolarHBondContact O-NE 3.42Å; N324-R352 PolarHBondContact O-NH1 2.9Å; V327-R352 PolarHBondContact O-NH1 2.72Å; V327-R352 VanDerWaalsContact O-NH1 3.11Å; A348-R352 HydrophobicContact CB-CG 4.35Å; A348-R352 VanDerWaalsContact O-CB 3.32Å; A348-R352 WeakPolarHBondContact O-CB 3.4Å; A348-R352 WeakPolarHBondContact O-CG 3.44Å; A348-R352 PolarHBondContact O-N 3Å; A348-R352 VanDerWaalsContact O-N 3.07Å; R352-V355 HydrophobicContact CB-CG2 3.74Å
353	V	97.3	Very high	97.1	Very high	24 Å²	24	23.9 Å²	23.9	15%	0.145	13%	0.128	C	C	.	.	S	Bend	trans	-77.4	-37.5	177.6	177.5	0	0	0	0	111.6	K314 I317 K318 Y325	K314-V353 WeakPolarHBondContact CE-O 3.38Å; K314-V353 PolarHBondContact NZ-O 3.31Å; K314-V353 VanDerWaalsContact NZ-O 3.07Å; I317-V353 HydrophobicContact CB-CG2 4.41Å; I317-V353 HydrophobicContact CG2-CG2 3.64Å; K318-V353 HydrophobicContact CG-CG1 4.29Å; K318-V353 HydrophobicContact CG-CG2 3.85Å; Y325-V353 HydrophobicContact CD2-CG2 3.96Å; Y325-V353 PolarHBondContact O-N 3.47Å
354	T	97.8	Very high	97.3	Very high	40 Å²	40	22.5 Å²	22.5	25%	0.245	12%	0.117	C	C	.	.	S	Bend	trans	-113.4	110.7	-175.8	-53.1	0	0	0	0	110.1	W328 Y329 F411	W328-T354 HydrophobicContact CB-CG2 4.37Å; W328-T354 HydrophobicContact CD2-CG2 3.69Å; W328-T354 HydrophobicContact CE3-CG2 4.18Å; W328-T354 HydrophobicContact CG-CG2 3.75Å; Y329-T354 PolarHBondContact N-O 3.03Å; T354-F411 HydrophobicContact CG2-CD1 4.31Å; T354-F411 HydrophobicContact CG2-CE1 3.6Å; T354-F411 HydrophobicContact CG2-CZ 3.94Å
355	V	97.9	Very high	97.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-140.2	141	-171.9	173.5	0	0	0	0	108.7	T274 Y283 Y329 L349 R352 H357	T274-V355 WeakPolarHBondContact CG2-O 3.4Å; Y283-V355 HydrophobicContact CD1-CG1 4.39Å; Y283-V355 HydrophobicContact CE1-CB 3.98Å; Y283-V355 HydrophobicContact CE1-CG1 3.58Å; Y283-V355 VanDerWaalsContact OH-CB 3.3Å; Y283-V355 WeakPolarHBondContact OH-CB 3.47Å; Y283-V355 WeakPolarHBondContact OH-CG2 3.48Å; Y329-V355 HydrophobicContact CD1-CG1 3.95Å; Y329-V355 HydrophobicContact CD1-CG2 4.37Å; Y329-V355 WeakPolarHBondContact O-CA 3.47Å; L349-V355 HydrophobicContact CD2-CG1 3.51Å; R352-V355 HydrophobicContact CB-CG2 3.74Å; V355-H357 HydrophobicContact CG1-CB 3.8Å
356	D	97.6	Very high	97.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.			trans	-105.7	5.8	-177.8	64.7	-1	0	0	0	115.2	Y329 E330 S331 N358 Y359 Y360 R410 F411	Y329-D356 PolarHBondContact O-N 3.24Å; E330-D356 WeakPolarHBondContact CA-OD1 3.46Å; E330-D356 VanDerWaalsContact CA-OD2 3.27Å; E330-D356 WeakPolarHBondContact CA-OD2 3.25Å; E330-D356 VanDerWaalsContact CG-OD2 3.31Å; E330-D356 WeakPolarHBondContact CG-OD2 3.19Å; S331-D356 PolarHBondContact N-OD1 2.93Å; D356-N358 VanDerWaalsContact C-N 3.32Å; D356-N358 PolarHBondContact O-N 3.11Å; D356-N358 VanDerWaalsContact O-N 3.14Å; D356-Y359 HydrophobicContact CB-CD2 3.98Å; D356-Y359 WeakPolarHBondContact O-CA 3.39Å; D356-Y359 WeakPolarHBondContact O-CB 3.24Å; D356-Y359 PolarHBondContact O-N 2.89Å; D356-Y360 PolarHBondContact O-N 2.83Å; D356-R410 HydrophobicContact CB-CG 4.34Å; D356-R410 VanDerWaalsContact CG-NH1 3.3Å; D356-R410 IonicContact OD1-NH1 3.52Å; D356-R410 PolarHBondContact OD1-NH1 3.33Å; D356-R410 VanDerWaalsContact OD2-CD 3.28Å; D356-R410 WeakPolarHBondContact OD2-CD 3.36Å; D356-R410 IonicContact OD2-CZ 2.63Å; D356-R410 IonicContact OD2-NE 2.82Å; D356-R410 IonicContact OD2-NH1 2.62Å; D356-R410 PolarHBondContact OD2-NH1 3.1Å; D356-F411 HydrophobicContact CB-CD1 4.18Å; D356-F411 HydrophobicContact CB-CD2 4.4Å; D356-F411 HydrophobicContact CB-CE1 3.7Å; D356-F411 HydrophobicContact CB-CE2 3.95Å; D356-F411 HydrophobicContact CB-CZ 3.59Å
357	H	98	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-50.8	-44.1	-167.6	178.7	74	0	0	0	114.4	Y283 L284 F344 L349 V355 Y359 Y360 A361	Y283-H357 HydrophobicContact CD1-CB 3.87Å; Y283-H357 HydrophobicContact CE1-CB 4.32Å; L284-H357 PolarHBondContact O-NE2 2.88Å; F344-H357 AromaticContact CD1-CE1 3.32Å; F344-H357 WeakPolarHBondContact CD1-CE1 3.42Å; F344-H357 AromaticContact CD1-ND1 3.88Å; F344-H357 AromaticContact CE1-CE1 3.88Å; F344-H357 AromaticContact CG-CE1 3.59Å; F344-H357 AromaticContact CG-ND1 3.77Å; L349-H357 HydrophobicContact CD2-CB 3.65Å; V355-H357 HydrophobicContact CG1-CB 3.8Å; H357-Y359 VanDerWaalsContact C-N 3.35Å; H357-Y359 PolarHBondContact O-N 2.79Å; H357-Y360 WeakPolarHBondContact O-CB 3.21Å; H357-Y360 PolarHBondContact O-N 3.24Å; H357-A361 WeakPolarHBondContact O-CB 3.48Å; H357-A361 PolarHBondContact O-N 3.46Å
358	N	98.4	Very high	97.1	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-68.4	-33.7	179.3	-68.8	-32.6	0	0	0	112.6	A270 L273 T274 L282 Y283 L284 D356 V362	A270-N358 HydrophobicContact CB-CB 4.05Å; L273-N358 WeakPolarHBondContact CB-ND2 3.45Å; T274-N358 WeakPolarHBondContact OG1-CB 3.38Å; T274-N358 PolarHBondContact OG1-ND2 2.78Å; T274-N358 VanDerWaalsContact OG1-ND2 3.08Å; L282-N358 PolarHBondContact O-ND2 3.16Å; L282-N358 PolarHBondContact O-OD1 3.32Å; Y283-N358 WeakPolarHBondContact CA-OD1 3.5Å; L284-N358 PolarHBondContact N-OD1 3.19Å; L284-N358 VanDerWaalsContact N-OD1 3.09Å; D356-N358 VanDerWaalsContact C-N 3.32Å; D356-N358 PolarHBondContact O-N 3.11Å; D356-N358 VanDerWaalsContact O-N 3.14Å; N358-V362 WeakPolarHBondContact O-CG2 3.27Å; N358-V362 PolarHBondContact O-N 3.24Å; N358-V362 VanDerWaalsContact O-N 3.07Å
359	Y	98.4	Very high	96.9	Very high	12 Å²	12	14.1 Å²	14.1	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-65.9	-46.6	173.2	-51	-49.9	0	0	0	110.4	M267 A270 E271 T274 N275 D356 H357 A361 V362 C363 A414	M267-Y359 HydrophobicContact CE-CD1 4.29Å; A270-Y359 HydrophobicContact CB-CD1 3.77Å; A270-Y359 HydrophobicContact CB-CE1 4.12Å; E271-Y359 HydrophobicContact CB-CE1 4.2Å; E271-Y359 PolarHBondContact OE1-OH 3.37Å; E271-Y359 PolarHBondContact OE2-OH 3.24Å; T274-Y359 HydrophobicContact CG2-CE2 4.36Å; N275-Y359 PolarHBondContact ND2-OH 2.69Å; D356-Y359 HydrophobicContact CB-CD2 3.98Å; D356-Y359 WeakPolarHBondContact O-CA 3.39Å; D356-Y359 WeakPolarHBondContact O-CB 3.24Å; D356-Y359 PolarHBondContact O-N 2.89Å; H357-Y359 VanDerWaalsContact C-N 3.35Å; H357-Y359 PolarHBondContact O-N 2.79Å; Y359-A361 VanDerWaalsContact C-N 3.32Å; Y359-A361 PolarHBondContact O-N 2.93Å; Y359-V362 PolarHBondContact O-N 3.17Å; Y359-C363 VanDerWaalsContact O-CB 3.25Å; Y359-C363 WeakPolarHBondContact O-CB 3.29Å; Y359-C363 PolarHBondContact O-N 3.43Å; Y359-C363 PolarHBondContact O-SG 3.34Å; Y359-A414 HydrophobicContact CD1-CB 3.98Å; Y359-A414 HydrophobicContact CD2-CB 4.19Å; Y359-A414 HydrophobicContact CG-CB 3.75Å
360	Y	97.8	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.3	-49	175.9	170.5	-127.5	0	0	0	110.8	S331 R332 E334 L342 D356 H357 V362 C363 Q364	S331-Y360 VanDerWaalsContact CB-CD1 3.42Å; R332-Y360 PolarHBondContact O-OH 3.19Å; E334-Y360 PolarHBondContact N-OH 3.37Å; L342-Y360 HydrophobicContact CB-CE1 4.28Å; L342-Y360 HydrophobicContact CD2-CD1 4.13Å; L342-Y360 HydrophobicContact CD2-CE1 3.79Å; D356-Y360 PolarHBondContact O-N 2.83Å; H357-Y360 WeakPolarHBondContact O-CB 3.21Å; H357-Y360 PolarHBondContact O-N 3.24Å; Y360-V362 PolarHBondContact O-N 3.43Å; Y360-C363 PolarHBondContact O-N 3.38Å; Y360-Q364 HydrophobicContact CD2-CB 4.2Å; Y360-Q364 HydrophobicContact CE2-CB 3.85Å; Y360-Q364 HydrophobicContact CE2-CG 4.18Å; Y360-Q364 WeakPolarHBondContact O-CB 3.34Å; Y360-Q364 PolarHBondContact O-N 2.78Å
361	A	96.8	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.5	-43.5	-175.9	0	0	0	0	0	113	V287 L342 H357 Y359 N365	V287-A361 HydrophobicContact CB-CB 4.12Å; V287-A361 HydrophobicContact CG2-CB 3.69Å; L342-A361 HydrophobicContact CD1-CB 3.72Å; L342-A361 VanDerWaalsContact CD2-CA 3.5Å; L342-A361 HydrophobicContact CD2-CB 3.74Å; L342-A361 HydrophobicContact CG-CB 4.41Å; H357-A361 WeakPolarHBondContact O-CB 3.48Å; H357-A361 PolarHBondContact O-N 3.46Å; Y359-A361 VanDerWaalsContact C-N 3.32Å; Y359-A361 PolarHBondContact O-N 2.93Å; A361-N365 WeakPolarHBondContact O-CB 3.35Å; A361-N365 PolarHBondContact O-N 2.9Å
362	V	97.8	Very high	95.7	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.024	8%	0.082	C	C	.	.	H	α-helix	trans	-66.9	-47	175.6	168.5	0	0	0	0	111.3	L266 M267 A270 N358 Y359 Y360 L366 L367	L266-V362 HydrophobicContact CB-CG1 3.8Å; M267-V362 HydrophobicContact SD-CB 4.46Å; M267-V362 HydrophobicContact SD-CG1 3.76Å; A270-V362 HydrophobicContact CB-CG2 4.08Å; N358-V362 WeakPolarHBondContact O-CG2 3.27Å; N358-V362 PolarHBondContact O-N 3.24Å; N358-V362 VanDerWaalsContact O-N 3.07Å; Y359-V362 PolarHBondContact O-N 3.17Å; Y360-V362 PolarHBondContact O-N 3.43Å; V362-L366 HydrophobicContact CG2-CD1 4.4Å; V362-L366 WeakPolarHBondContact O-CA 3.5Å; V362-L366 WeakPolarHBondContact O-CB 3.18Å; V362-L366 PolarHBondContact O-N 3.39Å; V362-L367 HydrophobicContact CG1-CD1 3.7Å; V362-L367 HydrophobicContact CG1-CG 3.84Å; V362-L367 PolarHBondContact O-N 3.05Å
363	C	97.1	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-63.7	-47.1	-179.1	-75.3	0	0	0	0	112.2	Y359 Y360 S368 C401 T402	Y359-C363 VanDerWaalsContact O-CB 3.25Å; Y359-C363 WeakPolarHBondContact O-CB 3.29Å; Y359-C363 PolarHBondContact O-N 3.43Å; Y359-C363 PolarHBondContact O-SG 3.34Å; Y360-C363 PolarHBondContact O-N 3.38Å; C363-S368 WeakPolarHBondContact O-CB 3.42Å; C363-S368 PolarHBondContact O-N 3.02Å; C363-S368 PolarHBondContact O-OG 3.42Å; C363-C401 HydrophobicContact CB-CB 3.73Å; C363-C401 WeakPolarHBondContact CB-SG 3.36Å; C363-C401 WeakPolarHBondContact SG-CB 3.18Å; C363-C401 CovalentContact SG-SG 2.03Å; C363-C401 PolarHBondContact SG-SG 3.04Å; C363-T402 PolarHBondContact O-OG1 3.47Å
364	Q	94.8	Very high	94.6	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.028	10%	0.098	C	C	.	.	I	π-helix	trans	-62.6	-56.8	178.2	178.6	83.5	23.1	0	0	111.4	E334 L342 Y360 S368 A371 T402	E334-Q364 PolarHBondContact O-NE2 3.39Å; L342-Q364 HydrophobicContact CD2-CB 4.44Å; Y360-Q364 HydrophobicContact CD2-CB 4.2Å; Y360-Q364 HydrophobicContact CE2-CB 3.85Å; Y360-Q364 HydrophobicContact CE2-CG 4.18Å; Y360-Q364 WeakPolarHBondContact O-CB 3.34Å; Y360-Q364 PolarHBondContact O-N 2.78Å; Q364-S368 PolarHBondContact O-OG 2.98Å; Q364-A371 VanDerWaalsContact O-CA 3.31Å; Q364-A371 WeakPolarHBondContact O-CA 3.4Å; Q364-A371 WeakPolarHBondContact O-CB 3.38Å; Q364-A371 PolarHBondContact O-N 3.38Å; Q364-T402 HydrophobicContact CB-CG2 4.08Å; Q364-T402 HydrophobicContact CG-CG2 4.49Å
365	N	94.9	Very high	93.9	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.053	12%	0.123	C	C	.	.	I	π-helix	trans	-93.7	-17.6	-163.4	-68.3	-16.6	0	0	0	114.4	V287 A340 C341 L342 A361 A371	V287-N365 HydrophobicContact CG1-CB 4.36Å; V287-N365 WeakPolarHBondContact O-CB 3.34Å; V287-N365 PolarHBondContact O-ND2 3.21Å; A340-N365 WeakPolarHBondContact CA-ND2 3.38Å; C341-N365 PolarHBondContact O-OD1 3Å; L342-N365 WeakPolarHBondContact CD2-ND2 3.42Å; L342-N365 WeakPolarHBondContact CG-ND2 3.04Å; A361-N365 WeakPolarHBondContact O-CB 3.35Å; A361-N365 PolarHBondContact O-N 2.9Å; N365-A371 VanDerWaalsContact C-CB 3.43Å; N365-A371 WeakPolarHBondContact O-CB 3.12Å
366	L	96.4	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-121.6	-30.1	-174.1	-56.9	178.1	0	0	0	114.1	L248 L266 V287 F289 F292 V362 G379 L380	L248-L366 HydrophobicContact CD2-CD1 4.4Å; L248-L366 HydrophobicContact CD2-CD2 4.27Å; L266-L366 HydrophobicContact CD1-CB 4.27Å; L266-L366 HydrophobicContact CD1-CD1 3.94Å; L266-L366 HydrophobicContact CD2-CD1 3.83Å; L266-L366 HydrophobicContact CG-CD1 4.44Å; V287-L366 HydrophobicContact CG1-CD1 3.72Å; V287-L366 HydrophobicContact CG1-CD2 4.4Å; V287-L366 HydrophobicContact CG1-CG 3.88Å; F289-L366 HydrophobicContact CD2-CD2 4.04Å; F289-L366 HydrophobicContact CE2-CD2 4.2Å; F289-L366 HydrophobicContact CG-CD2 4.2Å; F292-L366 HydrophobicContact CD2-CD1 4.11Å; F292-L366 HydrophobicContact CE2-CD1 3.65Å; F292-L366 HydrophobicContact CZ-CD1 4.11Å; V362-L366 HydrophobicContact CG2-CD1 4.4Å; V362-L366 WeakPolarHBondContact O-CA 3.5Å; V362-L366 WeakPolarHBondContact O-CB 3.18Å; V362-L366 PolarHBondContact O-N 3.39Å; L366-G379 CarbonylContact O-C 3.59Å; L366-G379 VanDerWaalsContact O-CA 3.24Å; L366-G379 WeakPolarHBondContact O-CA 3.5Å; L366-L380 PolarHBondContact O-N 2.77Å
367	L	96.8	Very high	92.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-111.4	-40.5	-167.8	-57	-171.4	0	0	0	114.4	A263 L266 M267 V362 L380 L381 L398 L417	A263-L367 HydrophobicContact CB-CD2 3.56Å; L266-L367 HydrophobicContact CD1-CD2 4.03Å; M267-L367 HydrophobicContact CG-CD1 3.91Å; M267-L367 HydrophobicContact SD-CD1 3.68Å; V362-L367 HydrophobicContact CG1-CD1 3.7Å; V362-L367 HydrophobicContact CG1-CG 3.84Å; V362-L367 PolarHBondContact O-N 3.05Å; L367-L380 HydrophobicContact CD2-CB 4.24Å; L367-L380 HydrophobicContact CD2-CD1 4.33Å; L367-L381 HydrophobicContact CB-CD1 4.19Å; L367-L381 HydrophobicContact CD2-CD1 4.47Å; L367-L398 HydrophobicContact CB-CD2 3.82Å; L367-L417 HydrophobicContact CD1-CD2 4.38Å
368	S	94	Very high	92.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.17	C	C	.	.	S	Bend	trans	-84.8	171.7	-171.2	71.7	0	0	0	0	113.5	C363 Q364 Y370 A371 G378 G379 T402	C363-S368 WeakPolarHBondContact O-CB 3.42Å; C363-S368 PolarHBondContact O-N 3.02Å; C363-S368 PolarHBondContact O-OG 3.42Å; Q364-S368 PolarHBondContact O-OG 2.98Å; S368-Y370 PolarHBondContact O-N 3.02Å; S368-Y370 VanDerWaalsContact O-N 3.16Å; S368-Y370 PolarHBondContact OG-N 3.32Å; S368-A371 VanDerWaalsContact O-CB 3.27Å; S368-A371 WeakPolarHBondContact O-CB 3.45Å; S368-A371 PolarHBondContact O-N 2.95Å; S368-A371 VanDerWaalsContact O-N 3.11Å; S368-G378 CarbonylContact O-C 3.58Å; S368-G379 PolarHBondContact O-N 3.09Å; S368-T402 VanDerWaalsContact CB-OG1 3.29Å; S368-T402 WeakPolarHBondContact CB-OG1 3.11Å; S368-T402 PolarHBondContact OG-OG1 3.46Å
369	Q	91.7	Very high	92.2	Very high	101 Å²	101	30.7 Å²	30.7	47%	0.472	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.9	175	60.5	-177.9	-36	0	0	114.2	A371 D399	Q369-A371 VanDerWaalsContact C-N 3.29Å; Q369-D399 PolarHBondContact NE2-OD1 2.91Å; Q369-D399 VanDerWaalsContact NE2-OD1 3.08Å
370	Y	90.5	Very high	92.1	Very high	71 Å²	71	30.1 Å²	30.1	28%	0.278	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.6	-180	-54.4	-78.7	0	0	0	113.1	F333 S368 T372 T402	F333-Y370 HydrophobicContact CE2-CD1 4.09Å; F333-Y370 HydrophobicContact CE2-CD2 4.28Å; F333-Y370 HydrophobicContact CE2-CE1 4.28Å; F333-Y370 HydrophobicContact CE2-CE2 4.48Å; F333-Y370 HydrophobicContact CE2-CG 4.08Å; F333-Y370 AromaticContact CZ-CD1 3.9Å; F333-Y370 HydrophobicContact CZ-CD1 3.9Å; F333-Y370 AromaticContact CZ-CE1 3.89Å; F333-Y370 HydrophobicContact CZ-CE1 3.89Å; F333-Y370 HydrophobicContact CZ-CG 4.37Å; S368-Y370 PolarHBondContact O-N 3.02Å; S368-Y370 VanDerWaalsContact O-N 3.16Å; S368-Y370 PolarHBondContact OG-N 3.32Å; Y370-T372 PolarHBondContact O-N 3.37Å; Y370-T372 PolarHBondContact O-OG1 3.34Å; Y370-T402 HydrophobicContact CD2-CG2 3.66Å; Y370-T402 HydrophobicContact CE2-CG2 4.19Å; Y370-T402 HydrophobicContact CG-CG2 4.4Å
371	A	91.2	Very high	92	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	17%	0.17	C	C	.	.			trans	-63.6	118.5	177.7	0	0	0	0	0	109.9	Q364 N365 S368 Q369 T377 G378	Q364-A371 VanDerWaalsContact O-CA 3.31Å; Q364-A371 WeakPolarHBondContact O-CA 3.4Å; Q364-A371 WeakPolarHBondContact O-CB 3.38Å; Q364-A371 PolarHBondContact O-N 3.38Å; N365-A371 VanDerWaalsContact C-CB 3.43Å; N365-A371 WeakPolarHBondContact O-CB 3.12Å; S368-A371 VanDerWaalsContact O-CB 3.27Å; S368-A371 WeakPolarHBondContact O-CB 3.45Å; S368-A371 PolarHBondContact O-N 2.95Å; S368-A371 VanDerWaalsContact O-N 3.11Å; Q369-A371 VanDerWaalsContact C-N 3.29Å; A371-T377 CarbonylContact O-C 3.58Å; A371-T377 WeakPolarHBondContact O-CA 3.43Å; A371-G378 PolarHBondContact O-N 3.25Å
372	T	87.8	Confident	91.9	Very high	36 Å²	36	31.5 Å²	31.5	22%	0.221	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.2	179.9	-59.6	0	0	0	0	109.8	Y370 T376	Y370-T372 PolarHBondContact O-N 3.37Å; Y370-T372 PolarHBondContact O-OG1 3.34Å; T372-T376 CarbonylContact C-O 3.38Å; T372-T376 WeakPolarHBondContact CA-O 3.09Å
373	W	86.6	Confident	91.8	Very high	21 Å²	21	37.7 Å²	37.7	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	127.7	177.1	-169.9	-103.1	0	0	0	111.7	W249 S288 F289 D290 E339 G375 T376	W249-W373 AromaticContact CD2-CD1 3.41Å; W249-W373 VanDerWaalsContact CD2-CD1 3.41Å; W249-W373 AromaticContact CD2-NE1 3.81Å; W249-W373 AromaticContact CE2-CD1 3.9Å; W249-W373 HydrophobicContact CE3-CB 4.34Å; W249-W373 AromaticContact CE3-CD1 3.22Å; W249-W373 HydrophobicContact CE3-CG 4.05Å; W249-W373 AromaticContact CE3-NE1 3.98Å; W249-W373 AromaticContact CG-NE1 3.89Å; W249-W373 AromaticContact CH2-CD1 3.99Å; W249-W373 HydrophobicContact CZ3-CB 3.95Å; W249-W373 AromaticContact CZ3-CD1 3.53Å; W249-W373 HydrophobicContact CZ3-CG 4.11Å; S288-W373 WeakPolarHBondContact OG-CH2 3.34Å; S288-W373 WeakPolarHBondContact OG-CZ3 3.45Å; F289-W373 HydrophobicContact CB-CD2 4.35Å; F289-W373 HydrophobicContact CB-CG 4.4Å; F289-W373 HydrophobicContact CD2-CB 3.75Å; F289-W373 HydrophobicContact CD2-CD2 4.18Å; F289-W373 AromaticContact CD2-CG 3.75Å; F289-W373 HydrophobicContact CD2-CG 3.75Å; F289-W373 HydrophobicContact CE2-CB 4.03Å; F289-W373 HydrophobicContact CE2-CG 4.49Å; F289-W373 HydrophobicContact CG-CG 4.39Å; D290-W373 HydrophobicContact CB-CH2 4.26Å; D290-W373 HydrophobicContact CB-CZ2 4.01Å; E339-W373 HydrophobicContact CB-CE3 4.04Å; E339-W373 HydrophobicContact CB-CZ3 4.16Å; E339-W373 HydrophobicContact CG-CE3 4.07Å; E339-W373 HydrophobicContact CG-CZ3 4.49Å; E339-W373 WeakPolarHBondContact OE2-CZ3 3.43Å; W373-G375 PolarHBondContact O-N 2.9Å; W373-G375 VanDerWaalsContact O-N 3.17Å; W373-T376 PolarHBondContact N-O 3.09Å; W373-T376 WeakPolarHBondContact O-CB 3.38Å; W373-T376 PolarHBondContact O-N 3.27Å
374	R	84.9	Confident	91.7	Very high	148 Å²	148	39.7 Å²	39.7	56%	0.558	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.6	179.3	-63.8	-179.9	-179.5	-178	5.2	113.7	W249 E339 T376	W249-R374 HydrophobicContact CZ2-CB 4.41Å; E339-R374 WeakPolarHBondContact OE1-CA 3.3Å; E339-R374 PolarHBondContact OE1-N 2.9Å; R374-T376 VanDerWaalsContact C-N 3.31Å
375	G	83.1	Confident	91.7	Very high	76 Å²	76	41.2 Å²	41.2	78%	0.784	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	5	-179.3	0	0	0	0	0	115.1	W373	W373-G375 PolarHBondContact O-N 2.9Å; W373-G375 VanDerWaalsContact O-N 3.17Å
376	T	85.8	Confident	91.6	Very high	52 Å²	52	44.8 Å²	44.8	32%	0.319	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.2	174.4	-51.7	0	0	0	0	110.4	W249 Y252 T372 W373 R374	W249-T376 HydrophobicContact CH2-CG2 4.42Å; Y252-T376 HydrophobicContact CE1-CG2 3.59Å; Y252-T376 HydrophobicContact CE2-CG2 4.32Å; Y252-T376 VanDerWaalsContact CZ-CG2 3.46Å; Y252-T376 VanDerWaalsContact OH-CG2 3.27Å; Y252-T376 WeakPolarHBondContact OH-CG2 3.25Å; T372-T376 CarbonylContact C-O 3.38Å; T372-T376 WeakPolarHBondContact CA-O 3.09Å; W373-T376 PolarHBondContact N-O 3.09Å; W373-T376 WeakPolarHBondContact O-CB 3.38Å; W373-T376 PolarHBondContact O-N 3.27Å; R374-T376 VanDerWaalsContact C-N 3.31Å
377	T	87.9	Confident	91.4	Very high	94 Å²	94	51.3 Å²	51.3	58%	0.577	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.6	176.1	56.5	0	0	0	0	110.7	Y252 A371	Y252-T377 PolarHBondContact OH-O 3.12Å; A371-T377 CarbonylContact O-C 3.58Å; A371-T377 WeakPolarHBondContact O-CA 3.43Å
378	G	87.7	Confident	91.2	Very high	10 Å²	10	52 Å²	52	10%	0.103	30%	0.296	C	S	.	.	S	Bend	trans	130.5	-5.5	169.4	0	0	0	0	0	116.8	S368 A371 H382	S368-G378 CarbonylContact O-C 3.58Å; A371-G378 PolarHBondContact O-N 3.25Å; G378-H382 WeakPolarHBondContact O-CB 3.49Å; G378-H382 PolarHBondContact O-N 3.4Å
379	G	93.7	Very high	91.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	32%	0.315	C	S	.	.			trans	59.1	-168	179.5	0	0	0	0	0	113.3	Y252 L366 S368 L381 H382	Y252-G379 WeakPolarHBondContact CE2-O 3.29Å; L366-G379 CarbonylContact O-C 3.59Å; L366-G379 VanDerWaalsContact O-CA 3.24Å; L366-G379 WeakPolarHBondContact O-CA 3.5Å; S368-G379 PolarHBondContact O-N 3.09Å; G379-L381 VanDerWaalsContact C-N 3.26Å; G379-L381 PolarHBondContact O-N 3.36Å; G379-H382 PolarHBondContact O-ND1 2.88Å
380	L	96.1	Very high	91	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.5	177.3	-78.1	176.7	0	0	0	113.2	L248 R259 L262 L266 F289 L366 L367	L248-L380 HydrophobicContact CD1-CD1 4.03Å; L248-L380 HydrophobicContact CD2-CD1 4.01Å; L248-L380 HydrophobicContact CG-CD1 4.14Å; R259-L380 WeakPolarHBondContact CB-O 3.47Å; R259-L380 WeakPolarHBondContact CD-O 3.5Å; R259-L380 PolarHBondContact NH1-O 2.97Å; L262-L380 HydrophobicContact CB-CD1 4.26Å; L266-L380 HydrophobicContact CD1-CD1 3.55Å; F289-L380 HydrophobicContact CE1-CD2 3.83Å; F289-L380 HydrophobicContact CE1-CG 3.82Å; F289-L380 HydrophobicContact CZ-CG 4.38Å; L366-L380 PolarHBondContact O-N 2.77Å; L367-L380 HydrophobicContact CD2-CB 4.24Å; L367-L380 HydrophobicContact CD2-CD1 4.33Å
381	L	96.6	Very high	90.9	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	20.1	-173.2	-61.6	174.7	0	0	0	113.1	W256 V260 A263 L367 G379 L394 L398 L421	W256-L381 HydrophobicContact CH2-CB 4.01Å; W256-L381 HydrophobicContact CH2-CD2 3.89Å; W256-L381 WeakPolarHBondContact CH2-O 3.31Å; W256-L381 HydrophobicContact CZ2-CD2 4.41Å; W256-L381 HydrophobicContact CZ3-CB 4.34Å; W256-L381 HydrophobicContact CZ3-CD2 4.31Å; W256-L381 WeakPolarHBondContact CZ3-O 3.35Å; V260-L381 HydrophobicContact CG2-CD2 4.05Å; A263-L381 HydrophobicContact CB-CD1 4Å; A263-L381 HydrophobicContact CB-CD2 3.73Å; A263-L381 HydrophobicContact CB-CG 3.97Å; L367-L381 HydrophobicContact CB-CD1 4.19Å; L367-L381 HydrophobicContact CD2-CD1 4.47Å; G379-L381 VanDerWaalsContact C-N 3.26Å; G379-L381 PolarHBondContact O-N 3.36Å; L381-L394 HydrophobicContact CD1-CD1 4.27Å; L381-L398 HydrophobicContact CB-CD1 4.13Å; L381-L398 HydrophobicContact CD1-CD1 4.1Å; L381-L398 HydrophobicContact CD1-CD2 3.95Å; L381-L421 HydrophobicContact CD1-CD2 4.03Å; L381-L421 HydrophobicContact CD2-CD2 4.18Å
382	H	95.1	Very high	91	Very high	23 Å²	23	62.1 Å²	62.1	11%	0.106	36%	0.363	C	S	.	.			trans	-63.8	155.2	171.3	64.8	-90.1	0	0	0	113	Y252 W256 R259 G378 G379	Y252-H382 AromaticContact CD1-CE1 3.59Å; Y252-H382 AromaticContact CE1-CE1 3.19Å; Y252-H382 WeakPolarHBondContact CE1-CE1 3.49Å; Y252-H382 AromaticContact CE1-ND1 3.77Å; Y252-H382 AromaticContact CE1-NE2 3.66Å; Y252-H382 AromaticContact CE2-CE1 3.72Å; Y252-H382 AromaticContact CE2-ND1 3.69Å; Y252-H382 AromaticContact CG-CE1 3.98Å; Y252-H382 AromaticContact CZ-CE1 3.25Å; Y252-H382 AromaticContact CZ-ND1 3.33Å; Y252-H382 VanDerWaalsContact CZ-ND1 3.33Å; Y252-H382 PolarHBondContact O-CE1 3.37Å; Y252-H382 PolarHBondContact OH-ND1 2.97Å; W256-H382 VanDerWaalsContact CZ3-O 3.31Å; W256-H382 WeakPolarHBondContact CZ3-O 3.39Å; R259-H382 PolarHBondContact NH1-O 3.32Å; R259-H382 PolarHBondContact NH2-O 2.97Å; R259-H382 VanDerWaalsContact NH2-O 3.11Å; G378-H382 WeakPolarHBondContact O-CB 3.49Å; G378-H382 PolarHBondContact O-N 3.4Å; G379-H382 PolarHBondContact O-ND1 2.88Å
383	D	94.2	Very high	91.4	Very high	133 Å²	133	64.3 Å²	64.3	71%	0.711	37%	0.37	S	S	*	.	S	Bend	trans	48.3	57.5	175.4	-57.4	-34.2	0	0	0	113.9
384	P	95.3	Very high	91.8	Very high	43 Å²	43	63.7 Å²	63.7	28%	0.279	37%	0.369	S	S	.	.			trans	-62.7	149.6	175.2	26.5	-33.7	0	0	0	111.3	W256 I388 A389 L394	W256-P384 HydrophobicContact CH2-CB 3.57Å; W256-P384 HydrophobicContact CZ2-CB 3.67Å; W256-P384 HydrophobicContact CZ3-CB 4.06Å; P384-I388 HydrophobicContact CB-CB 4.24Å; P384-I388 HydrophobicContact CB-CG2 4.06Å; P384-A389 HydrophobicContact CG-CB 4.14Å; P384-L394 HydrophobicContact CB-CD2 4.3Å
385	P	95.2	Very high	92.3	Very high	37 Å²	37	62.2 Å²	62.2	24%	0.24	37%	0.368	C	S	.	.			trans	-53.6	146.4	171.6	-26.9	34.7	0	0	0	112.3	W256 H387 I388 A389	W256-P385 HydrophobicContact CB-CG 4.27Å; W256-P385 VanDerWaalsContact CD1-CD 3.43Å; W256-P385 VanDerWaalsContact CD2-CD 3.48Å; W256-P385 HydrophobicContact CD2-CG 4.34Å; W256-P385 VanDerWaalsContact CG-CD 3.45Å; W256-P385 HydrophobicContact CG-CG 3.78Å; P385-H387 VanDerWaalsContact CB-CE1 3.44Å; P385-H387 WeakPolarHBondContact CB-CE1 3.29Å; P385-H387 PolarHBondContact O-N 2.84Å; P385-I388 HydrophobicContact CB-CG1 4.41Å; P385-I388 WeakPolarHBondContact O-CA 3.39Å; P385-I388 WeakPolarHBondContact O-CB 3.47Å; P385-I388 PolarHBondContact O-N 3.21Å; P385-A389 PolarHBondContact O-N 3.45Å
386	A	94.2	Very high	92.9	Very high	85 Å²	85	61.5 Å²	61.5	70%	0.702	35%	0.354	S	S	*	.	H	α-helix	trans	-54	-34.1	-173.8	0	0	0	0	0	114.3	I388 A389 K390	A386-I388 VanDerWaalsContact C-N 3.34Å; A386-A389 PolarHBondContact O-N 2.89Å; A386-K390 WeakPolarHBondContact O-CB 3.34Å; A386-K390 PolarHBondContact O-N 3.43Å
387	H	91.1	Very high	93.5	Very high	137 Å²	137	59.6 Å²	59.6	63%	0.634	34%	0.343	S	S	*	.	H	α-helix	trans	-71.2	-27.3	177.7	68.8	-87.4	0	0	0	113.4	P385	P385-H387 VanDerWaalsContact CB-CE1 3.44Å; P385-H387 WeakPolarHBondContact CB-CE1 3.29Å; P385-H387 PolarHBondContact O-N 2.84Å
388	I	93.1	Very high	93.9	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.082	32%	0.319	C	S	.	.	H	α-helix	trans	-80	-40.7	173.2	-59.6	-55.9	0	0	0	110.2	W256 P384 P385 A386 K390 L394 L424	W256-I388 HydrophobicContact CZ2-CG2 4.41Å; P384-I388 HydrophobicContact CB-CB 4.24Å; P384-I388 HydrophobicContact CB-CG2 4.06Å; P385-I388 HydrophobicContact CB-CG1 4.41Å; P385-I388 WeakPolarHBondContact O-CA 3.39Å; P385-I388 WeakPolarHBondContact O-CB 3.47Å; P385-I388 PolarHBondContact O-N 3.21Å; A386-I388 VanDerWaalsContact C-N 3.34Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 2.7Å; I388-L394 HydrophobicContact CG2-CB 4.44Å; I388-L394 HydrophobicContact CG2-CD2 4.07Å; I388-L424 HydrophobicContact CD1-CD2 3.54Å
389	A	91.9	Very high	94.3	Very high	50 Å²	50	56.7 Å²	56.7	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-32.4	179.7	0	0	0	0	0	112.9	P384 P385 A386 D391 G392	P384-A389 HydrophobicContact CG-CB 4.14Å; P385-A389 PolarHBondContact O-N 3.45Å; A386-A389 PolarHBondContact O-N 2.89Å; A389-D391 VanDerWaalsContact C-N 3.3Å; A389-D391 PolarHBondContact O-N 2.83Å; A389-G392 PolarHBondContact O-N 2.93Å; A389-G392 VanDerWaalsContact O-N 3.08Å
390	K	89.9	Confident	94.4	Very high	178 Å²	178	58 Å²	58	77%	0.774	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-41.1	-169.6	-168.9	-178	179.3	-173.1	0	114.5	A386 I388	A386-K390 WeakPolarHBondContact O-CB 3.34Å; A386-K390 PolarHBondContact O-N 3.43Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 2.7Å
391	D	87.1	Confident	94.5	Very high	130 Å²	130	58 Å²	58	70%	0.695	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.2	-173.7	-61.9	-18.5	0	0	0	112.5	A389 Q393	A389-D391 VanDerWaalsContact C-N 3.3Å; A389-D391 PolarHBondContact O-N 2.83Å; D391-Q393 PolarHBondContact O-N 2.86Å
392	G	93.3	Very high	94.4	Very high	28 Å²	28	57.7 Å²	57.7	29%	0.289	33%	0.325	S	S	.	.			trans	64.2	2.2	179.3	0	0	0	0	0	115.3	A389 L394 E395 A396	A389-G392 PolarHBondContact O-N 2.93Å; A389-G392 VanDerWaalsContact O-N 3.08Å; G392-L394 PolarHBondContact O-N 2.76Å; G392-E395 PolarHBondContact O-N 3.02Å; G392-A396 WeakPolarHBondContact O-CB 3.33Å; G392-A396 PolarHBondContact O-N 3.01Å
393	Q	95.8	Very high	94.3	Very high	82 Å²	82	61 Å²	61	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-44	-174.5	179.9	172.1	19	0	0	112.4	D391 A396 L397 Y420	D391-Q393 PolarHBondContact O-N 2.86Å; Q393-A396 PolarHBondContact O-N 3.11Å; Q393-L397 HydrophobicContact CG-CD1 3.97Å; Q393-L397 WeakPolarHBondContact O-CB 3.43Å; Q393-L397 VanDerWaalsContact O-CG 3.31Å; Q393-L397 WeakPolarHBondContact O-CG 3.36Å; Q393-L397 PolarHBondContact O-N 3.01Å; Q393-Y420 HydrophobicContact CG-CD2 4.38Å; Q393-Y420 HydrophobicContact CG-CE2 4.15Å; Q393-Y420 VanDerWaalsContact OE1-CE2 3.24Å
394	L	95.9	Very high	94.3	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-46.5	-179.6	179.1	58.5	0	0	0	111.6	W256 L381 P384 I388 G392 L397 L398 L417 Y420	W256-L394 HydrophobicContact CH2-CD2 3.73Å; W256-L394 HydrophobicContact CZ2-CD2 3.76Å; L381-L394 HydrophobicContact CD1-CD1 4.27Å; P384-L394 HydrophobicContact CB-CD2 4.3Å; I388-L394 HydrophobicContact CG2-CB 4.44Å; I388-L394 HydrophobicContact CG2-CD2 4.07Å; G392-L394 PolarHBondContact O-N 2.76Å; L394-L397 PolarHBondContact O-N 3.28Å; L394-L398 HydrophobicContact CD1-CD1 3.99Å; L394-L398 HydrophobicContact CD1-CG 4.22Å; L394-L398 HydrophobicContact CG-CD1 3.95Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 WeakPolarHBondContact O-CG 3.19Å; L394-L398 PolarHBondContact O-N 3.06Å; L394-L417 HydrophobicContact CD1-CD1 3.86Å; L394-Y420 HydrophobicContact CB-CE1 3.95Å; L394-Y420 HydrophobicContact CD1-CD1 4.15Å; L394-Y420 HydrophobicContact CD1-CE1 4.03Å; L394-Y420 HydrophobicContact CG-CE1 4.48Å
395	E	95.7	Very high	94.2	Very high	116 Å²	116	62.1 Å²	62.1	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-45.3	178.8	-173.8	178.1	-177.9	0	0	110.9	G392 L397 L398 D399	G392-E395 PolarHBondContact O-N 3.02Å; E395-L397 VanDerWaalsContact C-N 3.33Å; E395-L397 PolarHBondContact O-N 2.99Å; E395-L398 PolarHBondContact O-N 3.27Å; E395-D399 WeakPolarHBondContact O-CB 3.06Å; E395-D399 PolarHBondContact O-N 2.92Å
396	A	96.1	Very high	94.1	Very high	61 Å²	61	67.8 Å²	67.8	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-60.6	-40.2	177.2	0	0	0	0	0	112.8	G392 Q393 E400	G392-A396 WeakPolarHBondContact O-CB 3.33Å; G392-A396 PolarHBondContact O-N 3.01Å; Q393-A396 PolarHBondContact O-N 3.11Å; A396-E400 WeakPolarHBondContact O-CB 3.38Å; A396-E400 PolarHBondContact O-N 3.18Å
397	L	97.4	Very high	94	Very high	13 Å²	13	73 Å²	73	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-68.9	-41.6	176.8	-73.4	171.2	0	0	0	112.1	Q393 L394 E395 C401 E416 L417 Y420	Q393-L397 HydrophobicContact CG-CD1 3.97Å; Q393-L397 WeakPolarHBondContact O-CB 3.43Å; Q393-L397 VanDerWaalsContact O-CG 3.31Å; Q393-L397 WeakPolarHBondContact O-CG 3.36Å; Q393-L397 PolarHBondContact O-N 3.01Å; L394-L397 PolarHBondContact O-N 3.28Å; E395-L397 VanDerWaalsContact C-N 3.33Å; E395-L397 PolarHBondContact O-N 2.99Å; L397-C401 VanDerWaalsContact O-CB 3.22Å; L397-C401 WeakPolarHBondContact O-CB 3.49Å; L397-C401 PolarHBondContact O-N 3.02Å; L397-E416 HydrophobicContact CD2-CB 3.61Å; L397-L417 HydrophobicContact CB-CB 4.3Å; L397-L417 HydrophobicContact CB-CD1 4.1Å; L397-Y420 HydrophobicContact CD1-CD1 4.4Å; L397-Y420 HydrophobicContact CD1-CG 4.17Å
398	L	96.8	Very high	94.2	Very high	14 Å²	14	69.2 Å²	69.2	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-43.9	177	-73.2	170.2	0	0	0	111.6	L367 L381 L394 E395 C401 T402 L417	L367-L398 HydrophobicContact CB-CD2 3.82Å; L381-L398 HydrophobicContact CB-CD1 4.13Å; L381-L398 HydrophobicContact CD1-CD1 4.1Å; L381-L398 HydrophobicContact CD1-CD2 3.95Å; L394-L398 HydrophobicContact CD1-CD1 3.99Å; L394-L398 HydrophobicContact CD1-CG 4.22Å; L394-L398 HydrophobicContact CG-CD1 3.95Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 WeakPolarHBondContact O-CG 3.19Å; L394-L398 PolarHBondContact O-N 3.06Å; E395-L398 PolarHBondContact O-N 3.27Å; L398-C401 PolarHBondContact O-N 2.75Å; L398-T402 WeakPolarHBondContact O-CB 3.48Å; L398-T402 PolarHBondContact O-N 3.28Å; L398-T402 PolarHBondContact O-OG1 2.87Å; L398-T402 VanDerWaalsContact O-OG1 3.12Å; L398-L417 HydrophobicContact CD2-CD1 4.25Å; L398-L417 HydrophobicContact CD2-CD2 3.72Å; L398-L417 HydrophobicContact CG-CD1 4.42Å
399	D	95.4	Very high	94.3	Very high	29 Å²	29	68.9 Å²	68.9	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-45.5	177.4	-87.3	-3.1	0	0	0	111.6	Q369 E395 C401 T402 K403	Q369-D399 PolarHBondContact NE2-OD1 2.91Å; Q369-D399 VanDerWaalsContact NE2-OD1 3.08Å; E395-D399 WeakPolarHBondContact O-CB 3.06Å; E395-D399 PolarHBondContact O-N 2.92Å; D399-C401 VanDerWaalsContact C-N 3.33Å; D399-T402 PolarHBondContact O-N 3.32Å; D399-K403 CarbonylContact O-C 3.35Å; D399-K403 VanDerWaalsContact O-C 3.28Å; D399-K403 WeakPolarHBondContact O-CA 3.41Å; D399-K403 PolarHBondContact O-N 2.82Å
400	E	96.7	Very high	94.6	Very high	29 Å²	29	66.5 Å²	66.5	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-69.2	-32.8	177.4	-168.1	68	-166	0	0	111.7	A396 T402 P404 K405 K406 G409 A413	A396-E400 WeakPolarHBondContact O-CB 3.38Å; A396-E400 PolarHBondContact O-N 3.18Å; E400-T402 VanDerWaalsContact C-N 3.35Å; E400-P404 WeakPolarHBondContact O-CA 3.39Å; E400-K405 VanDerWaalsContact CD-N 3.33Å; E400-K405 PolarHBondContact OE1-N 3.39Å; E400-K405 VanDerWaalsContact OE1-N 3.12Å; E400-K405 WeakPolarHBondContact OE2-CB 3.46Å; E400-K405 PolarHBondContact OE2-N 2.85Å; E400-K406 WeakPolarHBondContact OE1-CB 3.27Å; E400-K406 PolarHBondContact OE1-N 3Å; E400-G409 WeakPolarHBondContact OE1-CA 3.42Å; E400-A413 HydrophobicContact CB-CB 3.77Å; E400-A413 HydrophobicContact CG-CB 3.75Å
401	C	97	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-35	174.5	-168.5	0	0	0	0	112.2	C363 L397 L398 D399 R410 A413 L417	C363-C401 HydrophobicContact CB-CB 3.73Å; C363-C401 WeakPolarHBondContact CB-SG 3.36Å; C363-C401 WeakPolarHBondContact SG-CB 3.18Å; C363-C401 CovalentContact SG-SG 2.03Å; C363-C401 PolarHBondContact SG-SG 3.04Å; L397-C401 VanDerWaalsContact O-CB 3.22Å; L397-C401 WeakPolarHBondContact O-CB 3.49Å; L397-C401 PolarHBondContact O-N 3.02Å; L398-C401 PolarHBondContact O-N 2.75Å; D399-C401 VanDerWaalsContact C-N 3.33Å; C401-R410 WeakPolarHBondContact O-CD 3.5Å; C401-R410 VanDerWaalsContact O-CG 3.25Å; C401-R410 WeakPolarHBondContact O-CG 3.38Å; C401-R410 PolarHBondContact O-NE 2.87Å; C401-A413 HydrophobicContact CB-CB 4.35Å; C401-L417 HydrophobicContact CB-CD2 4.46Å
402	T	94.6	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-88.1	-54.1	-177.9	-61.6	0	0	0	0	111.7	F333 C363 Q364 S368 Y370 L398 D399 E400 P404 R410	F333-T402 HydrophobicContact CD2-CG2 3.91Å; F333-T402 HydrophobicContact CE2-CG2 3.94Å; C363-T402 PolarHBondContact O-OG1 3.47Å; Q364-T402 HydrophobicContact CB-CG2 4.08Å; Q364-T402 HydrophobicContact CG-CG2 4.49Å; S368-T402 VanDerWaalsContact CB-OG1 3.29Å; S368-T402 WeakPolarHBondContact CB-OG1 3.11Å; S368-T402 PolarHBondContact OG-OG1 3.46Å; Y370-T402 HydrophobicContact CD2-CG2 3.66Å; Y370-T402 HydrophobicContact CE2-CG2 4.19Å; Y370-T402 HydrophobicContact CG-CG2 4.4Å; L398-T402 WeakPolarHBondContact O-CB 3.48Å; L398-T402 PolarHBondContact O-N 3.28Å; L398-T402 PolarHBondContact O-OG1 2.87Å; L398-T402 VanDerWaalsContact O-OG1 3.12Å; D399-T402 PolarHBondContact O-N 3.32Å; E400-T402 VanDerWaalsContact C-N 3.35Å; T402-P404 WeakPolarHBondContact O-CD 3.1Å; T402-R410 PolarHBondContact O-NH2 3.36Å
403	K	94.6	Very high	95.6	Very high	91 Å²	91	57 Å²	57	40%	0.396	27%	0.267	S	S	.	.	S	Bend	trans	-123.7	77.2	-174.9	-171.8	176.5	-174.4	170.1	0	109.9	F333 D399 K405	F333-K403 HydrophobicContact CB-CB 4.18Å; F333-K403 HydrophobicContact CB-CG 3.95Å; F333-K403 HydrophobicContact CD1-CB 4.48Å; F333-K403 HydrophobicContact CD1-CD 3.72Å; F333-K403 HydrophobicContact CD1-CG 3.93Å; F333-K403 HydrophobicContact CD2-CB 3.86Å; F333-K403 HydrophobicContact CD2-CD 4.41Å; F333-K403 HydrophobicContact CD2-CG 4.2Å; F333-K403 HydrophobicContact CE1-CD 3.85Å; F333-K403 HydrophobicContact CE2-CB 4.38Å; F333-K403 HydrophobicContact CG-CB 3.91Å; F333-K403 HydrophobicContact CG-CD 4.01Å; F333-K403 HydrophobicContact CG-CG 3.75Å; F333-K403 HydrophobicContact CZ-CD 4.26Å; D399-K403 CarbonylContact O-C 3.35Å; D399-K403 VanDerWaalsContact O-C 3.28Å; D399-K403 WeakPolarHBondContact O-CA 3.41Å; D399-K403 PolarHBondContact O-N 2.82Å; K403-K405 PolarHBondContact O-N 3.48Å
404	P	93.8	Very high	95.7	Very high	31 Å²	31	53.2 Å²	53.2	20%	0.201	25%	0.25	C	S	.	.			trans	-60	128.3	-173.9	23.3	-33.3	0	0	0	111.4	E330 E400 T402 R410	E330-P404 HydrophobicContact CG-CG 4Å; E330-P404 WeakPolarHBondContact OE1-CG 3.38Å; E400-P404 WeakPolarHBondContact O-CA 3.39Å; T402-P404 WeakPolarHBondContact O-CD 3.1Å; P404-R410 HydrophobicContact CB-CB 4.41Å; P404-R410 VanDerWaalsContact CD-NH2 3.27Å; P404-R410 HydrophobicContact CG-CB 4.42Å
405	K	93.3	Very high	95.8	Very high	169 Å²	169	57.6 Å²	57.6	74%	0.735	27%	0.269	S	S	*	.	S	Bend	trans	-89.1	-27.6	174.7	-64.3	173.2	-175.3	165.7	0	111	E400 K403	E400-K405 VanDerWaalsContact CD-N 3.33Å; E400-K405 PolarHBondContact OE1-N 3.39Å; E400-K405 VanDerWaalsContact OE1-N 3.12Å; E400-K405 WeakPolarHBondContact OE2-CB 3.46Å; E400-K405 PolarHBondContact OE2-N 2.85Å; K403-K405 PolarHBondContact O-N 3.48Å
406	K	91.9	Very high	95.9	Very high	157 Å²	157	55.9 Å²	55.9	68%	0.683	26%	0.261	S	S	*	.	S	Bend	trans	-97.8	142.3	174.5	-60.6	175.5	-173.6	170.8	0	108.8	E400 Y408 G409	E400-K406 WeakPolarHBondContact OE1-CB 3.27Å; E400-K406 PolarHBondContact OE1-N 3Å; K406-Y408 PolarHBondContact O-N 2.75Å; K406-G409 WeakPolarHBondContact O-CA 3.31Å; K406-G409 PolarHBondContact O-N 3.24Å
407	R	93.3	Very high	96	Very high	194 Å²	194	53 Å²	53	73%	0.732	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	124.7	173	-175	-178	177.6	176.7	-1.9	109.4	G409	R407-G409 PolarHBondContact O-N 3.35Å
408	Y	94.8	Very high	96	Very high	58 Å²	58	55.3 Å²	55.3	23%	0.227	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	18.8	-175.3	-47.1	-49.8	0	0	0	114.1	W328 E330 K406 R410 F411	W328-Y408 HydrophobicContact CB-CD1 3.84Å; W328-Y408 HydrophobicContact CB-CE1 3.58Å; W328-Y408 HydrophobicContact CB-CE2 4.41Å; W328-Y408 HydrophobicContact CB-CG 4.36Å; W328-Y408 HydrophobicContact CE3-CD1 4.27Å; W328-Y408 HydrophobicContact CE3-CD2 4.3Å; W328-Y408 AromaticContact CE3-CG 3.88Å; W328-Y408 HydrophobicContact CE3-CG 3.88Å; W328-Y408 VanDerWaalsContact O-CE1 3.29Å; W328-Y408 WeakPolarHBondContact O-CE1 3.48Å; W328-Y408 PolarHBondContact O-OH 3.35Å; E330-Y408 HydrophobicContact CB-CD1 4.07Å; E330-Y408 HydrophobicContact CB-CE1 4.44Å; E330-Y408 VanDerWaalsContact OE1-C 3.24Å; E330-Y408 WeakPolarHBondContact OE1-CA 3.23Å; E330-Y408 PolarHBondContact OE1-N 3.08Å; E330-Y408 PolarHBondContact OE2-N 2.97Å; K406-Y408 PolarHBondContact O-N 2.75Å; Y408-R410 PolarHBondContact O-N 3.4Å; Y408-F411 HydrophobicContact CD1-CE2 4.14Å; Y408-F411 PolarHBondContact O-N 3.11Å
409	G	95.7	Very high	96.1	Very high	9 Å²	9	59.3 Å²	59.3	9%	0.093	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-31.3	-179.1	0	0	0	0	0	112.6	E330 E400 K406 R407 F411 Q412 A413	E330-G409 PolarHBondContact OE1-N 3.38Å; E330-G409 VanDerWaalsContact OE1-N 3.16Å; E400-G409 WeakPolarHBondContact OE1-CA 3.42Å; K406-G409 WeakPolarHBondContact O-CA 3.31Å; K406-G409 PolarHBondContact O-N 3.24Å; R407-G409 PolarHBondContact O-N 3.35Å; G409-F411 VanDerWaalsContact C-N 3.3Å; G409-F411 PolarHBondContact O-N 2.98Å; G409-Q412 PolarHBondContact O-N 3.31Å; G409-A413 WeakPolarHBondContact O-CB 3.24Å; G409-A413 PolarHBondContact O-N 2.92Å
410	R	97.4	Very high	96.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-39.2	-178.6	-176.6	173.7	-53.6	126.8	-6.9	112.6	E330 S331 D356 C401 T402 P404 Y408 Q412 A413 A414	E330-R410 PolarHBondContact OE1-N 2.9Å; S331-R410 PolarHBondContact O-NH1 3.08Å; S331-R410 PolarHBondContact O-NH2 2.84Å; D356-R410 HydrophobicContact CB-CG 4.34Å; D356-R410 VanDerWaalsContact CG-NH1 3.3Å; D356-R410 IonicContact OD1-NH1 3.52Å; D356-R410 PolarHBondContact OD1-NH1 3.33Å; D356-R410 VanDerWaalsContact OD2-CD 3.28Å; D356-R410 WeakPolarHBondContact OD2-CD 3.36Å; D356-R410 IonicContact OD2-CZ 2.63Å; D356-R410 IonicContact OD2-NE 2.82Å; D356-R410 IonicContact OD2-NH1 2.62Å; D356-R410 PolarHBondContact OD2-NH1 3.1Å; C401-R410 WeakPolarHBondContact O-CD 3.5Å; C401-R410 VanDerWaalsContact O-CG 3.25Å; C401-R410 WeakPolarHBondContact O-CG 3.38Å; C401-R410 PolarHBondContact O-NE 2.87Å; T402-R410 PolarHBondContact O-NH2 3.36Å; P404-R410 HydrophobicContact CB-CB 4.41Å; P404-R410 VanDerWaalsContact CD-NH2 3.27Å; P404-R410 HydrophobicContact CG-CB 4.42Å; Y408-R410 PolarHBondContact O-N 3.4Å; R410-Q412 VanDerWaalsContact C-N 3.35Å; R410-Q412 PolarHBondContact O-N 3.05Å; R410-A413 PolarHBondContact O-N 3.15Å; R410-A414 WeakPolarHBondContact O-CB 3.47Å; R410-A414 PolarHBondContact O-N 2.95Å
411	F	97.3	Very high	96.2	Very high	33 Å²	33	57.5 Å²	57.5	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-46.4	-179.9	-67.5	-87.2	0	0	0	111.8	W328 E330 T354 D356 Y408 G409 K415	W328-F411 HydrophobicContact CB-CE2 4.49Å; W328-F411 AromaticContact CE3-CD2 3.71Å; W328-F411 HydrophobicContact CE3-CD2 3.71Å; W328-F411 AromaticContact CE3-CE2 3.78Å; W328-F411 HydrophobicContact CE3-CE2 3.78Å; W328-F411 HydrophobicContact CE3-CG 4.09Å; W328-F411 HydrophobicContact CE3-CZ 4.2Å; W328-F411 HydrophobicContact CZ3-CB 4.21Å; W328-F411 AromaticContact CZ3-CD2 3.97Å; W328-F411 HydrophobicContact CZ3-CD2 3.97Å; W328-F411 HydrophobicContact CZ3-CE2 4.47Å; W328-F411 AromaticContact CZ3-CG 3.99Å; W328-F411 HydrophobicContact CZ3-CG 3.99Å; E330-F411 HydrophobicContact CB-CE2 4.42Å; T354-F411 HydrophobicContact CG2-CD1 4.31Å; T354-F411 HydrophobicContact CG2-CE1 3.6Å; T354-F411 HydrophobicContact CG2-CZ 3.94Å; D356-F411 HydrophobicContact CB-CD1 4.18Å; D356-F411 HydrophobicContact CB-CD2 4.4Å; D356-F411 HydrophobicContact CB-CE1 3.7Å; D356-F411 HydrophobicContact CB-CE2 3.95Å; D356-F411 HydrophobicContact CB-CZ 3.59Å; Y408-F411 HydrophobicContact CD1-CE2 4.14Å; Y408-F411 PolarHBondContact O-N 3.11Å; G409-F411 VanDerWaalsContact C-N 3.3Å; G409-F411 PolarHBondContact O-N 2.98Å; F411-K415 PolarHBondContact O-N 2.92Å
412	Q	97	Very high	96.2	Very high	98 Å²	98	60.6 Å²	60.6	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-72.8	-43.5	179	-175.5	61.2	25.7	0	0	111	G409 R410 A414 K415 E416	G409-Q412 PolarHBondContact O-N 3.31Å; R410-Q412 VanDerWaalsContact C-N 3.35Å; R410-Q412 PolarHBondContact O-N 3.05Å; Q412-A414 PolarHBondContact O-N 2.95Å; Q412-K415 PolarHBondContact O-N 3.1Å; Q412-E416 HydrophobicContact CG-CG 4.45Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.35Å; Q412-E416 PolarHBondContact NE2-OE1 3.21Å; Q412-E416 WeakPolarHBondContact O-CG 3.31Å; Q412-E416 PolarHBondContact O-N 3.03Å
413	A	97.9	Very high	96.2	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-41.6	178.5	0	0	0	0	0	112.4	E400 C401 G409 R410 K415 E416 L417	E400-A413 HydrophobicContact CB-CB 3.77Å; E400-A413 HydrophobicContact CG-CB 3.75Å; C401-A413 HydrophobicContact CB-CB 4.35Å; G409-A413 WeakPolarHBondContact O-CB 3.24Å; G409-A413 PolarHBondContact O-N 2.92Å; R410-A413 PolarHBondContact O-N 3.15Å; A413-K415 VanDerWaalsContact C-N 3.34Å; A413-K415 PolarHBondContact O-N 3.23Å; A413-E416 PolarHBondContact O-N 2.9Å; A413-L417 WeakPolarHBondContact O-CB 3.27Å; A413-L417 PolarHBondContact O-N 3.23Å
414	A	97.8	Very high	96.1	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-42.5	176.6	0	0	0	0	0	111.9	M267 Y359 R410 Q412 R418	M267-A414 HydrophobicContact CE-CB 3.69Å; Y359-A414 HydrophobicContact CD1-CB 3.98Å; Y359-A414 HydrophobicContact CD2-CB 4.19Å; Y359-A414 HydrophobicContact CG-CB 3.75Å; R410-A414 WeakPolarHBondContact O-CB 3.47Å; R410-A414 PolarHBondContact O-N 2.95Å; Q412-A414 PolarHBondContact O-N 2.95Å; A414-R418 WeakPolarHBondContact O-CB 3.17Å; A414-R418 PolarHBondContact O-N 3.48Å
415	K	97.6	Very high	95.8	Very high	99 Å²	99	63.9 Å²	63.9	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-50.9	175.5	-179	-177.7	173	-175.7	0	111.5	F411 Q412 A413 L417 R418 E419	F411-K415 PolarHBondContact O-N 2.92Å; Q412-K415 PolarHBondContact O-N 3.1Å; A413-K415 VanDerWaalsContact C-N 3.34Å; A413-K415 PolarHBondContact O-N 3.23Å; K415-L417 VanDerWaalsContact C-N 3.34Å; K415-L417 PolarHBondContact O-N 3.14Å; K415-R418 PolarHBondContact O-N 3.15Å; K415-E419 WeakPolarHBondContact CE-OE1 3.44Å; K415-E419 WeakPolarHBondContact O-CG 3.46Å; K415-E419 PolarHBondContact O-N 3.14Å
416	E	98.1	Very high	95.4	Very high	80 Å²	80	58.7 Å²	58.7	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-38.9	-180	-72.8	178.1	-168	0	0	112.1	L397 Q412 A413 E419 Y420	L397-E416 HydrophobicContact CD2-CB 3.61Å; Q412-E416 HydrophobicContact CG-CG 4.45Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.35Å; Q412-E416 PolarHBondContact NE2-OE1 3.21Å; Q412-E416 WeakPolarHBondContact O-CG 3.31Å; Q412-E416 PolarHBondContact O-N 3.03Å; A413-E416 PolarHBondContact O-N 2.9Å; E416-E419 PolarHBondContact O-N 3.43Å; E416-Y420 VanDerWaalsContact O-CB 3.23Å; E416-Y420 WeakPolarHBondContact O-CB 3.43Å; E416-Y420 PolarHBondContact O-N 3.06Å
417	L	98.3	Very high	94.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-47.1	174.6	179.9	60.4	0	0	0	110.8	M267 L367 L394 L397 L398 C401 A413 K415 E419 Y420 L421	M267-L417 HydrophobicContact CE-CD2 4.4Å; M267-L417 HydrophobicContact SD-CD2 4.38Å; L367-L417 HydrophobicContact CD1-CD2 4.38Å; L394-L417 HydrophobicContact CD1-CD1 3.86Å; L397-L417 HydrophobicContact CB-CB 4.3Å; L397-L417 HydrophobicContact CB-CD1 4.1Å; L398-L417 HydrophobicContact CD2-CD1 4.25Å; L398-L417 HydrophobicContact CD2-CD2 3.72Å; L398-L417 HydrophobicContact CG-CD1 4.42Å; C401-L417 HydrophobicContact CB-CD2 4.46Å; A413-L417 WeakPolarHBondContact O-CB 3.27Å; A413-L417 PolarHBondContact O-N 3.23Å; K415-L417 VanDerWaalsContact C-N 3.34Å; K415-L417 PolarHBondContact O-N 3.14Å; L417-E419 PolarHBondContact O-N 3.18Å; L417-Y420 PolarHBondContact O-N 3.32Å; L417-L421 HydrophobicContact CD1-CD1 4.13Å; L417-L421 HydrophobicContact CD1-CG 4.09Å; L417-L421 HydrophobicContact CG-CD1 4Å; L417-L421 HydrophobicContact CG-CG 4.39Å; L417-L421 WeakPolarHBondContact O-CB 3.49Å; L417-L421 VanDerWaalsContact O-CG 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.49Å; L417-L421 PolarHBondContact O-N 3.3Å
418	R	97.7	Very high	93.7	Very high	63 Å²	63	45.9 Å²	45.9	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-44.5	177.1	-174.7	175.2	66.5	160.6	-14.7	112.5	M267 D268 E271 A414 K415 Y420 T422	M267-R418 HydrophobicContact CB-CB 4.15Å; M267-R418 HydrophobicContact CB-CG 4.16Å; D268-R418 VanDerWaalsContact OD1-CD 3.27Å; D268-R418 WeakPolarHBondContact OD1-CD 3.46Å; D268-R418 IonicContact OD1-NH1 2.73Å; E271-R418 IonicContact OE2-CZ 3.03Å; E271-R418 IonicContact OE2-NH2 3.2Å; E271-R418 PolarHBondContact OE2-NH2 2.92Å; A414-R418 WeakPolarHBondContact O-CB 3.17Å; A414-R418 PolarHBondContact O-N 3.48Å; K415-R418 PolarHBondContact O-N 3.15Å; R418-Y420 VanDerWaalsContact C-N 3.35Å; R418-T422 WeakPolarHBondContact O-CB 3.41Å; R418-T422 PolarHBondContact O-N 3.45Å; R418-T422 PolarHBondContact O-OG1 3.03Å
419	E	97.7	Very high	92.3	Very high	97 Å²	97	47 Å²	47	45%	0.453	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-39.6	175.3	-71	174.2	-171.1	0	0	111.9	K415 E416 L417 T422 R423	K415-E419 WeakPolarHBondContact CE-OE1 3.44Å; K415-E419 WeakPolarHBondContact O-CG 3.46Å; K415-E419 PolarHBondContact O-N 3.14Å; E416-E419 PolarHBondContact O-N 3.43Å; L417-E419 PolarHBondContact O-N 3.18Å; E419-T422 PolarHBondContact O-N 3.19Å; E419-R423 PolarHBondContact O-N 3.02Å; E419-R423 VanDerWaalsContact O-N 3.14Å
420	Y	97.4	Very high	90.7	Very high	21 Å²	21	49.9 Å²	49.9	8%	0.082	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-50.3	176.1	-175.8	-106.1	0	0	0	111.7	Q393 L394 L397 E416 L417 R418 T422 R423 L424	Q393-Y420 HydrophobicContact CG-CD2 4.38Å; Q393-Y420 HydrophobicContact CG-CE2 4.15Å; Q393-Y420 VanDerWaalsContact OE1-CE2 3.24Å; L394-Y420 HydrophobicContact CB-CE1 3.95Å; L394-Y420 HydrophobicContact CD1-CD1 4.15Å; L394-Y420 HydrophobicContact CD1-CE1 4.03Å; L394-Y420 HydrophobicContact CG-CE1 4.48Å; L397-Y420 HydrophobicContact CD1-CD1 4.4Å; L397-Y420 HydrophobicContact CD1-CG 4.17Å; E416-Y420 VanDerWaalsContact O-CB 3.23Å; E416-Y420 WeakPolarHBondContact O-CB 3.43Å; E416-Y420 PolarHBondContact O-N 3.06Å; L417-Y420 PolarHBondContact O-N 3.32Å; R418-Y420 VanDerWaalsContact C-N 3.35Å; Y420-T422 VanDerWaalsContact C-N 3.26Å; Y420-T422 PolarHBondContact O-N 2.69Å; Y420-R423 PolarHBondContact O-N 3.46Å; Y420-R423 VanDerWaalsContact O-N 3.15Å; Y420-L424 HydrophobicContact CD1-CD1 3.92Å; Y420-L424 HydrophobicContact CD1-CG 4.4Å; Y420-L424 HydrophobicContact CE1-CD1 3.45Å; Y420-L424 VanDerWaalsContact CE1-CD1 3.45Å; Y420-L424 HydrophobicContact CE1-CG 4.1Å; Y420-L424 WeakPolarHBondContact O-CG 3.47Å; Y420-L424 PolarHBondContact O-N 2.9Å
421	L	97.1	Very high	88.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-37	176.7	-66.3	172	0	0	0	111.8	V260 A263 R264 M267 L381 L417 L424 S425	V260-L421 HydrophobicContact CG1-CB 4.47Å; V260-L421 HydrophobicContact CG1-CD2 4Å; A263-L421 HydrophobicContact CB-CD1 4.04Å; A263-L421 HydrophobicContact CB-CD2 4.5Å; R264-L421 HydrophobicContact CB-CB 3.96Å; R264-L421 HydrophobicContact CG-CB 4.34Å; M267-L421 HydrophobicContact CG-CD1 4.29Å; L381-L421 HydrophobicContact CD1-CD2 4.03Å; L381-L421 HydrophobicContact CD2-CD2 4.18Å; L417-L421 HydrophobicContact CD1-CD1 4.13Å; L417-L421 HydrophobicContact CD1-CG 4.09Å; L417-L421 HydrophobicContact CG-CD1 4Å; L417-L421 HydrophobicContact CG-CG 4.39Å; L417-L421 WeakPolarHBondContact O-CB 3.49Å; L417-L421 VanDerWaalsContact O-CG 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.49Å; L417-L421 PolarHBondContact O-N 3.3Å; L421-L424 PolarHBondContact O-N 2.84Å; L421-S425 PolarHBondContact O-N 3.18Å; L421-S425 PolarHBondContact O-OG 3.15Å
422	T	96.1	Very high	86.7	Confident	65 Å²	65	58.3 Å²	58.3	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-44.7	175.7	-59.8	0	0	0	0	111.9	R418 E419 Y420 S425 A426	R418-T422 WeakPolarHBondContact O-CB 3.41Å; R418-T422 PolarHBondContact O-N 3.45Å; R418-T422 PolarHBondContact O-OG1 3.03Å; E419-T422 PolarHBondContact O-N 3.19Å; Y420-T422 VanDerWaalsContact C-N 3.26Å; Y420-T422 PolarHBondContact O-N 2.69Å; T422-S425 PolarHBondContact O-N 2.82Å; T422-A426 PolarHBondContact O-N 3.43Å
423	R	94.7	Very high	84.4	Confident	151 Å²	151	57.9 Å²	57.9	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-63.6	-40.8	175.7	-72.3	-174.1	-70.4	157.6	-4.9	112	E419 Y420 A426 A427	E419-R423 PolarHBondContact O-N 3.02Å; E419-R423 VanDerWaalsContact O-N 3.14Å; Y420-R423 PolarHBondContact O-N 3.46Å; Y420-R423 VanDerWaalsContact O-N 3.15Å; R423-A426 PolarHBondContact O-N 3Å; R423-A427 WeakPolarHBondContact O-CB 3.44Å; R423-A427 PolarHBondContact O-N 3.15Å
424	L	92.6	Very high	81.8	Confident	24 Å²	24	71 Å²	71	13%	0.126	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-46.5	176.3	-67.8	-175.8	0	0	0	111.9	V260 I388 Y420 L421 A426 A427 S428	V260-L424 HydrophobicContact CG1-CB 3.71Å; V260-L424 HydrophobicContact CG1-CD1 4.37Å; I388-L424 HydrophobicContact CD1-CD2 3.54Å; Y420-L424 HydrophobicContact CD1-CD1 3.92Å; Y420-L424 HydrophobicContact CD1-CG 4.4Å; Y420-L424 HydrophobicContact CE1-CD1 3.45Å; Y420-L424 VanDerWaalsContact CE1-CD1 3.45Å; Y420-L424 HydrophobicContact CE1-CG 4.1Å; Y420-L424 WeakPolarHBondContact O-CG 3.47Å; Y420-L424 PolarHBondContact O-N 2.9Å; L421-L424 PolarHBondContact O-N 2.84Å; L424-A426 VanDerWaalsContact C-N 3.32Å; L424-A426 PolarHBondContact O-N 3.03Å; L424-A427 PolarHBondContact O-N 3.42Å; L424-S428 PolarHBondContact O-N 3.31Å; L424-S428 VanDerWaalsContact O-N 3.13Å; L424-S428 PolarHBondContact O-OG 3.01Å
425	S	87.6	Confident	81	Confident	15 Å²	15	74.3 Å²	74.3	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-58.5	-43.2	175.9	-61.7	0	0	0	0	112.1	R264 L421 T422 S428 S429	R264-S425 PolarHBondContact NH1-OG 3.14Å; L421-S425 PolarHBondContact O-N 3.18Å; L421-S425 PolarHBondContact O-OG 3.15Å; T422-S425 PolarHBondContact O-N 2.82Å; S425-S428 PolarHBondContact O-N 3.13Å; S425-S429 PolarHBondContact O-N 3.39Å; S425-S429 VanDerWaalsContact O-N 3.15Å; S425-S429 PolarHBondContact O-OG 3.41Å
426	A	85.5	Confident	80.1	Confident	60 Å²	60	73 Å²	73	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-66.6	-39.9	179.8	0	0	0	0	0	112.8	T422 R423 L424 S428 S429 S430	T422-A426 PolarHBondContact O-N 3.43Å; R423-A426 PolarHBondContact O-N 3Å; L424-A426 VanDerWaalsContact C-N 3.32Å; L424-A426 PolarHBondContact O-N 3.03Å; A426-S428 VanDerWaalsContact C-N 3.34Å; A426-S428 PolarHBondContact O-N 3.36Å; A426-S429 PolarHBondContact O-N 3.49Å; A426-S430 PolarHBondContact O-N 3.2Å; A426-S430 VanDerWaalsContact O-N 3.14Å
427	A	79.3	Confident	79.1	Confident	54 Å²	54	72.6 Å²	72.6	45%	0.446	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-43.1	176.5	0	0	0	0	0	111.3	R423 L424 S430 A431	R423-A427 WeakPolarHBondContact O-CB 3.44Å; R423-A427 PolarHBondContact O-N 3.15Å; L424-A427 PolarHBondContact O-N 3.42Å; A427-S430 PolarHBondContact O-N 3.43Å; A427-S430 PolarHBondContact O-OG 3.14Å; A427-A431 PolarHBondContact O-N 3.25Å; A427-A431 VanDerWaalsContact O-N 3.14Å
428	S	70.6	Confident	77.9	Confident	28 Å²	28	76.9 Å²	76.9	20%	0.196	42%	0.424	C	S	.	.	H	α-helix	trans	-63.4	-40.6	176.9	-60.5	0	0	0	0	113.1	E257 L424 S425 A426 S430 A431 M432	E257-S428 VanDerWaalsContact CG-OG 3.24Å; E257-S428 WeakPolarHBondContact CG-OG 3.24Å; L424-S428 PolarHBondContact O-N 3.31Å; L424-S428 VanDerWaalsContact O-N 3.13Å; L424-S428 PolarHBondContact O-OG 3.01Å; S425-S428 PolarHBondContact O-N 3.13Å; A426-S428 VanDerWaalsContact C-N 3.34Å; A426-S428 PolarHBondContact O-N 3.36Å; S428-S430 VanDerWaalsContact C-N 3.31Å; S428-S430 PolarHBondContact O-N 3.17Å; S428-A431 PolarHBondContact O-N 3.27Å; S428-M432 PolarHBondContact O-N 2.71Å
429	S	65.2	Low	76.7	Confident	82 Å²	82	77.8 Å²	77.8	57%	0.573	44%	0.436	S	S	*	.	H	α-helix	trans	-64	-35.9	175.5	-57.6	0	0	0	0	112.5	S425 A426 A431 A433	S425-S429 PolarHBondContact O-N 3.39Å; S425-S429 VanDerWaalsContact O-N 3.15Å; S425-S429 PolarHBondContact O-OG 3.41Å; A426-S429 PolarHBondContact O-N 3.49Å; S429-A431 VanDerWaalsContact C-N 3.34Å; S429-A433 PolarHBondContact O-N 3.29Å
430	S	61.8	Low	75.3	Confident	70 Å²	70	76.5 Å²	76.5	49%	0.49	44%	0.435	S	S	.	.	H	α-helix	trans	-71	-28.8	177	76.2	0	0	0	0	113.5	A426 A427 S428	A426-S430 PolarHBondContact O-N 3.2Å; A426-S430 VanDerWaalsContact O-N 3.14Å; A427-S430 PolarHBondContact O-N 3.43Å; A427-S430 PolarHBondContact O-OG 3.14Å; S428-S430 VanDerWaalsContact C-N 3.31Å; S428-S430 PolarHBondContact O-N 3.17Å
431	A	57.9	Low	73.7	Confident	67 Å²	67	80.4 Å²	80.4	55%	0.554	46%	0.46	S	S	*	.	H	α-helix	trans	-78.7	-27.8	177.4	0	0	0	0	0	113	A427 S428 S429	A427-A431 PolarHBondContact O-N 3.25Å; A427-A431 VanDerWaalsContact O-N 3.14Å; S428-A431 PolarHBondContact O-N 3.27Å; S429-A431 VanDerWaalsContact C-N 3.34Å
432	M	53.7	Low	71.9	Confident	142 Å²	142	86.6 Å²	86.6	70%	0.7	50%	0.496	S	S	*	.	H	α-helix	trans	-81.4	-19.8	173.2	-71.2	-175.9	-159.7	0	0	113.8	E257 S428 R434	E257-M432 HydrophobicContact CB-CE 4.47Å; S428-M432 PolarHBondContact O-N 2.71Å; M432-R434 VanDerWaalsContact C-N 3.34Å
433	A	48.6	Very low	69.9	Low	89 Å²	89	88.4 Å²	88.4	74%	0.736	50%	0.504	S	S	*	.			trans	-86.6	-6.1	178.6	0	0	0	0	0	113.5	S429	S429-A433 PolarHBondContact O-N 3.29Å
434	R	41.8	Very low	67.7	Low	279 Å²	279	82.7 Å²	82.7	100%	1.053	50%	0.498	S	S	*	.			trans	-105.7	0	170.2	-71.3	-178.1	176.8	-179	0.3	108.8	M432	M432-R434 VanDerWaalsContact C-N 3.34Å

Retrieved 434 of 434 residues in 1298 ms (Link to these results)

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