A0A077ZN50_TRITR Loading...

Anticodon 1 and tRNA-synt 1g domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077ZN50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 689 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	44.3	Very low	152 Å²	152	141 Å²	141	75%	0.749	71%	0.705	S	S	*	*				0	119.1	0	-74.4	179.3	-167.1	0	0	106.5	V35	M1-V35 HydrophobicContact SD-CG1 4.37Å; M1-V35 HydrophobicContact SD-CG2 3.79Å
2	H	39.2	Very low	45.3	Very low	98 Å²	98	140.8 Å²	140.8	45%	0.454	71%	0.707	S	S	.	*			trans	-89.1	126	176.4	-92.9	-50.9	0	0	0	109.6	E22 W78	H2-E22 HydrophobicContact CB-CG 3.88Å; H2-E22 WeakPolarHBondContact CB-OE1 3.32Å; H2-E22 IonicContact CD2-OE1 3.37Å; H2-E22 IonicContact CD2-OE2 3.93Å; H2-E22 IonicContact CG-OE1 3.72Å; H2-W78 AromaticContact CE1-NE1 3.57Å; H2-W78 AromaticContact NE2-NE1 3.35Å; H2-W78 PolarHBondContact NE2-NE1 2.95Å
3	A	35.8	Very low	47.3	Very low	46 Å²	46	135.7 Å²	135.7	38%	0.38	71%	0.712	S	S	.	*			trans	-96	124.3	150.6	0	0	0	0	0	106.7	E5 N19	A3-E5 VanDerWaalsContact C-N 3.32Å; A3-E5 PolarHBondContact O-N 3.15Å; A3-N19 WeakPolarHBondContact CB-OD1 3.19Å
4	R	38.4	Very low	49.3	Very low	240 Å²	240	138.9 Å²	138.9	91%	0.906	72%	0.721	S	S	*	*			trans	-71.6	92	167.5	-87.7	-178.1	171	-178	-2.7	108	K6	R4-K6 PolarHBondContact O-N 3.03Å; R4-K6 VanDerWaalsContact O-N 3.1Å
5	E	43	Very low	51.4	Low	136 Å²	136	135.2 Å²	135.2	64%	0.636	72%	0.719	S	S	*	*			trans	-68.2	105.2	168.3	-78	-169.8	158.4	0	0	109.6	A3 K7	A3-E5 VanDerWaalsContact C-N 3.32Å; A3-E5 PolarHBondContact O-N 3.15Å; E5-K7 PolarHBondContact O-N 2.64Å
6	K	46	Very low	53.4	Low	199 Å²	199	134.1 Å²	134.1	87%	0.865	72%	0.723	S	S	*	*			trans	-70.6	102.5	155.7	-84.9	-174.1	174.3	-178.3	0	107.3	R4 E8	R4-K6 PolarHBondContact O-N 3.03Å; R4-K6 VanDerWaalsContact O-N 3.1Å; K6-E8 VanDerWaalsContact C-N 3.32Å; K6-E8 PolarHBondContact O-N 3.47Å
7	K	46.9	Very low	55.3	Low	187 Å²	187	133.6 Å²	133.6	81%	0.813	72%	0.719	S	S	*	*			trans	-74.1	83.7	168.9	-81	-175.6	174.3	176.1	0	110.2	E5	E5-K7 PolarHBondContact O-N 2.64Å
8	E	50.9	Low	57.2	Low	180 Å²	180	135.3 Å²	135.3	84%	0.841	72%	0.715	S	S	*	*	S	Bend	trans	-165.2	146.9	154.8	-113.3	179.4	-173.6	0	0	109.5	K6	K6-E8 VanDerWaalsContact C-N 3.32Å; K6-E8 PolarHBondContact O-N 3.47Å
9	P	48.6	Very low	58.8	Low	99 Å²	99	131.6 Å²	131.6	64%	0.643	70%	0.695	S	S	*	*				-84.1	130	-100.1	33.6	-29.8	0	0	0	113.8	C11	P9-C11 HydrophobicContact CB-CB 4.17Å; P9-C11 PolarHBondContact O-N 2.65Å
10	S	51.5	Low	60.4	Low	108 Å²	108	130.7 Å²	130.7	76%	0.755	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-67.8	16.9	166.6	57.9	0	0	0	0	114	L12	S10-L12 PolarHBondContact O-N 2.89Å
11	C	50	Low	61.8	Low	106 Å²	106	125.5 Å²	125.5	72%	0.716	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-87.8	2.5	-167.5	-60.7	0	0	0	0	115.2	P9	P9-C11 HydrophobicContact CB-CB 4.17Å; P9-C11 PolarHBondContact O-N 2.65Å
12	L	56.2	Low	64.2	Low	138 Å²	138	124.4 Å²	124.4	72%	0.723	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-131.5	7.6	-176.3	-86.4	160	0	0	0	116.3	S10 E14	S10-L12 PolarHBondContact O-N 2.89Å; L12-E14 HydrophobicContact CB-CG 4.49Å; L12-E14 PolarHBondContact O-N 3.05Å
13	G	70.9	Confident	66.7	Low	75 Å²	75	127.9 Å²	127.9	77%	0.773	67%	0.668	S	S	*	*	S	Bend	trans	67.1	4.3	175.9	0	0	0	0	0	115.6	A15	G13-A15 VanDerWaalsContact C-N 3.29Å
14	E	76.3	Confident	69.4	Low	181 Å²	181	132.4 Å²	132.4	85%	0.846	68%	0.681	S	S	*	*	S	Bend	trans	-81.4	-7.2	177.6	-62.9	-174.9	162	0	0	113.3	L12	L12-E14 HydrophobicContact CB-CG 4.49Å; L12-E14 PolarHBondContact O-N 3.05Å
15	A	79.7	Confident	71.9	Confident	83 Å²	83	124.1 Å²	124.1	69%	0.686	66%	0.657	S	S	*	*			trans	-141.7	148.2	177	0	0	0	0	0	110.8	G13	G13-A15 VanDerWaalsContact C-N 3.29Å
16	C	83.8	Confident	74.2	Confident	117 Å²	117	122.1 Å²	122.1	79%	0.791	65%	0.65	S	S	*	*			trans	-118.7	154.5	170.7	62.5	0	0	0	0	110.5	Y18	C16-Y18 PolarHBondContact O-N 3.4Å
17	I	85.7	Confident	76.1	Confident	126 Å²	126	114.5 Å²	114.5	65%	0.646	62%	0.622	S	S	*	*			trans	-76.5	114.8	173.8	-59.7	175	0	0	0	107.3
18	Y	88.8	Confident	77.7	Confident	164 Å²	164	118.2 Å²	118.2	64%	0.643	63%	0.631	S	S	*	*			trans	-109.3	123.8	171.9	171.4	-111.9	0	0	0	108.8	C16 E20	C16-Y18 PolarHBondContact O-N 3.4Å; Y18-E20 HydrophobicContact CE1-CB 3.79Å; Y18-E20 HydrophobicContact CE1-CG 4.49Å; Y18-E20 WeakPolarHBondContact CE1-OE2 3.12Å; Y18-E20 PolarHBondContact OH-OE2 2.96Å
19	N	88.8	Confident	79.5	Confident	65 Å²	65	114 Å²	114	35%	0.348	62%	0.621	S	S	.	*			trans	-110.7	129.2	178.9	-62.9	-46.9	0	0	0	109.3	A3 V35	A3-N19 WeakPolarHBondContact CB-OD1 3.19Å; N19-V35 HydrophobicContact CB-CB 3.9Å; N19-V35 HydrophobicContact CB-CG1 3.64Å; N19-V35 HydrophobicContact CB-CG2 4.27Å
20	E	90.5	Very high	81.4	Confident	114 Å²	114	111.7 Å²	111.7	53%	0.533	62%	0.615	S	S	.	*			trans	-132.8	146.8	177.7	-171.6	173.8	161.9	0	0	108.7	Y18 E22	Y18-E20 HydrophobicContact CE1-CB 3.79Å; Y18-E20 HydrophobicContact CE1-CG 4.49Å; Y18-E20 WeakPolarHBondContact CE1-OE2 3.12Å; Y18-E20 PolarHBondContact OH-OE2 2.96Å; E20-E22 PolarHBondContact O-N 3.03Å
21	P	89.4	Confident	83.2	Confident	22 Å²	22	111.6 Å²	111.6	14%	0.143	61%	0.606	C	S	.	*			trans	-60	132.8	171.4	-20.6	34.8	0	0	0	110	K23 V25 V35	P21-K23 WeakPolarHBondContact CB-O 3.48Å; P21-K23 PolarHBondContact O-N 3.37Å; P21-V25 HydrophobicContact CB-CG2 4.24Å; P21-V35 HydrophobicContact CG-CG2 4Å
22	E	88.9	Confident	85.3	Confident	129 Å²	129	112.5 Å²	112.5	60%	0.603	60%	0.6	S	S	*	*	S	Bend	trans	-58	-26.5	-179.2	-70.5	-168.6	134.9	0	0	114	H2 E20	H2-E22 HydrophobicContact CB-CG 3.88Å; H2-E22 WeakPolarHBondContact CB-OE1 3.32Å; H2-E22 IonicContact CD2-OE1 3.37Å; H2-E22 IonicContact CD2-OE2 3.93Å; H2-E22 IonicContact CG-OE1 3.72Å; E20-E22 PolarHBondContact O-N 3.03Å
23	K	90.8	Very high	87	Confident	171 Å²	171	107.8 Å²	107.8	74%	0.743	58%	0.578	S	S	*	*	S	Bend	trans	-139.6	157.5	175.4	-64.6	-178.8	-178	175.7	0	107.8	P21 V25	P21-K23 WeakPolarHBondContact CB-O 3.48Å; P21-K23 PolarHBondContact O-N 3.37Å; K23-V25 WeakPolarHBondContact O-CG2 3.38Å; K23-V25 PolarHBondContact O-N 3.49Å
24	Q	93.3	Very high	88.1	Confident	141 Å²	141	109.5 Å²	109.5	66%	0.659	57%	0.574	S	S	*	*			trans	-55.6	125.9	171.9	-175.9	172.8	44.8	0	0	110.4	I26 E32	Q24-I26 HydrophobicContact CG-CD1 3.92Å; Q24-I26 HydrophobicContact CG-CG1 4.36Å; Q24-E32 WeakPolarHBondContact CG-OE1 3.47Å; Q24-E32 PolarHBondContact NE2-OE1 3.32Å
25	V	90.7	Very high	88.8	Confident	66 Å²	66	103.2 Å²	103.2	40%	0.4	55%	0.547	S	S	.	.			trans	-118	121.6	177.5	-178.9	0	0	0	0	107.8	P21 K23 C33	P21-V25 HydrophobicContact CB-CG2 4.24Å; K23-V25 WeakPolarHBondContact O-CG2 3.38Å; K23-V25 PolarHBondContact O-N 3.49Å; V25-C33 HydrophobicContact CB-CB 3.97Å; V25-C33 HydrophobicContact CG1-CB 4.04Å; V25-C33 WeakPolarHBondContact O-CB 3.16Å; V25-C33 PolarHBondContact O-N 3.2Å
26	I	90	Very high	89.3	Confident	94 Å²	94	102.4 Å²	102.4	48%	0.482	54%	0.541	S	S	.	.	B	Isolated β-bridge	trans	-105	130.4	176.9	-55.7	-58.3	0	0	0	109	Q24 E32	Q24-I26 HydrophobicContact CG-CD1 3.92Å; Q24-I26 HydrophobicContact CG-CG1 4.36Å; I26-E32 HydrophobicContact CD1-CB 4.14Å; I26-E32 HydrophobicContact CD1-CG 4.41Å
27	S	87.5	Confident	89.6	Confident	38 Å²	38	105.5 Å²	105.5	27%	0.266	55%	0.549	S	S	.	.			trans	-76	170.5	176.8	68.4	0	0	0	0	112.3	S29 G30 D31	S27-S29 PolarHBondContact O-N 3.3Å; S27-S29 PolarHBondContact OG-OG 3.43Å; S27-G30 PolarHBondContact O-N 3.18Å; S27-G30 VanDerWaalsContact O-N 3.09Å; S27-D31 WeakPolarHBondContact CB-O 3.43Å; S27-D31 PolarHBondContact N-O 3.24Å; S27-D31 WeakPolarHBondContact OG-CB 3.49Å; S27-D31 PolarHBondContact OG-N 2.98Å; S27-D31 PolarHBondContact OG-O 3.32Å
28	R	80.3	Confident	89.7	Confident	266 Å²	266	103.5 Å²	103.5	100%	1.004	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.9	174.8	-71	-172.4	-179.2	178.2	2.5	113.6
29	S	87.9	Confident	89.7	Confident	90 Å²	90	102.8 Å²	102.8	63%	0.629	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-7.7	174.4	45.3	0	0	0	0	113	S27 D31	S27-S29 PolarHBondContact O-N 3.3Å; S27-S29 PolarHBondContact OG-OG 3.43Å; S29-D31 WeakPolarHBondContact CB-OD2 3.37Å; S29-D31 PolarHBondContact OG-OD2 3.44Å
30	G	88.2	Confident	89.7	Confident	52 Å²	52	102.3 Å²	102.3	54%	0.536	55%	0.548	S	S	.	.	S	Bend	trans	90.2	-1.3	-175.2	0	0	0	0	0	113.8	S27	S27-G30 PolarHBondContact O-N 3.18Å; S27-G30 VanDerWaalsContact O-N 3.09Å
31	D	90.4	Very high	89.9	Confident	106 Å²	106	102.2 Å²	102.2	57%	0.567	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-75.6	142.1	178.3	-55	-48.3	0	0	0	111.1	S27 S29 C33	S27-D31 WeakPolarHBondContact CB-O 3.43Å; S27-D31 PolarHBondContact N-O 3.24Å; S27-D31 WeakPolarHBondContact OG-CB 3.49Å; S27-D31 PolarHBondContact OG-N 2.98Å; S27-D31 PolarHBondContact OG-O 3.32Å; S29-D31 WeakPolarHBondContact CB-OD2 3.37Å; S29-D31 PolarHBondContact OG-OD2 3.44Å; D31-C33 PolarHBondContact O-N 2.93Å
32	E	93.4	Very high	90.2	Very high	124 Å²	124	107.2 Å²	107.2	58%	0.579	56%	0.56	S	S	*	*	B	Isolated β-bridge	trans	-74.1	120.9	170.7	-177.1	166	-141	0	0	110.1	Q24 I26	Q24-E32 WeakPolarHBondContact CG-OE1 3.47Å; Q24-E32 PolarHBondContact NE2-OE1 3.32Å; I26-E32 HydrophobicContact CD1-CB 4.14Å; I26-E32 HydrophobicContact CD1-CG 4.41Å
33	C	92.9	Very high	90.5	Very high	40 Å²	40	103.1 Å²	103.1	27%	0.27	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-76.3	143.8	-177.9	-62.8	0	0	0	0	111.1	V25 D31	V25-C33 HydrophobicContact CB-CB 3.97Å; V25-C33 HydrophobicContact CG1-CB 4.04Å; V25-C33 WeakPolarHBondContact O-CB 3.16Å; V25-C33 PolarHBondContact O-N 3.2Å; D31-C33 PolarHBondContact O-N 2.93Å
34	V	92.4	Very high	90.8	Very high	111 Å²	111	97.9 Å²	97.9	67%	0.673	52%	0.522	S	S	*	.			trans	-117.7	164.5	172.8	-61.7	0	0	0	0	110.6
35	V	91.5	Very high	91	Very high	48 Å²	48	91.2 Å²	91.2	29%	0.291	49%	0.49	S	S	.	.			trans	-84.3	122.2	167.9	-172.8	0	0	0	0	108.6	M1 N19 P21	M1-V35 HydrophobicContact SD-CG1 4.37Å; M1-V35 HydrophobicContact SD-CG2 3.79Å; N19-V35 HydrophobicContact CB-CB 3.9Å; N19-V35 HydrophobicContact CB-CG1 3.64Å; N19-V35 HydrophobicContact CB-CG2 4.27Å; P21-V35 HydrophobicContact CG-CG2 4Å
36	A	89.8	Confident	91.3	Very high	67 Å²	67	88.8 Å²	88.8	55%	0.554	48%	0.479	S	S	*	.			trans	-116.5	137.3	175.5	0	0	0	0	0	110
37	L	89.8	Confident	91.6	Very high	182 Å²	182	87.5 Å²	87.5	95%	0.953	47%	0.473	S	S	*	.			trans	-90.2	104.9	164.8	-179.5	64.7	0	0	0	107.4
38	C	88.4	Confident	92.1	Very high	84 Å²	84	90.8 Å²	90.8	57%	0.568	48%	0.484	S	S	*	.			trans	-133.6	155.6	-176.3	55.8	0	0	0	0	111.9	Q40	C38-Q40 PolarHBondContact O-N 2.64Å
39	D	88.3	Confident	92.8	Very high	149 Å²	149	81 Å²	81	80%	0.797	46%	0.46	S	S	*	.			trans	-69.1	120.8	171.4	-63.1	-36.3	0	0	0	109.6	Y100	D39-Y100 PolarHBondContact O-OH 2.9Å
40	Q	88.7	Confident	93.3	Very high	55 Å²	55	78.8 Å²	78.8	26%	0.257	44%	0.438	S	S	.	.			trans	-155.4	131.6	-167.8	175.3	63.9	49.7	0	0	110	C38 A83 C85	C38-Q40 PolarHBondContact O-N 2.64Å; Q40-A83 HydrophobicContact CG-CB 3.68Å; Q40-C85 PolarHBondContact NE2-O 3.07Å; Q40-C85 PolarHBondContact NE2-SG 2.87Å; Q40-C85 PolarHBondContact OE1-O 2.91Å
41	W	95.2	Very high	93.7	Very high	111 Å²	111	76.5 Å²	76.5	42%	0.42	41%	0.413	S	S	.	.			trans	-71.2	137.5	167.7	-65.4	96.3	0	0	0	109.9	C84 L94 W96 D97 Y100	W41-C84 PolarHBondContact O-N 2.95Å; W41-C84 VanDerWaalsContact O-N 3.17Å; W41-C84 PolarHBondContact O-SG 2.76Å; W41-L94 HydrophobicContact CB-CD2 4.42Å; W41-L94 HydrophobicContact CD2-CD2 4.07Å; W41-L94 HydrophobicContact CG-CD2 3.82Å; W41-W96 AromaticContact CE2-NE1 3.67Å; W41-W96 AromaticContact CH2-CD1 3.98Å; W41-W96 AromaticContact CH2-NE1 3.49Å; W41-W96 AromaticContact CZ2-CD1 3.72Å; W41-W96 AromaticContact CZ2-NE1 3.41Å; W41-W96 AromaticContact CZ3-NE1 3.82Å; W41-D97 PolarHBondContact NE1-OD2 3.33Å; W41-D97 VanDerWaalsContact NE1-OD2 3.08Å; W41-Y100 AromaticContact CD1-CD2 3.66Å; W41-Y100 AromaticContact CD1-CE2 3.87Å; W41-Y100 AromaticContact NE1-CD2 3.9Å; W41-Y100 AromaticContact NE1-CE2 3.99Å
42	Y	95.4	Very high	94	Very high	128 Å²	128	75 Å²	75	50%	0.502	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.8	-179.5	64	-92.5	0	0	0	111.8	N44 E81 Y82	Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.05Å; Y42-E81 HydrophobicContact CD2-CB 3.54Å; Y42-E81 HydrophobicContact CD2-CG 3.53Å; Y42-E81 HydrophobicContact CE2-CB 4.02Å; Y42-E81 HydrophobicContact CE2-CG 3.43Å; Y42-E81 VanDerWaalsContact CE2-CG 3.43Å; Y42-E81 HydrophobicContact CG-CB 4.02Å; Y42-E81 HydrophobicContact CG-CG 4.33Å; Y42-Y82 CarbonylContact C-O 3.59Å; Y42-Y82 WeakPolarHBondContact CA-O 3.43Å; Y42-Y82 WeakPolarHBondContact CB-O 3.44Å
43	L	96.8	Very high	94.2	Very high	42 Å²	42	72 Å²	72	22%	0.22	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.2	167	-68.4	167.7	0	0	0	108.4	Y45 E81 Y82 C84	L43-Y45 VanDerWaalsContact C-N 3.3Å; L43-Y45 HydrophobicContact CB-CD2 4.33Å; L43-Y45 HydrophobicContact CB-CE1 4.17Å; L43-Y45 HydrophobicContact CB-CE2 3.97Å; L43-Y45 HydrophobicContact CD1-CE1 4.45Å; L43-Y45 HydrophobicContact CD1-CE2 4.25Å; L43-Y45 VanDerWaalsContact CD1-OH 3.27Å; L43-Y45 WeakPolarHBondContact CD1-OH 3.39Å; L43-Y45 PolarHBondContact O-N 3.46Å; L43-E81 WeakPolarHBondContact O-CA 3.45Å; L43-Y82 PolarHBondContact N-O 3.37Å; L43-Y82 PolarHBondContact O-N 2.82Å; L43-C84 HydrophobicContact CD1-CB 3.93Å; L43-C84 HydrophobicContact CG-CB 3.84Å
44	N	96.6	Very high	94.5	Very high	62 Å²	62	70.1 Å²	70.1	33%	0.332	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	66.3	-176.9	-172.7	15.5	0	0	0	111.9	Y42 G46 D47	Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.05Å; N44-G46 PolarHBondContact O-N 3.11Å; N44-G46 VanDerWaalsContact O-N 3.16Å; N44-G46 PolarHBondContact OD1-N 2.67Å; N44-D47 PolarHBondContact O-N 2.65Å; N44-D47 PolarHBondContact OD1-N 3.01Å
45	Y	97.5	Very high	94.7	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.1	174	-54.6	-54.2	0	0	0	113.1	L43 D47 W50 K51 L79 H80 Y82 F197 F200 N201	L43-Y45 VanDerWaalsContact C-N 3.3Å; L43-Y45 HydrophobicContact CB-CD2 4.33Å; L43-Y45 HydrophobicContact CB-CE1 4.17Å; L43-Y45 HydrophobicContact CB-CE2 3.97Å; L43-Y45 HydrophobicContact CD1-CE1 4.45Å; L43-Y45 HydrophobicContact CD1-CE2 4.25Å; L43-Y45 VanDerWaalsContact CD1-OH 3.27Å; L43-Y45 WeakPolarHBondContact CD1-OH 3.39Å; L43-Y45 PolarHBondContact O-N 3.46Å; Y45-D47 VanDerWaalsContact C-N 3.28Å; Y45-W50 HydrophobicContact CD1-CE3 4.24Å; Y45-W50 AromaticContact CD1-CH2 3.65Å; Y45-W50 HydrophobicContact CD1-CH2 3.65Å; Y45-W50 HydrophobicContact CD1-CZ2 4.06Å; Y45-W50 AromaticContact CD1-CZ3 3.74Å; Y45-W50 HydrophobicContact CD1-CZ3 3.74Å; Y45-W50 AromaticContact CE1-CH2 3.55Å; Y45-W50 HydrophobicContact CE1-CH2 3.55Å; Y45-W50 AromaticContact CE1-CZ2 3.93Å; Y45-W50 HydrophobicContact CE1-CZ2 3.93Å; Y45-W50 HydrophobicContact CE1-CZ3 4.1Å; Y45-K51 WeakPolarHBondContact O-CE 3.23Å; Y45-K51 WeakPolarHBondContact O-CG 3.38Å; Y45-L79 HydrophobicContact CD2-CD2 3.46Å; Y45-L79 VanDerWaalsContact CD2-CD2 3.46Å; Y45-L79 HydrophobicContact CD2-CG 4.16Å; Y45-L79 HydrophobicContact CE2-CD2 4.2Å; Y45-L79 HydrophobicContact CG-CD2 3.66Å; Y45-L79 HydrophobicContact CG-CG 4.46Å; Y45-H80 WeakPolarHBondContact CB-O 3.36Å; Y45-H80 PolarHBondContact N-O 3.23Å; Y45-Y82 HydrophobicContact CE2-CG 4.31Å; Y45-F197 HydrophobicContact CD2-CD1 4.12Å; Y45-F197 HydrophobicContact CD2-CE1 4.18Å; Y45-F197 AromaticContact CE2-CD1 3.47Å; Y45-F197 HydrophobicContact CE2-CD1 3.47Å; Y45-F197 VanDerWaalsContact CE2-CD1 3.47Å; Y45-F197 AromaticContact CE2-CE1 3.76Å; Y45-F197 HydrophobicContact CE2-CE1 3.76Å; Y45-F197 HydrophobicContact CE2-CG 4.01Å; Y45-F197 HydrophobicContact CE2-CZ 4.47Å; Y45-F197 AromaticContact CZ-CD1 3.87Å; Y45-F200 HydrophobicContact CD1-CB 3.68Å; Y45-F200 AromaticContact CD1-CD1 3.69Å; Y45-F200 HydrophobicContact CD1-CD1 3.69Å; Y45-F200 HydrophobicContact CD1-CD2 4.04Å; Y45-F200 HydrophobicContact CD1-CE1 4.3Å; Y45-F200 AromaticContact CD1-CG 3.55Å; Y45-F200 HydrophobicContact CD1-CG 3.55Å; Y45-F200 HydrophobicContact CE1-CB 3.55Å; Y45-F200 HydrophobicContact CE1-CD1 4.44Å; Y45-F200 HydrophobicContact CE1-CD2 4.46Å; Y45-F200 AromaticContact CE1-CG 3.95Å; Y45-F200 HydrophobicContact CE1-CG 3.95Å; Y45-F200 HydrophobicContact CG-CD1 4.39Å; Y45-F200 HydrophobicContact CG-CD2 4.36Å; Y45-F200 HydrophobicContact CG-CG 4.28Å; Y45-N201 PolarHBondContact OH-ND2 3.4Å
46	G	96.3	Very high	95	Very high	15 Å²	15	71.4 Å²	71.4	16%	0.155	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.5	171.6	0	0	0	0	0	114.5	N44 E48 H80	N44-G46 PolarHBondContact O-N 3.11Å; N44-G46 VanDerWaalsContact O-N 3.16Å; N44-G46 PolarHBondContact OD1-N 2.67Å; G46-E48 PolarHBondContact O-N 3.3Å; G46-H80 PolarHBondContact N-O 2.63Å
47	D	97.3	Very high	95.4	Very high	68 Å²	68	68.3 Å²	68.3	36%	0.364	34%	0.343	S	S	.	.			trans	-62.9	123.8	178.9	-178.6	-95.6	0	0	0	111.8	N44 Y45 A49 W50 K51	N44-D47 PolarHBondContact O-N 2.65Å; N44-D47 PolarHBondContact OD1-N 3.01Å; Y45-D47 VanDerWaalsContact C-N 3.28Å; D47-A49 PolarHBondContact O-N 3.07Å; D47-A49 WeakPolarHBondContact OD1-CB 3.43Å; D47-A49 PolarHBondContact OD1-N 2.99Å; D47-A49 VanDerWaalsContact OD1-N 3.09Å; D47-W50 HydrophobicContact CB-CB 4.07Å; D47-W50 PolarHBondContact O-N 3.17Å; D47-W50 PolarHBondContact OD1-N 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.33Å; D47-K51 PolarHBondContact O-N 3.02Å
48	E	96.7	Very high	95.7	Very high	106 Å²	106	59.8 Å²	59.8	50%	0.495	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-37.7	-174.5	-74.9	-58.9	145.5	0	0	112.9	G46 K51 I52 R55	G46-E48 PolarHBondContact O-N 3.3Å; E48-K51 PolarHBondContact O-N 3.16Å; E48-I52 WeakPolarHBondContact O-CG1 3.48Å; E48-I52 PolarHBondContact O-N 3.42Å; E48-R55 IonicContact OE2-NH2 3.22Å
49	A	96.2	Very high	96.1	Very high	60 Å²	60	60.7 Å²	60.7	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-66.5	-42.2	178.3	0	0	0	0	0	110.6	D47 I52 E53	D47-A49 PolarHBondContact O-N 3.07Å; D47-A49 WeakPolarHBondContact OD1-CB 3.43Å; D47-A49 PolarHBondContact OD1-N 2.99Å; D47-A49 VanDerWaalsContact OD1-N 3.09Å; A49-I52 PolarHBondContact O-N 3.41Å; A49-E53 PolarHBondContact O-N 3.47Å
50	W	96.8	Very high	96.5	Very high	44 Å²	44	61 Å²	61	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-40.7	176.8	-163.4	4.8	0	0	0	112.4	Y45 D47 I52 E53 T54 F200 A204	Y45-W50 HydrophobicContact CD1-CE3 4.24Å; Y45-W50 AromaticContact CD1-CH2 3.65Å; Y45-W50 HydrophobicContact CD1-CH2 3.65Å; Y45-W50 HydrophobicContact CD1-CZ2 4.06Å; Y45-W50 AromaticContact CD1-CZ3 3.74Å; Y45-W50 HydrophobicContact CD1-CZ3 3.74Å; Y45-W50 AromaticContact CE1-CH2 3.55Å; Y45-W50 HydrophobicContact CE1-CH2 3.55Å; Y45-W50 AromaticContact CE1-CZ2 3.93Å; Y45-W50 HydrophobicContact CE1-CZ2 3.93Å; Y45-W50 HydrophobicContact CE1-CZ3 4.1Å; D47-W50 HydrophobicContact CB-CB 4.07Å; D47-W50 PolarHBondContact O-N 3.17Å; D47-W50 PolarHBondContact OD1-N 3.26Å; W50-I52 VanDerWaalsContact C-N 3.34Å; W50-I52 PolarHBondContact O-N 3.36Å; W50-E53 PolarHBondContact O-N 3.09Å; W50-T54 WeakPolarHBondContact O-CB 3.36Å; W50-T54 PolarHBondContact O-N 3.39Å; W50-T54 PolarHBondContact O-OG1 3.33Å; W50-F200 AromaticContact CD1-CD1 3.77Å; W50-F200 AromaticContact CD2-CD1 3.82Å; W50-F200 HydrophobicContact CD2-CD1 3.82Å; W50-F200 HydrophobicContact CD2-CE1 4.49Å; W50-F200 AromaticContact CE2-CD1 3.7Å; W50-F200 AromaticContact CG-CD1 3.87Å; W50-F200 HydrophobicContact CG-CD1 3.87Å; W50-F200 HydrophobicContact CG-CE1 4.3Å; W50-F200 HydrophobicContact CZ2-CB 3.84Å; W50-F200 HydrophobicContact CZ2-CD1 4.32Å; W50-F200 WeakPolarHBondContact CZ2-O 3.44Å; W50-F200 AromaticContact NE1-CD1 3.64Å; W50-F200 PolarHBondContact NE1-O 3Å; W50-A204 HydrophobicContact CH2-CB 4.41Å; W50-A204 HydrophobicContact CZ2-CB 3.51Å
51	K	97.6	Very high	96.8	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-40.7	172.5	-78.2	-174.2	174.4	-176.3	0	112.5	Y45 D47 E48 T54 R55 V76 E77 L79 F200	Y45-K51 WeakPolarHBondContact O-CE 3.23Å; Y45-K51 WeakPolarHBondContact O-CG 3.38Å; D47-K51 WeakPolarHBondContact O-CG 3.33Å; D47-K51 PolarHBondContact O-N 3.02Å; E48-K51 PolarHBondContact O-N 3.16Å; K51-T54 PolarHBondContact O-N 3.41Å; K51-R55 WeakPolarHBondContact O-CB 3.5Å; K51-R55 WeakPolarHBondContact O-CG 3.46Å; K51-R55 PolarHBondContact O-N 2.91Å; K51-R55 PolarHBondContact O-NE 3.41Å; K51-V76 WeakPolarHBondContact CE-O 3.5Å; K51-E77 PolarHBondContact NZ-O 2.71Å; K51-L79 WeakPolarHBondContact CE-O 3.46Å; K51-L79 PolarHBondContact NZ-O 2.98Å; K51-F200 HydrophobicContact CG-CE1 4.05Å; K51-F200 HydrophobicContact CG-CZ 4.04Å
52	I	97.4	Very high	96.9	Very high	74 Å²	74	57.1 Å²	57.1	38%	0.379	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-50.6	177.2	-72.6	165	0	0	0	110.6	E48 A49 W50 T54 R55 K56	E48-I52 WeakPolarHBondContact O-CG1 3.48Å; E48-I52 PolarHBondContact O-N 3.42Å; A49-I52 PolarHBondContact O-N 3.41Å; W50-I52 VanDerWaalsContact C-N 3.34Å; W50-I52 PolarHBondContact O-N 3.36Å; I52-T54 VanDerWaalsContact C-N 3.32Å; I52-T54 PolarHBondContact O-N 3.1Å; I52-R55 PolarHBondContact O-N 3.4Å; I52-K56 PolarHBondContact O-N 3.21Å
53	E	97.5	Very high	97	Very high	62 Å²	62	51.4 Å²	51.4	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-35.7	-179.3	-61.9	-51.5	129.9	0	0	112	A49 W50 R55 K56 A57 V203	A49-E53 PolarHBondContact O-N 3.47Å; W50-E53 PolarHBondContact O-N 3.09Å; E53-R55 PolarHBondContact O-N 3.21Å; E53-K56 WeakPolarHBondContact O-CB 3.45Å; E53-K56 PolarHBondContact O-N 2.91Å; E53-K56 IonicContact OE1-NZ 2.78Å; E53-K56 PolarHBondContact OE1-NZ 3.25Å; E53-K56 WeakPolarHBondContact OE2-CD 3.43Å; E53-K56 IonicContact OE2-NZ 2.77Å; E53-K56 PolarHBondContact OE2-NZ 3.12Å; E53-A57 PolarHBondContact O-N 2.9Å; E53-A57 VanDerWaalsContact O-N 3.11Å; E53-V203 HydrophobicContact CB-CG1 3.26Å; E53-V203 HydrophobicContact CG-CG1 4.36Å
54	T	97.9	Very high	96.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-37.3	176.4	-53.7	0	0	0	0	112	W50 K51 I52 K56 A57 V58 V76 L199 F200	W50-T54 WeakPolarHBondContact O-CB 3.36Å; W50-T54 PolarHBondContact O-N 3.39Å; W50-T54 PolarHBondContact O-OG1 3.33Å; K51-T54 PolarHBondContact O-N 3.41Å; I52-T54 VanDerWaalsContact C-N 3.32Å; I52-T54 PolarHBondContact O-N 3.1Å; T54-K56 VanDerWaalsContact C-N 3.34Å; T54-K56 PolarHBondContact O-N 3.44Å; T54-A57 WeakPolarHBondContact O-CB 3.3Å; T54-A57 PolarHBondContact O-N 2.82Å; T54-A57 VanDerWaalsContact O-N 3.12Å; T54-V58 WeakPolarHBondContact O-CG2 3.45Å; T54-V58 PolarHBondContact O-N 2.92Å; T54-V76 HydrophobicContact CG2-CG1 4.18Å; T54-V76 HydrophobicContact CG2-CG2 3.92Å; T54-L199 HydrophobicContact CG2-CB 3.98Å; T54-F200 HydrophobicContact CG2-CD1 4.1Å; T54-F200 HydrophobicContact CG2-CD2 3.91Å; T54-F200 HydrophobicContact CG2-CE1 4.27Å; T54-F200 HydrophobicContact CG2-CE2 4.06Å; T54-F200 HydrophobicContact CG2-CG 3.92Å; T54-F200 HydrophobicContact CG2-CZ 4.24Å; T54-F200 WeakPolarHBondContact OG1-CD1 3.47Å
55	R	97.5	Very high	96.6	Very high	89 Å²	89	52.9 Å²	52.9	34%	0.336	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-44.2	171.6	-79.5	179.6	-76.4	-176.6	-11.3	111.8	E48 K51 I52 E53 A57 V58 D59 V76 E77	E48-R55 IonicContact OE2-NH2 3.22Å; K51-R55 WeakPolarHBondContact O-CB 3.5Å; K51-R55 WeakPolarHBondContact O-CG 3.46Å; K51-R55 PolarHBondContact O-N 2.91Å; K51-R55 PolarHBondContact O-NE 3.41Å; I52-R55 PolarHBondContact O-N 3.4Å; E53-R55 PolarHBondContact O-N 3.21Å; R55-A57 PolarHBondContact O-N 3.31Å; R55-V58 PolarHBondContact O-N 2.75Å; R55-V58 VanDerWaalsContact O-N 3.13Å; R55-D59 PolarHBondContact O-N 3.42Å; R55-V76 HydrophobicContact CG-CG1 3.96Å; R55-E77 IonicContact NH1-OE2 2.6Å
56	K	97.2	Very high	96.5	Very high	97 Å²	97	59.5 Å²	59.5	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-37.1	174.6	-63.4	175.4	-170	165.5	0	112.1	I52 E53 T54 R60 W213	I52-K56 PolarHBondContact O-N 3.21Å; E53-K56 WeakPolarHBondContact O-CB 3.45Å; E53-K56 PolarHBondContact O-N 2.91Å; E53-K56 IonicContact OE1-NZ 2.78Å; E53-K56 PolarHBondContact OE1-NZ 3.25Å; E53-K56 WeakPolarHBondContact OE2-CD 3.43Å; E53-K56 IonicContact OE2-NZ 2.77Å; E53-K56 PolarHBondContact OE2-NZ 3.12Å; T54-K56 VanDerWaalsContact C-N 3.34Å; T54-K56 PolarHBondContact O-N 3.44Å; K56-R60 WeakPolarHBondContact O-CG 3.48Å; K56-R60 PolarHBondContact O-N 2.97Å; K56-W213 HydrophobicContact CB-CZ3 4.17Å
57	A	97.5	Very high	96.4	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-44.2	175.1	0	0	0	0	0	111.8	E53 T54 R55 D59 R60 L61 V203 W213	E53-A57 PolarHBondContact O-N 2.9Å; E53-A57 VanDerWaalsContact O-N 3.11Å; T54-A57 WeakPolarHBondContact O-CB 3.3Å; T54-A57 PolarHBondContact O-N 2.82Å; T54-A57 VanDerWaalsContact O-N 3.12Å; R55-A57 PolarHBondContact O-N 3.31Å; A57-D59 VanDerWaalsContact C-N 3.33Å; A57-D59 PolarHBondContact O-N 3.15Å; A57-R60 PolarHBondContact O-N 2.83Å; A57-L61 PolarHBondContact O-N 3.26Å; A57-V203 HydrophobicContact CB-CG2 3.69Å; A57-W213 HydrophobicContact CB-CD2 4.35Å; A57-W213 HydrophobicContact CB-CE3 3.63Å; A57-W213 HydrophobicContact CB-CZ3 3.95Å
58	V	97.4	Very high	96.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-40.9	175.2	175.2	0	0	0	0	111.7	T54 R55 R60 L61 K69 L72 V76 L199	T54-V58 WeakPolarHBondContact O-CG2 3.45Å; T54-V58 PolarHBondContact O-N 2.92Å; R55-V58 PolarHBondContact O-N 2.75Å; R55-V58 VanDerWaalsContact O-N 3.13Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 2.85Å; V58-L61 WeakPolarHBondContact O-CB 3.25Å; V58-L61 PolarHBondContact O-N 3.14Å; V58-K69 HydrophobicContact CG1-CG 4.45Å; V58-L72 HydrophobicContact CG1-CB 4.33Å; V58-V76 HydrophobicContact CG2-CG2 4.12Å; V58-L199 HydrophobicContact CG2-CD1 3.6Å
59	D	96.7	Very high	96.3	Very high	104 Å²	104	55.8 Å²	55.8	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-64.2	-35.6	-177.5	-74.8	-27.2	0	0	0	113	R55 A57 K69	R55-D59 PolarHBondContact O-N 3.42Å; A57-D59 VanDerWaalsContact C-N 3.33Å; A57-D59 PolarHBondContact O-N 3.15Å; D59-K69 PolarHBondContact O-NZ 3.39Å; D59-K69 VanDerWaalsContact O-NZ 3.1Å
60	R	96.1	Very high	96.4	Very high	154 Å²	154	59.4 Å²	59.4	58%	0.581	28%	0.281	S	S	*	.	H	α-helix	trans	-80.2	-15.8	179	-68.6	172.2	62.5	157.3	-5.6	113.8	K56 A57 V58 T210	K56-R60 WeakPolarHBondContact O-CG 3.48Å; K56-R60 PolarHBondContact O-N 2.97Å; A57-R60 PolarHBondContact O-N 2.83Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 2.85Å; R60-T210 VanDerWaalsContact NH1-CB 3.25Å; R60-T210 PolarHBondContact NH1-OG1 3.4Å; R60-T210 PolarHBondContact NH2-OG1 3.46Å
61	L	96.4	Very high	96.3	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	28%	0.284	C	S	.	.			trans	-75.1	132.8	-172.8	-167	76	0	0	0	111.1	A57 V58 T63 L72 L199 P214 I217	A57-L61 PolarHBondContact O-N 3.26Å; V58-L61 WeakPolarHBondContact O-CB 3.25Å; V58-L61 PolarHBondContact O-N 3.14Å; L61-T63 HydrophobicContact CD2-CG2 3.84Å; L61-T63 HydrophobicContact CG-CG2 4.24Å; L61-L72 HydrophobicContact CD2-CD1 3.96Å; L61-L199 HydrophobicContact CD2-CD1 4.43Å; L61-P214 HydrophobicContact CD1-CB 4.24Å; L61-P214 WeakPolarHBondContact CD1-O 3.38Å; L61-I217 HydrophobicContact CD1-CG1 4.17Å; L61-I217 HydrophobicContact CD2-CB 3.96Å; L61-I217 HydrophobicContact CD2-CD1 3.59Å; L61-I217 HydrophobicContact CD2-CG1 3.72Å; L61-I217 HydrophobicContact CG-CG1 4.39Å
62	N	97	Very high	96.3	Very high	79 Å²	79	59.3 Å²	59.3	42%	0.422	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-79.7	117.3	164.2	-179.1	10.8	0	0	0	109.5	Y64 K215 S216 I217	N62-Y64 WeakPolarHBondContact ND2-CE1 3.29Å; N62-Y64 VanDerWaalsContact ND2-CZ 3.29Å; N62-Y64 PolarHBondContact OD1-N 2.85Å; N62-Y64 VanDerWaalsContact OD1-N 3.08Å; N62-K215 PolarHBondContact N-O 2.92Å; N62-S216 CarbonylContact O-C 3.52Å; N62-S216 WeakPolarHBondContact O-CA 3.36Å; N62-S216 VanDerWaalsContact O-CB 3.22Å; N62-S216 WeakPolarHBondContact O-CB 3.26Å; N62-I217 PolarHBondContact O-N 3.31Å
63	T	96.1	Very high	96.3	Very high	8 Å²	8	58 Å²	58	5%	0.049	28%	0.28	C	S	.	.			trans	-105.4	-3	-179.1	60	0	0	0	0	114.1	L61 N65 V68 K69 L72 I217	L61-T63 HydrophobicContact CD2-CG2 3.84Å; L61-T63 HydrophobicContact CG-CG2 4.24Å; T63-N65 PolarHBondContact O-N 3.35Å; T63-N65 PolarHBondContact OG1-O 3.26Å; T63-V68 HydrophobicContact CG2-CG1 4.3Å; T63-K69 HydrophobicContact CG2-CB 4.05Å; T63-L72 HydrophobicContact CG2-CD1 4.25Å; T63-I217 CarbonylContact C-O 3.55Å; T63-I217 VanDerWaalsContact CA-O 3.29Å; T63-I217 WeakPolarHBondContact CA-O 3.45Å
64	Y	94.3	Very high	96.3	Very high	77 Å²	77	57.3 Å²	57.3	30%	0.302	29%	0.286	S	S	.	.	S	Bend	trans	56.5	-10.6	-175.5	-55	-92.8	0	0	0	116.3	N62 L183 W218 M328	N62-Y64 WeakPolarHBondContact ND2-CE1 3.29Å; N62-Y64 VanDerWaalsContact ND2-CZ 3.29Å; N62-Y64 PolarHBondContact OD1-N 2.85Å; N62-Y64 VanDerWaalsContact OD1-N 3.08Å; Y64-L183 HydrophobicContact CE2-CD1 4.12Å; Y64-W218 HydrophobicContact CD2-CB 4.05Å; Y64-W218 AromaticContact CD2-CD1 3.96Å; Y64-W218 HydrophobicContact CD2-CG 4.45Å; Y64-W218 HydrophobicContact CE2-CB 4.32Å; Y64-W218 AromaticContact CG-CD1 3.96Å; Y64-M328 HydrophobicContact CD1-CB 4.48Å; Y64-M328 HydrophobicContact CD1-CG 4.27Å; Y64-M328 HydrophobicContact CD1-SD 4.34Å; Y64-M328 HydrophobicContact CD2-SD 4.32Å; Y64-M328 HydrophobicContact CE1-CE 4.02Å; Y64-M328 HydrophobicContact CE1-CG 3.91Å; Y64-M328 HydrophobicContact CE1-SD 3.89Å; Y64-M328 HydrophobicContact CE2-CE 4.11Å; Y64-M328 HydrophobicContact CE2-SD 3.86Å; Y64-M328 WeakPolarHBondContact OH-CE 3.31Å
65	N	92.3	Very high	96.3	Very high	57 Å²	57	57.8 Å²	57.8	31%	0.305	29%	0.289	S	S	.	.	S	Bend	trans	-150.5	133.4	179.9	-171.4	-59.6	0	0	0	109.7	T63 S67 V68 K69	T63-N65 PolarHBondContact O-N 3.35Å; T63-N65 PolarHBondContact OG1-O 3.26Å; N65-S67 VanDerWaalsContact C-N 3.31Å; N65-S67 PolarHBondContact O-N 2.95Å; N65-S67 WeakPolarHBondContact OD1-CA 3.45Å; N65-S67 WeakPolarHBondContact OD1-CB 3.42Å; N65-S67 PolarHBondContact OD1-N 3.21Å; N65-V68 HydrophobicContact CB-CG2 4.04Å; N65-V68 PolarHBondContact O-N 2.89Å; N65-K69 PolarHBondContact O-N 2.84Å
66	D	93.9	Very high	96.2	Very high	139 Å²	139	53.5 Å²	53.5	74%	0.743	27%	0.273	S	S	*	.	H	α-helix	trans	-66.1	-32.2	-178.4	-68.2	-30.6	0	0	0	112.8	V68 K69 H70	D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 2.97Å; D66-K69 PolarHBondContact O-N 3.09Å; D66-H70 WeakPolarHBondContact O-CB 3.3Å; D66-H70 PolarHBondContact O-N 2.74Å
67	S	94.7	Very high	96.2	Very high	49 Å²	49	53.7 Å²	53.7	34%	0.343	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-39.2	176.8	-173.9	0	0	0	0	111.3	N65 H70 N71	N65-S67 VanDerWaalsContact C-N 3.31Å; N65-S67 PolarHBondContact O-N 2.95Å; N65-S67 WeakPolarHBondContact OD1-CA 3.45Å; N65-S67 WeakPolarHBondContact OD1-CB 3.42Å; N65-S67 PolarHBondContact OD1-N 3.21Å; S67-H70 PolarHBondContact O-N 3.45Å; S67-N71 WeakPolarHBondContact O-CB 3.19Å; S67-N71 PolarHBondContact O-N 2.81Å; S67-N71 PolarHBondContact O-ND2 3.04Å; S67-N71 PolarHBondContact OG-ND2 3.28Å
68	V	96.1	Very high	96	Very high	1 Å²	1	60 Å²	60	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-45.3	176.2	178.7	0	0	0	0	110.4	T63 N65 D66 H70 N71 L72 I191 A219 I263	T63-V68 HydrophobicContact CG2-CG1 4.3Å; N65-V68 HydrophobicContact CB-CG2 4.04Å; N65-V68 PolarHBondContact O-N 2.89Å; D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 2.97Å; V68-H70 VanDerWaalsContact C-N 3.34Å; V68-H70 PolarHBondContact O-N 3.18Å; V68-N71 PolarHBondContact O-N 2.88Å; V68-L72 HydrophobicContact CG1-CD1 4.15Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 2.83Å; V68-I191 HydrophobicContact CG1-CD1 4.19Å; V68-I191 HydrophobicContact CG2-CD1 4.29Å; V68-A219 HydrophobicContact CG1-CB 4.15Å; V68-A219 HydrophobicContact CG2-CB 3.84Å; V68-I263 HydrophobicContact CG2-CD1 3.78Å; V68-I263 HydrophobicContact CG2-CG1 4.46Å
69	K	96.6	Very high	95.9	Very high	62 Å²	62	60.3 Å²	60.3	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177.2	-169.9	165.4	-173.5	164.4	0	111.9	V58 D59 T63 N65 D66 L72 S73	V58-K69 HydrophobicContact CG1-CG 4.45Å; D59-K69 PolarHBondContact O-NZ 3.39Å; D59-K69 VanDerWaalsContact O-NZ 3.1Å; T63-K69 HydrophobicContact CG2-CB 4.05Å; N65-K69 PolarHBondContact O-N 2.84Å; D66-K69 PolarHBondContact O-N 3.09Å; K69-L72 PolarHBondContact O-N 3.36Å; K69-S73 WeakPolarHBondContact O-CB 3.27Å; K69-S73 PolarHBondContact O-N 3.07Å; K69-S73 PolarHBondContact O-OG 3.47Å
70	H	96.7	Very high	95.7	Very high	136 Å²	136	60.5 Å²	60.5	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-64	-45.7	177.9	-171.5	70.6	0	0	0	111.9	D66 S67 V68 L72 S73 A74	D66-H70 WeakPolarHBondContact O-CB 3.3Å; D66-H70 PolarHBondContact O-N 2.74Å; S67-H70 PolarHBondContact O-N 3.45Å; V68-H70 VanDerWaalsContact C-N 3.34Å; V68-H70 PolarHBondContact O-N 3.18Å; H70-L72 PolarHBondContact O-N 2.81Å; H70-S73 PolarHBondContact O-N 2.93Å; H70-A74 WeakPolarHBondContact O-CB 3.47Å; H70-A74 PolarHBondContact O-N 3.3Å
71	N	96.5	Very high	95.6	Very high	45 Å²	45	58.7 Å²	58.7	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-42.3	177.5	-83.6	-84.2	0	0	0	112.3	S67 V68 T75 I191	S67-N71 WeakPolarHBondContact O-CB 3.19Å; S67-N71 PolarHBondContact O-N 2.81Å; S67-N71 PolarHBondContact O-ND2 3.04Å; S67-N71 PolarHBondContact OG-ND2 3.28Å; V68-N71 PolarHBondContact O-N 2.88Å; N71-T75 VanDerWaalsContact O-CB 3.31Å; N71-T75 WeakPolarHBondContact O-CB 3.45Å; N71-T75 PolarHBondContact O-N 3.44Å; N71-T75 PolarHBondContact O-OG1 3.05Å; N71-I191 HydrophobicContact CB-CG2 3.73Å
72	L	97.3	Very high	95.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-48	174.7	-77.6	170.8	0	0	0	111.3	V58 L61 T63 V68 K69 H70 A74 T75 V76 I191 L195 L199 I217	V58-L72 HydrophobicContact CG1-CB 4.33Å; L61-L72 HydrophobicContact CD2-CD1 3.96Å; T63-L72 HydrophobicContact CG2-CD1 4.25Å; V68-L72 HydrophobicContact CG1-CD1 4.15Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 2.83Å; K69-L72 PolarHBondContact O-N 3.36Å; H70-L72 PolarHBondContact O-N 2.81Å; L72-A74 PolarHBondContact O-N 2.82Å; L72-T75 PolarHBondContact O-N 2.83Å; L72-V76 WeakPolarHBondContact O-CG2 3.24Å; L72-V76 PolarHBondContact O-N 3.16Å; L72-I191 HydrophobicContact CD2-CG2 3.86Å; L72-I191 HydrophobicContact CG-CG2 3.89Å; L72-L195 HydrophobicContact CD2-CB 4.16Å; L72-L199 HydrophobicContact CD2-CD1 4.41Å; L72-I217 HydrophobicContact CD1-CD1 4.24Å
73	S	97.3	Very high	95.4	Very high	46 Å²	46	58.8 Å²	58.8	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-45.9	179.9	-55.3	0	0	0	0	111.8	K69 H70 T75 V76 E77	K69-S73 WeakPolarHBondContact O-CB 3.27Å; K69-S73 PolarHBondContact O-N 3.07Å; K69-S73 PolarHBondContact O-OG 3.47Å; H70-S73 PolarHBondContact O-N 2.93Å; S73-T75 VanDerWaalsContact C-N 3.32Å; S73-T75 PolarHBondContact O-N 2.91Å; S73-V76 PolarHBondContact O-N 3.23Å; S73-E77 PolarHBondContact O-N 3.4Å; S73-E77 VanDerWaalsContact O-N 3.11Å
74	A	97.3	Very high	95.3	Very high	49 Å²	49	59.1 Å²	59.1	41%	0.405	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-39.5	176.3	0	0	0	0	0	111.9	H70 L72 E77 W78	H70-A74 WeakPolarHBondContact O-CB 3.47Å; H70-A74 PolarHBondContact O-N 3.3Å; L72-A74 PolarHBondContact O-N 2.82Å; A74-E77 PolarHBondContact O-N 2.84Å; A74-W78 VanDerWaalsContact O-CB 3.29Å; A74-W78 WeakPolarHBondContact O-CB 3.26Å; A74-W78 PolarHBondContact O-N 3.12Å
75	T	96.7	Very high	95.2	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-45.3	177.3	-58.5	0	0	0	0	111.2	N71 L72 S73 E77 W78 L79 Q192 A196	N71-T75 VanDerWaalsContact O-CB 3.31Å; N71-T75 WeakPolarHBondContact O-CB 3.45Å; N71-T75 PolarHBondContact O-N 3.44Å; N71-T75 PolarHBondContact O-OG1 3.05Å; L72-T75 PolarHBondContact O-N 2.83Å; S73-T75 VanDerWaalsContact C-N 3.32Å; S73-T75 PolarHBondContact O-N 2.91Å; T75-E77 VanDerWaalsContact C-N 3.29Å; T75-E77 PolarHBondContact O-N 3.19Å; T75-W78 PolarHBondContact O-N 3.33Å; T75-L79 HydrophobicContact CG2-CD1 3.99Å; T75-L79 WeakPolarHBondContact O-CB 3.45Å; T75-L79 PolarHBondContact O-N 2.82Å; T75-Q192 HydrophobicContact CG2-CB 4.45Å; T75-Q192 WeakPolarHBondContact CG2-O 3.49Å; T75-A196 HydrophobicContact CG2-CB 3.64Å
76	V	96.8	Very high	95	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-40.6	178.2	169	0	0	0	0	111.3	K51 T54 R55 V58 L72 S73 F200	K51-V76 WeakPolarHBondContact CE-O 3.5Å; T54-V76 HydrophobicContact CG2-CG1 4.18Å; T54-V76 HydrophobicContact CG2-CG2 3.92Å; R55-V76 HydrophobicContact CG-CG1 3.96Å; V58-V76 HydrophobicContact CG2-CG2 4.12Å; L72-V76 WeakPolarHBondContact O-CG2 3.24Å; L72-V76 PolarHBondContact O-N 3.16Å; S73-V76 PolarHBondContact O-N 3.23Å; V76-F200 HydrophobicContact CB-CE2 4.35Å; V76-F200 HydrophobicContact CB-CZ 4.49Å; V76-F200 HydrophobicContact CG1-CE2 4.23Å; V76-F200 HydrophobicContact CG1-CZ 3.93Å; V76-F200 HydrophobicContact CG2-CE2 3.99Å
77	E	95.9	Very high	94.7	Very high	101 Å²	101	56.3 Å²	56.3	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-68.4	-42.8	177.9	-168.6	61.1	-152.1	0	0	111.9	K51 R55 S73 A74 T75	K51-E77 PolarHBondContact NZ-O 2.71Å; R55-E77 IonicContact NH1-OE2 2.6Å; S73-E77 PolarHBondContact O-N 3.4Å; S73-E77 VanDerWaalsContact O-N 3.11Å; A74-E77 PolarHBondContact O-N 2.84Å; T75-E77 VanDerWaalsContact C-N 3.29Å; T75-E77 PolarHBondContact O-N 3.19Å
78	W	94.4	Very high	94.4	Very high	136 Å²	136	63 Å²	63	52%	0.515	31%	0.312	S	S	.	.	H	α-helix	trans	-74.3	-24.5	-178.1	177.9	85.7	0	0	0	114.1	H2 A74 T75 H80	H2-W78 AromaticContact CE1-NE1 3.57Å; H2-W78 AromaticContact NE2-NE1 3.35Å; H2-W78 PolarHBondContact NE2-NE1 2.95Å; A74-W78 VanDerWaalsContact O-CB 3.29Å; A74-W78 WeakPolarHBondContact O-CB 3.26Å; A74-W78 PolarHBondContact O-N 3.12Å; T75-W78 PolarHBondContact O-N 3.33Å; W78-H80 PolarHBondContact O-CD2 2.78Å
79	L	94.3	Very high	94.1	Very high	7 Å²	7	65 Å²	65	4%	0.037	33%	0.334	C	S	.	.			trans	-63.9	140	-174.7	-132.5	66.4	0	0	0	112.2	Y45 K51 T75 F197 F200	Y45-L79 HydrophobicContact CD2-CD2 3.46Å; Y45-L79 VanDerWaalsContact CD2-CD2 3.46Å; Y45-L79 HydrophobicContact CD2-CG 4.16Å; Y45-L79 HydrophobicContact CE2-CD2 4.2Å; Y45-L79 HydrophobicContact CG-CD2 3.66Å; Y45-L79 HydrophobicContact CG-CG 4.46Å; K51-L79 WeakPolarHBondContact CE-O 3.46Å; K51-L79 PolarHBondContact NZ-O 2.98Å; T75-L79 HydrophobicContact CG2-CD1 3.99Å; T75-L79 WeakPolarHBondContact O-CB 3.45Å; T75-L79 PolarHBondContact O-N 2.82Å; L79-F197 HydrophobicContact CD1-CE1 4.07Å; L79-F197 HydrophobicContact CD2-CD1 3.79Å; L79-F197 HydrophobicContact CD2-CE1 3.61Å; L79-F197 HydrophobicContact CG-CE1 4.3Å; L79-F200 HydrophobicContact CB-CE2 4.35Å; L79-F200 HydrophobicContact CB-CZ 4.49Å; L79-F200 HydrophobicContact CD2-CD2 3.92Å; L79-F200 HydrophobicContact CD2-CE2 3.53Å; L79-F200 HydrophobicContact CD2-CZ 4.28Å
80	H	93	Very high	93.8	Very high	108 Å²	108	70.5 Å²	70.5	50%	0.5	37%	0.365	S	S	.	.			trans	-130.6	-141.8	175.8	-71.3	-76.3	0	0	0	109.4	Y45 G46 W78 Y82	Y45-H80 WeakPolarHBondContact CB-O 3.36Å; Y45-H80 PolarHBondContact N-O 3.23Å; G46-H80 PolarHBondContact N-O 2.63Å; W78-H80 PolarHBondContact O-CD2 2.78Å; H80-Y82 PolarHBondContact O-N 2.77Å
81	E	93.8	Very high	93.6	Very high	116 Å²	116	66.2 Å²	66.2	54%	0.542	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.4	174.3	-56.8	83.7	178.6	0	0	111	Y42 L43	Y42-E81 HydrophobicContact CD2-CB 3.54Å; Y42-E81 HydrophobicContact CD2-CG 3.53Å; Y42-E81 HydrophobicContact CE2-CB 4.02Å; Y42-E81 HydrophobicContact CE2-CG 3.43Å; Y42-E81 VanDerWaalsContact CE2-CG 3.43Å; Y42-E81 HydrophobicContact CG-CB 4.02Å; Y42-E81 HydrophobicContact CG-CG 4.33Å; L43-E81 WeakPolarHBondContact O-CA 3.45Å
82	Y	94.7	Very high	93.5	Very high	54 Å²	54	68.2 Å²	68.2	21%	0.212	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.5	176	-173.3	-91.3	0	0	0	110.9	Y42 L43 Y45 H80 C84 E103 L105 F197	Y42-Y82 CarbonylContact C-O 3.59Å; Y42-Y82 WeakPolarHBondContact CA-O 3.43Å; Y42-Y82 WeakPolarHBondContact CB-O 3.44Å; L43-Y82 PolarHBondContact N-O 3.37Å; L43-Y82 PolarHBondContact O-N 2.82Å; Y45-Y82 HydrophobicContact CE2-CG 4.31Å; H80-Y82 PolarHBondContact O-N 2.77Å; Y82-C84 PolarHBondContact O-N 3.12Å; Y82-E103 HydrophobicContact CE1-CG 4.33Å; Y82-E103 WeakPolarHBondContact CE1-OE1 2.92Å; Y82-L105 WeakPolarHBondContact OH-CD1 3.39Å; Y82-F197 HydrophobicContact CD1-CE2 4.46Å; Y82-F197 HydrophobicContact CD1-CZ 4.47Å; Y82-F197 HydrophobicContact CD2-CE1 4.39Å; Y82-F197 HydrophobicContact CD2-CE2 4.3Å; Y82-F197 AromaticContact CD2-CZ 3.66Å; Y82-F197 HydrophobicContact CD2-CZ 3.66Å; Y82-F197 HydrophobicContact CE1-CE2 4.16Å; Y82-F197 HydrophobicContact CE1-CZ 4.46Å; Y82-F197 AromaticContact CE2-CE2 3.97Å; Y82-F197 HydrophobicContact CE2-CE2 3.97Å; Y82-F197 AromaticContact CE2-CZ 3.63Å; Y82-F197 HydrophobicContact CE2-CZ 3.63Å; Y82-F197 HydrophobicContact CG-CZ 4.09Å; Y82-F197 AromaticContact CZ-CE2 3.9Å
83	A	93.7	Very high	93.4	Very high	35 Å²	35	75.3 Å²	75.3	29%	0.289	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	107.2	178	0	0	0	0	0	111.1	Q40	Q40-A83 HydrophobicContact CG-CB 3.68Å
84	C	94.2	Very high	93.3	Very high	14 Å²	14	73.7 Å²	73.7	10%	0.095	39%	0.386	C	S	.	.			trans	-98	0.1	-167.5	64.2	0	0	0	0	114.4	W41 L43 Y82 I102 E103 S106	W41-C84 PolarHBondContact O-N 2.95Å; W41-C84 VanDerWaalsContact O-N 3.17Å; W41-C84 PolarHBondContact O-SG 2.76Å; L43-C84 HydrophobicContact CD1-CB 3.93Å; L43-C84 HydrophobicContact CG-CB 3.84Å; Y82-C84 PolarHBondContact O-N 3.12Å; C84-I102 WeakPolarHBondContact O-CA 3.29Å; C84-E103 PolarHBondContact O-N 3.18Å; C84-S106 WeakPolarHBondContact CB-OG 3.48Å
85	C	92.6	Very high	93.2	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.1	-178.3	76.9	0	0	0	0	114.1	Q40 Y100 L101	Q40-C85 PolarHBondContact NE2-O 3.07Å; Q40-C85 PolarHBondContact NE2-SG 2.87Å; Q40-C85 PolarHBondContact OE1-O 2.91Å; C85-Y100 HydrophobicContact CB-CD1 4.46Å; C85-Y100 HydrophobicContact CB-CG 4.4Å; C85-Y100 WeakPolarHBondContact SG-CD1 3.35Å; C85-Y100 VanDerWaalsContact SG-CG 3.6Å; C85-L101 CarbonylContact C-O 3.59Å; C85-L101 WeakPolarHBondContact CA-O 3.28Å; C85-L101 VanDerWaalsContact CB-O 3.3Å; C85-L101 WeakPolarHBondContact CB-O 3.45Å
86	R	89.1	Confident	93.1	Very high	111 Å²	111	83.7 Å²	83.7	42%	0.419	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.4	-179.3	-58.2	-65.6	174.2	-134.7	-3.3	109.8	L101 E103	R86-L101 PolarHBondContact N-O 3.5Å; R86-L101 PolarHBondContact O-N 2.84Å; R86-E103 HydrophobicContact CG-CB 3.83Å
87	S	87.8	Confident	93	Very high	104 Å²	104	85.2 Å²	85.2	73%	0.727	43%	0.434	S	S	*	.	S	Bend	trans	-87.3	-14.4	173.6	53	0	0	0	0	113.5
88	F	87.3	Confident	93	Very high	188 Å²	188	83.8 Å²	83.8	83%	0.825	43%	0.433	S	S	*	.	S	Bend	trans	-138.3	141.8	-175.4	-179.6	-101.2	0	0	0	111.4
89	G	89.3	Confident	92.9	Very high	44 Å²	44	83 Å²	83	45%	0.454	44%	0.435	S	S	.	.	S	Bend	trans	132.2	-164.4	176.8	0	0	0	0	0	113.5	L101	G89-L101 WeakPolarHBondContact O-CD2 3.42Å
90	L	90.7	Very high	92.8	Very high	178 Å²	178	84.6 Å²	84.6	93%	0.932	44%	0.441	S	S	*	.	S	Bend	trans	-106	151.9	169.6	-63.5	174.4	0	0	0	108.8
91	G	92.3	Very high	93	Very high	45 Å²	45	80.4 Å²	80.4	46%	0.464	42%	0.422	S	S	.	.	S	Bend	trans	154.2	-171.2	178	0	0	0	0	0	112.1
92	T	95	Very high	93.1	Very high	87 Å²	87	76.6 Å²	76.6	53%	0.534	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-87.2	133.6	174.9	-59.4	0	0	0	0	109.7	I102	T92-I102 HydrophobicContact CG2-CD1 4.43Å; T92-I102 PolarHBondContact O-N 2.69Å
93	R	96.1	Very high	93	Very high	150 Å²	150	74.8 Å²	74.8	57%	0.566	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-71.5	143.2	175.1	-67.8	-177.3	-176	-83.7	-3.8	110.5	P98	R93-P98 HydrophobicContact CB-CB 4.47Å; R93-P98 PolarHBondContact NH1-O 3.31Å
94	L	95.3	Very high	93.1	Very high	11 Å²	11	77.2 Å²	77.2	6%	0.058	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-65.2	126.6	174	-159	70	0	0	0	109.1	W41 W96 D97 P98 Y100 I102	W41-L94 HydrophobicContact CB-CD2 4.42Å; W41-L94 HydrophobicContact CD2-CD2 4.07Å; W41-L94 HydrophobicContact CG-CD2 3.82Å; L94-W96 VanDerWaalsContact C-N 3.34Å; L94-W96 HydrophobicContact CD1-CH2 3.97Å; L94-W96 HydrophobicContact CD1-CZ2 3.71Å; L94-W96 HydrophobicContact CD2-CD2 4.43Å; L94-W96 HydrophobicContact CD2-CZ2 3.77Å; L94-W96 HydrophobicContact CG-CD2 4.2Å; L94-W96 HydrophobicContact CG-CH2 4.32Å; L94-W96 HydrophobicContact CG-CZ2 3.77Å; L94-W96 PolarHBondContact O-N 2.91Å; L94-D97 HydrophobicContact CD2-CB 4.22Å; L94-D97 CarbonylContact O-C 3.56Å; L94-D97 VanDerWaalsContact O-C 3.28Å; L94-D97 PolarHBondContact O-N 3.45Å; L94-P98 WeakPolarHBondContact O-CA 3.47Å; L94-Y100 PolarHBondContact N-O 2.96Å; L94-I102 HydrophobicContact CD1-CD1 4.23Å; L94-I102 HydrophobicContact CD1-CG1 3.99Å
95	P	94.4	Very high	93.1	Very high	103 Å²	103	78.6 Å²	78.6	67%	0.669	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.4	-165.1	21.4	-29.5	0	0	0	114.1
96	W	95.3	Very high	93.3	Very high	165 Å²	165	79.1 Å²	79.1	63%	0.625	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-11.4	175.4	57	84.2	0	0	0	113.9	W41 L94	W41-W96 AromaticContact CE2-NE1 3.67Å; W41-W96 AromaticContact CH2-CD1 3.98Å; W41-W96 AromaticContact CH2-NE1 3.49Å; W41-W96 AromaticContact CZ2-CD1 3.72Å; W41-W96 AromaticContact CZ2-NE1 3.41Å; W41-W96 AromaticContact CZ3-NE1 3.82Å; L94-W96 VanDerWaalsContact C-N 3.34Å; L94-W96 HydrophobicContact CD1-CH2 3.97Å; L94-W96 HydrophobicContact CD1-CZ2 3.71Å; L94-W96 HydrophobicContact CD2-CD2 4.43Å; L94-W96 HydrophobicContact CD2-CZ2 3.77Å; L94-W96 HydrophobicContact CG-CD2 4.2Å; L94-W96 HydrophobicContact CG-CH2 4.32Å; L94-W96 HydrophobicContact CG-CZ2 3.77Å; L94-W96 PolarHBondContact O-N 2.91Å
97	D	94.8	Very high	93.7	Very high	33 Å²	33	77.4 Å²	77.4	18%	0.176	42%	0.423	C	S	.	.			trans	-144.6	75.2	179	-165.8	1.5	0	0	0	111.5	W41 L94 Q99 Y100	W41-D97 PolarHBondContact NE1-OD2 3.33Å; W41-D97 VanDerWaalsContact NE1-OD2 3.08Å; L94-D97 HydrophobicContact CD2-CB 4.22Å; L94-D97 CarbonylContact O-C 3.56Å; L94-D97 VanDerWaalsContact O-C 3.28Å; L94-D97 PolarHBondContact O-N 3.45Å; D97-Q99 VanDerWaalsContact CG-NE2 3.33Å; D97-Q99 PolarHBondContact O-N 3.34Å; D97-Q99 VanDerWaalsContact OD1-CG 3.23Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.42Å; D97-Q99 PolarHBondContact OD1-NE2 3.44Å; D97-Q99 PolarHBondContact OD2-NE2 3.07Å; D97-Y100 HydrophobicContact CB-CD2 4.37Å; D97-Y100 PolarHBondContact O-N 2.67Å; D97-Y100 VanDerWaalsContact O-N 3.1Å; D97-Y100 WeakPolarHBondContact OD2-CD2 3.39Å; D97-Y100 WeakPolarHBondContact OD2-CE2 3.22Å
98	P	94	Very high	94.1	Very high	70 Å²	70	73.6 Å²	73.6	46%	0.455	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-4.4	-166.9	-22.6	34.9	0	0	0	115.7	R93 L94 Y100	R93-P98 HydrophobicContact CB-CB 4.47Å; R93-P98 PolarHBondContact NH1-O 3.31Å; L94-P98 WeakPolarHBondContact O-CA 3.47Å; P98-Y100 PolarHBondContact O-N 3.28Å
99	Q	92.5	Very high	94.7	Very high	121 Å²	121	64.8 Å²	64.8	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.8	172	77.2	-172	-37.9	0	0	111.6	D97	D97-Q99 VanDerWaalsContact CG-NE2 3.33Å; D97-Q99 PolarHBondContact O-N 3.34Å; D97-Q99 VanDerWaalsContact OD1-CG 3.23Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.42Å; D97-Q99 PolarHBondContact OD1-NE2 3.44Å; D97-Q99 PolarHBondContact OD2-NE2 3.07Å
100	Y	93.7	Very high	95.1	Very high	40 Å²	40	65 Å²	65	16%	0.157	35%	0.348	C	S	.	.	S	Bend	trans	-99.8	140.4	178.8	-65	-74.5	0	0	0	111.6	D39 W41 C85 L94 D97 P98	D39-Y100 PolarHBondContact O-OH 2.9Å; W41-Y100 AromaticContact CD1-CD2 3.66Å; W41-Y100 AromaticContact CD1-CE2 3.87Å; W41-Y100 AromaticContact NE1-CD2 3.9Å; W41-Y100 AromaticContact NE1-CE2 3.99Å; C85-Y100 HydrophobicContact CB-CD1 4.46Å; C85-Y100 HydrophobicContact CB-CG 4.4Å; C85-Y100 WeakPolarHBondContact SG-CD1 3.35Å; C85-Y100 VanDerWaalsContact SG-CG 3.6Å; L94-Y100 PolarHBondContact N-O 2.96Å; D97-Y100 HydrophobicContact CB-CD2 4.37Å; D97-Y100 PolarHBondContact O-N 2.67Å; D97-Y100 VanDerWaalsContact O-N 3.1Å; D97-Y100 WeakPolarHBondContact OD2-CD2 3.39Å; D97-Y100 WeakPolarHBondContact OD2-CE2 3.22Å; P98-Y100 PolarHBondContact O-N 3.28Å
101	L	95.7	Very high	95.4	Very high	19 Å²	19	60 Å²	60	10%	0.099	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.5	168.7	-64.2	95.3	0	0	0	109.4	C85 R86 G89	C85-L101 CarbonylContact C-O 3.59Å; C85-L101 WeakPolarHBondContact CA-O 3.28Å; C85-L101 VanDerWaalsContact CB-O 3.3Å; C85-L101 WeakPolarHBondContact CB-O 3.45Å; R86-L101 PolarHBondContact N-O 3.5Å; R86-L101 PolarHBondContact O-N 2.84Å; G89-L101 WeakPolarHBondContact O-CD2 3.42Å
102	I	96.1	Very high	95.7	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.19	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.3	172	-55.6	170.9	0	0	0	108.4	C84 T92 L94 D107	C84-I102 WeakPolarHBondContact O-CA 3.29Å; T92-I102 HydrophobicContact CG2-CD1 4.43Å; T92-I102 PolarHBondContact O-N 2.69Å; L94-I102 HydrophobicContact CD1-CD1 4.23Å; L94-I102 HydrophobicContact CD1-CG1 3.99Å; I102-D107 HydrophobicContact CG2-CB 3.84Å
103	E	94.1	Very high	95.9	Very high	16 Å²	16	54.5 Å²	54.5	8%	0.075	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-83.7	159.2	-179.5	79.2	71.7	-134.6	0	0	112.5	Y82 C84 R86 L105 S106 D107	Y82-E103 HydrophobicContact CE1-CG 4.33Å; Y82-E103 WeakPolarHBondContact CE1-OE1 2.92Å; C84-E103 PolarHBondContact O-N 3.18Å; R86-E103 HydrophobicContact CG-CB 3.83Å; E103-L105 PolarHBondContact O-N 2.95Å; E103-L105 WeakPolarHBondContact OE1-CA 3.42Å; E103-L105 WeakPolarHBondContact OE1-CB 3.48Å; E103-L105 PolarHBondContact OE1-N 2.93Å; E103-L105 PolarHBondContact OE2-N 3.3Å; E103-S106 WeakPolarHBondContact O-CB 3.49Å; E103-S106 PolarHBondContact O-N 3.16Å; E103-S106 WeakPolarHBondContact OE1-CB 3.22Å; E103-S106 PolarHBondContact OE1-N 3.13Å; E103-S106 PolarHBondContact OE1-OG 3.44Å; E103-D107 PolarHBondContact O-N 3.37Å
104	S	94.6	Very high	96	Very high	85 Å²	85	51.3 Å²	51.3	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.5	-168.1	50.9	0	0	0	0	117	S106 D107 S108	S104-S106 VanDerWaalsContact C-N 3.31Å; S104-D107 WeakPolarHBondContact CA-OD1 3.37Å; S104-D107 VanDerWaalsContact O-OD1 3.08Å; S104-S108 VanDerWaalsContact O-CB 3.28Å; S104-S108 WeakPolarHBondContact O-CB 3.38Å; S104-S108 PolarHBondContact O-OG 3.06Å
105	L	95	Very high	96.1	Very high	43 Å²	43	57.9 Å²	57.9	23%	0.225	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.2	177.5	-67.5	168.1	0	0	0	112.2	Y82 E103 T109 N193 H194 F197	Y82-L105 WeakPolarHBondContact OH-CD1 3.39Å; E103-L105 PolarHBondContact O-N 2.95Å; E103-L105 WeakPolarHBondContact OE1-CA 3.42Å; E103-L105 WeakPolarHBondContact OE1-CB 3.48Å; E103-L105 PolarHBondContact OE1-N 2.93Å; E103-L105 PolarHBondContact OE2-N 3.3Å; L105-T109 WeakPolarHBondContact O-CG2 3.49Å; L105-N193 HydrophobicContact CD1-CB 4.33Å; L105-H194 HydrophobicContact CD2-CB 4.05Å; L105-F197 HydrophobicContact CB-CD2 4.07Å; L105-F197 HydrophobicContact CB-CE2 3.88Å; L105-F197 HydrophobicContact CD1-CE2 4.4Å; L105-F197 WeakPolarHBondContact O-CD2 3.3Å
106	S	96.8	Very high	96.3	Very high	12 Å²	12	53.4 Å²	53.4	8%	0.084	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-36.5	-176.4	-59.7	0	0	0	0	111.8	C84 E103 S104 S108 T109	C84-S106 WeakPolarHBondContact CB-OG 3.48Å; E103-S106 WeakPolarHBondContact O-CB 3.49Å; E103-S106 PolarHBondContact O-N 3.16Å; E103-S106 WeakPolarHBondContact OE1-CB 3.22Å; E103-S106 PolarHBondContact OE1-N 3.13Å; E103-S106 PolarHBondContact OE1-OG 3.44Å; S104-S106 VanDerWaalsContact C-N 3.31Å; S106-S108 VanDerWaalsContact C-N 3.3Å; S106-T109 PolarHBondContact O-OG1 2.99Å
107	D	96.6	Very high	96.4	Very high	75 Å²	75	45.6 Å²	45.6	40%	0.401	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.1	175.4	72.3	-16.4	0	0	0	114	I102 E103 S104	I102-D107 HydrophobicContact CG2-CB 3.84Å; E103-D107 PolarHBondContact O-N 3.37Å; S104-D107 WeakPolarHBondContact CA-OD1 3.37Å; S104-D107 VanDerWaalsContact O-OD1 3.08Å
108	S	97.5	Very high	96.5	Very high	23 Å²	23	44.9 Å²	44.9	16%	0.161	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	19.3	-175.9	60.8	0	0	0	0	114.2	S104 S106 Y111 H194	S104-S108 VanDerWaalsContact O-CB 3.28Å; S104-S108 WeakPolarHBondContact O-CB 3.38Å; S104-S108 PolarHBondContact O-OG 3.06Å; S106-S108 VanDerWaalsContact C-N 3.3Å; S108-Y111 WeakPolarHBondContact O-CD1 3.42Å; S108-Y111 WeakPolarHBondContact O-CE1 3.46Å; S108-H194 PolarHBondContact O-CE1 3.19Å; S108-H194 PolarHBondContact OG-CE1 3.34Å; S108-H194 PolarHBondContact OG-ND1 3.37Å
109	T	98.1	Very high	96.6	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	23%	0.226	C	C	.	.	S	Bend	trans	-94.6	-27	-169.9	57	0	0	0	0	115	L105 S106 F197 F198 H202	L105-T109 WeakPolarHBondContact O-CG2 3.49Å; S106-T109 PolarHBondContact O-OG1 2.99Å; T109-F197 HydrophobicContact CG2-CB 3.66Å; T109-F198 VanDerWaalsContact O-CD2 3.32Å; T109-F198 WeakPolarHBondContact O-CD2 3.46Å; T109-H202 PolarHBondContact O-CE1 3.15Å
110	I	98.3	Very high	96.8	Very high	49 Å²	49	40.5 Å²	40.5	25%	0.251	20%	0.201	S	C	.	.	S	Bend	trans	-132.2	11.5	-177.3	63	174.5	0	0	0	113.9	M112 A113 N201 I205 W206	I110-M112 PolarHBondContact O-N 2.75Å; I110-A113 WeakPolarHBondContact O-CB 3.35Å; I110-A113 PolarHBondContact O-N 2.79Å; I110-N201 HydrophobicContact CG2-CB 3.74Å; I110-I205 HydrophobicContact CD1-CD1 4.36Å; I110-I205 HydrophobicContact CD1-CG1 4.02Å; I110-W206 HydrophobicContact CG2-CZ3 4.31Å
111	Y	98.2	Very high	97	Very high	71 Å²	71	39.4 Å²	39.4	28%	0.278	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-13.1	-176.4	73.8	-88.9	0	0	0	114	S108 A113 Y114 Y115 R184	S108-Y111 WeakPolarHBondContact O-CD1 3.42Å; S108-Y111 WeakPolarHBondContact O-CE1 3.46Å; Y111-A113 PolarHBondContact O-N 2.99Å; Y111-Y114 WeakPolarHBondContact O-CA 3.41Å; Y111-Y114 VanDerWaalsContact O-CB 3.22Å; Y111-Y114 WeakPolarHBondContact O-CB 3.22Å; Y111-Y114 PolarHBondContact O-N 2.9Å; Y111-Y115 HydrophobicContact CD2-CD2 4.45Å; Y111-Y115 HydrophobicContact CD2-CE1 4.46Å; Y111-Y115 AromaticContact CD2-CE2 3.85Å; Y111-Y115 HydrophobicContact CD2-CE2 3.85Å; Y111-Y115 AromaticContact CD2-CZ 3.88Å; Y111-Y115 HydrophobicContact CE2-CD2 4.46Å; Y111-Y115 HydrophobicContact CE2-CE1 4.48Å; Y111-Y115 AromaticContact CE2-CE2 3.5Å; Y111-Y115 HydrophobicContact CE2-CE2 3.5Å; Y111-Y115 VanDerWaalsContact CE2-CE2 3.5Å; Y111-Y115 AromaticContact CE2-CZ 3.53Å; Y111-Y115 WeakPolarHBondContact CE2-OH 3.16Å; Y111-Y115 PolarHBondContact O-N 2.98Å; Y111-R184 VanDerWaalsContact OH-CZ 3.27Å; Y111-R184 PolarHBondContact OH-NH1 2.73Å; Y111-R184 PolarHBondContact OH-NH2 2.86Å
112	M	98.5	Very high	96.9	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-32.9	173.6	-52	76.9	-172.2	0	0	111.2	I110 Y114 Y115 Y179 V181 R184 F198	I110-M112 PolarHBondContact O-N 2.75Å; M112-Y114 PolarHBondContact O-N 2.78Å; M112-Y115 HydrophobicContact CB-CD2 4.42Å; M112-Y115 WeakPolarHBondContact O-CB 3.47Å; M112-Y115 PolarHBondContact O-N 3.11Å; M112-Y179 HydrophobicContact CB-CE2 4.18Å; M112-V181 HydrophobicContact CB-CG2 3.69Å; M112-V181 HydrophobicContact CG-CG2 4.09Å; M112-R184 VanDerWaalsContact CE-NH1 3.32Å; M112-F198 HydrophobicContact CE-CD2 4.01Å; M112-F198 HydrophobicContact CE-CE2 4.12Å; M112-F198 HydrophobicContact SD-CD2 4Å; M112-F198 HydrophobicContact SD-CE2 3.84Å
113	A	98.4	Very high	96.7	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-36.8	171.6	0	0	0	0	0	111	I110 Y111 Y115 T116 L150 F175 Y179 W206	I110-A113 WeakPolarHBondContact O-CB 3.35Å; I110-A113 PolarHBondContact O-N 2.79Å; Y111-A113 PolarHBondContact O-N 2.99Å; A113-Y115 VanDerWaalsContact C-N 3.32Å; A113-Y115 PolarHBondContact O-N 3.42Å; A113-T116 WeakPolarHBondContact O-CB 3.2Å; A113-T116 PolarHBondContact O-N 2.8Å; A113-T116 PolarHBondContact O-OG1 2.89Å; A113-L150 HydrophobicContact CB-CD2 4.22Å; A113-F175 HydrophobicContact CB-CD2 4.21Å; A113-F175 HydrophobicContact CB-CE2 3.88Å; A113-Y179 HydrophobicContact CB-CE2 4.04Å; A113-Y179 PolarHBondContact N-OH 2.99Å; A113-W206 HydrophobicContact CB-CH2 4.08Å; A113-W206 HydrophobicContact CB-CZ2 4.4Å
114	Y	97.7	Very high	96.6	Very high	83 Å²	83	43.7 Å²	43.7	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-32.6	176.7	-170.6	-99.1	0	0	0	112.8	Y111 M112 T116 V117 A118 L121 Q122 W146	Y111-Y114 WeakPolarHBondContact O-CA 3.41Å; Y111-Y114 VanDerWaalsContact O-CB 3.22Å; Y111-Y114 WeakPolarHBondContact O-CB 3.22Å; Y111-Y114 PolarHBondContact O-N 2.9Å; M112-Y114 PolarHBondContact O-N 2.78Å; Y114-T116 PolarHBondContact O-N 2.85Å; Y114-V117 HydrophobicContact CD2-CG2 4.16Å; Y114-V117 HydrophobicContact CE2-CG2 4.49Å; Y114-V117 VanDerWaalsContact O-CG2 3.3Å; Y114-V117 WeakPolarHBondContact O-CG2 3.36Å; Y114-V117 PolarHBondContact O-N 3.29Å; Y114-V117 VanDerWaalsContact O-N 3.1Å; Y114-A118 HydrophobicContact CD1-CB 3.96Å; Y114-A118 HydrophobicContact CE1-CB 3.68Å; Y114-A118 WeakPolarHBondContact O-CB 3.29Å; Y114-A118 PolarHBondContact O-N 2.69Å; Y114-L121 HydrophobicContact CE2-CD1 3.98Å; Y114-Q122 VanDerWaalsContact CE1-NE2 3.34Å; Y114-Q122 PolarHBondContact OH-NE2 3.38Å; Y114-W146 HydrophobicContact CD2-CH2 4.06Å; Y114-W146 AromaticContact CE2-CH2 3.95Å; Y114-W146 HydrophobicContact CE2-CH2 3.95Å
115	Y	97.7	Very high	96.5	Very high	149 Å²	149	41.7 Å²	41.7	58%	0.584	23%	0.229	S	C	*	.	H	α-helix	trans	-55.3	-36.8	175.6	-73.3	-41.5	0	0	0	112.9	Y111 M112 A113 V117	Y111-Y115 HydrophobicContact CD2-CD2 4.45Å; Y111-Y115 HydrophobicContact CD2-CE1 4.46Å; Y111-Y115 AromaticContact CD2-CE2 3.85Å; Y111-Y115 HydrophobicContact CD2-CE2 3.85Å; Y111-Y115 AromaticContact CD2-CZ 3.88Å; Y111-Y115 HydrophobicContact CE2-CD2 4.46Å; Y111-Y115 HydrophobicContact CE2-CE1 4.48Å; Y111-Y115 AromaticContact CE2-CE2 3.5Å; Y111-Y115 HydrophobicContact CE2-CE2 3.5Å; Y111-Y115 VanDerWaalsContact CE2-CE2 3.5Å; Y111-Y115 AromaticContact CE2-CZ 3.53Å; Y111-Y115 WeakPolarHBondContact CE2-OH 3.16Å; Y111-Y115 PolarHBondContact O-N 2.98Å; M112-Y115 HydrophobicContact CB-CD2 4.42Å; M112-Y115 WeakPolarHBondContact O-CB 3.47Å; M112-Y115 PolarHBondContact O-N 3.11Å; A113-Y115 VanDerWaalsContact C-N 3.32Å; A113-Y115 PolarHBondContact O-N 3.42Å; Y115-V117 PolarHBondContact O-N 3.25Å
116	T	98.3	Very high	96.2	Very high	10 Å²	10	46.3 Å²	46.3	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-29.6	-178.4	71.8	0	0	0	0	112.4	A113 Y114 H119 E174 F175 W178 Y179	A113-T116 WeakPolarHBondContact O-CB 3.2Å; A113-T116 PolarHBondContact O-N 2.8Å; A113-T116 PolarHBondContact O-OG1 2.89Å; Y114-T116 PolarHBondContact O-N 2.85Å; T116-H119 PolarHBondContact O-CE1 3.06Å; T116-H119 PolarHBondContact O-ND1 2.86Å; T116-E174 WeakPolarHBondContact O-CB 3.29Å; T116-F175 HydrophobicContact CG2-CD2 4.42Å; T116-W178 HydrophobicContact CG2-CB 3.79Å; T116-Y179 HydrophobicContact CG2-CD2 4.16Å
117	V	97.6	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-111.9	-14.8	-174.6	-68.6	0	0	0	0	114.1	Y114 Y115 H119 L120 L121 W146 I149 L171	Y114-V117 HydrophobicContact CD2-CG2 4.16Å; Y114-V117 HydrophobicContact CE2-CG2 4.49Å; Y114-V117 VanDerWaalsContact O-CG2 3.3Å; Y114-V117 WeakPolarHBondContact O-CG2 3.36Å; Y114-V117 PolarHBondContact O-N 3.29Å; Y114-V117 VanDerWaalsContact O-N 3.1Å; Y115-V117 PolarHBondContact O-N 3.25Å; V117-H119 PolarHBondContact O-N 2.7Å; V117-H119 VanDerWaalsContact O-N 3.17Å; V117-L120 PolarHBondContact O-N 3.13Å; V117-L121 HydrophobicContact CB-CD1 4.16Å; V117-L121 HydrophobicContact CG2-CD1 3.9Å; V117-L121 PolarHBondContact O-N 3.34Å; V117-W146 HydrophobicContact CG2-CH2 4.47Å; V117-W146 HydrophobicContact CG2-CZ3 4.2Å; V117-I149 HydrophobicContact CG1-CG2 4.41Å; V117-L171 HydrophobicContact CB-CD2 3.79Å; V117-L171 HydrophobicContact CG1-CB 3.91Å; V117-L171 HydrophobicContact CG1-CD2 3.79Å; V117-L171 HydrophobicContact CG1-CG 4.45Å
118	A	96.6	Very high	95.5	Very high	19 Å²	19	48 Å²	48	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-55.3	-38.3	-174.8	0	0	0	0	0	113.1	Y114 L120 L121 Q122 G123	Y114-A118 HydrophobicContact CD1-CB 3.96Å; Y114-A118 HydrophobicContact CE1-CB 3.68Å; Y114-A118 WeakPolarHBondContact O-CB 3.29Å; Y114-A118 PolarHBondContact O-N 2.69Å; A118-L120 PolarHBondContact O-N 2.98Å; A118-L121 PolarHBondContact O-N 3.3Å; A118-Q122 WeakPolarHBondContact O-CB 3.29Å; A118-Q122 PolarHBondContact O-N 2.96Å; A118-G123 PolarHBondContact O-N 3.28Å
119	H	96.3	Very high	95.1	Very high	88 Å²	88	56.6 Å²	56.6	41%	0.407	31%	0.305	S	S	.	.	H	α-helix	trans	-67	-24	179.6	71.9	-79	0	0	0	113.4	T116 V117 G123 P133 E174	T116-H119 PolarHBondContact O-CE1 3.06Å; T116-H119 PolarHBondContact O-ND1 2.86Å; V117-H119 PolarHBondContact O-N 2.7Å; V117-H119 VanDerWaalsContact O-N 3.17Å; H119-G123 WeakPolarHBondContact O-CA 3.24Å; H119-G123 PolarHBondContact O-N 3.06Å; H119-P133 WeakPolarHBondContact O-CD 3.28Å; H119-E174 IonicContact CE1-OE2 2.73Å; H119-E174 IonicContact NE2-OE1 2.89Å
120	L	97.3	Very high	94.6	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	33%	0.332	C	S	.	.	H	α-helix	trans	-91.1	-31.4	176.9	-64.3	177.5	0	0	0	112.7	V117 A118 P133 L134 K170 L171 E174	V117-L120 PolarHBondContact O-N 3.13Å; A118-L120 PolarHBondContact O-N 2.98Å; L120-P133 WeakPolarHBondContact O-CD 3.38Å; L120-L134 HydrophobicContact CB-CD1 3.79Å; L120-L134 HydrophobicContact CB-CG 3.99Å; L120-L134 HydrophobicContact CD1-CD1 4.19Å; L120-L134 HydrophobicContact CD2-CG 4.41Å; L120-L134 HydrophobicContact CG-CD1 4.4Å; L120-L134 PolarHBondContact O-N 2.86Å; L120-K170 HydrophobicContact CD1-CD 4.29Å; L120-K170 HydrophobicContact CD1-CG 4.07Å; L120-L171 HydrophobicContact CB-CD2 3.7Å; L120-L171 HydrophobicContact CD1-CD2 3.85Å; L120-L171 HydrophobicContact CG-CD2 4.4Å; L120-E174 HydrophobicContact CD1-CG 3.74Å
121	L	96.5	Very high	94.1	Very high	18 Å²	18	62.4 Å²	62.4	9%	0.094	34%	0.339	C	S	.	.	H	α-helix	trans	-85.3	-40.2	-179.6	-65.9	177	0	0	0	113.3	Y114 V117 A118 G132 I136 M141 W146 L171	Y114-L121 HydrophobicContact CE2-CD1 3.98Å; V117-L121 HydrophobicContact CB-CD1 4.16Å; V117-L121 HydrophobicContact CG2-CD1 3.9Å; V117-L121 PolarHBondContact O-N 3.34Å; A118-L121 PolarHBondContact O-N 3.3Å; L121-G132 VanDerWaalsContact O-CA 3.25Å; L121-G132 WeakPolarHBondContact O-CA 3.38Å; L121-G132 PolarHBondContact O-N 3.03Å; L121-I136 HydrophobicContact CD2-CB 4.18Å; L121-I136 HydrophobicContact CD2-CD1 4.07Å; L121-I136 HydrophobicContact CD2-CG2 4.36Å; L121-M141 HydrophobicContact CD1-CE 4.26Å; L121-M141 HydrophobicContact CD2-CE 4.41Å; L121-M141 HydrophobicContact CD2-SD 4.31Å; L121-W146 HydrophobicContact CD1-CH2 3.7Å; L121-W146 HydrophobicContact CD1-CZ3 4.45Å; L121-L171 HydrophobicContact CD2-CD1 4.04Å; L121-L171 HydrophobicContact CD2-CD2 4.12Å; L121-L171 HydrophobicContact CG-CD2 4.11Å
122	Q	94.5	Very high	93.9	Very high	50 Å²	50	59.3 Å²	59.3	23%	0.234	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-22	-175.5	-55.9	-178.2	9.7	0	0	113.7	Y114 A118 G124 N125	Y114-Q122 VanDerWaalsContact CE1-NE2 3.34Å; Y114-Q122 PolarHBondContact OH-NE2 3.38Å; A118-Q122 WeakPolarHBondContact O-CB 3.29Å; A118-Q122 PolarHBondContact O-N 2.96Å; Q122-G124 PolarHBondContact O-N 3.03Å; Q122-G124 VanDerWaalsContact O-N 3.17Å; Q122-N125 WeakPolarHBondContact O-CB 3.18Å; Q122-N125 PolarHBondContact O-N 3.36Å; Q122-N125 PolarHBondContact OE1-O 2.84Å; Q122-N125 VanDerWaalsContact OE1-O 3.04Å
123	G	92.1	Very high	93.8	Very high	47 Å²	47	62.5 Å²	62.5	49%	0.485	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	22.4	179.2	0	0	0	0	0	115.5	A118 H119	A118-G123 PolarHBondContact O-N 3.28Å; H119-G123 WeakPolarHBondContact O-CA 3.24Å; H119-G123 PolarHBondContact O-N 3.06Å
124	G	91.5	Very high	93.7	Very high	65 Å²	65	62.6 Å²	62.6	67%	0.67	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-0.7	-175.9	0	0	0	0	0	114.7	Q122 V126	Q122-G124 PolarHBondContact O-N 3.03Å; Q122-G124 VanDerWaalsContact O-N 3.17Å; G124-V126 PolarHBondContact O-N 3.3Å; G124-V126 VanDerWaalsContact O-N 3.15Å
125	N	92.1	Very high	93.5	Very high	42 Å²	42	65.4 Å²	65.4	23%	0.225	37%	0.365	C	S	.	.			trans	-74.6	103.5	168.2	-175.3	-12.8	0	0	0	110.3	Q122 D127 G128 I130	Q122-N125 WeakPolarHBondContact O-CB 3.18Å; Q122-N125 PolarHBondContact O-N 3.36Å; Q122-N125 PolarHBondContact OE1-O 2.84Å; Q122-N125 VanDerWaalsContact OE1-O 3.04Å; N125-D127 PolarHBondContact ND2-OD1 3.08Å; N125-D127 PolarHBondContact O-N 2.74Å; N125-D127 PolarHBondContact OD1-N 3.15Å; N125-D127 VanDerWaalsContact OD1-N 3.11Å; N125-D127 PolarHBondContact OD1-OD1 3Å; N125-G128 PolarHBondContact O-N 2.94Å; N125-I130 PolarHBondContact ND2-N 2.93Å
126	V	90.1	Very high	93.4	Very high	141 Å²	141	58.7 Å²	58.7	86%	0.855	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33	-175.9	-178.6	0	0	0	0	113.6	G124	G124-V126 PolarHBondContact O-N 3.3Å; G124-V126 VanDerWaalsContact O-N 3.15Å
127	D	90.7	Very high	93.1	Very high	84 Å²	84	63.4 Å²	63.4	45%	0.449	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.9	179.6	74.1	12.9	0	0	0	113.7	N125 R129	N125-D127 PolarHBondContact ND2-OD1 3.08Å; N125-D127 PolarHBondContact O-N 2.74Å; N125-D127 PolarHBondContact OD1-N 3.15Å; N125-D127 VanDerWaalsContact OD1-N 3.11Å; N125-D127 PolarHBondContact OD1-OD1 3Å; D127-R129 HydrophobicContact CB-CG 4.4Å; D127-R129 VanDerWaalsContact CG-CG 3.5Å; D127-R129 PolarHBondContact O-N 2.8Å; D127-R129 VanDerWaalsContact O-N 3.11Å; D127-R129 WeakPolarHBondContact OD1-CB 3.36Å; D127-R129 WeakPolarHBondContact OD1-CG 3.44Å; D127-R129 PolarHBondContact OD1-N 3.22Å; D127-R129 WeakPolarHBondContact OD2-CD 3.38Å; D127-R129 IonicContact OD2-CZ 3.72Å; D127-R129 VanDerWaalsContact OD2-CZ 3.31Å; D127-R129 IonicContact OD2-NE 2.74Å; D127-R129 PolarHBondContact OD2-NE 3.44Å; D127-R129 VanDerWaalsContact OD2-NE 3.13Å; D127-R129 IonicContact OD2-NH1 2.66Å; D127-R129 PolarHBondContact OD2-NH1 3.12Å
128	G	87.4	Confident	92.9	Very high	37 Å²	37	68 Å²	68	38%	0.381	40%	0.397	S	S	.	.			trans	63.7	11	177.6	0	0	0	0	0	115.1	N125 I130	N125-G128 PolarHBondContact O-N 2.94Å; G128-I130 VanDerWaalsContact C-N 3.28Å; G128-I130 PolarHBondContact O-N 3.1Å
129	R	88.4	Confident	92.7	Very high	205 Å²	205	73 Å²	73	77%	0.774	42%	0.417	S	S	*	.			trans	-68.1	-27.3	-175.9	-71.7	177.4	-173.8	166.8	-0.5	113.7	D127	D127-R129 HydrophobicContact CB-CG 4.4Å; D127-R129 VanDerWaalsContact CG-CG 3.5Å; D127-R129 PolarHBondContact O-N 2.8Å; D127-R129 VanDerWaalsContact O-N 3.11Å; D127-R129 WeakPolarHBondContact OD1-CB 3.36Å; D127-R129 WeakPolarHBondContact OD1-CG 3.44Å; D127-R129 PolarHBondContact OD1-N 3.22Å; D127-R129 WeakPolarHBondContact OD2-CD 3.38Å; D127-R129 IonicContact OD2-CZ 3.72Å; D127-R129 VanDerWaalsContact OD2-CZ 3.31Å; D127-R129 IonicContact OD2-NE 2.74Å; D127-R129 PolarHBondContact OD2-NE 3.44Å; D127-R129 VanDerWaalsContact OD2-NE 3.13Å; D127-R129 IonicContact OD2-NH1 2.66Å; D127-R129 PolarHBondContact OD2-NH1 3.12Å
130	I	88.6	Confident	92.5	Very high	114 Å²	114	70.1 Å²	70.1	59%	0.585	41%	0.405	S	S	*	.	S	Bend	trans	-103.8	123.8	178.9	-57.3	172.7	0	0	0	107.4	N125 G128 G132	N125-I130 PolarHBondContact ND2-N 2.93Å; G128-I130 VanDerWaalsContact C-N 3.28Å; G128-I130 PolarHBondContact O-N 3.1Å; I130-G132 PolarHBondContact O-N 2.72Å
131	P	88.2	Confident	92.4	Very high	61 Å²	61	70.7 Å²	70.7	40%	0.396	41%	0.408	S	S	.	.			trans	-54.7	133.7	173.3	-25.3	34.1	0	0	0	110.9
132	G	93.3	Very high	92.3	Very high	6 Å²	6	74.8 Å²	74.8	6%	0.062	43%	0.427	C	S	.	.			trans	-71.1	-168.2	179.9	0	0	0	0	0	113.6	L121 I130 L134 H135	L121-G132 VanDerWaalsContact O-CA 3.25Å; L121-G132 WeakPolarHBondContact O-CA 3.38Å; L121-G132 PolarHBondContact O-N 3.03Å; I130-G132 PolarHBondContact O-N 2.72Å; G132-L134 PolarHBondContact O-N 2.93Å; G132-H135 PolarHBondContact O-N 2.89Å
133	P	95.6	Very high	92.3	Very high	79 Å²	79	76.3 Å²	76.3	51%	0.513	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.9	-172.7	-28.5	34.8	0	0	0	115.7	H119 L120 H135	H119-P133 WeakPolarHBondContact O-CD 3.28Å; L120-P133 WeakPolarHBondContact O-CD 3.38Å; P133-H135 VanDerWaalsContact C-N 3.34Å
134	L	96.5	Very high	92.4	Very high	6 Å²	6	78.8 Å²	78.8	3%	0.031	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.2	178.1	-62.7	-172.4	0	0	0	114	L120 G132 I136 W166 K167 K170 L171	L120-L134 HydrophobicContact CB-CD1 3.79Å; L120-L134 HydrophobicContact CB-CG 3.99Å; L120-L134 HydrophobicContact CD1-CD1 4.19Å; L120-L134 HydrophobicContact CD2-CG 4.41Å; L120-L134 HydrophobicContact CG-CD1 4.4Å; L120-L134 PolarHBondContact O-N 2.86Å; G132-L134 PolarHBondContact O-N 2.93Å; L134-I136 HydrophobicContact CB-CD1 3.9Å; L134-I136 HydrophobicContact CB-CG1 3.97Å; L134-I136 HydrophobicContact CD1-CD1 4.11Å; L134-I136 PolarHBondContact O-N 2.67Å; L134-W166 HydrophobicContact CD2-CH2 4.12Å; L134-W166 HydrophobicContact CD2-CZ3 4.05Å; L134-K167 HydrophobicContact CB-CD 4.45Å; L134-K167 HydrophobicContact CD1-CB 4.23Å; L134-K167 HydrophobicContact CD2-CG 4.45Å; L134-K167 WeakPolarHBondContact O-CD 3.08Å; L134-K167 WeakPolarHBondContact O-CE 3.38Å; L134-K167 PolarHBondContact O-NZ 3.27Å; L134-K170 HydrophobicContact CD2-CD 4.32Å; L134-L171 HydrophobicContact CD1-CD2 3.9Å; L134-L171 HydrophobicContact CD1-CG 3.97Å
135	H	95.1	Very high	92.7	Very high	142 Å²	142	75.7 Å²	75.7	66%	0.657	41%	0.408	S	S	*	.			trans	52.4	36	-177.5	-57.2	-67.8	0	0	0	113.4	G132 P133	G132-H135 PolarHBondContact O-N 2.89Å; P133-H135 VanDerWaalsContact C-N 3.34Å
136	I	95	Very high	92.9	Very high	8 Å²	8	77 Å²	77	4%	0.041	41%	0.41	C	S	.	.			trans	-89.2	129.7	172.2	-59.6	169.8	0	0	0	107.3	L121 L134 D140 M141 V163 K167 L171	L121-I136 HydrophobicContact CD2-CB 4.18Å; L121-I136 HydrophobicContact CD2-CD1 4.07Å; L121-I136 HydrophobicContact CD2-CG2 4.36Å; L134-I136 HydrophobicContact CB-CD1 3.9Å; L134-I136 HydrophobicContact CB-CG1 3.97Å; L134-I136 HydrophobicContact CD1-CD1 4.11Å; L134-I136 PolarHBondContact O-N 2.67Å; I136-D140 HydrophobicContact CG2-CB 3.91Å; I136-M141 HydrophobicContact CG2-CG 3.98Å; I136-M141 HydrophobicContact CG2-SD 3.72Å; I136-V163 HydrophobicContact CD1-CG1 3.94Å; I136-V163 HydrophobicContact CG1-CG1 3.94Å; I136-V163 HydrophobicContact CG2-CG2 4.15Å; I136-K167 HydrophobicContact CD1-CB 4.14Å; I136-K167 HydrophobicContact CG1-CD 4.32Å; I136-L171 HydrophobicContact CD1-CD1 3.72Å
137	K	92.3	Very high	93.2	Very high	109 Å²	109	72.8 Å²	72.8	47%	0.474	38%	0.382	S	S	.	.			trans	-86.6	159.9	177.7	-56.1	173.3	179.4	173	0	110.5	E139 D140	K137-E139 HydrophobicContact CB-CG 3.82Å; K137-E139 HydrophobicContact CD-CG 4Å; K137-E139 WeakPolarHBondContact CD-OE1 3.42Å; K137-E139 IonicContact NZ-OE1 2.62Å; K137-E139 PolarHBondContact NZ-OE1 2.8Å; K137-E139 PolarHBondContact O-N 2.86Å; K137-D140 VanDerWaalsContact CB-OD2 3.31Å; K137-D140 WeakPolarHBondContact CB-OD2 3.42Å; K137-D140 PolarHBondContact N-OD2 3.31Å; K137-D140 WeakPolarHBondContact O-CB 3.45Å; K137-D140 PolarHBondContact O-N 2.97Å
138	A	92.2	Very high	93.5	Very high	97 Å²	97	69.5 Å²	69.5	80%	0.802	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-57.6	-37.6	175.5	0	0	0	0	0	112.6	D140 M141	A138-D140 PolarHBondContact O-N 3.12Å; A138-M141 PolarHBondContact O-N 2.99Å
139	E	92.2	Very high	94	Very high	123 Å²	123	67.8 Å²	67.8	58%	0.575	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-65.8	-21.3	177.4	61	-173.6	-174.8	0	0	113.9	K137 M141 Q142	K137-E139 HydrophobicContact CB-CG 3.82Å; K137-E139 HydrophobicContact CD-CG 4Å; K137-E139 WeakPolarHBondContact CD-OE1 3.42Å; K137-E139 IonicContact NZ-OE1 2.62Å; K137-E139 PolarHBondContact NZ-OE1 2.8Å; K137-E139 PolarHBondContact O-N 2.86Å; E139-M141 VanDerWaalsContact C-N 3.33Å; E139-Q142 PolarHBondContact O-NE2 3.23Å
140	D	93.6	Very high	94.4	Very high	29 Å²	29	59.5 Å²	59.5	16%	0.155	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-80	-18.4	179.1	-59.6	-44.5	0	0	0	112.2	I136 K137 A138 Q142 S162 V163	I136-D140 HydrophobicContact CG2-CB 3.91Å; K137-D140 VanDerWaalsContact CB-OD2 3.31Å; K137-D140 WeakPolarHBondContact CB-OD2 3.42Å; K137-D140 PolarHBondContact N-OD2 3.31Å; K137-D140 WeakPolarHBondContact O-CB 3.45Å; K137-D140 PolarHBondContact O-N 2.97Å; A138-D140 PolarHBondContact O-N 3.12Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 3.16Å; D140-S162 PolarHBondContact OD1-OG 2.8Å; D140-V163 HydrophobicContact CB-CG2 3.61Å
141	M	95	Very high	94.7	Very high	22 Å²	22	59.1 Å²	59.1	11%	0.108	31%	0.308	C	S	.	.			trans	-88.4	64.1	-174	-64.2	-61.1	-70.8	0	0	112.1	L121 I136 A138 E139 V145 W146 I149	L121-M141 HydrophobicContact CD1-CE 4.26Å; L121-M141 HydrophobicContact CD2-CE 4.41Å; L121-M141 HydrophobicContact CD2-SD 4.31Å; I136-M141 HydrophobicContact CG2-CG 3.98Å; I136-M141 HydrophobicContact CG2-SD 3.72Å; A138-M141 PolarHBondContact O-N 2.99Å; E139-M141 VanDerWaalsContact C-N 3.33Å; M141-V145 HydrophobicContact CE-CG1 4.18Å; M141-V145 HydrophobicContact SD-CG1 3.9Å; M141-W146 HydrophobicContact CB-CZ2 3.94Å; M141-W146 HydrophobicContact CE-CD2 3.77Å; M141-W146 HydrophobicContact CE-CE3 3.72Å; M141-W146 HydrophobicContact CE-CH2 3.26Å; M141-W146 HydrophobicContact CE-CZ2 3.28Å; M141-W146 HydrophobicContact CE-CZ3 3.47Å; M141-W146 VanDerWaalsContact CE-CZ3 3.47Å; M141-W146 HydrophobicContact CG-CZ2 4.19Å; M141-W146 PolarHBondContact O-NE1 2.79Å; M141-W146 VanDerWaalsContact O-NE1 3.12Å; M141-I149 HydrophobicContact CE-CD1 3.68Å
142	Q	93.9	Very high	94.9	Very high	104 Å²	104	57.3 Å²	57.3	49%	0.486	30%	0.3	S	S	.	.			trans	-69.7	160.5	176.7	-61.1	-59	-39.2	0	0	112.1	E139 D140 Q144 V145 W146	E139-Q142 PolarHBondContact O-NE2 3.23Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 3.16Å; Q142-Q144 VanDerWaalsContact C-N 3.29Å; Q142-Q144 PolarHBondContact O-N 2.84Å; Q142-V145 HydrophobicContact CB-CG2 4.41Å; Q142-V145 WeakPolarHBondContact O-CA 3.37Å; Q142-V145 WeakPolarHBondContact O-CB 3.18Å; Q142-V145 PolarHBondContact O-N 3.48Å; Q142-W146 PolarHBondContact O-N 3.13Å
143	P	94.2	Very high	94.8	Very high	82 Å²	82	61 Å²	61	53%	0.532	32%	0.319	S	S	.	.	H	α-helix	trans	-51.6	-42.4	-178	-29.6	36.7	0	0	0	114.4	V145 W146 D147	P143-V145 VanDerWaalsContact C-N 3.28Å; P143-V145 PolarHBondContact O-N 2.81Å; P143-W146 WeakPolarHBondContact O-CB 3.4Å; P143-W146 PolarHBondContact O-N 3.14Å; P143-W146 VanDerWaalsContact O-N 3.13Å; P143-D147 PolarHBondContact O-N 3.32Å
144	Q	94.9	Very high	94.7	Very high	98 Å²	98	58.2 Å²	58.2	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-31.1	179.1	-60.5	82.7	-3.4	0	0	112.4	Q142 W146 D147 Y148 L159	Q142-Q144 VanDerWaalsContact C-N 3.29Å; Q142-Q144 PolarHBondContact O-N 2.84Å; Q144-W146 VanDerWaalsContact C-N 3.35Å; Q144-D147 PolarHBondContact O-N 2.88Å; Q144-Y148 PolarHBondContact O-N 3.49Å; Q144-L159 HydrophobicContact CB-CD2 3.71Å; Q144-L159 WeakPolarHBondContact O-CD2 3.17Å
145	V	97.1	Very high	94.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-67.4	-39.6	174.6	177.4	0	0	0	0	110	M141 Q142 P143 Y148 I149 T161 L168	M141-V145 HydrophobicContact CE-CG1 4.18Å; M141-V145 HydrophobicContact SD-CG1 3.9Å; Q142-V145 HydrophobicContact CB-CG2 4.41Å; Q142-V145 WeakPolarHBondContact O-CA 3.37Å; Q142-V145 WeakPolarHBondContact O-CB 3.18Å; Q142-V145 PolarHBondContact O-N 3.48Å; P143-V145 VanDerWaalsContact C-N 3.28Å; P143-V145 PolarHBondContact O-N 2.81Å; V145-Y148 WeakPolarHBondContact O-CB 3.25Å; V145-Y148 PolarHBondContact O-N 3.26Å; V145-I149 HydrophobicContact CG1-CD1 4.01Å; V145-I149 WeakPolarHBondContact O-CD1 3.38Å; V145-I149 VanDerWaalsContact O-CG1 3.27Å; V145-I149 WeakPolarHBondContact O-CG1 3.34Å; V145-I149 PolarHBondContact O-N 2.92Å; V145-T161 HydrophobicContact CG2-CG2 4.4Å; V145-L168 HydrophobicContact CG1-CD1 4.11Å; V145-L168 HydrophobicContact CG1-CD2 3.67Å
146	W	97	Very high	94.5	Very high	69 Å²	69	59.9 Å²	59.9	26%	0.261	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-41.2	172.5	-70.2	114.8	0	0	0	112.4	Y114 V117 L121 M141 Q142 P143 Q144 Y148 I149 L150	Y114-W146 HydrophobicContact CD2-CH2 4.06Å; Y114-W146 AromaticContact CE2-CH2 3.95Å; Y114-W146 HydrophobicContact CE2-CH2 3.95Å; V117-W146 HydrophobicContact CG2-CH2 4.47Å; V117-W146 HydrophobicContact CG2-CZ3 4.2Å; L121-W146 HydrophobicContact CD1-CH2 3.7Å; L121-W146 HydrophobicContact CD1-CZ3 4.45Å; M141-W146 HydrophobicContact CB-CZ2 3.94Å; M141-W146 HydrophobicContact CE-CD2 3.77Å; M141-W146 HydrophobicContact CE-CE3 3.72Å; M141-W146 HydrophobicContact CE-CH2 3.26Å; M141-W146 HydrophobicContact CE-CZ2 3.28Å; M141-W146 HydrophobicContact CE-CZ3 3.47Å; M141-W146 VanDerWaalsContact CE-CZ3 3.47Å; M141-W146 HydrophobicContact CG-CZ2 4.19Å; M141-W146 PolarHBondContact O-NE1 2.79Å; M141-W146 VanDerWaalsContact O-NE1 3.12Å; Q142-W146 PolarHBondContact O-N 3.13Å; P143-W146 WeakPolarHBondContact O-CB 3.4Å; P143-W146 PolarHBondContact O-N 3.14Å; P143-W146 VanDerWaalsContact O-N 3.13Å; Q144-W146 VanDerWaalsContact C-N 3.35Å; W146-Y148 VanDerWaalsContact C-N 3.33Å; W146-Y148 PolarHBondContact O-N 3.48Å; W146-I149 HydrophobicContact CE3-CD1 4.36Å; W146-I149 PolarHBondContact O-N 3.09Å; W146-L150 HydrophobicContact CE3-CD1 4.14Å; W146-L150 HydrophobicContact CE3-CG 4.43Å; W146-L150 WeakPolarHBondContact O-CB 3.41Å; W146-L150 PolarHBondContact O-N 2.91Å
147	D	96	Very high	94.4	Very high	52 Å²	52	63.7 Å²	63.7	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-43.8	174.4	-80.2	-21.6	0	0	0	111.4	P143 Q144 I149 R151 G152 V154	P143-D147 PolarHBondContact O-N 3.32Å; Q144-D147 PolarHBondContact O-N 2.88Å; D147-I149 VanDerWaalsContact C-N 3.31Å; D147-I149 PolarHBondContact O-N 3.4Å; D147-R151 CarbonylContact O-C 3.49Å; D147-R151 WeakPolarHBondContact O-CA 3.32Å; D147-R151 WeakPolarHBondContact O-CB 3.04Å; D147-R151 PolarHBondContact O-N 3.27Å; D147-R151 WeakPolarHBondContact OD1-CD 3.36Å; D147-G152 PolarHBondContact O-N 2.89Å; D147-V154 HydrophobicContact CB-CG2 3.84Å
148	Y	97.4	Very high	94.4	Very high	15 Å²	15	64.6 Å²	64.6	6%	0.059	35%	0.347	C	S	.	.	H	α-helix	trans	-55.9	-44.2	174.2	-179	-95.6	0	0	0	112.9	Q144 V145 W146 G152 V154 L159 L168 D169 R172	Q144-Y148 PolarHBondContact O-N 3.49Å; V145-Y148 WeakPolarHBondContact O-CB 3.25Å; V145-Y148 PolarHBondContact O-N 3.26Å; W146-Y148 VanDerWaalsContact C-N 3.33Å; W146-Y148 PolarHBondContact O-N 3.48Å; Y148-G152 WeakPolarHBondContact O-CA 3.09Å; Y148-V154 WeakPolarHBondContact CD2-O 3.29Å; Y148-L159 HydrophobicContact CD1-CD1 4.47Å; Y148-L159 HydrophobicContact CD2-CD1 4.02Å; Y148-L159 HydrophobicContact CG-CD1 3.86Å; Y148-L168 HydrophobicContact CD1-CB 3.89Å; Y148-L168 HydrophobicContact CD1-CD1 4.44Å; Y148-L168 HydrophobicContact CE1-CB 3.77Å; Y148-D169 PolarHBondContact OH-OD1 3.24Å; Y148-R172 WeakPolarHBondContact O-CD 3.31Å; Y148-R172 PolarHBondContact O-NH1 2.85Å
149	I	97.5	Very high	94.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-75.8	-47.6	-175	-65.8	164.6	0	0	0	111.3	V117 M141 V145 W146 D147 L168 L171 R172	V117-I149 HydrophobicContact CG1-CG2 4.41Å; M141-I149 HydrophobicContact CE-CD1 3.68Å; V145-I149 HydrophobicContact CG1-CD1 4.01Å; V145-I149 WeakPolarHBondContact O-CD1 3.38Å; V145-I149 VanDerWaalsContact O-CG1 3.27Å; V145-I149 WeakPolarHBondContact O-CG1 3.34Å; V145-I149 PolarHBondContact O-N 2.92Å; W146-I149 HydrophobicContact CE3-CD1 4.36Å; W146-I149 PolarHBondContact O-N 3.09Å; D147-I149 VanDerWaalsContact C-N 3.31Å; D147-I149 PolarHBondContact O-N 3.4Å; I149-L168 HydrophobicContact CD1-CD2 4.3Å; I149-L171 HydrophobicContact CD1-CB 4.02Å; I149-L171 HydrophobicContact CD1-CD1 3.73Å; I149-L171 HydrophobicContact CG1-CB 4.18Å; I149-L171 HydrophobicContact CG2-CB 4.1Å; I149-R172 WeakPolarHBondContact O-CG 3.35Å
150	L	97.3	Very high	94.2	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-98.1	-34.2	-166.1	-60.6	179.9	0	0	0	113.6	A113 W146 F175 W206	A113-L150 HydrophobicContact CB-CD2 4.22Å; W146-L150 HydrophobicContact CE3-CD1 4.14Å; W146-L150 HydrophobicContact CE3-CG 4.43Å; W146-L150 WeakPolarHBondContact O-CB 3.41Å; W146-L150 PolarHBondContact O-N 2.91Å; L150-F175 HydrophobicContact CD2-CB 4.3Å; L150-F175 HydrophobicContact CD2-CD1 4.16Å; L150-F175 HydrophobicContact CD2-CD2 3.55Å; L150-F175 HydrophobicContact CD2-CE1 4.43Å; L150-F175 HydrophobicContact CD2-CE2 3.84Å; L150-F175 HydrophobicContact CD2-CG 3.71Å; L150-F175 HydrophobicContact CD2-CZ 4.28Å; L150-F175 WeakPolarHBondContact O-CE1 3.31Å; L150-W206 HydrophobicContact CB-CZ2 4.36Å; L150-W206 PolarHBondContact O-NE1 3.32Å
151	R	95	Very high	94.2	Very high	106 Å²	106	62.6 Å²	62.6	40%	0.4	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-30.7	-178.3	-63.8	-173.9	70.7	-155	-2.5	112	D147 N153 I205	D147-R151 CarbonylContact O-C 3.49Å; D147-R151 WeakPolarHBondContact O-CA 3.32Å; D147-R151 WeakPolarHBondContact O-CB 3.04Å; D147-R151 PolarHBondContact O-N 3.27Å; D147-R151 WeakPolarHBondContact OD1-CD 3.36Å; R151-N153 HydrophobicContact CB-CB 4.45Å; R151-N153 VanDerWaalsContact CB-OD1 3.28Å; R151-N153 WeakPolarHBondContact CB-OD1 2.91Å; R151-N153 PolarHBondContact NH1-ND2 3.25Å; R151-N153 PolarHBondContact O-N 3.47Å; R151-I205 PolarHBondContact NE-O 3.31Å
152	G	91.9	Very high	94	Very high	22 Å²	22	66.1 Å²	66.1	23%	0.227	36%	0.355	C	S	.	.			trans	65.9	21.6	178	0	0	0	0	0	114.9	D147 Y148 R172	D147-G152 PolarHBondContact O-N 2.89Å; Y148-G152 WeakPolarHBondContact O-CA 3.09Å; G152-R172 PolarHBondContact O-NH2 2.93Å
153	N	91.3	Very high	94.1	Very high	85 Å²	85	61.5 Å²	61.5	46%	0.455	33%	0.334	S	S	.	.			trans	-97	2	-176.6	65.7	-34.4	0	0	0	113.5	R151	R151-N153 HydrophobicContact CB-CB 4.45Å; R151-N153 VanDerWaalsContact CB-OD1 3.28Å; R151-N153 WeakPolarHBondContact CB-OD1 2.91Å; R151-N153 PolarHBondContact NH1-ND2 3.25Å; R151-N153 PolarHBondContact O-N 3.47Å
154	V	92.7	Very high	94.2	Very high	19 Å²	19	62 Å²	62	12%	0.115	33%	0.329	C	S	.	.	S	Bend	trans	-120.4	139.8	175.5	-177.4	0	0	0	0	107.6	D147 Y148 E158 L159	D147-V154 HydrophobicContact CB-CG2 3.84Å; Y148-V154 WeakPolarHBondContact CD2-O 3.29Å; V154-E158 HydrophobicContact CG1-CB 4.03Å; V154-L159 HydrophobicContact CB-CD2 4.36Å; V154-L159 HydrophobicContact CG1-CD2 3.58Å; V154-L159 HydrophobicContact CG1-CG 4.46Å
155	D	93.8	Very high	94.3	Very high	113 Å²	113	62.2 Å²	62.2	60%	0.604	33%	0.329	S	S	*	.			trans	-84.7	146.7	175.1	-84.3	-32.1	0	0	0	111.3	A157 E158	D155-A157 PolarHBondContact O-N 3.43Å; D155-A157 VanDerWaalsContact O-N 3.11Å; D155-E158 HydrophobicContact CB-CG 4.29Å; D155-E158 WeakPolarHBondContact O-CB 3.43Å; D155-E158 PolarHBondContact O-N 3.09Å
156	Y	94.8	Very high	94.3	Very high	71 Å²	71	68.6 Å²	68.6	28%	0.278	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-55.1	-35.5	-179.7	176.9	-98.4	0	0	0	112.6	E158 L159 T161 V163 K165 L168	Y156-E158 PolarHBondContact O-N 2.92Å; Y156-L159 HydrophobicContact CD2-CD1 3.93Å; Y156-L159 PolarHBondContact O-N 3.41Å; Y156-T161 HydrophobicContact CE2-CG2 4.22Å; Y156-V163 WeakPolarHBondContact CE2-O 3.42Å; Y156-V163 PolarHBondContact OH-O 2.85Å; Y156-K165 HydrophobicContact CD1-CB 3.94Å; Y156-K165 HydrophobicContact CD1-CD 3.96Å; Y156-K165 HydrophobicContact CD1-CG 3.93Å; Y156-K165 HydrophobicContact CD2-CB 3.87Å; Y156-K165 HydrophobicContact CD2-CG 3.72Å; Y156-K165 HydrophobicContact CE1-CB 3.7Å; Y156-K165 HydrophobicContact CE1-CG 4.23Å; Y156-K165 HydrophobicContact CE2-CB 3.65Å; Y156-K165 HydrophobicContact CE2-CG 4.06Å; Y156-K165 HydrophobicContact CG-CB 4.01Å; Y156-K165 HydrophobicContact CG-CD 3.96Å; Y156-K165 HydrophobicContact CG-CG 3.65Å; Y156-K165 PolarHBondContact OH-N 2.97Å; Y156-K165 VanDerWaalsContact OH-N 3.16Å; Y156-L168 HydrophobicContact CD2-CD1 3.99Å; Y156-L168 HydrophobicContact CE2-CD1 3.86Å
157	A	92.9	Very high	94.4	Very high	88 Å²	88	66.9 Å²	66.9	73%	0.727	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21.9	179.3	0	0	0	0	0	113.3	D155	D155-A157 PolarHBondContact O-N 3.43Å; D155-A157 VanDerWaalsContact O-N 3.11Å
158	E	92.8	Very high	94.5	Very high	127 Å²	127	64.4 Å²	64.4	59%	0.593	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-89.7	-12.7	-178.5	-58.9	-179	175.5	0	0	112.9	V154 D155 Y156 N160	V154-E158 HydrophobicContact CG1-CB 4.03Å; D155-E158 HydrophobicContact CB-CG 4.29Å; D155-E158 WeakPolarHBondContact O-CB 3.43Å; D155-E158 PolarHBondContact O-N 3.09Å; Y156-E158 PolarHBondContact O-N 2.92Å; E158-N160 PolarHBondContact O-N 2.76Å
159	L	92	Very high	94.5	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.084	35%	0.346	C	S	.	.	S	Bend	trans	-73.9	-23.2	-170.9	-61.8	-178.8	0	0	0	114.6	Q144 Y148 V154 Y156 T161 L168	Q144-L159 HydrophobicContact CB-CD2 3.71Å; Q144-L159 WeakPolarHBondContact O-CD2 3.17Å; Y148-L159 HydrophobicContact CD1-CD1 4.47Å; Y148-L159 HydrophobicContact CD2-CD1 4.02Å; Y148-L159 HydrophobicContact CG-CD1 3.86Å; V154-L159 HydrophobicContact CB-CD2 4.36Å; V154-L159 HydrophobicContact CG1-CD2 3.58Å; V154-L159 HydrophobicContact CG1-CG 4.46Å; Y156-L159 HydrophobicContact CD2-CD1 3.93Å; Y156-L159 PolarHBondContact O-N 3.41Å; L159-T161 HydrophobicContact CB-CG2 3.82Å; L159-T161 HydrophobicContact CD1-CG2 4.32Å; L159-T161 PolarHBondContact O-N 2.92Å; L159-T161 VanDerWaalsContact O-N 3.07Å; L159-L168 HydrophobicContact CD1-CD1 3.74Å
160	N	88.4	Confident	94.5	Very high	159 Å²	159	70.7 Å²	70.7	85%	0.85	36%	0.364	S	S	*	.			trans	45.6	38.6	-174.5	-69.1	-38.2	0	0	0	113.7	E158	E158-N160 PolarHBondContact O-N 2.76Å
161	T	92	Very high	94.6	Very high	32 Å²	32	69.1 Å²	69.1	20%	0.196	36%	0.356	C	S	.	.			trans	-100.3	152	-177.4	-176.9	0	0	0	0	112.1	V145 Y156 L159 V163 L168	V145-T161 HydrophobicContact CG2-CG2 4.4Å; Y156-T161 HydrophobicContact CE2-CG2 4.22Å; L159-T161 HydrophobicContact CB-CG2 3.82Å; L159-T161 HydrophobicContact CD1-CG2 4.32Å; L159-T161 PolarHBondContact O-N 2.92Å; L159-T161 VanDerWaalsContact O-N 3.07Å; T161-V163 VanDerWaalsContact C-N 3.26Å; T161-V163 HydrophobicContact CG2-CB 4.36Å; T161-V163 PolarHBondContact OG1-N 3.48Å; T161-L168 HydrophobicContact CG2-CD1 4.09Å
162	S	92.1	Very high	94.7	Very high	96 Å²	96	67.1 Å²	67.1	67%	0.671	35%	0.349	S	S	*	.	S	Bend	trans	-76.2	-13.6	172.3	59.7	0	0	0	0	112.9	D140	D140-S162 PolarHBondContact OD1-OG 2.8Å
163	V	95.4	Very high	95	Very high	7 Å²	7	71.7 Å²	71.7	4%	0.042	36%	0.364	C	S	.	.	S	Bend	trans	-75.6	127	-176.2	-175.1	0	0	0	0	110.4	I136 D140 Y156 T161 K165 K167 L168	I136-V163 HydrophobicContact CD1-CG1 3.94Å; I136-V163 HydrophobicContact CG1-CG1 3.94Å; I136-V163 HydrophobicContact CG2-CG2 4.15Å; D140-V163 HydrophobicContact CB-CG2 3.61Å; Y156-V163 WeakPolarHBondContact CE2-O 3.42Å; Y156-V163 PolarHBondContact OH-O 2.85Å; T161-V163 VanDerWaalsContact C-N 3.26Å; T161-V163 HydrophobicContact CG2-CB 4.36Å; T161-V163 PolarHBondContact OG1-N 3.48Å; V163-K165 PolarHBondContact O-N 2.8Å; V163-K167 HydrophobicContact CG1-CB 4.02Å; V163-K167 HydrophobicContact CG1-CD 4.2Å; V163-L168 HydrophobicContact CB-CD2 4.19Å; V163-L168 HydrophobicContact CB-CG 4.33Å; V163-L168 HydrophobicContact CG1-CD2 3.63Å; V163-L168 HydrophobicContact CG1-CG 3.86Å
164	E	96.4	Very high	95.4	Very high	94 Å²	94	69.5 Å²	69.5	44%	0.439	35%	0.351	S	S	.	.			trans	-59.5	133.6	177.6	-60.4	163.7	89.4	0	0	111.5	W166 K167	E164-W166 VanDerWaalsContact C-N 3.27Å; E164-W166 PolarHBondContact O-N 3.24Å; E164-W166 VanDerWaalsContact O-N 3.13Å; E164-W166 PolarHBondContact OE1-NE1 2.85Å; E164-W166 VanDerWaalsContact OE1-NE1 3.08Å; E164-K167 HydrophobicContact CB-CD 4.39Å; E164-K167 HydrophobicContact CB-CG 4.46Å; E164-K167 WeakPolarHBondContact O-CB 3.17Å; E164-K167 PolarHBondContact O-N 2.86Å; E164-K167 WeakPolarHBondContact OE2-CE 3.29Å; E164-K167 IonicContact OE2-NZ 3.13Å; E164-K167 PolarHBondContact OE2-NZ 2.93Å
165	K	96.8	Very high	95.7	Very high	102 Å²	102	68.6 Å²	68.6	44%	0.443	35%	0.345	S	S	.	.	H	α-helix	trans	-48.3	-45.5	-176.9	-171.1	-177.1	173.9	-165.1	0	113.7	Y156 V163 K167 L168 D169	Y156-K165 HydrophobicContact CD1-CB 3.94Å; Y156-K165 HydrophobicContact CD1-CD 3.96Å; Y156-K165 HydrophobicContact CD1-CG 3.93Å; Y156-K165 HydrophobicContact CD2-CB 3.87Å; Y156-K165 HydrophobicContact CD2-CG 3.72Å; Y156-K165 HydrophobicContact CE1-CB 3.7Å; Y156-K165 HydrophobicContact CE1-CG 4.23Å; Y156-K165 HydrophobicContact CE2-CB 3.65Å; Y156-K165 HydrophobicContact CE2-CG 4.06Å; Y156-K165 HydrophobicContact CG-CB 4.01Å; Y156-K165 HydrophobicContact CG-CD 3.96Å; Y156-K165 HydrophobicContact CG-CG 3.65Å; Y156-K165 PolarHBondContact OH-N 2.97Å; Y156-K165 VanDerWaalsContact OH-N 3.16Å; V163-K165 PolarHBondContact O-N 2.8Å; K165-K167 PolarHBondContact O-N 2.89Å; K165-K167 VanDerWaalsContact O-N 3.14Å; K165-L168 PolarHBondContact O-N 3.27Å; K165-D169 WeakPolarHBondContact CE-OD2 2.94Å; K165-D169 PolarHBondContact O-N 3.17Å
166	W	97.8	Very high	95.9	Very high	135 Å²	135	67.3 Å²	67.3	51%	0.511	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-29.1	-176.2	74.3	-95.7	0	0	0	112.9	L134 E164 K170	L134-W166 HydrophobicContact CD2-CH2 4.12Å; L134-W166 HydrophobicContact CD2-CZ3 4.05Å; E164-W166 VanDerWaalsContact C-N 3.27Å; E164-W166 PolarHBondContact O-N 3.24Å; E164-W166 VanDerWaalsContact O-N 3.13Å; E164-W166 PolarHBondContact OE1-NE1 2.85Å; E164-W166 VanDerWaalsContact OE1-NE1 3.08Å; W166-K170 WeakPolarHBondContact O-CB 3.46Å; W166-K170 PolarHBondContact O-N 2.79Å
167	K	97.8	Very high	96	Very high	32 Å²	32	71.6 Å²	71.6	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-70.7	-45.7	175.7	-65.4	177.2	169.4	162.5	0	110.8	L134 I136 V163 E164 K165 K170 L171	L134-K167 HydrophobicContact CB-CD 4.45Å; L134-K167 HydrophobicContact CD1-CB 4.23Å; L134-K167 HydrophobicContact CD2-CG 4.45Å; L134-K167 WeakPolarHBondContact O-CD 3.08Å; L134-K167 WeakPolarHBondContact O-CE 3.38Å; L134-K167 PolarHBondContact O-NZ 3.27Å; I136-K167 HydrophobicContact CD1-CB 4.14Å; I136-K167 HydrophobicContact CG1-CD 4.32Å; V163-K167 HydrophobicContact CG1-CB 4.02Å; V163-K167 HydrophobicContact CG1-CD 4.2Å; E164-K167 HydrophobicContact CB-CD 4.39Å; E164-K167 HydrophobicContact CB-CG 4.46Å; E164-K167 WeakPolarHBondContact O-CB 3.17Å; E164-K167 PolarHBondContact O-N 2.86Å; E164-K167 WeakPolarHBondContact OE2-CE 3.29Å; E164-K167 IonicContact OE2-NZ 3.13Å; E164-K167 PolarHBondContact OE2-NZ 2.93Å; K165-K167 PolarHBondContact O-N 2.89Å; K165-K167 VanDerWaalsContact O-N 3.14Å; K167-K170 WeakPolarHBondContact O-CB 3.37Å; K167-K170 PolarHBondContact O-N 2.97Å; K167-L171 WeakPolarHBondContact O-CG 3.37Å; K167-L171 PolarHBondContact O-N 3.35Å
168	L	97.8	Very high	96.3	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-39.6	176.7	-58.5	-171.9	0	0	0	111.7	V145 Y148 I149 Y156 L159 T161 V163 K165 K170 L171 R172	V145-L168 HydrophobicContact CG1-CD1 4.11Å; V145-L168 HydrophobicContact CG1-CD2 3.67Å; Y148-L168 HydrophobicContact CD1-CB 3.89Å; Y148-L168 HydrophobicContact CD1-CD1 4.44Å; Y148-L168 HydrophobicContact CE1-CB 3.77Å; I149-L168 HydrophobicContact CD1-CD2 4.3Å; Y156-L168 HydrophobicContact CD2-CD1 3.99Å; Y156-L168 HydrophobicContact CE2-CD1 3.86Å; L159-L168 HydrophobicContact CD1-CD1 3.74Å; T161-L168 HydrophobicContact CG2-CD1 4.09Å; V163-L168 HydrophobicContact CB-CD2 4.19Å; V163-L168 HydrophobicContact CB-CG 4.33Å; V163-L168 HydrophobicContact CG1-CD2 3.63Å; V163-L168 HydrophobicContact CG1-CG 3.86Å; K165-L168 PolarHBondContact O-N 3.27Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 2.7Å; L168-L171 HydrophobicContact CD2-CD1 4.15Å; L168-L171 PolarHBondContact O-N 3Å; L168-R172 WeakPolarHBondContact O-CB 3.33Å; L168-R172 PolarHBondContact O-N 3.36Å
169	D	97.8	Very high	96.5	Very high	59 Å²	59	69.3 Å²	69.3	32%	0.316	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-40.3	173.8	-72.5	-10.9	0	0	0	111.2	Y148 K165 R172 H173	Y148-D169 PolarHBondContact OH-OD1 3.24Å; K165-D169 WeakPolarHBondContact CE-OD2 2.94Å; K165-D169 PolarHBondContact O-N 3.17Å; D169-R172 PolarHBondContact O-N 3Å; D169-H173 VanDerWaalsContact O-CB 3.3Å; D169-H173 WeakPolarHBondContact O-CB 3.31Å; D169-H173 PolarHBondContact O-N 3.47Å
170	K	98.3	Very high	96.8	Very high	89 Å²	89	69.2 Å²	69.2	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-44.7	175.7	-169.5	177.1	-178.1	180	0	112	L120 L134 W166 K167 L168 R172 H173 E174	L120-K170 HydrophobicContact CD1-CD 4.29Å; L120-K170 HydrophobicContact CD1-CG 4.07Å; L134-K170 HydrophobicContact CD2-CD 4.32Å; W166-K170 WeakPolarHBondContact O-CB 3.46Å; W166-K170 PolarHBondContact O-N 2.79Å; K167-K170 WeakPolarHBondContact O-CB 3.37Å; K167-K170 PolarHBondContact O-N 2.97Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 2.7Å; K170-R172 VanDerWaalsContact C-N 3.35Å; K170-H173 PolarHBondContact O-N 3.12Å; K170-E174 PolarHBondContact O-N 2.64Å
171	L	98.4	Very high	97.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-45.3	175.2	-65.8	171.2	0	0	0	111.4	V117 L120 L121 L134 I136 I149 K167 L168 H173 E174 F175	V117-L171 HydrophobicContact CB-CD2 3.79Å; V117-L171 HydrophobicContact CG1-CB 3.91Å; V117-L171 HydrophobicContact CG1-CD2 3.79Å; V117-L171 HydrophobicContact CG1-CG 4.45Å; L120-L171 HydrophobicContact CB-CD2 3.7Å; L120-L171 HydrophobicContact CD1-CD2 3.85Å; L120-L171 HydrophobicContact CG-CD2 4.4Å; L121-L171 HydrophobicContact CD2-CD1 4.04Å; L121-L171 HydrophobicContact CD2-CD2 4.12Å; L121-L171 HydrophobicContact CG-CD2 4.11Å; L134-L171 HydrophobicContact CD1-CD2 3.9Å; L134-L171 HydrophobicContact CD1-CG 3.97Å; I136-L171 HydrophobicContact CD1-CD1 3.72Å; I149-L171 HydrophobicContact CD1-CB 4.02Å; I149-L171 HydrophobicContact CD1-CD1 3.73Å; I149-L171 HydrophobicContact CG1-CB 4.18Å; I149-L171 HydrophobicContact CG2-CB 4.1Å; K167-L171 WeakPolarHBondContact O-CG 3.37Å; K167-L171 PolarHBondContact O-N 3.35Å; L168-L171 HydrophobicContact CD2-CD1 4.15Å; L168-L171 PolarHBondContact O-N 3Å; L171-H173 VanDerWaalsContact C-N 3.34Å; L171-H173 PolarHBondContact O-N 3.36Å; L171-E174 PolarHBondContact O-N 3.35Å; L171-F175 PolarHBondContact O-N 3.42Å; L171-F175 VanDerWaalsContact O-N 3.11Å
172	R	98	Very high	97.6	Very high	64 Å²	64	65.4 Å²	65.4	24%	0.242	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-42.6	176.3	-179.2	172.5	-178	157.4	-7.1	111.6	Y148 I149 G152 L168 D169 K170 F175 L176	Y148-R172 WeakPolarHBondContact O-CD 3.31Å; Y148-R172 PolarHBondContact O-NH1 2.85Å; I149-R172 WeakPolarHBondContact O-CG 3.35Å; G152-R172 PolarHBondContact O-NH2 2.93Å; L168-R172 WeakPolarHBondContact O-CB 3.33Å; L168-R172 PolarHBondContact O-N 3.36Å; D169-R172 PolarHBondContact O-N 3Å; K170-R172 VanDerWaalsContact C-N 3.35Å; R172-F175 PolarHBondContact O-N 2.84Å; R172-L176 HydrophobicContact CG-CD1 3.81Å; R172-L176 HydrophobicContact CG-CG 4.2Å; R172-L176 WeakPolarHBondContact O-CB 3.43Å; R172-L176 VanDerWaalsContact O-CG 3.29Å; R172-L176 WeakPolarHBondContact O-CG 3.22Å; R172-L176 PolarHBondContact O-N 3.36Å
173	H	98.4	Very high	97.9	Very high	118 Å²	118	64.3 Å²	64.3	55%	0.546	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-46.3	178.3	-178.5	72.6	0	0	0	111.9	D169 K170 L171 F175 L176 Y177	D169-H173 VanDerWaalsContact O-CB 3.3Å; D169-H173 WeakPolarHBondContact O-CB 3.31Å; D169-H173 PolarHBondContact O-N 3.47Å; K170-H173 PolarHBondContact O-N 3.12Å; L171-H173 VanDerWaalsContact C-N 3.34Å; L171-H173 PolarHBondContact O-N 3.36Å; H173-F175 PolarHBondContact O-N 2.85Å; H173-L176 PolarHBondContact O-N 2.73Å; H173-Y177 VanDerWaalsContact O-CB 3.3Å; H173-Y177 WeakPolarHBondContact O-CB 3.48Å; H173-Y177 PolarHBondContact O-N 3.22Å
174	E	98.6	Very high	98	Very high	39 Å²	39	65.9 Å²	65.9	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-48.4	174.8	-70.6	-68.3	156.8	0	0	111.2	T116 H119 L120 K170 L171 L176 Y177 W178	T116-E174 WeakPolarHBondContact O-CB 3.29Å; H119-E174 IonicContact CE1-OE2 2.73Å; H119-E174 IonicContact NE2-OE1 2.89Å; L120-E174 HydrophobicContact CD1-CG 3.74Å; K170-E174 PolarHBondContact O-N 2.64Å; L171-E174 PolarHBondContact O-N 3.35Å; E174-L176 PolarHBondContact O-N 3.36Å; E174-Y177 PolarHBondContact O-N 3.43Å; E174-W178 PolarHBondContact O-N 2.9Å; E174-W178 PolarHBondContact OE2-NE1 3.14Å
175	F	98.6	Very high	98.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-51.5	177.1	171.6	-103.7	0	0	0	111.8	A113 T116 L150 L171 R172 H173 Y177 W178 Y179 W206 K212	A113-F175 HydrophobicContact CB-CD2 4.21Å; A113-F175 HydrophobicContact CB-CE2 3.88Å; T116-F175 HydrophobicContact CG2-CD2 4.42Å; L150-F175 HydrophobicContact CD2-CB 4.3Å; L150-F175 HydrophobicContact CD2-CD1 4.16Å; L150-F175 HydrophobicContact CD2-CD2 3.55Å; L150-F175 HydrophobicContact CD2-CE1 4.43Å; L150-F175 HydrophobicContact CD2-CE2 3.84Å; L150-F175 HydrophobicContact CD2-CG 3.71Å; L150-F175 HydrophobicContact CD2-CZ 4.28Å; L150-F175 WeakPolarHBondContact O-CE1 3.31Å; L171-F175 PolarHBondContact O-N 3.42Å; L171-F175 VanDerWaalsContact O-N 3.11Å; R172-F175 PolarHBondContact O-N 2.84Å; H173-F175 PolarHBondContact O-N 2.85Å; F175-Y177 PolarHBondContact O-N 2.88Å; F175-W178 PolarHBondContact O-N 3.18Å; F175-Y179 HydrophobicContact CD2-CD2 4.12Å; F175-Y179 HydrophobicContact CD2-CG 4.07Å; F175-Y179 AromaticContact CE2-CD1 3.6Å; F175-Y179 HydrophobicContact CE2-CD1 3.6Å; F175-Y179 AromaticContact CE2-CD2 3.75Å; F175-Y179 HydrophobicContact CE2-CD2 3.75Å; F175-Y179 HydrophobicContact CE2-CE1 4.08Å; F175-Y179 HydrophobicContact CE2-CE2 4.22Å; F175-Y179 AromaticContact CE2-CG 3.41Å; F175-Y179 HydrophobicContact CE2-CG 3.41Å; F175-Y179 VanDerWaalsContact CE2-CG 3.41Å; F175-Y179 AromaticContact CZ-CD1 3.82Å; F175-Y179 HydrophobicContact CZ-CD1 3.82Å; F175-Y179 HydrophobicContact CZ-CE1 4.48Å; F175-Y179 AromaticContact CZ-CG 3.94Å; F175-Y179 HydrophobicContact CZ-CG 3.94Å; F175-Y179 WeakPolarHBondContact O-CB 3.35Å; F175-Y179 PolarHBondContact O-N 3.4Å; F175-W206 AromaticContact CE2-CZ2 3.95Å; F175-W206 HydrophobicContact CE2-CZ2 3.95Å; F175-W206 AromaticContact CZ-CE2 3.83Å; F175-W206 AromaticContact CZ-CZ2 3.63Å; F175-W206 HydrophobicContact CZ-CZ2 3.63Å; F175-W206 AromaticContact CZ-NE1 3.75Å; F175-K212 HydrophobicContact CE1-CD 4.33Å; F175-K212 HydrophobicContact CZ-CD 4.25Å
176	L	98	Very high	98.1	Very high	85 Å²	85	60 Å²	60	45%	0.445	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-26.3	-177.9	-70.1	177.7	0	0	0	113.6	R172 H173 E174	R172-L176 HydrophobicContact CG-CD1 3.81Å; R172-L176 HydrophobicContact CG-CG 4.2Å; R172-L176 WeakPolarHBondContact O-CB 3.43Å; R172-L176 VanDerWaalsContact O-CG 3.29Å; R172-L176 WeakPolarHBondContact O-CG 3.22Å; R172-L176 PolarHBondContact O-N 3.36Å; H173-L176 PolarHBondContact O-N 2.73Å; E174-L176 PolarHBondContact O-N 3.36Å
177	Y	98.3	Very high	98	Very high	161 Å²	161	54.3 Å²	54.3	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-76.8	-46.7	176.4	-179.5	-90.9	0	0	0	111.9	H173 E174 F175	H173-Y177 VanDerWaalsContact O-CB 3.3Å; H173-Y177 WeakPolarHBondContact O-CB 3.48Å; H173-Y177 PolarHBondContact O-N 3.22Å; E174-Y177 PolarHBondContact O-N 3.43Å; F175-Y177 PolarHBondContact O-N 2.88Å
178	W	98.6	Very high	97.9	Very high	151 Å²	151	55.5 Å²	55.5	57%	0.572	27%	0.267	S	S	*	.	H	α-helix	trans	-85.5	-26.9	-173	-69.8	113.4	0	0	0	114.4	T116 E174 F175	T116-W178 HydrophobicContact CG2-CB 3.79Å; E174-W178 PolarHBondContact O-N 2.9Å; E174-W178 PolarHBondContact OE2-NE1 3.14Å; F175-W178 PolarHBondContact O-N 3.18Å
179	Y	98.1	Very high	97.9	Very high	16 Å²	16	59.3 Å²	59.3	6%	0.063	29%	0.287	C	S	.	.			trans	-84.3	147.1	178.7	-116.6	-119.8	0	0	0	111.7	M112 A113 T116 F175 V181 H202 W206 K212	M112-Y179 HydrophobicContact CB-CE2 4.18Å; A113-Y179 HydrophobicContact CB-CE2 4.04Å; A113-Y179 PolarHBondContact N-OH 2.99Å; T116-Y179 HydrophobicContact CG2-CD2 4.16Å; F175-Y179 HydrophobicContact CD2-CD2 4.12Å; F175-Y179 HydrophobicContact CD2-CG 4.07Å; F175-Y179 AromaticContact CE2-CD1 3.6Å; F175-Y179 HydrophobicContact CE2-CD1 3.6Å; F175-Y179 AromaticContact CE2-CD2 3.75Å; F175-Y179 HydrophobicContact CE2-CD2 3.75Å; F175-Y179 HydrophobicContact CE2-CE1 4.08Å; F175-Y179 HydrophobicContact CE2-CE2 4.22Å; F175-Y179 AromaticContact CE2-CG 3.41Å; F175-Y179 HydrophobicContact CE2-CG 3.41Å; F175-Y179 VanDerWaalsContact CE2-CG 3.41Å; F175-Y179 AromaticContact CZ-CD1 3.82Å; F175-Y179 HydrophobicContact CZ-CD1 3.82Å; F175-Y179 HydrophobicContact CZ-CE1 4.48Å; F175-Y179 AromaticContact CZ-CG 3.94Å; F175-Y179 HydrophobicContact CZ-CG 3.94Å; F175-Y179 WeakPolarHBondContact O-CB 3.35Å; F175-Y179 PolarHBondContact O-N 3.4Å; Y179-V181 HydrophobicContact CE1-CG2 4.41Å; Y179-V181 HydrophobicContact CE2-CG2 3.8Å; Y179-H202 AromaticContact CE1-CD2 3.9Å; Y179-H202 AromaticContact CE1-NE2 3.69Å; Y179-H202 AromaticContact CZ-NE2 3.63Å; Y179-H202 PolarHBondContact OH-NE2 2.78Å; Y179-W206 HydrophobicContact CE1-CH2 4.08Å; Y179-W206 HydrophobicContact CE1-CZ3 4.21Å; Y179-K212 HydrophobicContact CD1-CB 4.31Å; Y179-K212 HydrophobicContact CD1-CD 4.35Å
180	P	98.1	Very high	97.8	Very high	15 Å²	15	58.8 Å²	58.8	10%	0.097	28%	0.284	C	S	.	.	S	Bend	cis	-81.4	173	10.2	34.1	-38.1	0	0	0	114.6	D182 S211 W213 K215	P180-D182 PolarHBondContact O-N 3.39Å; P180-S211 WeakPolarHBondContact CB-O 3.42Å; P180-S211 VanDerWaalsContact CD-O 3.27Å; P180-S211 WeakPolarHBondContact CD-O 3.48Å; P180-S211 WeakPolarHBondContact CG-O 3.4Å; P180-W213 WeakPolarHBondContact CB-O 3.3Å; P180-K215 HydrophobicContact CG-CD 4.02Å; P180-K215 HydrophobicContact CG-CG 3.9Å
181	V	98.6	Very high	97.8	Very high	18 Å²	18	54.8 Å²	54.8	11%	0.109	27%	0.267	C	S	.	.			trans	-64.3	107.4	169.2	-177.8	0	0	0	0	109.8	M112 Y179 R184 F198 K215	M112-V181 HydrophobicContact CB-CG2 3.69Å; M112-V181 HydrophobicContact CG-CG2 4.09Å; Y179-V181 HydrophobicContact CE1-CG2 4.41Å; Y179-V181 HydrophobicContact CE2-CG2 3.8Å; V181-R184 HydrophobicContact CG1-CB 4.33Å; V181-F198 HydrophobicContact CB-CZ 4.4Å; V181-F198 HydrophobicContact CG1-CZ 4.4Å; V181-F198 HydrophobicContact CG2-CE2 4.48Å; V181-K215 PolarHBondContact O-N 3.36Å
182	D	98.4	Very high	97.6	Very high	92 Å²	92	60.5 Å²	60.5	49%	0.492	29%	0.294	S	S	.	.			trans	-66.7	-43.7	179	-67.4	-58	0	0	0	112.1	P180 K215 S216	P180-D182 PolarHBondContact O-N 3.39Å; D182-K215 WeakPolarHBondContact OD1-CD 3.44Å; D182-K215 IonicContact OD1-NZ 3.52Å; D182-K215 PolarHBondContact OD1-NZ 3.16Å; D182-S216 WeakPolarHBondContact O-CB 3.36Å; D182-S216 PolarHBondContact O-N 3.13Å; D182-S216 PolarHBondContact O-OG 3.49Å
183	L	98	Very high	97.5	Very high	74 Å²	74	59.3 Å²	59.3	39%	0.387	29%	0.292	S	S	.	.			trans	-141	131.8	-179.6	176.2	64.5	0	0	0	111.7	Y64 S216 W218 M328	Y64-L183 HydrophobicContact CE2-CD1 4.12Å; L183-S216 WeakPolarHBondContact CA-OG 3.4Å; L183-S216 WeakPolarHBondContact CD1-OG 3.41Å; L183-W218 HydrophobicContact CD1-CB 3.82Å; L183-M328 HydrophobicContact CD1-CE 3.67Å; L183-M328 HydrophobicContact CD1-SD 3.92Å; L183-M328 HydrophobicContact CD2-CE 3.35Å; L183-M328 HydrophobicContact CD2-SD 4Å; L183-M328 HydrophobicContact CG-CE 4.04Å
184	R	98.2	Very high	97.5	Very high	40 Å²	40	54.2 Å²	54.2	15%	0.151	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.5	166.7	-179	62.5	179.4	-170.7	-2.7	110.6	Y111 M112 V181 H194 L195 F198 S216 I217 W218	Y111-R184 VanDerWaalsContact OH-CZ 3.27Å; Y111-R184 PolarHBondContact OH-NH1 2.73Å; Y111-R184 PolarHBondContact OH-NH2 2.86Å; M112-R184 VanDerWaalsContact CE-NH1 3.32Å; V181-R184 HydrophobicContact CG1-CB 4.33Å; R184-H194 PolarHBondContact NH2-NE2 3.47Å; R184-L195 HydrophobicContact CG-CD2 3.87Å; R184-F198 HydrophobicContact CB-CE1 4.42Å; R184-F198 HydrophobicContact CB-CZ 4.36Å; R184-S216 PolarHBondContact N-O 2.86Å; R184-I217 HydrophobicContact CB-CG1 4.26Å; R184-I217 VanDerWaalsContact O-CA 3.32Å; R184-I217 WeakPolarHBondContact O-CA 3.04Å; R184-W218 PolarHBondContact O-N 3.31Å
185	A	96.8	Very high	97.4	Very high	57 Å²	57	52.3 Å²	52.3	47%	0.471	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.8	176.7	0	0	0	0	0	111.9	W218	A185-W218 CarbonylContact C-O 3.59Å; A185-W218 VanDerWaalsContact CA-O 3.28Å; A185-W218 WeakPolarHBondContact CA-O 3.33Å; A185-W218 HydrophobicContact CB-CE3 4.03Å
186	S	97.1	Very high	97.4	Very high	14 Å²	14	52.3 Å²	52.3	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	163	-179.9	-175.8	0	0	0	0	113.7	L190 W218 A219 N220	S186-L190 WeakPolarHBondContact OG-CB 3.47Å; S186-L190 WeakPolarHBondContact OG-CD1 3.33Å; S186-W218 PolarHBondContact N-O 2.85Å; S186-A219 CarbonylContact O-C 3.56Å; S186-A219 WeakPolarHBondContact O-CA 3.33Å; S186-N220 PolarHBondContact O-N 3.29Å; S186-N220 PolarHBondContact O-OD1 2.95Å
187	G	96.4	Very high	97.4	Very high	16 Å²	16	48.4 Å²	48.4	17%	0.165	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	153.2	162.8	0	0	0	0	0	112.7	D189 L190 N220	G187-D189 VanDerWaalsContact C-OD1 3.27Å; G187-D189 WeakPolarHBondContact CA-OD1 3.3Å; G187-D189 PolarHBondContact O-N 2.77Å; G187-L190 PolarHBondContact O-N 3.03Å; G187-N220 CarbonylContact C-O 3.56Å; G187-N220 WeakPolarHBondContact CA-O 3.44Å
188	K	96.5	Very high	97.4	Very high	57 Å²	57	40.8 Å²	40.8	25%	0.248	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.7	-21.6	-179.2	68.9	-176.5	170.1	-162.2	0	114.5	L190 I191 N220 I263 D265	K188-L190 PolarHBondContact O-N 3.49Å; K188-I191 HydrophobicContact CB-CD1 3.98Å; K188-I191 WeakPolarHBondContact O-CB 3.35Å; K188-I191 WeakPolarHBondContact O-CG1 3.35Å; K188-I191 PolarHBondContact O-N 2.98Å; K188-N220 PolarHBondContact N-O 3.37Å; K188-I263 HydrophobicContact CB-CD1 4.39Å; K188-I263 HydrophobicContact CB-CG1 3.93Å; K188-I263 HydrophobicContact CD-CG1 4.07Å; K188-I263 WeakPolarHBondContact CD-O 3.34Å; K188-I263 PolarHBondContact NZ-O 3.47Å; K188-D265 VanDerWaalsContact CE-OD1 3.25Å; K188-D265 WeakPolarHBondContact CE-OD1 3.49Å; K188-D265 IonicContact NZ-OD1 2.78Å; K188-D265 PolarHBondContact NZ-OD1 2.77Å
189	D	95.8	Very high	97.4	Very high	81 Å²	81	33.6 Å²	33.6	43%	0.433	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-63.4	-24	176.4	57.4	-59.3	0	0	0	113.5	G187 N193 H222	G187-D189 VanDerWaalsContact C-OD1 3.27Å; G187-D189 WeakPolarHBondContact CA-OD1 3.3Å; G187-D189 PolarHBondContact O-N 2.77Å; D189-N193 PolarHBondContact O-ND2 3.23Å; D189-H222 IonicContact OD1-CE1 3.31Å; D189-H222 PolarHBondContact OD1-CE1 3.02Å
190	L	97.4	Very high	97.4	Very high	48 Å²	48	32.9 Å²	32.9	25%	0.251	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-88.8	-5.7	179.5	-65	-162.7	0	0	0	114	S186 G187 K188 N193 H194 L195	S186-L190 WeakPolarHBondContact OG-CB 3.47Å; S186-L190 WeakPolarHBondContact OG-CD1 3.33Å; G187-L190 PolarHBondContact O-N 3.03Å; K188-L190 PolarHBondContact O-N 3.49Å; L190-N193 WeakPolarHBondContact CA-OD1 3.27Å; L190-N193 WeakPolarHBondContact CD2-OD1 3.22Å; L190-N193 PolarHBondContact O-N 3.17Å; L190-N193 PolarHBondContact O-OD1 3.49Å; L190-H194 HydrophobicContact CB-CB 4.09Å; L190-H194 HydrophobicContact CD1-CB 4.31Å; L190-H194 HydrophobicContact CD2-CB 4.25Å; L190-H194 HydrophobicContact CG-CB 4.45Å; L190-H194 PolarHBondContact O-N 2.95Å; L190-L195 HydrophobicContact CB-CD1 4.44Å; L190-L195 HydrophobicContact CB-CG 4.24Å; L190-L195 WeakPolarHBondContact O-CB 3.37Å; L190-L195 WeakPolarHBondContact O-CG 3.45Å; L190-L195 PolarHBondContact O-N 2.94Å
191	I	96.7	Very high	97.4	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.18	C	C	.	.	I	π-helix	trans	-62	-47.8	-178.4	-65.1	171.2	0	0	0	111.1	V68 N71 L72 K188 N193 L195 A219 I263	V68-I191 HydrophobicContact CG1-CD1 4.19Å; V68-I191 HydrophobicContact CG2-CD1 4.29Å; N71-I191 HydrophobicContact CB-CG2 3.73Å; L72-I191 HydrophobicContact CD2-CG2 3.86Å; L72-I191 HydrophobicContact CG-CG2 3.89Å; K188-I191 HydrophobicContact CB-CD1 3.98Å; K188-I191 WeakPolarHBondContact O-CB 3.35Å; K188-I191 WeakPolarHBondContact O-CG1 3.35Å; K188-I191 PolarHBondContact O-N 2.98Å; I191-N193 PolarHBondContact O-N 3.42Å; I191-L195 HydrophobicContact CB-CD1 4.47Å; I191-L195 HydrophobicContact CG1-CD1 3.87Å; I191-A219 HydrophobicContact CD1-CB 3.78Å; I191-A219 HydrophobicContact CG1-CB 4.13Å; I191-I263 HydrophobicContact CD1-CD1 4.16Å
192	Q	95.4	Very high	97.4	Very high	120 Å²	120	32.3 Å²	32.3	56%	0.561	18%	0.175	S	C	*	.	I	π-helix	trans	-80.8	2.7	-172.1	-63.5	179.7	-15.7	0	0	113.9	T75	T75-Q192 HydrophobicContact CG2-CB 4.45Å; T75-Q192 WeakPolarHBondContact CG2-O 3.49Å
193	N	95.4	Very high	97.4	Very high	40 Å²	40	28 Å²	28	21%	0.214	15%	0.152	C	C	.	.	I	π-helix	trans	-139.7	-96.9	-178.5	47.5	65.2	0	0	0	110	L105 D189 L190 I191 L195 A196 F197	L105-N193 HydrophobicContact CD1-CB 4.33Å; D189-N193 PolarHBondContact O-ND2 3.23Å; L190-N193 WeakPolarHBondContact CA-OD1 3.27Å; L190-N193 WeakPolarHBondContact CD2-OD1 3.22Å; L190-N193 PolarHBondContact O-N 3.17Å; L190-N193 PolarHBondContact O-OD1 3.49Å; I191-N193 PolarHBondContact O-N 3.42Å; N193-L195 VanDerWaalsContact C-N 3.33Å; N193-L195 PolarHBondContact O-N 3.46Å; N193-A196 WeakPolarHBondContact O-CB 3.25Å; N193-A196 PolarHBondContact O-N 3.01Å; N193-F197 HydrophobicContact CB-CE2 3.95Å; N193-F197 HydrophobicContact CB-CZ 4Å; N193-F197 VanDerWaalsContact O-CD1 3.26Å; N193-F197 WeakPolarHBondContact O-CD1 3.25Å; N193-F197 WeakPolarHBondContact O-CG 3.28Å; N193-F197 PolarHBondContact O-N 3.44Å
194	H	97.9	Very high	97.4	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.046	15%	0.153	C	C	.	.	I	π-helix	trans	-46.3	-48.6	-175.8	-178.5	89.9	0	0	0	113.9	L105 S108 R184 L190 F197 F198	L105-H194 HydrophobicContact CD2-CB 4.05Å; S108-H194 PolarHBondContact O-CE1 3.19Å; S108-H194 PolarHBondContact OG-CE1 3.34Å; S108-H194 PolarHBondContact OG-ND1 3.37Å; R184-H194 PolarHBondContact NH2-NE2 3.47Å; L190-H194 HydrophobicContact CB-CB 4.09Å; L190-H194 HydrophobicContact CD1-CB 4.31Å; L190-H194 HydrophobicContact CD2-CB 4.25Å; L190-H194 HydrophobicContact CG-CB 4.45Å; L190-H194 PolarHBondContact O-N 2.95Å; H194-F197 PolarHBondContact O-N 2.8Å; H194-F198 WeakPolarHBondContact O-CB 3.43Å; H194-F198 PolarHBondContact O-N 3.05Å
195	L	98.1	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-71	-34.9	-177.4	-65.1	175.4	0	0	0	112.1	L72 R184 L190 I191 N193 F198 L199 I217	L72-L195 HydrophobicContact CD2-CB 4.16Å; R184-L195 HydrophobicContact CG-CD2 3.87Å; L190-L195 HydrophobicContact CB-CD1 4.44Å; L190-L195 HydrophobicContact CB-CG 4.24Å; L190-L195 WeakPolarHBondContact O-CB 3.37Å; L190-L195 WeakPolarHBondContact O-CG 3.45Å; L190-L195 PolarHBondContact O-N 2.94Å; I191-L195 HydrophobicContact CB-CD1 4.47Å; I191-L195 HydrophobicContact CG1-CD1 3.87Å; N193-L195 VanDerWaalsContact C-N 3.33Å; N193-L195 PolarHBondContact O-N 3.46Å; L195-F198 WeakPolarHBondContact O-CB 3.37Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 3.25Å; L195-I217 HydrophobicContact CB-CD1 4.33Å; L195-I217 HydrophobicContact CD1-CG2 3.85Å; L195-I217 HydrophobicContact CD2-CD1 4.28Å; L195-I217 HydrophobicContact CD2-CG2 4.32Å
196	A	97.8	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-47.2	170.8	0	0	0	0	0	110.6	T75 N193 F198 L199 F200	T75-A196 HydrophobicContact CG2-CB 3.64Å; N193-A196 WeakPolarHBondContact O-CB 3.25Å; N193-A196 PolarHBondContact O-N 3.01Å; A196-F198 VanDerWaalsContact C-N 3.3Å; A196-F198 PolarHBondContact O-N 2.84Å; A196-L199 PolarHBondContact O-N 2.91Å; A196-L199 VanDerWaalsContact O-N 3.09Å; A196-F200 WeakPolarHBondContact O-CD2 3.37Å; A196-F200 PolarHBondContact O-N 3.42Å
197	F	98.2	Very high	97.3	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-39.4	178.6	-55.2	-16.2	0	0	0	111.7	Y45 L79 Y82 L105 T109 N193 H194 L199 F200 N201	Y45-F197 HydrophobicContact CD2-CD1 4.12Å; Y45-F197 HydrophobicContact CD2-CE1 4.18Å; Y45-F197 AromaticContact CE2-CD1 3.47Å; Y45-F197 HydrophobicContact CE2-CD1 3.47Å; Y45-F197 VanDerWaalsContact CE2-CD1 3.47Å; Y45-F197 AromaticContact CE2-CE1 3.76Å; Y45-F197 HydrophobicContact CE2-CE1 3.76Å; Y45-F197 HydrophobicContact CE2-CG 4.01Å; Y45-F197 HydrophobicContact CE2-CZ 4.47Å; Y45-F197 AromaticContact CZ-CD1 3.87Å; L79-F197 HydrophobicContact CD1-CE1 4.07Å; L79-F197 HydrophobicContact CD2-CD1 3.79Å; L79-F197 HydrophobicContact CD2-CE1 3.61Å; L79-F197 HydrophobicContact CG-CE1 4.3Å; Y82-F197 HydrophobicContact CD1-CE2 4.46Å; Y82-F197 HydrophobicContact CD1-CZ 4.47Å; Y82-F197 HydrophobicContact CD2-CE1 4.39Å; Y82-F197 HydrophobicContact CD2-CE2 4.3Å; Y82-F197 AromaticContact CD2-CZ 3.66Å; Y82-F197 HydrophobicContact CD2-CZ 3.66Å; Y82-F197 HydrophobicContact CE1-CE2 4.16Å; Y82-F197 HydrophobicContact CE1-CZ 4.46Å; Y82-F197 AromaticContact CE2-CE2 3.97Å; Y82-F197 HydrophobicContact CE2-CE2 3.97Å; Y82-F197 AromaticContact CE2-CZ 3.63Å; Y82-F197 HydrophobicContact CE2-CZ 3.63Å; Y82-F197 HydrophobicContact CG-CZ 4.09Å; Y82-F197 AromaticContact CZ-CE2 3.9Å; L105-F197 HydrophobicContact CB-CD2 4.07Å; L105-F197 HydrophobicContact CB-CE2 3.88Å; L105-F197 HydrophobicContact CD1-CE2 4.4Å; L105-F197 WeakPolarHBondContact O-CD2 3.3Å; T109-F197 HydrophobicContact CG2-CB 3.66Å; N193-F197 HydrophobicContact CB-CE2 3.95Å; N193-F197 HydrophobicContact CB-CZ 4Å; N193-F197 VanDerWaalsContact O-CD1 3.26Å; N193-F197 WeakPolarHBondContact O-CD1 3.25Å; N193-F197 WeakPolarHBondContact O-CG 3.28Å; N193-F197 PolarHBondContact O-N 3.44Å; H194-F197 PolarHBondContact O-N 2.8Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 3.39Å; F197-F200 PolarHBondContact O-N 3.46Å; F197-N201 WeakPolarHBondContact O-CB 3.32Å; F197-N201 PolarHBondContact O-N 2.87Å; F197-N201 PolarHBondContact O-ND2 3.12Å
198	F	98.5	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-53.4	-47.2	172.7	161.6	-105.8	0	0	0	111.2	T109 M112 V181 R184 H194 L195 A196 H202 P214 I217	T109-F198 VanDerWaalsContact O-CD2 3.32Å; T109-F198 WeakPolarHBondContact O-CD2 3.46Å; M112-F198 HydrophobicContact CE-CD2 4.01Å; M112-F198 HydrophobicContact CE-CE2 4.12Å; M112-F198 HydrophobicContact SD-CD2 4Å; M112-F198 HydrophobicContact SD-CE2 3.84Å; V181-F198 HydrophobicContact CB-CZ 4.4Å; V181-F198 HydrophobicContact CG1-CZ 4.4Å; V181-F198 HydrophobicContact CG2-CE2 4.48Å; R184-F198 HydrophobicContact CB-CE1 4.42Å; R184-F198 HydrophobicContact CB-CZ 4.36Å; H194-F198 WeakPolarHBondContact O-CB 3.43Å; H194-F198 PolarHBondContact O-N 3.05Å; L195-F198 WeakPolarHBondContact O-CB 3.37Å; A196-F198 VanDerWaalsContact C-N 3.3Å; A196-F198 PolarHBondContact O-N 2.84Å; F198-H202 AromaticContact CD2-CE1 3.31Å; F198-H202 WeakPolarHBondContact CD2-CE1 3.47Å; F198-H202 AromaticContact CD2-ND1 3.54Å; F198-H202 AromaticContact CE2-CE1 3.12Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.27Å; F198-H202 AromaticContact CE2-ND1 3.65Å; F198-H202 AromaticContact CE2-NE2 3.74Å; F198-H202 PolarHBondContact O-N 3.4Å; F198-H202 VanDerWaalsContact O-N 3.09Å; F198-H202 PolarHBondContact O-ND1 2.76Å; F198-P214 HydrophobicContact CD1-CG 4.13Å; F198-P214 HydrophobicContact CE1-CB 3.42Å; F198-P214 VanDerWaalsContact CE1-CB 3.42Å; F198-P214 HydrophobicContact CE1-CG 3.26Å; F198-P214 HydrophobicContact CE2-CG 3.89Å; F198-P214 HydrophobicContact CZ-CB 3.44Å; F198-P214 VanDerWaalsContact CZ-CB 3.44Å; F198-P214 HydrophobicContact CZ-CG 3.11Å; F198-I217 HydrophobicContact CD1-CD1 4.13Å; F198-I217 HydrophobicContact CE1-CD1 4.09Å; F198-I217 HydrophobicContact CE1-CG1 4.35Å
199	L	98.3	Very high	97.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-48.8	177.4	-63.8	175.3	0	0	0	112.1	T54 V58 L61 L72 L195 A196 F197 N201 H202 V203 P214 I217	T54-L199 HydrophobicContact CG2-CB 3.98Å; V58-L199 HydrophobicContact CG2-CD1 3.6Å; L61-L199 HydrophobicContact CD2-CD1 4.43Å; L72-L199 HydrophobicContact CD2-CD1 4.41Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 3.25Å; A196-L199 PolarHBondContact O-N 2.91Å; A196-L199 VanDerWaalsContact O-N 3.09Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 3.39Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 3.47Å; L199-H202 PolarHBondContact O-N 3.24Å; L199-V203 WeakPolarHBondContact O-CG2 3.16Å; L199-V203 PolarHBondContact O-N 3.22Å; L199-V203 VanDerWaalsContact O-N 3.08Å; L199-P214 HydrophobicContact CD2-CB 4.18Å; L199-P214 HydrophobicContact CD2-CG 4.03Å; L199-I217 HydrophobicContact CD1-CD1 4.46Å; L199-I217 HydrophobicContact CD2-CD1 4.38Å; L199-I217 HydrophobicContact CG-CD1 4.48Å
200	F	98.4	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-53.1	-51.6	177.5	-88.2	-79.8	0	0	0	111.1	Y45 W50 K51 T54 V76 L79 A196 F197 H202 V203 A204	Y45-F200 HydrophobicContact CD1-CB 3.68Å; Y45-F200 AromaticContact CD1-CD1 3.69Å; Y45-F200 HydrophobicContact CD1-CD1 3.69Å; Y45-F200 HydrophobicContact CD1-CD2 4.04Å; Y45-F200 HydrophobicContact CD1-CE1 4.3Å; Y45-F200 AromaticContact CD1-CG 3.55Å; Y45-F200 HydrophobicContact CD1-CG 3.55Å; Y45-F200 HydrophobicContact CE1-CB 3.55Å; Y45-F200 HydrophobicContact CE1-CD1 4.44Å; Y45-F200 HydrophobicContact CE1-CD2 4.46Å; Y45-F200 AromaticContact CE1-CG 3.95Å; Y45-F200 HydrophobicContact CE1-CG 3.95Å; Y45-F200 HydrophobicContact CG-CD1 4.39Å; Y45-F200 HydrophobicContact CG-CD2 4.36Å; Y45-F200 HydrophobicContact CG-CG 4.28Å; W50-F200 AromaticContact CD1-CD1 3.77Å; W50-F200 AromaticContact CD2-CD1 3.82Å; W50-F200 HydrophobicContact CD2-CD1 3.82Å; W50-F200 HydrophobicContact CD2-CE1 4.49Å; W50-F200 AromaticContact CE2-CD1 3.7Å; W50-F200 AromaticContact CG-CD1 3.87Å; W50-F200 HydrophobicContact CG-CD1 3.87Å; W50-F200 HydrophobicContact CG-CE1 4.3Å; W50-F200 HydrophobicContact CZ2-CB 3.84Å; W50-F200 HydrophobicContact CZ2-CD1 4.32Å; W50-F200 WeakPolarHBondContact CZ2-O 3.44Å; W50-F200 AromaticContact NE1-CD1 3.64Å; W50-F200 PolarHBondContact NE1-O 3Å; K51-F200 HydrophobicContact CG-CE1 4.05Å; K51-F200 HydrophobicContact CG-CZ 4.04Å; T54-F200 HydrophobicContact CG2-CD1 4.1Å; T54-F200 HydrophobicContact CG2-CD2 3.91Å; T54-F200 HydrophobicContact CG2-CE1 4.27Å; T54-F200 HydrophobicContact CG2-CE2 4.06Å; T54-F200 HydrophobicContact CG2-CG 3.92Å; T54-F200 HydrophobicContact CG2-CZ 4.24Å; T54-F200 WeakPolarHBondContact OG1-CD1 3.47Å; V76-F200 HydrophobicContact CB-CE2 4.35Å; V76-F200 HydrophobicContact CB-CZ 4.49Å; V76-F200 HydrophobicContact CG1-CE2 4.23Å; V76-F200 HydrophobicContact CG1-CZ 3.93Å; V76-F200 HydrophobicContact CG2-CE2 3.99Å; L79-F200 HydrophobicContact CB-CE2 4.35Å; L79-F200 HydrophobicContact CB-CZ 4.49Å; L79-F200 HydrophobicContact CD2-CD2 3.92Å; L79-F200 HydrophobicContact CD2-CE2 3.53Å; L79-F200 HydrophobicContact CD2-CZ 4.28Å; A196-F200 WeakPolarHBondContact O-CD2 3.37Å; A196-F200 PolarHBondContact O-N 3.42Å; F197-F200 PolarHBondContact O-N 3.46Å; F200-H202 PolarHBondContact O-N 2.86Å; F200-V203 PolarHBondContact O-N 3.29Å; F200-A204 PolarHBondContact O-N 2.87Å
201	N	98.4	Very high	97.1	Very high	21 Å²	21	33 Å²	33	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-35.9	-176.5	-73.9	-90.3	0	0	0	112.7	Y45 I110 F197 L199 V203 A204 I205	Y45-N201 PolarHBondContact OH-ND2 3.4Å; I110-N201 HydrophobicContact CG2-CB 3.74Å; F197-N201 WeakPolarHBondContact O-CB 3.32Å; F197-N201 PolarHBondContact O-N 2.87Å; F197-N201 PolarHBondContact O-ND2 3.12Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 3.47Å; N201-V203 VanDerWaalsContact C-N 3.33Å; N201-V203 PolarHBondContact O-N 2.95Å; N201-A204 PolarHBondContact O-N 3.45Å; N201-I205 WeakPolarHBondContact O-CB 3.48Å; N201-I205 VanDerWaalsContact O-CG1 3.24Å; N201-I205 WeakPolarHBondContact O-CG1 3.24Å; N201-I205 PolarHBondContact O-N 3.09Å
202	H	98.4	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-43.8	174.4	-83.4	71	0	0	0	111.8	T109 Y179 F198 L199 F200 A204 I205 W206 P214	T109-H202 PolarHBondContact O-CE1 3.15Å; Y179-H202 AromaticContact CE1-CD2 3.9Å; Y179-H202 AromaticContact CE1-NE2 3.69Å; Y179-H202 AromaticContact CZ-NE2 3.63Å; Y179-H202 PolarHBondContact OH-NE2 2.78Å; F198-H202 AromaticContact CD2-CE1 3.31Å; F198-H202 WeakPolarHBondContact CD2-CE1 3.47Å; F198-H202 AromaticContact CD2-ND1 3.54Å; F198-H202 AromaticContact CE2-CE1 3.12Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.27Å; F198-H202 AromaticContact CE2-ND1 3.65Å; F198-H202 AromaticContact CE2-NE2 3.74Å; F198-H202 PolarHBondContact O-N 3.4Å; F198-H202 VanDerWaalsContact O-N 3.09Å; F198-H202 PolarHBondContact O-ND1 2.76Å; L199-H202 PolarHBondContact O-N 3.24Å; F200-H202 PolarHBondContact O-N 2.86Å; H202-A204 VanDerWaalsContact C-N 3.33Å; H202-A204 PolarHBondContact O-N 3.37Å; H202-I205 PolarHBondContact O-N 2.93Å; H202-W206 HydrophobicContact CB-CE3 4.44Å; H202-W206 AromaticContact CD2-CZ3 3.65Å; H202-W206 PolarHBondContact O-N 3.48Å; H202-P214 HydrophobicContact CB-CG 4.23Å
203	V	98	Very high	97.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-37.6	178.1	171.4	0	0	0	0	111.4	E53 A57 L199 F200 N201 W206 P207 W213	E53-V203 HydrophobicContact CB-CG1 3.26Å; E53-V203 HydrophobicContact CG-CG1 4.36Å; A57-V203 HydrophobicContact CB-CG2 3.69Å; L199-V203 WeakPolarHBondContact O-CG2 3.16Å; L199-V203 PolarHBondContact O-N 3.22Å; L199-V203 VanDerWaalsContact O-N 3.08Å; F200-V203 PolarHBondContact O-N 3.29Å; N201-V203 VanDerWaalsContact C-N 3.33Å; N201-V203 PolarHBondContact O-N 2.95Å; V203-W206 CarbonylContact O-C 3.52Å; V203-P207 WeakPolarHBondContact O-CA 3.32Å; V203-P207 WeakPolarHBondContact O-CB 3.39Å; V203-P207 VanDerWaalsContact O-N 3.17Å; V203-W213 HydrophobicContact CB-CZ2 4.34Å; V203-W213 HydrophobicContact CG1-CH2 4.32Å; V203-W213 HydrophobicContact CG1-CZ2 3.94Å; V203-W213 HydrophobicContact CG2-CD2 3.97Å; V203-W213 HydrophobicContact CG2-CE3 4.24Å; V203-W213 HydrophobicContact CG2-CH2 4.21Å; V203-W213 HydrophobicContact CG2-CZ2 3.96Å; V203-W213 HydrophobicContact CG2-CZ3 4.35Å
204	A	97.6	Very high	97.4	Very high	48 Å²	48	27.2 Å²	27.2	40%	0.397	16%	0.159	S	C	.	.	H	α-helix	trans	-71.2	-34.8	178.4	0	0	0	0	0	114	W50 F200 N201 H202 P207	W50-A204 HydrophobicContact CH2-CB 4.41Å; W50-A204 HydrophobicContact CZ2-CB 3.51Å; F200-A204 PolarHBondContact O-N 2.87Å; N201-A204 PolarHBondContact O-N 3.45Å; H202-A204 VanDerWaalsContact C-N 3.33Å; H202-A204 PolarHBondContact O-N 3.37Å; A204-P207 WeakPolarHBondContact O-CD 3.47Å
205	I	97.4	Very high	97.4	Very high	59 Å²	59	31.8 Å²	31.8	30%	0.303	18%	0.179	S	C	.	.	H	α-helix	trans	-81.5	-36.3	-178	-63.6	-66.2	0	0	0	111.7	I110 R151 N201 H202 P207	I110-I205 HydrophobicContact CD1-CD1 4.36Å; I110-I205 HydrophobicContact CD1-CG1 4.02Å; R151-I205 PolarHBondContact NE-O 3.31Å; N201-I205 WeakPolarHBondContact O-CB 3.48Å; N201-I205 VanDerWaalsContact O-CG1 3.24Å; N201-I205 WeakPolarHBondContact O-CG1 3.24Å; N201-I205 PolarHBondContact O-N 3.09Å; H202-I205 PolarHBondContact O-N 2.93Å; I205-P207 VanDerWaalsContact O-CD 3.32Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å
206	W	97.5	Very high	97.4	Very high	9 Å²	9	32 Å²	32	3%	0.034	18%	0.181	C	C	.	.	S	Bend	trans	-119.7	60.2	177.6	-59	-82.1	0	0	0	111.7	I110 A113 L150 F175 Y179 H202 V203 D208 D209 K212 W213	I110-W206 HydrophobicContact CG2-CZ3 4.31Å; A113-W206 HydrophobicContact CB-CH2 4.08Å; A113-W206 HydrophobicContact CB-CZ2 4.4Å; L150-W206 HydrophobicContact CB-CZ2 4.36Å; L150-W206 PolarHBondContact O-NE1 3.32Å; F175-W206 AromaticContact CE2-CZ2 3.95Å; F175-W206 HydrophobicContact CE2-CZ2 3.95Å; F175-W206 AromaticContact CZ-CE2 3.83Å; F175-W206 AromaticContact CZ-CZ2 3.63Å; F175-W206 HydrophobicContact CZ-CZ2 3.63Å; F175-W206 AromaticContact CZ-NE1 3.75Å; Y179-W206 HydrophobicContact CE1-CH2 4.08Å; Y179-W206 HydrophobicContact CE1-CZ3 4.21Å; H202-W206 HydrophobicContact CB-CE3 4.44Å; H202-W206 AromaticContact CD2-CZ3 3.65Å; H202-W206 PolarHBondContact O-N 3.48Å; V203-W206 CarbonylContact O-C 3.52Å; W206-D208 VanDerWaalsContact C-N 3.3Å; W206-D208 PolarHBondContact O-N 3.41Å; W206-D209 PolarHBondContact O-N 3.26Å; W206-K212 HydrophobicContact CB-CB 3.99Å; W206-K212 HydrophobicContact CD2-CB 4.12Å; W206-K212 HydrophobicContact CG-CB 3.79Å; W206-K212 HydrophobicContact CG-CG 4.23Å; W206-W213 PolarHBondContact O-NE1 2.78Å
207	P	96	Very high	97.4	Very high	56 Å²	56	32 Å²	32	36%	0.364	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.6	-175.1	27	-34.1	0	0	0	112.2	V203 A204 I205	V203-P207 WeakPolarHBondContact O-CA 3.32Å; V203-P207 WeakPolarHBondContact O-CB 3.39Å; V203-P207 VanDerWaalsContact O-N 3.17Å; A204-P207 WeakPolarHBondContact O-CD 3.47Å; I205-P207 VanDerWaalsContact O-CD 3.32Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å
208	D	93.5	Very high	97.3	Very high	145 Å²	145	33.6 Å²	33.6	78%	0.775	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-3	-175.6	-50.2	-54.5	0	0	0	113.2	W206	W206-D208 VanDerWaalsContact C-N 3.3Å; W206-D208 PolarHBondContact O-N 3.41Å
209	D	95.4	Very high	97.2	Very high	58 Å²	58	33.9 Å²	33.9	31%	0.31	19%	0.189	S	C	.	.			trans	-133.4	82.2	-176	-170.5	-2.2	0	0	0	112.1	W206 S211 K212	W206-D209 PolarHBondContact O-N 3.26Å; D209-S211 VanDerWaalsContact CG-OG 3.29Å; D209-S211 PolarHBondContact O-N 3.06Å; D209-S211 WeakPolarHBondContact OD1-CB 3.48Å; D209-S211 PolarHBondContact OD1-N 3.3Å; D209-S211 PolarHBondContact OD1-OG 3.44Å; D209-S211 PolarHBondContact OD2-OG 3.32Å; D209-K212 HydrophobicContact CB-CG 4.33Å; D209-K212 PolarHBondContact O-N 2.96Å; D209-K212 IonicContact OD1-NZ 3.64Å; D209-K212 WeakPolarHBondContact OD2-CG 3.41Å; D209-K212 IonicContact OD2-NZ 3.66Å; D209-K212 PolarHBondContact OD2-NZ 3.17Å
210	T	95.6	Very high	97.1	Very high	57 Å²	57	36 Å²	36	35%	0.35	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-63.1	-10.8	176.5	73.6	0	0	0	0	113.9	R60 K212 W213	R60-T210 VanDerWaalsContact NH1-CB 3.25Å; R60-T210 PolarHBondContact NH1-OG1 3.4Å; R60-T210 PolarHBondContact NH2-OG1 3.46Å; T210-K212 PolarHBondContact O-N 3.38Å; T210-W213 HydrophobicContact CG2-CD2 4.19Å; T210-W213 HydrophobicContact CG2-CE3 4.17Å; T210-W213 HydrophobicContact CG2-CH2 3.77Å; T210-W213 HydrophobicContact CG2-CZ2 3.75Å; T210-W213 HydrophobicContact CG2-CZ3 3.98Å; T210-W213 PolarHBondContact O-N 3.46Å
211	S	96.1	Very high	97	Very high	60 Å²	60	36 Å²	36	42%	0.42	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-71.6	-18	173.3	79.3	0	0	0	0	112.5	P180 D209	P180-S211 WeakPolarHBondContact CB-O 3.42Å; P180-S211 VanDerWaalsContact CD-O 3.27Å; P180-S211 WeakPolarHBondContact CD-O 3.48Å; P180-S211 WeakPolarHBondContact CG-O 3.4Å; D209-S211 VanDerWaalsContact CG-OG 3.29Å; D209-S211 PolarHBondContact O-N 3.06Å; D209-S211 WeakPolarHBondContact OD1-CB 3.48Å; D209-S211 PolarHBondContact OD1-N 3.3Å; D209-S211 PolarHBondContact OD1-OG 3.44Å; D209-S211 PolarHBondContact OD2-OG 3.32Å
212	K	97.3	Very high	96.9	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.096	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-91.7	-4.6	176.7	-57.6	-58.1	176.3	-58	0	113.4	F175 Y179 W206 D209 T210	F175-K212 HydrophobicContact CE1-CD 4.33Å; F175-K212 HydrophobicContact CZ-CD 4.25Å; Y179-K212 HydrophobicContact CD1-CB 4.31Å; Y179-K212 HydrophobicContact CD1-CD 4.35Å; W206-K212 HydrophobicContact CB-CB 3.99Å; W206-K212 HydrophobicContact CD2-CB 4.12Å; W206-K212 HydrophobicContact CG-CB 3.79Å; W206-K212 HydrophobicContact CG-CG 4.23Å; D209-K212 HydrophobicContact CB-CG 4.33Å; D209-K212 PolarHBondContact O-N 2.96Å; D209-K212 IonicContact OD1-NZ 3.64Å; D209-K212 WeakPolarHBondContact OD2-CG 3.41Å; D209-K212 IonicContact OD2-NZ 3.66Å; D209-K212 PolarHBondContact OD2-NZ 3.17Å; T210-K212 PolarHBondContact O-N 3.38Å
213	W	98	Very high	96.9	Very high	11 Å²	11	42.2 Å²	42.2	4%	0.042	23%	0.23	C	C	.	.	S	Bend	trans	-73.8	148.8	178.5	-62.8	2.2	0	0	0	110.9	K56 A57 P180 V203 W206 T210	K56-W213 HydrophobicContact CB-CZ3 4.17Å; A57-W213 HydrophobicContact CB-CD2 4.35Å; A57-W213 HydrophobicContact CB-CE3 3.63Å; A57-W213 HydrophobicContact CB-CZ3 3.95Å; P180-W213 WeakPolarHBondContact CB-O 3.3Å; V203-W213 HydrophobicContact CB-CZ2 4.34Å; V203-W213 HydrophobicContact CG1-CH2 4.32Å; V203-W213 HydrophobicContact CG1-CZ2 3.94Å; V203-W213 HydrophobicContact CG2-CD2 3.97Å; V203-W213 HydrophobicContact CG2-CE3 4.24Å; V203-W213 HydrophobicContact CG2-CH2 4.21Å; V203-W213 HydrophobicContact CG2-CZ2 3.96Å; V203-W213 HydrophobicContact CG2-CZ3 4.35Å; W206-W213 PolarHBondContact O-NE1 2.78Å; T210-W213 HydrophobicContact CG2-CD2 4.19Å; T210-W213 HydrophobicContact CG2-CE3 4.17Å; T210-W213 HydrophobicContact CG2-CH2 3.77Å; T210-W213 HydrophobicContact CG2-CZ2 3.75Å; T210-W213 HydrophobicContact CG2-CZ3 3.98Å; T210-W213 PolarHBondContact O-N 3.46Å
214	P	98.5	Very high	96.8	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.058	24%	0.239	C	C	.	.			trans	-56.1	138.4	179.5	-27.9	38.3	0	0	0	112.9	L61 F198 L199 H202	L61-P214 HydrophobicContact CD1-CB 4.24Å; L61-P214 WeakPolarHBondContact CD1-O 3.38Å; F198-P214 HydrophobicContact CD1-CG 4.13Å; F198-P214 HydrophobicContact CE1-CB 3.42Å; F198-P214 VanDerWaalsContact CE1-CB 3.42Å; F198-P214 HydrophobicContact CE1-CG 3.26Å; F198-P214 HydrophobicContact CE2-CG 3.89Å; F198-P214 HydrophobicContact CZ-CB 3.44Å; F198-P214 VanDerWaalsContact CZ-CB 3.44Å; F198-P214 HydrophobicContact CZ-CG 3.11Å; L199-P214 HydrophobicContact CD2-CB 4.18Å; L199-P214 HydrophobicContact CD2-CG 4.03Å; H202-P214 HydrophobicContact CB-CG 4.23Å
215	K	98.2	Very high	96.8	Very high	106 Å²	106	41.8 Å²	41.8	46%	0.461	22%	0.221	S	C	.	.			trans	-90.9	-38.8	-178.2	-68.3	-176.8	-177.2	151.3	0	113.7	N62 P180 V181 D182	N62-K215 PolarHBondContact N-O 2.92Å; P180-K215 HydrophobicContact CG-CD 4.02Å; P180-K215 HydrophobicContact CG-CG 3.9Å; V181-K215 PolarHBondContact O-N 3.36Å; D182-K215 WeakPolarHBondContact OD1-CD 3.44Å; D182-K215 IonicContact OD1-NZ 3.52Å; D182-K215 PolarHBondContact OD1-NZ 3.16Å
216	S	97.8	Very high	96.7	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-149.1	149.8	-179.6	77.6	0	0	0	0	114.2	N62 D182 L183 R184	N62-S216 CarbonylContact O-C 3.52Å; N62-S216 WeakPolarHBondContact O-CA 3.36Å; N62-S216 VanDerWaalsContact O-CB 3.22Å; N62-S216 WeakPolarHBondContact O-CB 3.26Å; D182-S216 WeakPolarHBondContact O-CB 3.36Å; D182-S216 PolarHBondContact O-N 3.13Å; D182-S216 PolarHBondContact O-OG 3.49Å; L183-S216 WeakPolarHBondContact CA-OG 3.4Å; L183-S216 WeakPolarHBondContact CD1-OG 3.41Å; R184-S216 PolarHBondContact N-O 2.86Å
217	I	98	Very high	96.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.3	172.5	-67.9	178.1	0	0	0	107.7	L61 N62 T63 L72 R184 L195 F198 L199	L61-I217 HydrophobicContact CD1-CG1 4.17Å; L61-I217 HydrophobicContact CD2-CB 3.96Å; L61-I217 HydrophobicContact CD2-CD1 3.59Å; L61-I217 HydrophobicContact CD2-CG1 3.72Å; L61-I217 HydrophobicContact CG-CG1 4.39Å; N62-I217 PolarHBondContact O-N 3.31Å; T63-I217 CarbonylContact C-O 3.55Å; T63-I217 VanDerWaalsContact CA-O 3.29Å; T63-I217 WeakPolarHBondContact CA-O 3.45Å; L72-I217 HydrophobicContact CD1-CD1 4.24Å; R184-I217 HydrophobicContact CB-CG1 4.26Å; R184-I217 VanDerWaalsContact O-CA 3.32Å; R184-I217 WeakPolarHBondContact O-CA 3.04Å; L195-I217 HydrophobicContact CB-CD1 4.33Å; L195-I217 HydrophobicContact CD1-CG2 3.85Å; L195-I217 HydrophobicContact CD2-CD1 4.28Å; L195-I217 HydrophobicContact CD2-CG2 4.32Å; F198-I217 HydrophobicContact CD1-CD1 4.13Å; F198-I217 HydrophobicContact CE1-CD1 4.09Å; F198-I217 HydrophobicContact CE1-CG1 4.35Å; L199-I217 HydrophobicContact CD1-CD1 4.46Å; L199-I217 HydrophobicContact CD2-CD1 4.38Å; L199-I217 HydrophobicContact CG-CD1 4.48Å
218	W	97	Very high	96.6	Very high	35 Å²	35	49.4 Å²	49.4	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.9	172.2	-177.2	86.7	0	0	0	109.2	Y64 L183 R184 A185 S186 N220 M328	Y64-W218 HydrophobicContact CD2-CB 4.05Å; Y64-W218 AromaticContact CD2-CD1 3.96Å; Y64-W218 HydrophobicContact CD2-CG 4.45Å; Y64-W218 HydrophobicContact CE2-CB 4.32Å; Y64-W218 AromaticContact CG-CD1 3.96Å; L183-W218 HydrophobicContact CD1-CB 3.82Å; R184-W218 PolarHBondContact O-N 3.31Å; A185-W218 CarbonylContact C-O 3.59Å; A185-W218 VanDerWaalsContact CA-O 3.28Å; A185-W218 WeakPolarHBondContact CA-O 3.33Å; A185-W218 HydrophobicContact CB-CE3 4.03Å; S186-W218 PolarHBondContact N-O 2.85Å; W218-N220 HydrophobicContact CE3-CB 4.4Å; W218-N220 HydrophobicContact CH2-CB 3.64Å; W218-N220 HydrophobicContact CZ2-CB 4.32Å; W218-N220 HydrophobicContact CZ3-CB 3.68Å; W218-N220 WeakPolarHBondContact CZ3-OD1 3.43Å; W218-M328 HydrophobicContact CB-SD 3.94Å; W218-M328 HydrophobicContact CG-SD 3.86Å
219	A	96.8	Very high	96.6	Very high	6 Å²	6	50.8 Å²	50.8	5%	0.05	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.2	-177.5	0	0	0	0	0	112.2	V68 S186 I191	V68-A219 HydrophobicContact CG1-CB 4.15Å; V68-A219 HydrophobicContact CG2-CB 3.84Å; S186-A219 CarbonylContact O-C 3.56Å; S186-A219 WeakPolarHBondContact O-CA 3.33Å; I191-A219 HydrophobicContact CD1-CB 3.78Å; I191-A219 HydrophobicContact CG1-CB 4.13Å
220	N	96.1	Very high	96.5	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	158.8	178.7	60.8	-91	0	0	0	112.6	S186 G187 K188 W218	S186-N220 PolarHBondContact O-N 3.29Å; S186-N220 PolarHBondContact O-OD1 2.95Å; G187-N220 CarbonylContact C-O 3.56Å; G187-N220 WeakPolarHBondContact CA-O 3.44Å; K188-N220 PolarHBondContact N-O 3.37Å; W218-N220 HydrophobicContact CE3-CB 4.4Å; W218-N220 HydrophobicContact CH2-CB 3.64Å; W218-N220 HydrophobicContact CZ2-CB 4.32Å; W218-N220 HydrophobicContact CZ3-CB 3.68Å; W218-N220 WeakPolarHBondContact CZ3-OD1 3.43Å
221	G	96	Very high	96.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	25%	0.25	C	S	.	.			trans	-68.2	176	170	0	0	0	0	0	113.7	T262 I263 E264	G221-T262 PolarHBondContact N-O 3.5Å; G221-T262 VanDerWaalsContact N-O 3.15Å; G221-I263 VanDerWaalsContact CA-O 3.3Å; G221-I263 WeakPolarHBondContact CA-O 3.33Å; G221-E264 VanDerWaalsContact CA-O 3.31Å; G221-E264 WeakPolarHBondContact CA-O 3.42Å
222	H	96.5	Very high	96	Very high	89 Å²	89	54.9 Å²	54.9	41%	0.412	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-72.2	151.1	173	-67.4	-63.4	0	0	0	110.4	D189 D265 A266	D189-H222 IonicContact OD1-CE1 3.31Å; D189-H222 PolarHBondContact OD1-CE1 3.02Å; H222-D265 IonicContact CD2-OD1 3.41Å; H222-D265 PolarHBondContact N-OD1 3.18Å; H222-D265 CarbonylContact O-C 3.53Å; H222-D265 VanDerWaalsContact O-CA 3.23Å; H222-D265 WeakPolarHBondContact O-CA 3.39Å; H222-D265 VanDerWaalsContact O-CB 3.31Å; H222-D265 WeakPolarHBondContact O-CB 3.34Å; H222-A266 PolarHBondContact O-N 3.27Å
223	L	97.1	Very high	95.6	Very high	62 Å²	62	59 Å²	59	33%	0.325	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.6	178.1	-169.7	67.1	0	0	0	110.3	M230 L256 A259 A266 F268	L223-M230 HydrophobicContact CB-CE 3.64Å; L223-M230 HydrophobicContact CD2-CE 3.85Å; L223-M230 HydrophobicContact CG-CE 3.83Å; L223-M230 WeakPolarHBondContact O-CE 3.06Å; L223-L256 HydrophobicContact CD2-CD2 4.05Å; L223-A259 HydrophobicContact CD1-CB 4.21Å; L223-A266 HydrophobicContact CD1-CB 4.01Å; L223-F268 HydrophobicContact CD1-CB 4.11Å; L223-F268 HydrophobicContact CD2-CB 4.45Å; L223-F268 HydrophobicContact CG-CB 4.37Å
224	L	96.9	Very high	95.1	Very high	38 Å²	38	62.9 Å²	62.9	20%	0.199	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	155.2	166.6	-56.2	176.4	0	0	0	109.7	E228 D265 A266 N267 F268	L224-E228 WeakPolarHBondContact CA-O 3.49Å; L224-D265 HydrophobicContact CD1-CB 4.11Å; L224-D265 HydrophobicContact CG-CB 4.1Å; L224-A266 WeakPolarHBondContact CB-O 3.36Å; L224-A266 PolarHBondContact N-O 3.06Å; L224-N267 HydrophobicContact CB-CB 4.36Å; L224-F268 PolarHBondContact O-N 3.01Å
225	L	97	Very high	94.7	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.2	172	176.7	58.8	0	0	0	108.1	N227 E228 M230 N236 L238 F268 E270	L225-N227 PolarHBondContact O-N 3.28Å; L225-E228 PolarHBondContact N-O 3.49Å; L225-E228 PolarHBondContact O-N 2.8Å; L225-M230 HydrophobicContact CB-CG 3.49Å; L225-M230 VanDerWaalsContact CB-CG 3.49Å; L225-M230 HydrophobicContact CB-SD 4.12Å; L225-M230 HydrophobicContact CD2-CG 4.43Å; L225-N236 WeakPolarHBondContact CD2-OD1 3.29Å; L225-N236 VanDerWaalsContact CG-OD1 3.24Å; L225-N236 WeakPolarHBondContact CG-OD1 3.36Å; L225-N236 PolarHBondContact O-ND2 3.39Å; L225-L238 HydrophobicContact CD1-CD1 3.91Å; L225-L238 HydrophobicContact CD2-CB 4.34Å; L225-L238 HydrophobicContact CD2-CD1 3.89Å; L225-L238 HydrophobicContact CD2-CG 4.01Å; L225-F268 HydrophobicContact CD1-CB 4.47Å; L225-F268 HydrophobicContact CD1-CD1 3.65Å; L225-F268 HydrophobicContact CD1-CE1 4.42Å; L225-F268 HydrophobicContact CD1-CG 4.49Å; L225-E270 HydrophobicContact CD1-CG 4.04Å
226	N	95.8	Very high	94.5	Very high	53 Å²	53	61.5 Å²	61.5	28%	0.283	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	44.6	-176.6	-56.2	-49.4	0	0	0	114	E228 N267 F268 E270	N226-E228 PolarHBondContact O-N 3.39Å; N226-N267 PolarHBondContact N-OD1 3.5Å; N226-F268 PolarHBondContact N-O 3.1Å; N226-E270 PolarHBondContact ND2-OE1 3.47Å; N226-E270 PolarHBondContact OD1-N 3.31Å
227	N	95.6	Very high	94.3	Very high	112 Å²	112	65.1 Å²	65.1	60%	0.599	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	7.1	-173.9	-53	-75.7	0	0	0	115.4	L225 N267	L225-N227 PolarHBondContact O-N 3.28Å; N227-N267 VanDerWaalsContact CG-ND2 3.29Å; N227-N267 PolarHBondContact N-OD1 2.75Å; N227-N267 PolarHBondContact OD1-ND2 3.29Å
228	E	95.3	Very high	94.1	Very high	119 Å²	119	67 Å²	67	56%	0.556	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	150	178.5	-70.7	-170.8	172.8	0	0	111.4	L224 L225 N226 M230 N236	L224-E228 WeakPolarHBondContact CA-O 3.49Å; L225-E228 PolarHBondContact N-O 3.49Å; L225-E228 PolarHBondContact O-N 2.8Å; N226-E228 PolarHBondContact O-N 3.39Å; E228-M230 PolarHBondContact O-N 3.14Å; E228-N236 VanDerWaalsContact CB-ND2 3.3Å; E228-N236 WeakPolarHBondContact CB-ND2 3.46Å
229	K	93.7	Very high	94	Very high	174 Å²	174	68 Å²	68	76%	0.757	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.3	175.3	-172.7	177.4	-177.5	176.3	0	109.3	S231	K229-S231 PolarHBondContact O-N 2.73Å
230	M	92.3	Very high	94	Very high	57 Å²	57	74 Å²	74	28%	0.281	40%	0.398	S	S	.	.			trans	-64.5	122.9	175.1	-75.5	-166.4	-75.2	0	0	110.7	L223 L225 E228 N236 F237	L223-M230 HydrophobicContact CB-CE 3.64Å; L223-M230 HydrophobicContact CD2-CE 3.85Å; L223-M230 HydrophobicContact CG-CE 3.83Å; L223-M230 WeakPolarHBondContact O-CE 3.06Å; L225-M230 HydrophobicContact CB-CG 3.49Å; L225-M230 VanDerWaalsContact CB-CG 3.49Å; L225-M230 HydrophobicContact CB-SD 4.12Å; L225-M230 HydrophobicContact CD2-CG 4.43Å; E228-M230 PolarHBondContact O-N 3.14Å; M230-N236 CarbonylContact C-O 3.39Å; M230-N236 VanDerWaalsContact CA-O 3.3Å; M230-N236 WeakPolarHBondContact CA-O 3.33Å; M230-F237 HydrophobicContact CB-CD2 4.32Å
231	S	91.5	Very high	94	Very high	40 Å²	40	77.7 Å²	77.7	28%	0.28	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-148.5	134.2	175.4	-178.3	0	0	0	0	111	K229 S233 T234 N236	K229-S231 PolarHBondContact O-N 2.73Å; S231-S233 PolarHBondContact O-N 2.92Å; S231-S233 PolarHBondContact OG-N 2.67Å; S231-S233 PolarHBondContact OG-OG 3.42Å; S231-T234 PolarHBondContact O-N 3.23Å; S231-T234 PolarHBondContact O-OG1 3.47Å; S231-T234 VanDerWaalsContact O-OG1 3.12Å; S231-N236 PolarHBondContact N-O 3.18Å; S231-N236 PolarHBondContact O-N 3.11Å
232	K	90.3	Very high	94.1	Very high	164 Å²	164	82 Å²	82	71%	0.713	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-61.8	-32	173.9	-65.6	-177	-179.9	-178.3	0	112.1	G235 F237	K232-G235 PolarHBondContact O-N 2.96Å; K232-F237 HydrophobicContact CG-CB 4.43Å; K232-F237 HydrophobicContact CG-CD1 4.14Å; K232-F237 HydrophobicContact CG-CD2 3.97Å; K232-F237 HydrophobicContact CG-CE1 4.41Å; K232-F237 HydrophobicContact CG-CE2 4.26Å; K232-F237 HydrophobicContact CG-CG 3.91Å; K232-F237 HydrophobicContact CG-CZ 4.47Å
233	S	89.6	Confident	94.1	Very high	109 Å²	109	78 Å²	78	76%	0.762	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-74.1	-26.7	-176	64.6	0	0	0	0	113.6	S231	S231-S233 PolarHBondContact O-N 2.92Å; S231-S233 PolarHBondContact OG-N 2.67Å; S231-S233 PolarHBondContact OG-OG 3.42Å
234	T	88	Confident	94.1	Very high	93 Å²	93	77.7 Å²	77.7	57%	0.571	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-90.4	-5	179.8	56.9	0	0	0	0	112.5	S231 N236	S231-T234 PolarHBondContact O-N 3.23Å; S231-T234 PolarHBondContact O-OG1 3.47Å; S231-T234 VanDerWaalsContact O-OG1 3.12Å; T234-N236 PolarHBondContact O-N 3.29Å; T234-N236 PolarHBondContact OG1-N 3.35Å
235	G	89.5	Confident	94.1	Very high	66 Å²	66	83.9 Å²	83.9	68%	0.68	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-6.7	-170.5	0	0	0	0	0	114	K232 F237	K232-G235 PolarHBondContact O-N 2.96Å; G235-F237 VanDerWaalsContact C-N 3.35Å; G235-F237 PolarHBondContact O-N 3.23Å; G235-F237 VanDerWaalsContact O-N 3.12Å
236	N	92.6	Very high	94.1	Very high	20 Å²	20	89.1 Å²	89.1	11%	0.107	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-86.8	74	177.1	-169.5	39.9	0	0	0	110.3	L225 E228 M230 S231 T234	L225-N236 WeakPolarHBondContact CD2-OD1 3.29Å; L225-N236 VanDerWaalsContact CG-OD1 3.24Å; L225-N236 WeakPolarHBondContact CG-OD1 3.36Å; L225-N236 PolarHBondContact O-ND2 3.39Å; E228-N236 VanDerWaalsContact CB-ND2 3.3Å; E228-N236 WeakPolarHBondContact CB-ND2 3.46Å; M230-N236 CarbonylContact C-O 3.39Å; M230-N236 VanDerWaalsContact CA-O 3.3Å; M230-N236 WeakPolarHBondContact CA-O 3.33Å; S231-N236 PolarHBondContact N-O 3.18Å; S231-N236 PolarHBondContact O-N 3.11Å; T234-N236 PolarHBondContact O-N 3.29Å; T234-N236 PolarHBondContact OG1-N 3.35Å
237	F	93.8	Very high	94.2	Very high	80 Å²	80	86.8 Å²	86.8	35%	0.351	46%	0.455	S	S	.	.			trans	-148.4	138.6	-179.6	-167.7	-93.2	0	0	0	110.3	M230 K232 G235 T239	M230-F237 HydrophobicContact CB-CD2 4.32Å; K232-F237 HydrophobicContact CG-CB 4.43Å; K232-F237 HydrophobicContact CG-CD1 4.14Å; K232-F237 HydrophobicContact CG-CD2 3.97Å; K232-F237 HydrophobicContact CG-CE1 4.41Å; K232-F237 HydrophobicContact CG-CE2 4.26Å; K232-F237 HydrophobicContact CG-CG 3.91Å; K232-F237 HydrophobicContact CG-CZ 4.47Å; G235-F237 VanDerWaalsContact C-N 3.35Å; G235-F237 PolarHBondContact O-N 3.23Å; G235-F237 VanDerWaalsContact O-N 3.12Å; F237-T239 HydrophobicContact CD1-CG2 4.44Å; F237-T239 HydrophobicContact CE1-CG2 3.87Å
238	L	93.9	Very high	94.3	Very high	39 Å²	39	84.3 Å²	84.3	20%	0.204	45%	0.446	C	S	.	.			trans	-131.1	125.6	172.7	-80.8	167.3	0	0	0	109	L225 E242	L225-L238 HydrophobicContact CD1-CD1 3.91Å; L225-L238 HydrophobicContact CD2-CB 4.34Å; L225-L238 HydrophobicContact CD2-CD1 3.89Å; L225-L238 HydrophobicContact CD2-CG 4.01Å; L238-E242 HydrophobicContact CD2-CB 4.1Å
239	T	96.2	Very high	94.4	Very high	57 Å²	57	79.9 Å²	79.9	35%	0.35	43%	0.43	S	S	.	.			trans	-74.2	161	165	65.8	0	0	0	0	110.3	F237 L241 E242 A243	F237-T239 HydrophobicContact CD1-CG2 4.44Å; F237-T239 HydrophobicContact CE1-CG2 3.87Å; T239-L241 VanDerWaalsContact C-N 3.3Å; T239-L241 PolarHBondContact O-N 2.88Å; T239-E242 WeakPolarHBondContact CB-OE2 3.07Å; T239-E242 WeakPolarHBondContact CG2-OE2 3.43Å; T239-E242 PolarHBondContact N-OE2 3.41Å; T239-E242 PolarHBondContact O-N 2.9Å; T239-E242 WeakPolarHBondContact OG1-CB 2.93Å; T239-E242 WeakPolarHBondContact OG1-CG 3.33Å; T239-E242 PolarHBondContact OG1-N 2.59Å; T239-E242 PolarHBondContact OG1-OE2 2.82Å; T239-A243 WeakPolarHBondContact O-CB 3.16Å; T239-A243 PolarHBondContact O-N 3.47Å
240	M	96.4	Very high	94.6	Very high	133 Å²	133	72.2 Å²	72.2	66%	0.655	40%	0.398	S	S	*	.	H	α-helix	trans	-56.9	-44	175.9	-176.1	-139.4	-66	0	0	111.9	A243 I244	M240-A243 PolarHBondContact O-N 3.38Å; M240-I244 HydrophobicContact CG-CD1 3.96Å; M240-I244 VanDerWaalsContact O-CG1 3.3Å; M240-I244 WeakPolarHBondContact O-CG1 3.45Å; M240-I244 PolarHBondContact O-N 3.05Å; M240-I244 HydrophobicContact SD-CD1 3.95Å
241	L	96.8	Very high	94.9	Very high	121 Å²	121	69.5 Å²	69.5	63%	0.634	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-45.6	-178.9	-71.8	171.9	0	0	0	111.6	T239 A243 I244 E245	T239-L241 VanDerWaalsContact C-N 3.3Å; T239-L241 PolarHBondContact O-N 2.88Å; L241-A243 VanDerWaalsContact C-N 3.3Å; L241-A243 PolarHBondContact O-N 2.79Å; L241-I244 PolarHBondContact O-N 3.37Å; L241-E245 WeakPolarHBondContact O-CG 3.42Å; L241-E245 PolarHBondContact O-N 2.94Å
242	E	96.8	Very high	95.2	Very high	91 Å²	91	68.6 Å²	68.6	43%	0.425	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-41.1	176.1	-70.9	161.2	157	0	0	111.6	L238 T239 E245 K246	L238-E242 HydrophobicContact CD2-CB 4.1Å; T239-E242 WeakPolarHBondContact CB-OE2 3.07Å; T239-E242 WeakPolarHBondContact CG2-OE2 3.43Å; T239-E242 PolarHBondContact N-OE2 3.41Å; T239-E242 PolarHBondContact O-N 2.9Å; T239-E242 WeakPolarHBondContact OG1-CB 2.93Å; T239-E242 WeakPolarHBondContact OG1-CG 3.33Å; T239-E242 PolarHBondContact OG1-N 2.59Å; T239-E242 PolarHBondContact OG1-OE2 2.82Å; E242-E245 PolarHBondContact O-N 2.9Å; E242-K246 VanDerWaalsContact O-CB 3.26Å; E242-K246 WeakPolarHBondContact O-CB 3.31Å; E242-K246 PolarHBondContact O-N 3.25Å
243	A	96.6	Very high	95.5	Very high	7 Å²	7	65.7 Å²	65.7	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-39.2	177	0	0	0	0	0	112.4	T239 M240 L241 K246 Y247 M252	T239-A243 WeakPolarHBondContact O-CB 3.16Å; T239-A243 PolarHBondContact O-N 3.47Å; M240-A243 PolarHBondContact O-N 3.38Å; L241-A243 VanDerWaalsContact C-N 3.3Å; L241-A243 PolarHBondContact O-N 2.79Å; A243-K246 PolarHBondContact O-N 3.22Å; A243-Y247 WeakPolarHBondContact O-CD2 3.45Å; A243-Y247 PolarHBondContact O-N 2.89Å; A243-M252 HydrophobicContact CB-CG 4.12Å; A243-M252 HydrophobicContact CB-SD 3.56Å; A243-M252 VanDerWaalsContact CB-SD 3.56Å
244	I	97.6	Very high	96	Very high	55 Å²	55	60.6 Å²	60.6	28%	0.282	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-44.6	174.3	-70.6	168.1	0	0	0	110.8	M240 L241 K246 S248 A249 M252	M240-I244 HydrophobicContact CG-CD1 3.96Å; M240-I244 VanDerWaalsContact O-CG1 3.3Å; M240-I244 WeakPolarHBondContact O-CG1 3.45Å; M240-I244 PolarHBondContact O-N 3.05Å; M240-I244 HydrophobicContact SD-CD1 3.95Å; L241-I244 PolarHBondContact O-N 3.37Å; I244-K246 VanDerWaalsContact C-N 3.27Å; I244-K246 PolarHBondContact O-N 2.87Å; I244-S248 CarbonylContact O-C 3.28Å; I244-S248 WeakPolarHBondContact O-CA 3.48Å; I244-S248 PolarHBondContact O-N 3Å; I244-A249 HydrophobicContact CG2-CB 4.49Å; I244-M252 HydrophobicContact CD1-CE 4.26Å; I244-M252 HydrophobicContact CG1-CE 3.76Å; I244-M252 HydrophobicContact CG1-SD 3.95Å
245	E	97.3	Very high	96.4	Very high	167 Å²	167	56.3 Å²	56.3	78%	0.78	30%	0.299	S	S	*	.	H	α-helix	trans	-62.4	-38	177.6	-74.2	179.3	177.1	0	0	111.6	L241 E242	L241-E245 WeakPolarHBondContact O-CG 3.42Å; L241-E245 PolarHBondContact O-N 2.94Å; E242-E245 PolarHBondContact O-N 2.9Å
246	K	96.5	Very high	96.8	Very high	114 Å²	114	56.5 Å²	56.5	50%	0.496	28%	0.284	S	S	.	.	H	α-helix	trans	-76.3	-38.9	-177.2	-165.6	170.7	-177.2	-173.3	0	113.8	E242 A243 I244 E270	E242-K246 VanDerWaalsContact O-CB 3.26Å; E242-K246 WeakPolarHBondContact O-CB 3.31Å; E242-K246 PolarHBondContact O-N 3.25Å; A243-K246 PolarHBondContact O-N 3.22Å; I244-K246 VanDerWaalsContact C-N 3.27Å; I244-K246 PolarHBondContact O-N 2.87Å; K246-E270 IonicContact NZ-OE2 3.74Å; K246-E270 PolarHBondContact NZ-OE2 3.36Å
247	Y	97.2	Very high	97.1	Very high	5 Å²	5	56 Å²	56	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-120.8	0.3	-171.4	-54.2	-66.9	0	0	0	115	A243 G251 F268 E270 A273 N274 V277	A243-Y247 WeakPolarHBondContact O-CD2 3.45Å; A243-Y247 PolarHBondContact O-N 2.89Å; Y247-G251 VanDerWaalsContact O-CA 3.31Å; Y247-G251 WeakPolarHBondContact O-CA 3.36Å; Y247-F268 HydrophobicContact CD2-CZ 4.14Å; Y247-F268 HydrophobicContact CE2-CE1 4.05Å; Y247-F268 HydrophobicContact CE2-CZ 4.14Å; Y247-E270 WeakPolarHBondContact OH-CB 3.38Å; Y247-E270 VanDerWaalsContact OH-CD 3.23Å; Y247-E270 WeakPolarHBondContact OH-CG 3.22Å; Y247-E270 PolarHBondContact OH-OE2 3.37Å; Y247-A273 HydrophobicContact CD1-CB 3.62Å; Y247-A273 HydrophobicContact CD2-CB 4.25Å; Y247-A273 HydrophobicContact CE1-CB 3.83Å; Y247-A273 HydrophobicContact CE2-CB 4.44Å; Y247-A273 HydrophobicContact CG-CB 3.85Å; Y247-N274 WeakPolarHBondContact CE1-OD1 3.29Å; Y247-V277 WeakPolarHBondContact O-CG2 3.49Å
248	S	97.4	Very high	97.2	Very high	59 Å²	59	54 Å²	54	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	63.2	163.2	-159.1	81.8	0	0	0	0	113.3	I244 D250 G251 M252	I244-S248 CarbonylContact O-C 3.28Å; I244-S248 WeakPolarHBondContact O-CA 3.48Å; I244-S248 PolarHBondContact O-N 3Å; S248-D250 PolarHBondContact O-N 3.22Å; S248-G251 PolarHBondContact O-N 2.86Å; S248-G251 PolarHBondContact OG-N 2.85Å; S248-M252 WeakPolarHBondContact O-CB 3.2Å; S248-M252 PolarHBondContact O-N 3.28Å
249	A	97.9	Very high	97.4	Very high	27 Å²	27	52.7 Å²	52.7	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-43.8	176.2	0	0	0	0	0	112.3	I244 R253	I244-A249 HydrophobicContact CG2-CB 4.49Å; A249-R253 WeakPolarHBondContact O-CB 3.45Å; A249-R253 WeakPolarHBondContact O-CD 3.43Å; A249-R253 WeakPolarHBondContact O-CG 3.32Å; A249-R253 PolarHBondContact O-N 2.94Å
250	D	98.4	Very high	97.3	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.064	26%	0.263	C	S	.	.	H	α-helix	trans	-72.3	-39.3	-178.7	-76.8	-1.8	0	0	0	112.1	S248 R253 L254 L280 C376 P377 H378 L379	S248-D250 PolarHBondContact O-N 3.22Å; D250-R253 PolarHBondContact O-N 3.36Å; D250-L254 WeakPolarHBondContact O-CB 3.19Å; D250-L254 PolarHBondContact O-N 3.46Å; D250-L280 HydrophobicContact CB-CD1 4.34Å; D250-C376 HydrophobicContact CB-CB 3.93Å; D250-P377 WeakPolarHBondContact OD1-CD 3.45Å; D250-H378 IonicContact OD1-CE1 3.42Å; D250-H378 IonicContact OD1-CG 3.61Å; D250-H378 IonicContact OD1-ND1 3.47Å; D250-H378 PolarHBondContact OD1-ND1 2.89Å; D250-H378 WeakPolarHBondContact OD2-CB 3.15Å; D250-H378 PolarHBondContact OD2-N 3.42Å; D250-H378 IonicContact OD2-ND1 3.52Å; D250-L379 WeakPolarHBondContact OD2-CB 3.39Å; D250-L379 PolarHBondContact OD2-N 3.43Å
251	G	97.7	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-41.8	175.7	0	0	0	0	0	112.6	Y247 S248 A255	Y247-G251 VanDerWaalsContact O-CA 3.31Å; Y247-G251 WeakPolarHBondContact O-CA 3.36Å; S248-G251 PolarHBondContact O-N 2.86Å; S248-G251 PolarHBondContact OG-N 2.85Å; G251-A255 PolarHBondContact O-N 3.39Å
252	M	97.8	Very high	96.9	Very high	22 Å²	22	43.6 Å²	43.6	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-48.1	173	-178.8	-169.3	70.8	0	0	111.4	A243 I244 S248 L254 A255 L256 F268	A243-M252 HydrophobicContact CB-CG 4.12Å; A243-M252 HydrophobicContact CB-SD 3.56Å; A243-M252 VanDerWaalsContact CB-SD 3.56Å; I244-M252 HydrophobicContact CD1-CE 4.26Å; I244-M252 HydrophobicContact CG1-CE 3.76Å; I244-M252 HydrophobicContact CG1-SD 3.95Å; S248-M252 WeakPolarHBondContact O-CB 3.2Å; S248-M252 PolarHBondContact O-N 3.28Å; M252-L254 VanDerWaalsContact C-N 3.34Å; M252-L254 PolarHBondContact O-N 3.49Å; M252-A255 PolarHBondContact O-N 2.87Å; M252-L256 HydrophobicContact CE-CD1 4.16Å; M252-L256 HydrophobicContact CG-CD1 3.87Å; M252-L256 HydrophobicContact CG-CG 4.38Å; M252-L256 WeakPolarHBondContact O-CG 3.29Å; M252-L256 PolarHBondContact O-N 2.98Å; M252-L256 HydrophobicContact SD-CD1 4.33Å; M252-F268 HydrophobicContact CG-CE2 4.19Å; M252-F268 HydrophobicContact CG-CZ 4.49Å
253	R	98.3	Very high	96.7	Very high	102 Å²	102	40.3 Å²	40.3	39%	0.385	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-38.7	-179.9	-74.2	168.6	68.2	113.3	3	112.5	A249 D250 L256 A257 P374 I375	A249-R253 WeakPolarHBondContact O-CB 3.45Å; A249-R253 WeakPolarHBondContact O-CD 3.43Å; A249-R253 WeakPolarHBondContact O-CG 3.32Å; A249-R253 PolarHBondContact O-N 2.94Å; D250-R253 PolarHBondContact O-N 3.36Å; R253-L256 PolarHBondContact O-N 2.8Å; R253-A257 WeakPolarHBondContact O-CB 3.24Å; R253-A257 PolarHBondContact O-N 2.94Å; R253-P374 PolarHBondContact NH2-O 3.38Å; R253-I375 VanDerWaalsContact CB-O 3.26Å; R253-I375 WeakPolarHBondContact CB-O 3.14Å; R253-I375 PolarHBondContact NE-O 3.44Å
254	L	98.4	Very high	96.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-44.3	175.2	-175.9	64	0	0	0	111.6	D250 M252 A257 D258 L280 V334 F338 L372 I375	D250-L254 WeakPolarHBondContact O-CB 3.19Å; D250-L254 PolarHBondContact O-N 3.46Å; M252-L254 VanDerWaalsContact C-N 3.34Å; M252-L254 PolarHBondContact O-N 3.49Å; L254-A257 PolarHBondContact O-N 3.39Å; L254-D258 PolarHBondContact O-N 3.34Å; L254-L280 HydrophobicContact CD2-CD1 3.9Å; L254-L280 HydrophobicContact CD2-CD2 4.28Å; L254-L280 HydrophobicContact CD2-CG 3.96Å; L254-V334 HydrophobicContact CD1-CG1 3.69Å; L254-V334 HydrophobicContact CD1-CG2 4.27Å; L254-F338 HydrophobicContact CD1-CD1 4.46Å; L254-F338 HydrophobicContact CD2-CE1 4.16Å; L254-L372 HydrophobicContact CD1-CD1 4.42Å; L254-I375 HydrophobicContact CB-CG2 4.45Å; L254-I375 HydrophobicContact CD1-CG2 4.14Å
255	A	97.9	Very high	96.6	Very high	4 Å²	4	47 Å²	47	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-34.8	176.2	0	0	0	0	0	112.9	G251 M252 D258 A259 F268 A273	G251-A255 PolarHBondContact O-N 3.39Å; M252-A255 PolarHBondContact O-N 2.87Å; A255-D258 PolarHBondContact O-N 3.38Å; A255-A259 PolarHBondContact O-N 3.05Å; A255-A259 VanDerWaalsContact O-N 3.1Å; A255-F268 HydrophobicContact CB-CD2 4.15Å; A255-F268 HydrophobicContact CB-CE2 3.59Å; A255-F268 HydrophobicContact CB-CZ 4.01Å; A255-A273 HydrophobicContact CB-CB 3.7Å
256	L	98	Very high	96.6	Very high	69 Å²	69	39.5 Å²	39.5	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-38.1	174.1	-75.4	168.1	0	0	0	112.1	L223 M252 R253 D258 A259 F268	L223-L256 HydrophobicContact CD2-CD2 4.05Å; M252-L256 HydrophobicContact CE-CD1 4.16Å; M252-L256 HydrophobicContact CG-CD1 3.87Å; M252-L256 HydrophobicContact CG-CG 4.38Å; M252-L256 WeakPolarHBondContact O-CG 3.29Å; M252-L256 PolarHBondContact O-N 2.98Å; M252-L256 HydrophobicContact SD-CD1 4.33Å; R253-L256 PolarHBondContact O-N 2.8Å; L256-D258 VanDerWaalsContact C-N 3.3Å; L256-D258 PolarHBondContact O-N 3.13Å; L256-A259 VanDerWaalsContact O-CB 3.29Å; L256-A259 WeakPolarHBondContact O-CB 3.41Å; L256-A259 PolarHBondContact O-N 2.64Å; L256-F268 HydrophobicContact CD2-CD2 3.79Å; L256-F268 HydrophobicContact CD2-CE2 4.31Å; L256-F268 HydrophobicContact CG-CD2 4.02Å; L256-F268 HydrophobicContact CG-CE2 4.07Å
257	A	97.9	Very high	96.6	Very high	9 Å²	9	35.4 Å²	35.4	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-32.1	175.2	0	0	0	0	0	112.3	R253 L254 F330 K331 V334 I375	R253-A257 WeakPolarHBondContact O-CB 3.24Å; R253-A257 PolarHBondContact O-N 2.94Å; L254-A257 PolarHBondContact O-N 3.39Å; A257-F330 HydrophobicContact CB-CB 4.39Å; A257-F330 CarbonylContact O-C 3.43Å; A257-K331 WeakPolarHBondContact O-CA 3.27Å; A257-K331 WeakPolarHBondContact O-CB 3.37Å; A257-K331 PolarHBondContact O-N 3.24Å; A257-K331 VanDerWaalsContact O-N 3.13Å; A257-V334 HydrophobicContact CB-CG2 3.69Å; A257-I375 HydrophobicContact CB-CD1 3.89Å; A257-I375 HydrophobicContact CB-CG1 4.43Å; A257-I375 HydrophobicContact CB-CG2 3.88Å
258	D	97.1	Very high	96.6	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-80.3	-14.7	174.5	-174.3	65.5	0	0	0	113.9	L254 A255 L256 G260 M272 K331	L254-D258 PolarHBondContact O-N 3.34Å; A255-D258 PolarHBondContact O-N 3.38Å; L256-D258 VanDerWaalsContact C-N 3.3Å; L256-D258 PolarHBondContact O-N 3.13Å; D258-G260 VanDerWaalsContact C-N 3.35Å; D258-G260 PolarHBondContact O-N 2.99Å; D258-M272 HydrophobicContact CB-CE 4.12Å; D258-K331 WeakPolarHBondContact O-CD 3.35Å; D258-K331 WeakPolarHBondContact O-CE 3.38Å; D258-K331 PolarHBondContact O-NZ 2.98Å; D258-K331 VanDerWaalsContact O-NZ 3.16Å
259	A	96.7	Very high	96.6	Very high	12 Å²	12	35.5 Å²	35.5	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-36.2	-170	0	0	0	0	0	113.3	L223 A255 L256 A266 N267	L223-A259 HydrophobicContact CD1-CB 4.21Å; A255-A259 PolarHBondContact O-N 3.05Å; A255-A259 VanDerWaalsContact O-N 3.1Å; L256-A259 VanDerWaalsContact O-CB 3.29Å; L256-A259 WeakPolarHBondContact O-CB 3.41Å; L256-A259 PolarHBondContact O-N 2.64Å; A259-A266 HydrophobicContact CB-CB 4.19Å; A259-A266 WeakPolarHBondContact O-CA 3.46Å; A259-N267 WeakPolarHBondContact CA-O 3.25Å; A259-N267 WeakPolarHBondContact CB-O 3.38Å; A259-N267 PolarHBondContact O-N 2.96Å
260	G	94.3	Very high	96.6	Very high	20 Å²	20	36.2 Å²	36.2	21%	0.206	19%	0.19	C	C	.	.			trans	149.6	142.3	176.2	0	0	0	0	0	113.6	D258	D258-G260 VanDerWaalsContact C-N 3.35Å; D258-G260 PolarHBondContact O-N 2.99Å
261	D	93.3	Very high	96.5	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.144	21%	0.211	C	C	.	.	S	Bend	trans	-115.4	11.6	-176.1	-46.9	-35.9	0	0	0	113	Q329 F330 K331	D261-Q329 VanDerWaalsContact OD2-CA 3.29Å; D261-Q329 WeakPolarHBondContact OD2-CA 3.15Å; D261-F330 VanDerWaalsContact CG-N 3.29Å; D261-F330 PolarHBondContact OD1-N 3.38Å; D261-F330 PolarHBondContact OD2-N 3.02Å; D261-K331 VanDerWaalsContact CG-N 3.34Å; D261-K331 PolarHBondContact OD1-N 2.85Å; D261-K331 WeakPolarHBondContact OD2-CA 3.28Å; D261-K331 WeakPolarHBondContact OD2-CB 3.46Å; D261-K331 PolarHBondContact OD2-N 2.95Å
262	T	91.5	Very high	96.4	Very high	74 Å²	74	41 Å²	41	45%	0.454	22%	0.221	S	C	.	.	S	Bend	trans	-108	177.1	-175.9	72.6	0	0	0	0	111.6	G221 E264	G221-T262 PolarHBondContact N-O 3.5Å; G221-T262 VanDerWaalsContact N-O 3.15Å; T262-E264 PolarHBondContact O-N 3.4Å; T262-E264 WeakPolarHBondContact OG1-CB 3.42Å; T262-E264 PolarHBondContact OG1-N 3.49Å
263	I	93.4	Very high	96.4	Very high	21 Å²	21	40 Å²	40	11%	0.108	22%	0.216	C	C	.	.	S	Bend	trans	-73.8	-14.1	172.5	-158.6	176.6	0	0	0	112.6	V68 K188 I191 G221	V68-I263 HydrophobicContact CG2-CD1 3.78Å; V68-I263 HydrophobicContact CG2-CG1 4.46Å; K188-I263 HydrophobicContact CB-CD1 4.39Å; K188-I263 HydrophobicContact CB-CG1 3.93Å; K188-I263 HydrophobicContact CD-CG1 4.07Å; K188-I263 WeakPolarHBondContact CD-O 3.34Å; K188-I263 PolarHBondContact NZ-O 3.47Å; I191-I263 HydrophobicContact CD1-CD1 4.16Å; G221-I263 VanDerWaalsContact CA-O 3.3Å; G221-I263 WeakPolarHBondContact CA-O 3.33Å
264	E	94.3	Very high	96.3	Very high	133 Å²	133	39.4 Å²	39.4	62%	0.621	22%	0.22	S	C	*	.	S	Bend	trans	-69.5	154.9	171	-62.5	-56.2	145.8	0	0	110.1	G221 T262 A266	G221-E264 VanDerWaalsContact CA-O 3.31Å; G221-E264 WeakPolarHBondContact CA-O 3.42Å; T262-E264 PolarHBondContact O-N 3.4Å; T262-E264 WeakPolarHBondContact OG1-CB 3.42Å; T262-E264 PolarHBondContact OG1-N 3.49Å; E264-A266 PolarHBondContact O-N 3.1Å
265	D	96.6	Very high	96.2	Very high	70 Å²	70	41.4 Å²	41.4	37%	0.374	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-61.4	122.7	-177.3	-72.8	-7.9	0	0	0	110.5	K188 H222 L224	K188-D265 VanDerWaalsContact CE-OD1 3.25Å; K188-D265 WeakPolarHBondContact CE-OD1 3.49Å; K188-D265 IonicContact NZ-OD1 2.78Å; K188-D265 PolarHBondContact NZ-OD1 2.77Å; H222-D265 IonicContact CD2-OD1 3.41Å; H222-D265 PolarHBondContact N-OD1 3.18Å; H222-D265 CarbonylContact O-C 3.53Å; H222-D265 VanDerWaalsContact O-CA 3.23Å; H222-D265 WeakPolarHBondContact O-CA 3.39Å; H222-D265 VanDerWaalsContact O-CB 3.31Å; H222-D265 WeakPolarHBondContact O-CB 3.34Å; L224-D265 HydrophobicContact CD1-CB 4.11Å; L224-D265 HydrophobicContact CG-CB 4.1Å
266	A	97.1	Very high	96.1	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	155.1	176.7	0	0	0	0	0	109.6	H222 L223 L224 A259 E264	H222-A266 PolarHBondContact O-N 3.27Å; L223-A266 HydrophobicContact CD1-CB 4.01Å; L224-A266 WeakPolarHBondContact CB-O 3.36Å; L224-A266 PolarHBondContact N-O 3.06Å; A259-A266 HydrophobicContact CB-CB 4.19Å; A259-A266 WeakPolarHBondContact O-CA 3.46Å; E264-A266 PolarHBondContact O-N 3.1Å
267	N	97.6	Very high	96	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	112.7	-176.9	-177.1	27.4	0	0	0	112.5	L224 N226 N227 A259 M269	L224-N267 HydrophobicContact CB-CB 4.36Å; N226-N267 PolarHBondContact N-OD1 3.5Å; N227-N267 VanDerWaalsContact CG-ND2 3.29Å; N227-N267 PolarHBondContact N-OD1 2.75Å; N227-N267 PolarHBondContact OD1-ND2 3.29Å; A259-N267 WeakPolarHBondContact CA-O 3.25Å; A259-N267 WeakPolarHBondContact CB-O 3.38Å; A259-N267 PolarHBondContact O-N 2.96Å; N267-M269 WeakPolarHBondContact ND2-CG 3.43Å; N267-M269 PolarHBondContact ND2-SD 2.95Å; N267-M269 PolarHBondContact O-N 3.02Å
268	F	97.8	Very high	96	Very high	9 Å²	9	45 Å²	45	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110	170.7	-171.7	-85.6	0	0	0	109.8	L223 L224 L225 N226 Y247 M252 A255 L256 E270 A273	L223-F268 HydrophobicContact CD1-CB 4.11Å; L223-F268 HydrophobicContact CD2-CB 4.45Å; L223-F268 HydrophobicContact CG-CB 4.37Å; L224-F268 PolarHBondContact O-N 3.01Å; L225-F268 HydrophobicContact CD1-CB 4.47Å; L225-F268 HydrophobicContact CD1-CD1 3.65Å; L225-F268 HydrophobicContact CD1-CE1 4.42Å; L225-F268 HydrophobicContact CD1-CG 4.49Å; N226-F268 PolarHBondContact N-O 3.1Å; Y247-F268 HydrophobicContact CD2-CZ 4.14Å; Y247-F268 HydrophobicContact CE2-CE1 4.05Å; Y247-F268 HydrophobicContact CE2-CZ 4.14Å; M252-F268 HydrophobicContact CG-CE2 4.19Å; M252-F268 HydrophobicContact CG-CZ 4.49Å; A255-F268 HydrophobicContact CB-CD2 4.15Å; A255-F268 HydrophobicContact CB-CE2 3.59Å; A255-F268 HydrophobicContact CB-CZ 4.01Å; L256-F268 HydrophobicContact CD2-CD2 3.79Å; L256-F268 HydrophobicContact CD2-CE2 4.31Å; L256-F268 HydrophobicContact CG-CD2 4.02Å; L256-F268 HydrophobicContact CG-CE2 4.07Å; F268-E270 HydrophobicContact CE1-CG 4.26Å; F268-A273 HydrophobicContact CE1-CB 4.41Å; F268-A273 HydrophobicContact CZ-CB 4.05Å
269	M	97.1	Very high	96	Very high	58 Å²	58	48.5 Å²	48.5	29%	0.286	27%	0.266	S	S	.	.			trans	-98.9	115.9	177	-70	-70.5	-69.1	0	0	110.4	N267 S271 M272 A273	N267-M269 WeakPolarHBondContact ND2-CG 3.43Å; N267-M269 PolarHBondContact ND2-SD 2.95Å; N267-M269 PolarHBondContact O-N 3.02Å; M269-S271 PolarHBondContact O-N 3.33Å; M269-M272 HydrophobicContact CB-CB 3.89Å; M269-M272 WeakPolarHBondContact O-CB 3.24Å; M269-M272 PolarHBondContact O-N 3.34Å; M269-A273 PolarHBondContact O-N 2.75Å; M269-A273 VanDerWaalsContact O-N 3.07Å
270	E	96.9	Very high	96.1	Very high	41 Å²	41	48.3 Å²	48.3	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-32.7	178.7	-66.9	-174.1	-122.6	0	0	112.5	L225 N226 K246 Y247 F268 M272 A273 N274	L225-E270 HydrophobicContact CD1-CG 4.04Å; N226-E270 PolarHBondContact ND2-OE1 3.47Å; N226-E270 PolarHBondContact OD1-N 3.31Å; K246-E270 IonicContact NZ-OE2 3.74Å; K246-E270 PolarHBondContact NZ-OE2 3.36Å; Y247-E270 WeakPolarHBondContact OH-CB 3.38Å; Y247-E270 VanDerWaalsContact OH-CD 3.23Å; Y247-E270 WeakPolarHBondContact OH-CG 3.22Å; Y247-E270 PolarHBondContact OH-OE2 3.37Å; F268-E270 HydrophobicContact CE1-CG 4.26Å; E270-M272 VanDerWaalsContact C-N 3.29Å; E270-M272 PolarHBondContact O-N 3.02Å; E270-A273 PolarHBondContact O-N 3.31Å; E270-N274 PolarHBondContact O-N 3.21Å; E270-N274 PolarHBondContact O-ND2 3.49Å; E270-N274 VanDerWaalsContact O-ND2 3.13Å
271	S	96.8	Very high	96.3	Very high	73 Å²	73	52.7 Å²	52.7	51%	0.51	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-37.3	174.6	56.3	0	0	0	0	112.1	M269 A275	M269-S271 PolarHBondContact O-N 3.33Å; S271-A275 WeakPolarHBondContact O-CB 3.35Å; S271-A275 PolarHBondContact O-N 3.37Å
272	M	96	Very high	96.4	Very high	41 Å²	41	55.4 Å²	55.4	20%	0.202	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-40.9	175.3	-176.5	53.8	171.4	0	0	111.3	D258 M269 E270 N274 A275 G276 F339	D258-M272 HydrophobicContact CB-CE 4.12Å; M269-M272 HydrophobicContact CB-CB 3.89Å; M269-M272 WeakPolarHBondContact O-CB 3.24Å; M269-M272 PolarHBondContact O-N 3.34Å; E270-M272 VanDerWaalsContact C-N 3.29Å; E270-M272 PolarHBondContact O-N 3.02Å; M272-N274 PolarHBondContact O-N 2.68Å; M272-A275 PolarHBondContact O-N 3.02Å; M272-G276 PolarHBondContact O-N 2.64Å; M272-F339 HydrophobicContact CE-CE1 4.32Å; M272-F339 HydrophobicContact CE-CE2 3.55Å; M272-F339 HydrophobicContact CE-CZ 3.28Å
273	A	96.9	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-47.2	173.9	0	0	0	0	0	111.9	Y247 A255 F268 M269 E270 A275 G276 V277	Y247-A273 HydrophobicContact CD1-CB 3.62Å; Y247-A273 HydrophobicContact CD2-CB 4.25Å; Y247-A273 HydrophobicContact CE1-CB 3.83Å; Y247-A273 HydrophobicContact CE2-CB 4.44Å; Y247-A273 HydrophobicContact CG-CB 3.85Å; A255-A273 HydrophobicContact CB-CB 3.7Å; F268-A273 HydrophobicContact CE1-CB 4.41Å; F268-A273 HydrophobicContact CZ-CB 4.05Å; M269-A273 PolarHBondContact O-N 2.75Å; M269-A273 VanDerWaalsContact O-N 3.07Å; E270-A273 PolarHBondContact O-N 3.31Å; A273-A275 PolarHBondContact O-N 3.03Å; A273-G276 PolarHBondContact O-N 2.92Å; A273-V277 WeakPolarHBondContact O-CG2 3.4Å; A273-V277 PolarHBondContact O-N 3.12Å
274	N	96.6	Very high	96.9	Very high	90 Å²	90	52.4 Å²	52.4	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-46.3	176.5	-74.2	-41.6	0	0	0	112.6	Y247 E270 M272 G276 V277 L278	Y247-N274 WeakPolarHBondContact CE1-OD1 3.29Å; E270-N274 PolarHBondContact O-N 3.21Å; E270-N274 PolarHBondContact O-ND2 3.49Å; E270-N274 VanDerWaalsContact O-ND2 3.13Å; M272-N274 PolarHBondContact O-N 2.68Å; N274-G276 VanDerWaalsContact C-N 3.31Å; N274-G276 PolarHBondContact O-N 3.21Å; N274-V277 PolarHBondContact O-N 3.29Å; N274-L278 PolarHBondContact O-N 2.8Å; N274-L278 VanDerWaalsContact O-N 3.15Å
275	A	96.3	Very high	97.1	Very high	43 Å²	43	49 Å²	49	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-37.5	177.1	0	0	0	0	0	112	S271 M272 A273 L278 R279	S271-A275 WeakPolarHBondContact O-CB 3.35Å; S271-A275 PolarHBondContact O-N 3.37Å; M272-A275 PolarHBondContact O-N 3.02Å; A273-A275 PolarHBondContact O-N 3.03Å; A275-L278 PolarHBondContact O-N 3.12Å; A275-R279 WeakPolarHBondContact O-CG 3.41Å; A275-R279 PolarHBondContact O-N 2.61Å
276	G	95.4	Very high	97.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-50.1	174.7	0	0	0	0	0	112.1	M272 A273 N274 L278 R279 L280	M272-G276 PolarHBondContact O-N 2.64Å; A273-G276 PolarHBondContact O-N 2.92Å; N274-G276 VanDerWaalsContact C-N 3.31Å; N274-G276 PolarHBondContact O-N 3.21Å; G276-L278 VanDerWaalsContact C-N 3.32Å; G276-L278 PolarHBondContact O-N 3.19Å; G276-R279 PolarHBondContact O-N 3.14Å; G276-L280 WeakPolarHBondContact O-CB 3.42Å; G276-L280 VanDerWaalsContact O-CG 3.29Å; G276-L280 WeakPolarHBondContact O-CG 3.46Å; G276-L280 PolarHBondContact O-N 2.76Å
277	V	97.5	Very high	97	Very high	52 Å²	52	47.9 Å²	47.9	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-45.8	176.2	172	0	0	0	0	111.4	Y247 A273 N274 R279 L280 F281	Y247-V277 WeakPolarHBondContact O-CG2 3.49Å; A273-V277 WeakPolarHBondContact O-CG2 3.4Å; A273-V277 PolarHBondContact O-N 3.12Å; N274-V277 PolarHBondContact O-N 3.29Å; V277-R279 PolarHBondContact O-N 3.45Å; V277-L280 PolarHBondContact O-N 2.92Å; V277-F281 WeakPolarHBondContact O-CB 3.44Å; V277-F281 PolarHBondContact O-N 2.62Å
278	L	97.3	Very high	96.9	Very high	104 Å²	104	50.4 Å²	50.4	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-42.7	178.6	-176.1	64.1	0	0	0	112.1	N274 A275 G276 F281 N282	N274-L278 PolarHBondContact O-N 2.8Å; N274-L278 VanDerWaalsContact O-N 3.15Å; A275-L278 PolarHBondContact O-N 3.12Å; G276-L278 VanDerWaalsContact C-N 3.32Å; G276-L278 PolarHBondContact O-N 3.19Å; L278-F281 PolarHBondContact O-N 2.95Å; L278-N282 WeakPolarHBondContact O-CB 3.24Å; L278-N282 VanDerWaalsContact O-CG 3.25Å; L278-N282 PolarHBondContact O-N 3.04Å; L278-N282 PolarHBondContact O-ND2 3.17Å
279	R	97	Very high	96.7	Very high	113 Å²	113	56.1 Å²	56.1	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-41.7	177.3	-74.6	175.9	-179.9	-100	5	112.4	A275 G276 V277 F281 N282 F283 F338	A275-R279 WeakPolarHBondContact O-CG 3.41Å; A275-R279 PolarHBondContact O-N 2.61Å; G276-R279 PolarHBondContact O-N 3.14Å; V277-R279 PolarHBondContact O-N 3.45Å; R279-F281 VanDerWaalsContact C-N 3.34Å; R279-N282 PolarHBondContact O-N 3.42Å; R279-F283 WeakPolarHBondContact O-CB 3.46Å; R279-F283 PolarHBondContact O-N 3.38Å; R279-F338 HydrophobicContact CB-CE1 4.17Å; R279-F338 HydrophobicContact CB-CZ 4.05Å
280	L	98	Very high	96.4	Very high	8 Å²	8	54 Å²	54	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-44.7	175.1	-72.7	176.7	0	0	0	111	D250 L254 G276 V277 F283 L284 F338 L372 L379	D250-L280 HydrophobicContact CB-CD1 4.34Å; L254-L280 HydrophobicContact CD2-CD1 3.9Å; L254-L280 HydrophobicContact CD2-CD2 4.28Å; L254-L280 HydrophobicContact CD2-CG 3.96Å; G276-L280 WeakPolarHBondContact O-CB 3.42Å; G276-L280 VanDerWaalsContact O-CG 3.29Å; G276-L280 WeakPolarHBondContact O-CG 3.46Å; G276-L280 PolarHBondContact O-N 2.76Å; V277-L280 PolarHBondContact O-N 2.92Å; L280-F283 PolarHBondContact O-N 3.24Å; L280-L284 PolarHBondContact O-N 3.42Å; L280-F338 HydrophobicContact CD2-CE2 4.13Å; L280-F338 HydrophobicContact CD2-CZ 3.87Å; L280-F338 HydrophobicContact CG-CZ 4.45Å; L280-L372 HydrophobicContact CD2-CD2 3.96Å; L280-L379 HydrophobicContact CB-CD1 3.74Å; L280-L379 HydrophobicContact CD2-CD1 4.07Å; L280-L379 HydrophobicContact CG-CD1 4.38Å
281	F	97.9	Very high	96	Very high	111 Å²	111	53.9 Å²	53.9	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-49.8	175.4	179.3	-95.5	0	0	0	111.9	V277 L278 R279 F283 L284 Q285	V277-F281 WeakPolarHBondContact O-CB 3.44Å; V277-F281 PolarHBondContact O-N 2.62Å; L278-F281 PolarHBondContact O-N 2.95Å; R279-F281 VanDerWaalsContact C-N 3.34Å; F281-F283 VanDerWaalsContact C-N 3.31Å; F281-F283 PolarHBondContact O-N 2.92Å; F281-L284 PolarHBondContact O-N 2.94Å; F281-L284 VanDerWaalsContact O-N 3.17Å; F281-Q285 HydrophobicContact CD1-CG 4.08Å; F281-Q285 HydrophobicContact CE1-CG 3.64Å; F281-Q285 HydrophobicContact CE2-CG 4.22Å; F281-Q285 VanDerWaalsContact CE2-NE2 3.29Å; F281-Q285 HydrophobicContact CZ-CG 3.72Å; F281-Q285 VanDerWaalsContact CZ-NE2 3.3Å; F281-Q285 WeakPolarHBondContact O-CG 3.48Å; F281-Q285 PolarHBondContact O-N 3.14Å
282	N	97.2	Very high	95.5	Very high	85 Å²	85	55.8 Å²	55.8	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-39.6	179.6	-71.2	-17.6	0	0	0	112	L278 R279 Q285 W286	L278-N282 WeakPolarHBondContact O-CB 3.24Å; L278-N282 VanDerWaalsContact O-CG 3.25Å; L278-N282 PolarHBondContact O-N 3.04Å; L278-N282 PolarHBondContact O-ND2 3.17Å; R279-N282 PolarHBondContact O-N 3.42Å; N282-Q285 PolarHBondContact O-N 3.41Å; N282-W286 VanDerWaalsContact O-CB 3.31Å; N282-W286 WeakPolarHBondContact O-CB 3.49Å; N282-W286 PolarHBondContact O-N 3.47Å
283	F	97.5	Very high	94.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-48.2	173.9	173.3	-119.5	0	0	0	111.4	R279 L280 F281 Q285 W286 V287 F364 Q368 L379 V383	R279-F283 WeakPolarHBondContact O-CB 3.46Å; R279-F283 PolarHBondContact O-N 3.38Å; L280-F283 PolarHBondContact O-N 3.24Å; F281-F283 VanDerWaalsContact C-N 3.31Å; F281-F283 PolarHBondContact O-N 2.92Å; F283-Q285 PolarHBondContact O-N 3.3Å; F283-W286 HydrophobicContact CD2-CE3 4.17Å; F283-W286 HydrophobicContact CE2-CE3 4.28Å; F283-W286 HydrophobicContact CE2-CZ3 4.24Å; F283-W286 PolarHBondContact O-N 3.18Å; F283-V287 HydrophobicContact CD2-CG2 4.11Å; F283-V287 HydrophobicContact CE1-CG2 4.39Å; F283-V287 HydrophobicContact CE2-CG2 3.68Å; F283-V287 HydrophobicContact CZ-CG2 3.83Å; F283-V287 WeakPolarHBondContact O-CG2 3.39Å; F283-V287 PolarHBondContact O-N 3.35Å; F283-F364 HydrophobicContact CE2-CE1 4.49Å; F283-Q368 HydrophobicContact CE1-CG 4.15Å; F283-Q368 HydrophobicContact CE2-CG 3.79Å; F283-Q368 HydrophobicContact CZ-CB 4.18Å; F283-Q368 HydrophobicContact CZ-CG 3.5Å; F283-Q368 VanDerWaalsContact CZ-CG 3.5Å; F283-L379 HydrophobicContact CD1-CD2 3.85Å; F283-L379 HydrophobicContact CE1-CD2 3.94Å; F283-V383 HydrophobicContact CE1-CG2 4.03Å
284	L	97.9	Very high	93.2	Very high	30 Å²	30	59.4 Å²	59.4	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-41.2	178.6	-179.8	61.2	0	0	0	112.6	L280 F281 V287 K288 L379 T382 V383 L386	L280-L284 PolarHBondContact O-N 3.42Å; F281-L284 PolarHBondContact O-N 2.94Å; F281-L284 VanDerWaalsContact O-N 3.17Å; L284-V287 PolarHBondContact O-N 3.42Å; L284-K288 WeakPolarHBondContact O-CG 3.48Å; L284-K288 PolarHBondContact O-N 2.97Å; L284-K288 VanDerWaalsContact O-N 3.14Å; L284-L379 HydrophobicContact CB-CD1 4.4Å; L284-T382 HydrophobicContact CD1-CG2 4.21Å; L284-V383 HydrophobicContact CD1-CG2 3.99Å; L284-L386 HydrophobicContact CD1-CD1 3.88Å
285	Q	97.5	Very high	91.2	Very high	62 Å²	62	63.4 Å²	63.4	29%	0.29	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-45	176.8	-65.1	-56	-24.3	0	0	111.5	F281 N282 F283 V287 K288 E289	F281-Q285 HydrophobicContact CD1-CG 4.08Å; F281-Q285 HydrophobicContact CE1-CG 3.64Å; F281-Q285 HydrophobicContact CE2-CG 4.22Å; F281-Q285 VanDerWaalsContact CE2-NE2 3.29Å; F281-Q285 HydrophobicContact CZ-CG 3.72Å; F281-Q285 VanDerWaalsContact CZ-NE2 3.3Å; F281-Q285 WeakPolarHBondContact O-CG 3.48Å; F281-Q285 PolarHBondContact O-N 3.14Å; N282-Q285 PolarHBondContact O-N 3.41Å; F283-Q285 PolarHBondContact O-N 3.3Å; Q285-V287 VanDerWaalsContact C-N 3.32Å; Q285-V287 PolarHBondContact O-N 3.48Å; Q285-K288 WeakPolarHBondContact O-CB 3.44Å; Q285-K288 PolarHBondContact O-N 3.22Å; Q285-K288 VanDerWaalsContact O-N 3.1Å; Q285-E289 PolarHBondContact O-N 2.97Å
286	W	96	Very high	89.2	Confident	55 Å²	55	71.6 Å²	71.6	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-41.7	176.5	176.5	74.1	0	0	0	112.2	N282 F283 K288 E289 V290 R345 I361 F364 I365	N282-W286 VanDerWaalsContact O-CB 3.31Å; N282-W286 WeakPolarHBondContact O-CB 3.49Å; N282-W286 PolarHBondContact O-N 3.47Å; F283-W286 HydrophobicContact CD2-CE3 4.17Å; F283-W286 HydrophobicContact CE2-CE3 4.28Å; F283-W286 HydrophobicContact CE2-CZ3 4.24Å; F283-W286 PolarHBondContact O-N 3.18Å; W286-K288 VanDerWaalsContact C-N 3.32Å; W286-K288 PolarHBondContact O-N 2.73Å; W286-E289 PolarHBondContact O-N 3.32Å; W286-V290 HydrophobicContact CD2-CG2 4.1Å; W286-V290 HydrophobicContact CH2-CG2 4.31Å; W286-V290 HydrophobicContact CZ2-CG2 3.71Å; W286-V290 WeakPolarHBondContact O-CG2 3.43Å; W286-V290 PolarHBondContact O-N 3.16Å; W286-R345 HydrophobicContact CH2-CG 4.22Å; W286-R345 HydrophobicContact CZ2-CG 4.31Å; W286-I361 HydrophobicContact CH2-CG2 3.76Å; W286-I361 HydrophobicContact CZ2-CG2 3.87Å; W286-F364 AromaticContact CH2-CD1 3.85Å; W286-F364 HydrophobicContact CH2-CD1 3.85Å; W286-F364 AromaticContact CH2-CE1 3.98Å; W286-F364 HydrophobicContact CH2-CE1 3.98Å; W286-F364 AromaticContact CZ3-CD1 3.98Å; W286-F364 HydrophobicContact CZ3-CD1 3.98Å; W286-F364 AromaticContact CZ3-CE1 3.79Å; W286-F364 HydrophobicContact CZ3-CE1 3.79Å; W286-I365 HydrophobicContact CH2-CD1 4.06Å; W286-I365 HydrophobicContact CH2-CG1 3.89Å; W286-I365 HydrophobicContact CZ3-CD1 3.88Å; W286-I365 HydrophobicContact CZ3-CG1 3.53Å
287	V	96.5	Very high	87.2	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-44.4	174.1	168.7	0	0	0	0	111.3	F283 L284 Q285 E289 V290 V291 I365 V383 L386	F283-V287 HydrophobicContact CD2-CG2 4.11Å; F283-V287 HydrophobicContact CE1-CG2 4.39Å; F283-V287 HydrophobicContact CE2-CG2 3.68Å; F283-V287 HydrophobicContact CZ-CG2 3.83Å; F283-V287 WeakPolarHBondContact O-CG2 3.39Å; F283-V287 PolarHBondContact O-N 3.35Å; L284-V287 PolarHBondContact O-N 3.42Å; Q285-V287 VanDerWaalsContact C-N 3.32Å; Q285-V287 PolarHBondContact O-N 3.48Å; V287-E289 VanDerWaalsContact C-N 3.33Å; V287-E289 PolarHBondContact O-N 3.29Å; V287-V290 PolarHBondContact O-N 3.48Å; V287-V291 HydrophobicContact CG1-CG2 4.23Å; V287-V291 VanDerWaalsContact O-CG2 3.3Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 2.66Å; V287-I365 HydrophobicContact CG1-CG2 4.05Å; V287-I365 HydrophobicContact CG2-CD1 4.23Å; V287-I365 HydrophobicContact CG2-CG1 4.16Å; V287-I365 HydrophobicContact CG2-CG2 3.68Å; V287-V383 HydrophobicContact CG1-CG1 4.19Å; V287-V383 HydrophobicContact CG2-CG1 4.44Å; V287-V383 HydrophobicContact CG2-CG2 4.5Å; V287-L386 HydrophobicContact CG1-CD1 4.37Å
288	K	95.6	Very high	85.3	Confident	80 Å²	80	87 Å²	87	35%	0.348	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-43	177.6	-70.2	171.8	-179.7	176.4	0	111.7	L284 Q285 W286 V291 V292 L386	L284-K288 WeakPolarHBondContact O-CG 3.48Å; L284-K288 PolarHBondContact O-N 2.97Å; L284-K288 VanDerWaalsContact O-N 3.14Å; Q285-K288 WeakPolarHBondContact O-CB 3.44Å; Q285-K288 PolarHBondContact O-N 3.22Å; Q285-K288 VanDerWaalsContact O-N 3.1Å; W286-K288 VanDerWaalsContact C-N 3.32Å; W286-K288 PolarHBondContact O-N 2.73Å; K288-V291 PolarHBondContact O-N 3.48Å; K288-V292 VanDerWaalsContact O-CG2 3.28Å; K288-V292 WeakPolarHBondContact O-CG2 3.44Å; K288-V292 PolarHBondContact O-N 3Å; K288-L386 HydrophobicContact CG-CD1 3.88Å
289	E	92.8	Very high	84	Confident	129 Å²	129	87 Å²	87	60%	0.603	42%	0.415	S	S	*	.	H	α-helix	trans	-62.7	-43.5	177.2	-68.7	173.3	-174.7	0	0	112.2	Q285 W286 V287 V292 S293	Q285-E289 PolarHBondContact O-N 2.97Å; W286-E289 PolarHBondContact O-N 3.32Å; V287-E289 VanDerWaalsContact C-N 3.33Å; V287-E289 PolarHBondContact O-N 3.29Å; E289-V292 PolarHBondContact O-N 2.66Å; E289-S293 WeakPolarHBondContact O-CB 3.44Å; E289-S293 PolarHBondContact O-N 2.85Å; E289-S293 PolarHBondContact O-OG 2.74Å
290	V	91.1	Very high	82.5	Confident	14 Å²	14	81.8 Å²	81.8	9%	0.085	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-47.2	177.1	172.4	0	0	0	0	111.1	W286 V287 V292 S293 S294 I361 L362 I365	W286-V290 HydrophobicContact CD2-CG2 4.1Å; W286-V290 HydrophobicContact CH2-CG2 4.31Å; W286-V290 HydrophobicContact CZ2-CG2 3.71Å; W286-V290 WeakPolarHBondContact O-CG2 3.43Å; W286-V290 PolarHBondContact O-N 3.16Å; V287-V290 PolarHBondContact O-N 3.48Å; V290-V292 VanDerWaalsContact C-N 3.31Å; V290-V292 PolarHBondContact O-N 3.49Å; V290-S293 WeakPolarHBondContact CA-OG 3.41Å; V290-S293 PolarHBondContact O-N 2.94Å; V290-S293 PolarHBondContact O-OG 3.32Å; V290-S294 PolarHBondContact O-N 3.09Å; V290-I361 HydrophobicContact CG1-CG2 3.72Å; V290-I361 HydrophobicContact CG2-CG2 4.2Å; V290-L362 HydrophobicContact CG1-CD2 4.27Å; V290-I365 HydrophobicContact CB-CD1 4.11Å; V290-I365 HydrophobicContact CG1-CD1 3.78Å; V290-I365 HydrophobicContact CG2-CD1 4.49Å
291	V	89.3	Confident	81.2	Confident	38 Å²	38	85.6 Å²	85.6	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-62.5	-39.2	-179.3	171.3	0	0	0	0	111.2	V287 K288 S294 L387	V287-V291 HydrophobicContact CG1-CG2 4.23Å; V287-V291 VanDerWaalsContact O-CG2 3.3Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 2.66Å; K288-V291 PolarHBondContact O-N 3.48Å; V291-S294 WeakPolarHBondContact O-CB 3.39Å; V291-S294 PolarHBondContact O-OG 2.87Å; V291-L387 HydrophobicContact CG2-CD2 4.31Å
292	V	85.8	Confident	80.2	Confident	114 Å²	114	84.1 Å²	84.1	69%	0.691	42%	0.418	S	S	*	.	H	α-helix	trans	-70	-39.5	176.4	172.4	0	0	0	0	112	K288 E289 V290 S294	K288-V292 VanDerWaalsContact O-CG2 3.28Å; K288-V292 WeakPolarHBondContact O-CG2 3.44Å; K288-V292 PolarHBondContact O-N 3Å; E289-V292 PolarHBondContact O-N 2.66Å; V290-V292 VanDerWaalsContact C-N 3.31Å; V290-V292 PolarHBondContact O-N 3.49Å; V292-S294 VanDerWaalsContact C-N 3.31Å; V292-S294 PolarHBondContact O-N 3.31Å
293	S	79.8	Confident	79.5	Confident	64 Å²	64	86.4 Å²	86.4	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-74.6	-18.3	-178.7	56.7	0	0	0	0	114.4	E289 V290 Q295 R296	E289-S293 WeakPolarHBondContact O-CB 3.44Å; E289-S293 PolarHBondContact O-N 2.85Å; E289-S293 PolarHBondContact O-OG 2.74Å; V290-S293 WeakPolarHBondContact CA-OG 3.41Å; V290-S293 PolarHBondContact O-N 2.94Å; V290-S293 PolarHBondContact O-OG 3.32Å; S293-Q295 PolarHBondContact O-N 3.06Å; S293-R296 PolarHBondContact O-N 2.94Å; S293-R296 VanDerWaalsContact O-N 3.16Å
294	S	63.3	Low	79.1	Confident	53 Å²	53	88 Å²	88	37%	0.371	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-19.5	177.7	71.6	0	0	0	0	115.3	V290 V291 V292 R296 H358	V290-S294 PolarHBondContact O-N 3.09Å; V291-S294 WeakPolarHBondContact O-CB 3.39Å; V291-S294 PolarHBondContact O-OG 2.87Å; V292-S294 VanDerWaalsContact C-N 3.31Å; V292-S294 PolarHBondContact O-N 3.31Å; S294-R296 PolarHBondContact O-N 2.95Å; S294-H358 VanDerWaalsContact CA-CE1 3.47Å; S294-H358 WeakPolarHBondContact CA-CE1 3.39Å; S294-H358 WeakPolarHBondContact CA-NE2 3.38Å; S294-H358 WeakPolarHBondContact CB-CE1 3.48Å; S294-H358 WeakPolarHBondContact CB-NE2 3.27Å
295	Q	56.1	Low	78.7	Confident	173 Å²	173	86.6 Å²	86.6	81%	0.808	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	3.7	179.1	-63	-170.3	-13.6	0	0	114.5	S293	S293-Q295 PolarHBondContact O-N 3.06Å
296	R	54.5	Low	78.5	Confident	215 Å²	215	84 Å²	84	81%	0.811	42%	0.424	S	S	*	.	S	Bend	trans	-114.6	116.6	179.6	-65.3	-174.5	-180	-176.4	0.4	110.9	S293 S294 R298	S293-R296 PolarHBondContact O-N 2.94Å; S293-R296 VanDerWaalsContact O-N 3.16Å; S294-R296 PolarHBondContact O-N 2.95Å; R296-R298 PolarHBondContact O-N 3.1Å
297	D	51.6	Low	78.4	Confident	172 Å²	172	81.4 Å²	81.4	92%	0.92	41%	0.414	S	S	*	.			trans	-60.7	49.5	-174.2	-67	-40.6	0	0	0	116.7
298	R	58.6	Low	78.3	Confident	205 Å²	205	85.8 Å²	85.8	77%	0.774	43%	0.431	S	S	*	.			trans	-120.1	76.6	174.6	-66.7	-166.2	-174.7	-174	2.3	111	R296 G300 P355	R296-R298 PolarHBondContact O-N 3.1Å; R298-G300 PolarHBondContact O-N 3.42Å; R298-P355 HydrophobicContact CB-CB 4.5Å
299	D	69.2	Low	78.3	Confident	104 Å²	104	82.2 Å²	82.2	56%	0.556	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-73.7	118.8	166.1	-100.6	-33.1	0	0	0	110.1	H358	D299-H358 WeakPolarHBondContact OD1-CA 3.45Å; D299-H358 WeakPolarHBondContact OD1-CB 3.49Å; D299-H358 PolarHBondContact OD1-N 3.1Å
300	G	66.7	Low	78.4	Confident	4 Å²	4	76.1 Å²	76.1	4%	0.041	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-61.2	158.2	167.3	0	0	0	0	0	112.9	R298 L302 P355 L356 N357	R298-G300 PolarHBondContact O-N 3.42Å; G300-L302 PolarHBondContact O-N 3.23Å; G300-P355 WeakPolarHBondContact CA-O 2.93Å; G300-L356 PolarHBondContact N-O 3.36Å; G300-L356 VanDerWaalsContact N-O 3.12Å; G300-N357 PolarHBondContact O-ND2 2.97Å
301	P	71.3	Confident	78.7	Confident	87 Å²	87	76.6 Å²	76.6	57%	0.565	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-65.2	124.4	179	26.8	-33.1	0	0	0	110.9	N303 S304	P301-N303 PolarHBondContact O-N 2.76Å; P301-S304 PolarHBondContact O-OG 3.39Å
302	L	76.4	Confident	79	Confident	80 Å²	80	75.2 Å²	75.2	42%	0.419	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.2	177.8	-144.3	141.3	0	0	0	112.3	G300 A307	G300-L302 PolarHBondContact O-N 3.23Å; L302-A307 WeakPolarHBondContact O-CB 3.49Å
303	N	81.9	Confident	79.6	Confident	133 Å²	133	71.1 Å²	71.1	71%	0.711	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.4	-177	-66.3	-11.2	0	0	0	114.2	P301 R308	P301-N303 PolarHBondContact O-N 2.76Å; N303-R308 PolarHBondContact O-NE 2.7Å; N303-R308 VanDerWaalsContact O-NE 3.17Å
304	S	88.2	Confident	80.4	Confident	35 Å²	35	68 Å²	68	25%	0.245	33%	0.332	C	S	.	.	S	Bend	trans	-62.9	149.9	176.8	67.5	0	0	0	0	110.9	P301 A306 A307 R308	P301-S304 PolarHBondContact O-OG 3.39Å; S304-A306 VanDerWaalsContact C-N 3.26Å; S304-A306 PolarHBondContact O-N 2.79Å; S304-A307 PolarHBondContact O-N 3.09Å; S304-A307 VanDerWaalsContact O-N 3.11Å; S304-A307 VanDerWaalsContact OG-CB 3.3Å; S304-A307 WeakPolarHBondContact OG-CB 3.18Å; S304-A307 PolarHBondContact OG-N 3.37Å; S304-R308 WeakPolarHBondContact O-CG 3.48Å; S304-R308 PolarHBondContact O-N 2.86Å
305	F	91.4	Very high	82.1	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.009	32%	0.316	C	S	.	.	H	α-helix	trans	-48.9	-48.7	174	-177.8	-108.6	0	0	0	112.3	A307 R308 V309 W351 L408 Q411 L415 L528 E531 N532	F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 3.39Å; F305-R308 PolarHBondContact O-N 3.44Å; F305-V309 HydrophobicContact CD1-CG2 4.15Å; F305-V309 HydrophobicContact CD2-CG2 4.18Å; F305-V309 HydrophobicContact CE1-CG2 3.73Å; F305-V309 HydrophobicContact CE2-CG2 3.71Å; F305-V309 HydrophobicContact CG-CG2 4.36Å; F305-V309 HydrophobicContact CZ-CG2 3.47Å; F305-V309 VanDerWaalsContact CZ-CG2 3.47Å; F305-V309 WeakPolarHBondContact O-CB 3.36Å; F305-V309 WeakPolarHBondContact O-CG2 3.33Å; F305-V309 PolarHBondContact O-N 3.32Å; F305-W351 HydrophobicContact CD1-CE3 4.38Å; F305-W351 HydrophobicContact CD1-CZ3 4.26Å; F305-W351 HydrophobicContact CE1-CE3 4.23Å; F305-W351 AromaticContact CE1-CZ3 3.67Å; F305-W351 HydrophobicContact CE1-CZ3 3.67Å; F305-L408 HydrophobicContact CD2-CD2 4.5Å; F305-L408 HydrophobicContact CE2-CD2 4.12Å; F305-Q411 HydrophobicContact CE2-CB 3.84Å; F305-Q411 HydrophobicContact CZ-CB 3.79Å; F305-L415 HydrophobicContact CD1-CD2 4.17Å; F305-L415 HydrophobicContact CE1-CD2 3.73Å; F305-L528 HydrophobicContact CD1-CD1 4.27Å; F305-L528 HydrophobicContact CD2-CD1 3.67Å; F305-L528 HydrophobicContact CE1-CD1 3.93Å; F305-L528 HydrophobicContact CE2-CD1 3.32Å; F305-L528 HydrophobicContact CG-CD1 4.14Å; F305-L528 HydrophobicContact CZ-CD1 3.47Å; F305-L528 VanDerWaalsContact CZ-CD1 3.47Å; F305-E531 HydrophobicContact CB-CG 4.23Å; F305-E531 WeakPolarHBondContact CB-OE1 3.14Å; F305-E531 PolarHBondContact N-OE1 3.02Å; F305-N532 VanDerWaalsContact CD1-ND2 3.27Å; F305-N532 WeakPolarHBondContact CD1-ND2 3.45Å; F305-N532 VanDerWaalsContact CD1-OD1 3.3Å; F305-N532 WeakPolarHBondContact CD1-OD1 3.49Å
306	A	92.6	Very high	84	Confident	7 Å²	7	60.3 Å²	60.3	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-42	179.4	0	0	0	0	0	112.7	S304 F310 Y348 W351	S304-A306 VanDerWaalsContact C-N 3.26Å; S304-A306 PolarHBondContact O-N 2.79Å; A306-F310 WeakPolarHBondContact O-CB 3.41Å; A306-F310 PolarHBondContact O-N 3.25Å; A306-Y348 HydrophobicContact CB-CD2 3.98Å; A306-Y348 HydrophobicContact CB-CE2 4.17Å; A306-Y348 WeakPolarHBondContact O-CD2 3.46Å; A306-W351 HydrophobicContact CB-CB 3.88Å
307	A	93.2	Very high	86.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-41.4	177.9	0	0	0	0	0	112.1	L302 S304 F305 F310 D311 Y348 L360	L302-A307 WeakPolarHBondContact O-CB 3.49Å; S304-A307 PolarHBondContact O-N 3.09Å; S304-A307 VanDerWaalsContact O-N 3.11Å; S304-A307 VanDerWaalsContact OG-CB 3.3Å; S304-A307 WeakPolarHBondContact OG-CB 3.18Å; S304-A307 PolarHBondContact OG-N 3.37Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 3.39Å; A307-F310 PolarHBondContact O-N 3.42Å; A307-D311 WeakPolarHBondContact O-CB 3.41Å; A307-D311 PolarHBondContact O-N 2.96Å; A307-Y348 HydrophobicContact CB-CE2 3.97Å; A307-L360 HydrophobicContact CB-CD2 4.03Å
308	R	94.5	Very high	88.3	Confident	92 Å²	92	42.5 Å²	42.5	35%	0.347	21%	0.209	S	C	.	.	H	α-helix	trans	-62.6	-45.5	176.5	-70.4	-176.2	-72.1	151.7	-0.4	111.7	N303 S304 F305 N312 L408 E531	N303-R308 PolarHBondContact O-NE 2.7Å; N303-R308 VanDerWaalsContact O-NE 3.17Å; S304-R308 WeakPolarHBondContact O-CG 3.48Å; S304-R308 PolarHBondContact O-N 2.86Å; F305-R308 PolarHBondContact O-N 3.44Å; R308-N312 WeakPolarHBondContact O-CB 3.37Å; R308-N312 PolarHBondContact O-N 3.48Å; R308-L408 HydrophobicContact CB-CD1 4.17Å; R308-L408 HydrophobicContact CB-CD2 4.32Å; R308-E531 IonicContact CZ-OE1 3.1Å; R308-E531 IonicContact NH2-OE1 2.8Å; R308-E531 PolarHBondContact NH2-OE1 2.91Å; R308-E531 IonicContact NH2-OE2 2.86Å; R308-E531 PolarHBondContact NH2-OE2 3.27Å
309	V	95.6	Very high	90.2	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-48.8	175.2	168.8	0	0	0	0	110.4	F305 N312 E313 L408 C412	F305-V309 HydrophobicContact CD1-CG2 4.15Å; F305-V309 HydrophobicContact CD2-CG2 4.18Å; F305-V309 HydrophobicContact CE1-CG2 3.73Å; F305-V309 HydrophobicContact CE2-CG2 3.71Å; F305-V309 HydrophobicContact CG-CG2 4.36Å; F305-V309 HydrophobicContact CZ-CG2 3.47Å; F305-V309 VanDerWaalsContact CZ-CG2 3.47Å; F305-V309 WeakPolarHBondContact O-CB 3.36Å; F305-V309 WeakPolarHBondContact O-CG2 3.33Å; F305-V309 PolarHBondContact O-N 3.32Å; V309-N312 WeakPolarHBondContact O-CB 3.48Å; V309-N312 PolarHBondContact O-N 3.4Å; V309-E313 HydrophobicContact CG1-CG 4.44Å; V309-E313 WeakPolarHBondContact O-CG 3.44Å; V309-E313 PolarHBondContact O-N 3.39Å; V309-L408 HydrophobicContact CG2-CD2 4.25Å; V309-C412 HydrophobicContact CG1-CB 3.81Å; V309-C412 HydrophobicContact CG2-CB 4.26Å
310	F	96.2	Very high	91.6	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-42.9	-177.8	-175.5	-129.1	0	0	0	112.9	A306 A307 N312 E313 I314 A344 R345 Y348 L360 I361 F364	A306-F310 WeakPolarHBondContact O-CB 3.41Å; A306-F310 PolarHBondContact O-N 3.25Å; A307-F310 PolarHBondContact O-N 3.42Å; F310-N312 VanDerWaalsContact C-N 3.26Å; F310-N312 PolarHBondContact O-N 3.22Å; F310-E313 PolarHBondContact O-N 2.97Å; F310-I314 HydrophobicContact CD1-CD1 4.28Å; F310-I314 HydrophobicContact CE1-CD1 4.01Å; F310-I314 HydrophobicContact CE2-CG1 4.37Å; F310-I314 HydrophobicContact CZ-CD1 4.16Å; F310-I314 HydrophobicContact CZ-CG1 4.41Å; F310-I314 WeakPolarHBondContact O-CG1 3.21Å; F310-I314 PolarHBondContact O-N 3.41Å; F310-A344 HydrophobicContact CD2-CB 4.22Å; F310-A344 HydrophobicContact CE2-CB 4.14Å; F310-R345 VanDerWaalsContact CE2-CA 3.48Å; F310-R345 HydrophobicContact CE2-CB 4.05Å; F310-R345 HydrophobicContact CZ-CB 4Å; F310-R345 HydrophobicContact CZ-CG 4.44Å; F310-Y348 HydrophobicContact CB-CD1 4.41Å; F310-Y348 HydrophobicContact CB-CD2 3.87Å; F310-Y348 HydrophobicContact CB-CG 3.77Å; F310-Y348 AromaticContact CD1-CD1 3.33Å; F310-Y348 HydrophobicContact CD1-CD1 3.33Å; F310-Y348 HydrophobicContact CD1-CD2 4.27Å; F310-Y348 AromaticContact CD1-CE1 3.89Å; F310-Y348 HydrophobicContact CD1-CE1 3.89Å; F310-Y348 AromaticContact CD1-CG 3.57Å; F310-Y348 HydrophobicContact CD1-CG 3.57Å; F310-Y348 HydrophobicContact CD2-CG 4.41Å; F310-Y348 AromaticContact CE1-CD1 3.68Å; F310-Y348 HydrophobicContact CE1-CD1 3.68Å; F310-Y348 HydrophobicContact CE1-CE1 4.28Å; F310-Y348 HydrophobicContact CE1-CG 4.25Å; F310-Y348 AromaticContact CG-CD1 3.94Å; F310-Y348 HydrophobicContact CG-CD1 3.94Å; F310-Y348 HydrophobicContact CG-CD2 4.27Å; F310-Y348 AromaticContact CG-CG 3.67Å; F310-Y348 HydrophobicContact CG-CG 3.67Å; F310-Y348 HydrophobicContact CZ-CD1 4.5Å; F310-L360 HydrophobicContact CB-CD2 4.43Å; F310-L360 HydrophobicContact CD1-CD1 4.41Å; F310-L360 HydrophobicContact CD1-CD2 3.71Å; F310-L360 HydrophobicContact CD1-CG 3.73Å; F310-L360 HydrophobicContact CE1-CG 4.13Å; F310-I361 HydrophobicContact CE1-CD1 4.26Å; F310-F364 HydrophobicContact CE1-CB 4Å; F310-F364 HydrophobicContact CE1-CG 4.42Å; F310-F364 AromaticContact CE2-CD2 3.98Å; F310-F364 HydrophobicContact CE2-CD2 3.98Å; F310-F364 HydrophobicContact CZ-CB 3.7Å; F310-F364 AromaticContact CZ-CD2 3.51Å; F310-F364 HydrophobicContact CZ-CD2 3.51Å; F310-F364 HydrophobicContact CZ-CE2 4.32Å; F310-F364 AromaticContact CZ-CG 3.66Å; F310-F364 HydrophobicContact CZ-CG 3.66Å
311	D	95.9	Very high	93.1	Very high	25 Å²	25	35.9 Å²	35.9	13%	0.134	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-38	175.2	-169.7	74.7	0	0	0	111.8	A307 I314 N315 L360 R363 R402	A307-D311 WeakPolarHBondContact O-CB 3.41Å; A307-D311 PolarHBondContact O-N 2.96Å; D311-I314 PolarHBondContact O-N 3.14Å; D311-N315 PolarHBondContact O-N 2.83Å; D311-N315 PolarHBondContact O-ND2 3.41Å; D311-L360 HydrophobicContact CB-CD1 3.79Å; D311-L360 HydrophobicContact CB-CD2 4.42Å; D311-L360 VanDerWaalsContact OD1-CD1 3.25Å; D311-L360 WeakPolarHBondContact OD1-CD1 3.41Å; D311-R363 VanDerWaalsContact CG-NH1 3.26Å; D311-R363 IonicContact OD1-CZ 3.95Å; D311-R363 IonicContact OD1-NH1 2.73Å; D311-R363 PolarHBondContact OD1-NH1 3.36Å; D311-R363 IonicContact OD2-NH1 2.86Å; D311-R363 PolarHBondContact OD2-NH1 3.16Å; D311-R402 IonicContact OD1-CZ 2.7Å; D311-R402 IonicContact OD1-NH1 2.84Å; D311-R402 PolarHBondContact OD1-NH1 3.13Å; D311-R402 IonicContact OD1-NH2 3.88Å; D311-R402 PolarHBondContact OD1-NH2 2.92Å; D311-R402 IonicContact OD2-CZ 3.76Å; D311-R402 IonicContact OD2-NH1 3.17Å; D311-R402 PolarHBondContact OD2-NH1 2.97Å; D311-R402 IonicContact OD2-NH2 3.83Å
312	N	96.8	Very high	94.4	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-42.4	174.9	-169.2	47.3	0	0	0	112.5	R308 V309 F310 I314 N315 R316 V404 D405 L408	R308-N312 WeakPolarHBondContact O-CB 3.37Å; R308-N312 PolarHBondContact O-N 3.48Å; V309-N312 WeakPolarHBondContact O-CB 3.48Å; V309-N312 PolarHBondContact O-N 3.4Å; F310-N312 VanDerWaalsContact C-N 3.26Å; F310-N312 PolarHBondContact O-N 3.22Å; N312-I314 VanDerWaalsContact C-N 3.31Å; N312-I314 PolarHBondContact O-N 2.95Å; N312-N315 PolarHBondContact O-N 2.91Å; N312-N315 VanDerWaalsContact O-N 3.14Å; N312-R316 PolarHBondContact O-N 3.45Å; N312-V404 WeakPolarHBondContact OD1-CA 3.42Å; N312-D405 PolarHBondContact ND2-O 2.76Å; N312-D405 PolarHBondContact OD1-N 3.32Å; N312-L408 HydrophobicContact CB-CD1 4.08Å
313	E	97	Very high	95.4	Very high	28 Å²	28	35.5 Å²	35.5	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-34.9	175.7	-73.7	-166	128.6	0	0	112.7	V309 F310 N315 R316 S317 A344 R347	V309-E313 HydrophobicContact CG1-CG 4.44Å; V309-E313 WeakPolarHBondContact O-CG 3.44Å; V309-E313 PolarHBondContact O-N 3.39Å; F310-E313 PolarHBondContact O-N 2.97Å; E313-N315 VanDerWaalsContact C-N 3.35Å; E313-N315 PolarHBondContact O-N 2.65Å; E313-R316 PolarHBondContact O-N 3.08Å; E313-S317 WeakPolarHBondContact O-CB 3.48Å; E313-S317 PolarHBondContact O-N 3.43Å; E313-S317 PolarHBondContact O-OG 3.16Å; E313-A344 HydrophobicContact CB-CB 4.27Å; E313-A344 VanDerWaalsContact OE2-CB 3.24Å; E313-A344 WeakPolarHBondContact OE2-CB 3.25Å; E313-R347 IonicContact OE1-CZ 3.91Å; E313-R347 IonicContact OE1-NH1 3.66Å; E313-R347 PolarHBondContact OE1-NH1 2.95Å; E313-R347 IonicContact OE2-NH1 3.84Å; E313-R347 PolarHBondContact OE2-NH1 2.86Å
314	I	98.1	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.6	-48.9	170.4	-66.7	167.5	0	0	0	111.1	F310 D311 N312 S317 I318 F341 L360 F364 V367	F310-I314 HydrophobicContact CD1-CD1 4.28Å; F310-I314 HydrophobicContact CE1-CD1 4.01Å; F310-I314 HydrophobicContact CE2-CG1 4.37Å; F310-I314 HydrophobicContact CZ-CD1 4.16Å; F310-I314 HydrophobicContact CZ-CG1 4.41Å; F310-I314 WeakPolarHBondContact O-CG1 3.21Å; F310-I314 PolarHBondContact O-N 3.41Å; D311-I314 PolarHBondContact O-N 3.14Å; N312-I314 VanDerWaalsContact C-N 3.31Å; N312-I314 PolarHBondContact O-N 2.95Å; I314-S317 PolarHBondContact O-N 3.04Å; I314-I318 HydrophobicContact CG2-CD1 4.06Å; I314-I318 VanDerWaalsContact O-CG1 3.27Å; I314-I318 WeakPolarHBondContact O-CG1 3.38Å; I314-I318 PolarHBondContact O-N 3.25Å; I314-I318 VanDerWaalsContact O-N 3.08Å; I314-F341 HydrophobicContact CB-CE2 4.12Å; I314-F341 HydrophobicContact CB-CZ 4.25Å; I314-F341 HydrophobicContact CG1-CE2 3.69Å; I314-F341 HydrophobicContact CG1-CZ 3.85Å; I314-F341 HydrophobicContact CG2-CE2 4.45Å; I314-F341 HydrophobicContact CG2-CZ 4.12Å; I314-L360 HydrophobicContact CD1-CD1 3.84Å; I314-F364 HydrophobicContact CD1-CB 4.04Å; I314-V367 HydrophobicContact CG2-CB 4.3Å; I314-V367 HydrophobicContact CG2-CG1 4.15Å; I314-V367 HydrophobicContact CG2-CG2 4.02Å
315	N	98	Very high	96.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-42.3	178.6	-62.4	-55.8	0	0	0	111.5	D311 N312 E313 S317 I318 E319 R363 C401 R402 V404	D311-N315 PolarHBondContact O-N 2.83Å; D311-N315 PolarHBondContact O-ND2 3.41Å; N312-N315 PolarHBondContact O-N 2.91Å; N312-N315 VanDerWaalsContact O-N 3.14Å; E313-N315 VanDerWaalsContact C-N 3.35Å; E313-N315 PolarHBondContact O-N 2.65Å; N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 2.81Å; N315-I318 WeakPolarHBondContact O-CB 3.44Å; N315-I318 PolarHBondContact O-N 3.46Å; N315-E319 PolarHBondContact O-N 2.95Å; N315-R363 PolarHBondContact OD1-NH2 3.08Å; N315-C401 PolarHBondContact O-SG 3.46Å; N315-R402 WeakPolarHBondContact OD1-CB 3.38Å; N315-R402 PolarHBondContact OD1-N 2.91Å; N315-R402 VanDerWaalsContact OD1-N 3.14Å; N315-V404 HydrophobicContact CB-CG2 4.22Å
316	R	97.3	Very high	96.8	Very high	60 Å²	60	36 Å²	36	23%	0.226	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-42	177.8	-167.9	-169.5	-173.2	-175.2	4	112.5	N312 E313 E319 R320 V404 I409	N312-R316 PolarHBondContact O-N 3.45Å; E313-R316 PolarHBondContact O-N 3.08Å; R316-E319 PolarHBondContact O-N 3.33Å; R316-R320 WeakPolarHBondContact O-CB 2.96Å; R316-R320 WeakPolarHBondContact O-CG 3.37Å; R316-R320 PolarHBondContact O-N 3.43Å; R316-V404 HydrophobicContact CB-CG1 4.07Å; R316-V404 HydrophobicContact CB-CG2 4.17Å; R316-V404 HydrophobicContact CG-CG1 4.22Å; R316-I409 HydrophobicContact CG-CD1 4.38Å
317	S	98.1	Very high	96.9	Very high	11 Å²	11	37.6 Å²	37.6	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-39.3	175.5	-73.1	0	0	0	0	111.6	E313 I314 N315 C321 F341	E313-S317 WeakPolarHBondContact O-CB 3.48Å; E313-S317 PolarHBondContact O-N 3.43Å; E313-S317 PolarHBondContact O-OG 3.16Å; I314-S317 PolarHBondContact O-N 3.04Å; N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 2.81Å; S317-C321 WeakPolarHBondContact O-CB 3.46Å; S317-C321 PolarHBondContact O-N 2.89Å; S317-C321 PolarHBondContact O-SG 3.47Å; S317-C321 VanDerWaalsContact O-SG 3.32Å; S317-F341 WeakPolarHBondContact OG-CD2 3.47Å
318	I	98.5	Very high	97	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-52.7	174.1	-66.5	162.1	0	0	0	110.4	I314 N315 R320 C321 T322 V367 L371 P399 C401	I314-I318 HydrophobicContact CG2-CD1 4.06Å; I314-I318 VanDerWaalsContact O-CG1 3.27Å; I314-I318 WeakPolarHBondContact O-CG1 3.38Å; I314-I318 PolarHBondContact O-N 3.25Å; I314-I318 VanDerWaalsContact O-N 3.08Å; N315-I318 WeakPolarHBondContact O-CB 3.44Å; N315-I318 PolarHBondContact O-N 3.46Å; I318-R320 PolarHBondContact O-N 3.26Å; I318-C321 PolarHBondContact O-N 3.22Å; I318-T322 WeakPolarHBondContact O-CB 3.16Å; I318-T322 PolarHBondContact O-N 3.17Å; I318-T322 PolarHBondContact O-OG1 3.5Å; I318-V367 HydrophobicContact CD1-CG1 3.77Å; I318-V367 HydrophobicContact CD1-CG2 4.05Å; I318-V367 HydrophobicContact CG1-CG1 3.54Å; I318-L371 HydrophobicContact CG1-CD2 4.5Å; I318-P399 HydrophobicContact CD1-CB 4Å; I318-P399 HydrophobicContact CD1-CG 4.37Å; I318-P399 HydrophobicContact CG1-CB 4.22Å; I318-P399 HydrophobicContact CG1-CG 4.03Å; I318-P399 HydrophobicContact CG2-CB 4.49Å; I318-P399 HydrophobicContact CG2-CG 4.09Å; I318-P399 WeakPolarHBondContact CG2-O 3.27Å; I318-C401 HydrophobicContact CB-CB 4.42Å; I318-C401 HydrophobicContact CG2-CB 3.81Å
319	E	97.9	Very high	97.1	Very high	80 Å²	80	38.7 Å²	38.7	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-56.2	-51.9	-179.1	-178	-179.1	-120	0	0	111.4	N315 R316 T322 Q323	N315-E319 PolarHBondContact O-N 2.95Å; R316-E319 PolarHBondContact O-N 3.33Å; E319-T322 WeakPolarHBondContact O-CB 3.36Å; E319-T322 PolarHBondContact O-N 3.32Å; E319-Q323 WeakPolarHBondContact O-CG 3.38Å; E319-Q323 PolarHBondContact O-N 3.13Å
320	R	97.9	Very high	97.2	Very high	95 Å²	95	41.4 Å²	41.4	36%	0.358	20%	0.202	S	C	.	.	H	α-helix	trans	-63.4	-46.9	180	-76	179.4	151.8	-177.3	-9.6	112.5	R316 I318 T322 Q323 L324 T336	R316-R320 WeakPolarHBondContact O-CB 2.96Å; R316-R320 WeakPolarHBondContact O-CG 3.37Å; R316-R320 PolarHBondContact O-N 3.43Å; I318-R320 PolarHBondContact O-N 3.26Å; R320-T322 VanDerWaalsContact C-N 3.25Å; R320-T322 PolarHBondContact O-N 3.32Å; R320-Q323 PolarHBondContact O-N 3.47Å; R320-L324 WeakPolarHBondContact O-CB 3.36Å; R320-L324 WeakPolarHBondContact O-CD1 3.43Å; R320-L324 WeakPolarHBondContact O-CG 3.41Å; R320-L324 PolarHBondContact O-N 3.28Å; R320-T336 HydrophobicContact CB-CG2 3.77Å
321	C	98.3	Very high	97.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-36.6	177.8	-77.2	0	0	0	0	112.1	S317 I318 L324 Y325 G337 L371 W398	S317-C321 WeakPolarHBondContact O-CB 3.46Å; S317-C321 PolarHBondContact O-N 2.89Å; S317-C321 PolarHBondContact O-SG 3.47Å; S317-C321 VanDerWaalsContact O-SG 3.32Å; I318-C321 PolarHBondContact O-N 3.22Å; C321-L324 PolarHBondContact O-N 2.93Å; C321-Y325 HydrophobicContact CB-CD2 4.37Å; C321-Y325 HydrophobicContact CB-CE2 4.42Å; C321-Y325 WeakPolarHBondContact O-CB 3.32Å; C321-Y325 WeakPolarHBondContact O-CD2 3.28Å; C321-Y325 PolarHBondContact O-N 3.23Å; C321-G337 WeakPolarHBondContact SG-CA 3.49Å; C321-G337 PolarHBondContact SG-N 2.99Å; C321-G337 VanDerWaalsContact SG-N 3.35Å; C321-L371 HydrophobicContact CB-CD1 4.48Å; C321-L371 HydrophobicContact CB-CD2 3.89Å; C321-W398 HydrophobicContact CB-CZ2 4.31Å
322	T	97.9	Very high	97.3	Very high	42 Å²	42	47.2 Å²	47.2	26%	0.258	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-52.2	175.3	-50	0	0	0	0	110.2	I318 E319 R320 L324 Y325 D326 W398	I318-T322 WeakPolarHBondContact O-CB 3.16Å; I318-T322 PolarHBondContact O-N 3.17Å; I318-T322 PolarHBondContact O-OG1 3.5Å; E319-T322 WeakPolarHBondContact O-CB 3.36Å; E319-T322 PolarHBondContact O-N 3.32Å; R320-T322 VanDerWaalsContact C-N 3.25Å; R320-T322 PolarHBondContact O-N 3.32Å; T322-L324 VanDerWaalsContact C-N 3.32Å; T322-L324 PolarHBondContact O-N 3.48Å; T322-Y325 PolarHBondContact O-N 3.43Å; T322-D326 WeakPolarHBondContact O-CB 3.49Å; T322-D326 VanDerWaalsContact O-CG 3.31Å; T322-D326 PolarHBondContact O-N 3.22Å; T322-W398 PolarHBondContact OG1-NE1 2.88Å
323	Q	97.6	Very high	97.4	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-40.7	178.4	-65.4	167.8	3.5	0	0	112.4	E319 R320 D326 A327	E319-Q323 WeakPolarHBondContact O-CG 3.38Å; E319-Q323 PolarHBondContact O-N 3.13Å; R320-Q323 PolarHBondContact O-N 3.47Å; Q323-D326 PolarHBondContact O-N 3.1Å; Q323-A327 VanDerWaalsContact O-CB 3.3Å; Q323-A327 WeakPolarHBondContact O-CB 3.47Å; Q323-A327 PolarHBondContact O-N 2.94Å
324	L	97.9	Very high	97.4	Very high	24 Å²	24	45.6 Å²	45.6	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-70.1	-39.8	-178.9	-67.2	166.9	0	0	0	112.3	R320 C321 T322 A327 M328 Q329 E332 A333 T336	R320-L324 WeakPolarHBondContact O-CB 3.36Å; R320-L324 WeakPolarHBondContact O-CD1 3.43Å; R320-L324 WeakPolarHBondContact O-CG 3.41Å; R320-L324 PolarHBondContact O-N 3.28Å; C321-L324 PolarHBondContact O-N 2.93Å; T322-L324 VanDerWaalsContact C-N 3.32Å; T322-L324 PolarHBondContact O-N 3.48Å; L324-A327 CarbonylContact O-C 3.54Å; L324-A327 PolarHBondContact O-N 2.92Å; L324-M328 PolarHBondContact O-N 2.68Å; L324-M328 VanDerWaalsContact O-N 3.14Å; L324-Q329 HydrophobicContact CB-CB 4.5Å; L324-Q329 HydrophobicContact CD2-CB 4.04Å; L324-Q329 VanDerWaalsContact CD2-OE1 3.24Å; L324-Q329 PolarHBondContact O-N 3.26Å; L324-E332 HydrophobicContact CD1-CB 4.08Å; L324-E332 HydrophobicContact CD2-CB 3.74Å; L324-E332 HydrophobicContact CG-CB 4.47Å; L324-A333 HydrophobicContact CB-CB 3.97Å; L324-T336 WeakPolarHBondContact CD1-OG1 3.3Å
325	Y	97.6	Very high	97.4	Very high	36 Å²	36	49.6 Å²	49.6	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-41.3	174.1	-81.1	-61	0	0	0	111.7	C321 T322 A327 M328 F330 A333 L371 P374 I375 W398	C321-Y325 HydrophobicContact CB-CD2 4.37Å; C321-Y325 HydrophobicContact CB-CE2 4.42Å; C321-Y325 WeakPolarHBondContact O-CB 3.32Å; C321-Y325 WeakPolarHBondContact O-CD2 3.28Å; C321-Y325 PolarHBondContact O-N 3.23Å; T322-Y325 PolarHBondContact O-N 3.43Å; Y325-A327 VanDerWaalsContact C-N 3.25Å; Y325-A327 PolarHBondContact O-N 3.42Å; Y325-M328 PolarHBondContact O-N 2.88Å; Y325-M328 VanDerWaalsContact O-N 3.08Å; Y325-F330 AromaticContact CD1-CD1 3.94Å; Y325-F330 HydrophobicContact CD1-CD1 3.94Å; Y325-F330 HydrophobicContact CD1-CE1 4.02Å; Y325-F330 AromaticContact CE1-CD1 3.96Å; Y325-F330 HydrophobicContact CE1-CD1 3.96Å; Y325-F330 HydrophobicContact CE1-CE1 4.36Å; Y325-A333 HydrophobicContact CD1-CB 4.29Å; Y325-A333 HydrophobicContact CD2-CB 4.34Å; Y325-A333 HydrophobicContact CE1-CB 4.06Å; Y325-A333 HydrophobicContact CE2-CB 4.1Å; Y325-A333 HydrophobicContact CG-CB 4.43Å; Y325-L371 PolarHBondContact OH-O 2.7Å; Y325-P374 HydrophobicContact CE1-CB 4.15Å; Y325-P374 HydrophobicContact CE1-CG 4.24Å; Y325-I375 HydrophobicContact CE1-CD1 4.35Å; Y325-W398 AromaticContact CD2-CH2 3.52Å; Y325-W398 HydrophobicContact CD2-CH2 3.52Å; Y325-W398 HydrophobicContact CD2-CZ2 4.03Å; Y325-W398 HydrophobicContact CD2-CZ3 4.4Å; Y325-W398 AromaticContact CE2-CH2 3.58Å; Y325-W398 HydrophobicContact CE2-CH2 3.58Å; Y325-W398 HydrophobicContact CE2-CZ2 4.4Å; Y325-W398 HydrophobicContact CE2-CZ3 4.41Å
326	D	95.4	Very high	97.4	Very high	121 Å²	121	49.7 Å²	49.7	65%	0.647	24%	0.238	S	C	*	.	H	α-helix	trans	-61.5	-35.5	175	-72.2	-20.4	0	0	0	111.9	T322 Q323 M328	T322-D326 WeakPolarHBondContact O-CB 3.49Å; T322-D326 VanDerWaalsContact O-CG 3.31Å; T322-D326 PolarHBondContact O-N 3.22Å; Q323-D326 PolarHBondContact O-N 3.1Å; D326-M328 VanDerWaalsContact C-N 3.32Å
327	A	95.2	Very high	97.4	Very high	41 Å²	41	47 Å²	47	34%	0.339	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.4	176.4	0	0	0	0	0	114.5	Q323 L324 Y325 Q329	Q323-A327 VanDerWaalsContact O-CB 3.3Å; Q323-A327 WeakPolarHBondContact O-CB 3.47Å; Q323-A327 PolarHBondContact O-N 2.94Å; L324-A327 CarbonylContact O-C 3.54Å; L324-A327 PolarHBondContact O-N 2.92Å; Y325-A327 VanDerWaalsContact C-N 3.25Å; Y325-A327 PolarHBondContact O-N 3.42Å; A327-Q329 VanDerWaalsContact C-N 3.28Å; A327-Q329 HydrophobicContact CB-CG 4.12Å; A327-Q329 PolarHBondContact O-N 3.07Å
328	M	95.8	Very high	97.4	Very high	26 Å²	26	46.5 Å²	46.5	13%	0.128	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35	-175.3	-56.4	-172.1	178.4	0	0	114.4	Y64 L183 W218 L324 Y325 D326 F330	Y64-M328 HydrophobicContact CD1-CB 4.48Å; Y64-M328 HydrophobicContact CD1-CG 4.27Å; Y64-M328 HydrophobicContact CD1-SD 4.34Å; Y64-M328 HydrophobicContact CD2-SD 4.32Å; Y64-M328 HydrophobicContact CE1-CE 4.02Å; Y64-M328 HydrophobicContact CE1-CG 3.91Å; Y64-M328 HydrophobicContact CE1-SD 3.89Å; Y64-M328 HydrophobicContact CE2-CE 4.11Å; Y64-M328 HydrophobicContact CE2-SD 3.86Å; Y64-M328 WeakPolarHBondContact OH-CE 3.31Å; L183-M328 HydrophobicContact CD1-CE 3.67Å; L183-M328 HydrophobicContact CD1-SD 3.92Å; L183-M328 HydrophobicContact CD2-CE 3.35Å; L183-M328 HydrophobicContact CD2-SD 4Å; L183-M328 HydrophobicContact CG-CE 4.04Å; W218-M328 HydrophobicContact CB-SD 3.94Å; W218-M328 HydrophobicContact CG-SD 3.86Å; L324-M328 PolarHBondContact O-N 2.68Å; L324-M328 VanDerWaalsContact O-N 3.14Å; Y325-M328 PolarHBondContact O-N 2.88Å; Y325-M328 VanDerWaalsContact O-N 3.08Å; D326-M328 VanDerWaalsContact C-N 3.32Å; M328-F330 HydrophobicContact CB-CE2 4.05Å; M328-F330 HydrophobicContact CB-CZ 4.17Å; M328-F330 HydrophobicContact CG-CZ 4.4Å; M328-F330 PolarHBondContact O-N 3.21Å
329	Q	96.5	Very high	97.3	Very high	89 Å²	89	48.4 Å²	48.4	42%	0.416	23%	0.233	S	C	.	.			trans	-99.2	69.2	176.9	-64.6	-175.7	-34.4	0	0	110.6	D261 L324 A327 K331 E332 A333	D261-Q329 VanDerWaalsContact OD2-CA 3.29Å; D261-Q329 WeakPolarHBondContact OD2-CA 3.15Å; L324-Q329 HydrophobicContact CB-CB 4.5Å; L324-Q329 HydrophobicContact CD2-CB 4.04Å; L324-Q329 VanDerWaalsContact CD2-OE1 3.24Å; L324-Q329 PolarHBondContact O-N 3.26Å; A327-Q329 VanDerWaalsContact C-N 3.28Å; A327-Q329 HydrophobicContact CB-CG 4.12Å; A327-Q329 PolarHBondContact O-N 3.07Å; Q329-K331 PolarHBondContact O-N 3.16Å; Q329-E332 HydrophobicContact CB-CB 4.47Å; Q329-E332 PolarHBondContact O-N 2.92Å; Q329-A333 WeakPolarHBondContact O-CB 3.29Å; Q329-A333 PolarHBondContact O-N 3.26Å
330	F	97.6	Very high	97.2	Very high	62 Å²	62	48.1 Å²	48.1	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-34.7	-173.7	-55.8	-67.8	0	0	0	114.4	A257 D261 Y325 M328 A333 V334 I375	A257-F330 HydrophobicContact CB-CB 4.39Å; A257-F330 CarbonylContact O-C 3.43Å; D261-F330 VanDerWaalsContact CG-N 3.29Å; D261-F330 PolarHBondContact OD1-N 3.38Å; D261-F330 PolarHBondContact OD2-N 3.02Å; Y325-F330 AromaticContact CD1-CD1 3.94Å; Y325-F330 HydrophobicContact CD1-CD1 3.94Å; Y325-F330 HydrophobicContact CD1-CE1 4.02Å; Y325-F330 AromaticContact CE1-CD1 3.96Å; Y325-F330 HydrophobicContact CE1-CD1 3.96Å; Y325-F330 HydrophobicContact CE1-CE1 4.36Å; M328-F330 HydrophobicContact CB-CE2 4.05Å; M328-F330 HydrophobicContact CB-CZ 4.17Å; M328-F330 HydrophobicContact CG-CZ 4.4Å; M328-F330 PolarHBondContact O-N 3.21Å; F330-A333 PolarHBondContact O-N 3.03Å; F330-V334 WeakPolarHBondContact O-CG2 3.33Å; F330-V334 PolarHBondContact O-N 3.01Å; F330-I375 HydrophobicContact CD1-CD1 4.49Å
331	K	97.5	Very high	97.2	Very high	77 Å²	77	43.6 Å²	43.6	34%	0.335	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-51.6	174.9	179.9	173.6	-171	150.1	0	111.5	A257 D258 D261 Q329 A333 V334 K335	A257-K331 WeakPolarHBondContact O-CA 3.27Å; A257-K331 WeakPolarHBondContact O-CB 3.37Å; A257-K331 PolarHBondContact O-N 3.24Å; A257-K331 VanDerWaalsContact O-N 3.13Å; D258-K331 WeakPolarHBondContact O-CD 3.35Å; D258-K331 WeakPolarHBondContact O-CE 3.38Å; D258-K331 PolarHBondContact O-NZ 2.98Å; D258-K331 VanDerWaalsContact O-NZ 3.16Å; D261-K331 VanDerWaalsContact CG-N 3.34Å; D261-K331 PolarHBondContact OD1-N 2.85Å; D261-K331 WeakPolarHBondContact OD2-CA 3.28Å; D261-K331 WeakPolarHBondContact OD2-CB 3.46Å; D261-K331 PolarHBondContact OD2-N 2.95Å; Q329-K331 PolarHBondContact O-N 3.16Å; K331-A333 VanDerWaalsContact C-N 3.28Å; K331-A333 PolarHBondContact O-N 3.3Å; K331-V334 PolarHBondContact O-N 3.46Å; K331-K335 WeakPolarHBondContact O-CB 3.3Å; K331-K335 PolarHBondContact O-N 3.47Å
332	E	97.4	Very high	97.2	Very high	70 Å²	70	44.1 Å²	44.1	33%	0.327	22%	0.217	S	C	.	.	H	α-helix	trans	-69	-31.2	177.7	-67.8	-58.1	127.1	0	0	111	L324 Q329 K335 T336	L324-E332 HydrophobicContact CD1-CB 4.08Å; L324-E332 HydrophobicContact CD2-CB 3.74Å; L324-E332 HydrophobicContact CG-CB 4.47Å; Q329-E332 HydrophobicContact CB-CB 4.47Å; Q329-E332 PolarHBondContact O-N 2.92Å; E332-K335 PolarHBondContact O-N 2.95Å; E332-K335 VanDerWaalsContact OE2-CD 3.3Å; E332-K335 WeakPolarHBondContact OE2-CD 3.37Å; E332-K335 IonicContact OE2-NZ 3.59Å; E332-K335 PolarHBondContact OE2-NZ 2.96Å; E332-K335 VanDerWaalsContact OE2-NZ 3.07Å; E332-T336 WeakPolarHBondContact O-CB 3.5Å; E332-T336 PolarHBondContact O-N 3.41Å; E332-T336 PolarHBondContact O-OG1 3.16Å
333	A	98.1	Very high	97.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-41.6	173.4	0	0	0	0	0	111.7	L324 Y325 Q329 F330 K331 G337	L324-A333 HydrophobicContact CB-CB 3.97Å; Y325-A333 HydrophobicContact CD1-CB 4.29Å; Y325-A333 HydrophobicContact CD2-CB 4.34Å; Y325-A333 HydrophobicContact CE1-CB 4.06Å; Y325-A333 HydrophobicContact CE2-CB 4.1Å; Y325-A333 HydrophobicContact CG-CB 4.43Å; Q329-A333 WeakPolarHBondContact O-CB 3.29Å; Q329-A333 PolarHBondContact O-N 3.26Å; F330-A333 PolarHBondContact O-N 3.03Å; K331-A333 VanDerWaalsContact C-N 3.28Å; K331-A333 PolarHBondContact O-N 3.3Å; A333-G337 WeakPolarHBondContact O-CA 3.49Å; A333-G337 PolarHBondContact O-N 2.81Å
334	V	97.7	Very high	97.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-43.1	173.2	168.4	0	0	0	0	110.9	L254 A257 F330 K331 F338 F339 I375	L254-V334 HydrophobicContact CD1-CG1 3.69Å; L254-V334 HydrophobicContact CD1-CG2 4.27Å; A257-V334 HydrophobicContact CB-CG2 3.69Å; F330-V334 WeakPolarHBondContact O-CG2 3.33Å; F330-V334 PolarHBondContact O-N 3.01Å; K331-V334 PolarHBondContact O-N 3.46Å; V334-F338 WeakPolarHBondContact O-CA 3.2Å; V334-F338 VanDerWaalsContact O-CB 3.26Å; V334-F338 WeakPolarHBondContact O-CB 3.49Å; V334-F338 PolarHBondContact O-N 2.86Å; V334-F339 HydrophobicContact CG1-CD2 3.94Å; V334-F339 HydrophobicContact CG1-CE2 3.54Å; V334-F339 HydrophobicContact CG1-CZ 4.47Å; V334-F339 PolarHBondContact O-N 3.43Å; V334-I375 HydrophobicContact CG2-CG1 3.98Å; V334-I375 HydrophobicContact CG2-CG2 4.24Å
335	K	97.4	Very high	97	Very high	83 Å²	83	39.3 Å²	39.3	36%	0.361	20%	0.2	S	C	.	.	I	π-helix	trans	-55.8	-53.6	174.6	-174.8	-170.2	171	-165.3	0	112	K331 E332 F339 E340	K331-K335 WeakPolarHBondContact O-CB 3.3Å; K331-K335 PolarHBondContact O-N 3.47Å; E332-K335 PolarHBondContact O-N 2.95Å; E332-K335 VanDerWaalsContact OE2-CD 3.3Å; E332-K335 WeakPolarHBondContact OE2-CD 3.37Å; E332-K335 IonicContact OE2-NZ 3.59Å; E332-K335 PolarHBondContact OE2-NZ 2.96Å; E332-K335 VanDerWaalsContact OE2-NZ 3.07Å; K335-F339 WeakPolarHBondContact O-CB 3.28Å; K335-F339 PolarHBondContact O-N 2.7Å; K335-E340 VanDerWaalsContact CE-OE1 3.25Å; K335-E340 WeakPolarHBondContact CE-OE1 3.48Å; K335-E340 HydrophobicContact CG-CG 4.39Å; K335-E340 WeakPolarHBondContact O-CB 3.34Å; K335-E340 WeakPolarHBondContact O-CG 3.2Å; K335-E340 PolarHBondContact O-N 3.46Å
336	T	97.9	Very high	96.8	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.043	21%	0.212	C	C	.	.	I	π-helix	trans	-71	-47.7	-177.5	-54.1	0	0	0	0	111.8	R320 L324 E332 F341	R320-T336 HydrophobicContact CB-CG2 3.77Å; L324-T336 WeakPolarHBondContact CD1-OG1 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.5Å; E332-T336 PolarHBondContact O-N 3.41Å; E332-T336 PolarHBondContact O-OG1 3.16Å; T336-F341 PolarHBondContact O-N 3.37Å
337	G	97.4	Very high	96.7	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.031	19%	0.189	C	C	.	.	I	π-helix	trans	-85.1	-11.5	-169.4	0	0	0	0	0	114.7	C321 A333 Q368	C321-G337 WeakPolarHBondContact SG-CA 3.49Å; C321-G337 PolarHBondContact SG-N 2.99Å; C321-G337 VanDerWaalsContact SG-N 3.35Å; A333-G337 WeakPolarHBondContact O-CA 3.49Å; A333-G337 PolarHBondContact O-N 2.81Å; G337-Q368 PolarHBondContact O-NE2 3.46Å; G337-Q368 PolarHBondContact O-OE1 2.93Å
338	F	97.6	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-129.7	-56.7	178.6	-176.6	-116	0	0	0	112.5	L254 R279 L280 V334 Q342 L372	L254-F338 HydrophobicContact CD1-CD1 4.46Å; L254-F338 HydrophobicContact CD2-CE1 4.16Å; R279-F338 HydrophobicContact CB-CE1 4.17Å; R279-F338 HydrophobicContact CB-CZ 4.05Å; L280-F338 HydrophobicContact CD2-CE2 4.13Å; L280-F338 HydrophobicContact CD2-CZ 3.87Å; L280-F338 HydrophobicContact CG-CZ 4.45Å; V334-F338 WeakPolarHBondContact O-CA 3.2Å; V334-F338 VanDerWaalsContact O-CB 3.26Å; V334-F338 WeakPolarHBondContact O-CB 3.49Å; V334-F338 PolarHBondContact O-N 2.86Å; F338-Q342 WeakPolarHBondContact O-CB 3.44Å; F338-Q342 VanDerWaalsContact O-CG 3.28Å; F338-Q342 WeakPolarHBondContact O-CG 3.3Å; F338-Q342 PolarHBondContact O-N 3.37Å; F338-L372 HydrophobicContact CB-CD1 4.27Å; F338-L372 HydrophobicContact CD2-CD1 4.29Å; F338-L372 HydrophobicContact CD2-CD2 3.82Å; F338-L372 HydrophobicContact CE2-CD2 3.93Å; F338-L372 HydrophobicContact CG-CD1 4.32Å
339	F	96.4	Very high	96.4	Very high	42 Å²	42	43 Å²	43	18%	0.184	20%	0.199	C	C	.	.	I	π-helix	trans	-71.4	-54.9	-174.5	-67.1	-64.8	0	0	0	112.8	M272 V334 K335 F341 Q342 A343	M272-F339 HydrophobicContact CE-CE1 4.32Å; M272-F339 HydrophobicContact CE-CE2 3.55Å; M272-F339 HydrophobicContact CE-CZ 3.28Å; V334-F339 HydrophobicContact CG1-CD2 3.94Å; V334-F339 HydrophobicContact CG1-CE2 3.54Å; V334-F339 HydrophobicContact CG1-CZ 4.47Å; V334-F339 PolarHBondContact O-N 3.43Å; K335-F339 WeakPolarHBondContact O-CB 3.28Å; K335-F339 PolarHBondContact O-N 2.7Å; F339-F341 VanDerWaalsContact C-N 3.27Å; F339-F341 PolarHBondContact O-N 3.34Å; F339-Q342 PolarHBondContact O-N 2.89Å; F339-A343 PolarHBondContact O-N 3.33Å; F339-A343 VanDerWaalsContact O-N 3.1Å
340	E	97.2	Very high	96.1	Very high	73 Å²	73	43.6 Å²	43.6	34%	0.341	20%	0.202	S	C	.	.	I	π-helix	trans	-65.8	-35	175.7	-67.2	178.9	-174.6	0	0	110.8	K335 Q342 A343 A344	K335-E340 VanDerWaalsContact CE-OE1 3.25Å; K335-E340 WeakPolarHBondContact CE-OE1 3.48Å; K335-E340 HydrophobicContact CG-CG 4.39Å; K335-E340 WeakPolarHBondContact O-CB 3.34Å; K335-E340 WeakPolarHBondContact O-CG 3.2Å; K335-E340 PolarHBondContact O-N 3.46Å; E340-Q342 PolarHBondContact O-N 2.98Å; E340-A343 WeakPolarHBondContact O-CB 3.41Å; E340-A343 PolarHBondContact O-N 3.5Å; E340-A343 VanDerWaalsContact O-N 3.13Å; E340-A344 PolarHBondContact O-N 3.08Å
341	F	97.9	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-39.9	179.2	-155.7	-144.1	0	0	0	112.6	I314 S317 T336 F339 A344 R345 F364 V367 Q368 L371	I314-F341 HydrophobicContact CB-CE2 4.12Å; I314-F341 HydrophobicContact CB-CZ 4.25Å; I314-F341 HydrophobicContact CG1-CE2 3.69Å; I314-F341 HydrophobicContact CG1-CZ 3.85Å; I314-F341 HydrophobicContact CG2-CE2 4.45Å; I314-F341 HydrophobicContact CG2-CZ 4.12Å; S317-F341 WeakPolarHBondContact OG-CD2 3.47Å; T336-F341 PolarHBondContact O-N 3.37Å; F339-F341 VanDerWaalsContact C-N 3.27Å; F339-F341 PolarHBondContact O-N 3.34Å; F341-A344 PolarHBondContact O-N 3.44Å; F341-R345 PolarHBondContact O-N 2.94Å; F341-F364 HydrophobicContact CB-CE2 4.48Å; F341-F364 HydrophobicContact CD1-CD2 4.13Å; F341-F364 AromaticContact CD1-CE2 3.56Å; F341-F364 HydrophobicContact CD1-CE2 3.56Å; F341-F364 HydrophobicContact CD1-CZ 4.31Å; F341-F364 HydrophobicContact CD2-CD2 4.26Å; F341-F364 AromaticContact CD2-CE2 3.9Å; F341-F364 HydrophobicContact CD2-CE2 3.9Å; F341-F364 AromaticContact CE1-CD2 3.65Å; F341-F364 HydrophobicContact CE1-CD2 3.65Å; F341-F364 AromaticContact CE1-CE2 3.57Å; F341-F364 HydrophobicContact CE1-CE2 3.57Å; F341-F364 HydrophobicContact CE1-CZ 4.48Å; F341-F364 AromaticContact CE2-CD2 3.74Å; F341-F364 HydrophobicContact CE2-CD2 3.74Å; F341-F364 AromaticContact CE2-CE2 3.86Å; F341-F364 HydrophobicContact CE2-CE2 3.86Å; F341-F364 HydrophobicContact CG-CD2 4.4Å; F341-F364 AromaticContact CG-CE2 3.71Å; F341-F364 HydrophobicContact CG-CE2 3.71Å; F341-F364 AromaticContact CZ-CD2 3.42Å; F341-F364 HydrophobicContact CZ-CD2 3.42Å; F341-F364 VanDerWaalsContact CZ-CD2 3.42Å; F341-F364 AromaticContact CZ-CE2 3.72Å; F341-F364 HydrophobicContact CZ-CE2 3.72Å; F341-F364 HydrophobicContact CZ-CG 4.47Å; F341-F364 VanDerWaalsContact O-CE2 3.28Å; F341-F364 WeakPolarHBondContact O-CE2 3.22Å; F341-V367 HydrophobicContact CE1-CB 4.26Å; F341-V367 HydrophobicContact CE1-CG1 3.85Å; F341-V367 HydrophobicContact CZ-CB 4.23Å; F341-V367 HydrophobicContact CZ-CG1 3.8Å; F341-Q368 HydrophobicContact CD1-CB 3.92Å; F341-Q368 HydrophobicContact CD1-CG 4.34Å; F341-Q368 VanDerWaalsContact CD1-OE1 3.31Å; F341-Q368 HydrophobicContact CE1-CB 3.75Å; F341-L371 HydrophobicContact CD1-CD1 4.28Å; F341-L371 HydrophobicContact CE1-CD1 4.21Å
342	Q	97.2	Very high	95.2	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-36.1	169.8	-74.8	-169.4	0.3	0	0	112.8	F338 F339 E340 A344 R345 D346	F338-Q342 WeakPolarHBondContact O-CB 3.44Å; F338-Q342 VanDerWaalsContact O-CG 3.28Å; F338-Q342 WeakPolarHBondContact O-CG 3.3Å; F338-Q342 PolarHBondContact O-N 3.37Å; F339-Q342 PolarHBondContact O-N 2.89Å; E340-Q342 PolarHBondContact O-N 2.98Å; Q342-A344 VanDerWaalsContact C-N 3.34Å; Q342-R345 WeakPolarHBondContact O-CB 3.27Å; Q342-R345 PolarHBondContact O-N 3.46Å; Q342-D346 VanDerWaalsContact O-CG 3.29Å; Q342-D346 PolarHBondContact O-N 3.36Å
343	A	96.3	Very high	94.2	Very high	50 Å²	50	38.5 Å²	38.5	41%	0.413	19%	0.186	S	C	.	.	H	α-helix	trans	-63.5	-39.7	175.6	0	0	0	0	0	111.9	F339 E340 R345 D346 R347	F339-A343 PolarHBondContact O-N 3.33Å; F339-A343 VanDerWaalsContact O-N 3.1Å; E340-A343 WeakPolarHBondContact O-CB 3.41Å; E340-A343 PolarHBondContact O-N 3.5Å; E340-A343 VanDerWaalsContact O-N 3.13Å; A343-R345 VanDerWaalsContact C-N 3.34Å; A343-R345 PolarHBondContact O-N 3.08Å; A343-D346 PolarHBondContact O-N 2.77Å; A343-R347 WeakPolarHBondContact O-CB 3.35Å; A343-R347 PolarHBondContact O-N 3.35Å
344	A	96.6	Very high	93.1	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-43.3	173.5	0	0	0	0	0	111.9	F310 E313 E340 F341 Q342 R347 Y348	F310-A344 HydrophobicContact CD2-CB 4.22Å; F310-A344 HydrophobicContact CE2-CB 4.14Å; E313-A344 HydrophobicContact CB-CB 4.27Å; E313-A344 VanDerWaalsContact OE2-CB 3.24Å; E313-A344 WeakPolarHBondContact OE2-CB 3.25Å; E340-A344 PolarHBondContact O-N 3.08Å; F341-A344 PolarHBondContact O-N 3.44Å; Q342-A344 VanDerWaalsContact C-N 3.34Å; A344-R347 PolarHBondContact O-N 2.97Å; A344-Y348 PolarHBondContact O-N 2.89Å
345	R	96	Very high	92.3	Very high	27 Å²	27	44 Å²	44	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-46	173.6	176.8	-148.2	61.8	-158.5	-9.5	111.6	W286 F310 F341 Q342 A343 R347 Y348 R349 F364	W286-R345 HydrophobicContact CH2-CG 4.22Å; W286-R345 HydrophobicContact CZ2-CG 4.31Å; F310-R345 VanDerWaalsContact CE2-CA 3.48Å; F310-R345 HydrophobicContact CE2-CB 4.05Å; F310-R345 HydrophobicContact CZ-CB 4Å; F310-R345 HydrophobicContact CZ-CG 4.44Å; F341-R345 PolarHBondContact O-N 2.94Å; Q342-R345 WeakPolarHBondContact O-CB 3.27Å; Q342-R345 PolarHBondContact O-N 3.46Å; A343-R345 VanDerWaalsContact C-N 3.34Å; A343-R345 PolarHBondContact O-N 3.08Å; R345-R347 VanDerWaalsContact C-N 3.31Å; R345-R347 PolarHBondContact O-N 3.14Å; R345-Y348 PolarHBondContact O-N 3.38Å; R345-R349 PolarHBondContact O-N 3.46Å; R345-F364 HydrophobicContact CB-CD2 4.4Å; R345-F364 HydrophobicContact CB-CE1 4.06Å; R345-F364 HydrophobicContact CB-CE2 3.94Å; R345-F364 HydrophobicContact CB-CZ 3.76Å; R345-F364 HydrophobicContact CG-CD1 4.33Å; R345-F364 HydrophobicContact CG-CE1 4.04Å; R345-F364 HydrophobicContact CG-CZ 4.26Å
346	D	94.5	Very high	91.8	Very high	74 Å²	74	42.6 Å²	42.6	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-38.6	-178.8	-68.3	-18.5	0	0	0	111.4	Q342 A343 R349 E350	Q342-D346 VanDerWaalsContact O-CG 3.29Å; Q342-D346 PolarHBondContact O-N 3.36Å; A343-D346 PolarHBondContact O-N 2.77Å; D346-R349 WeakPolarHBondContact O-CB 3.33Å; D346-R349 PolarHBondContact O-N 3.41Å; D346-E350 PolarHBondContact O-N 2.85Å
347	R	93.2	Very high	91.4	Very high	46 Å²	46	42.5 Å²	42.5	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-48.5	171.3	-173.8	-167.8	-62.1	130.5	-12.8	111.8	E313 A343 A344 R345 R349 E350 W351 E416	E313-R347 IonicContact OE1-CZ 3.91Å; E313-R347 IonicContact OE1-NH1 3.66Å; E313-R347 PolarHBondContact OE1-NH1 2.95Å; E313-R347 IonicContact OE2-NH1 3.84Å; E313-R347 PolarHBondContact OE2-NH1 2.86Å; A343-R347 WeakPolarHBondContact O-CB 3.35Å; A343-R347 PolarHBondContact O-N 3.35Å; A344-R347 PolarHBondContact O-N 2.97Å; R345-R347 VanDerWaalsContact C-N 3.31Å; R345-R347 PolarHBondContact O-N 3.14Å; R347-R349 PolarHBondContact O-N 3.36Å; R347-E350 PolarHBondContact O-N 3.4Å; R347-W351 HydrophobicContact CG-CD2 3.85Å; R347-W351 HydrophobicContact CG-CE3 4.38Å; R347-W351 HydrophobicContact CG-CG 4.16Å; R347-W351 HydrophobicContact CG-CZ2 4.05Å; R347-W351 WeakPolarHBondContact O-CB 3.29Å; R347-W351 PolarHBondContact O-N 2.99Å; R347-E416 IonicContact CZ-OE1 3.48Å; R347-E416 IonicContact NE-OE1 3.55Å; R347-E416 PolarHBondContact NE-OE1 2.88Å; R347-E416 IonicContact NH2-OE1 3.98Å; R347-E416 PolarHBondContact NH2-OE1 3.46Å; R347-E416 IonicContact NH2-OE2 2.76Å
348	Y	94.3	Very high	90.9	Very high	6 Å²	6	44.3 Å²	44.3	2%	0.024	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-41	177.6	175.7	-128.1	0	0	0	111.7	A306 A307 F310 A344 R345 S352 L356 N357 L360 I361	A306-Y348 HydrophobicContact CB-CD2 3.98Å; A306-Y348 HydrophobicContact CB-CE2 4.17Å; A306-Y348 WeakPolarHBondContact O-CD2 3.46Å; A307-Y348 HydrophobicContact CB-CE2 3.97Å; F310-Y348 HydrophobicContact CB-CD1 4.41Å; F310-Y348 HydrophobicContact CB-CD2 3.87Å; F310-Y348 HydrophobicContact CB-CG 3.77Å; F310-Y348 AromaticContact CD1-CD1 3.33Å; F310-Y348 HydrophobicContact CD1-CD1 3.33Å; F310-Y348 HydrophobicContact CD1-CD2 4.27Å; F310-Y348 AromaticContact CD1-CE1 3.89Å; F310-Y348 HydrophobicContact CD1-CE1 3.89Å; F310-Y348 AromaticContact CD1-CG 3.57Å; F310-Y348 HydrophobicContact CD1-CG 3.57Å; F310-Y348 HydrophobicContact CD2-CG 4.41Å; F310-Y348 AromaticContact CE1-CD1 3.68Å; F310-Y348 HydrophobicContact CE1-CD1 3.68Å; F310-Y348 HydrophobicContact CE1-CE1 4.28Å; F310-Y348 HydrophobicContact CE1-CG 4.25Å; F310-Y348 AromaticContact CG-CD1 3.94Å; F310-Y348 HydrophobicContact CG-CD1 3.94Å; F310-Y348 HydrophobicContact CG-CD2 4.27Å; F310-Y348 AromaticContact CG-CG 3.67Å; F310-Y348 HydrophobicContact CG-CG 3.67Å; F310-Y348 HydrophobicContact CZ-CD1 4.5Å; A344-Y348 PolarHBondContact O-N 2.89Å; R345-Y348 PolarHBondContact O-N 3.38Å; Y348-S352 VanDerWaalsContact CE2-OG 3.24Å; Y348-S352 WeakPolarHBondContact CE2-OG 3.19Å; Y348-S352 VanDerWaalsContact O-CB 3.29Å; Y348-S352 WeakPolarHBondContact O-CB 3.17Å; Y348-S352 PolarHBondContact O-N 3.34Å; Y348-S352 VanDerWaalsContact O-N 3.16Å; Y348-S352 PolarHBondContact O-OG 3.24Å; Y348-L356 HydrophobicContact CD1-CD2 4.12Å; Y348-L356 HydrophobicContact CE1-CB 4.14Å; Y348-L356 HydrophobicContact CE1-CD2 3.78Å; Y348-L356 HydrophobicContact CE1-CG 4.41Å; Y348-L356 HydrophobicContact CE2-CD2 4.48Å; Y348-N357 PolarHBondContact OH-N 3.36Å; Y348-L360 HydrophobicContact CE1-CD2 4.37Å; Y348-I361 HydrophobicContact CD1-CD1 3.89Å; Y348-I361 HydrophobicContact CE1-CD1 3.86Å; Y348-I361 HydrophobicContact CE1-CG1 4.3Å
349	R	90.5	Very high	90.6	Very high	175 Å²	175	47 Å²	47	66%	0.66	25%	0.253	S	S	*	.	H	α-helix	trans	-64.7	-41.1	175	-178.1	178.9	173.2	-131.3	-1.3	112.6	R345 D346 R347 L356	R345-R349 PolarHBondContact O-N 3.46Å; D346-R349 WeakPolarHBondContact O-CB 3.33Å; D346-R349 PolarHBondContact O-N 3.41Å; R347-R349 PolarHBondContact O-N 3.36Å; R349-L356 HydrophobicContact CB-CD1 4.45Å; R349-L356 HydrophobicContact CG-CD1 4.38Å
350	E	88.5	Confident	90.4	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-43	179.7	-166.1	-173.8	153.3	0	0	111.9	D346 R347 S352 R423 Y535	D346-E350 PolarHBondContact O-N 2.85Å; R347-E350 PolarHBondContact O-N 3.4Å; E350-S352 VanDerWaalsContact C-N 3.33Å; E350-S352 PolarHBondContact O-N 2.92Å; E350-R423 IonicContact OE1-NH2 2.64Å; E350-R423 PolarHBondContact OE1-NH2 3.38Å; E350-R423 VanDerWaalsContact OE1-NH2 3.09Å; E350-Y535 VanDerWaalsContact CD-OH 3.29Å; E350-Y535 HydrophobicContact CG-CE2 3.97Å; E350-Y535 WeakPolarHBondContact O-CD2 3.44Å; E350-Y535 WeakPolarHBondContact O-CE2 3.46Å; E350-Y535 PolarHBondContact OE1-OH 3.14Å
351	W	89.1	Confident	90.2	Very high	14 Å²	14	42.1 Å²	42.1	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-76	-21.4	-175.4	-71.5	15.7	0	0	0	113.2	F305 A306 R347 V353 C412 L415 E416 Y535	F305-W351 HydrophobicContact CD1-CE3 4.38Å; F305-W351 HydrophobicContact CD1-CZ3 4.26Å; F305-W351 HydrophobicContact CE1-CE3 4.23Å; F305-W351 AromaticContact CE1-CZ3 3.67Å; F305-W351 HydrophobicContact CE1-CZ3 3.67Å; A306-W351 HydrophobicContact CB-CB 3.88Å; R347-W351 HydrophobicContact CG-CD2 3.85Å; R347-W351 HydrophobicContact CG-CE3 4.38Å; R347-W351 HydrophobicContact CG-CG 4.16Å; R347-W351 HydrophobicContact CG-CZ2 4.05Å; R347-W351 WeakPolarHBondContact O-CB 3.29Å; R347-W351 PolarHBondContact O-N 2.99Å; W351-V353 PolarHBondContact O-N 2.81Å; W351-C412 HydrophobicContact CH2-CB 4.48Å; W351-L415 HydrophobicContact CD2-CD2 4.45Å; W351-L415 HydrophobicContact CE3-CD2 4.12Å; W351-L415 HydrophobicContact CH2-CB 4Å; W351-L415 HydrophobicContact CH2-CD2 3.79Å; W351-L415 HydrophobicContact CH2-CG 4.14Å; W351-L415 HydrophobicContact CZ2-CB 4.46Å; W351-L415 HydrophobicContact CZ2-CD2 4.12Å; W351-L415 HydrophobicContact CZ2-CG 4.29Å; W351-L415 HydrophobicContact CZ3-CD2 3.8Å; W351-E416 HydrophobicContact CH2-CG 4.05Å; W351-E416 HydrophobicContact CZ2-CG 3.66Å; W351-Y535 HydrophobicContact CB-CD1 4.47Å; W351-Y535 HydrophobicContact CB-CE1 4.44Å; W351-Y535 AromaticContact CD1-CE1 3.2Å; W351-Y535 AromaticContact CD1-CE2 3.94Å; W351-Y535 AromaticContact CD1-CZ 3.19Å; W351-Y535 VanDerWaalsContact CD1-OH 3.23Å; W351-Y535 HydrophobicContact CD2-CE1 4.33Å; W351-Y535 HydrophobicContact CG-CD1 4.17Å; W351-Y535 AromaticContact CG-CE1 3.77Å; W351-Y535 HydrophobicContact CG-CE1 3.77Å; W351-Y535 AromaticContact NE1-CE1 3.39Å; W351-Y535 AromaticContact NE1-CZ 3.61Å; W351-Y535 PolarHBondContact NE1-OH 3.36Å
352	S	87.3	Confident	90.1	Very high	22 Å²	22	44.7 Å²	44.7	15%	0.154	24%	0.244	C	C	.	.			trans	-80.4	105.3	178.1	-62.1	0	0	0	0	110.9	Y348 E350 G354 L356	Y348-S352 VanDerWaalsContact CE2-OG 3.24Å; Y348-S352 WeakPolarHBondContact CE2-OG 3.19Å; Y348-S352 VanDerWaalsContact O-CB 3.29Å; Y348-S352 WeakPolarHBondContact O-CB 3.17Å; Y348-S352 PolarHBondContact O-N 3.34Å; Y348-S352 VanDerWaalsContact O-N 3.16Å; Y348-S352 PolarHBondContact O-OG 3.24Å; E350-S352 VanDerWaalsContact C-N 3.33Å; E350-S352 PolarHBondContact O-N 2.92Å; S352-G354 PolarHBondContact O-N 3.2Å; S352-L356 VanDerWaalsContact CB-CD2 3.41Å; S352-L356 WeakPolarHBondContact OG-CD2 3.35Å
353	V	76.9	Confident	90	Very high	65 Å²	65	46.1 Å²	46.1	39%	0.394	25%	0.249	S	C	.	.	S	Bend	trans	-73.9	-15.8	175.7	-171.1	0	0	0	0	112.1	W351 D534	W351-V353 PolarHBondContact O-N 2.81Å; V353-D534 HydrophobicContact CG1-CB 4.5Å; V353-D534 HydrophobicContact CG2-CB 4.13Å
354	G	75.9	Confident	90	Very high	46 Å²	46	43.8 Å²	43.8	47%	0.474	23%	0.229	S	C	.	.	S	Bend	trans	-115.7	-168.1	179.4	0	0	0	0	0	113.9	S352	S352-G354 PolarHBondContact O-N 3.2Å
355	P	79.4	Confident	90.1	Very high	72 Å²	72	43.6 Å²	43.6	47%	0.468	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-60.4	142.4	175.8	26.3	-33	0	0	0	110.7	R298 G300	R298-P355 HydrophobicContact CB-CB 4.5Å; G300-P355 WeakPolarHBondContact CA-O 2.93Å
356	L	87.1	Confident	90.1	Very high	54 Å²	54	45.9 Å²	45.9	28%	0.283	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-71.7	149.9	174.1	-58.1	176.9	0	0	0	110	G300 Y348 R349 S352 H358 I361	G300-L356 PolarHBondContact N-O 3.36Å; G300-L356 VanDerWaalsContact N-O 3.12Å; Y348-L356 HydrophobicContact CD1-CD2 4.12Å; Y348-L356 HydrophobicContact CE1-CB 4.14Å; Y348-L356 HydrophobicContact CE1-CD2 3.78Å; Y348-L356 HydrophobicContact CE1-CG 4.41Å; Y348-L356 HydrophobicContact CE2-CD2 4.48Å; R349-L356 HydrophobicContact CB-CD1 4.45Å; R349-L356 HydrophobicContact CG-CD1 4.38Å; S352-L356 VanDerWaalsContact CB-CD2 3.41Å; S352-L356 WeakPolarHBondContact OG-CD2 3.35Å; L356-H358 PolarHBondContact O-N 3.41Å; L356-I361 HydrophobicContact CB-CG1 4.26Å; L356-I361 HydrophobicContact CD1-CD1 4.23Å; L356-I361 HydrophobicContact CD1-CG1 4.48Å
357	N	89.3	Confident	90.3	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.032	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-72.9	116.9	171.1	-175.2	-80.4	0	0	0	109.2	G300 Y348 S359 L360 I361	G300-N357 PolarHBondContact O-ND2 2.97Å; Y348-N357 PolarHBondContact OH-N 3.36Å; N357-S359 PolarHBondContact OD1-N 3.1Å; N357-S359 PolarHBondContact OD1-OG 3.4Å; N357-L360 HydrophobicContact CB-CB 4.02Å; N357-L360 PolarHBondContact O-N 2.9Å; N357-L360 WeakPolarHBondContact OD1-CB 3.31Å; N357-L360 PolarHBondContact OD1-N 2.74Å; N357-I361 WeakPolarHBondContact O-CG1 3.48Å; N357-I361 PolarHBondContact O-N 2.97Å; N357-I361 VanDerWaalsContact O-N 3.16Å
358	H	88.2	Confident	90.6	Very high	41 Å²	41	40.6 Å²	40.6	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-70	-40.9	-172.2	-170.3	71.5	0	0	0	111.3	S294 D299 L356 L360 I361 L362	S294-H358 VanDerWaalsContact CA-CE1 3.47Å; S294-H358 WeakPolarHBondContact CA-CE1 3.39Å; S294-H358 WeakPolarHBondContact CA-NE2 3.38Å; S294-H358 WeakPolarHBondContact CB-CE1 3.48Å; S294-H358 WeakPolarHBondContact CB-NE2 3.27Å; D299-H358 WeakPolarHBondContact OD1-CA 3.45Å; D299-H358 WeakPolarHBondContact OD1-CB 3.49Å; D299-H358 PolarHBondContact OD1-N 3.1Å; L356-H358 PolarHBondContact O-N 3.41Å; H358-L360 VanDerWaalsContact C-N 3.27Å; H358-L360 PolarHBondContact O-N 3.31Å; H358-I361 PolarHBondContact O-N 3.23Å; H358-I361 VanDerWaalsContact O-N 3.16Å; H358-L362 WeakPolarHBondContact O-CG 3.39Å; H358-L362 PolarHBondContact O-N 3.29Å
359	S	90.1	Very high	90.8	Very high	57 Å²	57	40.3 Å²	40.3	40%	0.399	21%	0.214	S	C	.	.	H	α-helix	trans	-59.4	-37.8	177.1	77.4	0	0	0	0	112.7	N357 L362 R363	N357-S359 PolarHBondContact OD1-N 3.1Å; N357-S359 PolarHBondContact OD1-OG 3.4Å; S359-L362 PolarHBondContact O-N 3.46Å; S359-R363 WeakPolarHBondContact O-CB 3.26Å; S359-R363 PolarHBondContact O-N 2.9Å
360	L	92.7	Very high	91.1	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-70.7	-37.4	177.7	-173.3	57.3	0	0	0	111.9	A307 F310 D311 I314 Y348 N357 H358 R363 F364	A307-L360 HydrophobicContact CB-CD2 4.03Å; F310-L360 HydrophobicContact CB-CD2 4.43Å; F310-L360 HydrophobicContact CD1-CD1 4.41Å; F310-L360 HydrophobicContact CD1-CD2 3.71Å; F310-L360 HydrophobicContact CD1-CG 3.73Å; F310-L360 HydrophobicContact CE1-CG 4.13Å; D311-L360 HydrophobicContact CB-CD1 3.79Å; D311-L360 HydrophobicContact CB-CD2 4.42Å; D311-L360 VanDerWaalsContact OD1-CD1 3.25Å; D311-L360 WeakPolarHBondContact OD1-CD1 3.41Å; I314-L360 HydrophobicContact CD1-CD1 3.84Å; Y348-L360 HydrophobicContact CE1-CD2 4.37Å; N357-L360 HydrophobicContact CB-CB 4.02Å; N357-L360 PolarHBondContact O-N 2.9Å; N357-L360 WeakPolarHBondContact OD1-CB 3.31Å; N357-L360 PolarHBondContact OD1-N 2.74Å; H358-L360 VanDerWaalsContact C-N 3.27Å; H358-L360 PolarHBondContact O-N 3.31Å; L360-R363 PolarHBondContact O-N 3.18Å; L360-F364 PolarHBondContact O-N 3Å
361	I	94.1	Very high	91.6	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.036	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-42.8	173.5	-67.2	-64.2	0	0	0	111.2	W286 V290 F310 Y348 L356 N357 H358 R363 F364 I365	W286-I361 HydrophobicContact CH2-CG2 3.76Å; W286-I361 HydrophobicContact CZ2-CG2 3.87Å; V290-I361 HydrophobicContact CG1-CG2 3.72Å; V290-I361 HydrophobicContact CG2-CG2 4.2Å; F310-I361 HydrophobicContact CE1-CD1 4.26Å; Y348-I361 HydrophobicContact CD1-CD1 3.89Å; Y348-I361 HydrophobicContact CE1-CD1 3.86Å; Y348-I361 HydrophobicContact CE1-CG1 4.3Å; L356-I361 HydrophobicContact CB-CG1 4.26Å; L356-I361 HydrophobicContact CD1-CD1 4.23Å; L356-I361 HydrophobicContact CD1-CG1 4.48Å; N357-I361 WeakPolarHBondContact O-CG1 3.48Å; N357-I361 PolarHBondContact O-N 2.97Å; N357-I361 VanDerWaalsContact O-N 3.16Å; H358-I361 PolarHBondContact O-N 3.23Å; H358-I361 VanDerWaalsContact O-N 3.16Å; I361-R363 VanDerWaalsContact C-N 3.34Å; I361-F364 WeakPolarHBondContact O-CB 3.42Å; I361-F364 PolarHBondContact O-N 3.05Å; I361-I365 HydrophobicContact CG2-CD1 4.11Å; I361-I365 WeakPolarHBondContact O-CG1 3.19Å; I361-I365 PolarHBondContact O-N 2.93Å
362	L	93.9	Very high	92.1	Very high	55 Å²	55	27.3 Å²	27.3	29%	0.288	16%	0.162	S	C	.	.	H	α-helix	trans	-62.4	-42.7	175.2	-69.1	-179.6	0	0	0	111.4	V290 H358 S359 F364 I365 E366 L387	V290-L362 HydrophobicContact CG1-CD2 4.27Å; H358-L362 WeakPolarHBondContact O-CG 3.39Å; H358-L362 PolarHBondContact O-N 3.29Å; S359-L362 PolarHBondContact O-N 3.46Å; L362-F364 VanDerWaalsContact C-N 3.31Å; L362-F364 PolarHBondContact O-N 3.46Å; L362-I365 HydrophobicContact CD2-CD1 4.49Å; L362-I365 PolarHBondContact O-N 3.14Å; L362-I365 VanDerWaalsContact O-N 3.16Å; L362-E366 PolarHBondContact O-N 3.43Å; L362-L387 HydrophobicContact CD2-CD2 4.11Å
363	R	95	Very high	92.6	Very high	42 Å²	42	27.6 Å²	27.6	16%	0.158	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-45.3	172.9	-177.7	-179.2	-173.4	-136.2	-8.2	111.5	D311 N315 S359 L360 I361 E366 V367 R402	D311-R363 VanDerWaalsContact CG-NH1 3.26Å; D311-R363 IonicContact OD1-CZ 3.95Å; D311-R363 IonicContact OD1-NH1 2.73Å; D311-R363 PolarHBondContact OD1-NH1 3.36Å; D311-R363 IonicContact OD2-NH1 2.86Å; D311-R363 PolarHBondContact OD2-NH1 3.16Å; N315-R363 PolarHBondContact OD1-NH2 3.08Å; S359-R363 WeakPolarHBondContact O-CB 3.26Å; S359-R363 PolarHBondContact O-N 2.9Å; L360-R363 PolarHBondContact O-N 3.18Å; I361-R363 VanDerWaalsContact C-N 3.34Å; R363-E366 PolarHBondContact O-N 3.33Å; R363-V367 HydrophobicContact CG-CG2 4.37Å; R363-V367 WeakPolarHBondContact O-CB 3.37Å; R363-V367 VanDerWaalsContact O-CG2 3.28Å; R363-V367 WeakPolarHBondContact O-CG2 3.39Å; R363-V367 PolarHBondContact O-N 3.44Å; R363-R402 VanDerWaalsContact CZ-CZ 3.46Å
364	F	97.2	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-47	175.6	166.1	-94.3	0	0	0	111.8	F283 W286 F310 I314 F341 R345 L360 I361 L362 E366 V367 Q368	F283-F364 HydrophobicContact CE2-CE1 4.49Å; W286-F364 AromaticContact CH2-CD1 3.85Å; W286-F364 HydrophobicContact CH2-CD1 3.85Å; W286-F364 AromaticContact CH2-CE1 3.98Å; W286-F364 HydrophobicContact CH2-CE1 3.98Å; W286-F364 AromaticContact CZ3-CD1 3.98Å; W286-F364 HydrophobicContact CZ3-CD1 3.98Å; W286-F364 AromaticContact CZ3-CE1 3.79Å; W286-F364 HydrophobicContact CZ3-CE1 3.79Å; F310-F364 HydrophobicContact CE1-CB 4Å; F310-F364 HydrophobicContact CE1-CG 4.42Å; F310-F364 AromaticContact CE2-CD2 3.98Å; F310-F364 HydrophobicContact CE2-CD2 3.98Å; F310-F364 HydrophobicContact CZ-CB 3.7Å; F310-F364 AromaticContact CZ-CD2 3.51Å; F310-F364 HydrophobicContact CZ-CD2 3.51Å; F310-F364 HydrophobicContact CZ-CE2 4.32Å; F310-F364 AromaticContact CZ-CG 3.66Å; F310-F364 HydrophobicContact CZ-CG 3.66Å; I314-F364 HydrophobicContact CD1-CB 4.04Å; F341-F364 HydrophobicContact CB-CE2 4.48Å; F341-F364 HydrophobicContact CD1-CD2 4.13Å; F341-F364 AromaticContact CD1-CE2 3.56Å; F341-F364 HydrophobicContact CD1-CE2 3.56Å; F341-F364 HydrophobicContact CD1-CZ 4.31Å; F341-F364 HydrophobicContact CD2-CD2 4.26Å; F341-F364 AromaticContact CD2-CE2 3.9Å; F341-F364 HydrophobicContact CD2-CE2 3.9Å; F341-F364 AromaticContact CE1-CD2 3.65Å; F341-F364 HydrophobicContact CE1-CD2 3.65Å; F341-F364 AromaticContact CE1-CE2 3.57Å; F341-F364 HydrophobicContact CE1-CE2 3.57Å; F341-F364 HydrophobicContact CE1-CZ 4.48Å; F341-F364 AromaticContact CE2-CD2 3.74Å; F341-F364 HydrophobicContact CE2-CD2 3.74Å; F341-F364 AromaticContact CE2-CE2 3.86Å; F341-F364 HydrophobicContact CE2-CE2 3.86Å; F341-F364 HydrophobicContact CG-CD2 4.4Å; F341-F364 AromaticContact CG-CE2 3.71Å; F341-F364 HydrophobicContact CG-CE2 3.71Å; F341-F364 AromaticContact CZ-CD2 3.42Å; F341-F364 HydrophobicContact CZ-CD2 3.42Å; F341-F364 VanDerWaalsContact CZ-CD2 3.42Å; F341-F364 AromaticContact CZ-CE2 3.72Å; F341-F364 HydrophobicContact CZ-CE2 3.72Å; F341-F364 HydrophobicContact CZ-CG 4.47Å; F341-F364 VanDerWaalsContact O-CE2 3.28Å; F341-F364 WeakPolarHBondContact O-CE2 3.22Å; R345-F364 HydrophobicContact CB-CD2 4.4Å; R345-F364 HydrophobicContact CB-CE1 4.06Å; R345-F364 HydrophobicContact CB-CE2 3.94Å; R345-F364 HydrophobicContact CB-CZ 3.76Å; R345-F364 HydrophobicContact CG-CD1 4.33Å; R345-F364 HydrophobicContact CG-CE1 4.04Å; R345-F364 HydrophobicContact CG-CZ 4.26Å; L360-F364 PolarHBondContact O-N 3Å; I361-F364 WeakPolarHBondContact O-CB 3.42Å; I361-F364 PolarHBondContact O-N 3.05Å; L362-F364 VanDerWaalsContact C-N 3.31Å; L362-F364 PolarHBondContact O-N 3.46Å; F364-E366 PolarHBondContact O-N 3.23Å; F364-V367 PolarHBondContact O-N 3.14Å; F364-Q368 HydrophobicContact CE1-CB 4.46Å; F364-Q368 HydrophobicContact CZ-CB 4.33Å; F364-Q368 HydrophobicContact CZ-CG 4.4Å; F364-Q368 WeakPolarHBondContact O-CB 3.37Å; F364-Q368 PolarHBondContact O-N 3.46Å
365	I	97.8	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-45.2	-179.3	-64.5	165.5	0	0	0	110.7	W286 V287 V290 I361 L362 Q368 A369 V383 L387	W286-I365 HydrophobicContact CH2-CD1 4.06Å; W286-I365 HydrophobicContact CH2-CG1 3.89Å; W286-I365 HydrophobicContact CZ3-CD1 3.88Å; W286-I365 HydrophobicContact CZ3-CG1 3.53Å; V287-I365 HydrophobicContact CG1-CG2 4.05Å; V287-I365 HydrophobicContact CG2-CD1 4.23Å; V287-I365 HydrophobicContact CG2-CG1 4.16Å; V287-I365 HydrophobicContact CG2-CG2 3.68Å; V290-I365 HydrophobicContact CB-CD1 4.11Å; V290-I365 HydrophobicContact CG1-CD1 3.78Å; V290-I365 HydrophobicContact CG2-CD1 4.49Å; I361-I365 HydrophobicContact CG2-CD1 4.11Å; I361-I365 WeakPolarHBondContact O-CG1 3.19Å; I361-I365 PolarHBondContact O-N 2.93Å; L362-I365 HydrophobicContact CD2-CD1 4.49Å; L362-I365 PolarHBondContact O-N 3.14Å; L362-I365 VanDerWaalsContact O-N 3.16Å; I365-Q368 PolarHBondContact O-N 3.31Å; I365-A369 WeakPolarHBondContact O-CB 3.17Å; I365-A369 PolarHBondContact O-N 2.98Å; I365-V383 HydrophobicContact CG2-CG1 3.6Å; I365-L387 HydrophobicContact CB-CD2 4.4Å; I365-L387 HydrophobicContact CG2-CD1 4.03Å; I365-L387 HydrophobicContact CG2-CD2 3.95Å; I365-L387 HydrophobicContact CG2-CG 4.25Å
366	E	97.6	Very high	95.6	Very high	76 Å²	76	22.1 Å²	22.1	36%	0.355	12%	0.12	S	C	.	.	H	α-helix	trans	-60.7	-50.5	178.9	-168.3	-180	157.7	0	0	111.1	L362 R363 F364 Q368 A369 L370 W384 L387 H389	L362-E366 PolarHBondContact O-N 3.43Å; R363-E366 PolarHBondContact O-N 3.33Å; F364-E366 PolarHBondContact O-N 3.23Å; E366-Q368 PolarHBondContact O-N 3.04Å; E366-A369 PolarHBondContact O-N 3.41Å; E366-L370 HydrophobicContact CG-CD1 4.48Å; E366-L370 WeakPolarHBondContact O-CG 3.42Å; E366-L370 PolarHBondContact O-N 3.1Å; E366-W384 HydrophobicContact CG-CE3 4.46Å; E366-W384 HydrophobicContact CG-CH2 3.84Å; E366-W384 HydrophobicContact CG-CZ3 3.46Å; E366-W384 VanDerWaalsContact CG-CZ3 3.46Å; E366-L387 HydrophobicContact CB-CD1 3.98Å; E366-L387 HydrophobicContact CG-CD1 4.34Å; E366-H389 IonicContact OE1-CE1 3.62Å
367	V	98.4	Very high	96.1	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.055	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-43.6	178.1	172.8	0	0	0	0	111	I314 I318 F341 R363 F364 A369 L370 L371 P399	I314-V367 HydrophobicContact CG2-CB 4.3Å; I314-V367 HydrophobicContact CG2-CG1 4.15Å; I314-V367 HydrophobicContact CG2-CG2 4.02Å; I318-V367 HydrophobicContact CD1-CG1 3.77Å; I318-V367 HydrophobicContact CD1-CG2 4.05Å; I318-V367 HydrophobicContact CG1-CG1 3.54Å; F341-V367 HydrophobicContact CE1-CB 4.26Å; F341-V367 HydrophobicContact CE1-CG1 3.85Å; F341-V367 HydrophobicContact CZ-CB 4.23Å; F341-V367 HydrophobicContact CZ-CG1 3.8Å; R363-V367 HydrophobicContact CG-CG2 4.37Å; R363-V367 WeakPolarHBondContact O-CB 3.37Å; R363-V367 VanDerWaalsContact O-CG2 3.28Å; R363-V367 WeakPolarHBondContact O-CG2 3.39Å; R363-V367 PolarHBondContact O-N 3.44Å; F364-V367 PolarHBondContact O-N 3.14Å; V367-A369 VanDerWaalsContact C-N 3.3Å; V367-A369 PolarHBondContact O-N 3.38Å; V367-L370 PolarHBondContact O-N 3.34Å; V367-L370 VanDerWaalsContact O-N 3.14Å; V367-L371 HydrophobicContact CG1-CD1 3.81Å; V367-L371 HydrophobicContact CG1-CG 3.96Å; V367-L371 VanDerWaalsContact O-CG 3.32Å; V367-L371 WeakPolarHBondContact O-CG 3.42Å; V367-L371 PolarHBondContact O-N 3.01Å; V367-P399 HydrophobicContact CG1-CB 4.46Å; V367-P399 HydrophobicContact CG1-CG 4.43Å; V367-P399 HydrophobicContact CG2-CB 4.2Å
368	Q	98.4	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-40.7	179.4	175.6	64.4	93.4	0	0	111.3	F283 G337 F341 F364 I365 E366 L372	F283-Q368 HydrophobicContact CE1-CG 4.15Å; F283-Q368 HydrophobicContact CE2-CG 3.79Å; F283-Q368 HydrophobicContact CZ-CB 4.18Å; F283-Q368 HydrophobicContact CZ-CG 3.5Å; F283-Q368 VanDerWaalsContact CZ-CG 3.5Å; G337-Q368 PolarHBondContact O-NE2 3.46Å; G337-Q368 PolarHBondContact O-OE1 2.93Å; F341-Q368 HydrophobicContact CD1-CB 3.92Å; F341-Q368 HydrophobicContact CD1-CG 4.34Å; F341-Q368 VanDerWaalsContact CD1-OE1 3.31Å; F341-Q368 HydrophobicContact CE1-CB 3.75Å; F364-Q368 HydrophobicContact CE1-CB 4.46Å; F364-Q368 HydrophobicContact CZ-CB 4.33Å; F364-Q368 HydrophobicContact CZ-CG 4.4Å; F364-Q368 WeakPolarHBondContact O-CB 3.37Å; F364-Q368 PolarHBondContact O-N 3.46Å; I365-Q368 PolarHBondContact O-N 3.31Å; E366-Q368 PolarHBondContact O-N 3.04Å; Q368-L372 WeakPolarHBondContact O-CB 3.46Å; Q368-L372 PolarHBondContact O-N 2.77Å; Q368-L372 VanDerWaalsContact O-N 3.09Å
369	A	98.4	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-42	175.5	0	0	0	0	0	111.4	I365 E366 V367 S373 C380 V383 W384 I393	I365-A369 WeakPolarHBondContact O-CB 3.17Å; I365-A369 PolarHBondContact O-N 2.98Å; E366-A369 PolarHBondContact O-N 3.41Å; V367-A369 VanDerWaalsContact C-N 3.3Å; V367-A369 PolarHBondContact O-N 3.38Å; A369-S373 VanDerWaalsContact O-CB 3.29Å; A369-S373 WeakPolarHBondContact O-CB 3.34Å; A369-S373 PolarHBondContact O-N 2.91Å; A369-C380 HydrophobicContact CB-CB 4.46Å; A369-C380 PolarHBondContact O-SG 2.52Å; A369-C380 VanDerWaalsContact O-SG 3.38Å; A369-V383 HydrophobicContact CB-CB 4.4Å; A369-V383 HydrophobicContact CB-CG1 3.9Å; A369-W384 HydrophobicContact CB-CE3 4.46Å; A369-I393 HydrophobicContact CB-CD1 4.13Å
370	L	98.6	Very high	97.4	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.063	12%	0.117	C	C	.	.	H	α-helix	trans	-65.6	-48.9	177.3	-68.5	168.1	0	0	0	112.2	E366 V367 L372 S373 W384 I393 A396 P399	E366-L370 HydrophobicContact CG-CD1 4.48Å; E366-L370 WeakPolarHBondContact O-CG 3.42Å; E366-L370 PolarHBondContact O-N 3.1Å; V367-L370 PolarHBondContact O-N 3.34Å; V367-L370 VanDerWaalsContact O-N 3.14Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.26Å; L370-S373 PolarHBondContact O-N 3.33Å; L370-S373 PolarHBondContact O-OG 2.76Å; L370-W384 HydrophobicContact CD1-CH2 4.16Å; L370-W384 HydrophobicContact CD1-CZ3 4.1Å; L370-W384 HydrophobicContact CD2-CE3 4.47Å; L370-W384 HydrophobicContact CD2-CH2 3.84Å; L370-W384 HydrophobicContact CD2-CZ3 3.74Å; L370-W384 HydrophobicContact CG-CH2 4.12Å; L370-W384 HydrophobicContact CG-CZ3 3.72Å; L370-I393 HydrophobicContact CD2-CD1 4.29Å; L370-I393 HydrophobicContact CD2-CG1 4.03Å; L370-A396 HydrophobicContact CD2-CB 3.56Å; L370-P399 HydrophobicContact CB-CG 4.17Å; L370-P399 HydrophobicContact CD1-CB 3.92Å; L370-P399 HydrophobicContact CD1-CG 4.29Å
371	L	98.4	Very high	97.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-33.1	180	-65.7	-175.9	0	0	0	112.8	I318 C321 Y325 F341 V367 W398 P399	I318-L371 HydrophobicContact CG1-CD2 4.5Å; C321-L371 HydrophobicContact CB-CD1 4.48Å; C321-L371 HydrophobicContact CB-CD2 3.89Å; Y325-L371 PolarHBondContact OH-O 2.7Å; F341-L371 HydrophobicContact CD1-CD1 4.28Å; F341-L371 HydrophobicContact CE1-CD1 4.21Å; V367-L371 HydrophobicContact CG1-CD1 3.81Å; V367-L371 HydrophobicContact CG1-CG 3.96Å; V367-L371 VanDerWaalsContact O-CG 3.32Å; V367-L371 WeakPolarHBondContact O-CG 3.42Å; V367-L371 PolarHBondContact O-N 3.01Å; L371-W398 HydrophobicContact CD2-CH2 3.5Å; L371-W398 VanDerWaalsContact CD2-CH2 3.5Å; L371-W398 HydrophobicContact CD2-CZ2 3.3Å; L371-W398 HydrophobicContact CD2-CZ3 4.41Å; L371-P399 HydrophobicContact CD2-CG 3.93Å
372	L	98.3	Very high	97.9	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-90.1	-16.4	-179.3	-171	65.4	0	0	0	113.2	L254 L280 F338 Q368 L370 P374 I375 C376	L254-L372 HydrophobicContact CD1-CD1 4.42Å; L280-L372 HydrophobicContact CD2-CD2 3.96Å; F338-L372 HydrophobicContact CB-CD1 4.27Å; F338-L372 HydrophobicContact CD2-CD1 4.29Å; F338-L372 HydrophobicContact CD2-CD2 3.82Å; F338-L372 HydrophobicContact CE2-CD2 3.93Å; F338-L372 HydrophobicContact CG-CD1 4.32Å; Q368-L372 WeakPolarHBondContact O-CB 3.46Å; Q368-L372 PolarHBondContact O-N 2.77Å; Q368-L372 VanDerWaalsContact O-N 3.09Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.26Å; L372-P374 VanDerWaalsContact C-N 3.33Å; L372-I375 HydrophobicContact CD1-CB 4.2Å; L372-I375 PolarHBondContact O-N 2.94Å; L372-C376 HydrophobicContact CD2-CB 4.17Å; L372-C376 HydrophobicContact CG-CB 3.99Å; L372-C376 PolarHBondContact O-N 2.9Å
373	S	98.1	Very high	98.1	Very high	28 Å²	28	24 Å²	24	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34	-175.8	67.5	0	0	0	0	115.7	A369 L370 I375 P377	A369-S373 VanDerWaalsContact O-CB 3.29Å; A369-S373 WeakPolarHBondContact O-CB 3.34Å; A369-S373 PolarHBondContact O-N 2.91Å; L370-S373 PolarHBondContact O-N 3.33Å; L370-S373 PolarHBondContact O-OG 2.76Å; S373-I375 PolarHBondContact O-N 3.09Å; S373-P377 WeakPolarHBondContact O-CA 3.38Å; S373-P377 WeakPolarHBondContact O-CB 3.29Å
374	P	98.1	Very high	98.2	Very high	55 Å²	55	22.6 Å²	22.6	36%	0.357	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27	175.2	-21.3	36.1	0	0	0	112.9	R253 Y325 L372	R253-P374 PolarHBondContact NH2-O 3.38Å; Y325-P374 HydrophobicContact CE1-CB 4.15Å; Y325-P374 HydrophobicContact CE1-CG 4.24Å; L372-P374 VanDerWaalsContact C-N 3.33Å
375	I	98.3	Very high	98.2	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.072	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-51.5	-175.7	-53	-55.1	0	0	0	111.3	R253 L254 A257 Y325 F330 V334 L372 S373 P377	R253-I375 VanDerWaalsContact CB-O 3.26Å; R253-I375 WeakPolarHBondContact CB-O 3.14Å; R253-I375 PolarHBondContact NE-O 3.44Å; L254-I375 HydrophobicContact CB-CG2 4.45Å; L254-I375 HydrophobicContact CD1-CG2 4.14Å; A257-I375 HydrophobicContact CB-CD1 3.89Å; A257-I375 HydrophobicContact CB-CG1 4.43Å; A257-I375 HydrophobicContact CB-CG2 3.88Å; Y325-I375 HydrophobicContact CE1-CD1 4.35Å; F330-I375 HydrophobicContact CD1-CD1 4.49Å; V334-I375 HydrophobicContact CG2-CG1 3.98Å; V334-I375 HydrophobicContact CG2-CG2 4.24Å; L372-I375 HydrophobicContact CD1-CB 4.2Å; L372-I375 PolarHBondContact O-N 2.94Å; S373-I375 PolarHBondContact O-N 3.09Å; I375-P377 VanDerWaalsContact C-CD 3.41Å; I375-P377 VanDerWaalsContact O-CD 3.23Å; I375-P377 WeakPolarHBondContact O-CD 3.47Å
376	C	98.5	Very high	98.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	-118.9	67.1	-177.6	-56.4	0	0	0	0	111.7	D250 L372 H378 C380	D250-C376 HydrophobicContact CB-CB 3.93Å; L372-C376 HydrophobicContact CD2-CB 4.17Å; L372-C376 HydrophobicContact CG-CB 3.99Å; L372-C376 PolarHBondContact O-N 2.9Å; C376-H378 VanDerWaalsContact C-N 3.34Å; C376-H378 PolarHBondContact O-N 3.31Å; C376-C380 WeakPolarHBondContact O-CB 3.21Å; C376-C380 PolarHBondContact O-N 2.94Å; C376-C380 VanDerWaalsContact O-N 3.11Å; C376-C380 PolarHBondContact O-SG 3.03Å
377	P	98.5	Very high	98.1	Very high	33 Å²	33	30 Å²	30	21%	0.214	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-33.4	-170.2	24.3	-34.4	0	0	0	113.6	D250 S373 I375 C380 E381	D250-P377 WeakPolarHBondContact OD1-CD 3.45Å; S373-P377 WeakPolarHBondContact O-CA 3.38Å; S373-P377 WeakPolarHBondContact O-CB 3.29Å; I375-P377 VanDerWaalsContact C-CD 3.41Å; I375-P377 VanDerWaalsContact O-CD 3.23Å; I375-P377 WeakPolarHBondContact O-CD 3.47Å; P377-C380 PolarHBondContact O-N 3.39Å; P377-E381 VanDerWaalsContact O-CB 3.24Å; P377-E381 WeakPolarHBondContact O-CB 3.33Å; P377-E381 PolarHBondContact O-N 2.94Å
378	H	98.4	Very high	97.9	Very high	113 Å²	113	32.2 Å²	32.2	52%	0.523	18%	0.182	S	C	.	.	H	α-helix	trans	-73.2	-43.2	-173.5	-48.9	93.4	0	0	0	111.8	D250 C376 T382	D250-H378 IonicContact OD1-CE1 3.42Å; D250-H378 IonicContact OD1-CG 3.61Å; D250-H378 IonicContact OD1-ND1 3.47Å; D250-H378 PolarHBondContact OD1-ND1 2.89Å; D250-H378 WeakPolarHBondContact OD2-CB 3.15Å; D250-H378 PolarHBondContact OD2-N 3.42Å; D250-H378 IonicContact OD2-ND1 3.52Å; C376-H378 VanDerWaalsContact C-N 3.34Å; C376-H378 PolarHBondContact O-N 3.31Å; H378-T382 PolarHBondContact O-N 3.44Å; H378-T382 VanDerWaalsContact O-N 3.17Å; H378-T382 PolarHBondContact O-OG1 3.39Å
379	L	98.3	Very high	97.8	Very high	19 Å²	19	35 Å²	35	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-45.1	172.6	-178.3	145.5	0	0	0	110.6	D250 L280 F283 L284 E381 T382 V383	D250-L379 WeakPolarHBondContact OD2-CB 3.39Å; D250-L379 PolarHBondContact OD2-N 3.43Å; L280-L379 HydrophobicContact CB-CD1 3.74Å; L280-L379 HydrophobicContact CD2-CD1 4.07Å; L280-L379 HydrophobicContact CG-CD1 4.38Å; F283-L379 HydrophobicContact CD1-CD2 3.85Å; F283-L379 HydrophobicContact CE1-CD2 3.94Å; L284-L379 HydrophobicContact CB-CD1 4.4Å; L379-E381 PolarHBondContact O-N 3.4Å; L379-T382 WeakPolarHBondContact O-CA 3.48Å; L379-T382 WeakPolarHBondContact O-CB 3.35Å; L379-T382 PolarHBondContact O-N 2.96Å; L379-T382 VanDerWaalsContact O-N 3.07Å; L379-V383 HydrophobicContact CD2-CG2 3.98Å; L379-V383 PolarHBondContact O-N 3.03Å
380	C	98.5	Very high	97.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-39.3	-178.7	-63.1	0	0	0	0	111.7	A369 C376 P377 T382 V383 W384 I393	A369-C380 HydrophobicContact CB-CB 4.46Å; A369-C380 PolarHBondContact O-SG 2.52Å; A369-C380 VanDerWaalsContact O-SG 3.38Å; C376-C380 WeakPolarHBondContact O-CB 3.21Å; C376-C380 PolarHBondContact O-N 2.94Å; C376-C380 VanDerWaalsContact O-N 3.11Å; C376-C380 PolarHBondContact O-SG 3.03Å; P377-C380 PolarHBondContact O-N 3.39Å; C380-T382 VanDerWaalsContact C-N 3.26Å; C380-T382 PolarHBondContact O-N 2.6Å; C380-V383 PolarHBondContact O-N 3.22Å; C380-W384 VanDerWaalsContact O-CB 3.27Å; C380-W384 WeakPolarHBondContact O-CB 3.48Å; C380-W384 PolarHBondContact O-N 2.71Å; C380-I393 HydrophobicContact CB-CD1 3.84Å
381	E	98.5	Very high	97.6	Very high	34 Å²	34	48.6 Å²	48.6	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-36.4	171.7	177.4	72.8	-168.3	0	0	111.9	P377 L379 K385 S392 I393	P377-E381 VanDerWaalsContact O-CB 3.24Å; P377-E381 WeakPolarHBondContact O-CB 3.33Å; P377-E381 PolarHBondContact O-N 2.94Å; L379-E381 PolarHBondContact O-N 3.4Å; E381-K385 WeakPolarHBondContact O-CG 3.34Å; E381-K385 PolarHBondContact O-N 2.91Å; E381-K385 VanDerWaalsContact O-N 3.15Å; E381-K385 WeakPolarHBondContact OE1-CE 3.46Å; E381-K385 IonicContact OE1-NZ 2.67Å; E381-K385 PolarHBondContact OE1-NZ 2.97Å; E381-S392 WeakPolarHBondContact OE2-CA 3.34Å; E381-S392 WeakPolarHBondContact OE2-CB 3.39Å; E381-S392 PolarHBondContact OE2-OG 3.31Å; E381-I393 HydrophobicContact CB-CG2 4.17Å; E381-I393 WeakPolarHBondContact OE2-CG2 3.39Å; E381-I393 PolarHBondContact OE2-N 3.12Å
382	T	98.2	Very high	97.6	Very high	65 Å²	65	50.4 Å²	50.4	40%	0.399	27%	0.274	S	S	.	.	H	α-helix	trans	-69.2	-46.2	176.1	-57.5	0	0	0	0	111.4	L284 H378 L379 C380 W384 K385 L386	L284-T382 HydrophobicContact CD1-CG2 4.21Å; H378-T382 PolarHBondContact O-N 3.44Å; H378-T382 VanDerWaalsContact O-N 3.17Å; H378-T382 PolarHBondContact O-OG1 3.39Å; L379-T382 WeakPolarHBondContact O-CA 3.48Å; L379-T382 WeakPolarHBondContact O-CB 3.35Å; L379-T382 PolarHBondContact O-N 2.96Å; L379-T382 VanDerWaalsContact O-N 3.07Å; C380-T382 VanDerWaalsContact C-N 3.26Å; C380-T382 PolarHBondContact O-N 2.6Å; T382-W384 VanDerWaalsContact C-N 3.32Å; T382-W384 PolarHBondContact O-N 3.22Å; T382-K385 PolarHBondContact O-N 3.48Å; T382-L386 HydrophobicContact CG2-CD1 4.39Å; T382-L386 WeakPolarHBondContact O-CG 3.14Å; T382-L386 PolarHBondContact O-N 3.18Å
383	V	98.1	Very high	97.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-43.8	175.4	169.4	0	0	0	0	110.8	F283 L284 V287 I365 A369 L379 C380 K385 L386 L387	F283-V383 HydrophobicContact CE1-CG2 4.03Å; L284-V383 HydrophobicContact CD1-CG2 3.99Å; V287-V383 HydrophobicContact CG1-CG1 4.19Å; V287-V383 HydrophobicContact CG2-CG1 4.44Å; V287-V383 HydrophobicContact CG2-CG2 4.5Å; I365-V383 HydrophobicContact CG2-CG1 3.6Å; A369-V383 HydrophobicContact CB-CB 4.4Å; A369-V383 HydrophobicContact CB-CG1 3.9Å; L379-V383 HydrophobicContact CD2-CG2 3.98Å; L379-V383 PolarHBondContact O-N 3.03Å; C380-V383 PolarHBondContact O-N 3.22Å; V383-K385 VanDerWaalsContact C-N 3.32Å; V383-K385 PolarHBondContact O-N 3.28Å; V383-L386 WeakPolarHBondContact O-CB 3.49Å; V383-L386 PolarHBondContact O-N 2.97Å; V383-L386 VanDerWaalsContact O-N 3.08Å; V383-L387 WeakPolarHBondContact O-CG 3.45Å; V383-L387 PolarHBondContact O-N 3.48Å
384	W	98	Very high	97.5	Very high	12 Å²	12	55.1 Å²	55.1	5%	0.045	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-42.5	178	-161.1	-109.3	0	0	0	112.5	E366 A369 L370 C380 T382 L387 H389 T391 I393 A396	E366-W384 HydrophobicContact CG-CE3 4.46Å; E366-W384 HydrophobicContact CG-CH2 3.84Å; E366-W384 HydrophobicContact CG-CZ3 3.46Å; E366-W384 VanDerWaalsContact CG-CZ3 3.46Å; A369-W384 HydrophobicContact CB-CE3 4.46Å; L370-W384 HydrophobicContact CD1-CH2 4.16Å; L370-W384 HydrophobicContact CD1-CZ3 4.1Å; L370-W384 HydrophobicContact CD2-CE3 4.47Å; L370-W384 HydrophobicContact CD2-CH2 3.84Å; L370-W384 HydrophobicContact CD2-CZ3 3.74Å; L370-W384 HydrophobicContact CG-CH2 4.12Å; L370-W384 HydrophobicContact CG-CZ3 3.72Å; C380-W384 VanDerWaalsContact O-CB 3.27Å; C380-W384 WeakPolarHBondContact O-CB 3.48Å; C380-W384 PolarHBondContact O-N 2.71Å; T382-W384 VanDerWaalsContact C-N 3.32Å; T382-W384 PolarHBondContact O-N 3.22Å; W384-L387 PolarHBondContact O-N 3.13Å; W384-H389 VanDerWaalsContact CD1-CB 3.44Å; W384-H389 AromaticContact CD1-CG 3.99Å; W384-H389 HydrophobicContact CD2-CB 4.22Å; W384-H389 AromaticContact CD2-CD2 3.48Å; W384-H389 VanDerWaalsContact CD2-CD2 3.48Å; W384-H389 AromaticContact CD2-CG 3.92Å; W384-H389 AromaticContact CE2-CD2 3.44Å; W384-H389 VanDerWaalsContact CE2-CD2 3.44Å; W384-H389 AromaticContact CE2-CG 3.43Å; W384-H389 VanDerWaalsContact CE2-CG 3.43Å; W384-H389 AromaticContact CE2-ND1 3.91Å; W384-H389 AromaticContact CE2-NE2 3.96Å; W384-H389 AromaticContact CE3-CD2 3.85Å; W384-H389 HydrophobicContact CG-CB 4.05Å; W384-H389 AromaticContact CG-CD2 3.92Å; W384-H389 AromaticContact CH2-CE1 3.84Å; W384-H389 AromaticContact CH2-NE2 3.71Å; W384-H389 HydrophobicContact CZ2-CB 4.37Å; W384-H389 AromaticContact CZ2-CD2 3.75Å; W384-H389 AromaticContact CZ2-CE1 3.71Å; W384-H389 AromaticContact CZ2-CG 3.71Å; W384-H389 AromaticContact CZ2-ND1 3.68Å; W384-H389 AromaticContact CZ2-NE2 3.77Å; W384-H389 AromaticContact CZ3-NE2 3.88Å; W384-H389 AromaticContact NE1-CD2 3.88Å; W384-H389 AromaticContact NE1-CG 3.51Å; W384-H389 PolarHBondContact O-CD2 3.11Å; W384-H389 PolarHBondContact O-N 3.38Å; W384-T391 PolarHBondContact NE1-O 2.86Å; W384-I393 HydrophobicContact CB-CB 4.06Å; W384-I393 HydrophobicContact CB-CD1 4.24Å; W384-I393 HydrophobicContact CB-CG1 4.4Å; W384-I393 HydrophobicContact CD2-CB 4.09Å; W384-I393 HydrophobicContact CD2-CD1 4.07Å; W384-I393 HydrophobicContact CD2-CG1 3.8Å; W384-I393 HydrophobicContact CE3-CD1 3.79Å; W384-I393 HydrophobicContact CE3-CG1 3.92Å; W384-I393 HydrophobicContact CG-CB 3.79Å; W384-I393 HydrophobicContact CG-CD1 4.28Å; W384-I393 HydrophobicContact CG-CG1 4.02Å; W384-A396 HydrophobicContact CH2-CB 4.2Å; W384-A396 HydrophobicContact CZ2-CB 3.82Å
385	K	97.4	Very high	97.5	Very high	124 Å²	124	60.8 Å²	60.8	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-67.4	-39	174.1	-74.4	170.3	-178.1	154.7	0	112.5	E381 T382 V383 L387 G388	E381-K385 WeakPolarHBondContact O-CG 3.34Å; E381-K385 PolarHBondContact O-N 2.91Å; E381-K385 VanDerWaalsContact O-N 3.15Å; E381-K385 WeakPolarHBondContact OE1-CE 3.46Å; E381-K385 IonicContact OE1-NZ 2.67Å; E381-K385 PolarHBondContact OE1-NZ 2.97Å; T382-K385 PolarHBondContact O-N 3.48Å; V383-K385 VanDerWaalsContact C-N 3.32Å; V383-K385 PolarHBondContact O-N 3.28Å; K385-L387 VanDerWaalsContact C-N 3.27Å; K385-L387 PolarHBondContact O-N 3.31Å; K385-G388 WeakPolarHBondContact O-CA 3.38Å; K385-G388 PolarHBondContact O-N 2.64Å
386	L	96.5	Very high	97.5	Very high	63 Å²	63	61.6 Å²	61.6	33%	0.33	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-33.3	177.1	-73.3	171.3	0	0	0	112.3	L284 V287 K288 T382 V383 G388	L284-L386 HydrophobicContact CD1-CD1 3.88Å; V287-L386 HydrophobicContact CG1-CD1 4.37Å; K288-L386 HydrophobicContact CG-CD1 3.88Å; T382-L386 HydrophobicContact CG2-CD1 4.39Å; T382-L386 WeakPolarHBondContact O-CG 3.14Å; T382-L386 PolarHBondContact O-N 3.18Å; V383-L386 WeakPolarHBondContact O-CB 3.49Å; V383-L386 PolarHBondContact O-N 2.97Å; V383-L386 VanDerWaalsContact O-N 3.08Å; L386-G388 PolarHBondContact O-N 3.19Å
387	L	95.2	Very high	97.4	Very high	43 Å²	43	65.5 Å²	65.5	23%	0.225	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7	172.2	-67	178.1	0	0	0	113.6	V291 L362 I365 E366 V383 W384 K385	V291-L387 HydrophobicContact CG2-CD2 4.31Å; L362-L387 HydrophobicContact CD2-CD2 4.11Å; I365-L387 HydrophobicContact CB-CD2 4.4Å; I365-L387 HydrophobicContact CG2-CD1 4.03Å; I365-L387 HydrophobicContact CG2-CD2 3.95Å; I365-L387 HydrophobicContact CG2-CG 4.25Å; E366-L387 HydrophobicContact CB-CD1 3.98Å; E366-L387 HydrophobicContact CG-CD1 4.34Å; V383-L387 WeakPolarHBondContact O-CG 3.45Å; V383-L387 PolarHBondContact O-N 3.48Å; W384-L387 PolarHBondContact O-N 3.13Å; K385-L387 VanDerWaalsContact C-N 3.27Å; K385-L387 PolarHBondContact O-N 3.31Å
388	G	95.1	Very high	97.4	Very high	56 Å²	56	68.6 Å²	68.6	58%	0.577	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	8.9	176.5	0	0	0	0	0	115.1	K385 L386	K385-G388 WeakPolarHBondContact O-CA 3.38Å; K385-G388 PolarHBondContact O-N 2.64Å; L386-G388 PolarHBondContact O-N 3.19Å
389	H	96.4	Very high	97.3	Very high	59 Å²	59	63.9 Å²	63.9	27%	0.273	35%	0.348	S	S	.	.			trans	-68.3	137.6	175.5	-63	-79.5	0	0	0	111.6	E366 W384	E366-H389 IonicContact OE1-CE1 3.62Å; W384-H389 VanDerWaalsContact CD1-CB 3.44Å; W384-H389 AromaticContact CD1-CG 3.99Å; W384-H389 HydrophobicContact CD2-CB 4.22Å; W384-H389 AromaticContact CD2-CD2 3.48Å; W384-H389 VanDerWaalsContact CD2-CD2 3.48Å; W384-H389 AromaticContact CD2-CG 3.92Å; W384-H389 AromaticContact CE2-CD2 3.44Å; W384-H389 VanDerWaalsContact CE2-CD2 3.44Å; W384-H389 AromaticContact CE2-CG 3.43Å; W384-H389 VanDerWaalsContact CE2-CG 3.43Å; W384-H389 AromaticContact CE2-ND1 3.91Å; W384-H389 AromaticContact CE2-NE2 3.96Å; W384-H389 AromaticContact CE3-CD2 3.85Å; W384-H389 HydrophobicContact CG-CB 4.05Å; W384-H389 AromaticContact CG-CD2 3.92Å; W384-H389 AromaticContact CH2-CE1 3.84Å; W384-H389 AromaticContact CH2-NE2 3.71Å; W384-H389 HydrophobicContact CZ2-CB 4.37Å; W384-H389 AromaticContact CZ2-CD2 3.75Å; W384-H389 AromaticContact CZ2-CE1 3.71Å; W384-H389 AromaticContact CZ2-CG 3.71Å; W384-H389 AromaticContact CZ2-ND1 3.68Å; W384-H389 AromaticContact CZ2-NE2 3.77Å; W384-H389 AromaticContact CZ3-NE2 3.88Å; W384-H389 AromaticContact NE1-CD2 3.88Å; W384-H389 AromaticContact NE1-CG 3.51Å; W384-H389 PolarHBondContact O-CD2 3.11Å; W384-H389 PolarHBondContact O-N 3.38Å
390	K	96.2	Very high	97.1	Very high	213 Å²	213	67 Å²	67	93%	0.926	38%	0.377	S	S	*	.	S	Bend	trans	-88.3	-23.1	-175.6	-62.1	-176.5	-178.4	178.6	0	114.1
391	T	97.2	Very high	96.8	Very high	84 Å²	84	69.9 Å²	69.9	52%	0.515	40%	0.396	S	S	.	.	S	Bend	trans	-101	150.8	179.4	54	0	0	0	0	110.2	W384	W384-T391 PolarHBondContact NE1-O 2.86Å
392	S	97.9	Very high	96.6	Very high	40 Å²	40	73.9 Å²	73.9	28%	0.28	41%	0.41	S	S	.	.			trans	-58.2	146.5	172.4	171.1	0	0	0	0	111	E381 V394 K395	E381-S392 WeakPolarHBondContact OE2-CA 3.34Å; E381-S392 WeakPolarHBondContact OE2-CB 3.39Å; E381-S392 PolarHBondContact OE2-OG 3.31Å; S392-V394 PolarHBondContact O-N 3.24Å; S392-V394 PolarHBondContact OG-N 3.21Å; S392-K395 PolarHBondContact O-N 3.47Å
393	I	98.2	Very high	96.4	Very high	7 Å²	7	76.7 Å²	76.7	4%	0.036	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-61.3	-24.9	177.6	-161.3	172.6	0	0	0	112	A369 L370 C380 E381 W384 K395 A396	A369-I393 HydrophobicContact CB-CD1 4.13Å; L370-I393 HydrophobicContact CD2-CD1 4.29Å; L370-I393 HydrophobicContact CD2-CG1 4.03Å; C380-I393 HydrophobicContact CB-CD1 3.84Å; E381-I393 HydrophobicContact CB-CG2 4.17Å; E381-I393 WeakPolarHBondContact OE2-CG2 3.39Å; E381-I393 PolarHBondContact OE2-N 3.12Å; W384-I393 HydrophobicContact CB-CB 4.06Å; W384-I393 HydrophobicContact CB-CD1 4.24Å; W384-I393 HydrophobicContact CB-CG1 4.4Å; W384-I393 HydrophobicContact CD2-CB 4.09Å; W384-I393 HydrophobicContact CD2-CD1 4.07Å; W384-I393 HydrophobicContact CD2-CG1 3.8Å; W384-I393 HydrophobicContact CE3-CD1 3.79Å; W384-I393 HydrophobicContact CE3-CG1 3.92Å; W384-I393 HydrophobicContact CG-CB 3.79Å; W384-I393 HydrophobicContact CG-CD1 4.28Å; W384-I393 HydrophobicContact CG-CG1 4.02Å; I393-K395 PolarHBondContact O-N 3.5Å; I393-K395 VanDerWaalsContact O-N 3.1Å; I393-A396 HydrophobicContact CG1-CB 4.31Å; I393-A396 WeakPolarHBondContact O-CB 3.4Å; I393-A396 PolarHBondContact O-N 3.32Å
394	V	96.5	Very high	96.3	Very high	123 Å²	123	78 Å²	78	75%	0.745	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-60.4	-23	176.1	179.7	0	0	0	0	112.2	S392	S392-V394 PolarHBondContact O-N 3.24Å; S392-V394 PolarHBondContact OG-N 3.21Å
395	K	97.2	Very high	96.2	Very high	174 Å²	174	80.8 Å²	80.8	76%	0.757	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-96	-1	176.2	-61.4	-174.2	178.1	-176	0	113.2	S392 I393	S392-K395 PolarHBondContact O-N 3.47Å; I393-K395 PolarHBondContact O-N 3.5Å; I393-K395 VanDerWaalsContact O-N 3.1Å
396	A	97.6	Very high	96	Very high	32 Å²	32	80.1 Å²	80.1	26%	0.264	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-73.7	147.5	-179.6	0	0	0	0	0	110.6	L370 W384 I393	L370-A396 HydrophobicContact CD2-CB 3.56Å; W384-A396 HydrophobicContact CH2-CB 4.2Å; W384-A396 HydrophobicContact CZ2-CB 3.82Å; I393-A396 HydrophobicContact CG1-CB 4.31Å; I393-A396 WeakPolarHBondContact O-CB 3.4Å; I393-A396 PolarHBondContact O-N 3.32Å
397	A	97.5	Very high	95.8	Very high	82 Å²	82	80.1 Å²	80.1	68%	0.678	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-75.7	155.1	170.5	0	0	0	0	0	110.3
398	W	97.7	Very high	95.8	Very high	97 Å²	97	78.8 Å²	78.8	37%	0.367	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-58.2	141	169.2	-167.3	-106.1	0	0	0	110.5	C321 T322 Y325 L371 A400	C321-W398 HydrophobicContact CB-CZ2 4.31Å; T322-W398 PolarHBondContact OG1-NE1 2.88Å; Y325-W398 AromaticContact CD2-CH2 3.52Å; Y325-W398 HydrophobicContact CD2-CH2 3.52Å; Y325-W398 HydrophobicContact CD2-CZ2 4.03Å; Y325-W398 HydrophobicContact CD2-CZ3 4.4Å; Y325-W398 AromaticContact CE2-CH2 3.58Å; Y325-W398 HydrophobicContact CE2-CH2 3.58Å; Y325-W398 HydrophobicContact CE2-CZ2 4.4Å; Y325-W398 HydrophobicContact CE2-CZ3 4.41Å; L371-W398 HydrophobicContact CD2-CH2 3.5Å; L371-W398 VanDerWaalsContact CD2-CH2 3.5Å; L371-W398 HydrophobicContact CD2-CZ2 3.3Å; L371-W398 HydrophobicContact CD2-CZ3 4.41Å; W398-A400 PolarHBondContact O-N 2.9Å
399	P	97.2	Very high	95.6	Very high	14 Å²	14	77.2 Å²	77.2	9%	0.091	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-61.8	137.4	-173.8	22.7	-33.6	0	0	0	112	I318 V367 L370 L371 C401	I318-P399 HydrophobicContact CD1-CB 4Å; I318-P399 HydrophobicContact CD1-CG 4.37Å; I318-P399 HydrophobicContact CG1-CB 4.22Å; I318-P399 HydrophobicContact CG1-CG 4.03Å; I318-P399 HydrophobicContact CG2-CB 4.49Å; I318-P399 HydrophobicContact CG2-CG 4.09Å; I318-P399 WeakPolarHBondContact CG2-O 3.27Å; V367-P399 HydrophobicContact CG1-CB 4.46Å; V367-P399 HydrophobicContact CG1-CG 4.43Å; V367-P399 HydrophobicContact CG2-CB 4.2Å; L370-P399 HydrophobicContact CB-CG 4.17Å; L370-P399 HydrophobicContact CD1-CB 3.92Å; L370-P399 HydrophobicContact CD1-CG 4.29Å; L371-P399 HydrophobicContact CD2-CG 3.93Å; P399-C401 PolarHBondContact O-N 3.44Å
400	A	93.6	Very high	95.3	Very high	85 Å²	85	77.8 Å²	77.8	70%	0.702	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-69.3	126.7	177.6	0	0	0	0	0	111.2	W398	W398-A400 PolarHBondContact O-N 2.9Å
401	C	92.9	Very high	95.2	Very high	60 Å²	60	69 Å²	69	41%	0.405	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-91.8	124.8	176	-166.1	0	0	0	0	110.6	N315 I318 P399	N315-C401 PolarHBondContact O-SG 3.46Å; I318-C401 HydrophobicContact CB-CB 4.42Å; I318-C401 HydrophobicContact CG2-CB 3.81Å; P399-C401 PolarHBondContact O-N 3.44Å
402	R	93.4	Very high	95	Very high	119 Å²	119	65.2 Å²	65.2	45%	0.449	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-84.7	161.8	166	-50.9	-177.4	-145.7	153.2	4.6	109.6	D311 N315 R363 V404	D311-R402 IonicContact OD1-CZ 2.7Å; D311-R402 IonicContact OD1-NH1 2.84Å; D311-R402 PolarHBondContact OD1-NH1 3.13Å; D311-R402 IonicContact OD1-NH2 3.88Å; D311-R402 PolarHBondContact OD1-NH2 2.92Å; D311-R402 IonicContact OD2-CZ 3.76Å; D311-R402 IonicContact OD2-NH1 3.17Å; D311-R402 PolarHBondContact OD2-NH1 2.97Å; D311-R402 IonicContact OD2-NH2 3.83Å; N315-R402 WeakPolarHBondContact OD1-CB 3.38Å; N315-R402 PolarHBondContact OD1-N 2.91Å; N315-R402 VanDerWaalsContact OD1-N 3.14Å; R363-R402 VanDerWaalsContact CZ-CZ 3.46Å; R402-V404 PolarHBondContact O-N 3.16Å
403	P	94.8	Very high	94.7	Very high	123 Å²	123	65.7 Å²	65.7	80%	0.799	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-54.5	133.9	175.1	-25.3	34.8	0	0	0	111.8
404	V	96	Very high	94.4	Very high	27 Å²	27	66.1 Å²	66.1	16%	0.164	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-82	127.9	176.4	-180	0	0	0	0	109	N312 N315 R316 R402 E406 I409	N312-V404 WeakPolarHBondContact OD1-CA 3.42Å; N315-V404 HydrophobicContact CB-CG2 4.22Å; R316-V404 HydrophobicContact CB-CG1 4.07Å; R316-V404 HydrophobicContact CB-CG2 4.17Å; R316-V404 HydrophobicContact CG-CG1 4.22Å; R402-V404 PolarHBondContact O-N 3.16Å; V404-E406 PolarHBondContact O-N 3.33Å; V404-I409 HydrophobicContact CG1-CD1 3.56Å
405	D	95.5	Very high	94.3	Very high	72 Å²	72	60.3 Å²	60.3	39%	0.385	33%	0.333	S	S	.	.			trans	-87.1	103.3	174.3	-173	-20.4	0	0	0	110	N312 L407 L408 I409	N312-D405 PolarHBondContact ND2-O 2.76Å; N312-D405 PolarHBondContact OD1-N 3.32Å; D405-L407 PolarHBondContact O-N 2.94Å; D405-L407 WeakPolarHBondContact OD1-CA 3.24Å; D405-L407 WeakPolarHBondContact OD1-CB 3.42Å; D405-L407 PolarHBondContact OD1-N 3.4Å; D405-L408 HydrophobicContact CB-CB 4.2Å; D405-L408 HydrophobicContact CB-CD1 3.96Å; D405-L408 HydrophobicContact CB-CG 4.2Å; D405-L408 PolarHBondContact O-N 2.95Å; D405-L408 PolarHBondContact OD1-N 3.45Å; D405-I409 PolarHBondContact O-N 3.33Å
406	E	92.9	Very high	94	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.514	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-26.7	177.6	-68.7	-63.2	161.1	0	0	113.2	V404 I409 K410	V404-E406 PolarHBondContact O-N 3.33Å; E406-I409 PolarHBondContact O-N 3.47Å; E406-K410 WeakPolarHBondContact O-CG 3.49Å; E406-K410 PolarHBondContact O-N 3.41Å; E406-K410 VanDerWaalsContact O-N 3.14Å
407	L	92.8	Very high	93.7	Very high	63 Å²	63	58.1 Å²	58.1	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-69.3	-43.3	177.9	-172.8	64.6	0	0	0	110.7	D405 I409 K410 Q411 D522 F523	D405-L407 PolarHBondContact O-N 2.94Å; D405-L407 WeakPolarHBondContact OD1-CA 3.24Å; D405-L407 WeakPolarHBondContact OD1-CB 3.42Å; D405-L407 PolarHBondContact OD1-N 3.4Å; L407-I409 VanDerWaalsContact C-N 3.26Å; L407-I409 PolarHBondContact O-N 3.26Å; L407-K410 WeakPolarHBondContact O-CB 3.35Å; L407-K410 PolarHBondContact O-N 3.34Å; L407-Q411 WeakPolarHBondContact O-CG 3.42Å; L407-Q411 PolarHBondContact O-N 3.28Å; L407-D522 HydrophobicContact CD1-CB 3.73Å; L407-F523 HydrophobicContact CD1-CB 4.1Å; L407-F523 HydrophobicContact CD1-CD1 3.92Å; L407-F523 HydrophobicContact CD1-CG 4.5Å
408	L	94.5	Very high	93.5	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-35.5	175.8	-78.8	174.9	0	0	0	112.1	F305 R308 V309 N312 D405 Q411 C412	F305-L408 HydrophobicContact CD2-CD2 4.5Å; F305-L408 HydrophobicContact CE2-CD2 4.12Å; R308-L408 HydrophobicContact CB-CD1 4.17Å; R308-L408 HydrophobicContact CB-CD2 4.32Å; V309-L408 HydrophobicContact CG2-CD2 4.25Å; N312-L408 HydrophobicContact CB-CD1 4.08Å; D405-L408 HydrophobicContact CB-CB 4.2Å; D405-L408 HydrophobicContact CB-CD1 3.96Å; D405-L408 HydrophobicContact CB-CG 4.2Å; D405-L408 PolarHBondContact O-N 2.95Å; D405-L408 PolarHBondContact OD1-N 3.45Å; L408-Q411 PolarHBondContact O-N 3.42Å; L408-C412 WeakPolarHBondContact O-CB 3.41Å; L408-C412 PolarHBondContact O-N 2.85Å
409	I	91.9	Very high	93.2	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.118	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-46.5	175.4	-65.1	167.7	0	0	0	110.3	R316 V404 D405 E406 L407 Q411 C412 S413	R316-I409 HydrophobicContact CG-CD1 4.38Å; V404-I409 HydrophobicContact CG1-CD1 3.56Å; D405-I409 PolarHBondContact O-N 3.33Å; E406-I409 PolarHBondContact O-N 3.47Å; L407-I409 VanDerWaalsContact C-N 3.26Å; L407-I409 PolarHBondContact O-N 3.26Å; I409-Q411 PolarHBondContact O-N 3.41Å; I409-C412 PolarHBondContact O-N 3.06Å; I409-S413 PolarHBondContact O-N 2.88Å
410	K	89.7	Confident	93	Very high	71 Å²	71	55.4 Å²	55.4	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.3	-72.6	177.7	169.3	-171.7	0	111.7	E406 L407 S413 Y414 D515 D522 F523	E406-K410 WeakPolarHBondContact O-CG 3.49Å; E406-K410 PolarHBondContact O-N 3.41Å; E406-K410 VanDerWaalsContact O-N 3.14Å; L407-K410 WeakPolarHBondContact O-CB 3.35Å; L407-K410 PolarHBondContact O-N 3.34Å; K410-S413 PolarHBondContact O-N 2.93Å; K410-Y414 WeakPolarHBondContact O-CB 3.39Å; K410-Y414 PolarHBondContact O-N 3.49Å; K410-D515 IonicContact NZ-OD2 2.86Å; K410-D515 PolarHBondContact NZ-OD2 2.8Å; K410-D522 IonicContact NZ-OD2 2.7Å; K410-D522 PolarHBondContact NZ-OD2 3.02Å; K410-F523 HydrophobicContact CB-CE1 4.22Å
411	Q	93.7	Very high	92.9	Very high	28 Å²	28	53.4 Å²	53.4	13%	0.131	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.7	-71.3	175.9	-27.3	0	0	112.3	F305 L407 L408 I409 Y414 L415 F523 L528	F305-Q411 HydrophobicContact CE2-CB 3.84Å; F305-Q411 HydrophobicContact CZ-CB 3.79Å; L407-Q411 WeakPolarHBondContact O-CG 3.42Å; L407-Q411 PolarHBondContact O-N 3.28Å; L408-Q411 PolarHBondContact O-N 3.42Å; I409-Q411 PolarHBondContact O-N 3.41Å; Q411-Y414 PolarHBondContact O-N 3.2Å; Q411-L415 PolarHBondContact O-N 2.83Å; Q411-F523 HydrophobicContact CG-CB 4.09Å; Q411-F523 HydrophobicContact CG-CD1 3.59Å; Q411-F523 HydrophobicContact CG-CD2 3.86Å; Q411-F523 HydrophobicContact CG-CE1 3.91Å; Q411-F523 HydrophobicContact CG-CE2 4.16Å; Q411-F523 HydrophobicContact CG-CG 3.56Å; Q411-F523 HydrophobicContact CG-CZ 4.18Å; Q411-F523 VanDerWaalsContact NE2-CB 3.33Å; Q411-L528 HydrophobicContact CB-CD1 4.36Å; Q411-L528 HydrophobicContact CB-CD2 3.93Å; Q411-L528 HydrophobicContact CG-CD2 4.11Å
412	C	93.7	Very high	93	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-51.3	176	-179.1	0	0	0	0	111.3	V309 W351 L408 I409 Y414 L415 E416	V309-C412 HydrophobicContact CG1-CB 3.81Å; V309-C412 HydrophobicContact CG2-CB 4.26Å; W351-C412 HydrophobicContact CH2-CB 4.48Å; L408-C412 WeakPolarHBondContact O-CB 3.41Å; L408-C412 PolarHBondContact O-N 2.85Å; I409-C412 PolarHBondContact O-N 3.06Å; C412-Y414 VanDerWaalsContact C-N 3.29Å; C412-Y414 PolarHBondContact O-N 2.66Å; C412-L415 PolarHBondContact O-N 3.01Å; C412-L415 VanDerWaalsContact O-N 3.17Å; C412-E416 PolarHBondContact O-N 3.1Å
413	S	91.8	Very high	92.9	Very high	50 Å²	50	49.9 Å²	49.9	35%	0.35	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-39.3	178.6	175.8	0	0	0	0	112	I409 K410 E416 D417	I409-S413 PolarHBondContact O-N 2.88Å; K410-S413 PolarHBondContact O-N 2.93Å; S413-E416 PolarHBondContact O-N 3.05Å; S413-D417 PolarHBondContact O-N 3.3Å
414	Y	91.8	Very high	92.8	Very high	16 Å²	16	47.6 Å²	47.6	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-48.2	173.9	168.2	-92.9	0	0	0	111.9	K410 Q411 C412 E416 D417 V418 F523 E525 L528 L529 P560	K410-Y414 WeakPolarHBondContact O-CB 3.39Å; K410-Y414 PolarHBondContact O-N 3.49Å; Q411-Y414 PolarHBondContact O-N 3.2Å; C412-Y414 VanDerWaalsContact C-N 3.29Å; C412-Y414 PolarHBondContact O-N 2.66Å; Y414-E416 VanDerWaalsContact C-N 3.31Å; Y414-E416 PolarHBondContact O-N 3.35Å; Y414-D417 PolarHBondContact O-N 2.88Å; Y414-V418 HydrophobicContact CD1-CG2 4.19Å; Y414-V418 HydrophobicContact CD2-CG2 4.08Å; Y414-V418 HydrophobicContact CE1-CG2 3.83Å; Y414-V418 HydrophobicContact CE2-CG2 3.72Å; Y414-V418 HydrophobicContact CG-CG2 4.33Å; Y414-V418 WeakPolarHBondContact O-CB 3.35Å; Y414-V418 VanDerWaalsContact O-CG2 3.28Å; Y414-V418 WeakPolarHBondContact O-CG2 3.33Å; Y414-V418 PolarHBondContact O-N 3.32Å; Y414-F523 AromaticContact CD1-CE2 3.99Å; Y414-F523 HydrophobicContact CD1-CE2 3.99Å; Y414-F523 HydrophobicContact CD1-CZ 4.14Å; Y414-F523 HydrophobicContact CD2-CZ 4.2Å; Y414-F523 HydrophobicContact CE1-CE2 4.36Å; Y414-F523 HydrophobicContact CG-CE2 4.07Å; Y414-F523 AromaticContact CG-CZ 3.77Å; Y414-F523 HydrophobicContact CG-CZ 3.77Å; Y414-E525 HydrophobicContact CE2-CG 4.2Å; Y414-E525 WeakPolarHBondContact CE2-OE1 3.45Å; Y414-E525 PolarHBondContact OH-OE1 3.15Å; Y414-E525 PolarHBondContact OH-OE2 3.47Å; Y414-E525 VanDerWaalsContact OH-OE2 3.12Å; Y414-L528 HydrophobicContact CD1-CD2 3.58Å; Y414-L528 HydrophobicContact CE1-CD2 3.99Å; Y414-L529 HydrophobicContact CE1-CD2 4.25Å; Y414-L529 HydrophobicContact CE1-CG 4.44Å; Y414-P560 WeakPolarHBondContact OH-CD 3.22Å; Y414-P560 WeakPolarHBondContact OH-CG 3.43Å
415	L	93.1	Very high	92.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-38.7	-177.8	-173.3	62	0	0	0	111.6	F305 W351 Q411 C412 V418 L419 L529 N532 I536	F305-L415 HydrophobicContact CD1-CD2 4.17Å; F305-L415 HydrophobicContact CE1-CD2 3.73Å; W351-L415 HydrophobicContact CD2-CD2 4.45Å; W351-L415 HydrophobicContact CE3-CD2 4.12Å; W351-L415 HydrophobicContact CH2-CB 4Å; W351-L415 HydrophobicContact CH2-CD2 3.79Å; W351-L415 HydrophobicContact CH2-CG 4.14Å; W351-L415 HydrophobicContact CZ2-CB 4.46Å; W351-L415 HydrophobicContact CZ2-CD2 4.12Å; W351-L415 HydrophobicContact CZ2-CG 4.29Å; W351-L415 HydrophobicContact CZ3-CD2 3.8Å; Q411-L415 PolarHBondContact O-N 2.83Å; C412-L415 PolarHBondContact O-N 3.01Å; C412-L415 VanDerWaalsContact O-N 3.17Å; L415-V418 PolarHBondContact O-N 3.27Å; L415-L419 HydrophobicContact CD1-CD1 4.34Å; L415-L419 HydrophobicContact CD1-CG 4.42Å; L415-L419 HydrophobicContact CG-CD1 3.98Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 WeakPolarHBondContact O-CD1 3.29Å; L415-L419 VanDerWaalsContact O-CG 3.25Å; L415-L419 WeakPolarHBondContact O-CG 3.26Å; L415-L419 PolarHBondContact O-N 3.33Å; L415-L529 HydrophobicContact CD1-CD2 4.17Å; L415-N532 HydrophobicContact CD1-CB 4.48Å; L415-N532 HydrophobicContact CD2-CB 4.07Å; L415-I536 HydrophobicContact CD1-CD1 4.34Å
416	E	92.4	Very high	92.3	Very high	72 Å²	72	47.5 Å²	47.5	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-48.9	173.4	-71.6	-176	136.4	0	0	112.3	R347 W351 C412 S413 Y414 V418 L419 H420	R347-E416 IonicContact CZ-OE1 3.48Å; R347-E416 IonicContact NE-OE1 3.55Å; R347-E416 PolarHBondContact NE-OE1 2.88Å; R347-E416 IonicContact NH2-OE1 3.98Å; R347-E416 PolarHBondContact NH2-OE1 3.46Å; R347-E416 IonicContact NH2-OE2 2.76Å; W351-E416 HydrophobicContact CH2-CG 4.05Å; W351-E416 HydrophobicContact CZ2-CG 3.66Å; C412-E416 PolarHBondContact O-N 3.1Å; S413-E416 PolarHBondContact O-N 3.05Å; Y414-E416 VanDerWaalsContact C-N 3.31Å; Y414-E416 PolarHBondContact O-N 3.35Å; E416-V418 VanDerWaalsContact C-N 3.31Å; E416-V418 PolarHBondContact O-N 2.91Å; E416-L419 PolarHBondContact O-N 3.17Å; E416-H420 WeakPolarHBondContact O-CB 3.46Å; E416-H420 PolarHBondContact O-N 2.69Å
417	D	90.7	Very high	92	Very high	89 Å²	89	49.9 Å²	49.9	48%	0.476	24%	0.24	S	C	.	.	H	α-helix	trans	-59.7	-43.2	178.5	-78.1	-13.4	0	0	0	111.1	S413 Y414 H420 D421	S413-D417 PolarHBondContact O-N 3.3Å; Y414-D417 PolarHBondContact O-N 2.88Å; D417-H420 PolarHBondContact O-N 3.48Å; D417-D421 PolarHBondContact O-N 3.28Å
418	V	92.7	Very high	91.8	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-47.4	179.2	169.3	0	0	0	0	111.6	Y414 L415 E416 H420 D421 F422 L529 P560	Y414-V418 HydrophobicContact CD1-CG2 4.19Å; Y414-V418 HydrophobicContact CD2-CG2 4.08Å; Y414-V418 HydrophobicContact CE1-CG2 3.83Å; Y414-V418 HydrophobicContact CE2-CG2 3.72Å; Y414-V418 HydrophobicContact CG-CG2 4.33Å; Y414-V418 WeakPolarHBondContact O-CB 3.35Å; Y414-V418 VanDerWaalsContact O-CG2 3.28Å; Y414-V418 WeakPolarHBondContact O-CG2 3.33Å; Y414-V418 PolarHBondContact O-N 3.32Å; L415-V418 PolarHBondContact O-N 3.27Å; E416-V418 VanDerWaalsContact C-N 3.31Å; E416-V418 PolarHBondContact O-N 2.91Å; V418-H420 VanDerWaalsContact C-N 3.29Å; V418-H420 PolarHBondContact O-N 3.36Å; V418-D421 PolarHBondContact O-N 3.07Å; V418-F422 HydrophobicContact CG1-CD1 4.12Å; V418-F422 HydrophobicContact CG1-CD2 3.93Å; V418-F422 HydrophobicContact CG1-CE1 3.64Å; V418-F422 HydrophobicContact CG1-CE2 3.42Å; V418-F422 VanDerWaalsContact CG1-CE2 3.42Å; V418-F422 HydrophobicContact CG1-CG 4.27Å; V418-F422 HydrophobicContact CG1-CZ 3.26Å; V418-F422 WeakPolarHBondContact O-CB 3.48Å; V418-F422 WeakPolarHBondContact O-CD1 3.39Å; V418-F422 VanDerWaalsContact O-CG 3.24Å; V418-F422 WeakPolarHBondContact O-CG 3.16Å; V418-F422 PolarHBondContact O-N 3.08Å; V418-L529 HydrophobicContact CG1-CD2 4.12Å; V418-P560 HydrophobicContact CB-CG 4.35Å; V418-P560 HydrophobicContact CG1-CG 3.79Å; V418-P560 HydrophobicContact CG2-CG 3.54Å
419	L	92.1	Very high	91.3	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-38.6	177.9	-76	166.2	0	0	0	111.8	L415 E416 F422 R423 Y535 I536	L415-L419 HydrophobicContact CD1-CD1 4.34Å; L415-L419 HydrophobicContact CD1-CG 4.42Å; L415-L419 HydrophobicContact CG-CD1 3.98Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 WeakPolarHBondContact O-CD1 3.29Å; L415-L419 VanDerWaalsContact O-CG 3.25Å; L415-L419 WeakPolarHBondContact O-CG 3.26Å; L415-L419 PolarHBondContact O-N 3.33Å; E416-L419 PolarHBondContact O-N 3.17Å; L419-F422 PolarHBondContact O-N 3.32Å; L419-R423 VanDerWaalsContact O-CG 3.31Å; L419-R423 WeakPolarHBondContact O-CG 3.32Å; L419-R423 PolarHBondContact O-N 3.17Å; L419-Y535 HydrophobicContact CD1-CD1 4.2Å; L419-Y535 HydrophobicContact CD1-CE1 3.46Å; L419-Y535 VanDerWaalsContact CD1-CE1 3.46Å; L419-Y535 HydrophobicContact CD2-CE1 4.44Å; L419-I536 HydrophobicContact CD2-CB 4.46Å; L419-I536 HydrophobicContact CD2-CG1 3.91Å
420	H	93	Very high	90.6	Very high	125 Å²	125	53.4 Å²	53.4	58%	0.579	28%	0.276	S	S	*	.	H	α-helix	trans	-61.7	-49.8	174	-174.5	78.4	0	0	0	111.3	E416 D417 V418 F422 R423 V424	E416-H420 WeakPolarHBondContact O-CB 3.46Å; E416-H420 PolarHBondContact O-N 2.69Å; D417-H420 PolarHBondContact O-N 3.48Å; V418-H420 VanDerWaalsContact C-N 3.29Å; V418-H420 PolarHBondContact O-N 3.36Å; H420-F422 VanDerWaalsContact C-N 3.32Å; H420-F422 PolarHBondContact O-N 3.11Å; H420-R423 PolarHBondContact O-N 2.95Å; H420-V424 WeakPolarHBondContact O-CG2 3.28Å; H420-V424 PolarHBondContact O-N 3.02Å
421	D	92.2	Very high	90	Very high	42 Å²	42	54 Å²	54	23%	0.225	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-42.1	177.5	-172.6	48.6	0	0	0	111.8	D417 V418 R423 V424 R425	D417-D421 PolarHBondContact O-N 3.28Å; V418-D421 PolarHBondContact O-N 3.07Å; D421-R423 PolarHBondContact O-N 3.38Å; D421-V424 PolarHBondContact O-N 3.05Å; D421-R425 VanDerWaalsContact CG-NE 3.29Å; D421-R425 WeakPolarHBondContact O-CG 3.4Å; D421-R425 PolarHBondContact O-N 3.34Å; D421-R425 IonicContact OD1-NE 2.93Å; D421-R425 PolarHBondContact OD1-NE 3.41Å; D421-R425 IonicContact OD1-NH2 2.74Å; D421-R425 IonicContact OD2-CZ 3.65Å; D421-R425 IonicContact OD2-NE 3.13Å; D421-R425 PolarHBondContact OD2-NE 3.36Å; D421-R425 IonicContact OD2-NH2 3.51Å; D421-R425 PolarHBondContact OD2-NH2 2.88Å
422	F	93.9	Very high	88.9	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-44.7	178.4	-69.8	0.8	0	0	0	111.8	V418 L419 H420 V424 R425 Q426 V448 I536 L540 P560 I562	V418-F422 HydrophobicContact CG1-CD1 4.12Å; V418-F422 HydrophobicContact CG1-CD2 3.93Å; V418-F422 HydrophobicContact CG1-CE1 3.64Å; V418-F422 HydrophobicContact CG1-CE2 3.42Å; V418-F422 VanDerWaalsContact CG1-CE2 3.42Å; V418-F422 HydrophobicContact CG1-CG 4.27Å; V418-F422 HydrophobicContact CG1-CZ 3.26Å; V418-F422 WeakPolarHBondContact O-CB 3.48Å; V418-F422 WeakPolarHBondContact O-CD1 3.39Å; V418-F422 VanDerWaalsContact O-CG 3.24Å; V418-F422 WeakPolarHBondContact O-CG 3.16Å; V418-F422 PolarHBondContact O-N 3.08Å; L419-F422 PolarHBondContact O-N 3.32Å; H420-F422 VanDerWaalsContact C-N 3.32Å; H420-F422 PolarHBondContact O-N 3.11Å; F422-V424 PolarHBondContact O-N 3Å; F422-R425 PolarHBondContact O-N 2.85Å; F422-Q426 WeakPolarHBondContact O-CB 3.49Å; F422-Q426 PolarHBondContact O-N 3.46Å; F422-V448 HydrophobicContact CE2-CG1 4.25Å; F422-V448 HydrophobicContact CE2-CG2 3.76Å; F422-V448 HydrophobicContact CZ-CB 4.4Å; F422-V448 HydrophobicContact CZ-CG1 3.63Å; F422-V448 HydrophobicContact CZ-CG2 3.83Å; F422-I536 HydrophobicContact CD2-CG2 4.3Å; F422-I536 HydrophobicContact CE2-CG2 4.46Å; F422-L540 HydrophobicContact CB-CD1 4.08Å; F422-L540 HydrophobicContact CB-CD2 4.1Å; F422-L540 HydrophobicContact CD2-CD1 4.15Å; F422-P560 HydrophobicContact CE1-CG 4.23Å; F422-P560 HydrophobicContact CZ-CB 4.37Å; F422-P560 HydrophobicContact CZ-CG 4.07Å; F422-I562 HydrophobicContact CB-CD1 4.26Å; F422-I562 HydrophobicContact CB-CG2 4.28Å; F422-I562 HydrophobicContact CD1-CB 3.71Å; F422-I562 HydrophobicContact CD1-CD1 4.26Å; F422-I562 HydrophobicContact CD1-CG2 3.37Å; F422-I562 HydrophobicContact CD2-CD1 3.76Å; F422-I562 HydrophobicContact CE1-CB 3.68Å; F422-I562 HydrophobicContact CE1-CG2 3.82Å; F422-I562 HydrophobicContact CE2-CD1 4.1Å; F422-I562 HydrophobicContact CG-CB 4.19Å; F422-I562 HydrophobicContact CG-CD1 3.83Å; F422-I562 HydrophobicContact CG-CG2 3.9Å; F422-I562 HydrophobicContact CZ-CB 4.13Å; F422-I562 HydrophobicContact CZ-CD1 4.49Å
423	R	91.8	Very high	87	Confident	104 Å²	104	64.7 Å²	64.7	39%	0.392	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-41.5	175.8	-72.8	171.8	179.5	166.5	-2.4	111.7	E350 L419 H420 D421 Q426 K427 L540	E350-R423 IonicContact OE1-NH2 2.64Å; E350-R423 PolarHBondContact OE1-NH2 3.38Å; E350-R423 VanDerWaalsContact OE1-NH2 3.09Å; L419-R423 VanDerWaalsContact O-CG 3.31Å; L419-R423 WeakPolarHBondContact O-CG 3.32Å; L419-R423 PolarHBondContact O-N 3.17Å; H420-R423 PolarHBondContact O-N 2.95Å; D421-R423 PolarHBondContact O-N 3.38Å; R423-Q426 PolarHBondContact O-N 3.4Å; R423-K427 PolarHBondContact O-N 3.44Å; R423-K427 VanDerWaalsContact O-N 3.1Å; R423-L540 HydrophobicContact CG-CD2 3.93Å
424	V	92.2	Very high	85.1	Confident	76 Å²	76	68.9 Å²	68.9	46%	0.461	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.7	170.6	0	0	0	0	111	H420 D421 F422 K427 A428	H420-V424 WeakPolarHBondContact O-CG2 3.28Å; H420-V424 PolarHBondContact O-N 3.02Å; D421-V424 PolarHBondContact O-N 3.05Å; F422-V424 PolarHBondContact O-N 3Å; V424-K427 WeakPolarHBondContact O-CB 3.43Å; V424-K427 PolarHBondContact O-N 2.91Å; V424-A428 PolarHBondContact O-N 3.24Å
425	R	90.4	Very high	82.7	Confident	55 Å²	55	78.7 Å²	78.7	21%	0.208	40%	0.404	C	S	.	.	H	α-helix	trans	-68.3	-39.4	178.9	-70.5	168.3	-176.8	-131.6	18.2	112.8	D421 F422 K427 A428 V429 Y561 I562 F564	D421-R425 VanDerWaalsContact CG-NE 3.29Å; D421-R425 WeakPolarHBondContact O-CG 3.4Å; D421-R425 PolarHBondContact O-N 3.34Å; D421-R425 IonicContact OD1-NE 2.93Å; D421-R425 PolarHBondContact OD1-NE 3.41Å; D421-R425 IonicContact OD1-NH2 2.74Å; D421-R425 IonicContact OD2-CZ 3.65Å; D421-R425 IonicContact OD2-NE 3.13Å; D421-R425 PolarHBondContact OD2-NE 3.36Å; D421-R425 IonicContact OD2-NH2 3.51Å; D421-R425 PolarHBondContact OD2-NH2 2.88Å; F422-R425 PolarHBondContact O-N 2.85Å; R425-K427 VanDerWaalsContact C-N 3.26Å; R425-K427 PolarHBondContact O-N 2.75Å; R425-A428 WeakPolarHBondContact O-CB 3.45Å; R425-A428 PolarHBondContact O-N 2.81Å; R425-A428 VanDerWaalsContact O-N 3.09Å; R425-V429 WeakPolarHBondContact O-CG2 3.2Å; R425-V429 PolarHBondContact O-N 2.94Å; R425-Y561 VanDerWaalsContact NH1-CZ 3.28Å; R425-I562 HydrophobicContact CB-CG2 4.23Å; R425-F564 HydrophobicContact CB-CE2 3.88Å
426	Q	89.9	Confident	80.6	Confident	42 Å²	42	82.6 Å²	82.6	20%	0.196	45%	0.445	C	S	.	.	H	α-helix	trans	-57.3	-44.4	174.5	-168.5	-178.1	21.9	0	0	110.7	F422 R423 A428 V429 A430 L540 F564	F422-Q426 WeakPolarHBondContact O-CB 3.49Å; F422-Q426 PolarHBondContact O-N 3.46Å; R423-Q426 PolarHBondContact O-N 3.4Å; Q426-A428 VanDerWaalsContact C-N 3.33Å; Q426-A428 PolarHBondContact O-N 2.96Å; Q426-V429 PolarHBondContact O-N 2.97Å; Q426-A430 WeakPolarHBondContact O-CB 3.34Å; Q426-A430 PolarHBondContact O-N 2.95Å; Q426-L540 PolarHBondContact NE2-O 3.41Å; Q426-F564 HydrophobicContact CB-CE1 3.86Å; Q426-F564 HydrophobicContact CB-CE2 3.96Å; Q426-F564 HydrophobicContact CB-CZ 3.48Å; Q426-F564 VanDerWaalsContact CB-CZ 3.48Å; Q426-F564 HydrophobicContact CG-CD1 4.35Å; Q426-F564 HydrophobicContact CG-CE1 3.82Å; Q426-F564 HydrophobicContact CG-CZ 3.99Å
427	K	88.4	Confident	78.4	Confident	160 Å²	160	84.7 Å²	84.7	70%	0.696	45%	0.453	S	S	*	.	H	α-helix	trans	-63.7	-38.3	175.8	-169.4	177.6	-178.7	179.7	0	112	R423 V424 R425 A430 S431	R423-K427 PolarHBondContact O-N 3.44Å; R423-K427 VanDerWaalsContact O-N 3.1Å; V424-K427 WeakPolarHBondContact O-CB 3.43Å; V424-K427 PolarHBondContact O-N 2.91Å; R425-K427 VanDerWaalsContact C-N 3.26Å; R425-K427 PolarHBondContact O-N 2.75Å; K427-A430 PolarHBondContact O-N 3.3Å; K427-S431 WeakPolarHBondContact O-CB 3.29Å; K427-S431 PolarHBondContact O-N 3.17Å; K427-S431 PolarHBondContact O-OG 3.04Å
428	A	87.5	Confident	76.4	Confident	56 Å²	56	86.7 Å²	86.7	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.2	0	0	0	0	0	112.1	V424 R425 Q426 S431 A432	V424-A428 PolarHBondContact O-N 3.24Å; R425-A428 WeakPolarHBondContact O-CB 3.45Å; R425-A428 PolarHBondContact O-N 2.81Å; R425-A428 VanDerWaalsContact O-N 3.09Å; Q426-A428 VanDerWaalsContact C-N 3.33Å; Q426-A428 PolarHBondContact O-N 2.96Å; A428-S431 WeakPolarHBondContact CA-OG 3.2Å; A428-S431 PolarHBondContact O-N 3.2Å; A428-S431 PolarHBondContact O-OG 3.23Å; A428-A432 PolarHBondContact O-N 3.36Å
429	V	84.6	Confident	74.3	Confident	70 Å²	70	91.5 Å²	91.5	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-44	175.7	175	0	0	0	0	111.2	R425 Q426 S431 A432 F564	R425-V429 WeakPolarHBondContact O-CG2 3.2Å; R425-V429 PolarHBondContact O-N 2.94Å; Q426-V429 PolarHBondContact O-N 2.97Å; V429-S431 VanDerWaalsContact C-N 3.27Å; V429-S431 PolarHBondContact O-N 3.44Å; V429-A432 PolarHBondContact O-N 3.44Å; V429-F564 HydrophobicContact CG1-CB 4.33Å; V429-F564 HydrophobicContact CG2-CB 4.35Å; V429-F564 HydrophobicContact CG2-CD2 3.93Å; V429-F564 HydrophobicContact CG2-CG 4.5Å
430	A	77.6	Confident	72.6	Confident	48 Å²	48	94 Å²	94	40%	0.397	52%	0.524	S	S	.	.	H	α-helix	trans	-66	-26.7	178.7	0	0	0	0	0	113.6	Q426 K427 A440	Q426-A430 WeakPolarHBondContact O-CB 3.34Å; Q426-A430 PolarHBondContact O-N 2.95Å; K427-A430 PolarHBondContact O-N 3.3Å; A430-A440 VanDerWaalsContact O-CB 3.22Å; A430-A440 WeakPolarHBondContact O-CB 3.44Å
431	S	76.5	Confident	71.2	Confident	84 Å²	84	92.6 Å²	92.6	59%	0.587	52%	0.518	S	S	*	.	H	α-helix	trans	-93.6	-14.8	-179.6	51.2	0	0	0	0	114.2	K427 A428 V429 K433	K427-S431 WeakPolarHBondContact O-CB 3.29Å; K427-S431 PolarHBondContact O-N 3.17Å; K427-S431 PolarHBondContact O-OG 3.04Å; A428-S431 WeakPolarHBondContact CA-OG 3.2Å; A428-S431 PolarHBondContact O-N 3.2Å; A428-S431 PolarHBondContact O-OG 3.23Å; V429-S431 VanDerWaalsContact C-N 3.27Å; V429-S431 PolarHBondContact O-N 3.44Å; S431-K433 VanDerWaalsContact C-N 3.33Å; S431-K433 PolarHBondContact O-N 3.42Å
432	A	69.9	Low	70.4	Confident	64 Å²	64	97.6 Å²	97.6	53%	0.529	54%	0.538	S	S	.	.	S	Bend	trans	-68.1	88.9	172.2	0	0	0	0	0	109.9	A428 V429 Q434	A428-A432 PolarHBondContact O-N 3.36Å; V429-A432 PolarHBondContact O-N 3.44Å; A432-Q434 PolarHBondContact O-N 3.15Å
433	K	53.5	Low	69.8	Low	194 Å²	194	98 Å²	98	84%	0.843	54%	0.541	S	S	*	.			trans	-51.9	107	170.8	-81.1	-178.2	174.8	177.7	0	109.4	S431 K435	S431-K433 VanDerWaalsContact C-N 3.33Å; S431-K433 PolarHBondContact O-N 3.42Å; K433-K435 PolarHBondContact O-N 2.92Å; K433-K435 VanDerWaalsContact O-N 3.16Å
434	Q	53.5	Low	69.4	Low	138 Å²	138	94.8 Å²	94.8	65%	0.645	53%	0.532	S	S	*	.			trans	-61.3	118.3	160.1	-78.6	-173.1	-9	0	0	107.1	A432 G436 K437	A432-Q434 PolarHBondContact O-N 3.15Å; Q434-G436 PolarHBondContact O-N 3.47Å; Q434-K437 PolarHBondContact O-N 3.26Å
435	K	40.6	Very low	69.2	Low	221 Å²	221	92.4 Å²	92.4	96%	0.961	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	104.9	172.1	-83	-178.7	173.3	178.3	0	108.4	K433	K433-K435 PolarHBondContact O-N 2.92Å; K433-K435 VanDerWaalsContact O-N 3.16Å
436	G	49	Very low	69.2	Low	83 Å²	83	89.9 Å²	89.9	86%	0.856	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.4	-9.4	173.4	0	0	0	0	0	117.6	Q434	Q434-G436 PolarHBondContact O-N 3.47Å
437	K	46.9	Very low	69.3	Low	116 Å²	116	88.6 Å²	88.6	50%	0.504	50%	0.502	S	S	.	.			trans	-115.9	133	174.9	-77.8	-173.5	173	-173.3	0	111.8	Q434 V439 E441	Q434-K437 PolarHBondContact O-N 3.26Å; K437-V439 VanDerWaalsContact C-N 3.33Å; K437-E441 IonicContact NZ-OE1 3.91Å; K437-E441 PolarHBondContact NZ-OE1 3.28Å; K437-E441 IonicContact NZ-OE2 3.6Å
438	S	47.2	Very low	69.5	Low	130 Å²	130	81.1 Å²	81.1	91%	0.909	47%	0.47	S	S	*	.	S	Bend	trans	-79.3	-10.6	-177.4	54.5	0	0	0	0	114.3
439	V	49.3	Very low	69.7	Low	108 Å²	108	80.4 Å²	80.4	66%	0.655	46%	0.455	S	S	*	.	S	Bend	trans	-133.7	124.3	177.7	-174.1	0	0	0	0	108.1	K437 E441	K437-V439 VanDerWaalsContact C-N 3.33Å; V439-E441 PolarHBondContact O-N 2.8Å
440	A	55.7	Low	69.9	Low	58 Å²	58	77.3 Å²	77.3	48%	0.479	44%	0.437	S	S	.	.			trans	-70.8	115.5	170.9	0	0	0	0	0	108.3	A430 K442	A430-A440 VanDerWaalsContact O-CB 3.22Å; A430-A440 WeakPolarHBondContact O-CB 3.44Å; A440-K442 PolarHBondContact O-N 2.8Å
441	E	64.4	Low	70.2	Confident	95 Å²	95	75.2 Å²	75.2	44%	0.444	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.5	124.7	175.1	-83.2	163.2	-158.7	0	0	109.1	K437 V439 T566	K437-E441 IonicContact NZ-OE1 3.91Å; K437-E441 PolarHBondContact NZ-OE1 3.28Å; K437-E441 IonicContact NZ-OE2 3.6Å; V439-E441 PolarHBondContact O-N 2.8Å; E441-T566 HydrophobicContact CB-CG2 4.34Å
442	K	75	Confident	70.3	Confident	147 Å²	147	76.3 Å²	76.3	64%	0.639	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.1	130.8	174.2	-82.3	-169.8	171.6	-167	0	108.6	A440 E541	A440-K442 PolarHBondContact O-N 2.8Å; K442-E541 IonicContact NZ-OE2 3.93Å; K442-E541 PolarHBondContact NZ-OE2 3.45Å
443	P	82.1	Confident	70.8	Confident	10 Å²	10	79.4 Å²	79.4	7%	0.065	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-62.6	140.9	175.6	24	-30.8	0	0	0	110.4	L542 F564	P443-L542 HydrophobicContact CB-CD2 4.42Å; P443-L542 HydrophobicContact CG-CD2 4.42Å; P443-L542 VanDerWaalsContact O-CD2 3.27Å; P443-L542 WeakPolarHBondContact O-CD2 3.27Å; P443-F564 HydrophobicContact CB-CB 3.76Å; P443-F564 HydrophobicContact CB-CD1 4.18Å; P443-F564 HydrophobicContact CB-CG 4.38Å; P443-F564 HydrophobicContact CG-CB 4.05Å; P443-F564 HydrophobicContact CG-CD1 3.94Å; P443-F564 HydrophobicContact CG-CG 4.24Å
444	T	83.6	Confident	72.2	Confident	35 Å²	35	71.9 Å²	71.9	22%	0.215	39%	0.386	C	S	.	.			trans	-102.1	-31	-178.8	54.7	0	0	0	0	112.1	E543 E565	T444-E543 WeakPolarHBondContact O-CB 3.3Å; T444-E543 PolarHBondContact O-N 3.35Å; T444-E565 PolarHBondContact N-O 2.78Å
445	H	88.1	Confident	73.7	Confident	26 Å²	26	66.6 Å²	66.6	12%	0.12	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.5	-177.7	-64.7	64.5	0	0	0	110.5	E543 Q544 E565	H445-E543 IonicContact CE1-OE2 3.36Å; H445-Q544 VanDerWaalsContact CA-O 3.32Å; H445-Q544 WeakPolarHBondContact CA-O 3.49Å; H445-E565 PolarHBondContact N-O 2.95Å; H445-E565 PolarHBondContact O-N 2.93Å; H445-E565 VanDerWaalsContact O-O 3.07Å
446	A	91	Very high	75.7	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147	166.8	0	0	0	0	0	112.4	L542 Q544 V545 E546 I562 V563 F564	A446-L542 HydrophobicContact CB-CD1 3.48Å; A446-L542 VanDerWaalsContact CB-CD1 3.48Å; A446-Q544 PolarHBondContact N-O 3.09Å; A446-V545 HydrophobicContact CB-CG2 4.48Å; A446-V545 CarbonylContact O-C 3.23Å; A446-V545 VanDerWaalsContact O-CA 3.31Å; A446-V545 WeakPolarHBondContact O-CA 3.46Å; A446-E546 PolarHBondContact O-N 3.22Å; A446-I562 HydrophobicContact CB-CD1 3.78Å; A446-I562 HydrophobicContact CB-CG1 3.82Å; A446-V563 CarbonylContact C-O 3.58Å; A446-V563 WeakPolarHBondContact CA-O 3.08Å; A446-V563 WeakPolarHBondContact CB-O 3.45Å; A446-F564 HydrophobicContact CB-CD1 3.98Å; A446-F564 HydrophobicContact CB-CE1 4.26Å
447	T	91.8	Very high	77.6	Confident	15 Å²	15	56.1 Å²	56.1	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122	170.9	-54.5	0	0	0	0	109.2	Y449 E546 N548 V563	T447-Y449 HydrophobicContact CG2-CD2 4.22Å; T447-Y449 HydrophobicContact CG2-CE1 4.17Å; T447-Y449 HydrophobicContact CG2-CE2 3.63Å; T447-E546 CarbonylContact C-O 3.56Å; T447-E546 WeakPolarHBondContact CA-O 3.45Å; T447-N548 HydrophobicContact CG2-CB 3.8Å; T447-V563 PolarHBondContact N-O 3.4Å; T447-V563 PolarHBondContact O-N 3.42Å
448	V	92.2	Very high	79.5	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.9	175.3	-179.8	0	0	0	0	108.9	F422 V450 L529 V545 E546 V547 N548 P560 I562	F422-V448 HydrophobicContact CE2-CG1 4.25Å; F422-V448 HydrophobicContact CE2-CG2 3.76Å; F422-V448 HydrophobicContact CZ-CB 4.4Å; F422-V448 HydrophobicContact CZ-CG1 3.63Å; F422-V448 HydrophobicContact CZ-CG2 3.83Å; V448-V450 HydrophobicContact CG1-CG2 4.29Å; V448-L529 HydrophobicContact CG1-CD1 3.96Å; V448-V545 HydrophobicContact CG2-CG1 3.76Å; V448-E546 PolarHBondContact N-O 3.1Å; V448-V547 HydrophobicContact CB-CG2 4.48Å; V448-V547 CarbonylContact O-C 3.55Å; V448-V547 WeakPolarHBondContact O-CA 3.41Å; V448-N548 PolarHBondContact O-N 2.93Å; V448-P560 HydrophobicContact CG1-CB 3.9Å; V448-I562 HydrophobicContact CG2-CB 4.37Å; V448-I562 HydrophobicContact CG2-CD1 3.97Å; V448-I562 HydrophobicContact CG2-CG1 4.03Å
449	Y	90.6	Very high	81.4	Confident	41 Å²	41	48 Å²	48	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119	177.7	-65.2	-89.6	0	0	0	110.4	T447 N548 R552 P560 Y561 V563	T447-Y449 HydrophobicContact CG2-CD2 4.22Å; T447-Y449 HydrophobicContact CG2-CE1 4.17Å; T447-Y449 HydrophobicContact CG2-CE2 3.63Å; Y449-N548 VanDerWaalsContact CA-O 3.28Å; Y449-N548 WeakPolarHBondContact CA-O 3.43Å; Y449-N548 HydrophobicContact CD1-CB 4.1Å; Y449-N548 HydrophobicContact CE1-CB 4.13Å; Y449-R552 HydrophobicContact CG-CB 4.47Å; Y449-P560 CarbonylContact O-C 3.57Å; Y449-P560 VanDerWaalsContact O-CA 3.3Å; Y449-P560 WeakPolarHBondContact O-CA 3.36Å; Y449-Y561 PolarHBondContact N-O 3.41Å; Y449-Y561 PolarHBondContact O-N 3.46Å; Y449-V563 HydrophobicContact CD2-CG2 4.07Å; Y449-V563 HydrophobicContact CE2-CB 4.16Å; Y449-V563 HydrophobicContact CE2-CG2 3.62Å
450	V	89.2	Confident	83.3	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.036	23%	0.226	C	C	.	.			trans	-108.6	141.7	177.8	-177.1	0	0	0	0	108.5	V448 E525 L529 V547 N548 P560	V448-V450 HydrophobicContact CG1-CG2 4.29Å; V450-E525 HydrophobicContact CG1-CB 3.63Å; V450-L529 HydrophobicContact CG2-CD1 3.59Å; V450-V547 HydrophobicContact CG2-CG1 3.78Å; V450-N548 PolarHBondContact N-O 2.84Å; V450-P560 HydrophobicContact CG2-CB 4.28Å
451	C	84.5	Confident	84.9	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.02	20%	0.204	C	C	.	.			trans	-128.1	125.6	175.7	-77.7	0	0	0	0	109.8	K453 S555 P557	C451-K453 VanDerWaalsContact C-N 3.34Å; C451-S555 PolarHBondContact SG-OG 2.97Å; C451-P557 WeakPolarHBondContact O-CG 3.46Å
452	D	78.7	Confident	86.1	Confident	108 Å²	108	36.2 Å²	36.2	58%	0.578	18%	0.183	S	C	*	.	S	Bend	trans	-74.8	-24.9	175.3	64.5	-29.5	0	0	0	112.5
453	K	80.9	Confident	86.8	Confident	129 Å²	129	33.6 Å²	33.6	56%	0.561	17%	0.172	S	C	*	.	S	Bend	trans	-129.3	144.1	-177.3	-66.5	175.8	-171.7	173	0	112.3	C451	C451-K453 VanDerWaalsContact C-N 3.34Å
454	Y	82.7	Confident	87.2	Confident	35 Å²	35	34.5 Å²	34.5	14%	0.137	18%	0.177	C	C	.	.			trans	-64.9	143.7	167.2	-76.5	-79.4	0	0	0	110.6	Q458 L462 F501 L519 R556 P557	Y454-Q458 HydrophobicContact CD1-CB 4.06Å; Y454-Q458 HydrophobicContact CG-CB 4.49Å; Y454-L462 HydrophobicContact CD1-CD1 3.88Å; Y454-L462 HydrophobicContact CD2-CD1 3.59Å; Y454-L462 HydrophobicContact CE1-CD1 3.88Å; Y454-L462 HydrophobicContact CE2-CD1 3.59Å; Y454-L462 HydrophobicContact CG-CD1 3.75Å; Y454-F501 HydrophobicContact CD1-CZ 4.5Å; Y454-F501 HydrophobicContact CE1-CZ 4.44Å; Y454-L519 WeakPolarHBondContact CD2-O 3.46Å; Y454-R556 HydrophobicContact CD1-CB 3.97Å; Y454-R556 HydrophobicContact CE1-CB 3.76Å; Y454-R556 HydrophobicContact CE1-CG 4.26Å; Y454-P557 HydrophobicContact CD2-CB 4.43Å; Y454-P557 HydrophobicContact CD2-CG 3.78Å; Y454-P557 HydrophobicContact CE2-CB 3.85Å; Y454-P557 HydrophobicContact CE2-CG 3.7Å; Y454-P557 HydrophobicContact CG-CG 4.24Å; Y454-P557 PolarHBondContact OH-O 2.97Å
455	P	83.2	Confident	87.5	Confident	28 Å²	28	32.8 Å²	32.8	18%	0.182	17%	0.166	C	C	.	.			trans	-52.5	144.5	165.3	-25.2	33.8	0	0	0	110.6	W457 Q458 E459	P455-W457 PolarHBondContact O-N 3.23Å; P455-Q458 WeakPolarHBondContact O-CA 3.47Å; P455-Q458 WeakPolarHBondContact O-CB 3.41Å; P455-Q458 PolarHBondContact O-N 3.48Å; P455-E459 PolarHBondContact O-N 3.1Å
456	S	84.5	Confident	87.6	Confident	69 Å²	69	35.1 Å²	35.1	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-50.6	-38.2	-172.3	53.6	0	0	0	0	114.3	A460	S456-A460 WeakPolarHBondContact O-CB 3.38Å; S456-A460 PolarHBondContact O-N 3.34Å
457	W	87.2	Confident	87.5	Confident	15 Å²	15	39.8 Å²	39.8	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-70.8	-32.7	177.6	73.4	-92.1	0	0	0	113.3	P455 I461 L491 Y494 K497 F501	P455-W457 PolarHBondContact O-N 3.23Å; W457-I461 HydrophobicContact CE3-CD1 3.62Å; W457-I461 HydrophobicContact CZ3-CD1 3.74Å; W457-I461 WeakPolarHBondContact O-CD1 3.45Å; W457-I461 VanDerWaalsContact O-CG1 3.3Å; W457-I461 WeakPolarHBondContact O-CG1 3.41Å; W457-I461 PolarHBondContact O-N 3.05Å; W457-L491 HydrophobicContact CB-CD2 3.69Å; W457-L491 VanDerWaalsContact O-CD2 3.25Å; W457-L491 WeakPolarHBondContact O-CD2 3.39Å; W457-Y494 HydrophobicContact CB-CD2 3.53Å; W457-Y494 HydrophobicContact CB-CE2 3.84Å; W457-Y494 HydrophobicContact CB-CG 4.08Å; W457-Y494 AromaticContact CD1-CE1 3.91Å; W457-Y494 AromaticContact CD1-CE2 3.95Å; W457-Y494 AromaticContact CD1-CZ 3.88Å; W457-Y494 HydrophobicContact CD2-CD1 4.42Å; W457-Y494 HydrophobicContact CD2-CD2 4.46Å; W457-Y494 HydrophobicContact CD2-CG 4.11Å; W457-Y494 HydrophobicContact CG-CD1 4.21Å; W457-Y494 AromaticContact CG-CD2 3.74Å; W457-Y494 HydrophobicContact CG-CD2 3.74Å; W457-Y494 HydrophobicContact CG-CE1 4.47Å; W457-Y494 HydrophobicContact CG-CE2 4.03Å; W457-Y494 AromaticContact CG-CG 3.82Å; W457-Y494 HydrophobicContact CG-CG 3.82Å; W457-K497 HydrophobicContact CH2-CB 3.71Å; W457-K497 HydrophobicContact CH2-CD 4.5Å; W457-K497 HydrophobicContact CZ2-CB 4.16Å; W457-K497 HydrophobicContact CZ2-CD 4.11Å; W457-K497 HydrophobicContact CZ3-CB 4.14Å; W457-F501 HydrophobicContact CH2-CB 4Å; W457-F501 HydrophobicContact CH2-CD2 4.4Å; W457-F501 HydrophobicContact CH2-CG 4.21Å; W457-F501 HydrophobicContact CZ3-CB 3.89Å; W457-F501 HydrophobicContact CZ3-CD1 4.4Å; W457-F501 HydrophobicContact CZ3-CG 4.09Å
458	Q	87.8	Confident	87.3	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-74.1	-41.6	174.4	-68.4	-176.3	7.5	0	0	110.7	Y454 P455 A460 I461 L462 F501	Y454-Q458 HydrophobicContact CD1-CB 4.06Å; Y454-Q458 HydrophobicContact CG-CB 4.49Å; P455-Q458 WeakPolarHBondContact O-CA 3.47Å; P455-Q458 WeakPolarHBondContact O-CB 3.41Å; P455-Q458 PolarHBondContact O-N 3.48Å; Q458-A460 VanDerWaalsContact C-N 3.3Å; Q458-A460 PolarHBondContact O-N 3.47Å; Q458-I461 PolarHBondContact O-N 3.46Å; Q458-I461 VanDerWaalsContact O-N 3.15Å; Q458-L462 WeakPolarHBondContact O-CG 3.35Å; Q458-L462 PolarHBondContact O-N 2.96Å; Q458-F501 HydrophobicContact CB-CE1 3.94Å; Q458-F501 HydrophobicContact CB-CE2 4.07Å; Q458-F501 HydrophobicContact CB-CZ 3.64Å; Q458-F501 HydrophobicContact CG-CD1 4.37Å; Q458-F501 HydrophobicContact CG-CD2 3.99Å; Q458-F501 HydrophobicContact CG-CE1 4.1Å; Q458-F501 HydrophobicContact CG-CE2 3.67Å; Q458-F501 HydrophobicContact CG-CG 4.33Å; Q458-F501 HydrophobicContact CG-CZ 3.75Å
459	E	87.6	Confident	87.2	Confident	63 Å²	63	44.6 Å²	44.6	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-58.2	-43.5	176.1	-168.9	-171.6	169.1	0	0	111.3	P455 I461 L462 K463 L519	P455-E459 PolarHBondContact O-N 3.1Å; E459-I461 VanDerWaalsContact C-N 3.33Å; E459-I461 PolarHBondContact O-N 3.05Å; E459-L462 PolarHBondContact O-N 3.43Å; E459-K463 HydrophobicContact CG-CD 4.42Å; E459-K463 WeakPolarHBondContact O-CB 3.3Å; E459-K463 WeakPolarHBondContact O-CG 3.46Å; E459-K463 PolarHBondContact O-N 3.26Å; E459-K463 WeakPolarHBondContact OE1-CE 3.48Å; E459-K463 IonicContact OE1-NZ 2.64Å; E459-K463 PolarHBondContact OE1-NZ 3.09Å; E459-L519 HydrophobicContact CG-CD1 4.24Å; E459-L519 HydrophobicContact CG-CD2 3.85Å
460	A	87.8	Confident	87.1	Confident	12 Å²	12	49.2 Å²	49.2	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-39.6	176.5	0	0	0	0	0	112.8	S456 Q458 T464 M490 L491	S456-A460 WeakPolarHBondContact O-CB 3.38Å; S456-A460 PolarHBondContact O-N 3.34Å; Q458-A460 VanDerWaalsContact C-N 3.3Å; Q458-A460 PolarHBondContact O-N 3.47Å; A460-T464 WeakPolarHBondContact O-CB 3.43Å; A460-T464 PolarHBondContact O-N 3.33Å; A460-T464 VanDerWaalsContact O-N 3.12Å; A460-T464 PolarHBondContact O-OG1 3.33Å; A460-M490 HydrophobicContact CB-CE 3.58Å; A460-M490 HydrophobicContact CB-SD 3.75Å; A460-L491 HydrophobicContact CB-CD2 4.26Å
461	I	89.8	Confident	87.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-47.8	176	-65.4	164.4	0	0	0	110.2	W457 Q458 E459 T464 L465 L485 L491 V498 F501 V502	W457-I461 HydrophobicContact CE3-CD1 3.62Å; W457-I461 HydrophobicContact CZ3-CD1 3.74Å; W457-I461 WeakPolarHBondContact O-CD1 3.45Å; W457-I461 VanDerWaalsContact O-CG1 3.3Å; W457-I461 WeakPolarHBondContact O-CG1 3.41Å; W457-I461 PolarHBondContact O-N 3.05Å; Q458-I461 PolarHBondContact O-N 3.46Å; Q458-I461 VanDerWaalsContact O-N 3.15Å; E459-I461 VanDerWaalsContact C-N 3.33Å; E459-I461 PolarHBondContact O-N 3.05Å; I461-T464 WeakPolarHBondContact O-CB 3.43Å; I461-T464 PolarHBondContact O-N 2.9Å; I461-L465 HydrophobicContact CG2-CD1 3.88Å; I461-L465 HydrophobicContact CG2-CG 4.33Å; I461-L465 WeakPolarHBondContact O-CG 3.31Å; I461-L465 PolarHBondContact O-N 3.5Å; I461-L485 HydrophobicContact CB-CD2 4.48Å; I461-L485 HydrophobicContact CG1-CD1 4.48Å; I461-L485 HydrophobicContact CG1-CD2 4.14Å; I461-L485 HydrophobicContact CG2-CD1 4.14Å; I461-L485 HydrophobicContact CG2-CD2 4.46Å; I461-L491 HydrophobicContact CD1-CD2 4.44Å; I461-L491 HydrophobicContact CG1-CD1 3.81Å; I461-L491 HydrophobicContact CG1-CD2 4.19Å; I461-V498 HydrophobicContact CD1-CB 4.31Å; I461-V498 HydrophobicContact CD1-CG1 3.95Å; I461-V498 HydrophobicContact CD1-CG2 4.22Å; I461-V498 HydrophobicContact CG1-CG1 4.46Å; I461-F501 HydrophobicContact CB-CD1 4.26Å; I461-F501 HydrophobicContact CB-CE1 4.23Å; I461-F501 HydrophobicContact CD1-CD1 3.85Å; I461-F501 HydrophobicContact CD1-CE1 4.49Å; I461-F501 HydrophobicContact CG2-CD1 3.99Å; I461-F501 HydrophobicContact CG2-CE1 4.15Å; I461-V502 HydrophobicContact CG2-CG2 3.73Å
462	L	89.8	Confident	87.2	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-44.5	-179.2	-72.3	171.7	0	0	0	111.9	Y454 Q458 E459 T464 L465 F466 F501 V505 L519	Y454-L462 HydrophobicContact CD1-CD1 3.88Å; Y454-L462 HydrophobicContact CD2-CD1 3.59Å; Y454-L462 HydrophobicContact CE1-CD1 3.88Å; Y454-L462 HydrophobicContact CE2-CD1 3.59Å; Y454-L462 HydrophobicContact CG-CD1 3.75Å; Q458-L462 WeakPolarHBondContact O-CG 3.35Å; Q458-L462 PolarHBondContact O-N 2.96Å; E459-L462 PolarHBondContact O-N 3.43Å; L462-T464 VanDerWaalsContact C-N 3.34Å; L462-T464 PolarHBondContact O-N 3.2Å; L462-L465 PolarHBondContact O-N 2.84Å; L462-F466 WeakPolarHBondContact O-CB 3.35Å; L462-F466 PolarHBondContact O-N 2.91Å; L462-F501 HydrophobicContact CD1-CZ 4.3Å; L462-F501 HydrophobicContact CD2-CE1 4.34Å; L462-F501 HydrophobicContact CD2-CZ 4.43Å; L462-F501 HydrophobicContact CG-CE1 4.13Å; L462-F501 HydrophobicContact CG-CZ 4.22Å; L462-V505 HydrophobicContact CD2-CG1 3.96Å; L462-V505 HydrophobicContact CD2-CG2 3.83Å; L462-L519 HydrophobicContact CB-CD2 3.62Å; L462-L519 HydrophobicContact CD1-CD2 4Å; L462-L519 HydrophobicContact CG-CD2 4.48Å
463	K	90.4	Very high	87.6	Confident	93 Å²	93	59.3 Å²	59.3	40%	0.404	30%	0.3	S	S	.	.	H	α-helix	trans	-57.3	-47.3	173.9	-76.4	179.6	-177.6	169.2	0	111.7	E459 L465 F466 D467 L519	E459-K463 HydrophobicContact CG-CD 4.42Å; E459-K463 WeakPolarHBondContact O-CB 3.3Å; E459-K463 WeakPolarHBondContact O-CG 3.46Å; E459-K463 PolarHBondContact O-N 3.26Å; E459-K463 WeakPolarHBondContact OE1-CE 3.48Å; E459-K463 IonicContact OE1-NZ 2.64Å; E459-K463 PolarHBondContact OE1-NZ 3.09Å; K463-L465 VanDerWaalsContact C-N 3.35Å; K463-L465 PolarHBondContact O-N 2.88Å; K463-F466 PolarHBondContact O-N 3.4Å; K463-D467 PolarHBondContact O-N 3.18Å; K463-L519 HydrophobicContact CD-CD1 4.36Å; K463-L519 VanDerWaalsContact CE-CD1 3.46Å; K463-L519 HydrophobicContact CG-CD1 3.89Å; K463-L519 HydrophobicContact CG-CD2 4.39Å
464	T	89.1	Confident	87.9	Confident	28 Å²	28	56.1 Å²	56.1	17%	0.172	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-49.3	176.8	-53.4	0	0	0	0	110.4	A460 I461 L462 F466 D467 W468 V484 L485	A460-T464 WeakPolarHBondContact O-CB 3.43Å; A460-T464 PolarHBondContact O-N 3.33Å; A460-T464 VanDerWaalsContact O-N 3.12Å; A460-T464 PolarHBondContact O-OG1 3.33Å; I461-T464 WeakPolarHBondContact O-CB 3.43Å; I461-T464 PolarHBondContact O-N 2.9Å; L462-T464 VanDerWaalsContact C-N 3.34Å; L462-T464 PolarHBondContact O-N 3.2Å; T464-F466 VanDerWaalsContact C-N 3.31Å; T464-F466 PolarHBondContact O-N 3.47Å; T464-D467 PolarHBondContact O-N 3.15Å; T464-W468 PolarHBondContact O-N 2.94Å; T464-W468 VanDerWaalsContact O-N 3.09Å; T464-V484 HydrophobicContact CG2-CG1 4.21Å; T464-L485 HydrophobicContact CG2-CD2 4Å
465	L	90.4	Very high	88.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-37.5	179.5	-68.2	172.1	0	0	0	112.7	I461 L462 K463 W468 H469 L475 L481 V505 L517	I461-L465 HydrophobicContact CG2-CD1 3.88Å; I461-L465 HydrophobicContact CG2-CG 4.33Å; I461-L465 WeakPolarHBondContact O-CG 3.31Å; I461-L465 PolarHBondContact O-N 3.5Å; L462-L465 PolarHBondContact O-N 2.84Å; K463-L465 VanDerWaalsContact C-N 3.35Å; K463-L465 PolarHBondContact O-N 2.88Å; L465-W468 PolarHBondContact O-N 3.37Å; L465-H469 PolarHBondContact O-N 2.76Å; L465-L475 HydrophobicContact CB-CD2 4.13Å; L465-L475 HydrophobicContact CD2-CD2 4.08Å; L465-L475 WeakPolarHBondContact O-CD2 3.29Å; L465-L481 HydrophobicContact CD2-CD1 3.91Å; L465-L481 HydrophobicContact CD2-CD2 3.49Å; L465-L481 VanDerWaalsContact CD2-CD2 3.49Å; L465-L481 HydrophobicContact CD2-CG 4.38Å; L465-V505 HydrophobicContact CD1-CB 4.17Å; L465-V505 HydrophobicContact CD1-CG1 3.7Å; L465-L517 HydrophobicContact CB-CD2 3.85Å; L465-L517 HydrophobicContact CD1-CD2 4.36Å
466	F	89.7	Confident	88.2	Confident	74 Å²	74	55 Å²	55	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-44.9	176.6	-175.7	-98.3	0	0	0	111.9	L462 K463 T464 W468 H469 Q470 L517	L462-F466 WeakPolarHBondContact O-CB 3.35Å; L462-F466 PolarHBondContact O-N 2.91Å; K463-F466 PolarHBondContact O-N 3.4Å; T464-F466 VanDerWaalsContact C-N 3.31Å; T464-F466 PolarHBondContact O-N 3.47Å; F466-W468 VanDerWaalsContact C-N 3.29Å; F466-W468 PolarHBondContact O-N 3.23Å; F466-H469 PolarHBondContact O-N 3.29Å; F466-Q470 HydrophobicContact CD1-CG 4.42Å; F466-Q470 HydrophobicContact CE1-CG 4.02Å; F466-Q470 HydrophobicContact CZ-CG 4.24Å; F466-Q470 VanDerWaalsContact CZ-NE2 3.31Å; F466-Q470 PolarHBondContact O-N 3.11Å; F466-L517 HydrophobicContact CB-CB 4.41Å; F466-L517 HydrophobicContact CD2-CB 4.1Å
467	D	88.9	Confident	88.4	Confident	101 Å²	101	55.6 Å²	55.6	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-40.1	176.4	-64.1	-21.6	0	0	0	111.2	K463 T464 Q470 A471	K463-D467 PolarHBondContact O-N 3.18Å; T464-D467 PolarHBondContact O-N 3.15Å; D467-Q470 PolarHBondContact O-N 3.46Å; D467-A471 WeakPolarHBondContact O-CB 3.38Å; D467-A471 PolarHBondContact O-N 2.92Å; D467-A471 VanDerWaalsContact O-N 3.1Å
468	W	88.7	Confident	88.5	Confident	81 Å²	81	58.8 Å²	58.8	31%	0.307	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-42.1	174.7	-87.2	89.7	0	0	0	112.9	T464 L465 F466 A471 N472 P476	T464-W468 PolarHBondContact O-N 2.94Å; T464-W468 VanDerWaalsContact O-N 3.09Å; L465-W468 PolarHBondContact O-N 3.37Å; F466-W468 VanDerWaalsContact C-N 3.29Å; F466-W468 PolarHBondContact O-N 3.23Å; W468-A471 PolarHBondContact O-N 3.38Å; W468-N472 PolarHBondContact O-N 3.46Å; W468-N472 VanDerWaalsContact O-N 3.07Å; W468-N472 PolarHBondContact O-ND2 2.83Å; W468-P476 HydrophobicContact CB-CG 4.43Å; W468-P476 HydrophobicContact CD2-CB 4.49Å; W468-P476 HydrophobicContact CD2-CG 3.64Å; W468-P476 HydrophobicContact CE3-CB 4.03Å; W468-P476 HydrophobicContact CE3-CG 3.6Å; W468-P476 HydrophobicContact CG-CG 4Å; W468-P476 HydrophobicContact CZ3-CB 4.08Å; W468-P476 HydrophobicContact CZ3-CG 4.11Å
469	H	89.1	Confident	88.4	Confident	37 Å²	37	66.6 Å²	66.6	17%	0.171	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-44.4	176.2	173.7	64.2	0	0	0	111.5	L465 F466 A471 N472 E473 L475 Y509 L517	L465-H469 PolarHBondContact O-N 2.76Å; F466-H469 PolarHBondContact O-N 3.29Å; H469-A471 PolarHBondContact O-N 2.91Å; H469-N472 PolarHBondContact O-N 2.93Å; H469-E473 VanDerWaalsContact O-CA 3.22Å; H469-E473 WeakPolarHBondContact O-CA 2.95Å; H469-E473 PolarHBondContact O-N 3Å; H469-L475 HydrophobicContact CB-CD2 4.31Å; H469-Y509 PolarHBondContact CE1-OH 3.45Å; H469-Y509 AromaticContact ND1-CE2 3.83Å; H469-Y509 AromaticContact ND1-CZ 3.71Å; H469-Y509 PolarHBondContact ND1-OH 3.41Å; H469-L517 HydrophobicContact CB-CD1 3.72Å
470	Q	88.8	Confident	88.3	Confident	138 Å²	138	68.4 Å²	68.4	65%	0.645	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-34.4	175.2	-78.7	-153.2	5.9	0	0	112.8	F466 D467	F466-Q470 HydrophobicContact CD1-CG 4.42Å; F466-Q470 HydrophobicContact CE1-CG 4.02Å; F466-Q470 HydrophobicContact CZ-CG 4.24Å; F466-Q470 VanDerWaalsContact CZ-NE2 3.31Å; F466-Q470 PolarHBondContact O-N 3.11Å; D467-Q470 PolarHBondContact O-N 3.46Å
471	A	89.8	Confident	88.2	Confident	73 Å²	73	67.9 Å²	67.9	60%	0.603	34%	0.343	S	S	*	.	H	α-helix	trans	-77.4	-35.2	-178	0	0	0	0	0	113.8	D467 W468 H469	D467-A471 WeakPolarHBondContact O-CB 3.38Å; D467-A471 PolarHBondContact O-N 2.92Å; D467-A471 VanDerWaalsContact O-N 3.1Å; W468-A471 PolarHBondContact O-N 3.38Å; H469-A471 PolarHBondContact O-N 2.91Å
472	N	86.6	Confident	88	Confident	89 Å²	89	69.5 Å²	69.5	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-131.8	6.7	-167.7	-56.2	-68.3	0	0	0	114.8	W468 H469 S474	W468-N472 PolarHBondContact O-N 3.46Å; W468-N472 VanDerWaalsContact O-N 3.07Å; W468-N472 PolarHBondContact O-ND2 2.83Å; H469-N472 PolarHBondContact O-N 2.93Å; N472-S474 PolarHBondContact O-N 3.04Å; N472-S474 PolarHBondContact O-OG 2.7Å
473	E	86.2	Confident	87.8	Confident	167 Å²	167	77.9 Å²	77.9	78%	0.78	39%	0.391	S	S	*	.	S	Bend	trans	51.8	15.4	-172.2	-63.5	-173.7	164.1	0	0	114.5	H469 Y509	H469-E473 VanDerWaalsContact O-CA 3.22Å; H469-E473 WeakPolarHBondContact O-CA 2.95Å; H469-E473 PolarHBondContact O-N 3Å; E473-Y509 PolarHBondContact O-OH 2.69Å
474	S	87.1	Confident	87.7	Confident	62 Å²	62	76.8 Å²	76.8	43%	0.434	39%	0.392	S	S	.	.	S	Bend	trans	-153.6	155.1	-172.4	59.1	0	0	0	0	111.1	N472	N472-S474 PolarHBondContact O-N 3.04Å; N472-S474 PolarHBondContact O-OG 2.7Å
475	L	87.2	Confident	87.6	Confident	27 Å²	27	75.5 Å²	75.5	14%	0.141	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-92.8	134	177.6	-64.9	-179.7	0	0	0	110.7	L465 H469 K506 Y509 L517	L465-L475 HydrophobicContact CB-CD2 4.13Å; L465-L475 HydrophobicContact CD2-CD2 4.08Å; L465-L475 WeakPolarHBondContact O-CD2 3.29Å; H469-L475 HydrophobicContact CB-CD2 4.31Å; L475-K506 HydrophobicContact CD1-CG 3.97Å; L475-Y509 HydrophobicContact CD1-CD1 3.62Å; L475-Y509 HydrophobicContact CD1-CD2 3.91Å; L475-Y509 HydrophobicContact CD1-CE1 4.11Å; L475-Y509 HydrophobicContact CD1-CE2 4.35Å; L475-Y509 HydrophobicContact CD1-CG 3.52Å; L475-Y509 HydrophobicContact CG-CD1 4.07Å; L475-Y509 HydrophobicContact CG-CD2 4.37Å; L475-Y509 HydrophobicContact CG-CE1 4.03Å; L475-Y509 HydrophobicContact CG-CE2 4.31Å; L475-Y509 HydrophobicContact CG-CG 4.25Å; L475-L517 HydrophobicContact CD2-CD1 4.21Å
476	P	86.5	Confident	87.2	Confident	13 Å²	13	78.5 Å²	78.5	8%	0.084	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-65.3	167.6	-179.2	22.7	-31.6	0	0	0	113.5	W468 Q480 L481 K506	W468-P476 HydrophobicContact CB-CG 4.43Å; W468-P476 HydrophobicContact CD2-CB 4.49Å; W468-P476 HydrophobicContact CD2-CG 3.64Å; W468-P476 HydrophobicContact CE3-CB 4.03Å; W468-P476 HydrophobicContact CE3-CG 3.6Å; W468-P476 HydrophobicContact CG-CG 4Å; W468-P476 HydrophobicContact CZ3-CB 4.08Å; W468-P476 HydrophobicContact CZ3-CG 4.11Å; P476-Q480 HydrophobicContact CB-CB 4.26Å; P476-L481 HydrophobicContact CB-CG 4.45Å; P476-L481 HydrophobicContact CG-CD1 4.25Å; P476-L481 HydrophobicContact CG-CD2 3.71Å; P476-L481 HydrophobicContact CG-CG 3.76Å; P476-L481 WeakPolarHBondContact O-CD1 3.37Å; P476-K506 PolarHBondContact O-NZ 2.8Å
477	D	88.3	Confident	86.8	Confident	82 Å²	82	77.6 Å²	77.6	44%	0.439	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64.1	159.4	176.7	81	36.4	0	0	0	111.9	K479 Q480 L481	D477-K479 PolarHBondContact O-N 3.05Å; D477-K479 VanDerWaalsContact OD1-CA 3.29Å; D477-K479 WeakPolarHBondContact OD1-CA 3.31Å; D477-K479 WeakPolarHBondContact OD1-CB 3.33Å; D477-K479 PolarHBondContact OD1-N 3.46Å; D477-Q480 PolarHBondContact O-N 3.4Å; D477-Q480 PolarHBondContact OD1-N 2.92Å; D477-L481 PolarHBondContact O-N 3.33Å
478	N	88.9	Confident	86.6	Confident	81 Å²	81	75.6 Å²	75.6	43%	0.433	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-21.7	-175.9	-68.5	0.4	0	0	0	113	S482 M499 K506	N478-S482 WeakPolarHBondContact O-CB 3.4Å; N478-S482 PolarHBondContact O-N 2.96Å; N478-M499 HydrophobicContact CB-CE 4.08Å; N478-K506 PolarHBondContact OD1-NZ 3Å
479	K	85.3	Confident	86.3	Confident	176 Å²	176	77.2 Å²	77.2	77%	0.765	42%	0.415	S	S	*	.	H	α-helix	trans	-77.3	-42.7	-179.3	-168	-179.9	-178.8	-179.9	0	110.5	D477 K483	D477-K479 PolarHBondContact O-N 3.05Å; D477-K479 VanDerWaalsContact OD1-CA 3.29Å; D477-K479 WeakPolarHBondContact OD1-CA 3.31Å; D477-K479 WeakPolarHBondContact OD1-CB 3.33Å; D477-K479 PolarHBondContact OD1-N 3.46Å; K479-K483 PolarHBondContact O-N 2.86Å
480	Q	85.3	Confident	86.1	Confident	101 Å²	101	79.7 Å²	79.7	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-46.7	172.5	-71.3	-178.7	-19.1	0	0	110.8	P476 D477 S482 K483 V484	P476-Q480 HydrophobicContact CB-CB 4.26Å; D477-Q480 PolarHBondContact O-N 3.4Å; D477-Q480 PolarHBondContact OD1-N 2.92Å; Q480-S482 PolarHBondContact O-N 2.83Å; Q480-K483 PolarHBondContact O-N 3.29Å; Q480-V484 WeakPolarHBondContact O-CG2 3.03Å; Q480-V484 PolarHBondContact O-N 3.49Å; Q480-V484 VanDerWaalsContact O-N 3.14Å
481	L	86.8	Confident	85.9	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	40%	0.397	C	S	.	.	H	α-helix	trans	-60.4	-45.8	177	-76.9	169	0	0	0	112.5	L465 P476 D477 K483 V484 L485 V502 K506	L465-L481 HydrophobicContact CD2-CD1 3.91Å; L465-L481 HydrophobicContact CD2-CD2 3.49Å; L465-L481 VanDerWaalsContact CD2-CD2 3.49Å; L465-L481 HydrophobicContact CD2-CG 4.38Å; P476-L481 HydrophobicContact CB-CG 4.45Å; P476-L481 HydrophobicContact CG-CD1 4.25Å; P476-L481 HydrophobicContact CG-CD2 3.71Å; P476-L481 HydrophobicContact CG-CG 3.76Å; P476-L481 WeakPolarHBondContact O-CD1 3.37Å; D477-L481 PolarHBondContact O-N 3.33Å; L481-K483 VanDerWaalsContact C-N 3.28Å; L481-K483 PolarHBondContact O-N 3.43Å; L481-V484 PolarHBondContact O-N 3.43Å; L481-L485 HydrophobicContact CB-CD1 4.33Å; L481-L485 HydrophobicContact CD2-CD1 4.41Å; L481-L485 VanDerWaalsContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.49Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 3.01Å; L481-V502 HydrophobicContact CD1-CG1 3.83Å; L481-K506 HydrophobicContact CD1-CD 4.23Å
482	S	85.5	Confident	85.6	Confident	35 Å²	35	75.4 Å²	75.4	25%	0.245	39%	0.394	C	S	.	.	H	α-helix	trans	-57.6	-43.4	178.5	179.3	0	0	0	0	111.4	N478 Q480 L486	N478-S482 WeakPolarHBondContact O-CB 3.4Å; N478-S482 PolarHBondContact O-N 2.96Å; Q480-S482 PolarHBondContact O-N 2.83Å; S482-L486 WeakPolarHBondContact O-CB 3.3Å; S482-L486 VanDerWaalsContact O-CG 3.3Å; S482-L486 WeakPolarHBondContact O-CG 3.3Å; S482-L486 PolarHBondContact O-N 3.28Å; S482-L486 WeakPolarHBondContact OG-CD1 3.5Å
483	K	86.4	Confident	85.6	Confident	177 Å²	177	76.2 Å²	76.2	77%	0.77	40%	0.403	S	S	*	.	H	α-helix	trans	-64.1	-43.1	179.2	-167.4	-179	-179.9	-175.1	0	112.5	K479 Q480 L481 G487	K479-K483 PolarHBondContact O-N 2.86Å; Q480-K483 PolarHBondContact O-N 3.29Å; L481-K483 VanDerWaalsContact C-N 3.28Å; L481-K483 PolarHBondContact O-N 3.43Å; K483-G487 PolarHBondContact O-N 2.76Å
484	V	87.1	Confident	85.6	Confident	69 Å²	69	71.7 Å²	71.7	42%	0.418	38%	0.38	S	S	.	.	H	α-helix	trans	-71.9	-49	-179.2	175.6	0	0	0	0	111	T464 Q480 L481 G487 N488	T464-V484 HydrophobicContact CG2-CG1 4.21Å; Q480-V484 WeakPolarHBondContact O-CG2 3.03Å; Q480-V484 PolarHBondContact O-N 3.49Å; Q480-V484 VanDerWaalsContact O-N 3.14Å; L481-V484 PolarHBondContact O-N 3.43Å; V484-G487 PolarHBondContact O-N 2.88Å; V484-N488 PolarHBondContact O-N 2.94Å
485	L	87.2	Confident	85.5	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-71	-40.4	-174.6	-64.6	173.3	0	0	0	112.2	I461 T464 L481 G487 N488 L491 V498 V502	I461-L485 HydrophobicContact CB-CD2 4.48Å; I461-L485 HydrophobicContact CG1-CD1 4.48Å; I461-L485 HydrophobicContact CG1-CD2 4.14Å; I461-L485 HydrophobicContact CG2-CD1 4.14Å; I461-L485 HydrophobicContact CG2-CD2 4.46Å; T464-L485 HydrophobicContact CG2-CD2 4Å; L481-L485 HydrophobicContact CB-CD1 4.33Å; L481-L485 HydrophobicContact CD2-CD1 4.41Å; L481-L485 VanDerWaalsContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.49Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 3.01Å; L485-G487 VanDerWaalsContact C-N 3.25Å; L485-G487 PolarHBondContact O-N 3.5Å; L485-N488 WeakPolarHBondContact O-CB 3.35Å; L485-N488 PolarHBondContact O-N 3.34Å; L485-L491 HydrophobicContact CB-CD1 4.02Å; L485-L491 HydrophobicContact CD2-CD1 3.94Å; L485-L491 WeakPolarHBondContact O-CD1 3.45Å; L485-V498 HydrophobicContact CB-CG1 3.91Å; L485-V498 HydrophobicContact CD1-CG1 4Å; L485-V502 HydrophobicContact CD1-CG2 3.46Å; L485-V502 VanDerWaalsContact CD1-CG2 3.46Å
486	L	82.2	Confident	85.5	Confident	63 Å²	63	79.1 Å²	79.1	33%	0.33	41%	0.411	S	S	.	.	H	α-helix	trans	-76	-15.5	176.6	-62.9	174	0	0	0	113	S482 N488 A495	S482-L486 WeakPolarHBondContact O-CB 3.3Å; S482-L486 VanDerWaalsContact O-CG 3.3Å; S482-L486 WeakPolarHBondContact O-CG 3.3Å; S482-L486 PolarHBondContact O-N 3.28Å; S482-L486 WeakPolarHBondContact OG-CD1 3.5Å; L486-N488 VanDerWaalsContact C-N 3.28Å; L486-A495 HydrophobicContact CD2-CB 3.77Å
487	G	81.8	Confident	85.5	Confident	55 Å²	55	82.8 Å²	82.8	57%	0.567	43%	0.426	S	S	*	.	H	α-helix	trans	-74	-18	169.7	0	0	0	0	0	113.5	K483 V484 L485	K483-G487 PolarHBondContact O-N 2.76Å; V484-G487 PolarHBondContact O-N 2.88Å; L485-G487 VanDerWaalsContact C-N 3.25Å; L485-G487 PolarHBondContact O-N 3.5Å
488	N	83.3	Confident	85.6	Confident	59 Å²	59	78.9 Å²	78.9	32%	0.316	41%	0.405	S	S	.	.	S	Bend	trans	-79.9	118.3	178.5	-171.8	-27.9	0	0	0	110.8	V484 L485 L486 M490 L491 K492	V484-N488 PolarHBondContact O-N 2.94Å; L485-N488 WeakPolarHBondContact O-CB 3.35Å; L485-N488 PolarHBondContact O-N 3.34Å; L486-N488 VanDerWaalsContact C-N 3.28Å; N488-M490 PolarHBondContact O-N 2.87Å; N488-M490 VanDerWaalsContact O-N 3.15Å; N488-M490 VanDerWaalsContact OD1-CB 3.32Å; N488-M490 WeakPolarHBondContact OD1-CB 3.28Å; N488-M490 PolarHBondContact OD1-N 2.94Å; N488-L491 HydrophobicContact CB-CB 4.44Å; N488-L491 HydrophobicContact CB-CD1 4.17Å; N488-L491 HydrophobicContact CB-CG 4.19Å; N488-L491 PolarHBondContact O-N 2.76Å; N488-K492 PolarHBondContact O-N 3.11Å
489	D	83.2	Confident	85.6	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31	-178.4	-72.8	-36.6	0	0	0	113.4	L491 K492	D489-L491 VanDerWaalsContact C-N 3.27Å; D489-L491 PolarHBondContact O-N 3.3Å; D489-K492 PolarHBondContact O-N 2.97Å; D489-K492 WeakPolarHBondContact OD1-CE 3.47Å; D489-K492 IonicContact OD1-NZ 3.11Å; D489-K492 PolarHBondContact OD1-NZ 3.31Å
490	M	84.5	Confident	85.9	Confident	90 Å²	90	72.9 Å²	72.9	44%	0.443	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.4	176.9	-167.7	-136.9	-65.4	0	0	112.6	A460 N488	A460-M490 HydrophobicContact CB-CE 3.58Å; A460-M490 HydrophobicContact CB-SD 3.75Å; N488-M490 PolarHBondContact O-N 2.87Å; N488-M490 VanDerWaalsContact O-N 3.15Å; N488-M490 VanDerWaalsContact OD1-CB 3.32Å; N488-M490 WeakPolarHBondContact OD1-CB 3.28Å; N488-M490 PolarHBondContact OD1-N 2.94Å
491	L	85.5	Confident	86	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.7	-175.1	-61.3	-177.3	0	0	0	113.1	W457 A460 I461 L485 N488 D489 Y494 A495 V498	W457-L491 HydrophobicContact CB-CD2 3.69Å; W457-L491 VanDerWaalsContact O-CD2 3.25Å; W457-L491 WeakPolarHBondContact O-CD2 3.39Å; A460-L491 HydrophobicContact CB-CD2 4.26Å; I461-L491 HydrophobicContact CD1-CD2 4.44Å; I461-L491 HydrophobicContact CG1-CD1 3.81Å; I461-L491 HydrophobicContact CG1-CD2 4.19Å; L485-L491 HydrophobicContact CB-CD1 4.02Å; L485-L491 HydrophobicContact CD2-CD1 3.94Å; L485-L491 WeakPolarHBondContact O-CD1 3.45Å; N488-L491 HydrophobicContact CB-CB 4.44Å; N488-L491 HydrophobicContact CB-CD1 4.17Å; N488-L491 HydrophobicContact CB-CG 4.19Å; N488-L491 PolarHBondContact O-N 2.76Å; D489-L491 VanDerWaalsContact C-N 3.27Å; D489-L491 PolarHBondContact O-N 3.3Å; L491-Y494 CarbonylContact O-C 3.43Å; L491-Y494 WeakPolarHBondContact O-CA 3.48Å; L491-Y494 PolarHBondContact O-N 3.04Å; L491-A495 PolarHBondContact O-N 2.77Å; L491-V498 HydrophobicContact CB-CG2 4.12Å
492	K	82.8	Confident	86.2	Confident	121 Å²	121	68.5 Å²	68.5	53%	0.526	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-54.2	-44.3	179.5	-75.7	-179.8	177.1	168.7	0	114.1	N488 D489 Y494 A495	N488-K492 PolarHBondContact O-N 3.11Å; D489-K492 PolarHBondContact O-N 2.97Å; D489-K492 WeakPolarHBondContact OD1-CE 3.47Å; D489-K492 IonicContact OD1-NZ 3.11Å; D489-K492 PolarHBondContact OD1-NZ 3.31Å; K492-Y494 PolarHBondContact O-N 2.79Å; K492-A495 PolarHBondContact O-N 3.31Å
493	P	86.5	Confident	86.4	Confident	105 Å²	105	69.2 Å²	69.2	68%	0.682	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-61.9	-24.7	176.9	-22.4	34.3	0	0	0	113.4
494	Y	86.5	Confident	86.4	Confident	72 Å²	72	63 Å²	63	28%	0.282	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-106.5	13.6	-174.6	-54.6	-75.7	0	0	0	113.1	W457 L491 K492 K496 K497 V498	W457-Y494 HydrophobicContact CB-CD2 3.53Å; W457-Y494 HydrophobicContact CB-CE2 3.84Å; W457-Y494 HydrophobicContact CB-CG 4.08Å; W457-Y494 AromaticContact CD1-CE1 3.91Å; W457-Y494 AromaticContact CD1-CE2 3.95Å; W457-Y494 AromaticContact CD1-CZ 3.88Å; W457-Y494 HydrophobicContact CD2-CD1 4.42Å; W457-Y494 HydrophobicContact CD2-CD2 4.46Å; W457-Y494 HydrophobicContact CD2-CG 4.11Å; W457-Y494 HydrophobicContact CG-CD1 4.21Å; W457-Y494 AromaticContact CG-CD2 3.74Å; W457-Y494 HydrophobicContact CG-CD2 3.74Å; W457-Y494 HydrophobicContact CG-CE1 4.47Å; W457-Y494 HydrophobicContact CG-CE2 4.03Å; W457-Y494 AromaticContact CG-CG 3.82Å; W457-Y494 HydrophobicContact CG-CG 3.82Å; L491-Y494 CarbonylContact O-C 3.43Å; L491-Y494 WeakPolarHBondContact O-CA 3.48Å; L491-Y494 PolarHBondContact O-N 3.04Å; K492-Y494 PolarHBondContact O-N 2.79Å; Y494-K496 PolarHBondContact O-N 3.31Å; Y494-K497 HydrophobicContact CD1-CD 4.49Å; Y494-K497 WeakPolarHBondContact O-CA 3.11Å; Y494-K497 PolarHBondContact O-N 2.96Å; Y494-V498 WeakPolarHBondContact O-CG2 3.23Å; Y494-V498 PolarHBondContact O-N 3.5Å; Y494-V498 VanDerWaalsContact O-N 3.09Å
495	A	84.5	Confident	86.5	Confident	44 Å²	44	59.9 Å²	59.9	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-49	-36	-171.6	0	0	0	0	0	114.5	L486 L491 K492	L486-A495 HydrophobicContact CD2-CB 3.77Å; L491-A495 PolarHBondContact O-N 2.77Å; K492-A495 PolarHBondContact O-N 3.31Å
496	K	87.4	Confident	86.6	Confident	201 Å²	201	62.2 Å²	62.2	87%	0.874	34%	0.336	S	S	*	.	H	α-helix	trans	-71.3	-26.9	176.1	-66	-173.9	-179.6	-179.5	0	114.2	Y494 P500	Y494-K496 PolarHBondContact O-N 3.31Å; K496-P500 WeakPolarHBondContact O-CD 3.47Å; K496-P500 WeakPolarHBondContact O-CG 3.32Å
497	K	87.7	Confident	86.9	Confident	90 Å²	90	65.8 Å²	65.8	39%	0.391	35%	0.352	S	S	.	.	H	α-helix	trans	-90.7	-23.4	179.8	-62.5	-174.1	-179.6	180	0	112.8	W457 Y494 P500 F501 E553	W457-K497 HydrophobicContact CH2-CB 3.71Å; W457-K497 HydrophobicContact CH2-CD 4.5Å; W457-K497 HydrophobicContact CZ2-CB 4.16Å; W457-K497 HydrophobicContact CZ2-CD 4.11Å; W457-K497 HydrophobicContact CZ3-CB 4.14Å; Y494-K497 HydrophobicContact CD1-CD 4.49Å; Y494-K497 WeakPolarHBondContact O-CA 3.11Å; Y494-K497 PolarHBondContact O-N 2.96Å; K497-P500 WeakPolarHBondContact O-CD 3.44Å; K497-F501 WeakPolarHBondContact O-CB 3.49Å; K497-F501 PolarHBondContact O-N 2.89Å; K497-F501 VanDerWaalsContact O-N 3.13Å; K497-E553 IonicContact NZ-OE1 2.76Å; K497-E553 IonicContact NZ-OE2 2.67Å; K497-E553 PolarHBondContact NZ-OE2 3.2Å
498	V	88.9	Confident	87	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-59.6	-176	173.4	0	0	0	0	112.2	I461 L485 L491 Y494 F501 V502	I461-V498 HydrophobicContact CD1-CB 4.31Å; I461-V498 HydrophobicContact CD1-CG1 3.95Å; I461-V498 HydrophobicContact CD1-CG2 4.22Å; I461-V498 HydrophobicContact CG1-CG1 4.46Å; L485-V498 HydrophobicContact CB-CG1 3.91Å; L485-V498 HydrophobicContact CD1-CG1 4Å; L491-V498 HydrophobicContact CB-CG2 4.12Å; Y494-V498 WeakPolarHBondContact O-CG2 3.23Å; Y494-V498 PolarHBondContact O-N 3.5Å; Y494-V498 VanDerWaalsContact O-N 3.09Å; V498-F501 WeakPolarHBondContact O-CB 3.48Å; V498-F501 PolarHBondContact O-N 3.38Å; V498-F501 VanDerWaalsContact O-N 3.16Å; V498-V502 HydrophobicContact CG1-CG2 4.4Å; V498-V502 WeakPolarHBondContact O-CG2 3.16Å; V498-V502 PolarHBondContact O-N 3.46Å
499	M	89.9	Confident	87.2	Confident	49 Å²	49	64.6 Å²	64.6	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-38.1	-174.1	-65.1	-54	-60.6	0	0	114	N478 F501 V502 A503	N478-M499 HydrophobicContact CB-CE 4.08Å; M499-F501 VanDerWaalsContact C-N 3.3Å; M499-F501 PolarHBondContact O-N 3.46Å; M499-V502 PolarHBondContact O-N 2.99Å; M499-A503 PolarHBondContact O-N 3.48Å
500	P	90.6	Very high	87.4	Confident	82 Å²	82	63.4 Å²	63.4	53%	0.532	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-40.5	169.3	-27.6	35.6	0	0	0	113.3	K496 K497 A503 F504	K496-P500 WeakPolarHBondContact O-CD 3.47Å; K496-P500 WeakPolarHBondContact O-CG 3.32Å; K497-P500 WeakPolarHBondContact O-CD 3.44Å; P500-A503 PolarHBondContact O-N 3.29Å; P500-F504 PolarHBondContact O-N 3.3Å; P500-F504 VanDerWaalsContact O-N 3.09Å
501	F	88.7	Confident	87.2	Confident	11 Å²	11	63 Å²	63	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-42.2	176.3	-177.8	-99.2	0	0	0	111.8	Y454 W457 Q458 I461 L462 K497 V498 M499 A503 F504 V505 R556	Y454-F501 HydrophobicContact CD1-CZ 4.5Å; Y454-F501 HydrophobicContact CE1-CZ 4.44Å; W457-F501 HydrophobicContact CH2-CB 4Å; W457-F501 HydrophobicContact CH2-CD2 4.4Å; W457-F501 HydrophobicContact CH2-CG 4.21Å; W457-F501 HydrophobicContact CZ3-CB 3.89Å; W457-F501 HydrophobicContact CZ3-CD1 4.4Å; W457-F501 HydrophobicContact CZ3-CG 4.09Å; Q458-F501 HydrophobicContact CB-CE1 3.94Å; Q458-F501 HydrophobicContact CB-CE2 4.07Å; Q458-F501 HydrophobicContact CB-CZ 3.64Å; Q458-F501 HydrophobicContact CG-CD1 4.37Å; Q458-F501 HydrophobicContact CG-CD2 3.99Å; Q458-F501 HydrophobicContact CG-CE1 4.1Å; Q458-F501 HydrophobicContact CG-CE2 3.67Å; Q458-F501 HydrophobicContact CG-CG 4.33Å; Q458-F501 HydrophobicContact CG-CZ 3.75Å; I461-F501 HydrophobicContact CB-CD1 4.26Å; I461-F501 HydrophobicContact CB-CE1 4.23Å; I461-F501 HydrophobicContact CD1-CD1 3.85Å; I461-F501 HydrophobicContact CD1-CE1 4.49Å; I461-F501 HydrophobicContact CG2-CD1 3.99Å; I461-F501 HydrophobicContact CG2-CE1 4.15Å; L462-F501 HydrophobicContact CD1-CZ 4.3Å; L462-F501 HydrophobicContact CD2-CE1 4.34Å; L462-F501 HydrophobicContact CD2-CZ 4.43Å; L462-F501 HydrophobicContact CG-CE1 4.13Å; L462-F501 HydrophobicContact CG-CZ 4.22Å; K497-F501 WeakPolarHBondContact O-CB 3.49Å; K497-F501 PolarHBondContact O-N 2.89Å; K497-F501 VanDerWaalsContact O-N 3.13Å; V498-F501 WeakPolarHBondContact O-CB 3.48Å; V498-F501 PolarHBondContact O-N 3.38Å; V498-F501 VanDerWaalsContact O-N 3.16Å; M499-F501 VanDerWaalsContact C-N 3.3Å; M499-F501 PolarHBondContact O-N 3.46Å; F501-A503 VanDerWaalsContact C-N 3.33Å; F501-A503 PolarHBondContact O-N 2.99Å; F501-F504 WeakPolarHBondContact O-CB 3.44Å; F501-F504 PolarHBondContact O-N 3.08Å; F501-V505 HydrophobicContact CD1-CG2 4.07Å; F501-V505 HydrophobicContact CE1-CG2 3.68Å; F501-V505 HydrophobicContact CE2-CG2 4.42Å; F501-V505 HydrophobicContact CZ-CG2 3.87Å; F501-V505 WeakPolarHBondContact O-CG2 3.35Å; F501-V505 PolarHBondContact O-N 3.28Å; F501-R556 VanDerWaalsContact CE2-NH1 3.28Å
502	V	90.4	Very high	86.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-43.6	174.2	172.1	0	0	0	0	111.3	I461 L481 L485 V498 M499 F504 V505 K506	I461-V502 HydrophobicContact CG2-CG2 3.73Å; L481-V502 HydrophobicContact CD1-CG1 3.83Å; L485-V502 HydrophobicContact CD1-CG2 3.46Å; L485-V502 VanDerWaalsContact CD1-CG2 3.46Å; V498-V502 HydrophobicContact CG1-CG2 4.4Å; V498-V502 WeakPolarHBondContact O-CG2 3.16Å; V498-V502 PolarHBondContact O-N 3.46Å; M499-V502 PolarHBondContact O-N 2.99Å; V502-F504 VanDerWaalsContact C-N 3.34Å; V502-F504 PolarHBondContact O-N 3.34Å; V502-V505 PolarHBondContact O-N 3.47Å; V502-K506 HydrophobicContact CG1-CD 4.08Å; V502-K506 HydrophobicContact CG1-CG 4.37Å; V502-K506 WeakPolarHBondContact O-CG 3.33Å; V502-K506 PolarHBondContact O-N 2.76Å
503	A	89.9	Confident	87	Confident	50 Å²	50	64.2 Å²	64.2	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-45.7	177.4	0	0	0	0	0	111.5	M499 P500 F501 V505 K506 E507	M499-A503 PolarHBondContact O-N 3.48Å; P500-A503 PolarHBondContact O-N 3.29Å; F501-A503 VanDerWaalsContact C-N 3.33Å; F501-A503 PolarHBondContact O-N 2.99Å; A503-V505 PolarHBondContact O-N 2.88Å; A503-K506 PolarHBondContact O-N 3.34Å; A503-E507 PolarHBondContact O-N 3.45Å
504	F	86.6	Confident	86.9	Confident	45 Å²	45	61.1 Å²	61.1	20%	0.197	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-42.9	174.6	168.9	-95.6	0	0	0	112.8	P500 F501 V502 E507 N508 R556 K559	P500-F504 PolarHBondContact O-N 3.3Å; P500-F504 VanDerWaalsContact O-N 3.09Å; F501-F504 WeakPolarHBondContact O-CB 3.44Å; F501-F504 PolarHBondContact O-N 3.08Å; V502-F504 VanDerWaalsContact C-N 3.34Å; V502-F504 PolarHBondContact O-N 3.34Å; F504-E507 PolarHBondContact O-N 2.77Å; F504-N508 WeakPolarHBondContact CE1-ND2 3.31Å; F504-N508 WeakPolarHBondContact CE2-ND2 3.22Å; F504-N508 WeakPolarHBondContact CZ-ND2 3.24Å; F504-N508 PolarHBondContact O-N 3.09Å; F504-N508 VanDerWaalsContact O-N 3.09Å; F504-N508 PolarHBondContact O-ND2 3.09Å; F504-R556 VanDerWaalsContact CE1-NH2 3.25Å; F504-K559 HydrophobicContact CE2-CD 4.49Å; F504-K559 HydrophobicContact CZ-CD 4.14Å
505	V	88	Confident	86.6	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-39.6	177.5	175.3	0	0	0	0	110.9	L462 L465 F501 V502 A503 E507 N508 Y509 L517	L462-V505 HydrophobicContact CD2-CG1 3.96Å; L462-V505 HydrophobicContact CD2-CG2 3.83Å; L465-V505 HydrophobicContact CD1-CB 4.17Å; L465-V505 HydrophobicContact CD1-CG1 3.7Å; F501-V505 HydrophobicContact CD1-CG2 4.07Å; F501-V505 HydrophobicContact CE1-CG2 3.68Å; F501-V505 HydrophobicContact CE2-CG2 4.42Å; F501-V505 HydrophobicContact CZ-CG2 3.87Å; F501-V505 WeakPolarHBondContact O-CG2 3.35Å; F501-V505 PolarHBondContact O-N 3.28Å; V502-V505 PolarHBondContact O-N 3.47Å; A503-V505 PolarHBondContact O-N 2.88Å; V505-E507 VanDerWaalsContact C-N 3.35Å; V505-E507 PolarHBondContact O-N 3.5Å; V505-N508 PolarHBondContact O-N 3.36Å; V505-Y509 VanDerWaalsContact O-CB 3.29Å; V505-Y509 WeakPolarHBondContact O-CB 3.12Å; V505-Y509 PolarHBondContact O-N 2.89Å; V505-L517 HydrophobicContact CG1-CD2 3.56Å
506	K	89.5	Confident	86.5	Confident	50 Å²	50	59.7 Å²	59.7	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-36.2	176.9	-70.7	-176.4	83.9	168.3	0	112.5	L475 P476 N478 L481 V502 A503 Y509 A510	L475-K506 HydrophobicContact CD1-CG 3.97Å; P476-K506 PolarHBondContact O-NZ 2.8Å; N478-K506 PolarHBondContact OD1-NZ 3Å; L481-K506 HydrophobicContact CD1-CD 4.23Å; V502-K506 HydrophobicContact CG1-CD 4.08Å; V502-K506 HydrophobicContact CG1-CG 4.37Å; V502-K506 WeakPolarHBondContact O-CG 3.33Å; V502-K506 PolarHBondContact O-N 2.76Å; A503-K506 PolarHBondContact O-N 3.34Å; K506-Y509 PolarHBondContact O-N 3.29Å; K506-A510 PolarHBondContact O-N 2.77Å
507	E	88.9	Confident	86.3	Confident	139 Å²	139	50.2 Å²	50.2	65%	0.65	30%	0.296	S	S	*	.	H	α-helix	trans	-62.3	-47.7	173	-172.6	-179.4	179.5	0	0	111.1	A503 F504 V505 Y509 A510 A511	A503-E507 PolarHBondContact O-N 3.45Å; F504-E507 PolarHBondContact O-N 2.77Å; V505-E507 VanDerWaalsContact C-N 3.35Å; V505-E507 PolarHBondContact O-N 3.5Å; E507-Y509 VanDerWaalsContact C-N 3.34Å; E507-Y509 PolarHBondContact O-N 3.37Å; E507-A510 PolarHBondContact O-N 2.78Å; E507-A511 PolarHBondContact O-N 2.86Å
508	N	83.7	Confident	86	Confident	43 Å²	43	50.9 Å²	50.9	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-67	-34.8	175.6	-68.8	-40.5	0	0	0	112.7	F504 V505 A510 A511 K512 A516	F504-N508 WeakPolarHBondContact CE1-ND2 3.31Å; F504-N508 WeakPolarHBondContact CE2-ND2 3.22Å; F504-N508 WeakPolarHBondContact CZ-ND2 3.24Å; F504-N508 PolarHBondContact O-N 3.09Å; F504-N508 VanDerWaalsContact O-N 3.09Å; F504-N508 PolarHBondContact O-ND2 3.09Å; V505-N508 PolarHBondContact O-N 3.36Å; N508-A510 VanDerWaalsContact C-N 3.31Å; N508-A511 PolarHBondContact O-N 3.41Å; N508-A511 VanDerWaalsContact O-N 3.15Å; N508-K512 WeakPolarHBondContact O-CB 3.31Å; N508-K512 PolarHBondContact O-N 3.18Å; N508-A516 HydrophobicContact CB-CB 3.74Å
509	Y	87.3	Confident	85.7	Confident	45 Å²	45	53.6 Å²	53.6	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-36.7	176.4	180	-90.7	0	0	0	111.3	H469 E473 L475 V505 K506 E507 A511 G513 L517	H469-Y509 PolarHBondContact CE1-OH 3.45Å; H469-Y509 AromaticContact ND1-CE2 3.83Å; H469-Y509 AromaticContact ND1-CZ 3.71Å; H469-Y509 PolarHBondContact ND1-OH 3.41Å; E473-Y509 PolarHBondContact O-OH 2.69Å; L475-Y509 HydrophobicContact CD1-CD1 3.62Å; L475-Y509 HydrophobicContact CD1-CD2 3.91Å; L475-Y509 HydrophobicContact CD1-CE1 4.11Å; L475-Y509 HydrophobicContact CD1-CE2 4.35Å; L475-Y509 HydrophobicContact CD1-CG 3.52Å; L475-Y509 HydrophobicContact CG-CD1 4.07Å; L475-Y509 HydrophobicContact CG-CD2 4.37Å; L475-Y509 HydrophobicContact CG-CE1 4.03Å; L475-Y509 HydrophobicContact CG-CE2 4.31Å; L475-Y509 HydrophobicContact CG-CG 4.25Å; V505-Y509 VanDerWaalsContact O-CB 3.29Å; V505-Y509 WeakPolarHBondContact O-CB 3.12Å; V505-Y509 PolarHBondContact O-N 2.89Å; K506-Y509 PolarHBondContact O-N 3.29Å; E507-Y509 VanDerWaalsContact C-N 3.34Å; E507-Y509 PolarHBondContact O-N 3.37Å; Y509-A511 VanDerWaalsContact C-N 3.26Å; Y509-A511 PolarHBondContact O-N 3.36Å; Y509-G513 WeakPolarHBondContact CD2-O 3.37Å; Y509-G513 WeakPolarHBondContact O-CA 3.32Å; Y509-G513 PolarHBondContact O-N 2.88Å; Y509-L517 HydrophobicContact CD2-CD1 3.87Å; Y509-L517 HydrophobicContact CD2-CD2 4.31Å; Y509-L517 HydrophobicContact CD2-CG 3.93Å; Y509-L517 HydrophobicContact CE2-CD1 3.84Å; Y509-L517 HydrophobicContact CE2-CG 4.37Å
510	A	86.9	Confident	85.2	Confident	90 Å²	90	57.4 Å²	57.4	74%	0.744	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-32.3	172.8	0	0	0	0	0	112.4	K506 E507 N508	K506-A510 PolarHBondContact O-N 2.77Å; E507-A510 PolarHBondContact O-N 2.78Å; N508-A510 VanDerWaalsContact C-N 3.31Å
511	A	81.1	Confident	84.8	Confident	81 Å²	81	56.1 Å²	56.1	67%	0.669	32%	0.315	S	S	*	.	H	α-helix	trans	-87.5	-38.1	-178.9	0	0	0	0	0	114.3	E507 N508 Y509	E507-A511 PolarHBondContact O-N 2.86Å; N508-A511 PolarHBondContact O-N 3.41Å; N508-A511 VanDerWaalsContact O-N 3.15Å; Y509-A511 VanDerWaalsContact C-N 3.26Å; Y509-A511 PolarHBondContact O-N 3.36Å
512	K	80.2	Confident	84.6	Confident	119 Å²	119	58.9 Å²	58.9	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-121.3	0.6	-169.1	-58.9	-176.6	-180	-175.6	0	113.4	N508	N508-K512 WeakPolarHBondContact O-CB 3.31Å; N508-K512 PolarHBondContact O-N 3.18Å
513	G	84.4	Confident	84.5	Confident	29 Å²	29	60.3 Å²	60.3	30%	0.299	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	62.8	-142.8	-178.4	0	0	0	0	0	113	Y509 D515 A516	Y509-G513 WeakPolarHBondContact CD2-O 3.37Å; Y509-G513 WeakPolarHBondContact O-CA 3.32Å; Y509-G513 PolarHBondContact O-N 2.88Å; G513-D515 PolarHBondContact O-N 3.02Å; G513-D515 VanDerWaalsContact O-N 3.14Å; G513-A516 WeakPolarHBondContact O-CB 3.35Å; G513-A516 PolarHBondContact O-N 3.31Å; G513-A516 VanDerWaalsContact O-N 3.13Å
514	A	83.8	Confident	84.6	Confident	40 Å²	40	62.4 Å²	62.4	33%	0.331	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-59.4	-24.3	-178.2	0	0	0	0	0	113.9	A516 L517	A514-A516 PolarHBondContact O-N 3.28Å; A514-A516 VanDerWaalsContact O-N 3.16Å; A514-L517 WeakPolarHBondContact O-CB 3.41Å; A514-L517 PolarHBondContact O-N 3.13Å
515	D	79.8	Confident	84.7	Confident	67 Å²	67	60.8 Å²	60.8	36%	0.358	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-61.8	-24	178.1	-81.4	5	0	0	0	112.3	K410 G513 L517 R518	K410-D515 IonicContact NZ-OD2 2.86Å; K410-D515 PolarHBondContact NZ-OD2 2.8Å; G513-D515 PolarHBondContact O-N 3.02Å; G513-D515 VanDerWaalsContact O-N 3.14Å; D515-L517 PolarHBondContact O-N 2.98Å; D515-R518 PolarHBondContact O-N 3.21Å; D515-R518 IonicContact OD1-CZ 2.97Å; D515-R518 IonicContact OD1-NE 2.64Å; D515-R518 PolarHBondContact OD1-NE 3.07Å; D515-R518 IonicContact OD1-NH2 3.67Å; D515-R518 PolarHBondContact OD1-NH2 3.42Å; D515-R518 IonicContact OD2-NH2 2.84Å
516	A	82.2	Confident	84.9	Confident	19 Å²	19	61 Å²	61	16%	0.157	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-70.7	-13.7	175	0	0	0	0	0	114.4	N508 G513 A514	N508-A516 HydrophobicContact CB-CB 3.74Å; G513-A516 WeakPolarHBondContact O-CB 3.35Å; G513-A516 PolarHBondContact O-N 3.31Å; G513-A516 VanDerWaalsContact O-N 3.13Å; A514-A516 PolarHBondContact O-N 3.28Å; A514-A516 VanDerWaalsContact O-N 3.16Å
517	L	84.3	Confident	85	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-98.7	-2.6	-178.4	-55.9	178.6	0	0	0	112.8	L465 F466 H469 L475 V505 Y509 A514 D515	L465-L517 HydrophobicContact CB-CD2 3.85Å; L465-L517 HydrophobicContact CD1-CD2 4.36Å; F466-L517 HydrophobicContact CB-CB 4.41Å; F466-L517 HydrophobicContact CD2-CB 4.1Å; H469-L517 HydrophobicContact CB-CD1 3.72Å; L475-L517 HydrophobicContact CD2-CD1 4.21Å; V505-L517 HydrophobicContact CG1-CD2 3.56Å; Y509-L517 HydrophobicContact CD2-CD1 3.87Å; Y509-L517 HydrophobicContact CD2-CD2 4.31Å; Y509-L517 HydrophobicContact CD2-CG 3.93Å; Y509-L517 HydrophobicContact CE2-CD1 3.84Å; Y509-L517 HydrophobicContact CE2-CG 4.37Å; A514-L517 WeakPolarHBondContact O-CB 3.41Å; A514-L517 PolarHBondContact O-N 3.13Å; D515-L517 PolarHBondContact O-N 2.98Å
518	R	81.1	Confident	85.2	Confident	104 Å²	104	56.9 Å²	56.9	39%	0.392	32%	0.321	S	S	.	.			trans	-66.5	139.3	-178.8	-66.9	-175	-173.2	-156.4	0.1	110.9	D515 Q520 D522	D515-R518 PolarHBondContact O-N 3.21Å; D515-R518 IonicContact OD1-CZ 2.97Å; D515-R518 IonicContact OD1-NE 2.64Å; D515-R518 PolarHBondContact OD1-NE 3.07Å; D515-R518 IonicContact OD1-NH2 3.67Å; D515-R518 PolarHBondContact OD1-NH2 3.42Å; D515-R518 IonicContact OD2-NH2 2.84Å; R518-Q520 VanDerWaalsContact C-N 3.34Å; R518-Q520 WeakPolarHBondContact CB-O 3.34Å; R518-D522 IonicContact CZ-OD1 3.09Å; R518-D522 VanDerWaalsContact NH1-CG 3.27Å; R518-D522 IonicContact NH1-OD1 2.7Å; R518-D522 PolarHBondContact NH1-OD1 3.16Å; R518-D522 IonicContact NH1-OD2 3.92Å; R518-D522 PolarHBondContact NH1-OD2 3.25Å; R518-D522 VanDerWaalsContact NH1-OD2 3.1Å
519	L	82.3	Confident	85.6	Confident	56 Å²	56	55 Å²	55	29%	0.293	31%	0.31	S	S	.	.	S	Bend	trans	-80.3	-19.4	177.1	-63.6	179.2	0	0	0	113.1	Y454 E459 L462 K463	Y454-L519 WeakPolarHBondContact CD2-O 3.46Å; E459-L519 HydrophobicContact CG-CD1 4.24Å; E459-L519 HydrophobicContact CG-CD2 3.85Å; L462-L519 HydrophobicContact CB-CD2 3.62Å; L462-L519 HydrophobicContact CD1-CD2 4Å; L462-L519 HydrophobicContact CG-CD2 4.48Å; K463-L519 HydrophobicContact CD-CD1 4.36Å; K463-L519 VanDerWaalsContact CE-CD1 3.46Å; K463-L519 HydrophobicContact CG-CD1 3.89Å; K463-L519 HydrophobicContact CG-CD2 4.39Å
520	Q	79.6	Confident	85.8	Confident	129 Å²	129	57.2 Å²	57.2	60%	0.603	33%	0.325	S	S	*	.	S	Bend	trans	-136.7	156.3	-176.8	-69.2	-176.6	-12.7	0	0	109.7	R518	R518-Q520 VanDerWaalsContact C-N 3.34Å; R518-Q520 WeakPolarHBondContact CB-O 3.34Å
521	I	82	Confident	85.9	Confident	55 Å²	55	57 Å²	57	28%	0.282	31%	0.308	S	S	.	.			trans	-96.9	149.3	177.4	-71.8	172.5	0	0	0	109.4	F523 E525 P557	I521-F523 HydrophobicContact CG2-CD1 3.64Å; I521-F523 HydrophobicContact CG2-CD2 4.04Å; I521-F523 HydrophobicContact CG2-CE1 3.51Å; I521-F523 HydrophobicContact CG2-CE2 3.92Å; I521-F523 HydrophobicContact CG2-CG 3.91Å; I521-F523 HydrophobicContact CG2-CZ 3.65Å; I521-F523 PolarHBondContact O-N 3.48Å; I521-F523 VanDerWaalsContact O-N 3.12Å; I521-E525 HydrophobicContact CD1-CG 4.32Å; I521-E525 WeakPolarHBondContact CD1-OE1 3.33Å; I521-P557 HydrophobicContact CD1-CB 3.85Å; I521-P557 HydrophobicContact CG1-CB 4.21Å
522	D	85	Confident	86.4	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	28%	0.279	S	S	.	.	S	Bend	trans	-71.9	-3.5	-172.9	-55.1	-19.8	0	0	0	112.9	L407 K410 R518	L407-D522 HydrophobicContact CD1-CB 3.73Å; K410-D522 IonicContact NZ-OD2 2.7Å; K410-D522 PolarHBondContact NZ-OD2 3.02Å; R518-D522 IonicContact CZ-OD1 3.09Å; R518-D522 VanDerWaalsContact NH1-CG 3.27Å; R518-D522 IonicContact NH1-OD1 2.7Å; R518-D522 PolarHBondContact NH1-OD1 3.16Å; R518-D522 IonicContact NH1-OD2 3.92Å; R518-D522 PolarHBondContact NH1-OD2 3.25Å; R518-D522 VanDerWaalsContact NH1-OD2 3.1Å
523	F	89.1	Confident	86.9	Confident	29 Å²	29	49.7 Å²	49.7	13%	0.127	26%	0.264	C	S	.	.	S	Bend	trans	-145.3	161.9	-178.4	56.9	-92.7	0	0	0	112.1	L407 K410 Q411 Y414 I521 E525 L528	L407-F523 HydrophobicContact CD1-CB 4.1Å; L407-F523 HydrophobicContact CD1-CD1 3.92Å; L407-F523 HydrophobicContact CD1-CG 4.5Å; K410-F523 HydrophobicContact CB-CE1 4.22Å; Q411-F523 HydrophobicContact CG-CB 4.09Å; Q411-F523 HydrophobicContact CG-CD1 3.59Å; Q411-F523 HydrophobicContact CG-CD2 3.86Å; Q411-F523 HydrophobicContact CG-CE1 3.91Å; Q411-F523 HydrophobicContact CG-CE2 4.16Å; Q411-F523 HydrophobicContact CG-CG 3.56Å; Q411-F523 HydrophobicContact CG-CZ 4.18Å; Q411-F523 VanDerWaalsContact NE2-CB 3.33Å; Y414-F523 AromaticContact CD1-CE2 3.99Å; Y414-F523 HydrophobicContact CD1-CE2 3.99Å; Y414-F523 HydrophobicContact CD1-CZ 4.14Å; Y414-F523 HydrophobicContact CD2-CZ 4.2Å; Y414-F523 HydrophobicContact CE1-CE2 4.36Å; Y414-F523 HydrophobicContact CG-CE2 4.07Å; Y414-F523 AromaticContact CG-CZ 3.77Å; Y414-F523 HydrophobicContact CG-CZ 3.77Å; I521-F523 HydrophobicContact CG2-CD1 3.64Å; I521-F523 HydrophobicContact CG2-CD2 4.04Å; I521-F523 HydrophobicContact CG2-CE1 3.51Å; I521-F523 HydrophobicContact CG2-CE2 3.92Å; I521-F523 HydrophobicContact CG2-CG 3.91Å; I521-F523 HydrophobicContact CG2-CZ 3.65Å; I521-F523 PolarHBondContact O-N 3.48Å; I521-F523 VanDerWaalsContact O-N 3.12Å; F523-E525 HydrophobicContact CE2-CG 4.2Å; F523-E525 PolarHBondContact O-N 3.29Å; F523-L528 HydrophobicContact CD2-CD2 4.01Å; F523-L528 HydrophobicContact CE2-CD2 3.62Å; F523-L528 HydrophobicContact CZ-CD2 4.4Å
524	D	90.4	Very high	86.9	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	28%	0.279	S	S	.	.			trans	-77	106.6	175.6	-173.6	-28.1	0	0	0	110.8	S526 N527 L528	D524-S526 WeakPolarHBondContact OD1-CB 3.41Å; D524-S526 PolarHBondContact OD1-N 3.45Å; D524-S526 VanDerWaalsContact OD1-N 3.07Å; D524-N527 HydrophobicContact CB-CB 3.97Å; D524-N527 VanDerWaalsContact CG-CB 3.49Å; D524-N527 PolarHBondContact OD1-N 3.35Å; D524-L528 WeakPolarHBondContact O-CB 3.14Å; D524-L528 PolarHBondContact O-N 3.24Å; D524-L528 VanDerWaalsContact O-N 3.13Å
525	E	90.4	Very high	87.1	Confident	11 Å²	11	52.5 Å²	52.5	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-43.7	179	-68.9	-162.5	159.4	0	0	112.8	Y414 V450 I521 F523 N527 L528 L529 G558	Y414-E525 HydrophobicContact CE2-CG 4.2Å; Y414-E525 WeakPolarHBondContact CE2-OE1 3.45Å; Y414-E525 PolarHBondContact OH-OE1 3.15Å; Y414-E525 PolarHBondContact OH-OE2 3.47Å; Y414-E525 VanDerWaalsContact OH-OE2 3.12Å; V450-E525 HydrophobicContact CG1-CB 3.63Å; I521-E525 HydrophobicContact CD1-CG 4.32Å; I521-E525 WeakPolarHBondContact CD1-OE1 3.33Å; F523-E525 HydrophobicContact CE2-CG 4.2Å; F523-E525 PolarHBondContact O-N 3.29Å; E525-N527 VanDerWaalsContact C-N 3.34Å; E525-N527 PolarHBondContact O-N 3.21Å; E525-L528 PolarHBondContact O-N 2.77Å; E525-L529 WeakPolarHBondContact O-CG 3.35Å; E525-L529 PolarHBondContact O-N 3.44Å; E525-G558 WeakPolarHBondContact OE1-CA 3.13Å; E525-G558 PolarHBondContact OE1-N 2.82Å
526	S	90.7	Very high	87.7	Confident	9 Å²	9	49.5 Å²	49.5	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-50.8	-179.1	-67.5	0	0	0	0	109.9	D524 L528 L529 L530 E549	D524-S526 WeakPolarHBondContact OD1-CB 3.41Å; D524-S526 PolarHBondContact OD1-N 3.45Å; D524-S526 VanDerWaalsContact OD1-N 3.07Å; S526-L528 VanDerWaalsContact C-N 3.33Å; S526-L528 PolarHBondContact O-N 3.2Å; S526-L529 PolarHBondContact O-N 3.03Å; S526-L530 WeakPolarHBondContact O-CB 3.35Å; S526-L530 WeakPolarHBondContact O-CG 3.46Å; S526-L530 PolarHBondContact O-N 3.48Å; S526-E549 WeakPolarHBondContact CB-OE1 3.35Å; S526-E549 WeakPolarHBondContact OG-CG 3.3Å; S526-E549 PolarHBondContact OG-OE1 3.19Å
527	N	91.6	Very high	88.1	Confident	97 Å²	97	49.5 Å²	49.5	52%	0.519	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-39.7	-178.9	-170.2	43.2	0	0	0	111.9	D524 E525 L530 E531	D524-N527 HydrophobicContact CB-CB 3.97Å; D524-N527 VanDerWaalsContact CG-CB 3.49Å; D524-N527 PolarHBondContact OD1-N 3.35Å; E525-N527 VanDerWaalsContact C-N 3.34Å; E525-N527 PolarHBondContact O-N 3.21Å; N527-L530 PolarHBondContact O-N 2.9Å; N527-E531 WeakPolarHBondContact O-CB 3.26Å; N527-E531 PolarHBondContact O-N 3.41Å
528	L	92.5	Very high	88.1	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-43	176.6	178.9	64	0	0	0	112.5	F305 Q411 Y414 F523 D524 E525 S526 N532	F305-L528 HydrophobicContact CD1-CD1 4.27Å; F305-L528 HydrophobicContact CD2-CD1 3.67Å; F305-L528 HydrophobicContact CE1-CD1 3.93Å; F305-L528 HydrophobicContact CE2-CD1 3.32Å; F305-L528 HydrophobicContact CG-CD1 4.14Å; F305-L528 HydrophobicContact CZ-CD1 3.47Å; F305-L528 VanDerWaalsContact CZ-CD1 3.47Å; Q411-L528 HydrophobicContact CB-CD1 4.36Å; Q411-L528 HydrophobicContact CB-CD2 3.93Å; Q411-L528 HydrophobicContact CG-CD2 4.11Å; Y414-L528 HydrophobicContact CD1-CD2 3.58Å; Y414-L528 HydrophobicContact CE1-CD2 3.99Å; F523-L528 HydrophobicContact CD2-CD2 4.01Å; F523-L528 HydrophobicContact CE2-CD2 3.62Å; F523-L528 HydrophobicContact CZ-CD2 4.4Å; D524-L528 WeakPolarHBondContact O-CB 3.14Å; D524-L528 PolarHBondContact O-N 3.24Å; D524-L528 VanDerWaalsContact O-N 3.13Å; E525-L528 PolarHBondContact O-N 2.77Å; S526-L528 VanDerWaalsContact C-N 3.33Å; S526-L528 PolarHBondContact O-N 3.2Å; L528-N532 PolarHBondContact O-N 2.92Å; L528-N532 PolarHBondContact O-ND2 2.85Å
529	L	92.5	Very high	88.4	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-37.9	177.9	-67.8	173.1	0	0	0	111.8	Y414 L415 V418 V448 V450 E525 S526 N532 L533 I536 V547 P560	Y414-L529 HydrophobicContact CE1-CD2 4.25Å; Y414-L529 HydrophobicContact CE1-CG 4.44Å; L415-L529 HydrophobicContact CD1-CD2 4.17Å; V418-L529 HydrophobicContact CG1-CD2 4.12Å; V448-L529 HydrophobicContact CG1-CD1 3.96Å; V450-L529 HydrophobicContact CG2-CD1 3.59Å; E525-L529 WeakPolarHBondContact O-CG 3.35Å; E525-L529 PolarHBondContact O-N 3.44Å; S526-L529 PolarHBondContact O-N 3.03Å; L529-N532 CarbonylContact O-C 3.33Å; L529-N532 PolarHBondContact O-N 2.89Å; L529-L533 WeakPolarHBondContact O-CA 3.14Å; L529-L533 PolarHBondContact O-N 2.89Å; L529-I536 HydrophobicContact CD2-CD1 3.9Å; L529-V547 HydrophobicContact CB-CG2 4.15Å; L529-P560 HydrophobicContact CD1-CB 4.28Å; L529-P560 HydrophobicContact CD1-CG 4.35Å
530	L	91.7	Very high	88.8	Confident	93 Å²	93	46 Å²	46	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-42.8	174.6	-73.4	170.3	0	0	0	111.6	S526 N527 N532 L533 V547	S526-L530 WeakPolarHBondContact O-CB 3.35Å; S526-L530 WeakPolarHBondContact O-CG 3.46Å; S526-L530 PolarHBondContact O-N 3.48Å; N527-L530 PolarHBondContact O-N 2.9Å; L530-N532 PolarHBondContact O-N 3.03Å; L530-L533 HydrophobicContact CD2-CD1 4.09Å; L530-L533 WeakPolarHBondContact O-CB 3.46Å; L530-L533 PolarHBondContact O-N 3.43Å; L530-V547 HydrophobicContact CD2-CB 3.95Å; L530-V547 HydrophobicContact CD2-CG2 3.95Å; L530-V547 HydrophobicContact CG-CB 4.3Å; L530-V547 HydrophobicContact CG-CG2 4.26Å
531	E	90.1	Very high	89.1	Confident	85 Å²	85	45.9 Å²	45.9	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-29.6	177.1	-168.2	-179.7	170.4	0	0	112.2	F305 R308 N527	F305-E531 HydrophobicContact CB-CG 4.23Å; F305-E531 WeakPolarHBondContact CB-OE1 3.14Å; F305-E531 PolarHBondContact N-OE1 3.02Å; R308-E531 IonicContact CZ-OE1 3.1Å; R308-E531 IonicContact NH2-OE1 2.8Å; R308-E531 PolarHBondContact NH2-OE1 2.91Å; R308-E531 IonicContact NH2-OE2 2.86Å; R308-E531 PolarHBondContact NH2-OE2 3.27Å; N527-E531 WeakPolarHBondContact O-CB 3.26Å; N527-E531 PolarHBondContact O-N 3.41Å
532	N	91.2	Very high	89.3	Confident	11 Å²	11	43.3 Å²	43.3	6%	0.059	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	14.2	-177.7	-65.6	-80.5	0	0	0	113.8	F305 L415 L528 L529 L530 D534 Y535 I536	F305-N532 VanDerWaalsContact CD1-ND2 3.27Å; F305-N532 WeakPolarHBondContact CD1-ND2 3.45Å; F305-N532 VanDerWaalsContact CD1-OD1 3.3Å; F305-N532 WeakPolarHBondContact CD1-OD1 3.49Å; L415-N532 HydrophobicContact CD1-CB 4.48Å; L415-N532 HydrophobicContact CD2-CB 4.07Å; L528-N532 PolarHBondContact O-N 2.92Å; L528-N532 PolarHBondContact O-ND2 2.85Å; L529-N532 CarbonylContact O-C 3.33Å; L529-N532 PolarHBondContact O-N 2.89Å; L530-N532 PolarHBondContact O-N 3.03Å; N532-D534 VanDerWaalsContact C-N 3.32Å; N532-D534 PolarHBondContact O-N 3.42Å; N532-Y535 PolarHBondContact O-N 3.35Å; N532-Y535 VanDerWaalsContact O-N 3.13Å; N532-I536 HydrophobicContact CB-CD1 4.4Å; N532-I536 WeakPolarHBondContact O-CG1 3.37Å; N532-I536 PolarHBondContact O-N 3.05Å
533	L	90.3	Very high	89.2	Confident	36 Å²	36	42.8 Å²	42.8	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-36	-170	-164.2	125.9	0	0	0	113.1	L529 L530 Y535 I536 T537 V545 V547	L529-L533 WeakPolarHBondContact O-CA 3.14Å; L529-L533 PolarHBondContact O-N 2.89Å; L530-L533 HydrophobicContact CD2-CD1 4.09Å; L530-L533 WeakPolarHBondContact O-CB 3.46Å; L530-L533 PolarHBondContact O-N 3.43Å; L533-Y535 VanDerWaalsContact C-N 3.34Å; L533-Y535 PolarHBondContact O-N 3.18Å; L533-I536 PolarHBondContact O-N 2.82Å; L533-T537 VanDerWaalsContact O-CB 3.28Å; L533-T537 WeakPolarHBondContact O-CB 3.44Å; L533-T537 PolarHBondContact O-N 2.93Å; L533-T537 PolarHBondContact O-OG1 3.25Å; L533-V545 WeakPolarHBondContact CD2-O 3.4Å; L533-V545 HydrophobicContact CG-CB 4.46Å; L533-V547 HydrophobicContact CD1-CG2 3.71Å
534	D	85.5	Confident	89	Confident	116 Å²	116	45.1 Å²	45.1	62%	0.62	24%	0.235	S	C	*	.	H	α-helix	trans	-62.4	-42.6	175.8	-73.5	-25.2	0	0	0	111.8	V353 N532 S538	V353-D534 HydrophobicContact CG1-CB 4.5Å; V353-D534 HydrophobicContact CG2-CB 4.13Å; N532-D534 VanDerWaalsContact C-N 3.32Å; N532-D534 PolarHBondContact O-N 3.42Å; D534-S538 VanDerWaalsContact O-CB 3.25Å; D534-S538 WeakPolarHBondContact O-CB 3.31Å; D534-S538 PolarHBondContact O-N 3.1Å
535	Y	87.8	Confident	88.9	Confident	11 Å²	11	40.8 Å²	40.8	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-43.8	177.8	172.6	-117	0	0	0	111.1	E350 W351 L419 N532 L533 T537 S538 T539	E350-Y535 VanDerWaalsContact CD-OH 3.29Å; E350-Y535 HydrophobicContact CG-CE2 3.97Å; E350-Y535 WeakPolarHBondContact O-CD2 3.44Å; E350-Y535 WeakPolarHBondContact O-CE2 3.46Å; E350-Y535 PolarHBondContact OE1-OH 3.14Å; W351-Y535 HydrophobicContact CB-CD1 4.47Å; W351-Y535 HydrophobicContact CB-CE1 4.44Å; W351-Y535 AromaticContact CD1-CE1 3.2Å; W351-Y535 AromaticContact CD1-CE2 3.94Å; W351-Y535 AromaticContact CD1-CZ 3.19Å; W351-Y535 VanDerWaalsContact CD1-OH 3.23Å; W351-Y535 HydrophobicContact CD2-CE1 4.33Å; W351-Y535 HydrophobicContact CG-CD1 4.17Å; W351-Y535 AromaticContact CG-CE1 3.77Å; W351-Y535 HydrophobicContact CG-CE1 3.77Å; W351-Y535 AromaticContact NE1-CE1 3.39Å; W351-Y535 AromaticContact NE1-CZ 3.61Å; W351-Y535 PolarHBondContact NE1-OH 3.36Å; L419-Y535 HydrophobicContact CD1-CD1 4.2Å; L419-Y535 HydrophobicContact CD1-CE1 3.46Å; L419-Y535 VanDerWaalsContact CD1-CE1 3.46Å; L419-Y535 HydrophobicContact CD2-CE1 4.44Å; N532-Y535 PolarHBondContact O-N 3.35Å; N532-Y535 VanDerWaalsContact O-N 3.13Å; L533-Y535 VanDerWaalsContact C-N 3.34Å; L533-Y535 PolarHBondContact O-N 3.18Å; Y535-T537 PolarHBondContact O-N 2.49Å; Y535-S538 PolarHBondContact O-N 3.42Å; Y535-T539 WeakPolarHBondContact CD2-OG1 3.25Å; Y535-T539 WeakPolarHBondContact CE2-OG1 3.33Å; Y535-T539 VanDerWaalsContact CZ-OG1 3.29Å; Y535-T539 WeakPolarHBondContact O-CB 3.23Å; Y535-T539 PolarHBondContact O-N 3.02Å; Y535-T539 PolarHBondContact O-OG1 3.13Å
536	I	91.2	Very high	89	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-48	176.1	-65.3	164.3	0	0	0	110.2	L415 L419 F422 L529 N532 L533 T539 L540	L415-I536 HydrophobicContact CD1-CD1 4.34Å; L419-I536 HydrophobicContact CD2-CB 4.46Å; L419-I536 HydrophobicContact CD2-CG1 3.91Å; F422-I536 HydrophobicContact CD2-CG2 4.3Å; F422-I536 HydrophobicContact CE2-CG2 4.46Å; L529-I536 HydrophobicContact CD2-CD1 3.9Å; N532-I536 HydrophobicContact CB-CD1 4.4Å; N532-I536 WeakPolarHBondContact O-CG1 3.37Å; N532-I536 PolarHBondContact O-N 3.05Å; L533-I536 PolarHBondContact O-N 2.82Å; I536-T539 PolarHBondContact O-N 3.03Å; I536-L540 HydrophobicContact CG2-CD1 3.87Å; I536-L540 WeakPolarHBondContact O-CB 3.38Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 3.11Å
537	T	90	Very high	88.9	Confident	19 Å²	19	46 Å²	46	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-45.6	-179.5	-57.2	0	0	0	0	111.4	L533 Y535 E541 L542 V545	L533-T537 VanDerWaalsContact O-CB 3.28Å; L533-T537 WeakPolarHBondContact O-CB 3.44Å; L533-T537 PolarHBondContact O-N 2.93Å; L533-T537 PolarHBondContact O-OG1 3.25Å; Y535-T537 PolarHBondContact O-N 2.49Å; T537-E541 PolarHBondContact O-N 2.88Å; T537-L542 HydrophobicContact CG2-CB 4.39Å; T537-L542 WeakPolarHBondContact CG2-O 3.19Å; T537-L542 PolarHBondContact O-N 3.18Å; T537-V545 HydrophobicContact CG2-CG2 4.28Å; T537-V545 WeakPolarHBondContact OG1-CB 3.38Å; T537-V545 WeakPolarHBondContact OG1-CG2 3.45Å
538	S	85.9	Confident	88.7	Confident	58 Å²	58	43.4 Å²	43.4	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-46.2	178.6	-170.7	0	0	0	0	111.7	D534 Y535 L540 E541	D534-S538 VanDerWaalsContact O-CB 3.25Å; D534-S538 WeakPolarHBondContact O-CB 3.31Å; D534-S538 PolarHBondContact O-N 3.1Å; Y535-S538 PolarHBondContact O-N 3.42Å; S538-L540 PolarHBondContact O-N 2.93Å; S538-E541 PolarHBondContact O-N 3.05Å; S538-E541 VanDerWaalsContact O-N 3.1Å
539	T	87.5	Confident	88.1	Confident	32 Å²	32	49.4 Å²	49.4	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-36.4	-178.1	-72.5	0	0	0	0	113.3	Y535 I536 E541	Y535-T539 WeakPolarHBondContact CD2-OG1 3.25Å; Y535-T539 WeakPolarHBondContact CE2-OG1 3.33Å; Y535-T539 VanDerWaalsContact CZ-OG1 3.29Å; Y535-T539 WeakPolarHBondContact O-CB 3.23Å; Y535-T539 PolarHBondContact O-N 3.02Å; Y535-T539 PolarHBondContact O-OG1 3.13Å; I536-T539 PolarHBondContact O-N 3.03Å; T539-E541 PolarHBondContact O-N 3.28Å
540	L	89.3	Confident	87.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.3	175.6	-63.6	175.6	0	0	0	112.5	F422 R423 Q426 I536 S538 L542 I562	F422-L540 HydrophobicContact CB-CD1 4.08Å; F422-L540 HydrophobicContact CB-CD2 4.1Å; F422-L540 HydrophobicContact CD2-CD1 4.15Å; R423-L540 HydrophobicContact CG-CD2 3.93Å; Q426-L540 PolarHBondContact NE2-O 3.41Å; I536-L540 HydrophobicContact CG2-CD1 3.87Å; I536-L540 WeakPolarHBondContact O-CB 3.38Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 3.11Å; S538-L540 PolarHBondContact O-N 2.93Å; L540-L542 HydrophobicContact CB-CD1 3.85Å; L540-L542 HydrophobicContact CB-CG 3.8Å; L540-L542 HydrophobicContact CD1-CD1 4.07Å; L540-L542 PolarHBondContact O-N 3.18Å; L540-L542 VanDerWaalsContact O-N 3.12Å; L540-I562 HydrophobicContact CD1-CD1 3.9Å
541	E	86.6	Confident	85.9	Confident	125 Å²	125	58.3 Å²	58.3	58%	0.584	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	18.1	-175.5	-56.4	-176.8	168.1	0	0	114.7	K442 T537 S538 T539 K616	K442-E541 IonicContact NZ-OE2 3.93Å; K442-E541 PolarHBondContact NZ-OE2 3.45Å; T537-E541 PolarHBondContact O-N 2.88Å; S538-E541 PolarHBondContact O-N 3.05Å; S538-E541 VanDerWaalsContact O-N 3.1Å; T539-E541 PolarHBondContact O-N 3.28Å; E541-K616 PolarHBondContact O-NZ 2.63Å; E541-K616 VanDerWaalsContact O-NZ 3.13Å
542	L	87	Confident	85	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.287	C	S	.	.			trans	-81.8	157.8	-176.4	-61.5	175	0	0	0	112.3	P443 A446 T537 L540 V545 F564 K616	P443-L542 HydrophobicContact CB-CD2 4.42Å; P443-L542 HydrophobicContact CG-CD2 4.42Å; P443-L542 VanDerWaalsContact O-CD2 3.27Å; P443-L542 WeakPolarHBondContact O-CD2 3.27Å; A446-L542 HydrophobicContact CB-CD1 3.48Å; A446-L542 VanDerWaalsContact CB-CD1 3.48Å; T537-L542 HydrophobicContact CG2-CB 4.39Å; T537-L542 WeakPolarHBondContact CG2-O 3.19Å; T537-L542 PolarHBondContact O-N 3.18Å; L540-L542 HydrophobicContact CB-CD1 3.85Å; L540-L542 HydrophobicContact CB-CG 3.8Å; L540-L542 HydrophobicContact CD1-CD1 4.07Å; L540-L542 PolarHBondContact O-N 3.18Å; L540-L542 VanDerWaalsContact O-N 3.12Å; L542-V545 HydrophobicContact CB-CG2 4.23Å; L542-V545 HydrophobicContact CD1-CG2 3.62Å; L542-F564 HydrophobicContact CD1-CD1 4.26Å; L542-F564 HydrophobicContact CD1-CE1 4Å; L542-F564 HydrophobicContact CD2-CD1 4.26Å; L542-F564 HydrophobicContact CD2-CE1 4.46Å; L542-K616 VanDerWaalsContact C-NZ 3.32Å; L542-K616 PolarHBondContact O-NZ 2.97Å
543	E	81.5	Confident	84	Confident	59 Å²	59	63.2 Å²	63.2	28%	0.276	31%	0.311	S	S	.	.	S	Bend	trans	-78	-42.9	173.1	-62.4	-167.5	165.6	0	0	111.4	T444 H445 R613	T444-E543 WeakPolarHBondContact O-CB 3.3Å; T444-E543 PolarHBondContact O-N 3.35Å; H445-E543 IonicContact CE1-OE2 3.36Å; E543-R613 IonicContact OE1-CZ 3.96Å; E543-R613 IonicContact OE1-NE 3.87Å; E543-R613 PolarHBondContact OE1-NE 3.39Å; E543-R613 IonicContact OE1-NH2 3.69Å; E543-R613 IonicContact OE2-CZ 3.22Å; E543-R613 IonicContact OE2-NE 2.72Å; E543-R613 IonicContact OE2-NH2 2.67Å; E543-R613 PolarHBondContact OE2-NH2 3.38Å
544	Q	86	Confident	83.2	Confident	78 Å²	78	66.2 Å²	66.2	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.3	-178.8	-162.5	-170.7	-6.9	0	0	110.6	H445 A446 E546	H445-Q544 VanDerWaalsContact CA-O 3.32Å; H445-Q544 WeakPolarHBondContact CA-O 3.49Å; A446-Q544 PolarHBondContact N-O 3.09Å; Q544-E546 PolarHBondContact NE2-OE1 3.21Å
545	V	88.7	Confident	82.8	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.3	169.1	-178.9	0	0	0	0	108.1	A446 V448 L533 T537 L542	A446-V545 HydrophobicContact CB-CG2 4.48Å; A446-V545 CarbonylContact O-C 3.23Å; A446-V545 VanDerWaalsContact O-CA 3.31Å; A446-V545 WeakPolarHBondContact O-CA 3.46Å; V448-V545 HydrophobicContact CG2-CG1 3.76Å; L533-V545 WeakPolarHBondContact CD2-O 3.4Å; L533-V545 HydrophobicContact CG-CB 4.46Å; T537-V545 HydrophobicContact CG2-CG2 4.28Å; T537-V545 WeakPolarHBondContact OG1-CB 3.38Å; T537-V545 WeakPolarHBondContact OG1-CG2 3.45Å; L542-V545 HydrophobicContact CB-CG2 4.23Å; L542-V545 HydrophobicContact CD1-CG2 3.62Å
546	E	91	Very high	82.5	Confident	93 Å²	93	62.2 Å²	62.2	44%	0.435	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.5	175.1	-67.1	-177.2	-178.9	0	0	109.9	A446 T447 V448 Q544	A446-E546 PolarHBondContact O-N 3.22Å; T447-E546 CarbonylContact C-O 3.56Å; T447-E546 WeakPolarHBondContact CA-O 3.45Å; V448-E546 PolarHBondContact N-O 3.1Å; Q544-E546 PolarHBondContact NE2-OE1 3.21Å
547	V	89.1	Confident	82	Confident	35 Å²	35	62.3 Å²	62.3	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.8	173.3	-178.9	0	0	0	0	108.4	V448 V450 L529 L530 L533	V448-V547 HydrophobicContact CB-CG2 4.48Å; V448-V547 CarbonylContact O-C 3.55Å; V448-V547 WeakPolarHBondContact O-CA 3.41Å; V450-V547 HydrophobicContact CG2-CG1 3.78Å; L529-V547 HydrophobicContact CB-CG2 4.15Å; L530-V547 HydrophobicContact CD2-CB 3.95Å; L530-V547 HydrophobicContact CD2-CG2 3.95Å; L530-V547 HydrophobicContact CG-CB 4.3Å; L530-V547 HydrophobicContact CG-CG2 4.26Å; L533-V547 HydrophobicContact CD1-CG2 3.71Å
548	N	86.7	Confident	81.7	Confident	44 Å²	44	62.8 Å²	62.8	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.1	-176.7	-163.2	-32	0	0	0	110.2	T447 V448 Y449 V450 K550	T447-N548 HydrophobicContact CG2-CB 3.8Å; V448-N548 PolarHBondContact O-N 2.93Å; Y449-N548 VanDerWaalsContact CA-O 3.28Å; Y449-N548 WeakPolarHBondContact CA-O 3.43Å; Y449-N548 HydrophobicContact CD1-CB 4.1Å; Y449-N548 HydrophobicContact CE1-CB 4.13Å; V450-N548 PolarHBondContact N-O 2.84Å; N548-K550 VanDerWaalsContact C-N 3.33Å; N548-K550 WeakPolarHBondContact OD1-CB 3.4Å; N548-K550 VanDerWaalsContact OD1-CG 3.23Å; N548-K550 WeakPolarHBondContact OD1-CG 3.37Å; N548-K550 PolarHBondContact OD1-N 2.66Å
549	E	80.2	Confident	81.7	Confident	130 Å²	130	64.3 Å²	64.3	61%	0.607	31%	0.31	S	S	*	.			trans	-93.4	9.7	-178.5	-65.2	-177.4	162.5	0	0	113.2	S526 I551	S526-E549 WeakPolarHBondContact CB-OE1 3.35Å; S526-E549 WeakPolarHBondContact OG-CG 3.3Å; S526-E549 PolarHBondContact OG-OE1 3.19Å; E549-I551 PolarHBondContact O-N 3.42Å
550	K	73.6	Confident	81.8	Confident	146 Å²	146	62.9 Å²	62.9	64%	0.635	30%	0.301	S	S	*	.			trans	-66.4	131.4	175.4	-77	176.2	-175.2	179.1	0	110.8	N548 R552	N548-K550 VanDerWaalsContact C-N 3.33Å; N548-K550 WeakPolarHBondContact OD1-CB 3.4Å; N548-K550 VanDerWaalsContact OD1-CG 3.23Å; N548-K550 WeakPolarHBondContact OD1-CG 3.37Å; N548-K550 PolarHBondContact OD1-N 2.66Å; K550-R552 PolarHBondContact O-N 3.27Å; K550-R552 VanDerWaalsContact O-N 3.17Å
551	I	65.6	Low	81.7	Confident	137 Å²	137	65.8 Å²	65.8	70%	0.703	31%	0.312	S	S	*	.			trans	-60.9	118.6	176.9	-58.3	173.1	0	0	0	109.7	E549	E549-I551 PolarHBondContact O-N 3.42Å
552	R	71.1	Confident	82	Confident	77 Å²	77	60 Å²	60	29%	0.291	29%	0.285	S	S	.	.			trans	-113.8	140.2	169	-144.6	171.4	-171.5	-120.9	-5.8	108.1	Y449 K550 E554 S555 V563	Y449-R552 HydrophobicContact CG-CB 4.47Å; K550-R552 PolarHBondContact O-N 3.27Å; K550-R552 VanDerWaalsContact O-N 3.17Å; R552-E554 IonicContact CZ-OE2 2.85Å; R552-E554 IonicContact NE-OE2 3.85Å; R552-E554 IonicContact NH1-OE2 2.71Å; R552-E554 PolarHBondContact NH1-OE2 3.05Å; R552-E554 IonicContact NH2-OE2 3.93Å; R552-E554 PolarHBondContact O-N 3.25Å; R552-S555 WeakPolarHBondContact CB-OG 3.03Å; R552-S555 PolarHBondContact N-OG 3.22Å; R552-S555 PolarHBondContact O-N 3.41Å; R552-S555 VanDerWaalsContact O-N 3.16Å; R552-S555 PolarHBondContact O-OG 2.99Å; R552-V563 VanDerWaalsContact CZ-CG2 3.46Å
553	E	69.7	Low	82.1	Confident	121 Å²	121	61.3 Å²	61.3	57%	0.565	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.9	179.8	-88.8	-155.5	158.1	0	0	113.3	K497	K497-E553 IonicContact NZ-OE1 2.76Å; K497-E553 IonicContact NZ-OE2 2.67Å; K497-E553 PolarHBondContact NZ-OE2 3.2Å
554	E	73.9	Confident	82.5	Confident	99 Å²	99	59.7 Å²	59.7	46%	0.463	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-14.3	-172.7	-57.3	146.9	167.6	0	0	113	R552 Y561	R552-E554 IonicContact CZ-OE2 2.85Å; R552-E554 IonicContact NE-OE2 3.85Å; R552-E554 IonicContact NH1-OE2 2.71Å; R552-E554 PolarHBondContact NH1-OE2 3.05Å; R552-E554 IonicContact NH2-OE2 3.93Å; R552-E554 PolarHBondContact O-N 3.25Å; E554-Y561 HydrophobicContact CB-CD2 3.32Å; E554-Y561 HydrophobicContact CB-CE2 3.57Å; E554-Y561 HydrophobicContact CB-CG 4.08Å; E554-Y561 HydrophobicContact CG-CD2 4.35Å; E554-Y561 HydrophobicContact CG-CE2 4.13Å
555	S	76.7	Confident	82.4	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.007	29%	0.285	C	S	.	.			trans	-95	147.8	175.6	49.9	0	0	0	0	110.6	C451 R552	C451-S555 PolarHBondContact SG-OG 2.97Å; R552-S555 WeakPolarHBondContact CB-OG 3.03Å; R552-S555 PolarHBondContact N-OG 3.22Å; R552-S555 PolarHBondContact O-N 3.41Å; R552-S555 VanDerWaalsContact O-N 3.16Å; R552-S555 PolarHBondContact O-OG 2.99Å
556	R	81.1	Confident	81.7	Confident	42 Å²	42	62.2 Å²	62.2	16%	0.158	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-155	158.6	178.7	57.1	-173.9	164.2	176.9	-0.5	109.7	Y454 F501 F504 G558 K559	Y454-R556 HydrophobicContact CD1-CB 3.97Å; Y454-R556 HydrophobicContact CE1-CB 3.76Å; Y454-R556 HydrophobicContact CE1-CG 4.26Å; F501-R556 VanDerWaalsContact CE2-NH1 3.28Å; F504-R556 VanDerWaalsContact CE1-NH2 3.25Å; R556-G558 PolarHBondContact O-N 3.38Å; R556-G558 VanDerWaalsContact O-N 3.12Å; R556-K559 HydrophobicContact CG-CB 3.94Å; R556-K559 PolarHBondContact N-O 2.99Å; R556-K559 CarbonylContact O-C 3.59Å; R556-K559 PolarHBondContact O-N 3Å
557	P	81.6	Confident	80.4	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.039	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	123	172.9	-24.7	32.2	0	0	0	110.1	C451 Y454 I521	C451-P557 WeakPolarHBondContact O-CG 3.46Å; Y454-P557 HydrophobicContact CD2-CB 4.43Å; Y454-P557 HydrophobicContact CD2-CG 3.78Å; Y454-P557 HydrophobicContact CE2-CB 3.85Å; Y454-P557 HydrophobicContact CE2-CG 3.7Å; Y454-P557 HydrophobicContact CG-CG 4.24Å; Y454-P557 PolarHBondContact OH-O 2.97Å; I521-P557 HydrophobicContact CD1-CB 3.85Å; I521-P557 HydrophobicContact CG1-CB 4.21Å
558	G	82.5	Confident	78.4	Confident	29 Å²	29	64.6 Å²	64.6	30%	0.299	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-11.3	175.8	0	0	0	0	0	113.3	E525 R556	E525-G558 WeakPolarHBondContact OE1-CA 3.13Å; E525-G558 PolarHBondContact OE1-N 2.82Å; R556-G558 PolarHBondContact O-N 3.38Å; R556-G558 VanDerWaalsContact O-N 3.12Å
559	K	85.6	Confident	76.1	Confident	91 Å²	91	66.6 Å²	66.6	40%	0.396	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-140.3	81.3	179.7	-72.3	-147.3	170.9	-160.4	0	110	F504 R556	F504-K559 HydrophobicContact CE2-CD 4.49Å; F504-K559 HydrophobicContact CZ-CD 4.14Å; R556-K559 HydrophobicContact CG-CB 3.94Å; R556-K559 PolarHBondContact N-O 2.99Å; R556-K559 CarbonylContact O-C 3.59Å; R556-K559 PolarHBondContact O-N 3Å
560	P	89.4	Confident	73.7	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.013	33%	0.329	C	S	.	.			trans	-61.4	150.6	170.7	29	-36.6	0	0	0	110.3	Y414 V418 F422 V448 Y449 V450 L529	Y414-P560 WeakPolarHBondContact OH-CD 3.22Å; Y414-P560 WeakPolarHBondContact OH-CG 3.43Å; V418-P560 HydrophobicContact CB-CG 4.35Å; V418-P560 HydrophobicContact CG1-CG 3.79Å; V418-P560 HydrophobicContact CG2-CG 3.54Å; F422-P560 HydrophobicContact CE1-CG 4.23Å; F422-P560 HydrophobicContact CZ-CB 4.37Å; F422-P560 HydrophobicContact CZ-CG 4.07Å; V448-P560 HydrophobicContact CG1-CB 3.9Å; Y449-P560 CarbonylContact O-C 3.57Å; Y449-P560 VanDerWaalsContact O-CA 3.3Å; Y449-P560 WeakPolarHBondContact O-CA 3.36Å; V450-P560 HydrophobicContact CG2-CB 4.28Å; L529-P560 HydrophobicContact CD1-CB 4.28Å; L529-P560 HydrophobicContact CD1-CG 4.35Å
561	Y	89.3	Confident	71.6	Confident	60 Å²	60	63.6 Å²	63.6	24%	0.235	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	-179.5	-171.6	-72.4	0	0	0	110.2	R425 Y449 E554 V563	R425-Y561 VanDerWaalsContact NH1-CZ 3.28Å; Y449-Y561 PolarHBondContact N-O 3.41Å; Y449-Y561 PolarHBondContact O-N 3.46Å; E554-Y561 HydrophobicContact CB-CD2 3.32Å; E554-Y561 HydrophobicContact CB-CE2 3.57Å; E554-Y561 HydrophobicContact CB-CG 4.08Å; E554-Y561 HydrophobicContact CG-CD2 4.35Å; E554-Y561 HydrophobicContact CG-CE2 4.13Å; Y561-V563 HydrophobicContact CD1-CG2 3.92Å; Y561-V563 HydrophobicContact CE1-CG2 3.67Å
562	I	91.6	Very high	69.9	Low	3 Å²	3	63.3 Å²	63.3	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.1	175.4	-168.3	164.5	0	0	0	112.1	F422 R425 A446 V448 L540 F564	F422-I562 HydrophobicContact CB-CD1 4.26Å; F422-I562 HydrophobicContact CB-CG2 4.28Å; F422-I562 HydrophobicContact CD1-CB 3.71Å; F422-I562 HydrophobicContact CD1-CD1 4.26Å; F422-I562 HydrophobicContact CD1-CG2 3.37Å; F422-I562 HydrophobicContact CD2-CD1 3.76Å; F422-I562 HydrophobicContact CE1-CB 3.68Å; F422-I562 HydrophobicContact CE1-CG2 3.82Å; F422-I562 HydrophobicContact CE2-CD1 4.1Å; F422-I562 HydrophobicContact CG-CB 4.19Å; F422-I562 HydrophobicContact CG-CD1 3.83Å; F422-I562 HydrophobicContact CG-CG2 3.9Å; F422-I562 HydrophobicContact CZ-CB 4.13Å; F422-I562 HydrophobicContact CZ-CD1 4.49Å; R425-I562 HydrophobicContact CB-CG2 4.23Å; A446-I562 HydrophobicContact CB-CD1 3.78Å; A446-I562 HydrophobicContact CB-CG1 3.82Å; V448-I562 HydrophobicContact CG2-CB 4.37Å; V448-I562 HydrophobicContact CG2-CD1 3.97Å; V448-I562 HydrophobicContact CG2-CG1 4.03Å; L540-I562 HydrophobicContact CD1-CD1 3.9Å; I562-F564 HydrophobicContact CD1-CE1 3.95Å; I562-F564 HydrophobicContact CD1-CE2 4.3Å; I562-F564 HydrophobicContact CD1-CZ 3.69Å; I562-F564 HydrophobicContact CG1-CE1 4.42Å; I562-F564 HydrophobicContact CG1-CE2 4.16Å; I562-F564 HydrophobicContact CG1-CZ 4.05Å; I562-F564 HydrophobicContact CG2-CE2 3.67Å; I562-F564 HydrophobicContact CG2-CZ 4.02Å
563	V	89.7	Confident	67.9	Low	29 Å²	29	67.2 Å²	67.2	18%	0.176	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.4	169.1	179.9	0	0	0	0	108.1	A446 T447 Y449 R552 Y561 E565	A446-V563 CarbonylContact C-O 3.58Å; A446-V563 WeakPolarHBondContact CA-O 3.08Å; A446-V563 WeakPolarHBondContact CB-O 3.45Å; T447-V563 PolarHBondContact N-O 3.4Å; T447-V563 PolarHBondContact O-N 3.42Å; Y449-V563 HydrophobicContact CD2-CG2 4.07Å; Y449-V563 HydrophobicContact CE2-CB 4.16Å; Y449-V563 HydrophobicContact CE2-CG2 3.62Å; R552-V563 VanDerWaalsContact CZ-CG2 3.46Å; Y561-V563 HydrophobicContact CD1-CG2 3.92Å; Y561-V563 HydrophobicContact CE1-CG2 3.67Å; V563-E565 HydrophobicContact CG1-CG 4.15Å
564	F	89	Confident	66	Low	25 Å²	25	71.1 Å²	71.1	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.5	173.8	-65.2	-84.9	0	0	0	109.8	R425 Q426 V429 P443 A446 L542 I562	R425-F564 HydrophobicContact CB-CE2 3.88Å; Q426-F564 HydrophobicContact CB-CE1 3.86Å; Q426-F564 HydrophobicContact CB-CE2 3.96Å; Q426-F564 HydrophobicContact CB-CZ 3.48Å; Q426-F564 VanDerWaalsContact CB-CZ 3.48Å; Q426-F564 HydrophobicContact CG-CD1 4.35Å; Q426-F564 HydrophobicContact CG-CE1 3.82Å; Q426-F564 HydrophobicContact CG-CZ 3.99Å; V429-F564 HydrophobicContact CG1-CB 4.33Å; V429-F564 HydrophobicContact CG2-CB 4.35Å; V429-F564 HydrophobicContact CG2-CD2 3.93Å; V429-F564 HydrophobicContact CG2-CG 4.5Å; P443-F564 HydrophobicContact CB-CB 3.76Å; P443-F564 HydrophobicContact CB-CD1 4.18Å; P443-F564 HydrophobicContact CB-CG 4.38Å; P443-F564 HydrophobicContact CG-CB 4.05Å; P443-F564 HydrophobicContact CG-CD1 3.94Å; P443-F564 HydrophobicContact CG-CG 4.24Å; A446-F564 HydrophobicContact CB-CD1 3.98Å; A446-F564 HydrophobicContact CB-CE1 4.26Å; L542-F564 HydrophobicContact CD1-CD1 4.26Å; L542-F564 HydrophobicContact CD1-CE1 4Å; L542-F564 HydrophobicContact CD2-CD1 4.26Å; L542-F564 HydrophobicContact CD2-CE1 4.46Å; I562-F564 HydrophobicContact CD1-CE1 3.95Å; I562-F564 HydrophobicContact CD1-CE2 4.3Å; I562-F564 HydrophobicContact CD1-CZ 3.69Å; I562-F564 HydrophobicContact CG1-CE1 4.42Å; I562-F564 HydrophobicContact CG1-CE2 4.16Å; I562-F564 HydrophobicContact CG1-CZ 4.05Å; I562-F564 HydrophobicContact CG2-CE2 3.67Å; I562-F564 HydrophobicContact CG2-CZ 4.02Å
565	E	84.5	Confident	63.8	Low	78 Å²	78	71.8 Å²	71.8	36%	0.364	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.5	179.5	-64.6	-179.4	-169.9	0	0	109.5	T444 H445 V563	T444-E565 PolarHBondContact N-O 2.78Å; H445-E565 PolarHBondContact N-O 2.95Å; H445-E565 PolarHBondContact O-N 2.93Å; H445-E565 VanDerWaalsContact O-O 3.07Å; V563-E565 HydrophobicContact CG1-CG 4.15Å
566	T	74.3	Confident	61.7	Low	58 Å²	58	80.2 Å²	80.2	36%	0.356	43%	0.433	S	S	.	.			trans	-96.4	103.3	163.1	-49.7	0	0	0	0	105.4	E441 V568	E441-T566 HydrophobicContact CB-CG2 4.34Å; T566-V568 HydrophobicContact CG2-CG2 4.04Å; T566-V568 PolarHBondContact O-N 3.29Å
567	K	62.9	Low	59.6	Low	101 Å²	101	87 Å²	87	44%	0.439	46%	0.461	S	S	.	.			trans	-65.8	92.1	171.1	-85.5	-172.1	-175.1	163.2	0	108.5
568	V	47.9	Very low	58	Low	78 Å²	78	89.8 Å²	89.8	47%	0.473	47%	0.474	S	S	.	.			trans	-98.7	104.8	154.9	-171.2	0	0	0	0	103.7	T566 S570	T566-V568 HydrophobicContact CG2-CG2 4.04Å; T566-V568 PolarHBondContact O-N 3.29Å; V568-S570 PolarHBondContact O-N 3.2Å; V568-S570 PolarHBondContact O-OG 2.92Å
569	L	37.2	Very low	56.6	Low	85 Å²	85	89.9 Å²	89.9	45%	0.445	47%	0.472	S	S	.	.			trans	-58.2	91.5	-179.8	-107.3	154.9	0	0	0	109	V571 A579	L569-V571 HydrophobicContact CD2-CG2 3.81Å; L569-V571 PolarHBondContact O-N 2.97Å; L569-A579 HydrophobicContact CB-CB 3.83Å
570	S	31.4	Very low	55.7	Low	104 Å²	104	91 Å²	91	73%	0.727	48%	0.475	S	S	*	.			trans	-96.2	73.3	178.3	-51.5	0	0	0	0	106.3	V568	V568-S570 PolarHBondContact O-N 3.2Å; V568-S570 PolarHBondContact O-OG 2.92Å
571	V	28.5	Very low	55	Low	109 Å²	109	92.5 Å²	92.5	66%	0.661	48%	0.484	S	S	*	.			trans	-79.3	125.8	168.6	-179.3	0	0	0	0	107.2	L569 I573	L569-V571 HydrophobicContact CD2-CG2 3.81Å; L569-V571 PolarHBondContact O-N 2.97Å; V571-I573 PolarHBondContact O-N 2.97Å
572	V	29.5	Very low	54.5	Low	132 Å²	132	93 Å²	93	80%	0.8	49%	0.491	S	S	*	.			trans	-44	122.7	175.9	174.4	0	0	0	0	110.3	F574	V572-F574 PolarHBondContact O-N 3.41Å
573	I	29.5	Very low	54.2	Low	159 Å²	159	93 Å²	93	82%	0.815	49%	0.49	S	S	*	.	S	Bend	trans	-64.3	93.2	-178.1	-64.2	167.7	0	0	0	109.8	V571	V571-I573 PolarHBondContact O-N 2.97Å
574	F	29	Very low	54.2	Low	203 Å²	203	92.7 Å²	92.7	89%	0.89	49%	0.489	S	S	*	.	S	Bend	trans	-147.2	123.3	136.6	-104.9	-87.5	0	0	0	105.2	V572	V572-F574 PolarHBondContact O-N 3.41Å
575	C	28.2	Very low	54.2	Low	112 Å²	112	91.5 Å²	91.5	76%	0.757	48%	0.483	S	S	*	.	S	Bend	trans	80.7	113.5	-165.2	-83.8	0	0	0	0	115.8	Y577	C575-Y577 PolarHBondContact O-N 2.98Å; C575-Y577 VanDerWaalsContact O-N 3.07Å
576	L	32.5	Very low	54.4	Low	178 Å²	178	90 Å²	90	93%	0.932	48%	0.477	S	S	*	.			trans	-50.4	107.3	166.5	-76	117.1	0	0	0	110.3
577	Y	38.4	Very low	55.1	Low	186 Å²	186	88.1 Å²	88.1	73%	0.729	47%	0.465	S	S	*	.			trans	-126.7	120.5	158	-94	-86.6	0	0	0	107.7	C575 A579	C575-Y577 PolarHBondContact O-N 2.98Å; C575-Y577 VanDerWaalsContact O-N 3.07Å; Y577-A579 PolarHBondContact O-N 3.5Å
578	I	47.7	Very low	56.1	Low	63 Å²	63	85.1 Å²	85.1	32%	0.323	45%	0.451	S	S	.	.			trans	-71.1	114.9	-179.1	-58.3	137.4	0	0	0	107.3	Y580 V581 N666	I578-Y580 VanDerWaalsContact C-N 3.29Å; I578-Y580 VanDerWaalsContact CG2-O 3.29Å; I578-Y580 WeakPolarHBondContact CG2-O 3.32Å; I578-Y580 PolarHBondContact O-N 3.32Å; I578-V581 HydrophobicContact CG2-CG2 3.79Å; I578-N666 HydrophobicContact CD1-CB 4.31Å; I578-N666 WeakPolarHBondContact CD1-OD1 3.2Å
579	A	53.2	Low	57.7	Low	31 Å²	31	83.2 Å²	83.2	26%	0.256	44%	0.438	S	S	.	.	S	Bend	trans	-69.8	-24.5	-169.2	0	0	0	0	0	114.1	L569 Y577	L569-A579 HydrophobicContact CB-CB 3.83Å; Y577-A579 PolarHBondContact O-N 3.5Å
580	Y	65.9	Low	59.5	Low	115 Å²	115	84.3 Å²	84.3	45%	0.451	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	151.5	172.5	64.3	-82.4	0	0	0	107.9	I578 P600 V601 F602	I578-Y580 VanDerWaalsContact C-N 3.29Å; I578-Y580 VanDerWaalsContact CG2-O 3.29Å; I578-Y580 WeakPolarHBondContact CG2-O 3.32Å; I578-Y580 PolarHBondContact O-N 3.32Å; Y580-P600 HydrophobicContact CD2-CB 3.84Å; Y580-P600 HydrophobicContact CE2-CB 4.38Å; Y580-V601 VanDerWaalsContact CA-O 3.25Å; Y580-V601 WeakPolarHBondContact CA-O 3.24Å; Y580-V601 WeakPolarHBondContact CB-O 3.3Å; Y580-F602 HydrophobicContact CD1-CE1 4.28Å; Y580-F602 HydrophobicContact CG-CD1 4.49Å; Y580-F602 HydrophobicContact CG-CE1 4.19Å
581	V	74	Confident	61.6	Low	33 Å²	33	84.9 Å²	84.9	20%	0.2	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.2	169.1	-177.6	0	0	0	0	107	I578 V583 V601 F663	I578-V581 HydrophobicContact CG2-CG2 3.79Å; V581-V583 PolarHBondContact O-N 2.67Å; V581-V583 VanDerWaalsContact O-N 3.15Å; V581-V601 PolarHBondContact N-O 2.98Å; V581-V601 VanDerWaalsContact N-O 3.08Å; V581-V601 PolarHBondContact O-N 2.6Å; V581-F663 HydrophobicContact CB-CD1 3.9Å; V581-F663 HydrophobicContact CB-CE1 3.51Å; V581-F663 HydrophobicContact CB-CZ 3.9Å; V581-F663 HydrophobicContact CG1-CE1 4.45Å; V581-F663 HydrophobicContact CG2-CB 4.46Å; V581-F663 HydrophobicContact CG2-CD1 3.39Å; V581-F663 HydrophobicContact CG2-CD2 4.32Å; V581-F663 HydrophobicContact CG2-CE1 3.58Å; V581-F663 HydrophobicContact CG2-CE2 4.46Å; V581-F663 HydrophobicContact CG2-CG 3.8Å; V581-F663 HydrophobicContact CG2-CZ 4.12Å
582	N	79.2	Confident	63.9	Low	72 Å²	72	82 Å²	82	39%	0.385	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	109.5	167.1	-81.4	-1.7	0	0	0	107.3	E598	N582-E598 HydrophobicContact CB-CB 4.39Å; N582-E598 HydrophobicContact CB-CG 4.46Å; N582-E598 PolarHBondContact ND2-OE2 3.05Å
583	V	85.9	Confident	66.2	Low	1 Å²	1	78.8 Å²	78.8	1%	0.006	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.4	176	179.2	0	0	0	0	107.5	V581 F585 V599 V601 F663 L684	V581-V583 PolarHBondContact O-N 2.67Å; V581-V583 VanDerWaalsContact O-N 3.15Å; V583-F585 HydrophobicContact CB-CD2 4.45Å; V583-F585 HydrophobicContact CB-CE2 3.78Å; V583-F585 HydrophobicContact CB-CZ 4.3Å; V583-F585 HydrophobicContact CG1-CD2 4.36Å; V583-F585 HydrophobicContact CG1-CE2 3.8Å; V583-F585 HydrophobicContact CG1-CZ 3.96Å; V583-F585 WeakPolarHBondContact O-CD2 3.49Å; V583-F585 PolarHBondContact O-N 2.93Å; V583-V599 PolarHBondContact N-O 3.46Å; V583-V599 PolarHBondContact O-N 3.36Å; V583-V601 HydrophobicContact CB-CG2 3.89Å; V583-V601 HydrophobicContact CG2-CB 3.98Å; V583-V601 HydrophobicContact CG2-CG2 3.82Å; V583-F663 HydrophobicContact CG2-CE1 4.43Å; V583-L684 HydrophobicContact CG1-CD1 3.35Å
584	T	88.6	Confident	68.8	Low	23 Å²	23	72.7 Å²	72.7	14%	0.141	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.5	177.9	-61	0	0	0	0	109	Q596 D682 E683 L684	T584-Q596 HydrophobicContact CG2-CG 3.51Å; T584-D682 PolarHBondContact N-O 3.05Å; T584-E683 HydrophobicContact CG2-CG 4.25Å; T584-E683 CarbonylContact O-C 3.6Å; T584-E683 WeakPolarHBondContact O-CA 3.17Å; T584-L684 PolarHBondContact O-N 2.66Å
585	F	90.6	Very high	71.3	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.8	173.9	-72.3	-86.3	0	0	0	109.7	V583 Q596 L597 V599 V601 V610 I614 L629 F661 L684 Y686	V583-F585 HydrophobicContact CB-CD2 4.45Å; V583-F585 HydrophobicContact CB-CE2 3.78Å; V583-F585 HydrophobicContact CB-CZ 4.3Å; V583-F585 HydrophobicContact CG1-CD2 4.36Å; V583-F585 HydrophobicContact CG1-CE2 3.8Å; V583-F585 HydrophobicContact CG1-CZ 3.96Å; V583-F585 WeakPolarHBondContact O-CD2 3.49Å; V583-F585 PolarHBondContact O-N 2.93Å; F585-Q596 CarbonylContact O-C 3.58Å; F585-Q596 WeakPolarHBondContact O-CA 3.35Å; F585-L597 PolarHBondContact N-O 2.77Å; F585-L597 PolarHBondContact O-N 3.47Å; F585-V599 HydrophobicContact CD2-CB 3.66Å; F585-V599 HydrophobicContact CD2-CG2 3.73Å; F585-V599 HydrophobicContact CE2-CB 3.82Å; F585-V599 HydrophobicContact CE2-CG2 4.34Å; F585-V601 HydrophobicContact CE2-CG2 3.8Å; F585-V601 HydrophobicContact CZ-CG2 4.07Å; F585-V610 HydrophobicContact CE1-CG1 4.17Å; F585-V610 HydrophobicContact CE2-CG1 3.88Å; F585-V610 HydrophobicContact CZ-CG1 3.48Å; F585-V610 VanDerWaalsContact CZ-CG1 3.48Å; F585-I614 HydrophobicContact CB-CD1 4.21Å; F585-I614 HydrophobicContact CD1-CD1 3.58Å; F585-I614 HydrophobicContact CD2-CD1 4.14Å; F585-I614 HydrophobicContact CE1-CD1 3.94Å; F585-I614 HydrophobicContact CE2-CD1 4.44Å; F585-I614 HydrophobicContact CG-CD1 3.69Å; F585-I614 HydrophobicContact CG-CG1 4.41Å; F585-I614 HydrophobicContact CZ-CD1 4.36Å; F585-L629 HydrophobicContact CD1-CD2 3.95Å; F585-L629 HydrophobicContact CE1-CD1 4.24Å; F585-L629 HydrophobicContact CE1-CD2 3.83Å; F585-F661 HydrophobicContact CZ-CZ 4.47Å; F585-L684 CarbonylContact C-O 3.48Å; F585-L684 VanDerWaalsContact CA-O 3.29Å; F585-L684 WeakPolarHBondContact CA-O 3.3Å; F585-L684 HydrophobicContact CD1-CB 3.89Å; F585-L684 HydrophobicContact CE1-CB 3.75Å; F585-L684 HydrophobicContact CE1-CD1 4.41Å; F585-L684 HydrophobicContact CZ-CD1 4.49Å; F585-Y686 HydrophobicContact CB-CD1 3.79Å; F585-Y686 HydrophobicContact CB-CE1 4.27Å
586	M	88.7	Confident	74.2	Confident	46 Å²	46	70.2 Å²	70.2	23%	0.227	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.7	-178.4	-143.4	-167.6	-51.9	0	0	111.2	Q596 E683 L684 I685 Y686	M586-Q596 HydrophobicContact CG-CB 4.18Å; M586-E683 HydrophobicContact CE-CG 3.94Å; M586-E683 WeakPolarHBondContact CE-OE1 3.43Å; M586-E683 WeakPolarHBondContact CE-OE2 3.49Å; M586-L684 PolarHBondContact N-O 3.33Å; M586-I685 HydrophobicContact CB-CD1 3.76Å; M586-I685 CarbonylContact O-C 3.53Å; M586-I685 VanDerWaalsContact O-CA 3.26Å; M586-I685 WeakPolarHBondContact O-CA 3.1Å; M586-Y686 VanDerWaalsContact C-CD1 3.49Å; M586-Y686 WeakPolarHBondContact O-CD1 3.27Å; M586-Y686 PolarHBondContact O-N 2.96Å
587	N	88.5	Confident	76.9	Confident	19 Å²	19	63.5 Å²	63.5	10%	0.102	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.3	168.8	-164.7	-72.3	0	0	0	109.2	D589 N592 L594 Y686	N587-D589 WeakPolarHBondContact OD1-CB 3.12Å; N587-D589 PolarHBondContact OD1-N 3.03Å; N587-N592 VanDerWaalsContact CG-ND2 3.32Å; N587-N592 PolarHBondContact ND2-ND2 3.32Å; N587-N592 PolarHBondContact OD1-ND2 2.99Å; N587-N592 PolarHBondContact OD1-OD1 3.1Å; N587-L594 HydrophobicContact CB-CB 4.14Å; N587-Y686 HydrophobicContact CB-CD1 4.35Å; N587-Y686 HydrophobicContact CB-CE1 3.78Å; N587-Y686 HydrophobicContact CB-CE2 4.08Å; N587-Y686 PolarHBondContact ND2-O 2.89Å
588	R	84	Confident	79.2	Confident	38 Å²	38	60.4 Å²	60.4	14%	0.143	34%	0.34	C	S	.	.			trans	-110.9	-1.5	180	-74.6	-172.9	170.9	-157.7	-5	113.9	P590 Y632 A648 I685	R588-P590 WeakPolarHBondContact O-CD 3.46Å; R588-Y632 PolarHBondContact NH2-OH 3.32Å; R588-A648 HydrophobicContact CB-CB 4.32Å; R588-I685 HydrophobicContact CB-CG2 4.44Å; R588-I685 HydrophobicContact CG-CD1 4Å; R588-I685 HydrophobicContact CG-CG2 4.24Å
589	D	81.5	Confident	81	Confident	38 Å²	38	57.4 Å²	57.4	20%	0.203	32%	0.324	C	S	.	.			trans	-69.3	126.1	179.3	-73.4	-35.4	0	0	0	109.7	N587 N592 Y649	N587-D589 WeakPolarHBondContact OD1-CB 3.12Å; N587-D589 PolarHBondContact OD1-N 3.03Å; D589-N592 WeakPolarHBondContact CB-ND2 3.33Å; D589-Y649 VanDerWaalsContact OD1-CE2 3.24Å; D589-Y649 WeakPolarHBondContact OD1-CE2 3.36Å; D589-Y649 PolarHBondContact OD1-OH 3.28Å; D589-Y649 PolarHBondContact OD2-OH 3.07Å
590	P	75	Confident	82.4	Confident	109 Å²	109	57.9 Å²	57.9	71%	0.708	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	143	177.1	25.2	-31.2	0	0	0	110.6	R588 N592	R588-P590 WeakPolarHBondContact O-CD 3.46Å; P590-N592 VanDerWaalsContact C-N 3.28Å; P590-N592 PolarHBondContact O-N 3.25Å
591	A	75.5	Confident	83.2	Confident	116 Å²	116	52.4 Å²	52.4	96%	0.959	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	26.3	172.6	0	0	0	0	0	116.1
592	N	76.4	Confident	83.6	Confident	48 Å²	48	53 Å²	53	26%	0.257	30%	0.303	S	S	.	.			trans	-99	155.4	161.5	81.1	17.3	0	0	0	110.6	N587 D589 P590 L594	N587-N592 VanDerWaalsContact CG-ND2 3.32Å; N587-N592 PolarHBondContact ND2-ND2 3.32Å; N587-N592 PolarHBondContact OD1-ND2 2.99Å; N587-N592 PolarHBondContact OD1-OD1 3.1Å; D589-N592 WeakPolarHBondContact CB-ND2 3.33Å; P590-N592 VanDerWaalsContact C-N 3.28Å; P590-N592 PolarHBondContact O-N 3.25Å; N592-L594 PolarHBondContact O-N 2.7Å; N592-L594 WeakPolarHBondContact OD1-CB 3.49Å; N592-L594 PolarHBondContact OD1-N 2.92Å; N592-L594 PolarHBondContact OD1-O 3.08Å; N592-L594 VanDerWaalsContact OD1-O 3.14Å
593	G	78.3	Confident	83.6	Confident	65 Å²	65	52.2 Å²	52.2	67%	0.67	30%	0.304	S	S	*	.	S	Bend	trans	-81.2	16.5	178	0	0	0	0	0	114	F595	G593-F595 WeakPolarHBondContact O-CD2 3.12Å; G593-F595 WeakPolarHBondContact O-CE2 3.18Å
594	L	83	Confident	83.5	Confident	31 Å²	31	54.4 Å²	54.4	16%	0.162	33%	0.327	C	S	.	.			trans	-101.6	129.8	-174.5	-59.1	172.6	0	0	0	108.7	N587 N592 N618 I620 Y686 V688	N587-L594 HydrophobicContact CB-CB 4.14Å; N592-L594 PolarHBondContact O-N 2.7Å; N592-L594 WeakPolarHBondContact OD1-CB 3.49Å; N592-L594 PolarHBondContact OD1-N 2.92Å; N592-L594 PolarHBondContact OD1-O 3.08Å; N592-L594 VanDerWaalsContact OD1-O 3.14Å; L594-N618 HydrophobicContact CD2-CB 3.9Å; L594-I620 HydrophobicContact CD1-CD1 4.16Å; L594-I620 HydrophobicContact CD2-CD1 4.12Å; L594-I620 HydrophobicContact CD2-CG1 4.17Å; L594-Y686 HydrophobicContact CB-CE2 4.34Å; L594-Y686 HydrophobicContact CD1-CE2 4.45Å; L594-V688 HydrophobicContact CD1-CB 4.28Å; L594-V688 HydrophobicContact CD1-CG2 3.48Å; L594-V688 VanDerWaalsContact CD1-CG2 3.48Å
595	F	83.2	Confident	83.3	Confident	147 Å²	147	54.4 Å²	54.4	65%	0.645	33%	0.326	S	S	*	.			trans	-121.4	-173.4	-171.4	-62.1	-74.1	0	0	0	111.8	G593 Y686	G593-F595 WeakPolarHBondContact O-CD2 3.12Å; G593-F595 WeakPolarHBondContact O-CE2 3.18Å; F595-Y686 PolarHBondContact N-OH 3.41Å; F595-Y686 WeakPolarHBondContact O-CE1 3.22Å; F595-Y686 PolarHBondContact O-OH 3.13Å
596	Q	88.9	Confident	83.2	Confident	115 Å²	115	56.9 Å²	56.9	54%	0.537	34%	0.341	S	S	.	.			trans	-60	139.5	168.3	-179.5	-179.4	-32.9	0	0	111.5	T584 F585 M586	T584-Q596 HydrophobicContact CG2-CG 3.51Å; F585-Q596 CarbonylContact O-C 3.58Å; F585-Q596 WeakPolarHBondContact O-CA 3.35Å; M586-Q596 HydrophobicContact CG-CB 4.18Å
597	L	87.7	Confident	83.1	Confident	38 Å²	38	54.8 Å²	54.8	20%	0.199	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.2	177.2	-53.9	160.9	0	0	0	109	F585 V599 I614 N618 Y686	F585-L597 PolarHBondContact N-O 2.77Å; F585-L597 PolarHBondContact O-N 3.47Å; L597-V599 HydrophobicContact CB-CG2 4.08Å; L597-I614 HydrophobicContact CD1-CG2 3.97Å; L597-N618 VanDerWaalsContact CD1-ND2 3.35Å; L597-N618 WeakPolarHBondContact CD1-ND2 3.34Å; L597-Y686 HydrophobicContact CD1-CE1 4.04Å
598	E	87	Confident	83	Confident	120 Å²	120	55.2 Å²	55.2	56%	0.561	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.9	158.3	-81.2	-164.7	-178	0	0	108.5	N582	N582-E598 HydrophobicContact CB-CB 4.39Å; N582-E598 HydrophobicContact CB-CG 4.46Å; N582-E598 PolarHBondContact ND2-OE2 3.05Å
599	V	85.3	Confident	83	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.1	176.3	-175.8	0	0	0	0	108.2	V583 F585 L597 V601 R613 I614 L617	V583-V599 PolarHBondContact N-O 3.46Å; V583-V599 PolarHBondContact O-N 3.36Å; F585-V599 HydrophobicContact CD2-CB 3.66Å; F585-V599 HydrophobicContact CD2-CG2 3.73Å; F585-V599 HydrophobicContact CE2-CB 3.82Å; F585-V599 HydrophobicContact CE2-CG2 4.34Å; L597-V599 HydrophobicContact CB-CG2 4.08Å; V599-V601 PolarHBondContact O-N 3.16Å; V599-R613 HydrophobicContact CG1-CB 4.48Å; V599-R613 HydrophobicContact CG1-CG 4.12Å; V599-I614 HydrophobicContact CG2-CG1 3.84Å; V599-L617 HydrophobicContact CG1-CD1 4.2Å; V599-L617 HydrophobicContact CG2-CD1 3.93Å
600	P	82.6	Confident	83.3	Confident	42 Å²	42	54.1 Å²	54.1	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.6	171.5	25.1	-30.5	0	0	0	108.5	Y580 F602 R613	Y580-P600 HydrophobicContact CD2-CB 3.84Å; Y580-P600 HydrophobicContact CE2-CB 4.38Å; P600-F602 HydrophobicContact CB-CE2 4.5Å; P600-F602 HydrophobicContact CB-CZ 4.41Å; P600-R613 PolarHBondContact O-NH1 2.9Å
601	V	83.7	Confident	83.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.6	175.1	179.6	0	0	0	0	107.9	Y580 V581 V583 F585 V599 D605 V610 F661 F663	Y580-V601 VanDerWaalsContact CA-O 3.25Å; Y580-V601 WeakPolarHBondContact CA-O 3.24Å; Y580-V601 WeakPolarHBondContact CB-O 3.3Å; V581-V601 PolarHBondContact N-O 2.98Å; V581-V601 VanDerWaalsContact N-O 3.08Å; V581-V601 PolarHBondContact O-N 2.6Å; V583-V601 HydrophobicContact CB-CG2 3.89Å; V583-V601 HydrophobicContact CG2-CB 3.98Å; V583-V601 HydrophobicContact CG2-CG2 3.82Å; F585-V601 HydrophobicContact CE2-CG2 3.8Å; F585-V601 HydrophobicContact CZ-CG2 4.07Å; V599-V601 PolarHBondContact O-N 3.16Å; V601-D605 HydrophobicContact CG1-CB 4.35Å; V601-V610 HydrophobicContact CG1-CG2 4.06Å; V601-V610 HydrophobicContact CG2-CG1 4.02Å; V601-V610 HydrophobicContact CG2-CG2 4.22Å; V601-F661 HydrophobicContact CG1-CB 3.58Å; V601-F661 HydrophobicContact CG1-CD1 3.92Å; V601-F661 HydrophobicContact CG1-CD2 3.77Å; V601-F661 HydrophobicContact CG1-CE2 4.38Å; V601-F661 HydrophobicContact CG1-CG 3.49Å; V601-F661 VanDerWaalsContact CG1-CG 3.49Å; V601-F663 HydrophobicContact CB-CZ 3.96Å; V601-F663 HydrophobicContact CG1-CE2 4.39Å; V601-F663 HydrophobicContact CG1-CZ 3.83Å; V601-F663 WeakPolarHBondContact O-CE2 3.33Å; V601-F663 VanDerWaalsContact O-CZ 3.29Å; V601-F663 WeakPolarHBondContact O-CZ 3.3Å
602	F	81.4	Confident	84.2	Confident	44 Å²	44	49.8 Å²	49.8	19%	0.193	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	148.6	-178.5	-57.4	-87.6	0	0	0	110.4	Y580 P600 G604 D605	Y580-F602 HydrophobicContact CD1-CE1 4.28Å; Y580-F602 HydrophobicContact CG-CD1 4.49Å; Y580-F602 HydrophobicContact CG-CE1 4.19Å; P600-F602 HydrophobicContact CB-CE2 4.5Å; P600-F602 HydrophobicContact CB-CZ 4.41Å; F602-G604 PolarHBondContact O-N 3.42Å; F602-D605 WeakPolarHBondContact CD2-OD2 3.1Å; F602-D605 PolarHBondContact N-OD2 3.26Å; F602-D605 WeakPolarHBondContact O-CB 3.06Å; F602-D605 PolarHBondContact O-N 3.22Å
603	S	80.8	Confident	84.6	Confident	57 Å²	57	48.3 Å²	48.3	40%	0.399	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	123.1	174.1	-161.4	0	0	0	0	108.9
604	G	83.2	Confident	85	Confident	47 Å²	47	45.2 Å²	45.2	49%	0.485	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	-9.3	-173.4	0	0	0	0	0	115.1	F602 T606 F661	F602-G604 PolarHBondContact O-N 3.42Å; G604-T606 PolarHBondContact O-N 3.24Å; G604-F661 PolarHBondContact N-O 3.49Å
605	D	83.6	Confident	85.1	Confident	23 Å²	23	44.3 Å²	44.3	12%	0.123	25%	0.248	C	C	.	.			trans	-62.8	134.5	174.9	-82.8	-15.3	0	0	0	110.5	V601 F602 V610 R613 V660 F661	V601-D605 HydrophobicContact CG1-CB 4.35Å; F602-D605 WeakPolarHBondContact CD2-OD2 3.1Å; F602-D605 PolarHBondContact N-OD2 3.26Å; F602-D605 WeakPolarHBondContact O-CB 3.06Å; F602-D605 PolarHBondContact O-N 3.22Å; D605-V610 HydrophobicContact CB-CG2 3.84Å; D605-R613 IonicContact OD1-NH2 3.84Å; D605-R613 IonicContact OD2-CZ 3.07Å; D605-R613 IonicContact OD2-NH1 3.87Å; D605-R613 PolarHBondContact OD2-NH1 3.31Å; D605-R613 IonicContact OD2-NH2 3.19Å; D605-R613 PolarHBondContact OD2-NH2 2.95Å; D605-V660 CarbonylContact O-C 3.54Å; D605-V660 WeakPolarHBondContact O-CA 3.43Å; D605-F661 PolarHBondContact O-N 2.86Å
606	T	88.4	Confident	84.8	Confident	52 Å²	52	42.2 Å²	42.2	32%	0.319	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-78.7	152.7	166.4	70.3	0	0	0	0	111	G604 G608 T609 V610 A659 V660	G604-T606 PolarHBondContact O-N 3.24Å; T606-G608 PolarHBondContact O-N 2.94Å; T606-T609 WeakPolarHBondContact CA-OG1 3.47Å; T606-T609 PolarHBondContact N-OG1 3.47Å; T606-T609 PolarHBondContact O-N 2.96Å; T606-T609 PolarHBondContact O-OG1 2.9Å; T606-T609 PolarHBondContact OG1-N 3.36Å; T606-T609 PolarHBondContact OG1-OG1 3.17Å; T606-V610 PolarHBondContact O-N 3.35Å; T606-A659 CarbonylContact C-O 3.55Å; T606-A659 VanDerWaalsContact CA-O 3.29Å; T606-A659 WeakPolarHBondContact CA-O 3.21Å; T606-V660 HydrophobicContact CG2-CG2 4.34Å
607	A	87.8	Confident	84.4	Confident	2 Å²	2	41.5 Å²	41.5	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-35.8	174.5	0	0	0	0	0	112.4	V610 A611 L629 V655 P656 P657 A659 F661	A607-V610 PolarHBondContact O-N 3.18Å; A607-A611 VanDerWaalsContact O-CB 3.29Å; A607-A611 WeakPolarHBondContact O-CB 3.39Å; A607-A611 PolarHBondContact O-N 3.39Å; A607-L629 HydrophobicContact CB-CD1 4.11Å; A607-L629 WeakPolarHBondContact O-CD1 3.45Å; A607-V655 HydrophobicContact CB-CG1 3.79Å; A607-P656 VanDerWaalsContact CB-O 3.28Å; A607-P656 WeakPolarHBondContact CB-O 3.43Å; A607-P657 PolarHBondContact N-O 3.08Å; A607-A659 HydrophobicContact CB-CB 4.47Å; A607-A659 PolarHBondContact N-O 3.36Å; A607-F661 HydrophobicContact CB-CE2 4.36Å
608	G	85.5	Confident	84	Confident	27 Å²	27	41.5 Å²	41.5	28%	0.278	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-43.3	174	0	0	0	0	0	113.1	T606 A611 Q612 P657	T606-G608 PolarHBondContact O-N 2.94Å; G608-A611 PolarHBondContact O-N 3.37Å; G608-Q612 PolarHBondContact O-N 3.36Å; G608-P657 PolarHBondContact N-O 2.97Å
609	T	84.6	Confident	83.5	Confident	53 Å²	53	46.5 Å²	46.5	33%	0.325	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-42.9	173.9	15.5	0	0	0	0	112	T606 Q612 R613	T606-T609 WeakPolarHBondContact CA-OG1 3.47Å; T606-T609 PolarHBondContact N-OG1 3.47Å; T606-T609 PolarHBondContact O-N 2.96Å; T606-T609 PolarHBondContact O-OG1 2.9Å; T606-T609 PolarHBondContact OG1-N 3.36Å; T606-T609 PolarHBondContact OG1-OG1 3.17Å; T609-Q612 PolarHBondContact O-N 3.06Å; T609-R613 PolarHBondContact O-N 2.81Å
610	V	88	Confident	82.9	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-40	177.7	-179.5	0	0	0	0	110.9	F585 V601 D605 T606 A607 Q612 R613 I614 L629 F661	F585-V610 HydrophobicContact CE1-CG1 4.17Å; F585-V610 HydrophobicContact CE2-CG1 3.88Å; F585-V610 HydrophobicContact CZ-CG1 3.48Å; F585-V610 VanDerWaalsContact CZ-CG1 3.48Å; V601-V610 HydrophobicContact CG1-CG2 4.06Å; V601-V610 HydrophobicContact CG2-CG1 4.02Å; V601-V610 HydrophobicContact CG2-CG2 4.22Å; D605-V610 HydrophobicContact CB-CG2 3.84Å; T606-V610 PolarHBondContact O-N 3.35Å; A607-V610 PolarHBondContact O-N 3.18Å; V610-Q612 PolarHBondContact O-N 3.13Å; V610-R613 WeakPolarHBondContact O-CB 3.39Å; V610-R613 PolarHBondContact O-N 3.19Å; V610-R613 VanDerWaalsContact O-N 3.12Å; V610-I614 HydrophobicContact CG1-CD1 4.19Å; V610-I614 WeakPolarHBondContact O-CG1 3.45Å; V610-I614 PolarHBondContact O-N 3.12Å; V610-L629 HydrophobicContact CB-CD1 4.26Å; V610-L629 HydrophobicContact CG1-CD1 4.32Å; V610-F661 HydrophobicContact CB-CE2 4.14Å; V610-F661 HydrophobicContact CG2-CD2 3.8Å; V610-F661 HydrophobicContact CG2-CE2 3.69Å
611	A	87.7	Confident	82	Confident	9 Å²	9	48.9 Å²	48.9	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-43	175.7	0	0	0	0	0	112	A607 G608 R613 I614 G615 L627 L629	A607-A611 VanDerWaalsContact O-CB 3.29Å; A607-A611 WeakPolarHBondContact O-CB 3.39Å; A607-A611 PolarHBondContact O-N 3.39Å; G608-A611 PolarHBondContact O-N 3.37Å; A611-R613 VanDerWaalsContact C-N 3.33Å; A611-R613 PolarHBondContact O-N 3.37Å; A611-I614 PolarHBondContact O-N 3Å; A611-G615 PolarHBondContact O-N 3.41Å; A611-L627 HydrophobicContact CB-CB 4.36Å; A611-L627 HydrophobicContact CB-CD2 3.82Å; A611-L629 HydrophobicContact CB-CD1 4.31Å; A611-L629 HydrophobicContact CB-CG 4.24Å
612	Q	81.8	Confident	81.1	Confident	125 Å²	125	55.8 Å²	55.8	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-61.6	-39.7	172.1	-83.3	-170.2	-9.3	0	0	112.5	G608 T609 V610 G615 K616	G608-Q612 PolarHBondContact O-N 3.36Å; T609-Q612 PolarHBondContact O-N 3.06Å; V610-Q612 PolarHBondContact O-N 3.13Å; Q612-G615 PolarHBondContact O-N 3.22Å; Q612-K616 PolarHBondContact O-N 2.66Å
613	R	84.6	Confident	79.9	Confident	17 Å²	17	60.5 Å²	60.5	6%	0.064	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-43.1	177.3	-163.9	-178.9	-73.6	137.2	7.9	111.2	E543 V599 P600 D605 T609 V610 A611 K616 L617	E543-R613 IonicContact OE1-CZ 3.96Å; E543-R613 IonicContact OE1-NE 3.87Å; E543-R613 PolarHBondContact OE1-NE 3.39Å; E543-R613 IonicContact OE1-NH2 3.69Å; E543-R613 IonicContact OE2-CZ 3.22Å; E543-R613 IonicContact OE2-NE 2.72Å; E543-R613 IonicContact OE2-NH2 2.67Å; E543-R613 PolarHBondContact OE2-NH2 3.38Å; V599-R613 HydrophobicContact CG1-CB 4.48Å; V599-R613 HydrophobicContact CG1-CG 4.12Å; P600-R613 PolarHBondContact O-NH1 2.9Å; D605-R613 IonicContact OD1-NH2 3.84Å; D605-R613 IonicContact OD2-CZ 3.07Å; D605-R613 IonicContact OD2-NH1 3.87Å; D605-R613 PolarHBondContact OD2-NH1 3.31Å; D605-R613 IonicContact OD2-NH2 3.19Å; D605-R613 PolarHBondContact OD2-NH2 2.95Å; T609-R613 PolarHBondContact O-N 2.81Å; V610-R613 WeakPolarHBondContact O-CB 3.39Å; V610-R613 PolarHBondContact O-N 3.19Å; V610-R613 VanDerWaalsContact O-N 3.12Å; A611-R613 VanDerWaalsContact C-N 3.33Å; A611-R613 PolarHBondContact O-N 3.37Å; R613-K616 PolarHBondContact O-N 3.02Å; R613-L617 HydrophobicContact CG-CD1 4.39Å; R613-L617 WeakPolarHBondContact O-CG 3.4Å; R613-L617 PolarHBondContact O-N 3.28Å
614	I	86.7	Confident	78.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-45.6	172.4	-66.7	160.2	0	0	0	110.7	F585 L597 V599 V610 A611 K616 L617 N618 L627 L629 Y686	F585-I614 HydrophobicContact CB-CD1 4.21Å; F585-I614 HydrophobicContact CD1-CD1 3.58Å; F585-I614 HydrophobicContact CD2-CD1 4.14Å; F585-I614 HydrophobicContact CE1-CD1 3.94Å; F585-I614 HydrophobicContact CE2-CD1 4.44Å; F585-I614 HydrophobicContact CG-CD1 3.69Å; F585-I614 HydrophobicContact CG-CG1 4.41Å; F585-I614 HydrophobicContact CZ-CD1 4.36Å; L597-I614 HydrophobicContact CD1-CG2 3.97Å; V599-I614 HydrophobicContact CG2-CG1 3.84Å; V610-I614 HydrophobicContact CG1-CD1 4.19Å; V610-I614 WeakPolarHBondContact O-CG1 3.45Å; V610-I614 PolarHBondContact O-N 3.12Å; A611-I614 PolarHBondContact O-N 3Å; I614-K616 VanDerWaalsContact C-N 3.33Å; I614-K616 PolarHBondContact O-N 2.76Å; I614-L617 PolarHBondContact O-N 2.9Å; I614-N618 PolarHBondContact O-N 2.8Å; I614-L627 HydrophobicContact CB-CD1 4.26Å; I614-L627 HydrophobicContact CB-CD2 4.25Å; I614-L627 HydrophobicContact CD1-CD2 4.37Å; I614-L627 HydrophobicContact CG2-CD1 3.88Å; I614-L627 HydrophobicContact CG2-CD2 4.17Å; I614-L629 HydrophobicContact CD1-CD2 3.67Å; I614-Y686 HydrophobicContact CG2-CD2 3.79Å; I614-Y686 HydrophobicContact CG2-CE2 3.91Å; I614-Y686 HydrophobicContact CG2-CG 4.12Å
615	G	83.7	Confident	77.4	Confident	12 Å²	12	64 Å²	64	12%	0.124	33%	0.327	C	S	.	.	H	α-helix	trans	-55.7	-45.9	177.4	0	0	0	0	0	112.6	A611 Q612 R619 I620	A611-G615 PolarHBondContact O-N 3.41Å; Q612-G615 PolarHBondContact O-N 3.22Å; G615-R619 PolarHBondContact O-N 3.07Å; G615-R619 VanDerWaalsContact O-N 3.1Å; G615-I620 PolarHBondContact O-N 2.83Å
616	K	77.1	Confident	76.9	Confident	104 Å²	104	69.1 Å²	69.1	45%	0.452	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-46.3	175.1	-82.5	-173.6	176.1	-177.1	0	112.7	E541 L542 Q612 R613 I614 N618 R619	E541-K616 PolarHBondContact O-NZ 2.63Å; E541-K616 VanDerWaalsContact O-NZ 3.13Å; L542-K616 VanDerWaalsContact C-NZ 3.32Å; L542-K616 PolarHBondContact O-NZ 2.97Å; Q612-K616 PolarHBondContact O-N 2.66Å; R613-K616 PolarHBondContact O-N 3.02Å; I614-K616 VanDerWaalsContact C-N 3.33Å; I614-K616 PolarHBondContact O-N 2.76Å; K616-N618 VanDerWaalsContact C-N 3.31Å; K616-N618 PolarHBondContact O-N 3.25Å; K616-R619 PolarHBondContact O-N 3.17Å; K616-R619 VanDerWaalsContact O-N 3.1Å
617	L	80.5	Confident	76.8	Confident	100 Å²	100	68.2 Å²	68.2	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-39.8	-179.1	-79.5	164.9	0	0	0	112.1	V599 R613 I614 R619	V599-L617 HydrophobicContact CG1-CD1 4.2Å; V599-L617 HydrophobicContact CG2-CD1 3.93Å; R613-L617 HydrophobicContact CG-CD1 4.39Å; R613-L617 WeakPolarHBondContact O-CG 3.4Å; R613-L617 PolarHBondContact O-N 3.28Å; I614-L617 PolarHBondContact O-N 2.9Å; L617-R619 VanDerWaalsContact C-N 3.33Å
618	N	80.8	Confident	76.9	Confident	37 Å²	37	71 Å²	71	20%	0.198	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4	176.5	-81.6	-30.7	0	0	0	114.4	L594 L597 I614 K616 I620 Y686	L594-N618 HydrophobicContact CD2-CB 3.9Å; L597-N618 VanDerWaalsContact CD1-ND2 3.35Å; L597-N618 WeakPolarHBondContact CD1-ND2 3.34Å; I614-N618 PolarHBondContact O-N 2.8Å; K616-N618 VanDerWaalsContact C-N 3.31Å; K616-N618 PolarHBondContact O-N 3.25Å; N618-I620 HydrophobicContact CB-CD1 3.58Å; N618-I620 HydrophobicContact CB-CG1 3.65Å; N618-I620 PolarHBondContact O-N 3.12Å; N618-Y686 WeakPolarHBondContact ND2-CE2 3.17Å; N618-Y686 PolarHBondContact ND2-OH 3.47Å; N618-Y686 VanDerWaalsContact ND2-OH 3.09Å
619	R	75.9	Confident	77.2	Confident	226 Å²	226	69.9 Å²	69.9	85%	0.853	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	39.7	-172.7	-53.4	179.8	179.7	-174	-0.8	112.8	G615 K616 L617 P621	G615-R619 PolarHBondContact O-N 3.07Å; G615-R619 VanDerWaalsContact O-N 3.1Å; K616-R619 PolarHBondContact O-N 3.17Å; K616-R619 VanDerWaalsContact O-N 3.1Å; L617-R619 VanDerWaalsContact C-N 3.33Å; R619-P621 WeakPolarHBondContact O-CD 3.33Å
620	I	73	Confident	77.5	Confident	32 Å²	32	68.6 Å²	68.6	16%	0.164	34%	0.337	C	S	.	.			trans	-74.2	121	177.5	-64.1	159.6	0	0	0	107.9	L594 G615 N618 K622 K624 L627 V688	L594-I620 HydrophobicContact CD1-CD1 4.16Å; L594-I620 HydrophobicContact CD2-CD1 4.12Å; L594-I620 HydrophobicContact CD2-CG1 4.17Å; G615-I620 PolarHBondContact O-N 2.83Å; N618-I620 HydrophobicContact CB-CD1 3.58Å; N618-I620 HydrophobicContact CB-CG1 3.65Å; N618-I620 PolarHBondContact O-N 3.12Å; I620-K622 PolarHBondContact O-N 2.89Å; I620-K624 HydrophobicContact CG2-CB 4.45Å; I620-L627 HydrophobicContact CD1-CD1 3.77Å; I620-V688 HydrophobicContact CD1-CG2 3.55Å; I620-V688 HydrophobicContact CG1-CG2 4.49Å; I620-V688 HydrophobicContact CG2-CG1 4.05Å
621	P	63.9	Low	77.6	Confident	59 Å²	59	70.6 Å²	70.6	38%	0.383	35%	0.345	S	S	.	.			trans	-60.6	134.7	175.5	-20.3	32.6	0	0	0	110.5	R619 D623 K624	R619-P621 WeakPolarHBondContact O-CD 3.33Å; P621-D623 WeakPolarHBondContact CB-OD1 3.48Å; P621-D623 PolarHBondContact O-N 3.28Å; P621-K624 HydrophobicContact CB-CG 4.47Å; P621-K624 HydrophobicContact CG-CD 4.39Å; P621-K624 HydrophobicContact CG-CG 4.49Å; P621-K624 PolarHBondContact O-N 2.96Å
622	K	63.7	Low	77.6	Confident	146 Å²	146	70.5 Å²	70.5	64%	0.635	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-57	-23.8	-178.4	-79.4	-175.2	174.6	179.9	0	113.2	I620 K624	I620-K622 PolarHBondContact O-N 2.89Å; K622-K624 VanDerWaalsContact C-N 3.33Å
623	D	56.1	Low	77.8	Confident	142 Å²	142	70.8 Å²	70.8	76%	0.759	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-77.2	-11.6	178	52	-55.8	0	0	0	114.3	P621 G625	P621-D623 WeakPolarHBondContact CB-OD1 3.48Å; P621-D623 PolarHBondContact O-N 3.28Å; D623-G625 VanDerWaalsContact C-N 3.32Å; D623-G625 PolarHBondContact O-N 3.46Å
624	K	55.8	Low	77.8	Confident	141 Å²	141	73.5 Å²	73.5	61%	0.613	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-90.8	22.8	180	-79	-162.3	173.8	-174.9	0	115.2	I620 P621 K622 V688	I620-K624 HydrophobicContact CG2-CB 4.45Å; P621-K624 HydrophobicContact CB-CG 4.47Å; P621-K624 HydrophobicContact CG-CD 4.39Å; P621-K624 HydrophobicContact CG-CG 4.49Å; P621-K624 PolarHBondContact O-N 2.96Å; K622-K624 VanDerWaalsContact C-N 3.33Å; K624-V688 WeakPolarHBondContact O-CG1 3.21Å
625	G	56.1	Low	77.4	Confident	36 Å²	36	74.6 Å²	74.6	37%	0.371	37%	0.366	S	S	.	.			trans	97	169	167.7	0	0	0	0	0	115.5	D623 C689	D623-G625 VanDerWaalsContact C-N 3.32Å; D623-G625 PolarHBondContact O-N 3.46Å; G625-C689 WeakPolarHBondContact CA-O 3.42Å
626	D	73.4	Confident	77	Confident	132 Å²	132	79.3 Å²	79.3	71%	0.706	39%	0.388	S	S	*	.			trans	-72.6	132.9	-173.8	-81.5	-27.4	0	0	0	111.1	C689	D626-C689 WeakPolarHBondContact O-CB 3.1Å; D626-C689 PolarHBondContact O-N 2.86Å; D626-C689 VanDerWaalsContact O-N 3.12Å
627	L	86.4	Confident	77.2	Confident	33 Å²	33	77.5 Å²	77.5	17%	0.173	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.4	176.3	-156.7	149.7	0	0	0	109	A611 I614 I620 L629 Y686 R687 V688	A611-L627 HydrophobicContact CB-CB 4.36Å; A611-L627 HydrophobicContact CB-CD2 3.82Å; I614-L627 HydrophobicContact CB-CD1 4.26Å; I614-L627 HydrophobicContact CB-CD2 4.25Å; I614-L627 HydrophobicContact CD1-CD2 4.37Å; I614-L627 HydrophobicContact CG2-CD1 3.88Å; I614-L627 HydrophobicContact CG2-CD2 4.17Å; I620-L627 HydrophobicContact CD1-CD1 3.77Å; L627-L629 HydrophobicContact CD2-CD2 4.16Å; L627-Y686 HydrophobicContact CD2-CD2 4.37Å; L627-R687 CarbonylContact C-O 3.47Å; L627-R687 WeakPolarHBondContact CA-O 3.43Å; L627-V688 HydrophobicContact CD1-CG2 4.25Å; L627-V688 HydrophobicContact CG-CG2 4.43Å
628	Q	89.6	Confident	77.1	Confident	59 Å²	59	73.1 Å²	73.1	28%	0.276	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.1	-177.5	-66	-176.9	-10.3	0	0	110.9	Y630 Y686 R687 C689	Q628-Y630 HydrophobicContact CB-CD2 4.46Å; Q628-Y630 HydrophobicContact CB-CE2 3.7Å; Q628-Y630 PolarHBondContact OE1-OH 3.12Å; Q628-Y686 WeakPolarHBondContact O-CA 3.21Å; Q628-R687 PolarHBondContact N-O 3.5Å; Q628-R687 PolarHBondContact O-N 3.29Å; Q628-C689 PolarHBondContact OE1-SG 3.41Å; Q628-C689 VanDerWaalsContact OE1-SG 3.39Å
629	L	91	Very high	76.9	Confident	5 Å²	5	76.2 Å²	76.2	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.1	175.7	-63	-177.7	0	0	0	110.5	F585 A607 V610 A611 I614 L627 V655 I685	F585-L629 HydrophobicContact CD1-CD2 3.95Å; F585-L629 HydrophobicContact CE1-CD1 4.24Å; F585-L629 HydrophobicContact CE1-CD2 3.83Å; A607-L629 HydrophobicContact CB-CD1 4.11Å; A607-L629 WeakPolarHBondContact O-CD1 3.45Å; V610-L629 HydrophobicContact CB-CD1 4.26Å; V610-L629 HydrophobicContact CG1-CD1 4.32Å; A611-L629 HydrophobicContact CB-CD1 4.31Å; A611-L629 HydrophobicContact CB-CG 4.24Å; I614-L629 HydrophobicContact CD1-CD2 3.67Å; L627-L629 HydrophobicContact CD2-CD2 4.16Å; L629-V655 HydrophobicContact CB-CB 4.12Å; L629-V655 PolarHBondContact O-N 2.92Å; L629-I685 CarbonylContact C-O 3.57Å
630	Y	91.4	Very high	77.1	Confident	26 Å²	26	74.4 Å²	74.4	10%	0.102	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.4	-179.7	-67.7	-99.7	0	0	0	109.5	Q628 Y649 L652 I653 M654 I685 R687	Q628-Y630 HydrophobicContact CB-CD2 4.46Å; Q628-Y630 HydrophobicContact CB-CE2 3.7Å; Q628-Y630 PolarHBondContact OE1-OH 3.12Å; Y630-Y649 HydrophobicContact CD2-CD1 4.44Å; Y630-Y649 HydrophobicContact CD2-CE1 4.39Å; Y630-Y649 HydrophobicContact CE1-CD1 4.5Å; Y630-Y649 HydrophobicContact CE2-CD1 4.45Å; Y630-Y649 HydrophobicContact CE2-CE1 4.38Å; Y630-L652 HydrophobicContact CD1-CB 4.19Å; Y630-I653 CarbonylContact C-O 3.44Å; Y630-I653 WeakPolarHBondContact CA-O 3.44Å; Y630-M654 HydrophobicContact CD1-CB 3.93Å; Y630-M654 HydrophobicContact CE1-CB 3.71Å; Y630-M654 HydrophobicContact CE1-CG 4.15Å; Y630-I685 PolarHBondContact N-O 3.32Å; Y630-I685 PolarHBondContact O-N 3.23Å; Y630-R687 HydrophobicContact CD2-CB 4.46Å; Y630-R687 HydrophobicContact CE2-CB 3.97Å
631	R	90.5	Very high	77.2	Confident	42 Å²	42	78.9 Å²	78.9	16%	0.158	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	158.4	170	67.9	171	-175.4	81.5	-2.8	110.2	L652 I653 V655 L684	R631-L652 CarbonylContact O-C 3.59Å; R631-L652 WeakPolarHBondContact O-CA 3.18Å; R631-I653 HydrophobicContact CG-CB 4.22Å; R631-I653 PolarHBondContact N-O 3.19Å; R631-I653 PolarHBondContact O-N 2.97Å; R631-V655 HydrophobicContact CB-CG2 4.09Å; R631-V655 HydrophobicContact CG-CG2 4.15Å; R631-L684 HydrophobicContact CB-CD2 3.94Å
632	Y	88.2	Confident	77.7	Confident	6 Å²	6	83.8 Å²	83.8	2%	0.024	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.3	170.8	-64.6	-79.1	0	0	0	111.2	R588 D634 G638 R639 L652 E683	R588-Y632 PolarHBondContact NH2-OH 3.32Å; Y632-D634 VanDerWaalsContact C-N 3.35Å; Y632-D634 VanDerWaalsContact CB-O 3.31Å; Y632-D634 WeakPolarHBondContact CB-O 3.22Å; Y632-G638 VanDerWaalsContact CD1-C 3.47Å; Y632-R639 HydrophobicContact CE2-CB 3.94Å; Y632-L652 HydrophobicContact CD1-CD2 3.36Å; Y632-L652 HydrophobicContact CE1-CD2 3.63Å; Y632-L652 HydrophobicContact CG-CD2 3.99Å; Y632-E683 HydrophobicContact CE2-CB 4.42Å; Y632-E683 HydrophobicContact CE2-CG 4.37Å; Y632-E683 WeakPolarHBondContact CE2-OE1 3.23Å; Y632-E683 PolarHBondContact OH-OE1 2.95Å
633	E	85.8	Confident	78.1	Confident	131 Å²	131	79.8 Å²	79.8	61%	0.612	40%	0.397	S	S	*	.	S	Bend	trans	-62.6	-44.8	173.3	-158.3	167.6	-148.1	0	0	110.5	G651 I653	E633-G651 WeakPolarHBondContact CB-O 3.46Å; E633-G651 PolarHBondContact N-O 2.75Å; E633-I653 HydrophobicContact CB-CD1 4.35Å; E633-I653 HydrophobicContact CB-CG1 4.42Å; E633-I653 HydrophobicContact CG-CD1 3.86Å; E633-I653 HydrophobicContact CG-CG1 4.22Å
634	D	84.5	Confident	78.9	Confident	75 Å²	75	75.6 Å²	75.6	40%	0.401	38%	0.379	S	S	.	.	S	Bend	trans	-104.9	107.6	164.5	-176	-32.7	0	0	0	109.8	Y632 I636 V637 G638	Y632-D634 VanDerWaalsContact C-N 3.35Å; Y632-D634 VanDerWaalsContact CB-O 3.31Å; Y632-D634 WeakPolarHBondContact CB-O 3.22Å; D634-I636 VanDerWaalsContact C-N 3.25Å; D634-I636 PolarHBondContact O-N 3.38Å; D634-I636 PolarHBondContact OD1-N 3.06Å; D634-V637 PolarHBondContact OD1-N 3.45Å; D634-V637 WeakPolarHBondContact OD2-CG2 3.28Å; D634-G638 VanDerWaalsContact O-CA 3.31Å; D634-G638 WeakPolarHBondContact O-CA 3.4Å; D634-G638 PolarHBondContact O-N 2.73Å
635	P	77.5	Confident	79.6	Confident	22 Å²	22	76 Å²	76	14%	0.143	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.1	-176.5	-20.2	32	0	0	0	114.8	F679	P635-F679 HydrophobicContact CB-CD1 3.51Å; P635-F679 HydrophobicContact CB-CE1 3.87Å; P635-F679 HydrophobicContact CB-CG 4.35Å; P635-F679 HydrophobicContact CG-CB 4.3Å; P635-F679 HydrophobicContact CG-CD1 3.84Å; P635-F679 HydrophobicContact CG-CG 4.41Å; P635-F679 WeakPolarHBondContact CG-O 3.45Å
636	I	76.8	Confident	80.6	Confident	112 Å²	112	83.5 Å²	83.5	57%	0.574	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-44.1	-174.9	-59.7	176	0	0	0	110.2	D634 F679	D634-I636 VanDerWaalsContact C-N 3.25Å; D634-I636 PolarHBondContact O-N 3.38Å; D634-I636 PolarHBondContact OD1-N 3.06Å; I636-F679 HydrophobicContact CG1-CE1 4.32Å
637	V	80.3	Confident	80.9	Confident	66 Å²	66	81.3 Å²	81.3	40%	0.4	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-27.8	-173.3	-164.5	0	0	0	0	112.1	D634 R639 R640	D634-V637 PolarHBondContact OD1-N 3.45Å; D634-V637 WeakPolarHBondContact OD2-CG2 3.28Å; V637-R639 VanDerWaalsContact C-N 3.33Å; V637-R639 PolarHBondContact O-N 2.8Å; V637-R640 WeakPolarHBondContact O-CB 3.26Å; V637-R640 PolarHBondContact O-N 3.04Å
638	G	78.8	Confident	80.6	Confident	8 Å²	8	80.5 Å²	80.5	8%	0.082	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-55.8	-41.4	-171.8	0	0	0	0	0	114.1	Y632 D634 R640 Q641	Y632-G638 VanDerWaalsContact CD1-C 3.47Å; D634-G638 VanDerWaalsContact O-CA 3.31Å; D634-G638 WeakPolarHBondContact O-CA 3.4Å; D634-G638 PolarHBondContact O-N 2.73Å; G638-R640 PolarHBondContact O-N 3.21Å; G638-Q641 PolarHBondContact O-N 3.21Å; G638-Q641 VanDerWaalsContact O-N 3.14Å
639	R	76.5	Confident	80.4	Confident	102 Å²	102	79.4 Å²	79.4	39%	0.385	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.7	177.4	77.5	-179.6	-160.6	-160.7	7.7	114.2	Y632 V637 D682	Y632-R639 HydrophobicContact CE2-CB 3.94Å; V637-R639 VanDerWaalsContact C-N 3.33Å; V637-R639 PolarHBondContact O-N 2.8Å; R639-D682 IonicContact CZ-OD1 3.97Å; R639-D682 IonicContact CZ-OD2 2.69Å; R639-D682 IonicContact NH1-OD1 3.97Å; R639-D682 PolarHBondContact NH1-OD1 3.05Å; R639-D682 IonicContact NH1-OD2 2.7Å; R639-D682 PolarHBondContact NH1-OD2 3.09Å
640	R	79.5	Confident	80	Confident	188 Å²	188	81.7 Å²	81.7	71%	0.709	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-87.7	-8	-179.2	-57.7	-177.1	-176.3	-177.8	0.3	112.4	V637 G638	V637-R640 WeakPolarHBondContact O-CB 3.26Å; V637-R640 PolarHBondContact O-N 3.04Å; G638-R640 PolarHBondContact O-N 3.21Å
641	Q	75.7	Confident	79.6	Confident	126 Å²	126	82.1 Å²	82.1	59%	0.589	43%	0.43	S	S	*	.	S	Bend	trans	-85.2	130.7	176.7	-68.8	-174.7	-6.8	0	0	110.6	G638	G638-Q641 PolarHBondContact O-N 3.21Å; G638-Q641 VanDerWaalsContact O-N 3.14Å
642	I	73.3	Confident	79.6	Confident	161 Å²	161	81.3 Å²	81.3	83%	0.826	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-66.4	125.1	175.4	-61.3	173.9	0	0	0	108.1	S644	I642-S644 PolarHBondContact O-N 3.27Å
643	P	72.4	Confident	79.6	Confident	62 Å²	62	83.9 Å²	83.9	40%	0.403	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-60.3	136.6	178.9	-15.4	25.3	0	0	0	111.2
644	S	73.7	Confident	79.8	Confident	55 Å²	55	82.8 Å²	82.8	39%	0.385	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-67.7	132.5	170.4	170.7	0	0	0	0	110	I642 E646 N647 A648	I642-S644 PolarHBondContact O-N 3.27Å; S644-E646 PolarHBondContact O-N 3.07Å; S644-E646 PolarHBondContact OG-N 2.89Å; S644-N647 CarbonylContact O-C 3.57Å; S644-N647 VanDerWaalsContact O-C 3.23Å; S644-N647 PolarHBondContact O-N 3.04Å; S644-N647 PolarHBondContact OG-N 3.37Å; S644-A648 WeakPolarHBondContact O-CA 3.48Å; S644-A648 PolarHBondContact O-N 2.78Å
645	V	71.1	Confident	80.1	Confident	150 Å²	150	79.6 Å²	79.6	91%	0.909	42%	0.422	S	S	*	.	S	Bend	trans	-65.1	-30.7	175.8	-173.7	0	0	0	0	111.3
646	E	75.8	Confident	80.6	Confident	192 Å²	192	81.3 Å²	81.3	90%	0.897	43%	0.433	S	S	*	.	S	Bend	trans	-80.8	-26.1	-179.2	-63.7	177.1	174.8	0	0	112.6	S644	S644-E646 PolarHBondContact O-N 3.07Å; S644-E646 PolarHBondContact OG-N 2.89Å
647	N	81.1	Confident	81.1	Confident	87 Å²	87	80.5 Å²	80.5	47%	0.465	44%	0.435	S	S	.	.			trans	-148.7	86.6	177.3	-172.2	-2.9	0	0	0	110.7	S644 Y649 A650	S644-N647 CarbonylContact O-C 3.57Å; S644-N647 VanDerWaalsContact O-C 3.23Å; S644-N647 PolarHBondContact O-N 3.04Å; S644-N647 PolarHBondContact OG-N 3.37Å; N647-Y649 PolarHBondContact O-N 3.06Å; N647-Y649 PolarHBondContact OD1-N 3.26Å; N647-A650 HydrophobicContact CB-CB 4.3Å; N647-A650 PolarHBondContact O-N 3.17Å; N647-A650 PolarHBondContact OD1-N 3.15Å
648	A	78.5	Confident	81.4	Confident	16 Å²	16	80.6 Å²	80.6	13%	0.132	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.9	-177.9	0	0	0	0	0	114	R588 S644	R588-A648 HydrophobicContact CB-CB 4.32Å; S644-A648 WeakPolarHBondContact O-CA 3.48Å; S644-A648 PolarHBondContact O-N 2.78Å
649	Y	85.7	Confident	81.9	Confident	35 Å²	35	80.3 Å²	80.3	14%	0.137	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	7.4	-176.4	-61.7	-90.3	0	0	0	114	D589 Y630 N647 G651 L652 I685 R687	D589-Y649 VanDerWaalsContact OD1-CE2 3.24Å; D589-Y649 WeakPolarHBondContact OD1-CE2 3.36Å; D589-Y649 PolarHBondContact OD1-OH 3.28Å; D589-Y649 PolarHBondContact OD2-OH 3.07Å; Y630-Y649 HydrophobicContact CD2-CD1 4.44Å; Y630-Y649 HydrophobicContact CD2-CE1 4.39Å; Y630-Y649 HydrophobicContact CE1-CD1 4.5Å; Y630-Y649 HydrophobicContact CE2-CD1 4.45Å; Y630-Y649 HydrophobicContact CE2-CE1 4.38Å; N647-Y649 PolarHBondContact O-N 3.06Å; N647-Y649 PolarHBondContact OD1-N 3.26Å; Y649-G651 PolarHBondContact O-N 3.05Å; Y649-L652 HydrophobicContact CD1-CD1 3.77Å; Y649-L652 HydrophobicContact CG-CD1 4.38Å; Y649-L652 WeakPolarHBondContact O-CB 3.36Å; Y649-L652 PolarHBondContact O-N 3.04Å; Y649-I685 HydrophobicContact CE1-CG2 4.07Å; Y649-R687 HydrophobicContact CE1-CB 4.05Å; Y649-R687 HydrophobicContact CE1-CG 4.34Å; Y649-R687 WeakPolarHBondContact OH-CD 3.49Å; Y649-R687 VanDerWaalsContact OH-CG 3.29Å; Y649-R687 WeakPolarHBondContact OH-CG 3.48Å
650	A	82.7	Confident	82.4	Confident	54 Å²	54	77.7 Å²	77.7	45%	0.446	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	136.3	172.3	0	0	0	0	0	111	N647 L652	N647-A650 HydrophobicContact CB-CB 4.3Å; N647-A650 PolarHBondContact O-N 3.17Å; N647-A650 PolarHBondContact OD1-N 3.15Å; A650-L652 VanDerWaalsContact C-N 3.31Å
651	G	84.1	Confident	82.9	Confident	35 Å²	35	68.7 Å²	68.7	36%	0.361	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	16.8	-177.6	0	0	0	0	0	114.7	E633 Y649	E633-G651 WeakPolarHBondContact CB-O 3.46Å; E633-G651 PolarHBondContact N-O 2.75Å; Y649-G651 PolarHBondContact O-N 3.05Å
652	L	89.2	Confident	83.4	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.131	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.7	174.4	-58.5	-178.8	0	0	0	111.3	Y630 R631 Y632 Y649 A650 I685	Y630-L652 HydrophobicContact CD1-CB 4.19Å; R631-L652 CarbonylContact O-C 3.59Å; R631-L652 WeakPolarHBondContact O-CA 3.18Å; Y632-L652 HydrophobicContact CD1-CD2 3.36Å; Y632-L652 HydrophobicContact CE1-CD2 3.63Å; Y632-L652 HydrophobicContact CG-CD2 3.99Å; Y649-L652 HydrophobicContact CD1-CD1 3.77Å; Y649-L652 HydrophobicContact CG-CD1 4.38Å; Y649-L652 WeakPolarHBondContact O-CB 3.36Å; Y649-L652 PolarHBondContact O-N 3.04Å; A650-L652 VanDerWaalsContact C-N 3.31Å; L652-I685 HydrophobicContact CD1-CB 4.05Å; L652-I685 HydrophobicContact CD1-CG1 3.84Å; L652-I685 HydrophobicContact CD1-CG2 4.02Å; L652-I685 HydrophobicContact CD2-CG1 4.03Å
653	I	89.6	Confident	83.8	Confident	60 Å²	60	57.1 Å²	57.1	31%	0.308	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.3	172.9	-63.6	174.1	0	0	0	108.4	Y630 R631 E633 V655	Y630-I653 CarbonylContact C-O 3.44Å; Y630-I653 WeakPolarHBondContact CA-O 3.44Å; R631-I653 HydrophobicContact CG-CB 4.22Å; R631-I653 PolarHBondContact N-O 3.19Å; R631-I653 PolarHBondContact O-N 2.97Å; E633-I653 HydrophobicContact CB-CD1 4.35Å; E633-I653 HydrophobicContact CB-CG1 4.42Å; E633-I653 HydrophobicContact CG-CD1 3.86Å; E633-I653 HydrophobicContact CG-CG1 4.22Å; I653-V655 PolarHBondContact O-N 2.73Å
654	M	89.8	Confident	84.1	Confident	107 Å²	107	58.6 Å²	58.6	53%	0.527	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.5	174.3	-174.3	171.5	51	0	0	110.6	Y630	Y630-M654 HydrophobicContact CD1-CB 3.93Å; Y630-M654 HydrophobicContact CE1-CB 3.71Å; Y630-M654 HydrophobicContact CE1-CG 4.15Å
655	V	89.9	Confident	84.1	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.055	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.1	177.6	-178.8	0	0	0	0	108.6	A607 L629 R631 I653 A659 L670 L684	A607-V655 HydrophobicContact CB-CG1 3.79Å; L629-V655 HydrophobicContact CB-CB 4.12Å; L629-V655 PolarHBondContact O-N 2.92Å; R631-V655 HydrophobicContact CB-CG2 4.09Å; R631-V655 HydrophobicContact CG-CG2 4.15Å; I653-V655 PolarHBondContact O-N 2.73Å; V655-A659 HydrophobicContact CG1-CB 3.83Å; V655-L670 HydrophobicContact CB-CD1 4.46Å; V655-L670 HydrophobicContact CG1-CD1 3.75Å; V655-L670 HydrophobicContact CG1-CD2 3.81Å; V655-L670 HydrophobicContact CG1-CG 4.41Å; V655-L670 HydrophobicContact CG2-CD1 3.77Å; V655-L684 HydrophobicContact CG2-CD2 4.15Å
656	P	88.8	Confident	84.1	Confident	57 Å²	57	61.8 Å²	61.8	37%	0.37	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-58.6	140	175.6	-23.1	32.9	0	0	0	111.4	A607 D658 A659	A607-P656 VanDerWaalsContact CB-O 3.28Å; A607-P656 WeakPolarHBondContact CB-O 3.43Å; P656-D658 WeakPolarHBondContact CB-OD1 3.33Å; P656-D658 PolarHBondContact O-N 2.85Å; P656-D658 VanDerWaalsContact O-N 3.11Å; P656-A659 HydrophobicContact CB-CB 4.42Å; P656-A659 VanDerWaalsContact O-CB 3.24Å; P656-A659 WeakPolarHBondContact O-CB 3.39Å; P656-A659 PolarHBondContact O-N 3.44Å
657	P	86.5	Confident	84.2	Confident	96 Å²	96	56.3 Å²	56.3	62%	0.623	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.9	-178.2	-22.2	31.2	0	0	0	114.2	A607 G608	A607-P657 PolarHBondContact N-O 3.08Å; G608-P657 PolarHBondContact N-O 2.97Å
658	D	87.3	Confident	84.3	Confident	67 Å²	67	52.4 Å²	52.4	36%	0.358	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.1	179.6	62.2	-27.5	0	0	0	113.7	P656 K673	P656-D658 WeakPolarHBondContact CB-OD1 3.33Å; P656-D658 PolarHBondContact O-N 2.85Å; P656-D658 VanDerWaalsContact O-N 3.11Å; D658-K673 WeakPolarHBondContact OD2-CB 3.35Å; D658-K673 VanDerWaalsContact OD2-CD 3.27Å; D658-K673 WeakPolarHBondContact OD2-CD 3.35Å; D658-K673 IonicContact OD2-NZ 2.63Å
659	A	88.3	Confident	84.8	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.1	135.8	175	0	0	0	0	0	110.7	T606 A607 V655 P656 L670 T671	T606-A659 CarbonylContact C-O 3.55Å; T606-A659 VanDerWaalsContact CA-O 3.29Å; T606-A659 WeakPolarHBondContact CA-O 3.21Å; A607-A659 HydrophobicContact CB-CB 4.47Å; A607-A659 PolarHBondContact N-O 3.36Å; V655-A659 HydrophobicContact CG1-CB 3.83Å; P656-A659 HydrophobicContact CB-CB 4.42Å; P656-A659 VanDerWaalsContact O-CB 3.24Å; P656-A659 WeakPolarHBondContact O-CB 3.39Å; P656-A659 PolarHBondContact O-N 3.44Å; A659-L670 HydrophobicContact CB-CD2 3.85Å; A659-T671 WeakPolarHBondContact CA-O 3.17Å
660	V	88.6	Confident	84.9	Confident	47 Å²	47	53.3 Å²	53.3	29%	0.285	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.5	-174.8	-178.5	0	0	0	0	110.3	D605 T606 L670 T671	D605-V660 CarbonylContact O-C 3.54Å; D605-V660 WeakPolarHBondContact O-CA 3.43Å; T606-V660 HydrophobicContact CG2-CG2 4.34Å; V660-L670 WeakPolarHBondContact O-CA 3.49Å; V660-T671 PolarHBondContact N-O 3.5Å; V660-T671 PolarHBondContact O-N 3.36Å
661	F	88.5	Confident	85	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.2	172.5	-74.4	-82.4	0	0	0	111.2	F585 V601 G604 D605 A607 V610 C668 W669 L670 L684	F585-F661 HydrophobicContact CZ-CZ 4.47Å; V601-F661 HydrophobicContact CG1-CB 3.58Å; V601-F661 HydrophobicContact CG1-CD1 3.92Å; V601-F661 HydrophobicContact CG1-CD2 3.77Å; V601-F661 HydrophobicContact CG1-CE2 4.38Å; V601-F661 HydrophobicContact CG1-CG 3.49Å; V601-F661 VanDerWaalsContact CG1-CG 3.49Å; G604-F661 PolarHBondContact N-O 3.49Å; D605-F661 PolarHBondContact O-N 2.86Å; A607-F661 HydrophobicContact CB-CE2 4.36Å; V610-F661 HydrophobicContact CB-CE2 4.14Å; V610-F661 HydrophobicContact CG2-CD2 3.8Å; V610-F661 HydrophobicContact CG2-CE2 3.69Å; F661-C668 VanDerWaalsContact CD1-SG 3.59Å; F661-W669 CarbonylContact C-O 3.57Å; F661-W669 WeakPolarHBondContact CA-O 3.39Å; F661-L670 HydrophobicContact CD1-CD2 3.83Å; F661-L670 HydrophobicContact CD1-CG 4.06Å; F661-L670 HydrophobicContact CD2-CD2 4.1Å; F661-L670 HydrophobicContact CE1-CD1 4.18Å; F661-L670 HydrophobicContact CE1-CD2 3.72Å; F661-L670 HydrophobicContact CE1-CG 3.88Å; F661-L670 HydrophobicContact CE2-CD2 3.99Å; F661-L670 HydrophobicContact CG-CD2 4.03Å; F661-L670 HydrophobicContact CZ-CD1 4.48Å; F661-L670 HydrophobicContact CZ-CD2 3.8Å; F661-L670 HydrophobicContact CZ-CG 4.37Å; F661-L684 HydrophobicContact CE1-CD1 4.22Å; F661-L684 HydrophobicContact CZ-CD2 4.49Å
662	T	86.1	Confident	84.9	Confident	33 Å²	33	52 Å²	52	20%	0.202	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.7	177.3	46.5	0	0	0	0	109.5	W669	T662-W669 PolarHBondContact N-O 2.83Å; T662-W669 PolarHBondContact O-N 3.11Å; T662-W669 PolarHBondContact OG1-O 2.84Å
663	F	81.8	Confident	84	Confident	10 Å²	10	59.4 Å²	59.4	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.7	-178.1	-56.9	-73.1	0	0	0	111	V581 V583 V601 D667 C668	V581-F663 HydrophobicContact CB-CD1 3.9Å; V581-F663 HydrophobicContact CB-CE1 3.51Å; V581-F663 HydrophobicContact CB-CZ 3.9Å; V581-F663 HydrophobicContact CG1-CE1 4.45Å; V581-F663 HydrophobicContact CG2-CB 4.46Å; V581-F663 HydrophobicContact CG2-CD1 3.39Å; V581-F663 HydrophobicContact CG2-CD2 4.32Å; V581-F663 HydrophobicContact CG2-CE1 3.58Å; V581-F663 HydrophobicContact CG2-CE2 4.46Å; V581-F663 HydrophobicContact CG2-CG 3.8Å; V581-F663 HydrophobicContact CG2-CZ 4.12Å; V583-F663 HydrophobicContact CG2-CE1 4.43Å; V601-F663 HydrophobicContact CB-CZ 3.96Å; V601-F663 HydrophobicContact CG1-CE2 4.39Å; V601-F663 HydrophobicContact CG1-CZ 3.83Å; V601-F663 WeakPolarHBondContact O-CE2 3.33Å; V601-F663 VanDerWaalsContact O-CZ 3.29Å; V601-F663 WeakPolarHBondContact O-CZ 3.3Å; F663-D667 WeakPolarHBondContact CA-O 3.25Å; F663-C668 HydrophobicContact CD1-CB 4.11Å; F663-C668 HydrophobicContact CE1-CB 3.85Å
664	E	78.9	Confident	83.4	Confident	93 Å²	93	62.2 Å²	62.2	44%	0.435	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.2	174.6	-77.5	174.4	-171.8	0	0	107.7	N666 D667 K677	E664-N666 VanDerWaalsContact C-N 3.32Å; E664-N666 PolarHBondContact O-N 3.38Å; E664-D667 PolarHBondContact N-O 2.75Å; E664-D667 VanDerWaalsContact N-O 3.16Å; E664-D667 WeakPolarHBondContact O-CA 3.07Å; E664-D667 WeakPolarHBondContact O-CB 3.12Å; E664-D667 PolarHBondContact O-N 2.89Å; E664-K677 IonicContact OE1-NZ 3.85Å; E664-K677 PolarHBondContact OE1-NZ 2.95Å; E664-K677 IonicContact OE2-NZ 2.65Å; E664-K677 PolarHBondContact OE2-NZ 3.1Å
665	D	73.4	Confident	82.5	Confident	156 Å²	156	61 Å²	61	83%	0.834	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.1	176.5	-62.7	-31.2	0	0	0	116.2	D667	D665-D667 PolarHBondContact O-N 3.32Å
666	N	71.1	Confident	81.9	Confident	117 Å²	117	64.4 Å²	64.4	63%	0.626	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	-2	-171.2	-64.7	-56.1	0	0	0	116	I578 E664	I578-N666 HydrophobicContact CD1-CB 4.31Å; I578-N666 WeakPolarHBondContact CD1-OD1 3.2Å; E664-N666 VanDerWaalsContact C-N 3.32Å; E664-N666 PolarHBondContact O-N 3.38Å
667	D	78	Confident	81.6	Confident	77 Å²	77	65.7 Å²	65.7	41%	0.412	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.8	178.6	-81.2	-24.7	0	0	0	111.3	F663 E664 D665 F679	F663-D667 WeakPolarHBondContact CA-O 3.25Å; E664-D667 PolarHBondContact N-O 2.75Å; E664-D667 VanDerWaalsContact N-O 3.16Å; E664-D667 WeakPolarHBondContact O-CA 3.07Å; E664-D667 WeakPolarHBondContact O-CB 3.12Å; E664-D667 PolarHBondContact O-N 2.89Å; D665-D667 PolarHBondContact O-N 3.32Å; D667-F679 HydrophobicContact CB-CD2 4.23Å; D667-F679 HydrophobicContact CB-CE2 3.51Å; D667-F679 HydrophobicContact CB-CZ 4.3Å
668	C	84.5	Confident	81.6	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.034	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.4	179.8	-175.9	0	0	0	0	110.9	F661 F663 F679 A680 G681	F661-C668 VanDerWaalsContact CD1-SG 3.59Å; F663-C668 HydrophobicContact CD1-CB 4.11Å; F663-C668 HydrophobicContact CE1-CB 3.85Å; C668-F679 VanDerWaalsContact O-CD2 3.24Å; C668-F679 WeakPolarHBondContact O-CD2 3.31Å; C668-A680 HydrophobicContact CB-CB 4.39Å; C668-A680 WeakPolarHBondContact O-CB 3.06Å; C668-A680 PolarHBondContact O-N 3.39Å; C668-G681 WeakPolarHBondContact CB-O 3.43Å
669	W	87.9	Confident	81.5	Confident	65 Å²	65	61.8 Å²	61.8	25%	0.246	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.3	-177.3	-62.2	85	0	0	0	111.2	F661 T662 K677 S678 F679	F661-W669 CarbonylContact C-O 3.57Å; F661-W669 WeakPolarHBondContact CA-O 3.39Å; T662-W669 PolarHBondContact N-O 2.83Å; T662-W669 PolarHBondContact O-N 3.11Å; T662-W669 PolarHBondContact OG1-O 2.84Å; W669-K677 HydrophobicContact CB-CG 4.27Å; W669-K677 HydrophobicContact CE3-CD 4.2Å; W669-K677 HydrophobicContact CE3-CG 3.95Å; W669-S678 WeakPolarHBondContact CA-O 3.39Å; W669-F679 HydrophobicContact CD2-CB 4.43Å; W669-F679 HydrophobicContact CD2-CD2 4.15Å; W669-F679 AromaticContact CE2-CD2 3.97Å; W669-F679 HydrophobicContact CE3-CB 3.91Å; W669-F679 HydrophobicContact CE3-CD2 4.47Å; W669-F679 HydrophobicContact CH2-CB 4.04Å; W669-F679 HydrophobicContact CH2-CD2 4.48Å; W669-F679 HydrophobicContact CZ2-CD2 4.14Å; W669-F679 HydrophobicContact CZ3-CB 3.71Å
670	L	87.3	Confident	81.3	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.6	173.6	-83.5	160.5	0	0	0	110	V655 A659 V660 F661 K677 S678 A680 L684	V655-L670 HydrophobicContact CB-CD1 4.46Å; V655-L670 HydrophobicContact CG1-CD1 3.75Å; V655-L670 HydrophobicContact CG1-CD2 3.81Å; V655-L670 HydrophobicContact CG1-CG 4.41Å; V655-L670 HydrophobicContact CG2-CD1 3.77Å; A659-L670 HydrophobicContact CB-CD2 3.85Å; V660-L670 WeakPolarHBondContact O-CA 3.49Å; F661-L670 HydrophobicContact CD1-CD2 3.83Å; F661-L670 HydrophobicContact CD1-CG 4.06Å; F661-L670 HydrophobicContact CD2-CD2 4.1Å; F661-L670 HydrophobicContact CE1-CD1 4.18Å; F661-L670 HydrophobicContact CE1-CD2 3.72Å; F661-L670 HydrophobicContact CE1-CG 3.88Å; F661-L670 HydrophobicContact CE2-CD2 3.99Å; F661-L670 HydrophobicContact CG-CD2 4.03Å; F661-L670 HydrophobicContact CZ-CD1 4.48Å; F661-L670 HydrophobicContact CZ-CD2 3.8Å; F661-L670 HydrophobicContact CZ-CG 4.37Å; L670-K677 WeakPolarHBondContact O-CA 3.46Å; L670-S678 PolarHBondContact N-O 3.49Å; L670-S678 PolarHBondContact O-N 2.97Å; L670-S678 PolarHBondContact O-OG 2.81Å; L670-A680 HydrophobicContact CD1-CB 3.75Å; L670-A680 HydrophobicContact CG-CB 4.04Å; L670-L684 HydrophobicContact CD1-CD2 4.15Å
671	T	86.8	Confident	80.9	Confident	39 Å²	39	59.5 Å²	59.5	24%	0.239	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.2	174.9	-49.3	0	0	0	0	109.4	A659 V660	A659-T671 WeakPolarHBondContact CA-O 3.17Å; V660-T671 PolarHBondContact N-O 3.5Å; V660-T671 PolarHBondContact O-N 3.36Å
672	A	80.1	Confident	80.5	Confident	23 Å²	23	63.8 Å²	63.8	19%	0.19	34%	0.342	C	S	.	.			trans	-81.6	165.6	177.1	0	0	0	0	0	111.7	N674 A675 T676	A672-N674 VanDerWaalsContact CB-OD1 3.26Å; A672-N674 WeakPolarHBondContact CB-OD1 3.18Å; A672-N674 PolarHBondContact O-N 3.11Å; A672-N674 VanDerWaalsContact O-N 3.07Å; A672-A675 WeakPolarHBondContact O-CA 3.49Å; A672-A675 PolarHBondContact O-N 3.42Å; A672-T676 PolarHBondContact N-O 2.94Å
673	K	72.1	Confident	80.6	Confident	181 Å²	181	63.7 Å²	63.7	79%	0.787	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.2	-176.4	-135.6	-171.9	-158.3	161.9	0	115	D658 A675	D658-K673 WeakPolarHBondContact OD2-CB 3.35Å; D658-K673 VanDerWaalsContact OD2-CD 3.27Å; D658-K673 WeakPolarHBondContact OD2-CD 3.35Å; D658-K673 IonicContact OD2-NZ 2.63Å; K673-A675 PolarHBondContact O-N 2.75Å
674	N	76.1	Confident	81	Confident	119 Å²	119	63.2 Å²	63.2	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	15.1	174.2	61.1	-10.7	0	0	0	113.2	A672 T676	A672-N674 VanDerWaalsContact CB-OD1 3.26Å; A672-N674 WeakPolarHBondContact CB-OD1 3.18Å; A672-N674 PolarHBondContact O-N 3.11Å; A672-N674 VanDerWaalsContact O-N 3.07Å; N674-T676 PolarHBondContact ND2-OG1 2.82Å; N674-T676 PolarHBondContact O-N 3.31Å; N674-T676 VanDerWaalsContact O-N 3.11Å; N674-T676 PolarHBondContact OD1-N 3.22Å; N674-T676 PolarHBondContact OD1-OG1 2.88Å
675	A	70.9	Confident	81.6	Confident	81 Å²	81	58.8 Å²	58.8	67%	0.669	32%	0.316	S	S	*	.			trans	60.5	11.5	-177.7	0	0	0	0	0	115.3	A672 K673 K677	A672-A675 WeakPolarHBondContact O-CA 3.49Å; A672-A675 PolarHBondContact O-N 3.42Å; K673-A675 PolarHBondContact O-N 2.75Å; A675-K677 PolarHBondContact O-N 3.26Å
676	T	77	Confident	82.5	Confident	81 Å²	81	51.4 Å²	51.4	50%	0.497	28%	0.277	S	S	.	.			trans	-71.1	117.1	170.7	-3.1	0	0	0	0	109.4	A672 N674	A672-T676 PolarHBondContact N-O 2.94Å; N674-T676 PolarHBondContact ND2-OG1 2.82Å; N674-T676 PolarHBondContact O-N 3.31Å; N674-T676 VanDerWaalsContact O-N 3.11Å; N674-T676 PolarHBondContact OD1-N 3.22Å; N674-T676 PolarHBondContact OD1-OG1 2.88Å
677	K	83.6	Confident	83.3	Confident	83 Å²	83	49.8 Å²	49.8	36%	0.361	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128	174.1	-163.8	-178.2	-171.8	-178.6	0	109.1	E664 W669 L670 A675	E664-K677 IonicContact OE1-NZ 3.85Å; E664-K677 PolarHBondContact OE1-NZ 2.95Å; E664-K677 IonicContact OE2-NZ 2.65Å; E664-K677 PolarHBondContact OE2-NZ 3.1Å; W669-K677 HydrophobicContact CB-CG 4.27Å; W669-K677 HydrophobicContact CE3-CD 4.2Å; W669-K677 HydrophobicContact CE3-CG 3.95Å; L670-K677 WeakPolarHBondContact O-CA 3.46Å; A675-K677 PolarHBondContact O-N 3.26Å
678	S	85.3	Confident	83.6	Confident	34 Å²	34	47.4 Å²	47.4	24%	0.238	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.1	179.8	52.6	0	0	0	0	110.2	W669 L670 A680	W669-S678 WeakPolarHBondContact CA-O 3.39Å; L670-S678 PolarHBondContact N-O 3.49Å; L670-S678 PolarHBondContact O-N 2.97Å; L670-S678 PolarHBondContact O-OG 2.81Å; S678-A680 PolarHBondContact O-N 2.76Å
679	F	86.2	Confident	83.3	Confident	47 Å²	47	51.4 Å²	51.4	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124	175.2	-176.1	-131.8	0	0	0	108.7	P635 I636 D667 C668 W669	P635-F679 HydrophobicContact CB-CD1 3.51Å; P635-F679 HydrophobicContact CB-CE1 3.87Å; P635-F679 HydrophobicContact CB-CG 4.35Å; P635-F679 HydrophobicContact CG-CB 4.3Å; P635-F679 HydrophobicContact CG-CD1 3.84Å; P635-F679 HydrophobicContact CG-CG 4.41Å; P635-F679 WeakPolarHBondContact CG-O 3.45Å; I636-F679 HydrophobicContact CG1-CE1 4.32Å; D667-F679 HydrophobicContact CB-CD2 4.23Å; D667-F679 HydrophobicContact CB-CE2 3.51Å; D667-F679 HydrophobicContact CB-CZ 4.3Å; C668-F679 VanDerWaalsContact O-CD2 3.24Å; C668-F679 WeakPolarHBondContact O-CD2 3.31Å; W669-F679 HydrophobicContact CD2-CB 4.43Å; W669-F679 HydrophobicContact CD2-CD2 4.15Å; W669-F679 AromaticContact CE2-CD2 3.97Å; W669-F679 HydrophobicContact CE3-CB 3.91Å; W669-F679 HydrophobicContact CE3-CD2 4.47Å; W669-F679 HydrophobicContact CH2-CB 4.04Å; W669-F679 HydrophobicContact CH2-CD2 4.48Å; W669-F679 HydrophobicContact CZ2-CD2 4.14Å; W669-F679 HydrophobicContact CZ3-CB 3.71Å
680	A	82.6	Confident	83	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.			trans	-86.4	-26.8	-176	0	0	0	0	0	112.1	C668 L670 S678 L684	C668-A680 HydrophobicContact CB-CB 4.39Å; C668-A680 WeakPolarHBondContact O-CB 3.06Å; C668-A680 PolarHBondContact O-N 3.39Å; L670-A680 HydrophobicContact CD1-CB 3.75Å; L670-A680 HydrophobicContact CG-CB 4.04Å; S678-A680 PolarHBondContact O-N 2.76Å; A680-L684 HydrophobicContact CB-CD1 4.33Å
681	G	81.9	Confident	82.8	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.021	29%	0.292	C	S	.	.			trans	81.4	-179.6	-167.6	0	0	0	0	0	112.3	C668	C668-G681 WeakPolarHBondContact CB-O 3.43Å
682	D	78.6	Confident	82.6	Confident	90 Å²	90	53.9 Å²	53.9	48%	0.481	30%	0.295	S	S	.	.	S	Bend	trans	-91.2	-7.6	-179.8	49.2	-7.1	0	0	0	113.6	T584 R639	T584-D682 PolarHBondContact N-O 3.05Å; R639-D682 IonicContact CZ-OD1 3.97Å; R639-D682 IonicContact CZ-OD2 2.69Å; R639-D682 IonicContact NH1-OD1 3.97Å; R639-D682 PolarHBondContact NH1-OD1 3.05Å; R639-D682 IonicContact NH1-OD2 2.7Å; R639-D682 PolarHBondContact NH1-OD2 3.09Å
683	E	88.2	Confident	82.7	Confident	31 Å²	31	55.8 Å²	55.8	15%	0.145	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.5	178.9	-172.8	-172.1	98.1	0	0	111.1	T584 M586 Y632	T584-E683 HydrophobicContact CG2-CG 4.25Å; T584-E683 CarbonylContact O-C 3.6Å; T584-E683 WeakPolarHBondContact O-CA 3.17Å; M586-E683 HydrophobicContact CE-CG 3.94Å; M586-E683 WeakPolarHBondContact CE-OE1 3.43Å; M586-E683 WeakPolarHBondContact CE-OE2 3.49Å; Y632-E683 HydrophobicContact CE2-CB 4.42Å; Y632-E683 HydrophobicContact CE2-CG 4.37Å; Y632-E683 WeakPolarHBondContact CE2-OE1 3.23Å; Y632-E683 PolarHBondContact OH-OE1 2.95Å
684	L	91.2	Very high	83.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.1	173.5	-74.8	108.1	0	0	0	111.1	V583 T584 F585 M586 R631 V655 F661 L670 A680	V583-L684 HydrophobicContact CG1-CD1 3.35Å; T584-L684 PolarHBondContact O-N 2.66Å; F585-L684 CarbonylContact C-O 3.48Å; F585-L684 VanDerWaalsContact CA-O 3.29Å; F585-L684 WeakPolarHBondContact CA-O 3.3Å; F585-L684 HydrophobicContact CD1-CB 3.89Å; F585-L684 HydrophobicContact CE1-CB 3.75Å; F585-L684 HydrophobicContact CE1-CD1 4.41Å; F585-L684 HydrophobicContact CZ-CD1 4.49Å; M586-L684 PolarHBondContact N-O 3.33Å; R631-L684 HydrophobicContact CB-CD2 3.94Å; V655-L684 HydrophobicContact CG2-CD2 4.15Å; F661-L684 HydrophobicContact CE1-CD1 4.22Å; F661-L684 HydrophobicContact CZ-CD2 4.49Å; L670-L684 HydrophobicContact CD1-CD2 4.15Å; A680-L684 HydrophobicContact CB-CD1 4.33Å
685	I	91.2	Very high	83.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.5	178.5	-55.8	-56.3	0	0	0	109.5	M586 R588 L629 Y630 Y649 L652	M586-I685 HydrophobicContact CB-CD1 3.76Å; M586-I685 CarbonylContact O-C 3.53Å; M586-I685 VanDerWaalsContact O-CA 3.26Å; M586-I685 WeakPolarHBondContact O-CA 3.1Å; R588-I685 HydrophobicContact CB-CG2 4.44Å; R588-I685 HydrophobicContact CG-CD1 4Å; R588-I685 HydrophobicContact CG-CG2 4.24Å; L629-I685 CarbonylContact C-O 3.57Å; Y630-I685 PolarHBondContact N-O 3.32Å; Y630-I685 PolarHBondContact O-N 3.23Å; Y649-I685 HydrophobicContact CE1-CG2 4.07Å; L652-I685 HydrophobicContact CD1-CB 4.05Å; L652-I685 HydrophobicContact CD1-CG1 3.84Å; L652-I685 HydrophobicContact CD1-CG2 4.02Å; L652-I685 HydrophobicContact CD2-CG1 4.03Å
686	Y	91.3	Very high	84.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.1	171.6	76.1	-82.2	0	0	0	111.3	F585 M586 N587 L594 F595 L597 I614 N618 L627 Q628	F585-Y686 HydrophobicContact CB-CD1 3.79Å; F585-Y686 HydrophobicContact CB-CE1 4.27Å; M586-Y686 VanDerWaalsContact C-CD1 3.49Å; M586-Y686 WeakPolarHBondContact O-CD1 3.27Å; M586-Y686 PolarHBondContact O-N 2.96Å; N587-Y686 HydrophobicContact CB-CD1 4.35Å; N587-Y686 HydrophobicContact CB-CE1 3.78Å; N587-Y686 HydrophobicContact CB-CE2 4.08Å; N587-Y686 PolarHBondContact ND2-O 2.89Å; L594-Y686 HydrophobicContact CB-CE2 4.34Å; L594-Y686 HydrophobicContact CD1-CE2 4.45Å; F595-Y686 PolarHBondContact N-OH 3.41Å; F595-Y686 WeakPolarHBondContact O-CE1 3.22Å; F595-Y686 PolarHBondContact O-OH 3.13Å; L597-Y686 HydrophobicContact CD1-CE1 4.04Å; I614-Y686 HydrophobicContact CG2-CD2 3.79Å; I614-Y686 HydrophobicContact CG2-CE2 3.91Å; I614-Y686 HydrophobicContact CG2-CG 4.12Å; N618-Y686 WeakPolarHBondContact ND2-CE2 3.17Å; N618-Y686 PolarHBondContact ND2-OH 3.47Å; N618-Y686 VanDerWaalsContact ND2-OH 3.09Å; L627-Y686 HydrophobicContact CD2-CD2 4.37Å; Q628-Y686 WeakPolarHBondContact O-CA 3.21Å
687	R	88.1	Confident	85.4	Confident	84 Å²	84	37.4 Å²	37.4	32%	0.317	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.6	-180	-177.7	177.4	-175.8	-175.8	-3.8	110.1	L627 Q628 Y630 Y649	L627-R687 CarbonylContact C-O 3.47Å; L627-R687 WeakPolarHBondContact CA-O 3.43Å; Q628-R687 PolarHBondContact N-O 3.5Å; Q628-R687 PolarHBondContact O-N 3.29Å; Y630-R687 HydrophobicContact CD2-CB 4.46Å; Y630-R687 HydrophobicContact CE2-CB 3.97Å; Y649-R687 HydrophobicContact CE1-CB 4.05Å; Y649-R687 HydrophobicContact CE1-CG 4.34Å; Y649-R687 WeakPolarHBondContact OH-CD 3.49Å; Y649-R687 VanDerWaalsContact OH-CG 3.29Å; Y649-R687 WeakPolarHBondContact OH-CG 3.48Å
688	V	84	Confident	85.6	Confident	27 Å²	27	33.6 Å²	33.6	16%	0.164	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.8	169.5	-175	0	0	0	0	106.6	L594 I620 K624 L627	L594-V688 HydrophobicContact CD1-CB 4.28Å; L594-V688 HydrophobicContact CD1-CG2 3.48Å; L594-V688 VanDerWaalsContact CD1-CG2 3.48Å; I620-V688 HydrophobicContact CD1-CG2 3.55Å; I620-V688 HydrophobicContact CG1-CG2 4.49Å; I620-V688 HydrophobicContact CG2-CG1 4.05Å; K624-V688 WeakPolarHBondContact O-CG1 3.21Å; L627-V688 HydrophobicContact CD1-CG2 4.25Å; L627-V688 HydrophobicContact CG-CG2 4.43Å
689	C	78.2	Confident	85.6	Confident	88 Å²	88	33.5 Å²	33.5	60%	0.595	18%	0.175	S	C	*	.			trans	-84.2	0	-170.6	-75.4	0	0	0	0	114.7	G625 D626 Q628	G625-C689 WeakPolarHBondContact CA-O 3.42Å; D626-C689 WeakPolarHBondContact O-CB 3.1Å; D626-C689 PolarHBondContact O-N 2.86Å; D626-C689 VanDerWaalsContact O-N 3.12Å; Q628-C689 PolarHBondContact OE1-SG 3.41Å; Q628-C689 VanDerWaalsContact OE1-SG 3.39Å

Retrieved 689 of 689 residues in 806.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).