A0A077ZA69_TRITR Loading...

RasGEF N and DEP and cNMP binding domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZA69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	36.9	Very low	225 Å²	225	136.2 Å²	136.2	100%	1.108	68%	0.678	S	S	*	*				0	-8	0	-97.9	-166.4	-80.2	0	0	115.1
2	K	38.3	Very low	37.5	Very low	192 Å²	192	130.8 Å²	130.8	84%	0.835	65%	0.653	S	S	*	*			trans	-98.9	-5.2	176.9	-86	-173.7	175	-177.9	0	115.9
3	E	34.2	Very low	38.3	Very low	164 Å²	164	127.4 Å²	127.4	77%	0.766	63%	0.632	S	S	*	*	S	Bend	trans	-94.1	-25	179.8	-78.3	172.4	154.5	0	0	113.8	T5	E3-T5 PolarHBondContact O-N 3.17Å
4	S	37.4	Very low	39	Very low	78 Å²	78	128.2 Å²	128.2	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-69.9	-29.9	-177.5	-50.5	0	0	0	0	113.4	E8	S4-E8 PolarHBondContact O-N 3.09Å
5	T	38.4	Very low	39.3	Very low	77 Å²	77	125.7 Å²	125.7	47%	0.472	62%	0.623	S	S	.	*	H	α-helix	trans	-79.1	-20.5	-177.3	49.4	0	0	0	0	114.4	E3 N9	E3-T5 PolarHBondContact O-N 3.17Å; T5-N9 PolarHBondContact O-ND2 3.17Å
6	M	33	Very low	40	Very low	155 Å²	155	119.4 Å²	119.4	76%	0.764	59%	0.592	S	S	*	*	H	α-helix	trans	-78	-39	174.3	-78.3	-157.8	-161.1	0	0	112	G10	M6-G10 PolarHBondContact O-N 3.39Å
7	Y	32.2	Very low	40.7	Very low	196 Å²	196	117.4 Å²	117.4	77%	0.769	58%	0.58	S	S	*	*	H	α-helix	trans	-68.7	-38.5	179.6	-89.4	-83.9	0	0	0	112.6	H11	Y7-H11 PolarHBondContact O-N 2.93Å
8	E	38.1	Very low	41.3	Very low	137 Å²	137	113.9 Å²	113.9	64%	0.64	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-38.2	177.2	-74.8	174.1	170.1	0	0	112.6	S4 L12	S4-E8 PolarHBondContact O-N 3.09Å; E8-L12 WeakPolarHBondContact O-CB 3.18Å; E8-L12 PolarHBondContact O-N 2.98Å; E8-L12 VanDerWaalsContact O-N 3.08Å
9	N	38.4	Very low	41.9	Very low	110 Å²	110	112.9 Å²	112.9	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-71.7	-34	179.8	-78.9	-35.8	0	0	0	113.2	T5 F13	T5-N9 PolarHBondContact O-ND2 3.17Å; N9-F13 WeakPolarHBondContact O-CB 3.14Å; N9-F13 PolarHBondContact O-N 2.78Å
10	G	37.9	Very low	43.1	Very low	38 Å²	38	108.2 Å²	108.2	39%	0.392	55%	0.546	S	S	.	.	H	α-helix	trans	-66.5	-44.3	176.1	0	0	0	0	0	112.2	M6 F13 E14	M6-G10 PolarHBondContact O-N 3.39Å; G10-F13 WeakPolarHBondContact O-CB 3.37Å; G10-F13 PolarHBondContact O-N 2.77Å; G10-E14 PolarHBondContact O-N 3.43Å
11	H	38.7	Very low	44.4	Very low	126 Å²	126	112.9 Å²	112.9	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-70.5	-34.8	179.7	-156.6	-65.5	0	0	0	112.2	Y7 L15	Y7-H11 PolarHBondContact O-N 2.93Å; H11-L15 WeakPolarHBondContact O-CB 3.34Å; H11-L15 PolarHBondContact O-N 2.94Å
12	L	43.5	Very low	46.5	Very low	71 Å²	71	105.8 Å²	105.8	37%	0.372	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-40.4	172.2	-176.5	64.8	0	0	0	111.3	E8 L15 I16 M134	E8-L12 WeakPolarHBondContact O-CB 3.18Å; E8-L12 PolarHBondContact O-N 2.98Å; E8-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.18Å; L12-I16 HydrophobicContact CD1-CD1 4.01Å; L12-I16 HydrophobicContact CD1-CG1 4.19Å; L12-I16 HydrophobicContact CD2-CD1 4.39Å; L12-I16 HydrophobicContact CG-CD1 3.75Å; L12-I16 HydrophobicContact CG-CG1 4.33Å; L12-I16 WeakPolarHBondContact O-CB 3.5Å; L12-I16 WeakPolarHBondContact O-CG1 3.26Å; L12-I16 PolarHBondContact O-N 2.81Å; L12-M134 HydrophobicContact CD1-CE 4.23Å
13	F	48.8	Very low	48.7	Very low	87 Å²	87	98.5 Å²	98.5	38%	0.382	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-47.2	177	-172.9	-97.2	0	0	0	112	N9 G10 H17	N9-F13 WeakPolarHBondContact O-CB 3.14Å; N9-F13 PolarHBondContact O-N 2.78Å; G10-F13 WeakPolarHBondContact O-CB 3.37Å; G10-F13 PolarHBondContact O-N 2.77Å; F13-H17 AromaticContact CD1-CD2 3.81Å; F13-H17 AromaticContact CE1-CD2 3.51Å; F13-H17 AromaticContact CE1-NE2 3.65Å; F13-H17 AromaticContact CE2-CD2 3.92Å; F13-H17 AromaticContact CE2-NE2 3.49Å; F13-H17 WeakPolarHBondContact CE2-NE2 3.33Å; F13-H17 AromaticContact CZ-CD2 3.57Å; F13-H17 AromaticContact CZ-NE2 3.19Å; F13-H17 WeakPolarHBondContact CZ-NE2 3.34Å; F13-H17 PolarHBondContact O-CD2 3.4Å; F13-H17 VanDerWaalsContact O-CD2 3.24Å; F13-H17 PolarHBondContact O-N 3.05Å
14	E	47.9	Very low	51.2	Low	139 Å²	139	96.3 Å²	96.3	65%	0.65	49%	0.492	S	S	*	.	H	α-helix	trans	-65.4	-40	174.9	-74	-175.3	171.6	0	0	112.4	G10 H17 S18	G10-E14 PolarHBondContact O-N 3.43Å; E14-H17 PolarHBondContact O-N 2.72Å; E14-S18 VanDerWaalsContact O-CB 3.32Å; E14-S18 WeakPolarHBondContact O-CB 3.36Å; E14-S18 PolarHBondContact O-N 3.16Å; E14-S18 PolarHBondContact O-OG 3.24Å
15	L	42.8	Very low	53.4	Low	91 Å²	91	93.9 Å²	93.9	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-45.1	178.3	-166.3	78.3	0	0	0	111.1	H11 L12 H17 S18 T19	H11-L15 WeakPolarHBondContact O-CB 3.34Å; H11-L15 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.18Å; L15-H17 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-N 2.96Å; L15-S18 PolarHBondContact O-OG 3.32Å; L15-T19 WeakPolarHBondContact O-CB 3.48Å; L15-T19 PolarHBondContact O-N 3.27Å; L15-T19 PolarHBondContact O-OG1 3.41Å
16	I	50.5	Low	55.8	Low	24 Å²	24	93.2 Å²	93.2	12%	0.123	47%	0.466	C	S	.	.	H	α-helix	trans	-58.2	-50.7	175.4	-71.8	168.6	0	0	0	109.4	L12 S18 T19 L20 W29	L12-I16 HydrophobicContact CD1-CD1 4.01Å; L12-I16 HydrophobicContact CD1-CG1 4.19Å; L12-I16 HydrophobicContact CD2-CD1 4.39Å; L12-I16 HydrophobicContact CG-CD1 3.75Å; L12-I16 HydrophobicContact CG-CG1 4.33Å; L12-I16 WeakPolarHBondContact O-CB 3.5Å; L12-I16 WeakPolarHBondContact O-CG1 3.26Å; L12-I16 PolarHBondContact O-N 2.81Å; I16-S18 PolarHBondContact O-N 3.08Å; I16-T19 PolarHBondContact O-N 3.07Å; I16-T19 VanDerWaalsContact O-N 3.16Å; I16-L20 HydrophobicContact CG2-CD1 3.53Å; I16-L20 HydrophobicContact CG2-CG 4.16Å; I16-L20 WeakPolarHBondContact O-CB 3.44Å; I16-L20 WeakPolarHBondContact O-CG 3.16Å; I16-L20 PolarHBondContact O-N 3.29Å; I16-W29 HydrophobicContact CG2-CZ2 4.4Å
17	H	52.3	Low	58.4	Low	86 Å²	86	85.8 Å²	85.8	40%	0.398	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-37.4	179	-81.2	-63	0	0	0	113.6	F13 E14 L15 T19	F13-H17 AromaticContact CD1-CD2 3.81Å; F13-H17 AromaticContact CE1-CD2 3.51Å; F13-H17 AromaticContact CE1-NE2 3.65Å; F13-H17 AromaticContact CE2-CD2 3.92Å; F13-H17 AromaticContact CE2-NE2 3.49Å; F13-H17 WeakPolarHBondContact CE2-NE2 3.33Å; F13-H17 AromaticContact CZ-CD2 3.57Å; F13-H17 AromaticContact CZ-NE2 3.19Å; F13-H17 WeakPolarHBondContact CZ-NE2 3.34Å; F13-H17 PolarHBondContact O-CD2 3.4Å; F13-H17 VanDerWaalsContact O-CD2 3.24Å; F13-H17 PolarHBondContact O-N 3.05Å; E14-H17 PolarHBondContact O-N 2.72Å; L15-H17 PolarHBondContact O-N 3.43Å; H17-T19 VanDerWaalsContact C-N 3.27Å; H17-T19 PolarHBondContact O-N 3.02Å
18	S	51.6	Low	61.1	Low	55 Å²	55	77.9 Å²	77.9	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-68.1	-25.7	176.9	78.4	0	0	0	0	113.6	E14 L15 I16 R21	E14-S18 VanDerWaalsContact O-CB 3.32Å; E14-S18 WeakPolarHBondContact O-CB 3.36Å; E14-S18 PolarHBondContact O-N 3.16Å; E14-S18 PolarHBondContact O-OG 3.24Å; L15-S18 PolarHBondContact O-N 2.96Å; L15-S18 PolarHBondContact O-OG 3.32Å; I16-S18 PolarHBondContact O-N 3.08Å; S18-R21 VanDerWaalsContact O-CG 3.25Å; S18-R21 WeakPolarHBondContact O-CG 3.32Å; S18-R21 PolarHBondContact O-NE 2.85Å
19	T	52.5	Low	63.6	Low	95 Å²	95	72 Å²	72	58%	0.583	38%	0.377	S	S	*	.	H	α-helix	trans	-89.5	-28	-177.9	-47.3	0	0	0	0	111.9	L15 I16 H17 R21	L15-T19 WeakPolarHBondContact O-CB 3.48Å; L15-T19 PolarHBondContact O-N 3.27Å; L15-T19 PolarHBondContact O-OG1 3.41Å; I16-T19 PolarHBondContact O-N 3.07Å; I16-T19 VanDerWaalsContact O-N 3.16Å; H17-T19 VanDerWaalsContact C-N 3.27Å; H17-T19 PolarHBondContact O-N 3.02Å; T19-R21 VanDerWaalsContact C-N 3.27Å; T19-R21 PolarHBondContact O-N 2.9Å; T19-R21 VanDerWaalsContact O-N 3.1Å
20	L	65.3	Low	66.2	Low	18 Å²	18	66.8 Å²	66.8	9%	0.094	35%	0.348	C	S	.	.			trans	-87.2	48.3	-178.6	-63.2	-179.8	0	0	0	113.6	I16 A25 R26 W29	I16-L20 HydrophobicContact CG2-CD1 3.53Å; I16-L20 HydrophobicContact CG2-CG 4.16Å; I16-L20 WeakPolarHBondContact O-CB 3.44Å; I16-L20 WeakPolarHBondContact O-CG 3.16Å; I16-L20 PolarHBondContact O-N 3.29Å; L20-A25 HydrophobicContact CD2-CB 4.12Å; L20-A25 VanDerWaalsContact CD2-O 3.26Å; L20-A25 WeakPolarHBondContact CD2-O 3.13Å; L20-R26 HydrophobicContact CB-CG 3.79Å; L20-R26 HydrophobicContact CD1-CG 4.47Å; L20-R26 PolarHBondContact O-NH1 2.85Å; L20-W29 HydrophobicContact CD1-CB 4.31Å; L20-W29 HydrophobicContact CD1-CD2 4.03Å; L20-W29 HydrophobicContact CD1-CE3 4.03Å; L20-W29 HydrophobicContact CD1-CG 4.15Å; L20-W29 HydrophobicContact CD2-CB 3.6Å; L20-W29 HydrophobicContact CD2-CG 4.14Å
21	R	72	Confident	68.9	Low	207 Å²	207	65 Å²	65	78%	0.781	33%	0.331	S	S	*	.			trans	-70.1	-38.4	-175.1	-60.9	-170.7	-176.4	-162.2	-0.9	112.7	S18 T19 R26	S18-R21 VanDerWaalsContact O-CG 3.25Å; S18-R21 WeakPolarHBondContact O-CG 3.32Å; S18-R21 PolarHBondContact O-NE 2.85Å; T19-R21 VanDerWaalsContact C-N 3.27Å; T19-R21 PolarHBondContact O-N 2.9Å; T19-R21 VanDerWaalsContact O-N 3.1Å; R21-R26 PolarHBondContact O-NH1 3.29Å
22	T	83.6	Confident	71.4	Confident	75 Å²	75	65.7 Å²	65.7	46%	0.46	33%	0.328	S	S	.	.	S	Bend	trans	-91.1	154.8	-178.4	65.7	0	0	0	0	111.8	E24 A25 R26	T22-E24 VanDerWaalsContact C-N 3.27Å; T22-E24 PolarHBondContact O-N 3.42Å; T22-A25 PolarHBondContact O-N 2.65Å; T22-A25 VanDerWaalsContact OG1-CB 3.29Å; T22-A25 WeakPolarHBondContact OG1-CB 3.21Å; T22-A25 PolarHBondContact OG1-N 3.16Å; T22-A25 VanDerWaalsContact OG1-N 3.08Å; T22-R26 PolarHBondContact O-N 3.02Å; T22-R26 VanDerWaalsContact O-N 3.12Å
23	A	84.4	Confident	73.7	Confident	40 Å²	40	62.3 Å²	62.3	33%	0.331	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-42.1	172	0	0	0	0	0	111.2	A25 R26 G27 L151	A23-A25 PolarHBondContact O-N 3.38Å; A23-R26 WeakPolarHBondContact O-CB 3.49Å; A23-R26 PolarHBondContact O-N 3.49Å; A23-G27 PolarHBondContact O-N 3.39Å; A23-L151 HydrophobicContact CB-CD1 4.48Å; A23-L151 HydrophobicContact CB-CD2 3.84Å
24	E	85.2	Confident	75.9	Confident	117 Å²	117	58.2 Å²	58.2	55%	0.547	29%	0.292	S	S	.	.	H	α-helix	trans	-57.6	-46.7	176.2	-61.8	171.8	179.9	0	0	112	T22 R26 G27 A28 E93	T22-E24 VanDerWaalsContact C-N 3.27Å; T22-E24 PolarHBondContact O-N 3.42Å; E24-R26 PolarHBondContact O-N 3.02Å; E24-G27 PolarHBondContact O-N 2.85Å; E24-A28 WeakPolarHBondContact O-CB 3.25Å; E24-A28 PolarHBondContact O-N 2.98Å; E24-E93 WeakPolarHBondContact CA-OE2 3.47Å
25	A	85.4	Confident	77.9	Confident	28 Å²	28	52.4 Å²	52.4	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-42.4	177.8	0	0	0	0	0	111.7	L20 T22 A23 A28 W29	L20-A25 HydrophobicContact CD2-CB 4.12Å; L20-A25 VanDerWaalsContact CD2-O 3.26Å; L20-A25 WeakPolarHBondContact CD2-O 3.13Å; T22-A25 PolarHBondContact O-N 2.65Å; T22-A25 VanDerWaalsContact OG1-CB 3.29Å; T22-A25 WeakPolarHBondContact OG1-CB 3.21Å; T22-A25 PolarHBondContact OG1-N 3.16Å; T22-A25 VanDerWaalsContact OG1-N 3.08Å; A23-A25 PolarHBondContact O-N 3.38Å; A25-A28 PolarHBondContact O-N 3.1Å; A25-W29 PolarHBondContact O-N 3.25Å
26	R	86.9	Confident	80.2	Confident	62 Å²	62	49.3 Å²	49.3	23%	0.234	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-44.4	174	-75.9	-170.4	-64.3	-87.8	7.3	111.4	L20 R21 T22 A23 E24 S30 N147	L20-R26 HydrophobicContact CB-CG 3.79Å; L20-R26 HydrophobicContact CD1-CG 4.47Å; L20-R26 PolarHBondContact O-NH1 2.85Å; R21-R26 PolarHBondContact O-NH1 3.29Å; T22-R26 PolarHBondContact O-N 3.02Å; T22-R26 VanDerWaalsContact O-N 3.12Å; A23-R26 WeakPolarHBondContact O-CB 3.49Å; A23-R26 PolarHBondContact O-N 3.49Å; E24-R26 PolarHBondContact O-N 3.02Å; R26-S30 VanDerWaalsContact O-CB 3.24Å; R26-S30 WeakPolarHBondContact O-CB 3.42Å; R26-S30 PolarHBondContact O-N 3.1Å; R26-S30 PolarHBondContact O-OG 2.74Å; R26-N147 HydrophobicContact CB-CB 4.42Å
27	G	88.4	Confident	82	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-52.5	176	0	0	0	0	0	112	A23 E24 W29 S30 G31 L95	A23-G27 PolarHBondContact O-N 3.39Å; E24-G27 PolarHBondContact O-N 2.85Å; G27-W29 PolarHBondContact O-N 3.3Å; G27-S30 PolarHBondContact O-N 3.37Å; G27-G31 PolarHBondContact O-N 3.09Å; G27-L95 WeakPolarHBondContact O-CD1 3.39Å
28	A	89.4	Confident	83.8	Confident	30 Å²	30	44.5 Å²	44.5	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-48.3	179.2	0	0	0	0	0	113.2	E24 A25 R32	E24-A28 WeakPolarHBondContact O-CB 3.25Å; E24-A28 PolarHBondContact O-N 2.98Å; A25-A28 PolarHBondContact O-N 3.1Å; A28-R32 PolarHBondContact O-N 2.71Å
29	W	90.5	Very high	85.6	Confident	13 Å²	13	43.2 Å²	43.2	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-45.8	176.7	175.2	87.9	0	0	0	111.7	I16 L20 A25 G27 G31 R32 V33 F136 D140 V143 A144	I16-W29 HydrophobicContact CG2-CZ2 4.4Å; L20-W29 HydrophobicContact CD1-CB 4.31Å; L20-W29 HydrophobicContact CD1-CD2 4.03Å; L20-W29 HydrophobicContact CD1-CE3 4.03Å; L20-W29 HydrophobicContact CD1-CG 4.15Å; L20-W29 HydrophobicContact CD2-CB 3.6Å; L20-W29 HydrophobicContact CD2-CG 4.14Å; A25-W29 PolarHBondContact O-N 3.25Å; G27-W29 PolarHBondContact O-N 3.3Å; W29-G31 VanDerWaalsContact C-N 3.32Å; W29-G31 PolarHBondContact O-N 2.83Å; W29-R32 PolarHBondContact O-N 2.9Å; W29-R32 VanDerWaalsContact O-N 3.16Å; W29-V33 HydrophobicContact CD2-CG2 3.99Å; W29-V33 HydrophobicContact CE3-CG2 4.25Å; W29-V33 HydrophobicContact CH2-CG2 3.91Å; W29-V33 HydrophobicContact CZ2-CG2 3.63Å; W29-V33 HydrophobicContact CZ3-CG2 4.22Å; W29-V33 WeakPolarHBondContact O-CG2 3.32Å; W29-V33 PolarHBondContact O-N 2.64Å; W29-F136 AromaticContact NE1-CE1 3.88Å; W29-D140 HydrophobicContact CH2-CB 4.4Å; W29-D140 WeakPolarHBondContact CH2-O 3.42Å; W29-D140 HydrophobicContact CZ2-CB 4.28Å; W29-V143 HydrophobicContact CH2-CB 3.99Å; W29-V143 HydrophobicContact CH2-CG1 3.82Å; W29-V143 HydrophobicContact CZ3-CB 4.29Å; W29-V143 HydrophobicContact CZ3-CG1 3.85Å; W29-A144 HydrophobicContact CE3-CB 4.38Å; W29-A144 HydrophobicContact CH2-CB 4.24Å; W29-A144 HydrophobicContact CZ3-CB 3.72Å
30	S	93.8	Very high	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-40.4	-179	-54.5	0	0	0	0	111.4	R26 G27 R32 V33 L34 A144	R26-S30 VanDerWaalsContact O-CB 3.24Å; R26-S30 WeakPolarHBondContact O-CB 3.42Å; R26-S30 PolarHBondContact O-N 3.1Å; R26-S30 PolarHBondContact O-OG 2.74Å; G27-S30 PolarHBondContact O-N 3.37Å; S30-R32 PolarHBondContact O-N 3.18Å; S30-V33 PolarHBondContact O-N 3.07Å; S30-L34 VanDerWaalsContact O-CD1 3.27Å; S30-L34 WeakPolarHBondContact O-CD1 3.38Å; S30-L34 PolarHBondContact O-N 3.26Å; S30-A144 PolarHBondContact OG-O 3.01Å
31	G	93.3	Very high	88.2	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-42	174.1	0	0	0	0	0	113.1	G27 W29 L34 R35	G27-G31 PolarHBondContact O-N 3.09Å; W29-G31 VanDerWaalsContact C-N 3.32Å; W29-G31 PolarHBondContact O-N 2.83Å; G31-L34 PolarHBondContact O-N 3.43Å; G31-R35 WeakPolarHBondContact O-CB 3.43Å; G31-R35 PolarHBondContact O-N 3.5Å
32	R	91.1	Very high	89	Confident	140 Å²	140	44.6 Å²	44.6	53%	0.528	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-44.5	174.5	-72.6	-168.8	-66.8	-122.6	0.8	112.3	A28 W29 S30 L34 R35 T36	A28-R32 PolarHBondContact O-N 2.71Å; W29-R32 PolarHBondContact O-N 2.9Å; W29-R32 VanDerWaalsContact O-N 3.16Å; S30-R32 PolarHBondContact O-N 3.18Å; R32-L34 PolarHBondContact O-N 2.92Å; R32-R35 PolarHBondContact O-N 3.18Å; R32-T36 WeakPolarHBondContact O-CB 3.49Å; R32-T36 PolarHBondContact O-N 3.16Å; R32-T36 PolarHBondContact O-OG1 3.4Å; R32-T36 VanDerWaalsContact O-OG1 3.09Å
33	V	92.4	Very high	89	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-50.1	176.7	175.1	0	0	0	0	110.7	W29 S30 L37 F136 D140 L141 A144	W29-V33 HydrophobicContact CD2-CG2 3.99Å; W29-V33 HydrophobicContact CE3-CG2 4.25Å; W29-V33 HydrophobicContact CH2-CG2 3.91Å; W29-V33 HydrophobicContact CZ2-CG2 3.63Å; W29-V33 HydrophobicContact CZ3-CG2 4.22Å; W29-V33 WeakPolarHBondContact O-CG2 3.32Å; W29-V33 PolarHBondContact O-N 2.64Å; S30-V33 PolarHBondContact O-N 3.07Å; V33-L37 HydrophobicContact CG1-CD1 3.92Å; V33-L37 WeakPolarHBondContact O-CB 3.19Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 3.46Å; V33-L37 VanDerWaalsContact O-N 3.08Å; V33-F136 HydrophobicContact CB-CD2 4.36Å; V33-F136 HydrophobicContact CB-CG 4.34Å; V33-F136 HydrophobicContact CG1-CB 4.23Å; V33-F136 HydrophobicContact CG1-CG 4.27Å; V33-F136 HydrophobicContact CG2-CD1 3.66Å; V33-F136 HydrophobicContact CG2-CD2 4.12Å; V33-F136 HydrophobicContact CG2-CE1 3.65Å; V33-F136 HydrophobicContact CG2-CE2 4.1Å; V33-F136 HydrophobicContact CG2-CG 3.9Å; V33-F136 HydrophobicContact CG2-CZ 3.87Å; V33-D140 HydrophobicContact CG1-CB 4.3Å; V33-L141 HydrophobicContact CG1-CB 4.47Å; V33-L141 HydrophobicContact CG1-CD1 4.47Å; V33-A144 HydrophobicContact CB-CB 3.82Å; V33-A144 HydrophobicContact CG1-CB 3.81Å; V33-A144 HydrophobicContact CG2-CB 4.23Å
34	L	93.8	Very high	89.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-49	-179.9	-93.1	64.1	0	0	0	111	S30 G31 R32 L37 M38 W68 L69 W87 L90 W114 L141 A144 I145 L148	S30-L34 VanDerWaalsContact O-CD1 3.27Å; S30-L34 WeakPolarHBondContact O-CD1 3.38Å; S30-L34 PolarHBondContact O-N 3.26Å; G31-L34 PolarHBondContact O-N 3.43Å; R32-L34 PolarHBondContact O-N 2.92Å; L34-L37 PolarHBondContact O-N 3Å; L34-M38 WeakPolarHBondContact O-CB 3.45Å; L34-M38 PolarHBondContact O-N 3.07Å; L34-W68 HydrophobicContact CB-CH2 4.35Å; L34-W68 HydrophobicContact CB-CZ3 4.49Å; L34-W68 HydrophobicContact CD2-CZ3 4.32Å; L34-W68 HydrophobicContact CG-CH2 4.12Å; L34-W68 HydrophobicContact CG-CZ3 4.02Å; L34-L69 HydrophobicContact CD2-CD1 4.42Å; L34-W87 HydrophobicContact CD2-CH2 4.14Å; L34-W87 HydrophobicContact CD2-CZ3 4.37Å; L34-L90 HydrophobicContact CD2-CD1 4.07Å; L34-W114 HydrophobicContact CB-CH2 4.18Å; L34-L141 HydrophobicContact CD1-CD1 3.92Å; L34-L141 HydrophobicContact CG-CD1 4.4Å; L34-A144 HydrophobicContact CD1-CB 3.72Å; L34-I145 HydrophobicContact CD1-CG1 4.32Å; L34-L148 HydrophobicContact CD1-CD1 4.18Å; L34-L148 HydrophobicContact CD2-CD1 3.74Å
35	R	91.7	Very high	89.6	Confident	18 Å²	18	43 Å²	43	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-49	-179.8	-175.6	176	174.5	-93.2	-10.1	112.3	G31 R32 L37 M38 L39 W114 D116 D117	G31-R35 WeakPolarHBondContact O-CB 3.43Å; G31-R35 PolarHBondContact O-N 3.5Å; R32-R35 PolarHBondContact O-N 3.18Å; R35-L37 PolarHBondContact O-N 3.24Å; R35-M38 WeakPolarHBondContact O-CB 3.48Å; R35-M38 PolarHBondContact O-N 3.47Å; R35-L39 HydrophobicContact CG-CD1 4.18Å; R35-L39 WeakPolarHBondContact O-CG 3.29Å; R35-L39 PolarHBondContact O-N 2.86Å; R35-W114 HydrophobicContact CB-CD2 3.86Å; R35-W114 HydrophobicContact CB-CE3 3.98Å; R35-W114 HydrophobicContact CB-CH2 3.89Å; R35-W114 HydrophobicContact CB-CZ2 3.75Å; R35-W114 HydrophobicContact CB-CZ3 4Å; R35-W114 HydrophobicContact CG-CD2 3.72Å; R35-W114 HydrophobicContact CG-CE3 4.22Å; R35-W114 HydrophobicContact CG-CG 3.89Å; R35-W114 HydrophobicContact CG-CZ2 4.3Å; R35-D116 VanDerWaalsContact CZ-CB 3.42Å; R35-D116 IonicContact CZ-OD2 3.4Å; R35-D116 IonicContact NE-OD2 3.6Å; R35-D116 IonicContact NH1-OD2 2.9Å; R35-D116 PolarHBondContact NH1-OD2 3.44Å; R35-D117 IonicContact CZ-OD1 3.7Å; R35-D117 IonicContact NE-OD1 3.92Å; R35-D117 IonicContact NE-OD2 3.79Å; R35-D117 IonicContact NH2-OD1 2.71Å; R35-D117 PolarHBondContact NH2-OD1 3.2Å; R35-D117 IonicContact NH2-OD2 3.8Å
36	T	89.4	Confident	89.9	Confident	26 Å²	26	42.5 Å²	42.5	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-46.5	-179.2	-64.6	0	0	0	0	111.4	R32 M38 L39 Y40 L130 F136	R32-T36 WeakPolarHBondContact O-CB 3.49Å; R32-T36 PolarHBondContact O-N 3.16Å; R32-T36 PolarHBondContact O-OG1 3.4Å; R32-T36 VanDerWaalsContact O-OG1 3.09Å; T36-M38 VanDerWaalsContact C-N 3.34Å; T36-M38 PolarHBondContact O-N 3.23Å; T36-L39 PolarHBondContact O-N 3.46Å; T36-Y40 PolarHBondContact O-N 3.21Å; T36-Y40 VanDerWaalsContact O-N 3.14Å; T36-L130 HydrophobicContact CG2-CD2 3.95Å; T36-F136 HydrophobicContact CG2-CD2 4.05Å
37	L	89.8	Confident	90.1	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-69.9	-32.2	179.3	-72.5	175.4	0	0	0	112.8	V33 L34 R35 Y40 R41 F136 L141	V33-L37 HydrophobicContact CG1-CD1 3.92Å; V33-L37 WeakPolarHBondContact O-CB 3.19Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 3.46Å; V33-L37 VanDerWaalsContact O-N 3.08Å; L34-L37 PolarHBondContact O-N 3Å; R35-L37 PolarHBondContact O-N 3.24Å; L37-Y40 PolarHBondContact O-N 3.12Å; L37-R41 VanDerWaalsContact O-CB 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.41Å; L37-R41 WeakPolarHBondContact O-CG 3.39Å; L37-R41 PolarHBondContact O-N 3.08Å; L37-F136 HydrophobicContact CD1-CB 4.34Å; L37-F136 WeakPolarHBondContact CD2-O 3.27Å; L37-F136 HydrophobicContact CG-CB 4.31Å; L37-L141 HydrophobicContact CD1-CB 3.57Å; L37-L141 HydrophobicContact CD1-CD1 3.93Å; L37-L141 HydrophobicContact CD1-CD2 4.05Å; L37-L141 HydrophobicContact CD1-CG 4.05Å
38	M	90	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-47.2	173.5	178.6	-178.8	-65.6	0	0	111.9	L34 R35 T36 Y40 T42 M45 I46 M60 W68 W87 W114	L34-M38 WeakPolarHBondContact O-CB 3.45Å; L34-M38 PolarHBondContact O-N 3.07Å; R35-M38 WeakPolarHBondContact O-CB 3.48Å; R35-M38 PolarHBondContact O-N 3.47Å; T36-M38 VanDerWaalsContact C-N 3.34Å; T36-M38 PolarHBondContact O-N 3.23Å; M38-Y40 VanDerWaalsContact C-N 3.27Å; M38-Y40 PolarHBondContact O-N 3.45Å; M38-T42 CarbonylContact O-C 3.58Å; M38-T42 WeakPolarHBondContact O-CA 3.35Å; M38-T42 PolarHBondContact O-N 3.35Å; M38-M45 HydrophobicContact CE-CE 3.11Å; M38-M45 HydrophobicContact CG-CE 3.44Å; M38-M45 VanDerWaalsContact CG-CE 3.44Å; M38-M45 HydrophobicContact SD-CE 3.09Å; M38-M45 WeakPolarHBondContact SD-CE 3.39Å; M38-I46 HydrophobicContact CG-CD1 4.09Å; M38-I46 HydrophobicContact SD-CD1 3.84Å; M38-I46 HydrophobicContact SD-CG1 4.12Å; M38-M60 HydrophobicContact CE-SD 4.35Å; M38-M60 HydrophobicContact SD-SD 3.51Å; M38-W68 HydrophobicContact CB-CH2 4.3Å; M38-W68 HydrophobicContact CB-CZ2 3.84Å; M38-W68 HydrophobicContact CE-CD2 3.97Å; M38-W68 HydrophobicContact CE-CE3 3.77Å; M38-W68 HydrophobicContact CE-CH2 4.13Å; M38-W68 HydrophobicContact CE-CZ2 4.31Å; M38-W68 HydrophobicContact CE-CZ3 3.86Å; M38-W87 HydrophobicContact CE-CH2 3.57Å; M38-W87 HydrophobicContact CE-CZ2 4.22Å; M38-W114 HydrophobicContact CE-CZ2 4.07Å; M38-W114 HydrophobicContact SD-CZ2 4.18Å
39	L	87.9	Confident	90.6	Very high	28 Å²	28	48.3 Å²	48.3	15%	0.147	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-39	175.8	-75.1	167.6	0	0	0	111.9	R35 T36 I46	R35-L39 HydrophobicContact CG-CD1 4.18Å; R35-L39 WeakPolarHBondContact O-CG 3.29Å; R35-L39 PolarHBondContact O-N 2.86Å; T36-L39 PolarHBondContact O-N 3.46Å; L39-I46 HydrophobicContact CD2-CD1 3.56Å; L39-I46 HydrophobicContact CG-CD1 3.93Å
40	Y	86.2	Confident	90.6	Very high	185 Å²	185	55.4 Å²	55.4	73%	0.725	26%	0.256	S	S	*	.	H	α-helix	trans	-78.8	-45.5	-178.5	-174.5	-103.2	0	0	0	113.5	T36 L37 M38	T36-Y40 PolarHBondContact O-N 3.21Å; T36-Y40 VanDerWaalsContact O-N 3.14Å; L37-Y40 PolarHBondContact O-N 3.12Å; M38-Y40 VanDerWaalsContact C-N 3.27Å; M38-Y40 PolarHBondContact O-N 3.45Å
41	R	87.5	Confident	90.3	Very high	123 Å²	123	60 Å²	60	46%	0.464	28%	0.276	S	S	.	.	H	α-helix	trans	-91	-22.6	-172.2	-61.6	-176.9	-180	179.3	3	113.7	L37	L37-R41 VanDerWaalsContact O-CB 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.41Å; L37-R41 WeakPolarHBondContact O-CG 3.39Å; L37-R41 PolarHBondContact O-N 3.08Å
42	T	89.2	Confident	90.1	Very high	42 Å²	42	66.9 Å²	66.9	26%	0.258	31%	0.307	S	S	.	.			trans	-144.8	59.4	-175.5	-43	0	0	0	0	111.1	M38 T44 M45 W68	M38-T42 CarbonylContact O-C 3.58Å; M38-T42 WeakPolarHBondContact O-CA 3.35Å; M38-T42 PolarHBondContact O-N 3.35Å; T42-T44 PolarHBondContact O-N 3.47Å; T42-T44 VanDerWaalsContact O-N 3.08Å; T42-M45 HydrophobicContact CG2-CB 4.03Å; T42-M45 WeakPolarHBondContact O-CB 3.37Å; T42-M45 PolarHBondContact O-N 3.25Å; T42-W68 PolarHBondContact OG1-NE1 3.03Å
43	P	83.1	Confident	90.1	Very high	82 Å²	82	66.7 Å²	66.7	53%	0.532	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.1	-175.5	24.3	-34.8	0	0	0	113.5	M45	P43-M45 PolarHBondContact O-N 3.07Å
44	T	90	Very high	90	Very high	107 Å²	107	71.9 Å²	71.9	66%	0.656	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.8	177.7	51.8	0	0	0	0	113.9	T42 R47	T42-T44 PolarHBondContact O-N 3.47Å; T42-T44 VanDerWaalsContact O-N 3.08Å; T44-R47 VanDerWaalsContact O-CD 3.3Å; T44-R47 WeakPolarHBondContact O-CD 3.21Å; T44-R47 PolarHBondContact O-NE 3.36Å
45	M	91.9	Very high	89.9	Confident	9 Å²	9	77.1 Å²	77.1	4%	0.044	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-41.5	-178.5	-165.4	162.5	78.7	0	0	112.3	M38 T42 P43 R49 M60 E64 M65 W68	M38-M45 HydrophobicContact CE-CE 3.11Å; M38-M45 HydrophobicContact CG-CE 3.44Å; M38-M45 VanDerWaalsContact CG-CE 3.44Å; M38-M45 HydrophobicContact SD-CE 3.09Å; M38-M45 WeakPolarHBondContact SD-CE 3.39Å; T42-M45 HydrophobicContact CG2-CB 4.03Å; T42-M45 WeakPolarHBondContact O-CB 3.37Å; T42-M45 PolarHBondContact O-N 3.25Å; P43-M45 PolarHBondContact O-N 3.07Å; M45-R49 PolarHBondContact O-NH1 3.24Å; M45-R49 VanDerWaalsContact O-NH1 3.09Å; M45-R49 PolarHBondContact O-NH2 3.2Å; M45-M60 HydrophobicContact CE-SD 4.49Å; M45-E64 HydrophobicContact CG-CB 4.48Å; M45-E64 HydrophobicContact SD-CB 4.29Å; M45-M65 HydrophobicContact CE-CG 4.49Å; M45-W68 HydrophobicContact CE-CB 4.07Å; M45-W68 HydrophobicContact CE-CD2 4.28Å; M45-W68 HydrophobicContact CE-CG 3.9Å; M45-W68 HydrophobicContact SD-CB 3.83Å; M45-W68 HydrophobicContact SD-CG 4.13Å
46	I	92	Very high	89.9	Confident	17 Å²	17	78.6 Å²	78.6	9%	0.087	38%	0.378	C	S	.	.	S	Bend	trans	-90.6	104	177.2	-61.1	167.9	0	0	0	108.5	M38 L39 R58 C59 M60	M38-I46 HydrophobicContact CG-CD1 4.09Å; M38-I46 HydrophobicContact SD-CD1 3.84Å; M38-I46 HydrophobicContact SD-CG1 4.12Å; L39-I46 HydrophobicContact CD2-CD1 3.56Å; L39-I46 HydrophobicContact CG-CD1 3.93Å; I46-R58 HydrophobicContact CG2-CB 3.98Å; I46-C59 WeakPolarHBondContact CA-O 3.28Å; I46-M60 HydrophobicContact CD1-SD 4.42Å; I46-M60 HydrophobicContact CG1-CG 3.66Å; I46-M60 HydrophobicContact CG1-SD 3.94Å
47	R	91.7	Very high	90	Very high	124 Å²	124	83.5 Å²	83.5	47%	0.468	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.8	-176.4	59.8	177.7	176.5	121.5	-1.3	112.2	T44 R49 C59	T44-R47 VanDerWaalsContact O-CD 3.3Å; T44-R47 WeakPolarHBondContact O-CD 3.21Å; T44-R47 PolarHBondContact O-NE 3.36Å; R47-R49 HydrophobicContact CG-CG 4.36Å; R47-R49 PolarHBondContact O-N 3Å; R47-R49 PolarHBondContact O-NH1 3.26Å; R47-C59 PolarHBondContact N-O 2.73Å; R47-C59 PolarHBondContact O-N 2.96Å; R47-C59 PolarHBondContact O-SG 3.27Å
48	D	92.9	Very high	90	Very high	81 Å²	81	85.7 Å²	85.7	43%	0.433	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.4	173	-65.8	4.1	0	0	0	109.5	Y56 K57 R58	D48-Y56 CarbonylContact C-O 3.43Å; D48-Y56 WeakPolarHBondContact CA-O 3.44Å; D48-K57 WeakPolarHBondContact OD1-CA 3.46Å; D48-R58 PolarHBondContact OD1-N 3.48Å
49	R	93.6	Very high	90.2	Very high	10 Å²	10	85.7 Å²	85.7	4%	0.038	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.2	176	-65.6	-178.2	174.2	72.7	-7.7	109.9	M45 R47 Y56 C59 V61 E64 F111	M45-R49 PolarHBondContact O-NH1 3.24Å; M45-R49 VanDerWaalsContact O-NH1 3.09Å; M45-R49 PolarHBondContact O-NH2 3.2Å; R47-R49 HydrophobicContact CG-CG 4.36Å; R47-R49 PolarHBondContact O-N 3Å; R47-R49 PolarHBondContact O-NH1 3.26Å; R49-Y56 PolarHBondContact N-O 3.37Å; R49-Y56 PolarHBondContact O-N 2.66Å; R49-C59 PolarHBondContact NH1-O 2.9Å; R49-V61 VanDerWaalsContact NE-CG2 3.27Å; R49-E64 IonicContact CZ-OE2 3.25Å; R49-E64 IonicContact NH2-OE1 3.77Å; R49-E64 IonicContact NH2-OE2 2.61Å; R49-E64 PolarHBondContact NH2-OE2 2.79Å; R49-F111 HydrophobicContact CB-CE2 4.13Å; R49-F111 HydrophobicContact CB-CZ 4.01Å
50	K	91.2	Very high	90.6	Very high	161 Å²	161	84.3 Å²	84.3	70%	0.7	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	131.4	171.6	-175.2	179.1	178.5	-179.1	0	108.8	H52 Q54	K50-H52 WeakPolarHBondContact CE-O 3.48Å; K50-Q54 WeakPolarHBondContact CA-O 3.19Å
51	F	88.3	Confident	91.1	Very high	96 Å²	96	75.5 Å²	75.5	42%	0.421	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.3	170.8	-175.7	-104.7	0	0	0	109	T53 Q54 Y56 F111	F51-T53 PolarHBondContact O-N 2.54Å; F51-Q54 PolarHBondContact N-O 3.04Å; F51-Q54 PolarHBondContact O-N 3.19Å; F51-Q54 VanDerWaalsContact O-N 3.11Å; F51-Y56 HydrophobicContact CB-CD2 4.33Å; F51-Y56 HydrophobicContact CB-CE2 4.02Å; F51-F111 HydrophobicContact CB-CE2 3.54Å; F51-F111 HydrophobicContact CB-CZ 3.95Å; F51-F111 HydrophobicContact CG-CE2 4.25Å; F51-F111 HydrophobicContact CG-CZ 4.43Å
52	H	89.2	Confident	91.6	Very high	147 Å²	147	69.7 Å²	69.7	68%	0.681	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	-121.3	-164.8	-63.6	82.5	0	0	0	111.5	K50	K50-H52 WeakPolarHBondContact CE-O 3.48Å
53	T	89.6	Confident	92	Very high	137 Å²	137	69.7 Å²	69.7	84%	0.84	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10	-179.8	51	0	0	0	0	113.2	F51	F51-T53 PolarHBondContact O-N 2.54Å
54	Q	90.9	Very high	92.7	Very high	108 Å²	108	68.7 Å²	68.7	51%	0.505	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.2	-173.9	-168.4	62.3	22.5	0	0	111.7	K50 F51 Y56	K50-Q54 WeakPolarHBondContact CA-O 3.19Å; F51-Q54 PolarHBondContact N-O 3.04Å; F51-Q54 PolarHBondContact O-N 3.19Å; F51-Q54 VanDerWaalsContact O-N 3.11Å; Q54-Y56 HydrophobicContact CB-CE2 3.82Å; Q54-Y56 HydrophobicContact CG-CD2 4.43Å; Q54-Y56 HydrophobicContact CG-CE1 4.07Å; Q54-Y56 HydrophobicContact CG-CE2 3.87Å
55	M	91.7	Very high	93.1	Very high	111 Å²	111	63.6 Å²	63.6	55%	0.547	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.8	171	-161.2	-161.5	-56.9	0	0	109.5
56	Y	91.4	Very high	93.4	Very high	48 Å²	48	63.2 Å²	63.2	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.7	176.7	-62.2	-84.6	0	0	0	108.4	D48 R49 F51 Q54 V99 F111	D48-Y56 CarbonylContact C-O 3.43Å; D48-Y56 WeakPolarHBondContact CA-O 3.44Å; R49-Y56 PolarHBondContact N-O 3.37Å; R49-Y56 PolarHBondContact O-N 2.66Å; F51-Y56 HydrophobicContact CB-CD2 4.33Å; F51-Y56 HydrophobicContact CB-CE2 4.02Å; Q54-Y56 HydrophobicContact CB-CE2 3.82Å; Q54-Y56 HydrophobicContact CG-CD2 4.43Å; Q54-Y56 HydrophobicContact CG-CE1 4.07Å; Q54-Y56 HydrophobicContact CG-CE2 3.87Å; Y56-V99 HydrophobicContact CD1-CB 3.78Å; Y56-V99 HydrophobicContact CD1-CG1 4.16Å; Y56-V99 HydrophobicContact CD1-CG2 3.54Å; Y56-V99 HydrophobicContact CE1-CB 4.1Å; Y56-V99 HydrophobicContact CE1-CG2 3.53Å; Y56-V99 HydrophobicContact CG-CG2 4.4Å; Y56-F111 HydrophobicContact CD1-CD2 4.47Å; Y56-F111 AromaticContact CD2-CD2 3.55Å; Y56-F111 HydrophobicContact CD2-CD2 3.55Å; Y56-F111 AromaticContact CD2-CE2 3.63Å; Y56-F111 HydrophobicContact CD2-CE2 3.63Å; Y56-F111 HydrophobicContact CE2-CD2 4.1Å; Y56-F111 HydrophobicContact CE2-CE2 4.14Å; Y56-F111 AromaticContact CG-CD2 3.75Å; Y56-F111 HydrophobicContact CG-CD2 3.75Å; Y56-F111 HydrophobicContact CG-CE2 4.25Å
57	K	91.3	Very high	93.6	Very high	129 Å²	129	66.3 Å²	66.3	56%	0.561	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	143.3	-177.7	-64.7	-174.9	176.8	-178.2	0	111.3	D48 C59 R113	D48-K57 WeakPolarHBondContact OD1-CA 3.46Å; K57-C59 PolarHBondContact O-N 2.92Å; K57-R113 VanDerWaalsContact O-CZ 3.23Å; K57-R113 PolarHBondContact O-NE 2.81Å; K57-R113 VanDerWaalsContact O-NE 3.12Å; K57-R113 PolarHBondContact O-NH2 3.4Å
58	R	90.9	Very high	93.9	Very high	54 Å²	54	61.6 Å²	61.6	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	44.2	43.9	171	-57.4	-174.5	69.3	-172.5	-0.6	113.7	I46 D48 D117	I46-R58 HydrophobicContact CG2-CB 3.98Å; D48-R58 PolarHBondContact OD1-N 3.48Å; R58-D117 HydrophobicContact CB-CB 4.21Å; R58-D117 IonicContact CZ-OD1 2.94Å; R58-D117 IonicContact NE-OD1 3.64Å; R58-D117 IonicContact NH1-OD1 3.1Å; R58-D117 PolarHBondContact NH1-OD1 3.32Å; R58-D117 VanDerWaalsContact NH1-OD1 3.1Å; R58-D117 IonicContact NH2-OD1 2.83Å; R58-D117 PolarHBondContact NH2-OD1 3.41Å; R58-D117 IonicContact NH2-OD2 3.95Å
59	C	93.9	Very high	94.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	171.3	179.6	64.6	0	0	0	0	111.5	I46 R47 R49 K57 V99 F111 Y112	I46-C59 WeakPolarHBondContact CA-O 3.28Å; R47-C59 PolarHBondContact N-O 2.73Å; R47-C59 PolarHBondContact O-N 2.96Å; R47-C59 PolarHBondContact O-SG 3.27Å; R49-C59 PolarHBondContact NH1-O 2.9Å; K57-C59 PolarHBondContact O-N 2.92Å; C59-V99 HydrophobicContact CB-CG1 4.21Å; C59-F111 HydrophobicContact CB-CB 4.17Å; C59-Y112 CarbonylContact C-O 3.51Å; C59-Y112 WeakPolarHBondContact CA-O 3.48Å; C59-Y112 WeakPolarHBondContact CB-O 3.5Å
60	M	96.4	Very high	94.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.1	173.2	-59	165.5	-71.6	0	0	108.3	M38 M45 I46 M65 I96 F111 Y112 W114	M38-M60 HydrophobicContact CE-SD 4.35Å; M38-M60 HydrophobicContact SD-SD 3.51Å; M45-M60 HydrophobicContact CE-SD 4.49Å; I46-M60 HydrophobicContact CD1-SD 4.42Å; I46-M60 HydrophobicContact CG1-CG 3.66Å; I46-M60 HydrophobicContact CG1-SD 3.94Å; M60-M65 HydrophobicContact CB-CG 3.7Å; M60-M65 HydrophobicContact CB-SD 3.5Å; M60-M65 VanDerWaalsContact CB-SD 3.5Å; M60-M65 HydrophobicContact CE-CE 3.89Å; M60-M65 HydrophobicContact CE-SD 4.05Å; M60-M65 HydrophobicContact CG-CG 4.49Å; M60-M65 HydrophobicContact CG-SD 4.41Å; M60-M65 HydrophobicContact SD-CE 4.11Å; M60-M65 HydrophobicContact SD-CG 4.28Å; M60-M65 HydrophobicContact SD-SD 4.09Å; M60-I96 HydrophobicContact CE-CG2 4.49Å; M60-F111 CarbonylContact O-C 3.57Å; M60-F111 VanDerWaalsContact O-CA 3.29Å; M60-F111 WeakPolarHBondContact O-CA 3.36Å; M60-Y112 PolarHBondContact N-O 3.48Å; M60-Y112 PolarHBondContact O-N 3.33Å; M60-W114 VanDerWaalsContact CE-CD1 3.44Å; M60-W114 HydrophobicContact CE-CD2 4.38Å; M60-W114 HydrophobicContact CE-CG 4.06Å; M60-W114 PolarHBondContact SD-NE1 2.79Å
61	V	97	Very high	94.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.6	176	-175.1	0	0	0	0	109.4	R49 T63 E64 M65 Y109 L110 F111	R49-V61 VanDerWaalsContact NE-CG2 3.27Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 WeakPolarHBondContact CG1-OG1 3.48Å; V61-T63 PolarHBondContact O-N 3.38Å; V61-E64 HydrophobicContact CB-CB 4.14Å; V61-E64 HydrophobicContact CB-CG 3.87Å; V61-E64 HydrophobicContact CG1-CG 4.5Å; V61-E64 HydrophobicContact CG2-CG 4.42Å; V61-E64 WeakPolarHBondContact O-CB 3.47Å; V61-E64 PolarHBondContact O-N 2.93Å; V61-M65 WeakPolarHBondContact O-CG 3.46Å; V61-M65 PolarHBondContact O-N 2.83Å; V61-Y109 HydrophobicContact CG1-CD2 3.51Å; V61-Y109 HydrophobicContact CG1-CE2 3.9Å; V61-Y109 HydrophobicContact CG1-CG 4.15Å; V61-Y109 HydrophobicContact CG2-CE2 4.15Å; V61-L110 CarbonylContact C-O 3.56Å; V61-L110 WeakPolarHBondContact CA-O 3.36Å; V61-F111 HydrophobicContact CG2-CD1 4.2Å; V61-F111 HydrophobicContact CG2-CE1 4.14Å
62	G	97.9	Very high	94.6	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-49.9	-47.8	-178.2	0	0	0	0	0	114	E64 M65 V66 K108 L110	G62-E64 PolarHBondContact O-N 3.36Å; G62-M65 WeakPolarHBondContact O-CB 3.43Å; G62-M65 PolarHBondContact O-N 3.38Å; G62-V66 PolarHBondContact O-N 3.14Å; G62-V66 VanDerWaalsContact O-N 3.09Å; G62-K108 WeakPolarHBondContact CA-O 3.18Å; G62-L110 PolarHBondContact N-O 2.68Å
63	T	98.1	Very high	94.7	Very high	42 Å²	42	51.5 Å²	51.5	26%	0.258	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-41.1	176.7	51.8	0	0	0	0	113.4	V61 M65 V66 D67 D107 K108	V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 WeakPolarHBondContact CG1-OG1 3.48Å; V61-T63 PolarHBondContact O-N 3.38Å; T63-M65 VanDerWaalsContact C-N 3.33Å; T63-V66 PolarHBondContact O-N 2.94Å; T63-D67 VanDerWaalsContact O-CG 3.32Å; T63-D67 PolarHBondContact O-N 2.96Å; T63-D67 VanDerWaalsContact O-N 3.12Å; T63-D107 WeakPolarHBondContact CA-OD1 3.43Å; T63-D107 WeakPolarHBondContact CG2-OD1 3.48Å; T63-K108 PolarHBondContact N-O 2.92Å
64	E	97.4	Very high	94.7	Very high	62 Å²	62	52.7 Å²	52.7	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-36.3	178	-64.8	173.3	-177	0	0	111.1	M45 R49 V61 G62 D67 W68	M45-E64 HydrophobicContact CG-CB 4.48Å; M45-E64 HydrophobicContact SD-CB 4.29Å; R49-E64 IonicContact CZ-OE2 3.25Å; R49-E64 IonicContact NH2-OE1 3.77Å; R49-E64 IonicContact NH2-OE2 2.61Å; R49-E64 PolarHBondContact NH2-OE2 2.79Å; V61-E64 HydrophobicContact CB-CB 4.14Å; V61-E64 HydrophobicContact CB-CG 3.87Å; V61-E64 HydrophobicContact CG1-CG 4.5Å; V61-E64 HydrophobicContact CG2-CG 4.42Å; V61-E64 WeakPolarHBondContact O-CB 3.47Å; V61-E64 PolarHBondContact O-N 2.93Å; G62-E64 PolarHBondContact O-N 3.36Å; E64-D67 PolarHBondContact O-N 3.32Å; E64-W68 WeakPolarHBondContact O-CB 3.46Å; E64-W68 PolarHBondContact O-N 3.12Å
65	M	97.9	Very high	94.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-39.7	176.6	-67.7	172.6	68.7	0	0	112	M45 M60 V61 G62 T63 L69 W87 I96 F105 Y112	M45-M65 HydrophobicContact CE-CG 4.49Å; M60-M65 HydrophobicContact CB-CG 3.7Å; M60-M65 HydrophobicContact CB-SD 3.5Å; M60-M65 VanDerWaalsContact CB-SD 3.5Å; M60-M65 HydrophobicContact CE-CE 3.89Å; M60-M65 HydrophobicContact CE-SD 4.05Å; M60-M65 HydrophobicContact CG-CG 4.49Å; M60-M65 HydrophobicContact CG-SD 4.41Å; M60-M65 HydrophobicContact SD-CE 4.11Å; M60-M65 HydrophobicContact SD-CG 4.28Å; M60-M65 HydrophobicContact SD-SD 4.09Å; V61-M65 WeakPolarHBondContact O-CG 3.46Å; V61-M65 PolarHBondContact O-N 2.83Å; G62-M65 WeakPolarHBondContact O-CB 3.43Å; G62-M65 PolarHBondContact O-N 3.38Å; T63-M65 VanDerWaalsContact C-N 3.33Å; M65-L69 WeakPolarHBondContact O-CB 3.48Å; M65-L69 PolarHBondContact O-N 3.49Å; M65-W87 HydrophobicContact CB-CD2 4.42Å; M65-W87 HydrophobicContact CB-CZ2 3.98Å; M65-W87 HydrophobicContact CE-CD2 3.74Å; M65-W87 HydrophobicContact CE-CE3 3.4Å; M65-W87 HydrophobicContact CE-CG 4.49Å; M65-W87 HydrophobicContact CE-CH2 3.98Å; M65-W87 HydrophobicContact CE-CZ2 4.23Å; M65-W87 HydrophobicContact CE-CZ3 3.54Å; M65-W87 WeakPolarHBondContact O-CZ2 3.46Å; M65-W87 PolarHBondContact O-NE1 3.45Å; M65-I96 HydrophobicContact CE-CD1 3.95Å; M65-F105 HydrophobicContact CB-CE2 4.36Å; M65-F105 HydrophobicContact CB-CZ 4.1Å; M65-F105 HydrophobicContact CE-CE2 3.85Å; M65-F105 HydrophobicContact SD-CE2 3.91Å; M65-Y112 HydrophobicContact SD-CD2 3.97Å; M65-Y112 HydrophobicContact SD-CG 4.17Å
66	V	98.2	Very high	94.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-49.4	174.1	169.3	0	0	0	0	110.7	G62 T63 W68 L69 M70 R80 A83 V84 F105 D107	G62-V66 PolarHBondContact O-N 3.14Å; G62-V66 VanDerWaalsContact O-N 3.09Å; T63-V66 PolarHBondContact O-N 2.94Å; V66-W68 VanDerWaalsContact C-N 3.32Å; V66-W68 PolarHBondContact O-N 3.06Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-M70 HydrophobicContact CG1-CG 4.48Å; V66-M70 HydrophobicContact CG1-SD 4.14Å; V66-M70 WeakPolarHBondContact O-CG 3.36Å; V66-M70 PolarHBondContact O-N 2.88Å; V66-R80 HydrophobicContact CG1-CB 4.08Å; V66-R80 HydrophobicContact CG1-CG 4.12Å; V66-A83 HydrophobicContact CB-CB 4.45Å; V66-A83 HydrophobicContact CG1-CB 3.86Å; V66-A83 HydrophobicContact CG2-CB 4.37Å; V66-V84 HydrophobicContact CG2-CG2 4.3Å; V66-F105 HydrophobicContact CG2-CE1 3.77Å; V66-F105 HydrophobicContact CG2-CZ 4.06Å; V66-D107 HydrophobicContact CG2-CB 4.05Å
67	D	97	Very high	94.9	Very high	83 Å²	83	45.5 Å²	45.5	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-42.4	179.4	-66.7	-19.2	0	0	0	111.9	T63 E64 K71 R80	T63-D67 VanDerWaalsContact O-CG 3.32Å; T63-D67 PolarHBondContact O-N 2.96Å; T63-D67 VanDerWaalsContact O-N 3.12Å; E64-D67 PolarHBondContact O-N 3.32Å; D67-K71 WeakPolarHBondContact O-CB 3.43Å; D67-K71 PolarHBondContact O-N 2.96Å; D67-K71 VanDerWaalsContact O-N 3.1Å; D67-R80 IonicContact OD1-CZ 3.84Å; D67-R80 IonicContact OD1-NH1 3.1Å; D67-R80 PolarHBondContact OD1-NH1 3.42Å; D67-R80 IonicContact OD1-NH2 3.78Å; D67-R80 PolarHBondContact OD1-NH2 3.45Å
68	W	96.4	Very high	95.1	Very high	25 Å²	25	46.6 Å²	46.6	10%	0.095	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.8	-179.6	91.5	0	0	0	111.7	L34 M38 T42 M45 E64 V66 K71 A72 W87 L141	L34-W68 HydrophobicContact CB-CH2 4.35Å; L34-W68 HydrophobicContact CB-CZ3 4.49Å; L34-W68 HydrophobicContact CD2-CZ3 4.32Å; L34-W68 HydrophobicContact CG-CH2 4.12Å; L34-W68 HydrophobicContact CG-CZ3 4.02Å; M38-W68 HydrophobicContact CB-CH2 4.3Å; M38-W68 HydrophobicContact CB-CZ2 3.84Å; M38-W68 HydrophobicContact CE-CD2 3.97Å; M38-W68 HydrophobicContact CE-CE3 3.77Å; M38-W68 HydrophobicContact CE-CH2 4.13Å; M38-W68 HydrophobicContact CE-CZ2 4.31Å; M38-W68 HydrophobicContact CE-CZ3 3.86Å; T42-W68 PolarHBondContact OG1-NE1 3.03Å; M45-W68 HydrophobicContact CE-CB 4.07Å; M45-W68 HydrophobicContact CE-CD2 4.28Å; M45-W68 HydrophobicContact CE-CG 3.9Å; M45-W68 HydrophobicContact SD-CB 3.83Å; M45-W68 HydrophobicContact SD-CG 4.13Å; E64-W68 WeakPolarHBondContact O-CB 3.46Å; E64-W68 PolarHBondContact O-N 3.12Å; V66-W68 VanDerWaalsContact C-N 3.32Å; V66-W68 PolarHBondContact O-N 3.06Å; W68-K71 PolarHBondContact O-N 3.08Å; W68-A72 HydrophobicContact CD2-CB 4.42Å; W68-A72 HydrophobicContact CE3-CB 4.35Å; W68-A72 HydrophobicContact CH2-CB 4.36Å; W68-A72 HydrophobicContact CZ2-CB 4.42Å; W68-A72 HydrophobicContact CZ3-CB 4.33Å; W68-A72 WeakPolarHBondContact O-CB 3.09Å; W68-A72 PolarHBondContact O-N 3.48Å; W68-W87 HydrophobicContact CE3-CH2 4.31Å; W68-W87 AromaticContact CE3-CZ2 3.97Å; W68-W87 HydrophobicContact CE3-CZ2 3.97Å; W68-W87 HydrophobicContact CZ3-CH2 4.24Å; W68-W87 HydrophobicContact CZ3-CZ2 4.25Å; W68-L141 HydrophobicContact CH2-CD1 4.44Å
69	L	96.9	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-45.6	-178.4	178.1	63.2	0	0	0	111.6	L34 M65 V66 K71 A72 S73 V77 A83 V86 W87 I145	L34-L69 HydrophobicContact CD2-CD1 4.42Å; M65-L69 WeakPolarHBondContact O-CB 3.48Å; M65-L69 PolarHBondContact O-N 3.49Å; V66-L69 PolarHBondContact O-N 3.48Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.3Å; L69-A72 PolarHBondContact O-N 2.97Å; L69-A72 VanDerWaalsContact O-N 3.16Å; L69-S73 VanDerWaalsContact O-CB 3.28Å; L69-S73 WeakPolarHBondContact O-CB 3.19Å; L69-S73 PolarHBondContact O-N 3.23Å; L69-V77 HydrophobicContact CG-CG2 4.35Å; L69-A83 HydrophobicContact CD2-CB 3.97Å; L69-V86 HydrophobicContact CD1-CG1 4.28Å; L69-V86 HydrophobicContact CD2-CB 3.59Å; L69-V86 HydrophobicContact CD2-CG1 3.37Å; L69-V86 HydrophobicContact CD2-CG2 4.17Å; L69-V86 HydrophobicContact CG-CG1 4.48Å; L69-W87 HydrophobicContact CB-CZ2 4.06Å; L69-I145 HydrophobicContact CD1-CD1 4.03Å; L69-I145 HydrophobicContact CD1-CG1 4.01Å
70	M	96.9	Very high	95.4	Very high	55 Å²	55	51.6 Å²	51.6	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-45.6	177.7	-71.9	-173	69.1	0	0	110.8	V66 S73 V77 R80 A83	V66-M70 HydrophobicContact CG1-CG 4.48Å; V66-M70 HydrophobicContact CG1-SD 4.14Å; V66-M70 WeakPolarHBondContact O-CG 3.36Å; V66-M70 PolarHBondContact O-N 2.88Å; M70-S73 PolarHBondContact O-N 3.23Å; M70-S73 PolarHBondContact O-OG 3.15Å; M70-V77 HydrophobicContact CG-CG1 4.23Å; M70-R80 HydrophobicContact SD-CB 4.46Å; M70-R80 HydrophobicContact SD-CG 3.71Å; M70-A83 HydrophobicContact CG-CB 4.16Å
71	K	94.6	Very high	95.4	Very high	190 Å²	190	54 Å²	54	83%	0.826	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-39.2	176.1	-174	177.7	-178.9	178.4	0	113	D67 W68 L69 S73	D67-K71 WeakPolarHBondContact O-CB 3.43Å; D67-K71 PolarHBondContact O-N 2.96Å; D67-K71 VanDerWaalsContact O-N 3.1Å; W68-K71 PolarHBondContact O-N 3.08Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.3Å; K71-S73 VanDerWaalsContact C-N 3.31Å
72	A	92.7	Very high	95.4	Very high	27 Å²	27	57.4 Å²	57.4	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-73.2	-22.4	-179.4	0	0	0	0	0	113.4	W68 L69 L141 I145	W68-A72 HydrophobicContact CD2-CB 4.42Å; W68-A72 HydrophobicContact CE3-CB 4.35Å; W68-A72 HydrophobicContact CH2-CB 4.36Å; W68-A72 HydrophobicContact CZ2-CB 4.42Å; W68-A72 HydrophobicContact CZ3-CB 4.33Å; W68-A72 WeakPolarHBondContact O-CB 3.09Å; W68-A72 PolarHBondContact O-N 3.48Å; L69-A72 PolarHBondContact O-N 2.97Å; L69-A72 VanDerWaalsContact O-N 3.16Å; A72-L141 HydrophobicContact CB-CD2 4.25Å; A72-I145 HydrophobicContact CB-CD1 4.34Å
73	S	92.5	Very high	95.4	Very high	10 Å²	10	57.4 Å²	57.4	7%	0.07	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.2	-175.1	75.8	0	0	0	0	115.5	L69 M70 K71 G75 A76 V77	L69-S73 VanDerWaalsContact O-CB 3.28Å; L69-S73 WeakPolarHBondContact O-CB 3.19Å; L69-S73 PolarHBondContact O-N 3.23Å; M70-S73 PolarHBondContact O-N 3.23Å; M70-S73 PolarHBondContact O-OG 3.15Å; K71-S73 VanDerWaalsContact C-N 3.31Å; S73-G75 PolarHBondContact O-N 3.48Å; S73-A76 VanDerWaalsContact O-CB 3.24Å; S73-A76 WeakPolarHBondContact O-CB 3.46Å; S73-A76 PolarHBondContact O-N 3.32Å; S73-V77 PolarHBondContact OG-N 3.18Å; S73-V77 VanDerWaalsContact OG-N 3.17Å
74	D	89.1	Confident	95.4	Very high	162 Å²	162	55.8 Å²	55.8	87%	0.866	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	41.7	-176.6	-159.8	31.4	0	0	0	113.3
75	G	91.4	Very high	95.5	Very high	54 Å²	54	52.9 Å²	52.9	56%	0.557	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-6.2	-179.9	0	0	0	0	0	115.5	S73 V77	S73-G75 PolarHBondContact O-N 3.48Å; G75-V77 VanDerWaalsContact C-N 3.27Å; G75-V77 PolarHBondContact O-N 3.43Å
76	A	91.5	Very high	95.5	Very high	57 Å²	57	52.9 Å²	52.9	47%	0.471	28%	0.282	S	S	.	.	S	Bend	trans	-66.3	-29.1	175.8	0	0	0	0	0	113	S73 I145	S73-A76 VanDerWaalsContact O-CB 3.24Å; S73-A76 WeakPolarHBondContact O-CB 3.46Å; S73-A76 PolarHBondContact O-N 3.32Å; A76-I145 HydrophobicContact CB-CG2 4.27Å
77	V	95.5	Very high	95.5	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.03	28%	0.282	C	S	.	.	S	Bend	trans	-104.6	107.8	171.4	179.3	0	0	0	0	108.1	L69 M70 S73 G75 Q82 A83 I145	L69-V77 HydrophobicContact CG-CG2 4.35Å; M70-V77 HydrophobicContact CG-CG1 4.23Å; S73-V77 PolarHBondContact OG-N 3.18Å; S73-V77 VanDerWaalsContact OG-N 3.17Å; G75-V77 VanDerWaalsContact C-N 3.27Å; G75-V77 PolarHBondContact O-N 3.43Å; V77-Q82 HydrophobicContact CG1-CB 3.91Å; V77-A83 HydrophobicContact CG1-CB 3.81Å; V77-I145 HydrophobicContact CG2-CG2 4Å
78	Q	94.3	Very high	95.5	Very high	152 Å²	152	49.2 Å²	49.2	71%	0.71	26%	0.262	S	S	*	.			trans	-85.5	-27.8	-167.7	-61.3	175.2	-0.4	0	0	113.1
79	N	95.7	Very high	95.6	Very high	68 Å²	68	48.3 Å²	48.3	36%	0.364	26%	0.259	S	S	.	.	S	Bend	trans	-143.5	165.3	-177.9	66.8	57.1	0	0	0	112.4	M81 Q82 A83	N79-M81 PolarHBondContact O-N 3.41Å; N79-M81 WeakPolarHBondContact OD1-CA 3.47Å; N79-M81 WeakPolarHBondContact OD1-CB 3.47Å; N79-M81 PolarHBondContact OD1-N 2.92Å; N79-Q82 PolarHBondContact O-N 3.24Å; N79-Q82 PolarHBondContact OD1-N 2.89Å; N79-A83 PolarHBondContact O-N 2.86Å
80	R	97.2	Very high	95.6	Very high	91 Å²	91	48.3 Å²	48.3	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-29.9	-177.2	-59.4	-175.4	72.5	79.9	2.7	112.6	V66 D67 M70 A83 V84 D107	V66-R80 HydrophobicContact CG1-CB 4.08Å; V66-R80 HydrophobicContact CG1-CG 4.12Å; D67-R80 IonicContact OD1-CZ 3.84Å; D67-R80 IonicContact OD1-NH1 3.1Å; D67-R80 PolarHBondContact OD1-NH1 3.42Å; D67-R80 IonicContact OD1-NH2 3.78Å; D67-R80 PolarHBondContact OD1-NH2 3.45Å; M70-R80 HydrophobicContact SD-CB 4.46Å; M70-R80 HydrophobicContact SD-CG 3.71Å; R80-A83 WeakPolarHBondContact O-CB 3.24Å; R80-A83 PolarHBondContact O-N 3.3Å; R80-V84 WeakPolarHBondContact O-CG2 3.31Å; R80-V84 PolarHBondContact O-N 2.97Å; R80-D107 IonicContact CZ-OD1 3.06Å; R80-D107 IonicContact CZ-OD2 3.75Å; R80-D107 IonicContact NE-OD1 4Å; R80-D107 IonicContact NE-OD2 3.94Å; R80-D107 PolarHBondContact NE-OD2 3.28Å; R80-D107 VanDerWaalsContact NH2-CG 3.27Å; R80-D107 IonicContact NH2-OD1 2.68Å; R80-D107 PolarHBondContact NH2-OD1 3.32Å; R80-D107 IonicContact NH2-OD2 2.77Å; R80-D107 PolarHBondContact NH2-OD2 3.04Å
81	M	96.2	Very high	95.6	Very high	50 Å²	50	47.3 Å²	47.3	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-40.2	179.5	-162.6	70.7	75.3	0	0	111.7	N79 A83 V84 G85 L156 E171 E172 V175	N79-M81 PolarHBondContact O-N 3.41Å; N79-M81 WeakPolarHBondContact OD1-CA 3.47Å; N79-M81 WeakPolarHBondContact OD1-CB 3.47Å; N79-M81 PolarHBondContact OD1-N 2.92Å; M81-A83 VanDerWaalsContact C-N 3.29Å; M81-A83 PolarHBondContact O-N 3.31Å; M81-V84 WeakPolarHBondContact O-CB 3.37Å; M81-V84 PolarHBondContact O-N 3.02Å; M81-G85 PolarHBondContact O-N 2.64Å; M81-L156 HydrophobicContact CG-CD1 4.24Å; M81-L156 HydrophobicContact CG-CD2 3.56Å; M81-L156 HydrophobicContact CG-CG 4.49Å; M81-L156 HydrophobicContact SD-CD1 4.02Å; M81-L156 HydrophobicContact SD-CD2 4.4Å; M81-E171 HydrophobicContact CE-CB 4.27Å; M81-E172 HydrophobicContact CE-CG 4.05Å; M81-V175 HydrophobicContact CG-CG2 4.33Å
82	Q	96.6	Very high	95.6	Very high	72 Å²	72	41.1 Å²	41.1	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-40.6	170.9	-72.5	175.3	-4.5	0	0	111.1	V77 N79 V84 G85 V86	V77-Q82 HydrophobicContact CG1-CB 3.91Å; N79-Q82 PolarHBondContact O-N 3.24Å; N79-Q82 PolarHBondContact OD1-N 2.89Å; Q82-V84 VanDerWaalsContact C-N 3.35Å; Q82-V84 PolarHBondContact O-N 3.48Å; Q82-G85 PolarHBondContact O-N 2.9Å; Q82-V86 PolarHBondContact O-N 2.85Å
83	A	98.1	Very high	95.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-42.1	174.4	0	0	0	0	0	112	V66 L69 M70 V77 N79 R80 M81 G85 V86 W87	V66-A83 HydrophobicContact CB-CB 4.45Å; V66-A83 HydrophobicContact CG1-CB 3.86Å; V66-A83 HydrophobicContact CG2-CB 4.37Å; L69-A83 HydrophobicContact CD2-CB 3.97Å; M70-A83 HydrophobicContact CG-CB 4.16Å; V77-A83 HydrophobicContact CG1-CB 3.81Å; N79-A83 PolarHBondContact O-N 2.86Å; R80-A83 WeakPolarHBondContact O-CB 3.24Å; R80-A83 PolarHBondContact O-N 3.3Å; M81-A83 VanDerWaalsContact C-N 3.29Å; M81-A83 PolarHBondContact O-N 3.31Å; A83-G85 VanDerWaalsContact C-N 3.33Å; A83-G85 PolarHBondContact O-N 2.92Å; A83-V86 PolarHBondContact O-N 3.44Å; A83-W87 PolarHBondContact O-N 3.34Å; A83-W87 VanDerWaalsContact O-N 3.09Å
84	V	98.4	Very high	95.6	Very high	8 Å²	8	45 Å²	45	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-45	173	166.6	0	0	0	0	110.9	V66 R80 M81 Q82 V86 W87 Q88 F105 D107 L156 M159	V66-V84 HydrophobicContact CG2-CG2 4.3Å; R80-V84 WeakPolarHBondContact O-CG2 3.31Å; R80-V84 PolarHBondContact O-N 2.97Å; M81-V84 WeakPolarHBondContact O-CB 3.37Å; M81-V84 PolarHBondContact O-N 3.02Å; Q82-V84 VanDerWaalsContact C-N 3.35Å; Q82-V84 PolarHBondContact O-N 3.48Å; V84-V86 PolarHBondContact O-N 3.44Å; V84-W87 PolarHBondContact O-N 2.98Å; V84-Q88 VanDerWaalsContact O-CB 3.28Å; V84-Q88 WeakPolarHBondContact O-CB 3.49Å; V84-Q88 PolarHBondContact O-N 2.92Å; V84-F105 HydrophobicContact CB-CD1 4.26Å; V84-F105 HydrophobicContact CG1-CD1 4.12Å; V84-F105 HydrophobicContact CG2-CD1 4.18Å; V84-F105 HydrophobicContact CG2-CE1 4.11Å; V84-D107 HydrophobicContact CG2-CB 3.73Å; V84-L156 HydrophobicContact CG1-CD1 3.97Å; V84-M159 HydrophobicContact CG1-CE 3.81Å; V84-M159 HydrophobicContact CG1-SD 4.37Å
85	G	97.9	Very high	95.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-45.9	175.8	0	0	0	0	0	112.9	M81 Q82 A83 W87 Q88 V89	M81-G85 PolarHBondContact O-N 2.64Å; Q82-G85 PolarHBondContact O-N 2.9Å; A83-G85 VanDerWaalsContact C-N 3.33Å; A83-G85 PolarHBondContact O-N 2.92Å; G85-W87 PolarHBondContact O-N 3.42Å; G85-Q88 WeakPolarHBondContact O-CB 3.31Å; G85-Q88 PolarHBondContact O-N 3.29Å; G85-V89 WeakPolarHBondContact O-CG2 3.28Å; G85-V89 PolarHBondContact O-N 2.99Å
86	V	97.8	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-46.7	176.3	164.6	0	0	0	0	111.9	L69 Q82 A83 V84 Q88 V89 L90 L148	L69-V86 HydrophobicContact CD1-CG1 4.28Å; L69-V86 HydrophobicContact CD2-CB 3.59Å; L69-V86 HydrophobicContact CD2-CG1 3.37Å; L69-V86 HydrophobicContact CD2-CG2 4.17Å; L69-V86 HydrophobicContact CG-CG1 4.48Å; Q82-V86 PolarHBondContact O-N 2.85Å; A83-V86 PolarHBondContact O-N 3.44Å; V84-V86 PolarHBondContact O-N 3.44Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-V89 WeakPolarHBondContact O-CB 3.45Å; V86-V89 PolarHBondContact O-N 3.25Å; V86-L90 PolarHBondContact O-N 2.96Å; V86-L148 HydrophobicContact CB-CB 4.32Å; V86-L148 HydrophobicContact CG1-CB 3.7Å; V86-L148 HydrophobicContact CG1-CD1 3.85Å; V86-L148 HydrophobicContact CG1-CG 4.36Å; V86-L148 HydrophobicContact CG2-CB 4.08Å
87	W	98.2	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-33.3	178.2	-71.1	119.5	0	0	0	112.5	L34 M38 M65 W68 L69 A83 V84 G85 V89 L90 L91 I96 F105 W114	L34-W87 HydrophobicContact CD2-CH2 4.14Å; L34-W87 HydrophobicContact CD2-CZ3 4.37Å; M38-W87 HydrophobicContact CE-CH2 3.57Å; M38-W87 HydrophobicContact CE-CZ2 4.22Å; M65-W87 HydrophobicContact CB-CD2 4.42Å; M65-W87 HydrophobicContact CB-CZ2 3.98Å; M65-W87 HydrophobicContact CE-CD2 3.74Å; M65-W87 HydrophobicContact CE-CE3 3.4Å; M65-W87 HydrophobicContact CE-CG 4.49Å; M65-W87 HydrophobicContact CE-CH2 3.98Å; M65-W87 HydrophobicContact CE-CZ2 4.23Å; M65-W87 HydrophobicContact CE-CZ3 3.54Å; M65-W87 WeakPolarHBondContact O-CZ2 3.46Å; M65-W87 PolarHBondContact O-NE1 3.45Å; W68-W87 HydrophobicContact CE3-CH2 4.31Å; W68-W87 AromaticContact CE3-CZ2 3.97Å; W68-W87 HydrophobicContact CE3-CZ2 3.97Å; W68-W87 HydrophobicContact CZ3-CH2 4.24Å; W68-W87 HydrophobicContact CZ3-CZ2 4.25Å; L69-W87 HydrophobicContact CB-CZ2 4.06Å; A83-W87 PolarHBondContact O-N 3.34Å; A83-W87 VanDerWaalsContact O-N 3.09Å; V84-W87 PolarHBondContact O-N 2.98Å; G85-W87 PolarHBondContact O-N 3.42Å; W87-V89 VanDerWaalsContact C-N 3.31Å; W87-V89 PolarHBondContact O-N 3.19Å; W87-L90 HydrophobicContact CE3-CD1 3.66Å; W87-L90 HydrophobicContact CZ3-CD1 3.58Å; W87-L90 PolarHBondContact O-N 2.98Å; W87-L91 PolarHBondContact O-N 3.34Å; W87-I96 HydrophobicContact CE3-CD1 3.99Å; W87-F105 HydrophobicContact CB-CB 4.23Å; W87-F105 HydrophobicContact CB-CD1 3.42Å; W87-F105 VanDerWaalsContact CB-CD1 3.42Å; W87-F105 HydrophobicContact CB-CD2 3.54Å; W87-F105 HydrophobicContact CB-CE1 3.52Å; W87-F105 HydrophobicContact CB-CE2 3.63Å; W87-F105 HydrophobicContact CB-CG 3.42Å; W87-F105 VanDerWaalsContact CB-CG 3.42Å; W87-F105 HydrophobicContact CB-CZ 3.61Å; W87-F105 AromaticContact CD1-CE1 3.56Å; W87-F105 AromaticContact CD1-CZ 3.44Å; W87-F105 VanDerWaalsContact CD1-CZ 3.44Å; W87-F105 HydrophobicContact CD2-CE2 4.41Å; W87-F105 HydrophobicContact CD2-CZ 4.38Å; W87-F105 HydrophobicContact CG-CD1 4.19Å; W87-F105 HydrophobicContact CG-CD2 4.23Å; W87-F105 AromaticContact CG-CE1 3.76Å; W87-F105 HydrophobicContact CG-CE1 3.76Å; W87-F105 AromaticContact CG-CE2 3.79Å; W87-F105 HydrophobicContact CG-CE2 3.79Å; W87-F105 HydrophobicContact CG-CG 4.4Å; W87-F105 AromaticContact CG-CZ 3.54Å; W87-F105 HydrophobicContact CG-CZ 3.54Å; W87-W114 HydrophobicContact CH2-CZ2 4.36Å; W87-W114 HydrophobicContact CZ3-CH2 4.02Å; W87-W114 HydrophobicContact CZ3-CZ2 4.01Å
88	Q	98.1	Very high	96.4	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-37.4	174.8	-179.1	59.2	19.3	0	0	111.5	V84 G85 V86 L90 L91 E92 F105 A155 M159	V84-Q88 VanDerWaalsContact O-CB 3.28Å; V84-Q88 WeakPolarHBondContact O-CB 3.49Å; V84-Q88 PolarHBondContact O-N 2.92Å; G85-Q88 WeakPolarHBondContact O-CB 3.31Å; G85-Q88 PolarHBondContact O-N 3.29Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-L90 PolarHBondContact O-N 3Å; Q88-L91 PolarHBondContact O-N 2.92Å; Q88-E92 PolarHBondContact NE2-OE1 3.21Å; Q88-E92 WeakPolarHBondContact O-CG 3.2Å; Q88-E92 PolarHBondContact O-N 2.84Å; Q88-F105 HydrophobicContact CB-CB 4.33Å; Q88-A155 HydrophobicContact CB-CB 4.31Å; Q88-A155 HydrophobicContact CG-CB 3.96Å; Q88-M159 HydrophobicContact CB-SD 4.44Å; Q88-M159 HydrophobicContact CG-CB 4.13Å; Q88-M159 HydrophobicContact CG-CG 4.49Å; Q88-M159 HydrophobicContact CG-SD 4.02Å
89	V	97.4	Very high	96.4	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-51.4	171.3	174.8	0	0	0	0	110.5	G85 V86 W87 L91 E92 E93 L148 L151 A155	G85-V89 WeakPolarHBondContact O-CG2 3.28Å; G85-V89 PolarHBondContact O-N 2.99Å; V86-V89 WeakPolarHBondContact O-CB 3.45Å; V86-V89 PolarHBondContact O-N 3.25Å; W87-V89 VanDerWaalsContact C-N 3.31Å; W87-V89 PolarHBondContact O-N 3.19Å; V89-L91 PolarHBondContact O-N 2.86Å; V89-E92 PolarHBondContact O-N 3.31Å; V89-E93 HydrophobicContact CG1-CG 4.33Å; V89-E93 VanDerWaalsContact O-CG 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.26Å; V89-E93 PolarHBondContact O-N 3.07Å; V89-L148 HydrophobicContact CB-CD2 4.29Å; V89-L148 HydrophobicContact CG1-CD2 3.78Å; V89-L151 HydrophobicContact CG1-CB 4.04Å; V89-L151 HydrophobicContact CG1-CD1 4.06Å; V89-L151 HydrophobicContact CG2-CB 3.67Å; V89-L151 WeakPolarHBondContact CG2-O 3.26Å; V89-A155 HydrophobicContact CB-CB 4.46Å; V89-A155 HydrophobicContact CG2-CB 3.56Å
90	L	97.6	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-29.6	-179.1	-58.7	-176.5	0	0	0	112.8	L34 V86 W87 Q88 G94 L95 I96 W114 L148	L34-L90 HydrophobicContact CD2-CD1 4.07Å; V86-L90 PolarHBondContact O-N 2.96Å; W87-L90 HydrophobicContact CE3-CD1 3.66Å; W87-L90 HydrophobicContact CZ3-CD1 3.58Å; W87-L90 PolarHBondContact O-N 2.98Å; Q88-L90 PolarHBondContact O-N 3Å; L90-G94 PolarHBondContact O-N 3.06Å; L90-L95 HydrophobicContact CB-CB 4.45Å; L90-L95 HydrophobicContact CD2-CD1 3.83Å; L90-L95 WeakPolarHBondContact O-CB 3.49Å; L90-L95 PolarHBondContact O-N 3.36Å; L90-I96 HydrophobicContact CB-CD1 4.29Å; L90-I96 HydrophobicContact CB-CG1 4Å; L90-I96 PolarHBondContact O-N 2.98Å; L90-W114 HydrophobicContact CD1-CH2 3.92Å; L90-W114 HydrophobicContact CD1-CZ3 4.23Å; L90-L148 HydrophobicContact CD1-CD1 4.35Å; L90-L148 HydrophobicContact CD2-CD1 3.96Å; L90-L148 HydrophobicContact CD2-CD2 3.59Å; L90-L148 HydrophobicContact CD2-CG 4.45Å; L90-L148 HydrophobicContact CG-CD1 4.33Å; L90-L148 HydrophobicContact CG-CD2 4.29Å
91	L	97.4	Very high	96	Very high	35 Å²	35	30.1 Å²	30.1	18%	0.183	18%	0.177	C	C	.	.	H	α-helix	trans	-70.9	-43.9	175.7	-173.5	149.4	0	0	0	111.7	W87 Q88 V89 G94 I96 F105 Y112	W87-L91 PolarHBondContact O-N 3.34Å; Q88-L91 PolarHBondContact O-N 2.92Å; V89-L91 PolarHBondContact O-N 2.86Å; L91-G94 PolarHBondContact O-N 2.9Å; L91-G94 VanDerWaalsContact O-N 3.07Å; L91-I96 WeakPolarHBondContact CA-O 3.2Å; L91-I96 HydrophobicContact CB-CD1 4.3Å; L91-I96 HydrophobicContact CB-CG1 3.91Å; L91-F105 HydrophobicContact CD1-CB 4.2Å; L91-Y112 HydrophobicContact CD1-CD1 4.36Å; L91-Y112 HydrophobicContact CD1-CE1 4.1Å
92	E	93.8	Very high	95.8	Very high	59 Å²	59	34.2 Å²	34.2	28%	0.276	20%	0.195	S	C	.	.	H	α-helix	trans	-70	-32.6	179.4	-69.5	-178.8	167.1	0	0	112.9	Q88 V89 G94 R158	Q88-E92 PolarHBondContact NE2-OE1 3.21Å; Q88-E92 WeakPolarHBondContact O-CG 3.2Å; Q88-E92 PolarHBondContact O-N 2.84Å; V89-E92 PolarHBondContact O-N 3.31Å; E92-G94 PolarHBondContact O-N 2.85Å; E92-R158 IonicContact OE1-CZ 3.94Å; E92-R158 IonicContact OE1-NH1 3.06Å; E92-R158 PolarHBondContact OE1-NH1 3.45Å; E92-R158 IonicContact OE2-CZ 3.11Å; E92-R158 IonicContact OE2-NH1 2.69Å; E92-R158 PolarHBondContact OE2-NH1 3.01Å; E92-R158 IonicContact OE2-NH2 2.72Å; E92-R158 PolarHBondContact OE2-NH2 3.25Å
93	E	92.5	Very high	95.7	Very high	72 Å²	72	36 Å²	36	34%	0.336	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-1.5	170.7	-64.3	-62.6	144.6	0	0	112.8	E24 V89 L95	E24-E93 WeakPolarHBondContact CA-OE2 3.47Å; V89-E93 HydrophobicContact CG1-CG 4.33Å; V89-E93 VanDerWaalsContact O-CG 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.26Å; V89-E93 PolarHBondContact O-N 3.07Å; E93-L95 VanDerWaalsContact C-N 3.25Å; E93-L95 HydrophobicContact CB-CD1 4.29Å; E93-L95 HydrophobicContact CB-CG 4.16Å; E93-L95 PolarHBondContact O-N 3.39Å
94	G	93.6	Very high	95.7	Very high	46 Å²	46	38.2 Å²	38.2	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	16.4	177.9	0	0	0	0	0	114.8	L90 L91 E92 A115	L90-G94 PolarHBondContact O-N 3.06Å; L91-G94 PolarHBondContact O-N 2.9Å; L91-G94 VanDerWaalsContact O-N 3.07Å; E92-G94 PolarHBondContact O-N 2.85Å; G94-A115 WeakPolarHBondContact O-CB 3.35Å
95	L	94.6	Very high	95.7	Very high	41 Å²	41	37.9 Å²	37.9	22%	0.215	21%	0.212	C	C	.	.	S	Bend	trans	-80.6	-30.2	178	-58.8	174.8	0	0	0	111.8	G27 L90 E93 W114 A115	G27-L95 WeakPolarHBondContact O-CD1 3.39Å; L90-L95 HydrophobicContact CB-CB 4.45Å; L90-L95 HydrophobicContact CD2-CD1 3.83Å; L90-L95 WeakPolarHBondContact O-CB 3.49Å; L90-L95 PolarHBondContact O-N 3.36Å; E93-L95 VanDerWaalsContact C-N 3.25Å; E93-L95 HydrophobicContact CB-CD1 4.29Å; E93-L95 HydrophobicContact CB-CG 4.16Å; E93-L95 PolarHBondContact O-N 3.39Å; L95-W114 HydrophobicContact CB-CZ3 4.47Å; L95-W114 WeakPolarHBondContact O-CA 3.33Å; L95-A115 PolarHBondContact O-N 2.9Å
96	I	96.4	Very high	95.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158.8	166.6	65.7	169.1	0	0	0	110.2	M60 M65 W87 L90 L91 F105 R113 W114	M60-I96 HydrophobicContact CE-CG2 4.49Å; M65-I96 HydrophobicContact CE-CD1 3.95Å; W87-I96 HydrophobicContact CE3-CD1 3.99Å; L90-I96 HydrophobicContact CB-CD1 4.29Å; L90-I96 HydrophobicContact CB-CG1 4Å; L90-I96 PolarHBondContact O-N 2.98Å; L91-I96 WeakPolarHBondContact CA-O 3.2Å; L91-I96 HydrophobicContact CB-CD1 4.3Å; L91-I96 HydrophobicContact CB-CG1 3.91Å; I96-F105 HydrophobicContact CD1-CD2 4.2Å; I96-R113 CarbonylContact C-O 3.5Å; I96-R113 WeakPolarHBondContact CA-O 3.3Å; I96-W114 HydrophobicContact CG2-CD2 3.66Å; I96-W114 HydrophobicContact CG2-CE3 3.35Å; I96-W114 HydrophobicContact CG2-CG 4.33Å; I96-W114 HydrophobicContact CG2-CH2 4.08Å; I96-W114 HydrophobicContact CG2-CZ2 4.34Å; I96-W114 HydrophobicContact CG2-CZ3 3.59Å
97	S	96.5	Very high	95.6	Very high	33 Å²	33	41.7 Å²	41.7	23%	0.231	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.7	172.2	58.6	0	0	0	0	110.5	Y112 R113	S97-Y112 CarbonylContact O-C 3.43Å; S97-Y112 WeakPolarHBondContact O-CA 3.36Å; S97-R113 PolarHBondContact N-O 3.11Å; S97-R113 PolarHBondContact O-N 2.97Å
98	H	96.6	Very high	95.6	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.5	159.6	-179.7	-98.9	0	0	0	108.3	T100 C101 Y103 F111 Y112	H98-T100 PolarHBondContact CE1-OG1 2.86Å; H98-T100 PolarHBondContact ND1-N 3.09Å; H98-T100 VanDerWaalsContact ND1-N 3.19Å; H98-T100 PolarHBondContact ND1-OG1 2.96Å; H98-T100 PolarHBondContact O-N 2.85Å; H98-C101 PolarHBondContact O-N 2.79Å; H98-Y103 AromaticContact CE1-CD2 3.5Å; H98-Y103 VanDerWaalsContact CE1-CD2 3.5Å; H98-Y103 WeakPolarHBondContact CE1-CD2 3.3Å; H98-Y103 AromaticContact ND1-CD2 3.68Å; H98-Y103 AromaticContact NE2-CD2 3.78Å; H98-F111 PolarHBondContact CD2-O 3.07Å; H98-Y112 HydrophobicContact CB-CD1 4.13Å; H98-Y112 HydrophobicContact CB-CE1 3.97Å
99	V	93.7	Very high	95.5	Very high	33 Å²	33	53.9 Å²	53.9	20%	0.2	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.6	-172.8	-67.2	0	0	0	0	115.1	Y56 C59 F111 R113	Y56-V99 HydrophobicContact CD1-CB 3.78Å; Y56-V99 HydrophobicContact CD1-CG1 4.16Å; Y56-V99 HydrophobicContact CD1-CG2 3.54Å; Y56-V99 HydrophobicContact CE1-CB 4.1Å; Y56-V99 HydrophobicContact CE1-CG2 3.53Å; Y56-V99 HydrophobicContact CG-CG2 4.4Å; C59-V99 HydrophobicContact CB-CG1 4.21Å; V99-F111 HydrophobicContact CB-CB 4.43Å; V99-F111 HydrophobicContact CG1-CB 3.82Å; V99-F111 WeakPolarHBondContact CG1-O 3.44Å; V99-F111 HydrophobicContact CG2-CB 3.73Å; V99-F111 PolarHBondContact N-O 2.98Å; V99-R113 HydrophobicContact CG1-CB 4.4Å
100	T	91.3	Very high	95.5	Very high	56 Å²	56	55.4 Å²	55.4	34%	0.344	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-2.1	172.3	69.1	0	0	0	0	113.4	H98 E102	H98-T100 PolarHBondContact CE1-OG1 2.86Å; H98-T100 PolarHBondContact ND1-N 3.09Å; H98-T100 VanDerWaalsContact ND1-N 3.19Å; H98-T100 PolarHBondContact ND1-OG1 2.96Å; H98-T100 PolarHBondContact O-N 2.85Å; T100-E102 WeakPolarHBondContact CB-OE2 3.46Å; T100-E102 PolarHBondContact O-N 2.8Å; T100-E102 VanDerWaalsContact O-N 3.15Å; T100-E102 WeakPolarHBondContact OG1-CB 3.29Å; T100-E102 WeakPolarHBondContact OG1-CG 3.5Å; T100-E102 PolarHBondContact OG1-N 2.87Å; T100-E102 PolarHBondContact OG1-OE2 2.97Å
101	C	92.3	Very high	95.5	Very high	102 Å²	102	56 Å²	56	69%	0.689	29%	0.292	S	S	*	.	S	Bend	trans	58.8	16	-173.8	-57.6	0	0	0	0	115.5	H98	H98-C101 PolarHBondContact O-N 2.79Å
102	E	92.4	Very high	95.4	Very high	136 Å²	136	54.3 Å²	54.3	64%	0.636	28%	0.284	S	S	*	.			trans	-87.8	-21.8	-177.1	-69.4	165.8	156.6	0	0	114.4	T100	T100-E102 WeakPolarHBondContact CB-OE2 3.46Å; T100-E102 PolarHBondContact O-N 2.8Å; T100-E102 VanDerWaalsContact O-N 3.15Å; T100-E102 WeakPolarHBondContact OG1-CB 3.29Å; T100-E102 WeakPolarHBondContact OG1-CG 3.5Å; T100-E102 PolarHBondContact OG1-N 2.87Å; T100-E102 PolarHBondContact OG1-OE2 2.97Å
103	Y	95.3	Very high	95.5	Very high	111 Å²	111	53.8 Å²	53.8	44%	0.435	28%	0.279	S	S	.	.			trans	-120.9	145.2	-169	-63.5	-79.7	0	0	0	112.5	H98 L106 L110	H98-Y103 AromaticContact CE1-CD2 3.5Å; H98-Y103 VanDerWaalsContact CE1-CD2 3.5Å; H98-Y103 WeakPolarHBondContact CE1-CD2 3.3Å; H98-Y103 AromaticContact ND1-CD2 3.68Å; H98-Y103 AromaticContact NE2-CD2 3.78Å; Y103-L106 HydrophobicContact CD1-CD1 4.16Å; Y103-L110 HydrophobicContact CD2-CD1 4.41Å; Y103-L110 HydrophobicContact CG-CD1 4.19Å
104	P	97.1	Very high	95.6	Very high	46 Å²	46	50.6 Å²	50.6	30%	0.299	26%	0.264	S	S	.	.			trans	-66.5	178.9	159.2	34.8	-36.4	0	0	0	109.7	L106 Y112 M159	P104-L106 HydrophobicContact CG-CD2 4.23Å; P104-L106 HydrophobicContact CG-CG 4.36Å; P104-L106 PolarHBondContact O-N 3.08Å; P104-Y112 PolarHBondContact O-OH 3.49Å; P104-M159 HydrophobicContact CB-CG 3.73Å; P104-M159 HydrophobicContact CB-SD 3.81Å; P104-M159 HydrophobicContact CG-CG 4.05Å; P104-M159 HydrophobicContact CG-SD 4.22Å
105	F	98.4	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.			trans	-71.5	122.5	175.7	-171.1	-91.1	0	0	0	110.2	M65 V66 V84 W87 Q88 L91 I96 Y112 M159	M65-F105 HydrophobicContact CB-CE2 4.36Å; M65-F105 HydrophobicContact CB-CZ 4.1Å; M65-F105 HydrophobicContact CE-CE2 3.85Å; M65-F105 HydrophobicContact SD-CE2 3.91Å; V66-F105 HydrophobicContact CG2-CE1 3.77Å; V66-F105 HydrophobicContact CG2-CZ 4.06Å; V84-F105 HydrophobicContact CB-CD1 4.26Å; V84-F105 HydrophobicContact CG1-CD1 4.12Å; V84-F105 HydrophobicContact CG2-CD1 4.18Å; V84-F105 HydrophobicContact CG2-CE1 4.11Å; W87-F105 HydrophobicContact CB-CB 4.23Å; W87-F105 HydrophobicContact CB-CD1 3.42Å; W87-F105 VanDerWaalsContact CB-CD1 3.42Å; W87-F105 HydrophobicContact CB-CD2 3.54Å; W87-F105 HydrophobicContact CB-CE1 3.52Å; W87-F105 HydrophobicContact CB-CE2 3.63Å; W87-F105 HydrophobicContact CB-CG 3.42Å; W87-F105 VanDerWaalsContact CB-CG 3.42Å; W87-F105 HydrophobicContact CB-CZ 3.61Å; W87-F105 AromaticContact CD1-CE1 3.56Å; W87-F105 AromaticContact CD1-CZ 3.44Å; W87-F105 VanDerWaalsContact CD1-CZ 3.44Å; W87-F105 HydrophobicContact CD2-CE2 4.41Å; W87-F105 HydrophobicContact CD2-CZ 4.38Å; W87-F105 HydrophobicContact CG-CD1 4.19Å; W87-F105 HydrophobicContact CG-CD2 4.23Å; W87-F105 AromaticContact CG-CE1 3.76Å; W87-F105 HydrophobicContact CG-CE1 3.76Å; W87-F105 AromaticContact CG-CE2 3.79Å; W87-F105 HydrophobicContact CG-CE2 3.79Å; W87-F105 HydrophobicContact CG-CG 4.4Å; W87-F105 AromaticContact CG-CZ 3.54Å; W87-F105 HydrophobicContact CG-CZ 3.54Å; Q88-F105 HydrophobicContact CB-CB 4.33Å; L91-F105 HydrophobicContact CD1-CB 4.2Å; I96-F105 HydrophobicContact CD1-CD2 4.2Å; F105-Y112 HydrophobicContact CB-CE1 4.48Å; F105-Y112 AromaticContact CD2-CD1 3.98Å; F105-Y112 HydrophobicContact CD2-CD1 3.98Å; F105-Y112 HydrophobicContact CD2-CD2 4.22Å; F105-Y112 AromaticContact CD2-CE1 3.7Å; F105-Y112 HydrophobicContact CD2-CE1 3.7Å; F105-Y112 AromaticContact CD2-CE2 3.96Å; F105-Y112 HydrophobicContact CD2-CE2 3.96Å; F105-Y112 HydrophobicContact CD2-CG 4.24Å; F105-Y112 AromaticContact CD2-CZ 3.7Å; F105-Y112 HydrophobicContact CE2-CD1 4.47Å; F105-Y112 AromaticContact CE2-CD2 3.96Å; F105-Y112 HydrophobicContact CE2-CD2 3.96Å; F105-Y112 HydrophobicContact CE2-CE1 4.4Å; F105-Y112 AromaticContact CE2-CE2 3.87Å; F105-Y112 HydrophobicContact CE2-CE2 3.87Å; F105-Y112 HydrophobicContact CE2-CG 4.27Å; F105-Y112 HydrophobicContact CG-CE1 4.44Å; F105-M159 VanDerWaalsContact O-SD 3.39Å
106	L	97.6	Very high	95	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	27%	0.267	C	S	.	.			trans	-127.5	134.7	178.7	-59.3	174.9	0	0	0	109.4	Y103 P104 K108 L110 Y112	Y103-L106 HydrophobicContact CD1-CD1 4.16Å; P104-L106 HydrophobicContact CG-CD2 4.23Å; P104-L106 HydrophobicContact CG-CG 4.36Å; P104-L106 PolarHBondContact O-N 3.08Å; L106-K108 HydrophobicContact CB-CB 4.38Å; L106-K108 HydrophobicContact CB-CD 4.35Å; L106-K108 HydrophobicContact CB-CG 4.23Å; L106-K108 HydrophobicContact CD1-CD 4.39Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-L110 HydrophobicContact CB-CD1 4.11Å; L106-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 HydrophobicContact CG-CD1 4.47Å; L106-Y112 PolarHBondContact N-OH 2.87Å; L106-Y112 PolarHBondContact O-OH 2.8Å
107	D	97.8	Very high	94.4	Very high	48 Å²	48	52.5 Å²	52.5	26%	0.257	27%	0.269	S	S	.	.	S	Bend	trans	-71.5	68	169.6	-176.1	21.3	0	0	0	111	T63 V66 R80 V84	T63-D107 WeakPolarHBondContact CA-OD1 3.43Å; T63-D107 WeakPolarHBondContact CG2-OD1 3.48Å; V66-D107 HydrophobicContact CG2-CB 4.05Å; R80-D107 IonicContact CZ-OD1 3.06Å; R80-D107 IonicContact CZ-OD2 3.75Å; R80-D107 IonicContact NE-OD1 4Å; R80-D107 IonicContact NE-OD2 3.94Å; R80-D107 PolarHBondContact NE-OD2 3.28Å; R80-D107 VanDerWaalsContact NH2-CG 3.27Å; R80-D107 IonicContact NH2-OD1 2.68Å; R80-D107 PolarHBondContact NH2-OD1 3.32Å; R80-D107 IonicContact NH2-OD2 2.77Å; R80-D107 PolarHBondContact NH2-OD2 3.04Å; V84-D107 HydrophobicContact CG2-CB 3.73Å
108	K	97.6	Very high	93.4	Very high	126 Å²	126	57.2 Å²	57.2	55%	0.548	29%	0.287	S	S	.	.	S	Bend	trans	-140.9	169.3	-177.3	-68.4	-173.6	179.4	178.7	0	109.5	G62 T63 L106 L110	G62-K108 WeakPolarHBondContact CA-O 3.18Å; T63-K108 PolarHBondContact N-O 2.92Å; L106-K108 HydrophobicContact CB-CB 4.38Å; L106-K108 HydrophobicContact CB-CD 4.35Å; L106-K108 HydrophobicContact CB-CG 4.23Å; L106-K108 HydrophobicContact CD1-CD 4.39Å; L106-K108 PolarHBondContact O-N 2.89Å; K108-L110 HydrophobicContact CB-CD1 4.37Å; K108-L110 HydrophobicContact CB-CG 4.13Å; K108-L110 PolarHBondContact O-N 3.09Å
109	Y	96.4	Very high	91.9	Very high	136 Å²	136	66.4 Å²	66.4	53%	0.533	32%	0.321	S	S	.	.	S	Bend	trans	-72.8	66.2	170.8	-164.1	-96.1	0	0	0	110.7	V61 F111	V61-Y109 HydrophobicContact CG1-CD2 3.51Å; V61-Y109 HydrophobicContact CG1-CE2 3.9Å; V61-Y109 HydrophobicContact CG1-CG 4.15Å; V61-Y109 HydrophobicContact CG2-CE2 4.15Å; Y109-F111 HydrophobicContact CD1-CE1 4.35Å; Y109-F111 AromaticContact CE1-CE1 3.77Å; Y109-F111 HydrophobicContact CE1-CE1 3.77Å; Y109-F111 HydrophobicContact CE1-CZ 4Å; Y109-F111 AromaticContact CZ-CE1 3.95Å
110	L	96.8	Very high	90	Very high	38 Å²	38	70.3 Å²	70.3	20%	0.199	35%	0.348	C	S	.	.			trans	-118.8	153.2	175.2	-67.2	179.2	0	0	0	109.2	V61 G62 Y103 L106 K108 Y112	V61-L110 CarbonylContact C-O 3.56Å; V61-L110 WeakPolarHBondContact CA-O 3.36Å; G62-L110 PolarHBondContact N-O 2.68Å; Y103-L110 HydrophobicContact CD2-CD1 4.41Å; Y103-L110 HydrophobicContact CG-CD1 4.19Å; L106-L110 HydrophobicContact CB-CD1 4.11Å; L106-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 HydrophobicContact CG-CD1 4.47Å; K108-L110 HydrophobicContact CB-CD1 4.37Å; K108-L110 HydrophobicContact CB-CG 4.13Å; K108-L110 PolarHBondContact O-N 3.09Å; L110-Y112 HydrophobicContact CB-CE2 3.89Å
111	F	96.7	Very high	88.1	Confident	11 Å²	11	71.3 Å²	71.3	5%	0.048	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129	-175.4	-59.9	-21.6	0	0	0	111.3	R49 F51 Y56 C59 M60 V61 H98 V99 Y109	R49-F111 HydrophobicContact CB-CE2 4.13Å; R49-F111 HydrophobicContact CB-CZ 4.01Å; F51-F111 HydrophobicContact CB-CE2 3.54Å; F51-F111 HydrophobicContact CB-CZ 3.95Å; F51-F111 HydrophobicContact CG-CE2 4.25Å; F51-F111 HydrophobicContact CG-CZ 4.43Å; Y56-F111 HydrophobicContact CD1-CD2 4.47Å; Y56-F111 AromaticContact CD2-CD2 3.55Å; Y56-F111 HydrophobicContact CD2-CD2 3.55Å; Y56-F111 AromaticContact CD2-CE2 3.63Å; Y56-F111 HydrophobicContact CD2-CE2 3.63Å; Y56-F111 HydrophobicContact CE2-CD2 4.1Å; Y56-F111 HydrophobicContact CE2-CE2 4.14Å; Y56-F111 AromaticContact CG-CD2 3.75Å; Y56-F111 HydrophobicContact CG-CD2 3.75Å; Y56-F111 HydrophobicContact CG-CE2 4.25Å; C59-F111 HydrophobicContact CB-CB 4.17Å; M60-F111 CarbonylContact O-C 3.57Å; M60-F111 VanDerWaalsContact O-CA 3.29Å; M60-F111 WeakPolarHBondContact O-CA 3.36Å; V61-F111 HydrophobicContact CG2-CD1 4.2Å; V61-F111 HydrophobicContact CG2-CE1 4.14Å; H98-F111 PolarHBondContact CD2-O 3.07Å; V99-F111 HydrophobicContact CB-CB 4.43Å; V99-F111 HydrophobicContact CG1-CB 3.82Å; V99-F111 WeakPolarHBondContact CG1-O 3.44Å; V99-F111 HydrophobicContact CG2-CB 3.73Å; V99-F111 PolarHBondContact N-O 2.98Å; Y109-F111 HydrophobicContact CD1-CE1 4.35Å; Y109-F111 AromaticContact CE1-CE1 3.77Å; Y109-F111 HydrophobicContact CE1-CE1 3.77Å; Y109-F111 HydrophobicContact CE1-CZ 4Å; Y109-F111 AromaticContact CZ-CE1 3.95Å
112	Y	97.3	Very high	86	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	158.8	175.2	-58.7	-90.6	0	0	0	110.4	C59 M60 M65 L91 S97 H98 P104 F105 L106 L110	C59-Y112 CarbonylContact C-O 3.51Å; C59-Y112 WeakPolarHBondContact CA-O 3.48Å; C59-Y112 WeakPolarHBondContact CB-O 3.5Å; M60-Y112 PolarHBondContact N-O 3.48Å; M60-Y112 PolarHBondContact O-N 3.33Å; M65-Y112 HydrophobicContact SD-CD2 3.97Å; M65-Y112 HydrophobicContact SD-CG 4.17Å; L91-Y112 HydrophobicContact CD1-CD1 4.36Å; L91-Y112 HydrophobicContact CD1-CE1 4.1Å; S97-Y112 CarbonylContact O-C 3.43Å; S97-Y112 WeakPolarHBondContact O-CA 3.36Å; H98-Y112 HydrophobicContact CB-CD1 4.13Å; H98-Y112 HydrophobicContact CB-CE1 3.97Å; P104-Y112 PolarHBondContact O-OH 3.49Å; F105-Y112 HydrophobicContact CB-CE1 4.48Å; F105-Y112 AromaticContact CD2-CD1 3.98Å; F105-Y112 HydrophobicContact CD2-CD1 3.98Å; F105-Y112 HydrophobicContact CD2-CD2 4.22Å; F105-Y112 AromaticContact CD2-CE1 3.7Å; F105-Y112 HydrophobicContact CD2-CE1 3.7Å; F105-Y112 AromaticContact CD2-CE2 3.96Å; F105-Y112 HydrophobicContact CD2-CE2 3.96Å; F105-Y112 HydrophobicContact CD2-CG 4.24Å; F105-Y112 AromaticContact CD2-CZ 3.7Å; F105-Y112 HydrophobicContact CE2-CD1 4.47Å; F105-Y112 AromaticContact CE2-CD2 3.96Å; F105-Y112 HydrophobicContact CE2-CD2 3.96Å; F105-Y112 HydrophobicContact CE2-CE1 4.4Å; F105-Y112 AromaticContact CE2-CE2 3.87Å; F105-Y112 HydrophobicContact CE2-CE2 3.87Å; F105-Y112 HydrophobicContact CE2-CG 4.27Å; F105-Y112 HydrophobicContact CG-CE1 4.44Å; L106-Y112 PolarHBondContact N-OH 2.87Å; L106-Y112 PolarHBondContact O-OH 2.8Å; L110-Y112 HydrophobicContact CB-CE2 3.89Å
113	R	95.2	Very high	83.8	Confident	48 Å²	48	69.1 Å²	69.1	18%	0.181	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.3	179.3	-166.2	-178.4	-57.5	-178.7	11.6	110.1	K57 I96 S97 V99 D117	K57-R113 VanDerWaalsContact O-CZ 3.23Å; K57-R113 PolarHBondContact O-NE 2.81Å; K57-R113 VanDerWaalsContact O-NE 3.12Å; K57-R113 PolarHBondContact O-NH2 3.4Å; I96-R113 CarbonylContact C-O 3.5Å; I96-R113 WeakPolarHBondContact CA-O 3.3Å; S97-R113 PolarHBondContact N-O 3.11Å; S97-R113 PolarHBondContact O-N 2.97Å; V99-R113 HydrophobicContact CG1-CB 4.4Å; R113-D117 HydrophobicContact CG-CB 3.99Å
114	W	94.5	Very high	81.5	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.019	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.8	166.8	-66.1	101.6	0	0	0	110.5	L34 R35 M38 M60 W87 L90 L95 I96 D116 D117	L34-W114 HydrophobicContact CB-CH2 4.18Å; R35-W114 HydrophobicContact CB-CD2 3.86Å; R35-W114 HydrophobicContact CB-CE3 3.98Å; R35-W114 HydrophobicContact CB-CH2 3.89Å; R35-W114 HydrophobicContact CB-CZ2 3.75Å; R35-W114 HydrophobicContact CB-CZ3 4Å; R35-W114 HydrophobicContact CG-CD2 3.72Å; R35-W114 HydrophobicContact CG-CE3 4.22Å; R35-W114 HydrophobicContact CG-CG 3.89Å; R35-W114 HydrophobicContact CG-CZ2 4.3Å; M38-W114 HydrophobicContact CE-CZ2 4.07Å; M38-W114 HydrophobicContact SD-CZ2 4.18Å; M60-W114 VanDerWaalsContact CE-CD1 3.44Å; M60-W114 HydrophobicContact CE-CD2 4.38Å; M60-W114 HydrophobicContact CE-CG 4.06Å; M60-W114 PolarHBondContact SD-NE1 2.79Å; W87-W114 HydrophobicContact CH2-CZ2 4.36Å; W87-W114 HydrophobicContact CZ3-CH2 4.02Å; W87-W114 HydrophobicContact CZ3-CZ2 4.01Å; L90-W114 HydrophobicContact CD1-CH2 3.92Å; L90-W114 HydrophobicContact CD1-CZ3 4.23Å; L95-W114 HydrophobicContact CB-CZ3 4.47Å; L95-W114 WeakPolarHBondContact O-CA 3.33Å; I96-W114 HydrophobicContact CG2-CD2 3.66Å; I96-W114 HydrophobicContact CG2-CE3 3.35Å; I96-W114 HydrophobicContact CG2-CG 4.33Å; I96-W114 HydrophobicContact CG2-CH2 4.08Å; I96-W114 HydrophobicContact CG2-CZ2 4.34Å; I96-W114 HydrophobicContact CG2-CZ3 3.59Å; W114-D116 PolarHBondContact O-N 3.15Å; W114-D117 HydrophobicContact CB-CB 4.49Å; W114-D117 PolarHBondContact O-N 3.49Å
115	A	91.5	Very high	78.8	Confident	37 Å²	37	70.1 Å²	70.1	31%	0.306	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56.6	-36.1	177	0	0	0	0	0	112.5	G94 L95 D117 E118	G94-A115 WeakPolarHBondContact O-CB 3.35Å; L95-A115 PolarHBondContact O-N 2.9Å; A115-D117 PolarHBondContact O-N 3.18Å; A115-E118 WeakPolarHBondContact O-CB 3.23Å; A115-E118 PolarHBondContact O-N 2.87Å
116	D	84.8	Confident	76.1	Confident	83 Å²	83	74.7 Å²	74.7	44%	0.444	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-59.6	-26	174.8	-69.9	-18.4	0	0	0	113.6	R35 W114	R35-D116 VanDerWaalsContact CZ-CB 3.42Å; R35-D116 IonicContact CZ-OD2 3.4Å; R35-D116 IonicContact NE-OD2 3.6Å; R35-D116 IonicContact NH1-OD2 2.9Å; R35-D116 PolarHBondContact NH1-OD2 3.44Å; W114-D116 PolarHBondContact O-N 3.15Å
117	D	82.5	Confident	73.6	Confident	9 Å²	9	74.6 Å²	74.6	5%	0.048	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-92.8	4.1	-176.9	-63	-32.4	0	0	0	113	R35 R58 R113 W114 A115	R35-D117 IonicContact CZ-OD1 3.7Å; R35-D117 IonicContact NE-OD1 3.92Å; R35-D117 IonicContact NE-OD2 3.79Å; R35-D117 IonicContact NH2-OD1 2.71Å; R35-D117 PolarHBondContact NH2-OD1 3.2Å; R35-D117 IonicContact NH2-OD2 3.8Å; R58-D117 HydrophobicContact CB-CB 4.21Å; R58-D117 IonicContact CZ-OD1 2.94Å; R58-D117 IonicContact NE-OD1 3.64Å; R58-D117 IonicContact NH1-OD1 3.1Å; R58-D117 PolarHBondContact NH1-OD1 3.32Å; R58-D117 VanDerWaalsContact NH1-OD1 3.1Å; R58-D117 IonicContact NH2-OD1 2.83Å; R58-D117 PolarHBondContact NH2-OD1 3.41Å; R58-D117 IonicContact NH2-OD2 3.95Å; R113-D117 HydrophobicContact CG-CB 3.99Å; W114-D117 HydrophobicContact CB-CB 4.49Å; W114-D117 PolarHBondContact O-N 3.49Å; A115-D117 PolarHBondContact O-N 3.18Å
118	E	75.4	Confident	71	Confident	132 Å²	132	77.2 Å²	77.2	62%	0.617	41%	0.41	S	S	*	.	S	Bend	trans	-80.2	-27.3	177.3	-162.4	170.6	-162.8	0	0	112.9	A115	A115-E118 WeakPolarHBondContact O-CB 3.23Å; A115-E118 PolarHBondContact O-N 2.87Å
119	R	64.9	Low	68.2	Low	203 Å²	203	75 Å²	75	77%	0.766	40%	0.404	S	S	*	.	S	Bend	trans	-71.6	138.3	-175.4	-64.9	-179	-176.5	166.3	3	112.4
120	P	53.5	Low	66	Low	116 Å²	116	73 Å²	73	75%	0.753	40%	0.402	S	S	*	.			trans	-56.4	150.2	176.3	-24.1	32.8	0	0	0	114.1	D122 G123	P120-D122 VanDerWaalsContact C-N 3.26Å; P120-D122 PolarHBondContact O-N 2.81Å; P120-G123 PolarHBondContact O-N 3.19Å
121	A	53.1	Low	63.6	Low	76 Å²	76	75 Å²	75	63%	0.628	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-62.3	-3.9	-158.5	0	0	0	0	0	118.6	G123 A124	A121-G123 PolarHBondContact O-N 2.96Å; A121-A124 HydrophobicContact CB-CB 4.27Å; A121-A124 WeakPolarHBondContact O-CB 3.43Å; A121-A124 PolarHBondContact O-N 3.16Å
122	D	48.3	Very low	61.4	Low	168 Å²	168	82.2 Å²	82.2	90%	0.898	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17	170.2	-67.7	-13.5	0	0	0	111.4	P120	P120-D122 VanDerWaalsContact C-N 3.26Å; P120-D122 PolarHBondContact O-N 2.81Å
123	G	46.4	Very low	59	Low	25 Å²	25	90.5 Å²	90.5	26%	0.258	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-93.7	-3.4	168.6	0	0	0	0	0	115.5	P120 A121 M125 T126 A127	P120-G123 PolarHBondContact O-N 3.19Å; A121-G123 PolarHBondContact O-N 2.96Å; G123-M125 VanDerWaalsContact C-N 3.3Å; G123-M125 PolarHBondContact O-N 2.82Å; G123-T126 WeakPolarHBondContact CA-OG1 3.09Å; G123-T126 CarbonylContact O-C 3.51Å; G123-T126 PolarHBondContact O-N 2.99Å; G123-T126 VanDerWaalsContact O-N 3.16Å; G123-T126 PolarHBondContact O-OG1 2.67Å; G123-A127 VanDerWaalsContact O-CB 3.26Å; G123-A127 WeakPolarHBondContact O-CB 3.34Å; G123-A127 PolarHBondContact O-N 2.94Å
124	A	45.8	Very low	57.2	Low	31 Å²	31	92.7 Å²	92.7	26%	0.256	51%	0.511	S	S	.	.	H	α-helix	trans	-69.4	-33.2	-176.4	0	0	0	0	0	111.6	A121 L128	A121-A124 HydrophobicContact CB-CB 4.27Å; A121-A124 WeakPolarHBondContact O-CB 3.43Å; A121-A124 PolarHBondContact O-N 3.16Å; A124-L128 WeakPolarHBondContact O-CB 3.39Å; A124-L128 WeakPolarHBondContact O-CG 3.42Å; A124-L128 PolarHBondContact O-N 3.5Å
125	M	39.6	Very low	56.2	Low	146 Å²	146	101.9 Å²	101.9	72%	0.719	55%	0.554	S	S	*	*	H	α-helix	trans	-71.6	-35	171.8	-152.1	169.8	166.6	0	0	110.6	G123 N129	G123-M125 VanDerWaalsContact C-N 3.3Å; G123-M125 PolarHBondContact O-N 2.82Å; M125-N129 WeakPolarHBondContact O-CA 3.2Å; M125-N129 WeakPolarHBondContact O-CB 3.47Å; M125-N129 PolarHBondContact O-N 2.89Å; M125-N129 PolarHBondContact O-ND2 3.48Å; M125-N129 PolarHBondContact O-OD1 2.88Å; M125-N129 VanDerWaalsContact O-OD1 3.09Å
126	T	43.2	Very low	55.9	Low	97 Å²	97	101.3 Å²	101.3	60%	0.595	55%	0.545	S	S	*	.	H	α-helix	trans	-76.5	-25.1	173	44.4	0	0	0	0	114.5	G123	G123-T126 WeakPolarHBondContact CA-OG1 3.09Å; G123-T126 CarbonylContact O-C 3.51Å; G123-T126 PolarHBondContact O-N 2.99Å; G123-T126 VanDerWaalsContact O-N 3.16Å; G123-T126 PolarHBondContact O-OG1 2.67Å
127	A	45.1	Very low	56	Low	31 Å²	31	99.8 Å²	99.8	26%	0.256	54%	0.541	S	S	.	.	H	α-helix	trans	-81.4	-21.8	174.6	0	0	0	0	0	112.9	G123	G123-A127 VanDerWaalsContact O-CB 3.26Å; G123-A127 WeakPolarHBondContact O-CB 3.34Å; G123-A127 PolarHBondContact O-N 2.94Å
128	L	42.4	Very low	56.2	Low	104 Å²	104	102.4 Å²	102.4	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-97	-16.1	169.8	-69.6	170.9	0	0	0	112.7	A124 L130	A124-L128 WeakPolarHBondContact O-CB 3.39Å; A124-L128 WeakPolarHBondContact O-CG 3.42Å; A124-L128 PolarHBondContact O-N 3.5Å; L128-L130 PolarHBondContact O-N 3.05Å
129	N	39.5	Very low	56.9	Low	79 Å²	79	102.5 Å²	102.5	42%	0.422	56%	0.562	S	S	.	*			trans	-69.7	73.7	164.5	-73.1	-16.6	0	0	0	108	M125 S131	M125-N129 WeakPolarHBondContact O-CA 3.2Å; M125-N129 WeakPolarHBondContact O-CB 3.47Å; M125-N129 PolarHBondContact O-N 2.89Å; M125-N129 PolarHBondContact O-ND2 3.48Å; M125-N129 PolarHBondContact O-OD1 2.88Å; M125-N129 VanDerWaalsContact O-OD1 3.09Å; N129-S131 PolarHBondContact O-N 3.41Å
130	L	49.4	Very low	58.2	Low	93 Å²	93	94.5 Å²	94.5	49%	0.487	53%	0.534	S	S	.	.			trans	-62.6	31.1	157.4	-69.2	161.9	0	0	0	110.5	T36 L128 D132	T36-L130 HydrophobicContact CG2-CD2 3.95Å; L128-L130 PolarHBondContact O-N 3.05Å; L130-D132 VanDerWaalsContact C-N 3.29Å; L130-D132 PolarHBondContact O-N 3.02Å
131	S	47	Very low	60	Low	82 Å²	82	89.3 Å²	89.3	57%	0.573	50%	0.5	S	S	*	.			trans	-81.1	-0.6	-152.4	63.5	0	0	0	0	114.3	N129	N129-S131 PolarHBondContact O-N 3.41Å
132	D	50.7	Low	62	Low	161 Å²	161	89.6 Å²	89.6	86%	0.861	50%	0.497	S	S	*	.	S	Bend	trans	-161.9	1.1	167	-92.7	-37.3	0	0	0	116.8	L130	L130-D132 VanDerWaalsContact C-N 3.29Å; L130-D132 PolarHBondContact O-N 3.02Å
133	E	45.9	Very low	64.1	Low	175 Å²	175	83 Å²	83	82%	0.818	46%	0.464	S	S	*	.	S	Bend	trans	-123.5	104.8	-172.3	-66.7	-177.6	-176.9	0	0	113
134	M	57.8	Low	66.4	Low	94 Å²	94	81.9 Å²	81.9	46%	0.463	45%	0.451	S	S	.	.			trans	69	95.4	165.5	-73.3	179.9	162.8	0	0	118	L12 F136	L12-M134 HydrophobicContact CD1-CE 4.23Å; M134-F136 VanDerWaalsContact C-N 3.32Å; M134-F136 HydrophobicContact CB-CD1 4.32Å; M134-F136 HydrophobicContact CB-CE1 3.99Å; M134-F136 HydrophobicContact CB-CE2 4.21Å; M134-F136 HydrophobicContact CB-CZ 3.93Å; M134-F136 HydrophobicContact CG-CE1 4.26Å; M134-F136 HydrophobicContact CG-CZ 4.42Å; M134-F136 PolarHBondContact O-N 3.23Å; M134-F136 HydrophobicContact SD-CD1 4.47Å; M134-F136 HydrophobicContact SD-CE1 3.48Å; M134-F136 WeakPolarHBondContact SD-CE1 3.47Å; M134-F136 HydrophobicContact SD-CZ 3.64Å
135	Q	73.1	Confident	68.8	Low	198 Å²	198	80.5 Å²	80.5	93%	0.925	44%	0.44	S	S	*	.			trans	-68.2	92	150.5	-70.8	-178	15.5	0	0	108.7	S137	Q135-S137 PolarHBondContact O-N 3.25Å
136	F	85.8	Confident	71.4	Confident	25 Å²	25	75.3 Å²	75.3	11%	0.11	42%	0.424	C	S	.	.			trans	-62.9	129.8	170.1	-66.9	-60.8	0	0	0	110.1	W29 V33 T36 L37 M134 D140	W29-F136 AromaticContact NE1-CE1 3.88Å; V33-F136 HydrophobicContact CB-CD2 4.36Å; V33-F136 HydrophobicContact CB-CG 4.34Å; V33-F136 HydrophobicContact CG1-CB 4.23Å; V33-F136 HydrophobicContact CG1-CG 4.27Å; V33-F136 HydrophobicContact CG2-CD1 3.66Å; V33-F136 HydrophobicContact CG2-CD2 4.12Å; V33-F136 HydrophobicContact CG2-CE1 3.65Å; V33-F136 HydrophobicContact CG2-CE2 4.1Å; V33-F136 HydrophobicContact CG2-CG 3.9Å; V33-F136 HydrophobicContact CG2-CZ 3.87Å; T36-F136 HydrophobicContact CG2-CD2 4.05Å; L37-F136 HydrophobicContact CD1-CB 4.34Å; L37-F136 WeakPolarHBondContact CD2-O 3.27Å; L37-F136 HydrophobicContact CG-CB 4.31Å; M134-F136 VanDerWaalsContact C-N 3.32Å; M134-F136 HydrophobicContact CB-CD1 4.32Å; M134-F136 HydrophobicContact CB-CE1 3.99Å; M134-F136 HydrophobicContact CB-CE2 4.21Å; M134-F136 HydrophobicContact CB-CZ 3.93Å; M134-F136 HydrophobicContact CG-CE1 4.26Å; M134-F136 HydrophobicContact CG-CZ 4.42Å; M134-F136 PolarHBondContact O-N 3.23Å; M134-F136 HydrophobicContact SD-CD1 4.47Å; M134-F136 HydrophobicContact SD-CE1 3.48Å; M134-F136 WeakPolarHBondContact SD-CE1 3.47Å; M134-F136 HydrophobicContact SD-CZ 3.64Å; F136-D140 HydrophobicContact CB-CB 4.13Å; F136-D140 HydrophobicContact CD1-CB 4.04Å
137	S	87.2	Confident	73.8	Confident	51 Å²	51	71.8 Å²	71.8	36%	0.357	40%	0.402	S	S	.	.			trans	-82.9	171.5	178.8	71.6	0	0	0	0	111.8	Q135 K139 D140 L141	Q135-S137 PolarHBondContact O-N 3.25Å; S137-K139 PolarHBondContact O-N 3.5Å; S137-K139 WeakPolarHBondContact OG-CB 3.47Å; S137-K139 PolarHBondContact OG-N 3.47Å; S137-D140 VanDerWaalsContact CB-OD2 3.32Å; S137-D140 WeakPolarHBondContact CB-OD2 3.41Å; S137-D140 PolarHBondContact N-OD2 3.21Å; S137-D140 PolarHBondContact O-N 3.38Å; S137-D140 PolarHBondContact OG-N 3.44Å; S137-D140 VanDerWaalsContact OG-N 3.15Å; S137-D140 PolarHBondContact OG-OD2 3.15Å; S137-L141 PolarHBondContact O-N 3.38Å
138	A	86.3	Confident	76.3	Confident	64 Å²	64	70.3 Å²	70.3	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-27.5	168.7	0	0	0	0	0	112.6	L141 S142	A138-L141 WeakPolarHBondContact O-CB 3.3Å; A138-L141 PolarHBondContact O-N 3.12Å; A138-S142 PolarHBondContact O-N 2.78Å; A138-S142 VanDerWaalsContact O-N 3.15Å
139	K	90.2	Very high	78.8	Confident	134 Å²	134	67.2 Å²	67.2	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-69.5	-40.9	175	-172.7	-177.9	177	-173.2	0	111.1	S137 L141 S142 V143	S137-K139 PolarHBondContact O-N 3.5Å; S137-K139 WeakPolarHBondContact OG-CB 3.47Å; S137-K139 PolarHBondContact OG-N 3.47Å; K139-L141 VanDerWaalsContact C-N 3.29Å; K139-L141 PolarHBondContact O-N 3.37Å; K139-S142 WeakPolarHBondContact O-CB 3.21Å; K139-S142 PolarHBondContact O-N 3.23Å; K139-V143 WeakPolarHBondContact O-CG2 3.46Å; K139-V143 PolarHBondContact O-N 2.77Å
140	D	91.6	Very high	81.4	Confident	35 Å²	35	69.6 Å²	69.6	19%	0.187	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-38.9	176.1	-59.5	-56.2	0	0	0	111.2	W29 V33 F136 S137 S142 V143 A144	W29-D140 HydrophobicContact CH2-CB 4.4Å; W29-D140 WeakPolarHBondContact CH2-O 3.42Å; W29-D140 HydrophobicContact CZ2-CB 4.28Å; V33-D140 HydrophobicContact CG1-CB 4.3Å; F136-D140 HydrophobicContact CB-CB 4.13Å; F136-D140 HydrophobicContact CD1-CB 4.04Å; S137-D140 VanDerWaalsContact CB-OD2 3.32Å; S137-D140 WeakPolarHBondContact CB-OD2 3.41Å; S137-D140 PolarHBondContact N-OD2 3.21Å; S137-D140 PolarHBondContact O-N 3.38Å; S137-D140 PolarHBondContact OG-N 3.44Å; S137-D140 VanDerWaalsContact OG-N 3.15Å; S137-D140 PolarHBondContact OG-OD2 3.15Å; D140-S142 PolarHBondContact O-N 3.31Å; D140-V143 PolarHBondContact O-N 3.12Å; D140-A144 VanDerWaalsContact O-CB 3.31Å; D140-A144 WeakPolarHBondContact O-CB 3.33Å; D140-A144 PolarHBondContact O-N 3.34Å
141	L	92.5	Very high	83.5	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-45.8	172.9	-175.9	58.6	0	0	0	112.1	V33 L34 L37 W68 A72 S137 A138 K139 V143 A144 I145	V33-L141 HydrophobicContact CG1-CB 4.47Å; V33-L141 HydrophobicContact CG1-CD1 4.47Å; L34-L141 HydrophobicContact CD1-CD1 3.92Å; L34-L141 HydrophobicContact CG-CD1 4.4Å; L37-L141 HydrophobicContact CD1-CB 3.57Å; L37-L141 HydrophobicContact CD1-CD1 3.93Å; L37-L141 HydrophobicContact CD1-CD2 4.05Å; L37-L141 HydrophobicContact CD1-CG 4.05Å; W68-L141 HydrophobicContact CH2-CD1 4.44Å; A72-L141 HydrophobicContact CB-CD2 4.25Å; S137-L141 PolarHBondContact O-N 3.38Å; A138-L141 WeakPolarHBondContact O-CB 3.3Å; A138-L141 PolarHBondContact O-N 3.12Å; K139-L141 VanDerWaalsContact C-N 3.29Å; K139-L141 PolarHBondContact O-N 3.37Å; L141-V143 VanDerWaalsContact C-N 3.35Å; L141-V143 PolarHBondContact O-N 3.02Å; L141-A144 PolarHBondContact O-N 2.78Å; L141-I145 HydrophobicContact CD1-CD1 3.86Å; L141-I145 HydrophobicContact CD1-CG1 4.15Å; L141-I145 HydrophobicContact CG-CD1 3.88Å; L141-I145 HydrophobicContact CG-CG1 4.48Å; L141-I145 WeakPolarHBondContact O-CB 3.48Å; L141-I145 VanDerWaalsContact O-CG1 3.3Å; L141-I145 WeakPolarHBondContact O-CG1 3.33Å; L141-I145 PolarHBondContact O-N 3.46Å
142	S	93.8	Very high	85.8	Confident	82 Å²	82	62.9 Å²	62.9	57%	0.573	35%	0.347	S	S	*	.	H	α-helix	trans	-61.4	-43	178.2	179.6	0	0	0	0	111.7	A138 K139 D140 I145 G146	A138-S142 PolarHBondContact O-N 2.78Å; A138-S142 VanDerWaalsContact O-N 3.15Å; K139-S142 WeakPolarHBondContact O-CB 3.21Å; K139-S142 PolarHBondContact O-N 3.23Å; D140-S142 PolarHBondContact O-N 3.31Å; S142-I145 PolarHBondContact O-N 3.43Å; S142-G146 PolarHBondContact O-N 3.06Å
143	V	93	Very high	88	Confident	31 Å²	31	57.7 Å²	57.7	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-42.3	175.6	175.8	0	0	0	0	111.5	W29 K139 D140 L141 G146 N147	W29-V143 HydrophobicContact CH2-CB 3.99Å; W29-V143 HydrophobicContact CH2-CG1 3.82Å; W29-V143 HydrophobicContact CZ3-CB 4.29Å; W29-V143 HydrophobicContact CZ3-CG1 3.85Å; K139-V143 WeakPolarHBondContact O-CG2 3.46Å; K139-V143 PolarHBondContact O-N 2.77Å; D140-V143 PolarHBondContact O-N 3.12Å; L141-V143 VanDerWaalsContact C-N 3.35Å; L141-V143 PolarHBondContact O-N 3.02Å; V143-G146 PolarHBondContact O-N 2.97Å; V143-N147 PolarHBondContact O-N 2.93Å; V143-N147 PolarHBondContact O-ND2 3.47Å
144	A	94.5	Very high	90.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-45.9	177.3	0	0	0	0	0	111.9	W29 S30 V33 L34 D140 L141 N147 L148	W29-A144 HydrophobicContact CE3-CB 4.38Å; W29-A144 HydrophobicContact CH2-CB 4.24Å; W29-A144 HydrophobicContact CZ3-CB 3.72Å; S30-A144 PolarHBondContact OG-O 3.01Å; V33-A144 HydrophobicContact CB-CB 3.82Å; V33-A144 HydrophobicContact CG1-CB 3.81Å; V33-A144 HydrophobicContact CG2-CB 4.23Å; L34-A144 HydrophobicContact CD1-CB 3.72Å; D140-A144 VanDerWaalsContact O-CB 3.31Å; D140-A144 WeakPolarHBondContact O-CB 3.33Å; D140-A144 PolarHBondContact O-N 3.34Å; L141-A144 PolarHBondContact O-N 2.78Å; A144-N147 PolarHBondContact O-N 2.72Å; A144-L148 WeakPolarHBondContact O-CG 3.43Å; A144-L148 PolarHBondContact O-N 2.84Å
145	I	95.7	Very high	92.2	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-43	175.8	-67.1	174.5	0	0	0	110.2	L34 L69 A72 A76 V77 L141 S142 N147 L148 S149	L34-I145 HydrophobicContact CD1-CG1 4.32Å; L69-I145 HydrophobicContact CD1-CD1 4.03Å; L69-I145 HydrophobicContact CD1-CG1 4.01Å; A72-I145 HydrophobicContact CB-CD1 4.34Å; A76-I145 HydrophobicContact CB-CG2 4.27Å; V77-I145 HydrophobicContact CG2-CG2 4Å; L141-I145 HydrophobicContact CD1-CD1 3.86Å; L141-I145 HydrophobicContact CD1-CG1 4.15Å; L141-I145 HydrophobicContact CG-CD1 3.88Å; L141-I145 HydrophobicContact CG-CG1 4.48Å; L141-I145 WeakPolarHBondContact O-CB 3.48Å; L141-I145 VanDerWaalsContact O-CG1 3.3Å; L141-I145 WeakPolarHBondContact O-CG1 3.33Å; L141-I145 PolarHBondContact O-N 3.46Å; S142-I145 PolarHBondContact O-N 3.43Å; I145-N147 PolarHBondContact O-N 3.06Å; I145-L148 PolarHBondContact O-N 3.14Å; I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.46Å; I145-S149 PolarHBondContact O-OG 2.69Å; I145-S149 VanDerWaalsContact O-OG 3.06Å
146	G	94.7	Very high	93.3	Very high	38 Å²	38	39.1 Å²	39.1	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-58.5	-44.6	176	0	0	0	0	0	113.4	S142 V143 S149 L150	S142-G146 PolarHBondContact O-N 3.06Å; V143-G146 PolarHBondContact O-N 2.97Å; G146-S149 PolarHBondContact O-N 2.72Å; G146-L150 PolarHBondContact O-N 2.89Å; G146-L150 VanDerWaalsContact O-N 3.12Å
147	N	94.2	Very high	93.9	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-45.4	175.2	-75.4	-28.2	0	0	0	112.1	R26 V143 A144 I145 L150 L151	R26-N147 HydrophobicContact CB-CB 4.42Å; V143-N147 PolarHBondContact O-N 2.93Å; V143-N147 PolarHBondContact O-ND2 3.47Å; A144-N147 PolarHBondContact O-N 2.72Å; I145-N147 PolarHBondContact O-N 3.06Å; N147-L150 PolarHBondContact O-N 3.38Å; N147-L151 WeakPolarHBondContact O-CG 3.49Å; N147-L151 PolarHBondContact O-N 2.79Å
148	L	96.1	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-35.7	-179.4	-65.2	169.8	0	0	0	112.3	L34 V86 V89 L90 A144 I145 L150 L151 G152	L34-L148 HydrophobicContact CD1-CD1 4.18Å; L34-L148 HydrophobicContact CD2-CD1 3.74Å; V86-L148 HydrophobicContact CB-CB 4.32Å; V86-L148 HydrophobicContact CG1-CB 3.7Å; V86-L148 HydrophobicContact CG1-CD1 3.85Å; V86-L148 HydrophobicContact CG1-CG 4.36Å; V86-L148 HydrophobicContact CG2-CB 4.08Å; V89-L148 HydrophobicContact CB-CD2 4.29Å; V89-L148 HydrophobicContact CG1-CD2 3.78Å; L90-L148 HydrophobicContact CD1-CD1 4.35Å; L90-L148 HydrophobicContact CD2-CD1 3.96Å; L90-L148 HydrophobicContact CD2-CD2 3.59Å; L90-L148 HydrophobicContact CD2-CG 4.45Å; L90-L148 HydrophobicContact CG-CD1 4.33Å; L90-L148 HydrophobicContact CG-CD2 4.29Å; A144-L148 WeakPolarHBondContact O-CG 3.43Å; A144-L148 PolarHBondContact O-N 2.84Å; I145-L148 PolarHBondContact O-N 3.14Å; L148-L150 PolarHBondContact O-N 2.89Å; L148-L151 CarbonylContact O-C 3.4Å; L148-L151 PolarHBondContact O-N 2.87Å; L148-L151 VanDerWaalsContact O-N 3.12Å; L148-G152 WeakPolarHBondContact O-CA 3.42Å; L148-G152 PolarHBondContact O-N 3.09Å
149	S	95	Very high	94.8	Very high	39 Å²	39	34.5 Å²	34.5	27%	0.273	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-28.1	174.4	-68.4	0	0	0	0	112.2	I145 G146 P153	I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.46Å; I145-S149 PolarHBondContact O-OG 2.69Å; I145-S149 VanDerWaalsContact O-OG 3.06Å; G146-S149 PolarHBondContact O-N 2.72Å; S149-P153 VanDerWaalsContact O-CD 3.22Å; S149-P153 WeakPolarHBondContact O-CD 3.49Å
150	L	94	Very high	95.2	Very high	129 Å²	129	28.1 Å²	28.1	68%	0.675	17%	0.17	S	C	*	.	H	α-helix	trans	-72.4	-33.9	171.9	-175.1	65.1	0	0	0	112.5	G146 N147 L148	G146-L150 PolarHBondContact O-N 2.89Å; G146-L150 VanDerWaalsContact O-N 3.12Å; N147-L150 PolarHBondContact O-N 3.38Å; L148-L150 PolarHBondContact O-N 2.89Å
151	L	94.1	Very high	95.5	Very high	31 Å²	31	26.5 Å²	26.5	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-87.7	-22.9	-179.5	-63.4	174.1	0	0	0	113	A23 V89 N147 L148 D154 A155	A23-L151 HydrophobicContact CB-CD1 4.48Å; A23-L151 HydrophobicContact CB-CD2 3.84Å; V89-L151 HydrophobicContact CG1-CB 4.04Å; V89-L151 HydrophobicContact CG1-CD1 4.06Å; V89-L151 HydrophobicContact CG2-CB 3.67Å; V89-L151 WeakPolarHBondContact CG2-O 3.26Å; N147-L151 WeakPolarHBondContact O-CG 3.49Å; N147-L151 PolarHBondContact O-N 2.79Å; L148-L151 CarbonylContact O-C 3.4Å; L148-L151 PolarHBondContact O-N 2.87Å; L148-L151 VanDerWaalsContact O-N 3.12Å; L151-D154 PolarHBondContact O-N 2.8Å; L151-A155 PolarHBondContact O-N 3.48Å
152	G	96.5	Very high	95.6	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-57.6	-45.1	-173.9	0	0	0	0	0	115	L148 D154 A155 L156	L148-G152 WeakPolarHBondContact O-CA 3.42Å; L148-G152 PolarHBondContact O-N 3.09Å; G152-D154 PolarHBondContact O-N 3.43Å; G152-A155 PolarHBondContact O-N 3.29Å; G152-L156 WeakPolarHBondContact O-CB 3.34Å; G152-L156 PolarHBondContact O-N 3.5Å
153	P	96	Very high	95.6	Very high	51 Å²	51	31.8 Å²	31.8	33%	0.331	17%	0.17	S	C	.	.	H	α-helix	trans	-56.7	-46.8	179.3	-28.5	36.2	0	0	0	113.7	S149 L156 F157 E179	S149-P153 VanDerWaalsContact O-CD 3.22Å; S149-P153 WeakPolarHBondContact O-CD 3.49Å; P153-L156 PolarHBondContact O-N 2.71Å; P153-F157 WeakPolarHBondContact O-CB 3.35Å; P153-F157 PolarHBondContact O-N 3.39Å; P153-E179 VanDerWaalsContact CB-OE1 3.23Å; P153-E179 WeakPolarHBondContact CB-OE1 3.39Å
154	D	94.8	Very high	95.7	Very high	69 Å²	69	32 Å²	32	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-42.6	178	171	75.1	0	0	0	112.5	L151 G152 L156 F157 R158	L151-D154 PolarHBondContact O-N 2.8Å; G152-D154 PolarHBondContact O-N 3.43Å; D154-L156 PolarHBondContact O-N 3.28Å; D154-F157 WeakPolarHBondContact O-CB 3.18Å; D154-F157 PolarHBondContact O-N 2.85Å; D154-R158 WeakPolarHBondContact O-CG 3.49Å; D154-R158 PolarHBondContact O-N 3.49Å; D154-R158 IonicContact OD1-NE 3.55Å; D154-R158 IonicContact OD2-CZ 3.22Å; D154-R158 VanDerWaalsContact OD2-CZ 3.22Å; D154-R158 IonicContact OD2-NE 2.84Å; D154-R158 PolarHBondContact OD2-NE 3.27Å; D154-R158 IonicContact OD2-NH2 2.78Å; D154-R158 PolarHBondContact OD2-NH2 2.93Å
155	A	96.3	Very high	95.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-42.5	177.6	0	0	0	0	0	111.4	Q88 V89 L151 G152 M159	Q88-A155 HydrophobicContact CB-CB 4.31Å; Q88-A155 HydrophobicContact CG-CB 3.96Å; V89-A155 HydrophobicContact CB-CB 4.46Å; V89-A155 HydrophobicContact CG2-CB 3.56Å; L151-A155 PolarHBondContact O-N 3.48Å; G152-A155 PolarHBondContact O-N 3.29Å; A155-M159 WeakPolarHBondContact O-CB 3.43Å; A155-M159 PolarHBondContact O-N 2.85Å
156	L	97.5	Very high	95.6	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-42.2	175.9	-178	65.3	0	0	0	111.7	M81 V84 G152 P153 D154 M159 I160 V175	M81-L156 HydrophobicContact CG-CD1 4.24Å; M81-L156 HydrophobicContact CG-CD2 3.56Å; M81-L156 HydrophobicContact CG-CG 4.49Å; M81-L156 HydrophobicContact SD-CD1 4.02Å; M81-L156 HydrophobicContact SD-CD2 4.4Å; V84-L156 HydrophobicContact CG1-CD1 3.97Å; G152-L156 WeakPolarHBondContact O-CB 3.34Å; G152-L156 PolarHBondContact O-N 3.5Å; P153-L156 PolarHBondContact O-N 2.71Å; D154-L156 PolarHBondContact O-N 3.28Å; L156-M159 HydrophobicContact CD1-CE 3.52Å; L156-M159 WeakPolarHBondContact O-CB 3.34Å; L156-M159 PolarHBondContact O-N 2.79Å; L156-I160 HydrophobicContact CD1-CD1 4.11Å; L156-I160 HydrophobicContact CD1-CG1 4.39Å; L156-I160 HydrophobicContact CG-CD1 3.83Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 3.41Å; L156-V175 HydrophobicContact CD2-CB 4.42Å; L156-V175 HydrophobicContact CD2-CG1 3.69Å; L156-V175 HydrophobicContact CD2-CG2 3.95Å; L156-V175 HydrophobicContact CG-CG1 3.97Å
157	F	97.9	Very high	95.6	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-56	-53.8	174.7	175.5	-118.2	0	0	0	111.9	P153 D154 M159 I160 L161 V176 E179 L180 I183 L227 L275	P153-F157 WeakPolarHBondContact O-CB 3.35Å; P153-F157 PolarHBondContact O-N 3.39Å; D154-F157 WeakPolarHBondContact O-CB 3.18Å; D154-F157 PolarHBondContact O-N 2.85Å; F157-M159 VanDerWaalsContact C-N 3.29Å; F157-M159 PolarHBondContact O-N 3.17Å; F157-I160 PolarHBondContact O-N 3.39Å; F157-L161 HydrophobicContact CD1-CD1 4.23Å; F157-L161 HydrophobicContact CD2-CD1 3.98Å; F157-L161 HydrophobicContact CD2-CG 4.24Å; F157-L161 HydrophobicContact CE1-CD1 3.76Å; F157-L161 HydrophobicContact CE2-CD1 3.53Å; F157-L161 HydrophobicContact CE2-CG 4.14Å; F157-L161 HydrophobicContact CG-CD1 4.33Å; F157-L161 HydrophobicContact CZ-CD1 3.4Å; F157-L161 HydrophobicContact CZ-CG 4.46Å; F157-L161 WeakPolarHBondContact O-CB 3.34Å; F157-L161 VanDerWaalsContact O-CG 3.32Å; F157-L161 WeakPolarHBondContact O-CG 3.39Å; F157-L161 PolarHBondContact O-N 2.94Å; F157-V176 HydrophobicContact CD2-CB 4.37Å; F157-V176 HydrophobicContact CD2-CG1 4.33Å; F157-V176 HydrophobicContact CD2-CG2 4.2Å; F157-V176 HydrophobicContact CE2-CB 4.37Å; F157-V176 HydrophobicContact CE2-CG1 3.86Å; F157-E179 HydrophobicContact CB-CB 4.36Å; F157-E179 HydrophobicContact CB-CG 3.95Å; F157-E179 HydrophobicContact CD1-CB 4.44Å; F157-E179 HydrophobicContact CD2-CB 3.54Å; F157-E179 HydrophobicContact CD2-CG 4Å; F157-E179 HydrophobicContact CE2-CB 3.74Å; F157-E179 HydrophobicContact CG-CB 3.9Å; F157-E179 HydrophobicContact CG-CG 4.05Å; F157-E179 HydrophobicContact CZ-CB 4.31Å; F157-L180 HydrophobicContact CE2-CD2 4.18Å; F157-L180 HydrophobicContact CZ-CD2 4.01Å; F157-I183 HydrophobicContact CZ-CD1 4.35Å; F157-L227 HydrophobicContact CE1-CD1 4.1Å; F157-L227 HydrophobicContact CE1-CD2 4.43Å; F157-L275 HydrophobicContact CE1-CD2 3.98Å; F157-L275 HydrophobicContact CZ-CD1 4.09Å; F157-L275 HydrophobicContact CZ-CD2 3.76Å
158	R	96.2	Very high	95.7	Very high	29 Å²	29	44.4 Å²	44.4	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-35.4	177.7	-69.7	-177.4	-72.2	101.6	-4.1	111.9	E92 D154 R162 F203	E92-R158 IonicContact OE1-CZ 3.94Å; E92-R158 IonicContact OE1-NH1 3.06Å; E92-R158 PolarHBondContact OE1-NH1 3.45Å; E92-R158 IonicContact OE2-CZ 3.11Å; E92-R158 IonicContact OE2-NH1 2.69Å; E92-R158 PolarHBondContact OE2-NH1 3.01Å; E92-R158 IonicContact OE2-NH2 2.72Å; E92-R158 PolarHBondContact OE2-NH2 3.25Å; D154-R158 WeakPolarHBondContact O-CG 3.49Å; D154-R158 PolarHBondContact O-N 3.49Å; D154-R158 IonicContact OD1-NE 3.55Å; D154-R158 IonicContact OD2-CZ 3.22Å; D154-R158 VanDerWaalsContact OD2-CZ 3.22Å; D154-R158 IonicContact OD2-NE 2.84Å; D154-R158 PolarHBondContact OD2-NE 3.27Å; D154-R158 IonicContact OD2-NH2 2.78Å; D154-R158 PolarHBondContact OD2-NH2 2.93Å; R158-R162 WeakPolarHBondContact O-CG 3.47Å; R158-R162 PolarHBondContact O-N 2.94Å; R158-F203 HydrophobicContact CB-CE2 4.4Å; R158-F203 HydrophobicContact CG-CD2 4.15Å; R158-F203 HydrophobicContact CG-CE2 3.82Å; R158-F203 HydrophobicContact CG-CZ 4.49Å
159	M	96.7	Very high	95.7	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.044	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-46.6	174.6	-175.5	-171.7	82.9	0	0	112.1	V84 Q88 P104 F105 A155 L156 F157 R162	V84-M159 HydrophobicContact CG1-CE 3.81Å; V84-M159 HydrophobicContact CG1-SD 4.37Å; Q88-M159 HydrophobicContact CB-SD 4.44Å; Q88-M159 HydrophobicContact CG-CB 4.13Å; Q88-M159 HydrophobicContact CG-CG 4.49Å; Q88-M159 HydrophobicContact CG-SD 4.02Å; P104-M159 HydrophobicContact CB-CG 3.73Å; P104-M159 HydrophobicContact CB-SD 3.81Å; P104-M159 HydrophobicContact CG-CG 4.05Å; P104-M159 HydrophobicContact CG-SD 4.22Å; F105-M159 VanDerWaalsContact O-SD 3.39Å; A155-M159 WeakPolarHBondContact O-CB 3.43Å; A155-M159 PolarHBondContact O-N 2.85Å; L156-M159 HydrophobicContact CD1-CE 3.52Å; L156-M159 WeakPolarHBondContact O-CB 3.34Å; L156-M159 PolarHBondContact O-N 2.79Å; F157-M159 VanDerWaalsContact C-N 3.29Å; F157-M159 PolarHBondContact O-N 3.17Å; M159-R162 PolarHBondContact O-N 2.89Å
160	I	97.9	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-43.8	178.9	-68.2	163.2	0	0	0	110.6	L156 F157 R162 K163 R168 E172 V175 V176	L156-I160 HydrophobicContact CD1-CD1 4.11Å; L156-I160 HydrophobicContact CD1-CG1 4.39Å; L156-I160 HydrophobicContact CG-CD1 3.83Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 3.41Å; F157-I160 PolarHBondContact O-N 3.39Å; I160-R162 PolarHBondContact O-N 3.16Å; I160-K163 VanDerWaalsContact O-CB 3.31Å; I160-K163 WeakPolarHBondContact O-CB 3.29Å; I160-K163 WeakPolarHBondContact O-CG 3.39Å; I160-K163 PolarHBondContact O-N 2.98Å; I160-R168 HydrophobicContact CG2-CG 4.12Å; I160-E172 HydrophobicContact CD1-CB 3.86Å; I160-E172 HydrophobicContact CD1-CG 3.89Å; I160-E172 HydrophobicContact CG1-CB 4.11Å; I160-E172 HydrophobicContact CG1-CG 3.96Å; I160-E172 HydrophobicContact CG2-CB 3.89Å; I160-V175 HydrophobicContact CD1-CB 3.92Å; I160-V175 HydrophobicContact CD1-CG1 3.84Å; I160-V176 HydrophobicContact CB-CG2 4.18Å; I160-V176 HydrophobicContact CG2-CG2 3.56Å
161	L	97.7	Very high	95.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-70.1	-10.4	-177.5	-68.4	-172.8	0	0	0	114.8	F157 K163 V176 V201 F203 L275	F157-L161 HydrophobicContact CD1-CD1 4.23Å; F157-L161 HydrophobicContact CD2-CD1 3.98Å; F157-L161 HydrophobicContact CD2-CG 4.24Å; F157-L161 HydrophobicContact CE1-CD1 3.76Å; F157-L161 HydrophobicContact CE2-CD1 3.53Å; F157-L161 HydrophobicContact CE2-CG 4.14Å; F157-L161 HydrophobicContact CG-CD1 4.33Å; F157-L161 HydrophobicContact CZ-CD1 3.4Å; F157-L161 HydrophobicContact CZ-CG 4.46Å; F157-L161 WeakPolarHBondContact O-CB 3.34Å; F157-L161 VanDerWaalsContact O-CG 3.32Å; F157-L161 WeakPolarHBondContact O-CG 3.39Å; F157-L161 PolarHBondContact O-N 2.94Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-V176 HydrophobicContact CD2-CG1 3.88Å; L161-V176 HydrophobicContact CD2-CG2 3.89Å; L161-V176 HydrophobicContact CG-CG2 4.38Å; L161-V201 HydrophobicContact CD1-CG1 4.35Å; L161-V201 HydrophobicContact CD2-CG1 3.7Å; L161-F203 HydrophobicContact CB-CB 3.64Å; L161-F203 PolarHBondContact O-N 2.87Å; L161-L275 HydrophobicContact CD1-CD2 3.34Å
162	R	94.7	Very high	95.8	Very high	141 Å²	141	47.6 Å²	47.6	53%	0.532	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.5	168.6	-73.6	169.9	-173.8	-129.3	3	113	R158 M159 I160 F203	R158-R162 WeakPolarHBondContact O-CG 3.47Å; R158-R162 PolarHBondContact O-N 2.94Å; M159-R162 PolarHBondContact O-N 2.89Å; I160-R162 PolarHBondContact O-N 3.16Å; R162-F203 HydrophobicContact CG-CD1 4.26Å
163	K	94.4	Very high	95.8	Very high	58 Å²	58	49.8 Å²	49.8	25%	0.252	26%	0.261	S	S	.	.	S	Bend	trans	-73.7	153.2	172.1	-56.3	-176.4	-174.1	-178.1	0	110.5	I160 L161 E167 R168 E172	I160-K163 VanDerWaalsContact O-CB 3.31Å; I160-K163 WeakPolarHBondContact O-CB 3.29Å; I160-K163 WeakPolarHBondContact O-CG 3.39Å; I160-K163 PolarHBondContact O-N 2.98Å; L161-K163 VanDerWaalsContact C-N 3.32Å; K163-E167 HydrophobicContact CB-CB 4.27Å; K163-R168 HydrophobicContact CB-CG 4.41Å; K163-R168 PolarHBondContact O-NH2 3Å; K163-E172 IonicContact NZ-OE1 2.99Å; K163-E172 PolarHBondContact NZ-OE1 3.29Å; K163-E172 IonicContact NZ-OE2 2.79Å; K163-E172 PolarHBondContact NZ-OE2 3.38Å
164	S	94	Very high	95.8	Very high	35 Å²	35	51 Å²	51	25%	0.245	26%	0.262	C	S	.	.			trans	-60.9	150	166	65.5	0	0	0	0	110.3	N166 E167	S164-N166 WeakPolarHBondContact CB-OD1 3.25Å; S164-N166 PolarHBondContact O-N 3.24Å; S164-N166 PolarHBondContact OG-OD1 3.03Å; S164-N166 VanDerWaalsContact OG-OD1 3.06Å; S164-E167 PolarHBondContact N-OE2 3.04Å; S164-E167 PolarHBondContact O-N 3.09Å; S164-E167 WeakPolarHBondContact OG-CG 3.48Å; S164-E167 PolarHBondContact OG-OE2 2.85Å
165	S	94.2	Very high	95.9	Very high	53 Å²	53	49.2 Å²	49.2	37%	0.371	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-56.3	-34.1	-178	45.3	0	0	0	0	112.8	E167 S199	S165-E167 VanDerWaalsContact C-N 3.3Å; S165-E167 PolarHBondContact O-N 3.35Å; S165-S199 WeakPolarHBondContact CB-O 3.47Å
166	N	94.3	Very high	96	Very high	133 Å²	133	49.2 Å²	49.2	71%	0.711	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-77.4	-6.4	179.2	59.3	-78.5	0	0	0	115	S164	S164-N166 WeakPolarHBondContact CB-OD1 3.25Å; S164-N166 PolarHBondContact O-N 3.24Å; S164-N166 PolarHBondContact OG-OD1 3.03Å; S164-N166 VanDerWaalsContact OG-OD1 3.06Å
167	E	95.5	Very high	96	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-101.7	-1.9	179.1	-73.3	169.7	147.2	0	0	113.5	K163 S164 S165	K163-E167 HydrophobicContact CB-CB 4.27Å; S164-E167 PolarHBondContact N-OE2 3.04Å; S164-E167 PolarHBondContact O-N 3.09Å; S164-E167 WeakPolarHBondContact OG-CG 3.48Å; S164-E167 PolarHBondContact OG-OE2 2.85Å; S165-E167 VanDerWaalsContact C-N 3.3Å; S165-E167 PolarHBondContact O-N 3.35Å
168	R	96.4	Very high	95.9	Very high	19 Å²	19	53.3 Å²	53.3	7%	0.072	27%	0.272	C	S	.	.			trans	-84.4	131.4	-177.7	-59	174.4	-169.1	168	4.7	110.4	I160 K163 L173 A198 V201 M202	I160-R168 HydrophobicContact CG2-CG 4.12Å; K163-R168 HydrophobicContact CB-CG 4.41Å; K163-R168 PolarHBondContact O-NH2 3Å; R168-L173 HydrophobicContact CB-CD2 3.84Å; R168-L173 HydrophobicContact CB-CG 4.18Å; R168-A198 PolarHBondContact NH1-O 3.44Å; R168-V201 PolarHBondContact NH1-O 3.22Å; R168-V201 PolarHBondContact NH2-O 3.32Å; R168-M202 PolarHBondContact NH2-SD 2.85Å; R168-M202 VanDerWaalsContact NH2-SD 3.37Å
169	C	95.1	Very high	95.9	Very high	51 Å²	51	53.8 Å²	53.8	35%	0.345	28%	0.276	S	S	.	.			trans	-85.5	169.8	174.5	77.1	0	0	0	0	112.2	E171 E172 L173	C169-E171 VanDerWaalsContact C-N 3.31Å; C169-E171 PolarHBondContact O-N 3.49Å; C169-E171 PolarHBondContact SG-OE2 3.09Å; C169-E172 PolarHBondContact N-OE2 3.45Å; C169-E172 WeakPolarHBondContact O-CB 3.49Å; C169-E172 PolarHBondContact O-N 2.82Å; C169-E172 VanDerWaalsContact O-N 3.15Å; C169-E172 VanDerWaalsContact SG-CG 3.56Å; C169-L173 WeakPolarHBondContact O-CG 3.21Å; C169-L173 PolarHBondContact O-N 3.46Å
170	S	94.6	Very high	95.9	Very high	85 Å²	85	53.4 Å²	53.4	59%	0.594	27%	0.274	S	S	*	.	H	α-helix	trans	-55.4	-42.7	-179.7	31.7	0	0	0	0	113.7	E172 L173 E174	S170-E172 VanDerWaalsContact C-N 3.33Å; S170-L173 PolarHBondContact O-N 3.27Å; S170-E174 PolarHBondContact O-N 3.01Å; S170-E174 VanDerWaalsContact O-N 3.07Å
171	E	94.6	Very high	95.8	Very high	112 Å²	112	56.7 Å²	56.7	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-37	179.7	-61.8	80.7	177.7	0	0	111.3	M81 C169 E174 V175	M81-E171 HydrophobicContact CE-CB 4.27Å; C169-E171 VanDerWaalsContact C-N 3.31Å; C169-E171 PolarHBondContact O-N 3.49Å; C169-E171 PolarHBondContact SG-OE2 3.09Å; E171-E174 PolarHBondContact O-N 3.22Å; E171-V175 WeakPolarHBondContact O-CG2 3.47Å; E171-V175 PolarHBondContact O-N 2.8Å
172	E	96.4	Very high	95.6	Very high	18 Å²	18	62.7 Å²	62.7	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-70.6	-38.1	176	-72.7	179.1	157.5	0	0	111.9	M81 I160 K163 C169 S170 E174 V175 V176	M81-E172 HydrophobicContact CE-CG 4.05Å; I160-E172 HydrophobicContact CD1-CB 3.86Å; I160-E172 HydrophobicContact CD1-CG 3.89Å; I160-E172 HydrophobicContact CG1-CB 4.11Å; I160-E172 HydrophobicContact CG1-CG 3.96Å; I160-E172 HydrophobicContact CG2-CB 3.89Å; K163-E172 IonicContact NZ-OE1 2.99Å; K163-E172 PolarHBondContact NZ-OE1 3.29Å; K163-E172 IonicContact NZ-OE2 2.79Å; K163-E172 PolarHBondContact NZ-OE2 3.38Å; C169-E172 PolarHBondContact N-OE2 3.45Å; C169-E172 WeakPolarHBondContact O-CB 3.49Å; C169-E172 PolarHBondContact O-N 2.82Å; C169-E172 VanDerWaalsContact O-N 3.15Å; C169-E172 VanDerWaalsContact SG-CG 3.56Å; S170-E172 VanDerWaalsContact C-N 3.33Å; E172-E174 VanDerWaalsContact C-N 3.29Å; E172-E174 PolarHBondContact O-N 2.93Å; E172-V175 PolarHBondContact O-N 3.5Å; E172-V176 WeakPolarHBondContact O-CG2 3.17Å; E172-V176 PolarHBondContact O-N 3.22Å
173	L	97.2	Very high	95.6	Very high	50 Å²	50	57 Å²	57	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-35.7	174.2	-68.8	179.1	0	0	0	111.9	R168 C169 S170 V176 F177	R168-L173 HydrophobicContact CB-CD2 3.84Å; R168-L173 HydrophobicContact CB-CG 4.18Å; C169-L173 WeakPolarHBondContact O-CG 3.21Å; C169-L173 PolarHBondContact O-N 3.46Å; S170-L173 PolarHBondContact O-N 3.27Å; L173-V176 PolarHBondContact O-N 2.97Å; L173-F177 WeakPolarHBondContact O-CB 3.36Å; L173-F177 PolarHBondContact O-N 3Å
174	E	96	Very high	95.5	Very high	77 Å²	77	62 Å²	62	36%	0.36	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.4	-161.3	64.3	-156.7	0	0	111.2	S170 E171 E172 V176 F177 E178 R195	S170-E174 PolarHBondContact O-N 3.01Å; S170-E174 VanDerWaalsContact O-N 3.07Å; E171-E174 PolarHBondContact O-N 3.22Å; E172-E174 VanDerWaalsContact C-N 3.29Å; E172-E174 PolarHBondContact O-N 2.93Å; E174-V176 VanDerWaalsContact C-N 3.33Å; E174-V176 PolarHBondContact O-N 3.47Å; E174-F177 WeakPolarHBondContact O-CB 3.37Å; E174-F177 PolarHBondContact O-N 3.36Å; E174-F177 WeakPolarHBondContact OE1-CD1 3.29Å; E174-E178 WeakPolarHBondContact O-CG 3.47Å; E174-E178 PolarHBondContact O-N 3.36Å; E174-R195 IonicContact OE1-NH1 3.44Å; E174-R195 IonicContact OE1-NH2 3.97Å; E174-R195 IonicContact OE2-NH1 3.53Å; E174-R195 PolarHBondContact OE2-NH1 2.78Å; E174-R195 VanDerWaalsContact OE2-NH1 3.1Å
175	V	96.1	Very high	95.5	Very high	31 Å²	31	60.7 Å²	60.7	19%	0.188	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-46.1	173	172.7	0	0	0	0	111.3	M81 L156 I160 E171 E172 F177 E178 E179	M81-V175 HydrophobicContact CG-CG2 4.33Å; L156-V175 HydrophobicContact CD2-CB 4.42Å; L156-V175 HydrophobicContact CD2-CG1 3.69Å; L156-V175 HydrophobicContact CD2-CG2 3.95Å; L156-V175 HydrophobicContact CG-CG1 3.97Å; I160-V175 HydrophobicContact CD1-CB 3.92Å; I160-V175 HydrophobicContact CD1-CG1 3.84Å; E171-V175 WeakPolarHBondContact O-CG2 3.47Å; E171-V175 PolarHBondContact O-N 2.8Å; E172-V175 PolarHBondContact O-N 3.5Å; V175-F177 VanDerWaalsContact C-N 3.33Å; V175-F177 PolarHBondContact O-N 3.36Å; V175-E178 PolarHBondContact O-N 2.88Å; V175-E179 WeakPolarHBondContact O-CG 3.49Å; V175-E179 PolarHBondContact O-N 3.35Å; V175-E179 VanDerWaalsContact O-N 3.16Å
176	V	98.2	Very high	95.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-46.2	177.3	174	0	0	0	0	110.4	F157 I160 L161 E172 L173 E174 E179 L180 A198 V201	F157-V176 HydrophobicContact CD2-CB 4.37Å; F157-V176 HydrophobicContact CD2-CG1 4.33Å; F157-V176 HydrophobicContact CD2-CG2 4.2Å; F157-V176 HydrophobicContact CE2-CB 4.37Å; F157-V176 HydrophobicContact CE2-CG1 3.86Å; I160-V176 HydrophobicContact CB-CG2 4.18Å; I160-V176 HydrophobicContact CG2-CG2 3.56Å; L161-V176 HydrophobicContact CD2-CG1 3.88Å; L161-V176 HydrophobicContact CD2-CG2 3.89Å; L161-V176 HydrophobicContact CG-CG2 4.38Å; E172-V176 WeakPolarHBondContact O-CG2 3.17Å; E172-V176 PolarHBondContact O-N 3.22Å; L173-V176 PolarHBondContact O-N 2.97Å; E174-V176 VanDerWaalsContact C-N 3.33Å; E174-V176 PolarHBondContact O-N 3.47Å; V176-E179 PolarHBondContact O-N 2.95Å; V176-L180 HydrophobicContact CG1-CD1 4.33Å; V176-L180 HydrophobicContact CG1-CG 4.35Å; V176-L180 VanDerWaalsContact O-CG 3.3Å; V176-L180 WeakPolarHBondContact O-CG 3.36Å; V176-L180 PolarHBondContact O-N 3.35Å; V176-A198 HydrophobicContact CB-CB 4.13Å; V176-A198 HydrophobicContact CG1-CB 3.69Å; V176-V201 HydrophobicContact CG1-CG1 4.12Å
177	F	97.8	Very high	95.5	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-48.3	179	168.2	-102.6	0	0	0	112.5	L173 E174 V175 E179 L180 L181 T191 K194 R195 A198	L173-F177 WeakPolarHBondContact O-CB 3.36Å; L173-F177 PolarHBondContact O-N 3Å; E174-F177 WeakPolarHBondContact O-CB 3.37Å; E174-F177 PolarHBondContact O-N 3.36Å; E174-F177 WeakPolarHBondContact OE1-CD1 3.29Å; V175-F177 VanDerWaalsContact C-N 3.33Å; V175-F177 PolarHBondContact O-N 3.36Å; F177-E179 VanDerWaalsContact C-N 3.27Å; F177-E179 PolarHBondContact O-N 3.25Å; F177-L180 WeakPolarHBondContact O-CB 3.48Å; F177-L180 PolarHBondContact O-N 3.5Å; F177-L180 VanDerWaalsContact O-N 3.11Å; F177-L181 HydrophobicContact CE1-CD1 3.93Å; F177-L181 HydrophobicContact CE1-CD2 4.48Å; F177-L181 HydrophobicContact CE1-CG 4.33Å; F177-L181 HydrophobicContact CE2-CD2 4.12Å; F177-L181 HydrophobicContact CZ-CD1 4.12Å; F177-L181 HydrophobicContact CZ-CD2 3.86Å; F177-L181 HydrophobicContact CZ-CG 4.18Å; F177-L181 PolarHBondContact O-N 3.49Å; F177-L181 VanDerWaalsContact O-N 3.15Å; F177-T191 HydrophobicContact CE2-CG2 3.88Å; F177-T191 HydrophobicContact CZ-CG2 3.6Å; F177-K194 HydrophobicContact CD2-CB 4.25Å; F177-K194 HydrophobicContact CE2-CB 4.05Å; F177-R195 HydrophobicContact CD2-CB 3.98Å; F177-R195 HydrophobicContact CD2-CG 4.42Å; F177-R195 HydrophobicContact CE2-CB 4.09Å; F177-A198 HydrophobicContact CB-CB 3.98Å
178	E	96.3	Very high	95.2	Very high	89 Å²	89	55.3 Å²	55.3	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-40.1	177.5	-71.4	-60.3	148.5	0	0	111.9	E174 V175 L181 N182	E174-E178 WeakPolarHBondContact O-CG 3.47Å; E174-E178 PolarHBondContact O-N 3.36Å; V175-E178 PolarHBondContact O-N 2.88Å; E178-L181 WeakPolarHBondContact O-CB 3.28Å; E178-L181 PolarHBondContact O-N 3.25Å; E178-N182 PolarHBondContact O-ND2 2.73Å
179	E	96.5	Very high	95	Very high	40 Å²	40	55.8 Å²	55.8	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-70	-37.2	176.7	-69.7	-68.6	121.2	0	0	112.3	P153 F157 V175 V176 F177 L181 N182	P153-E179 VanDerWaalsContact CB-OE1 3.23Å; P153-E179 WeakPolarHBondContact CB-OE1 3.39Å; F157-E179 HydrophobicContact CB-CB 4.36Å; F157-E179 HydrophobicContact CB-CG 3.95Å; F157-E179 HydrophobicContact CD1-CB 4.44Å; F157-E179 HydrophobicContact CD2-CB 3.54Å; F157-E179 HydrophobicContact CD2-CG 4Å; F157-E179 HydrophobicContact CE2-CB 3.74Å; F157-E179 HydrophobicContact CG-CB 3.9Å; F157-E179 HydrophobicContact CG-CG 4.05Å; F157-E179 HydrophobicContact CZ-CB 4.31Å; V175-E179 WeakPolarHBondContact O-CG 3.49Å; V175-E179 PolarHBondContact O-N 3.35Å; V175-E179 VanDerWaalsContact O-N 3.16Å; V176-E179 PolarHBondContact O-N 2.95Å; F177-E179 VanDerWaalsContact C-N 3.27Å; F177-E179 PolarHBondContact O-N 3.25Å; E179-L181 PolarHBondContact O-N 2.87Å; E179-N182 PolarHBondContact O-N 2.8Å
180	L	97.1	Very high	94.7	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-23.7	174.2	-64.1	-175.5	0	0	0	113.1	F157 V176 F177 N182 I183 L186 K194 L197 A198 V201 L275	F157-L180 HydrophobicContact CE2-CD2 4.18Å; F157-L180 HydrophobicContact CZ-CD2 4.01Å; V176-L180 HydrophobicContact CG1-CD1 4.33Å; V176-L180 HydrophobicContact CG1-CG 4.35Å; V176-L180 VanDerWaalsContact O-CG 3.3Å; V176-L180 WeakPolarHBondContact O-CG 3.36Å; V176-L180 PolarHBondContact O-N 3.35Å; F177-L180 WeakPolarHBondContact O-CB 3.48Å; F177-L180 PolarHBondContact O-N 3.5Å; F177-L180 VanDerWaalsContact O-N 3.11Å; L180-N182 PolarHBondContact O-N 2.89Å; L180-I183 HydrophobicContact CD2-CD1 3.74Å; L180-I183 PolarHBondContact O-N 2.79Å; L180-L186 HydrophobicContact CB-CD1 3.97Å; L180-L186 HydrophobicContact CD2-CD1 3.7Å; L180-L186 HydrophobicContact CG-CD1 4.26Å; L180-K194 WeakPolarHBondContact CD1-O 3.5Å; L180-L197 HydrophobicContact CD1-CB 3.85Å; L180-A198 HydrophobicContact CD1-CB 4.01Å; L180-V201 HydrophobicContact CD1-CG1 4.46Å; L180-L275 HydrophobicContact CD2-CD1 3.75Å
181	L	94.8	Very high	94.3	Very high	68 Å²	68	55.8 Å²	55.8	36%	0.356	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-30.8	173.1	-64.4	176.1	0	0	0	112	F177 E178 E179 K194	F177-L181 HydrophobicContact CE1-CD1 3.93Å; F177-L181 HydrophobicContact CE1-CD2 4.48Å; F177-L181 HydrophobicContact CE1-CG 4.33Å; F177-L181 HydrophobicContact CE2-CD2 4.12Å; F177-L181 HydrophobicContact CZ-CD1 4.12Å; F177-L181 HydrophobicContact CZ-CD2 3.86Å; F177-L181 HydrophobicContact CZ-CG 4.18Å; F177-L181 PolarHBondContact O-N 3.49Å; F177-L181 VanDerWaalsContact O-N 3.15Å; E178-L181 WeakPolarHBondContact O-CB 3.28Å; E178-L181 PolarHBondContact O-N 3.25Å; E179-L181 PolarHBondContact O-N 2.87Å; L181-K194 HydrophobicContact CD2-CD 3.78Å
182	N	93.6	Very high	94	Very high	127 Å²	127	51.5 Å²	51.5	68%	0.679	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-2.9	-175.7	-63.5	-46.1	0	0	0	113.6	E178 E179 L180	E178-N182 PolarHBondContact O-ND2 2.73Å; E179-N182 PolarHBondContact O-N 2.8Å; L180-N182 PolarHBondContact O-N 2.89Å
183	I	94.8	Very high	93.9	Very high	21 Å²	21	51.8 Å²	51.8	11%	0.108	28%	0.276	C	S	.	.			trans	-87.5	115.2	-177.9	-60.8	-178.5	0	0	0	110.9	F157 L180 A185 L186 A187 I225 L227 L275	F157-I183 HydrophobicContact CZ-CD1 4.35Å; L180-I183 HydrophobicContact CD2-CD1 3.74Å; L180-I183 PolarHBondContact O-N 2.79Å; I183-A185 VanDerWaalsContact C-N 3.34Å; I183-A185 HydrophobicContact CG2-CB 4.18Å; I183-A185 PolarHBondContact O-N 2.87Å; I183-L186 HydrophobicContact CB-CB 4.35Å; I183-L186 HydrophobicContact CB-CD1 4.05Å; I183-L186 HydrophobicContact CB-CG 4.1Å; I183-L186 HydrophobicContact CD1-CD1 4.25Å; I183-L186 HydrophobicContact CG2-CB 4.48Å; I183-L186 HydrophobicContact CG2-CD1 4.19Å; I183-L186 HydrophobicContact CG2-CG 3.9Å; I183-L186 WeakPolarHBondContact O-CA 3.24Å; I183-L186 WeakPolarHBondContact O-CB 3.28Å; I183-L186 PolarHBondContact O-N 3.26Å; I183-A187 PolarHBondContact O-N 3.34Å; I183-I225 HydrophobicContact CG2-CG2 3.87Å; I183-L227 HydrophobicContact CD1-CD2 4.11Å; I183-L275 HydrophobicContact CD1-CD1 3.35Å
184	K	93	Very high	93.8	Very high	163 Å²	163	50 Å²	50	71%	0.709	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-52.3	-45.2	-179.2	-174.8	-174.2	175.4	-167.4	0	113.7	L186 A187	K184-L186 PolarHBondContact O-N 2.9Å; K184-L186 VanDerWaalsContact O-N 3.09Å; K184-A187 VanDerWaalsContact O-CB 3.27Å; K184-A187 WeakPolarHBondContact O-CB 3.22Å; K184-A187 PolarHBondContact O-N 2.98Å
185	A	94.2	Very high	93.7	Very high	8 Å²	8	52 Å²	52	7%	0.066	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56.8	-25.1	176.5	0	0	0	0	0	113.4	I183 H188 I225 G247 D249	I183-A185 VanDerWaalsContact C-N 3.34Å; I183-A185 HydrophobicContact CG2-CB 4.18Å; I183-A185 PolarHBondContact O-N 2.87Å; A185-H188 PolarHBondContact O-CE1 3.03Å; A185-H188 PolarHBondContact O-ND1 2.75Å; A185-H188 VanDerWaalsContact O-ND1 3.12Å; A185-I225 HydrophobicContact CB-CG1 4.2Å; A185-I225 HydrophobicContact CB-CG2 3.65Å; A185-G247 WeakPolarHBondContact CB-O 3.02Å; A185-G247 PolarHBondContact N-O 2.99Å; A185-D249 HydrophobicContact CB-CB 4Å
186	L	95.3	Very high	93.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-98.4	-3.1	-178.4	-56.5	-176.5	0	0	0	113.1	L180 I183 K184 H188 L189 K194 L197 W223 I225	L180-L186 HydrophobicContact CB-CD1 3.97Å; L180-L186 HydrophobicContact CD2-CD1 3.7Å; L180-L186 HydrophobicContact CG-CD1 4.26Å; I183-L186 HydrophobicContact CB-CB 4.35Å; I183-L186 HydrophobicContact CB-CD1 4.05Å; I183-L186 HydrophobicContact CB-CG 4.1Å; I183-L186 HydrophobicContact CD1-CD1 4.25Å; I183-L186 HydrophobicContact CG2-CB 4.48Å; I183-L186 HydrophobicContact CG2-CD1 4.19Å; I183-L186 HydrophobicContact CG2-CG 3.9Å; I183-L186 WeakPolarHBondContact O-CA 3.24Å; I183-L186 WeakPolarHBondContact O-CB 3.28Å; I183-L186 PolarHBondContact O-N 3.26Å; K184-L186 PolarHBondContact O-N 2.9Å; K184-L186 VanDerWaalsContact O-N 3.09Å; L186-H188 PolarHBondContact O-N 2.87Å; L186-H188 VanDerWaalsContact O-N 3.1Å; L186-L189 HydrophobicContact CD2-CD1 3.67Å; L186-L189 WeakPolarHBondContact O-CB 3.47Å; L186-L189 PolarHBondContact O-N 2.89Å; L186-K194 WeakPolarHBondContact O-CE 3.48Å; L186-K194 PolarHBondContact O-NZ 2.77Å; L186-L197 HydrophobicContact CD2-CD1 4.21Å; L186-W223 HydrophobicContact CD2-CH2 3.52Å; L186-W223 HydrophobicContact CD2-CZ2 4.12Å; L186-W223 HydrophobicContact CD2-CZ3 4.42Å; L186-I225 HydrophobicContact CD1-CD1 4.26Å; L186-I225 HydrophobicContact CD2-CD1 3.48Å; L186-I225 VanDerWaalsContact CD2-CD1 3.48Å; L186-I225 HydrophobicContact CG-CD1 4Å
187	A	92.9	Very high	93.6	Very high	71 Å²	71	53.6 Å²	53.6	59%	0.587	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.8	-174.4	0	0	0	0	0	113	I183 K184 L189	I183-A187 PolarHBondContact O-N 3.34Å; K184-A187 VanDerWaalsContact O-CB 3.27Å; K184-A187 WeakPolarHBondContact O-CB 3.22Å; K184-A187 PolarHBondContact O-N 2.98Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.42Å
188	H	89	Confident	93.6	Very high	119 Å²	119	53.3 Å²	53.3	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.8	-179.3	68.1	-82.3	0	0	0	114.9	A185 L186 K252	A185-H188 PolarHBondContact O-CE1 3.03Å; A185-H188 PolarHBondContact O-ND1 2.75Å; A185-H188 VanDerWaalsContact O-ND1 3.12Å; L186-H188 PolarHBondContact O-N 2.87Å; L186-H188 VanDerWaalsContact O-N 3.1Å; H188-K252 PolarHBondContact NE2-NZ 2.81Å; H188-K252 VanDerWaalsContact NE2-NZ 3.19Å
189	L	91.3	Very high	93.7	Very high	29 Å²	29	50.7 Å²	50.7	15%	0.152	27%	0.267	C	S	.	.	S	Bend	trans	-88.1	145.5	179.4	-57.2	-175.8	0	0	0	110.9	L186 A187 V193 K194 L197 W223	L186-L189 HydrophobicContact CD2-CD1 3.67Å; L186-L189 WeakPolarHBondContact O-CB 3.47Å; L186-L189 PolarHBondContact O-N 2.89Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.42Å; L189-V193 HydrophobicContact CB-CB 4.18Å; L189-V193 HydrophobicContact CB-CG1 4.01Å; L189-V193 HydrophobicContact CD1-CG1 3.74Å; L189-V193 HydrophobicContact CD2-CG1 4.39Å; L189-V193 HydrophobicContact CG-CG1 4.28Å; L189-K194 HydrophobicContact CB-CG 4.38Å; L189-K194 PolarHBondContact O-NZ 3.39Å; L189-L197 HydrophobicContact CD1-CD1 3.74Å; L189-W223 HydrophobicContact CD1-CH2 3.96Å; L189-W223 HydrophobicContact CD1-CZ3 4.48Å
190	S	88.3	Confident	93.7	Very high	52 Å²	52	49.3 Å²	49.3	36%	0.364	26%	0.262	S	S	.	.			trans	-65.2	159.7	175.3	67.7	0	0	0	0	112	M192 V193 K194	S190-M192 PolarHBondContact O-N 3.2Å; S190-V193 PolarHBondContact O-N 3.4Å; S190-V193 VanDerWaalsContact O-N 3.16Å; S190-V193 WeakPolarHBondContact OG-CG2 3.44Å; S190-V193 PolarHBondContact OG-N 3.45Å; S190-K194 PolarHBondContact O-N 2.81Å
191	T	87.7	Confident	93.7	Very high	84 Å²	84	49.4 Å²	49.4	52%	0.515	26%	0.262	S	S	.	.	H	α-helix	trans	-54.9	-39.4	173.6	-50.2	0	0	0	0	111.7	F177 K194 R195	F177-T191 HydrophobicContact CE2-CG2 3.88Å; F177-T191 HydrophobicContact CZ-CG2 3.6Å; T191-K194 PolarHBondContact O-N 2.7Å; T191-R195 WeakPolarHBondContact O-CB 3.22Å; T191-R195 PolarHBondContact O-N 3.12Å
192	M	87.2	Confident	93.9	Very high	23 Å²	23	48.5 Å²	48.5	11%	0.113	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-49	176.2	-171.8	-171.4	-174.1	0	0	111.8	S190 K194 R195 E196 V289 N292 E307	S190-M192 PolarHBondContact O-N 3.2Å; M192-K194 VanDerWaalsContact C-N 3.33Å; M192-K194 PolarHBondContact O-N 3.44Å; M192-R195 PolarHBondContact O-N 2.78Å; M192-E196 PolarHBondContact O-N 3.28Å; M192-V289 HydrophobicContact CE-CG2 4.17Å; M192-V289 HydrophobicContact CG-CG2 4.11Å; M192-V289 HydrophobicContact SD-CB 4.12Å; M192-V289 HydrophobicContact SD-CG1 3.93Å; M192-V289 HydrophobicContact SD-CG2 3.84Å; M192-N292 HydrophobicContact CE-CB 3.59Å; M192-N292 WeakPolarHBondContact CE-ND2 3.33Å; M192-E307 HydrophobicContact SD-CG 4.18Å
193	V	94	Very high	94	Very high	23 Å²	23	43.8 Å²	43.8	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-42.8	177.6	174.3	0	0	0	0	110.5	L189 S190 R195 E196 L197 I285 V289	L189-V193 HydrophobicContact CB-CB 4.18Å; L189-V193 HydrophobicContact CB-CG1 4.01Å; L189-V193 HydrophobicContact CD1-CG1 3.74Å; L189-V193 HydrophobicContact CD2-CG1 4.39Å; L189-V193 HydrophobicContact CG-CG1 4.28Å; S190-V193 PolarHBondContact O-N 3.4Å; S190-V193 VanDerWaalsContact O-N 3.16Å; S190-V193 WeakPolarHBondContact OG-CG2 3.44Å; S190-V193 PolarHBondContact OG-N 3.45Å; V193-R195 PolarHBondContact O-N 3.2Å; V193-E196 PolarHBondContact O-N 2.81Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 HydrophobicContact CG1-CG 4.29Å; V193-L197 WeakPolarHBondContact O-CB 3.23Å; V193-L197 WeakPolarHBondContact O-CG 3.2Å; V193-L197 PolarHBondContact O-N 3.41Å; V193-I285 HydrophobicContact CG1-CG2 4.2Å; V193-V289 HydrophobicContact CG2-CB 4.48Å; V193-V289 HydrophobicContact CG2-CG1 4.11Å; V193-V289 HydrophobicContact CG2-CG2 3.82Å
194	K	95.4	Very high	94.2	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-39.8	177.3	-69.7	-174.3	177.5	90.9	0	112.4	F177 L180 L181 L186 L189 S190 T191 M192 L197 A198	F177-K194 HydrophobicContact CD2-CB 4.25Å; F177-K194 HydrophobicContact CE2-CB 4.05Å; L180-K194 WeakPolarHBondContact CD1-O 3.5Å; L181-K194 HydrophobicContact CD2-CD 3.78Å; L186-K194 WeakPolarHBondContact O-CE 3.48Å; L186-K194 PolarHBondContact O-NZ 2.77Å; L189-K194 HydrophobicContact CB-CG 4.38Å; L189-K194 PolarHBondContact O-NZ 3.39Å; S190-K194 PolarHBondContact O-N 2.81Å; T191-K194 PolarHBondContact O-N 2.7Å; M192-K194 VanDerWaalsContact C-N 3.33Å; M192-K194 PolarHBondContact O-N 3.44Å; K194-L197 WeakPolarHBondContact O-CB 3.39Å; K194-L197 PolarHBondContact O-N 3.1Å; K194-A198 PolarHBondContact O-N 3.46Å
195	R	93.9	Very high	94.4	Very high	119 Å²	119	40.2 Å²	40.2	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-41.5	177.9	-165.9	169.2	-69.4	-95	-3.6	111.7	E174 F177 T191 M192 V193 A198	E174-R195 IonicContact OE1-NH1 3.44Å; E174-R195 IonicContact OE1-NH2 3.97Å; E174-R195 IonicContact OE2-NH1 3.53Å; E174-R195 PolarHBondContact OE2-NH1 2.78Å; E174-R195 VanDerWaalsContact OE2-NH1 3.1Å; F177-R195 HydrophobicContact CD2-CB 3.98Å; F177-R195 HydrophobicContact CD2-CG 4.42Å; F177-R195 HydrophobicContact CE2-CB 4.09Å; T191-R195 WeakPolarHBondContact O-CB 3.22Å; T191-R195 PolarHBondContact O-N 3.12Å; M192-R195 PolarHBondContact O-N 2.78Å; V193-R195 PolarHBondContact O-N 3.2Å; R195-A198 WeakPolarHBondContact O-CB 3.32Å; R195-A198 PolarHBondContact O-N 3.31Å
196	E	95.5	Very high	94.6	Very high	57 Å²	57	42 Å²	42	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-43.7	171.5	-76.9	-64.3	109.7	0	0	111.8	M192 V193 A198 S199 I285	M192-E196 PolarHBondContact O-N 3.28Å; V193-E196 PolarHBondContact O-N 2.81Å; E196-A198 VanDerWaalsContact C-N 3.31Å; E196-A198 PolarHBondContact O-N 3.24Å; E196-S199 WeakPolarHBondContact O-CB 3.32Å; E196-S199 PolarHBondContact O-N 3.06Å; E196-S199 PolarHBondContact O-OG 3.33Å; E196-I285 HydrophobicContact CB-CD1 3.96Å; E196-I285 HydrophobicContact CB-CG1 3.9Å; E196-I285 HydrophobicContact CB-CG2 3.96Å
197	L	97.6	Very high	94.7	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-39.5	176.2	-76	171.5	0	0	0	112.2	L180 L186 L189 V193 K194 S199 V200 V201 W223 V277 I285	L180-L197 HydrophobicContact CD1-CB 3.85Å; L186-L197 HydrophobicContact CD2-CD1 4.21Å; L189-L197 HydrophobicContact CD1-CD1 3.74Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 HydrophobicContact CG1-CG 4.29Å; V193-L197 WeakPolarHBondContact O-CB 3.23Å; V193-L197 WeakPolarHBondContact O-CG 3.2Å; V193-L197 PolarHBondContact O-N 3.41Å; K194-L197 WeakPolarHBondContact O-CB 3.39Å; K194-L197 PolarHBondContact O-N 3.1Å; L197-S199 PolarHBondContact O-N 2.93Å; L197-S199 VanDerWaalsContact O-N 3.13Å; L197-V200 PolarHBondContact O-N 3.19Å; L197-V201 VanDerWaalsContact O-CB 3.28Å; L197-V201 WeakPolarHBondContact O-CB 3.39Å; L197-V201 VanDerWaalsContact O-CG1 3.32Å; L197-V201 WeakPolarHBondContact O-CG1 3.17Å; L197-V201 PolarHBondContact O-N 3.49Å; L197-W223 HydrophobicContact CD1-CZ3 4.37Å; L197-W223 HydrophobicContact CD2-CZ3 4.37Å; L197-V277 HydrophobicContact CD2-CG1 4.09Å; L197-V277 HydrophobicContact CD2-CG2 3.67Å; L197-I285 HydrophobicContact CD2-CD1 3.73Å; L197-I285 HydrophobicContact CG-CD1 4.08Å
198	A	97.8	Very high	94.9	Very high	2 Å²	2	48 Å²	48	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-32.7	178.8	0	0	0	0	0	112.6	R168 V176 F177 L180 K194 R195 E196 V200	R168-A198 PolarHBondContact NH1-O 3.44Å; V176-A198 HydrophobicContact CB-CB 4.13Å; V176-A198 HydrophobicContact CG1-CB 3.69Å; F177-A198 HydrophobicContact CB-CB 3.98Å; L180-A198 HydrophobicContact CD1-CB 4.01Å; K194-A198 PolarHBondContact O-N 3.46Å; R195-A198 WeakPolarHBondContact O-CB 3.32Å; R195-A198 PolarHBondContact O-N 3.31Å; E196-A198 VanDerWaalsContact C-N 3.31Å; E196-A198 PolarHBondContact O-N 3.24Å; A198-V200 PolarHBondContact O-N 3.31Å
199	S	96.8	Very high	95.4	Very high	34 Å²	34	44.1 Å²	44.1	24%	0.238	23%	0.23	C	C	.	.	H	α-helix	trans	-72.4	-24.1	178.7	76.8	0	0	0	0	114.4	S165 E196 L197	S165-S199 WeakPolarHBondContact CB-O 3.47Å; E196-S199 WeakPolarHBondContact O-CB 3.32Å; E196-S199 PolarHBondContact O-N 3.06Å; E196-S199 PolarHBondContact O-OG 3.33Å; L197-S199 PolarHBondContact O-N 2.93Å; L197-S199 VanDerWaalsContact O-N 3.13Å
200	V	97.5	Very high	95.7	Very high	12 Å²	12	45 Å²	45	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-131.8	-13.9	-166.9	-64.1	0	0	0	0	115.9	L197 A198 D281 I285	L197-V200 PolarHBondContact O-N 3.19Å; A198-V200 PolarHBondContact O-N 3.31Å; V200-D281 HydrophobicContact CB-CB 4.07Å; V200-D281 HydrophobicContact CG1-CB 4.5Å; V200-D281 HydrophobicContact CG2-CB 3.89Å; V200-I285 HydrophobicContact CG2-CD1 3.75Å
201	V	98.1	Very high	96.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	24%	0.241	C	C	.	.			trans	-61.7	141.3	176.2	71.3	0	0	0	0	109.7	L161 R168 V176 L180 L197 L275 V277	L161-V201 HydrophobicContact CD1-CG1 4.35Å; L161-V201 HydrophobicContact CD2-CG1 3.7Å; R168-V201 PolarHBondContact NH1-O 3.22Å; R168-V201 PolarHBondContact NH2-O 3.32Å; V176-V201 HydrophobicContact CG1-CG1 4.12Å; L180-V201 HydrophobicContact CD1-CG1 4.46Å; L197-V201 VanDerWaalsContact O-CB 3.28Å; L197-V201 WeakPolarHBondContact O-CB 3.39Å; L197-V201 VanDerWaalsContact O-CG1 3.32Å; L197-V201 WeakPolarHBondContact O-CG1 3.17Å; L197-V201 PolarHBondContact O-N 3.49Å; V201-L275 HydrophobicContact CG2-CB 3.68Å; V201-L275 HydrophobicContact CG2-CD1 4.23Å; V201-L275 HydrophobicContact CG2-CD2 3.98Å; V201-L275 HydrophobicContact CG2-CG 4.18Å; V201-V277 HydrophobicContact CB-CG2 4.49Å; V201-V277 HydrophobicContact CG2-CG2 4.1Å
202	M	97.4	Very high	96.7	Very high	49 Å²	49	43.5 Å²	43.5	24%	0.241	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.1	-177.4	-61.3	-58.6	-67	0	0	110.4	R168 L275 R276	R168-M202 PolarHBondContact NH2-SD 2.85Å; R168-M202 VanDerWaalsContact NH2-SD 3.37Å; M202-L275 CarbonylContact O-C 3.43Å; M202-L275 WeakPolarHBondContact O-CA 3.39Å; M202-R276 PolarHBondContact N-O 3.11Å; M202-R276 PolarHBondContact O-N 2.94Å
203	F	97.3	Very high	97.2	Very high	27 Å²	27	43.7 Å²	43.7	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.7	170.7	179.8	-97.7	0	0	0	110.3	R158 L161 R162 Q205 L227 Q273	R158-F203 HydrophobicContact CB-CE2 4.4Å; R158-F203 HydrophobicContact CG-CD2 4.15Å; R158-F203 HydrophobicContact CG-CE2 3.82Å; R158-F203 HydrophobicContact CG-CZ 4.49Å; L161-F203 HydrophobicContact CB-CB 3.64Å; L161-F203 PolarHBondContact O-N 2.87Å; R162-F203 HydrophobicContact CG-CD1 4.26Å; F203-Q205 HydrophobicContact CE1-CB 3.92Å; F203-Q205 HydrophobicContact CE1-CG 4.14Å; F203-Q205 HydrophobicContact CZ-CB 4.23Å; F203-L227 HydrophobicContact CD2-CD1 4.07Å; F203-L227 HydrophobicContact CE2-CD1 4.15Å; F203-Q273 HydrophobicContact CE2-CB 3.8Å; F203-Q273 HydrophobicContact CE2-CG 4.07Å; F203-Q273 HydrophobicContact CZ-CB 3.96Å; F203-Q273 HydrophobicContact CZ-CG 3.74Å
204	E	97.5	Very high	97.5	Very high	29 Å²	29	43.4 Å²	43.4	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.5	175.6	-174.5	171.3	128.5	0	0	110.2	H206 L213 Q273 F274 R276	E204-H206 IonicContact OE1-CD2 3.73Å; E204-H206 IonicContact OE1-CE1 3.62Å; E204-H206 IonicContact OE1-NE2 2.72Å; E204-H206 PolarHBondContact OE1-NE2 3.41Å; E204-L213 WeakPolarHBondContact OE1-CD1 3.45Å; E204-Q273 WeakPolarHBondContact O-CA 3.47Å; E204-F274 PolarHBondContact N-O 2.87Å; E204-F274 PolarHBondContact O-N 3.31Å; E204-R276 WeakPolarHBondContact OE2-CD 3.44Å; E204-R276 IonicContact OE2-CZ 2.71Å; E204-R276 IonicContact OE2-NE 3.46Å; E204-R276 IonicContact OE2-NH1 3.67Å; E204-R276 PolarHBondContact OE2-NH1 3.41Å
205	Q	97	Very high	97.6	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.9	179.8	65.9	173.6	21.6	0	0	111.6	F203 C272 Q273	F203-Q205 HydrophobicContact CE1-CB 3.92Å; F203-Q205 HydrophobicContact CE1-CG 4.14Å; F203-Q205 HydrophobicContact CZ-CB 4.23Å; Q205-C272 WeakPolarHBondContact CA-O 3.23Å; Q205-Q273 HydrophobicContact CB-CG 4.37Å
206	H	98.1	Very high	97.8	Very high	45 Å²	45	46.7 Å²	46.7	21%	0.208	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.9	179.6	-69.5	-90	0	0	0	109.9	E204 L213 L267 C271 C272 F274	E204-H206 IonicContact OE1-CD2 3.73Å; E204-H206 IonicContact OE1-CE1 3.62Å; E204-H206 IonicContact OE1-NE2 2.72Å; E204-H206 PolarHBondContact OE1-NE2 3.41Å; H206-L213 VanDerWaalsContact NE2-CD1 3.34Å; H206-L213 WeakPolarHBondContact NE2-CD1 3.38Å; H206-L267 HydrophobicContact CB-CD2 3.38Å; H206-C271 CarbonylContact O-C 3.52Å; H206-C271 WeakPolarHBondContact O-CA 3.48Å; H206-C271 PolarHBondContact O-N 3.38Å; H206-C272 PolarHBondContact N-O 3.31Å; H206-C272 PolarHBondContact O-N 2.69Å; H206-F274 AromaticContact CD2-CE2 3.86Å
207	Q	97.7	Very high	98	Very high	97 Å²	97	46.3 Å²	46.3	45%	0.453	26%	0.257	S	S	.	.			trans	-82.5	-33.1	-170.4	-63.6	-58.6	-27.7	0	0	113.8	H270 C271	Q207-H270 WeakPolarHBondContact O-CA 3.34Å; Q207-H270 WeakPolarHBondContact O-CB 3.13Å; Q207-H270 PolarHBondContact O-ND1 3.13Å; Q207-C271 PolarHBondContact O-N 3.37Å; Q207-C271 PolarHBondContact OE1-SG 2.86Å
208	N	98.4	Very high	98	Very high	102 Å²	102	48.9 Å²	48.9	55%	0.545	27%	0.271	S	S	.	.	S	Bend	trans	-108.2	126.9	-165.2	-59.8	-38.2	0	0	0	112.6	T211	N208-T211 VanDerWaalsContact O-CB 3.28Å; N208-T211 WeakPolarHBondContact O-CB 3.27Å; N208-T211 PolarHBondContact O-N 2.99Å; N208-T211 PolarHBondContact O-OG1 3.33Å
209	A	98.4	Very high	98	Very high	38 Å²	38	53.1 Å²	53.1	31%	0.314	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	147.7	162.9	0	0	0	0	0	110.2	T211 E269 H270	A209-T211 PolarHBondContact O-N 3.19Å; A209-E269 WeakPolarHBondContact CA-O 3.5Å; A209-E269 PolarHBondContact N-O 2.86Å; A209-H270 PolarHBondContact N-ND1 3.18Å
210	G	98.3	Very high	98.1	Very high	48 Å²	48	51.9 Å²	51.9	50%	0.495	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6.3	-174.6	0	0	0	0	0	114.8	I212 L267	G210-I212 PolarHBondContact O-N 3.18Å; G210-L267 PolarHBondContact N-O 3.41Å
211	T	98.7	Very high	98.1	Very high	42 Å²	42	58.3 Å²	58.3	26%	0.258	32%	0.317	S	S	.	.			trans	-58.1	127.9	171.2	-62.1	0	0	0	0	110.1	N208 A209 I266 L267	N208-T211 VanDerWaalsContact O-CB 3.28Å; N208-T211 WeakPolarHBondContact O-CB 3.27Å; N208-T211 PolarHBondContact O-N 2.99Å; N208-T211 PolarHBondContact O-OG1 3.33Å; A209-T211 PolarHBondContact O-N 3.19Å; T211-I266 WeakPolarHBondContact O-CA 3.34Å; T211-L267 PolarHBondContact O-N 3.2Å
212	I	98.6	Very high	98.1	Very high	62 Å²	62	58.5 Å²	58.5	32%	0.318	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.6	175.7	-59.5	167.7	0	0	0	108.5	G210 R215 T264 I265 I266	G210-I212 PolarHBondContact O-N 3.18Å; I212-R215 HydrophobicContact CG2-CG 3.94Å; I212-T264 HydrophobicContact CG2-CG2 3.7Å; I212-I265 WeakPolarHBondContact CA-O 3.5Å; I212-I266 HydrophobicContact CG1-CD1 4.33Å; I212-I266 HydrophobicContact CG1-CG1 4.11Å; I212-I266 HydrophobicContact CG1-CG2 4.32Å
213	L	98.1	Very high	98.2	Very high	27 Å²	27	56.4 Å²	56.4	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-41.1	-177.4	-171.6	61.1	0	0	0	111.9	E204 H206 Y224 F250 I265 L267	E204-L213 WeakPolarHBondContact OE1-CD1 3.45Å; H206-L213 VanDerWaalsContact NE2-CD1 3.34Å; H206-L213 WeakPolarHBondContact NE2-CD1 3.38Å; L213-Y224 HydrophobicContact CD1-CE1 4.41Å; L213-Y224 HydrophobicContact CD2-CD1 4.11Å; L213-Y224 HydrophobicContact CD2-CD2 4.43Å; L213-Y224 HydrophobicContact CD2-CE1 4.06Å; L213-Y224 HydrophobicContact CD2-CE2 4.4Å; L213-Y224 HydrophobicContact CD2-CG 4.3Å; L213-F250 HydrophobicContact CD2-CE2 3.53Å; L213-F250 HydrophobicContact CD2-CZ 3.53Å; L213-I265 HydrophobicContact CB-CB 4.32Å; L213-I265 HydrophobicContact CB-CG2 4.11Å; L213-I265 HydrophobicContact CD2-CG2 4.27Å; L213-I265 PolarHBondContact N-O 3.35Å; L213-L267 HydrophobicContact CB-CD1 4.36Å
214	F	98.6	Very high	98.2	Very high	18 Å²	18	56 Å²	56	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	161.2	166.9	53.1	-104.8	0	0	0	110.4	Y224 F250 R261 A263 T264 I265	F214-Y224 HydrophobicContact CD1-CE2 4.14Å; F214-Y224 HydrophobicContact CE1-CD2 4.02Å; F214-Y224 AromaticContact CE1-CE2 3.8Å; F214-Y224 HydrophobicContact CE1-CE2 3.8Å; F214-F250 AromaticContact CE1-CD2 3.95Å; F214-F250 HydrophobicContact CE1-CD2 3.95Å; F214-F250 AromaticContact CE1-CE2 3.82Å; F214-F250 HydrophobicContact CE1-CE2 3.82Å; F214-F250 AromaticContact CZ-CD2 3.84Å; F214-F250 HydrophobicContact CZ-CD2 3.84Å; F214-F250 HydrophobicContact CZ-CE2 4.16Å; F214-R261 HydrophobicContact CD2-CB 4.05Å; F214-R261 HydrophobicContact CD2-CG 3.55Å; F214-R261 HydrophobicContact CE2-CB 4.23Å; F214-R261 HydrophobicContact CE2-CG 3.89Å; F214-R261 HydrophobicContact CG-CG 4.17Å; F214-A263 WeakPolarHBondContact CE2-O 3.34Å; F214-T264 WeakPolarHBondContact O-CA 3.26Å; F214-T264 WeakPolarHBondContact O-CG2 3.35Å; F214-I265 HydrophobicContact CD2-CB 4.45Å; F214-I265 HydrophobicContact CD2-CG1 4.17Å; F214-I265 HydrophobicContact CE1-CB 4.36Å; F214-I265 HydrophobicContact CE1-CG1 4.01Å; F214-I265 HydrophobicContact CE2-CB 4.11Å; F214-I265 HydrophobicContact CE2-CG1 3.38Å; F214-I265 HydrophobicContact CZ-CB 4.07Å; F214-I265 HydrophobicContact CZ-CD1 4.48Å; F214-I265 HydrophobicContact CZ-CG1 3.29Å; F214-I265 PolarHBondContact O-N 2.64Å
215	R	98.6	Very high	98.3	Very high	125 Å²	125	54.8 Å²	54.8	47%	0.472	30%	0.301	S	S	.	.			trans	-102.6	152	179.7	-71.9	163.2	-179.9	63.5	-0.7	111.8	I212 G217 D218 R261 T264	I212-R215 HydrophobicContact CG2-CG 3.94Å; R215-G217 PolarHBondContact O-N 3.27Å; R215-D218 WeakPolarHBondContact CB-OD2 3.35Å; R215-D218 PolarHBondContact N-OD2 3.26Å; R215-D218 VanDerWaalsContact O-CB 3.25Å; R215-D218 WeakPolarHBondContact O-CB 3.22Å; R215-D218 PolarHBondContact O-N 3.16Å; R215-D218 VanDerWaalsContact O-N 3.09Å; R215-R261 VanDerWaalsContact O-CB 3.29Å; R215-R261 WeakPolarHBondContact O-CB 3.49Å; R215-T264 WeakPolarHBondContact CA-OG1 3.36Å; R215-T264 HydrophobicContact CG-CG2 4.26Å
216	Q	98.6	Very high	98.4	Very high	77 Å²	77	51 Å²	51	36%	0.36	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	135.4	164.7	-177.9	177.8	-13.1	0	0	109.8	D218 R261 A263 T264	Q216-D218 VanDerWaalsContact C-N 3.3Å; Q216-R261 CarbonylContact C-O 3.6Å; Q216-R261 WeakPolarHBondContact CA-O 3.41Å; Q216-R261 WeakPolarHBondContact CG-O 3.38Å; Q216-A263 PolarHBondContact N-O 3.27Å; Q216-T264 PolarHBondContact N-OG1 3.19Å
217	G	98.4	Very high	98.3	Very high	49 Å²	49	50.7 Å²	50.7	51%	0.505	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-14.5	-176	0	0	0	0	0	114.8	R215 R261	R215-G217 PolarHBondContact O-N 3.27Å; G217-R261 PolarHBondContact N-O 3.36Å
218	D	98.6	Very high	98.2	Very high	61 Å²	61	50.5 Å²	50.5	33%	0.326	28%	0.28	S	S	.	.	S	Bend	trans	-64.7	155	174.6	-70.5	-12.3	0	0	0	110.9	R215 Q216 G220 P260 R261	R215-D218 WeakPolarHBondContact CB-OD2 3.35Å; R215-D218 PolarHBondContact N-OD2 3.26Å; R215-D218 VanDerWaalsContact O-CB 3.25Å; R215-D218 WeakPolarHBondContact O-CB 3.22Å; R215-D218 PolarHBondContact O-N 3.16Å; R215-D218 VanDerWaalsContact O-N 3.09Å; Q216-D218 VanDerWaalsContact C-N 3.3Å; D218-G220 PolarHBondContact O-N 3.48Å; D218-P260 CarbonylContact O-C 3.57Å; D218-P260 WeakPolarHBondContact O-CA 3.4Å; D218-R261 HydrophobicContact CB-CG 4.08Å; D218-R261 WeakPolarHBondContact O-CG 3.46Å; D218-R261 PolarHBondContact O-N 3.07Å
219	P	98.3	Very high	98.1	Very high	91 Å²	91	45.8 Å²	45.8	59%	0.591	26%	0.256	S	S	*	.	B	Isolated β-bridge	trans	-60	134.6	169.4	-24.1	34.6	0	0	0	112.4	K221	P219-K221 PolarHBondContact O-N 2.98Å
220	G	97.7	Very high	98.2	Very high	7 Å²	7	44 Å²	44	7%	0.072	24%	0.241	C	C	.	.			trans	-70.2	107.5	171.4	0	0	0	0	0	111.7	D218 L255 K279	D218-G220 PolarHBondContact O-N 3.48Å; G220-L255 WeakPolarHBondContact O-CD2 3.36Å; G220-K279 WeakPolarHBondContact O-CD 3.49Å
221	K	97.9	Very high	98.2	Very high	147 Å²	147	41.7 Å²	41.7	64%	0.639	22%	0.218	S	C	*	.			trans	-110.7	-25.4	-176.9	-65.6	-176.9	-177.7	-179.9	0	115.3	P219 K279	P219-K221 PolarHBondContact O-N 2.98Å; K221-K279 VanDerWaalsContact O-CB 3.25Å; K221-K279 WeakPolarHBondContact O-CB 3.42Å; K221-K279 PolarHBondContact O-N 3.25Å
222	S	98.4	Very high	98.2	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.4	-176.5	-41.9	0	0	0	0	111.7	R261 V277 D278	S222-R261 PolarHBondContact O-NH1 3.46Å; S222-R261 PolarHBondContact O-NH2 3.37Å; S222-V277 CarbonylContact C-O 3.2Å; S222-V277 VanDerWaalsContact CA-O 3.22Å; S222-V277 WeakPolarHBondContact CA-O 3.38Å; S222-V277 WeakPolarHBondContact CB-O 3.41Å; S222-D278 WeakPolarHBondContact CB-OD1 3.5Å; S222-D278 PolarHBondContact OG-OD1 2.97Å
223	W	98.5	Very high	98.2	Very high	5 Å²	5	39 Å²	39	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.5	169.2	170.1	40.4	0	0	0	108.7	L186 L189 L197 I225 D249 F250 K252 L255 R276 V277 F282	L186-W223 HydrophobicContact CD2-CH2 3.52Å; L186-W223 HydrophobicContact CD2-CZ2 4.12Å; L186-W223 HydrophobicContact CD2-CZ3 4.42Å; L189-W223 HydrophobicContact CD1-CH2 3.96Å; L189-W223 HydrophobicContact CD1-CZ3 4.48Å; L197-W223 HydrophobicContact CD1-CZ3 4.37Å; L197-W223 HydrophobicContact CD2-CZ3 4.37Å; W223-I225 HydrophobicContact CH2-CD1 4.09Å; W223-I225 HydrophobicContact CZ2-CD1 3.98Å; W223-I225 HydrophobicContact CZ2-CG1 3.99Å; W223-D249 HydrophobicContact CZ2-CB 4.39Å; W223-D249 PolarHBondContact NE1-OD2 3.47Å; W223-F250 VanDerWaalsContact CD1-O 3.31Å; W223-K252 HydrophobicContact CG-CB 4.16Å; W223-K252 HydrophobicContact CG-CG 4.49Å; W223-K252 HydrophobicContact CZ2-CD 4.47Å; W223-L255 HydrophobicContact CB-CD1 3.76Å; W223-R276 WeakPolarHBondContact O-CA 3.34Å; W223-V277 HydrophobicContact CB-CB 4.5Å; W223-V277 HydrophobicContact CE3-CB 4.08Å; W223-V277 HydrophobicContact CE3-CG2 3.98Å; W223-V277 HydrophobicContact CZ3-CG2 4.36Å; W223-V277 PolarHBondContact N-O 3.2Å; W223-V277 PolarHBondContact O-N 3.2Å; W223-F282 HydrophobicContact CE3-CD2 4.03Å; W223-F282 HydrophobicContact CE3-CE2 4.18Å
224	Y	98.7	Very high	98.2	Very high	18 Å²	18	39.3 Å²	39.3	7%	0.071	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.6	-174.6	-60.2	-94.5	0	0	0	111.4	L213 F214 D249 F250 F274 L275 R276	L213-Y224 HydrophobicContact CD1-CE1 4.41Å; L213-Y224 HydrophobicContact CD2-CD1 4.11Å; L213-Y224 HydrophobicContact CD2-CD2 4.43Å; L213-Y224 HydrophobicContact CD2-CE1 4.06Å; L213-Y224 HydrophobicContact CD2-CE2 4.4Å; L213-Y224 HydrophobicContact CD2-CG 4.3Å; F214-Y224 HydrophobicContact CD1-CE2 4.14Å; F214-Y224 HydrophobicContact CE1-CD2 4.02Å; F214-Y224 AromaticContact CE1-CE2 3.8Å; F214-Y224 HydrophobicContact CE1-CE2 3.8Å; Y224-D249 CarbonylContact O-C 3.53Å; Y224-D249 VanDerWaalsContact O-CA 3.26Å; Y224-D249 WeakPolarHBondContact O-CA 3.22Å; Y224-D249 WeakPolarHBondContact O-CB 3.43Å; Y224-F250 VanDerWaalsContact CB-CE2 3.46Å; Y224-F250 VanDerWaalsContact CB-CZ 3.44Å; Y224-F250 HydrophobicContact CD2-CD2 4.08Å; Y224-F250 AromaticContact CD2-CE2 3.56Å; Y224-F250 HydrophobicContact CD2-CE2 3.56Å; Y224-F250 HydrophobicContact CD2-CZ 4.3Å; Y224-F250 HydrophobicContact CE2-CE2 4.44Å; Y224-F250 HydrophobicContact CG-CD2 4.36Å; Y224-F250 AromaticContact CG-CE2 3.61Å; Y224-F250 HydrophobicContact CG-CE2 3.61Å; Y224-F250 AromaticContact CG-CZ 3.88Å; Y224-F250 HydrophobicContact CG-CZ 3.88Å; Y224-F250 PolarHBondContact N-O 3.36Å; Y224-F250 PolarHBondContact O-N 2.97Å; Y224-F274 HydrophobicContact CD1-CB 4.19Å; Y224-L275 CarbonylContact C-O 3.51Å; Y224-L275 VanDerWaalsContact CA-O 3.23Å; Y224-L275 WeakPolarHBondContact CA-O 3.44Å; Y224-R276 HydrophobicContact CD1-CB 4.09Å; Y224-R276 HydrophobicContact CD1-CG 3.93Å; Y224-R276 HydrophobicContact CE1-CB 4.06Å; Y224-R276 HydrophobicContact CE1-CG 3.55Å
225	I	98.6	Very high	98.2	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	170.9	-57.4	150.3	0	0	0	107.6	I183 A185 L186 W223 L227 D249 F274 L275	I183-I225 HydrophobicContact CG2-CG2 3.87Å; A185-I225 HydrophobicContact CB-CG1 4.2Å; A185-I225 HydrophobicContact CB-CG2 3.65Å; L186-I225 HydrophobicContact CD1-CD1 4.26Å; L186-I225 HydrophobicContact CD2-CD1 3.48Å; L186-I225 VanDerWaalsContact CD2-CD1 3.48Å; L186-I225 HydrophobicContact CG-CD1 4Å; W223-I225 HydrophobicContact CH2-CD1 4.09Å; W223-I225 HydrophobicContact CZ2-CD1 3.98Å; W223-I225 HydrophobicContact CZ2-CG1 3.99Å; I225-L227 PolarHBondContact O-N 2.9Å; I225-D249 HydrophobicContact CG1-CB 3.91Å; I225-F274 CarbonylContact O-C 3.59Å; I225-F274 WeakPolarHBondContact O-CA 3.21Å; I225-L275 HydrophobicContact CB-CB 4.17Å; I225-L275 HydrophobicContact CD1-CB 4.31Å; I225-L275 HydrophobicContact CD1-CD1 4.33Å; I225-L275 PolarHBondContact N-O 3.05Å; I225-L275 PolarHBondContact O-N 3.16Å
226	I	98.2	Very high	98.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.5	-176.4	-51.4	-178.4	0	0	0	109.3	G229 V231 L244 H245 E246 G247 D248 F250 F274	I226-G229 VanDerWaalsContact CG2-O 3.3Å; I226-G229 WeakPolarHBondContact CG2-O 3.38Å; I226-V231 HydrophobicContact CD1-CG2 3.85Å; I226-L244 HydrophobicContact CD1-CB 3.8Å; I226-H245 WeakPolarHBondContact CB-O 3.44Å; I226-H245 WeakPolarHBondContact CD1-O 3.5Å; I226-E246 HydrophobicContact CG2-CG 4.43Å; I226-G247 PolarHBondContact O-N 3.19Å; I226-D248 HydrophobicContact CD1-CB 4.46Å; I226-D248 PolarHBondContact N-O 2.81Å; I226-F250 HydrophobicContact CD1-CD1 4.12Å; I226-F250 HydrophobicContact CD1-CE1 3.92Å; I226-F250 HydrophobicContact CG1-CD1 4.11Å; I226-F250 HydrophobicContact CG1-CE1 3.7Å; I226-F274 HydrophobicContact CB-CD1 4.46Å; I226-F274 HydrophobicContact CG1-CD1 4.06Å; I226-F274 HydrophobicContact CG1-CE1 3.95Å; I226-F274 HydrophobicContact CG2-CE1 4.37Å
227	L	96.5	Very high	98	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.199	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-41.8	170.7	-66.2	-178.3	0	0	0	111.5	F157 I183 F203 I225 Q273 L275	F157-L227 HydrophobicContact CE1-CD1 4.1Å; F157-L227 HydrophobicContact CE1-CD2 4.43Å; I183-L227 HydrophobicContact CD1-CD2 4.11Å; F203-L227 HydrophobicContact CD2-CD1 4.07Å; F203-L227 HydrophobicContact CE2-CD1 4.15Å; I225-L227 PolarHBondContact O-N 2.9Å; L227-Q273 HydrophobicContact CB-CB 4.19Å; L227-Q273 PolarHBondContact N-O 3Å; L227-L275 HydrophobicContact CD1-CD2 3.71Å; L227-L275 HydrophobicContact CD1-CG 3.84Å; L227-L275 HydrophobicContact CD2-CD1 4.06Å; L227-L275 HydrophobicContact CD2-CD2 4.47Å; L227-L275 HydrophobicContact CD2-CG 3.85Å; L227-L275 HydrophobicContact CG-CD2 4.31Å; L227-L275 HydrophobicContact CG-CG 3.86Å
228	K	95.7	Very high	98	Very high	92 Å²	92	47.7 Å²	47.7	40%	0.4	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.3	-179.3	-171.6	174.5	179.9	171.9	0	111.9	E246 C272 Q273	K228-E246 VanDerWaalsContact CA-OE1 3.28Å; K228-E246 WeakPolarHBondContact CA-OE1 3.28Å; K228-C272 VanDerWaalsContact O-CA 3.26Å; K228-C272 WeakPolarHBondContact O-CA 3.39Å; K228-Q273 HydrophobicContact CB-CB 3.88Å; K228-Q273 HydrophobicContact CB-CG 4.01Å; K228-Q273 PolarHBondContact N-O 3.43Å; K228-Q273 VanDerWaalsContact N-O 3.14Å; K228-Q273 PolarHBondContact O-N 3.16Å
229	G	97.8	Very high	98	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	26%	0.259	C	S	.	.	S	Bend	trans	86.6	-162.6	175.9	0	0	0	0	0	114.4	I226 E246	I226-G229 VanDerWaalsContact CG2-O 3.3Å; I226-G229 WeakPolarHBondContact CG2-O 3.38Å; G229-E246 PolarHBondContact N-OE1 3.45Å; G229-E246 PolarHBondContact O-N 3.12Å
230	S	98.6	Very high	98	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	26%	0.256	C	S	.	.			trans	-141.2	159.5	-178.2	60	0	0	0	0	113.1	L244 N268 E269	S230-L244 CarbonylContact C-O 3.55Å; S230-L244 WeakPolarHBondContact CA-O 3.38Å; S230-L244 WeakPolarHBondContact CB-O 3.39Å; S230-N268 WeakPolarHBondContact O-CB 3.33Å; S230-N268 PolarHBondContact O-N 2.87Å; S230-N268 WeakPolarHBondContact OG-CB 3.37Å; S230-N268 PolarHBondContact OG-ND2 3.24Å; S230-E269 WeakPolarHBondContact CB-OE1 3.49Å; S230-E269 PolarHBondContact N-OE1 3.3Å; S230-E269 PolarHBondContact OG-OE1 2.8Å
231	V	98.8	Very high	98	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.4	177.8	-56.3	0	0	0	0	111.7	I226 T243 L244 F250 I265 I266 L267 F274	I226-V231 HydrophobicContact CD1-CG2 3.85Å; V231-T243 CarbonylContact O-C 3.57Å; V231-T243 WeakPolarHBondContact O-CA 3.34Å; V231-L244 HydrophobicContact CG2-CB 3.96Å; V231-L244 HydrophobicContact CG2-CD1 4.4Å; V231-L244 PolarHBondContact N-O 3.44Å; V231-L244 PolarHBondContact O-N 2.95Å; V231-F250 HydrophobicContact CG1-CE1 4.46Å; V231-F250 HydrophobicContact CG2-CD1 4.08Å; V231-F250 HydrophobicContact CG2-CE1 3.89Å; V231-I265 HydrophobicContact CB-CG2 3.83Å; V231-I265 HydrophobicContact CG1-CG2 4.1Å; V231-I265 HydrophobicContact CG2-CG2 3.91Å; V231-I266 CarbonylContact C-O 3.51Å; V231-I266 VanDerWaalsContact CA-O 3.29Å; V231-I266 WeakPolarHBondContact CA-O 3.48Å; V231-I266 WeakPolarHBondContact CB-O 3.14Å; V231-L267 HydrophobicContact CG1-CD1 4.25Å; V231-L267 HydrophobicContact CG1-CG 4.37Å; V231-F274 HydrophobicContact CG1-CE1 3.85Å; V231-F274 HydrophobicContact CG1-CZ 3.77Å
232	N	98.8	Very high	98	Very high	30 Å²	30	45 Å²	45	16%	0.16	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.2	172.4	-69.8	-38.8	0	0	0	110.6	V234 V240 T243 I266 N268	N232-V234 HydrophobicContact CB-CG2 4.39Å; N232-V240 HydrophobicContact CB-CG1 4.16Å; N232-T243 WeakPolarHBondContact OD1-CG2 3.3Å; N232-T243 PolarHBondContact OD1-OG1 2.89Å; N232-I266 PolarHBondContact N-O 2.91Å; N232-I266 PolarHBondContact O-N 3.06Å; N232-I266 VanDerWaalsContact O-N 3.09Å; N232-N268 PolarHBondContact ND2-OD1 3.49Å
233	V	98.7	Very high	98	Very high	18 Å²	18	47.1 Å²	47.1	11%	0.109	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.7	172.6	-173.2	0	0	0	0	108.3	V240 V241 C242 L244 A263 I265	V233-V240 WeakPolarHBondContact O-CA 3.42Å; V233-V241 HydrophobicContact CB-CG2 3.97Å; V233-V241 HydrophobicContact CG1-CG2 3.76Å; V233-V241 WeakPolarHBondContact O-CG2 3.26Å; V233-V241 PolarHBondContact O-N 3.05Å; V233-C242 PolarHBondContact N-O 3.06Å; V233-L244 HydrophobicContact CG2-CD1 3.74Å; V233-L244 HydrophobicContact CG2-CG 3.83Å; V233-A263 HydrophobicContact CG1-CB 3.5Å; V233-I265 HydrophobicContact CB-CD1 4.32Å; V233-I265 HydrophobicContact CG1-CD1 4.3Å; V233-I265 HydrophobicContact CG2-CD1 3.81Å
234	V	98.7	Very high	98	Very high	33 Å²	33	48.4 Å²	48.4	20%	0.2	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125	-174.1	-173.3	0	0	0	0	110.5	N232 G239 V240 A263 T264 I266	N232-V234 HydrophobicContact CB-CG2 4.39Å; V234-G239 WeakPolarHBondContact CA-O 3.5Å; V234-V240 HydrophobicContact CG2-CG2 4.06Å; V234-A263 WeakPolarHBondContact O-CA 3.31Å; V234-T264 PolarHBondContact N-O 3.41Å; V234-T264 PolarHBondContact O-N 3.04Å; V234-I266 HydrophobicContact CG2-CD1 3.89Å; V234-I266 HydrophobicContact CG2-CG1 4.21Å
235	I	98.4	Very high	98	Very high	41 Å²	41	52.3 Å²	52.3	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.7	178	-62	178.8	0	0	0	109.5	G237 K238 G239 V241 A263	I235-G237 PolarHBondContact O-N 3.25Å; I235-K238 HydrophobicContact CB-CB 4.19Å; I235-K238 HydrophobicContact CB-CD 4.46Å; I235-K238 HydrophobicContact CG2-CB 4.4Å; I235-K238 HydrophobicContact CG2-CD 4.15Å; I235-K238 HydrophobicContact CG2-CG 4.34Å; I235-K238 PolarHBondContact O-N 3.15Å; I235-G239 PolarHBondContact N-O 2.89Å; I235-G239 PolarHBondContact O-N 2.9Å; I235-V241 HydrophobicContact CB-CG1 4.22Å; I235-V241 HydrophobicContact CD1-CG1 4.09Å; I235-V241 HydrophobicContact CD1-CG2 3.94Å; I235-V241 HydrophobicContact CG1-CG1 4.23Å; I235-V241 HydrophobicContact CG1-CG2 4.11Å; I235-A263 HydrophobicContact CD1-CB 4.41Å; I235-A263 HydrophobicContact CG1-CB 3.7Å
236	H	96.7	Very high	97.9	Very high	166 Å²	166	57.7 Å²	57.7	77%	0.769	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	130.8	176.5	-175	76.5	0	0	0	111	K238	H236-K238 PolarHBondContact O-N 3.11Å
237	G	97.1	Very high	97.7	Very high	80 Å²	80	58.5 Å²	58.5	83%	0.825	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-8.3	-175.4	0	0	0	0	0	115.6	I235	I235-G237 PolarHBondContact O-N 3.25Å
238	K	97.5	Very high	97.8	Very high	158 Å²	158	59.2 Å²	59.2	69%	0.687	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-20.8	176.7	-62.7	-175.1	178.6	-178.9	0	114.1	I235 H236 V241	I235-K238 HydrophobicContact CB-CB 4.19Å; I235-K238 HydrophobicContact CB-CD 4.46Å; I235-K238 HydrophobicContact CG2-CB 4.4Å; I235-K238 HydrophobicContact CG2-CD 4.15Å; I235-K238 HydrophobicContact CG2-CG 4.34Å; I235-K238 PolarHBondContact O-N 3.15Å; H236-K238 PolarHBondContact O-N 3.11Å; K238-V241 HydrophobicContact CB-CG1 3.85Å; K238-V241 HydrophobicContact CD-CG1 4.31Å
239	G	97.5	Very high	97.9	Very high	36 Å²	36	57.3 Å²	57.3	37%	0.371	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-150.3	-174.9	0	0	0	0	0	112	V234 I235 V241	V234-G239 WeakPolarHBondContact CA-O 3.5Å; I235-G239 PolarHBondContact N-O 2.89Å; I235-G239 PolarHBondContact O-N 2.9Å; G239-V241 PolarHBondContact O-N 3.47Å
240	V	98.2	Very high	97.9	Very high	88 Å²	88	57.8 Å²	57.8	53%	0.533	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.9	174.7	-177.4	0	0	0	0	108.5	N232 V233 V234	N232-V240 HydrophobicContact CB-CG1 4.16Å; V233-V240 WeakPolarHBondContact O-CA 3.42Å; V234-V240 HydrophobicContact CG2-CG2 4.06Å
241	V	98	Very high	97.8	Very high	68 Å²	68	58.6 Å²	58.6	41%	0.412	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-29	-178.8	-64.8	0	0	0	0	113.1	V233 I235 K238 G239	V233-V241 HydrophobicContact CB-CG2 3.97Å; V233-V241 HydrophobicContact CG1-CG2 3.76Å; V233-V241 WeakPolarHBondContact O-CG2 3.26Å; V233-V241 PolarHBondContact O-N 3.05Å; I235-V241 HydrophobicContact CB-CG1 4.22Å; I235-V241 HydrophobicContact CD1-CG1 4.09Å; I235-V241 HydrophobicContact CD1-CG2 3.94Å; I235-V241 HydrophobicContact CG1-CG1 4.23Å; I235-V241 HydrophobicContact CG1-CG2 4.11Å; K238-V241 HydrophobicContact CB-CG1 3.85Å; K238-V241 HydrophobicContact CD-CG1 4.31Å; G239-V241 PolarHBondContact O-N 3.47Å
242	C	98.1	Very high	97.7	Very high	58 Å²	58	61.3 Å²	61.3	39%	0.392	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	168.3	171.4	61.3	0	0	0	0	110.9	V233	V233-C242 PolarHBondContact N-O 3.06Å
243	T	98.6	Very high	97.6	Very high	51 Å²	51	64.9 Å²	64.9	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130	170.5	-53.9	0	0	0	0	108.3	V231 N232 H245	V231-T243 CarbonylContact O-C 3.57Å; V231-T243 WeakPolarHBondContact O-CA 3.34Å; N232-T243 WeakPolarHBondContact OD1-CG2 3.3Å; N232-T243 PolarHBondContact OD1-OG1 2.89Å; T243-H245 PolarHBondContact O-CE1 2.68Å; T243-H245 PolarHBondContact O-ND1 2.82Å
244	L	98.5	Very high	97.5	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.3	177	-56.4	177.5	0	0	0	109.4	I226 S230 V231 V233 D248 F250	I226-L244 HydrophobicContact CD1-CB 3.8Å; S230-L244 CarbonylContact C-O 3.55Å; S230-L244 WeakPolarHBondContact CA-O 3.38Å; S230-L244 WeakPolarHBondContact CB-O 3.39Å; V231-L244 HydrophobicContact CG2-CB 3.96Å; V231-L244 HydrophobicContact CG2-CD1 4.4Å; V231-L244 PolarHBondContact N-O 3.44Å; V231-L244 PolarHBondContact O-N 2.95Å; V233-L244 HydrophobicContact CG2-CD1 3.74Å; V233-L244 HydrophobicContact CG2-CG 3.83Å; L244-D248 WeakPolarHBondContact CA-OD2 3.47Å; L244-D248 HydrophobicContact CB-CB 4.04Å; L244-D248 HydrophobicContact CD2-CB 4.44Å; L244-F250 HydrophobicContact CD1-CB 3.78Å; L244-F250 HydrophobicContact CD1-CD1 4.1Å; L244-F250 HydrophobicContact CD1-CG 4.32Å
245	H	98.2	Very high	97.5	Very high	100 Å²	100	63 Å²	63	46%	0.463	36%	0.36	S	S	.	.			trans	-126.1	180	-172.1	-56.5	81	0	0	0	111.2	I226 T243 G247 D248	I226-H245 WeakPolarHBondContact CB-O 3.44Å; I226-H245 WeakPolarHBondContact CD1-O 3.5Å; T243-H245 PolarHBondContact O-CE1 2.68Å; T243-H245 PolarHBondContact O-ND1 2.82Å; H245-G247 PolarHBondContact O-N 3.1Å; H245-D248 PolarHBondContact N-OD2 3.1Å; H245-D248 VanDerWaalsContact O-CB 3.26Å; H245-D248 WeakPolarHBondContact O-CB 3.32Å; H245-D248 PolarHBondContact O-N 3.09Å
246	E	96.3	Very high	97.3	Very high	116 Å²	116	65.1 Å²	65.1	54%	0.542	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	130.4	174.5	-59.6	-177.5	175.6	0	0	112.2	I226 K228 G229 D248	I226-E246 HydrophobicContact CG2-CG 4.43Å; K228-E246 VanDerWaalsContact CA-OE1 3.28Å; K228-E246 WeakPolarHBondContact CA-OE1 3.28Å; G229-E246 PolarHBondContact N-OE1 3.45Å; G229-E246 PolarHBondContact O-N 3.12Å; E246-D248 VanDerWaalsContact C-N 3.35Å
247	G	95.4	Very high	97.2	Very high	19 Å²	19	62 Å²	62	20%	0.196	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-7.3	-176.1	0	0	0	0	0	115.5	A185 I226 H245	A185-G247 WeakPolarHBondContact CB-O 3.02Å; A185-G247 PolarHBondContact N-O 2.99Å; I226-G247 PolarHBondContact O-N 3.19Å; H245-G247 PolarHBondContact O-N 3.1Å
248	D	97.7	Very high	97.1	Very high	53 Å²	53	64 Å²	64	28%	0.283	36%	0.355	S	S	.	.			trans	-84.3	162.2	169.7	-64.4	-33.7	0	0	0	111.6	I226 L244 H245 E246	I226-D248 HydrophobicContact CD1-CB 4.46Å; I226-D248 PolarHBondContact N-O 2.81Å; L244-D248 WeakPolarHBondContact CA-OD2 3.47Å; L244-D248 HydrophobicContact CB-CB 4.04Å; L244-D248 HydrophobicContact CD2-CB 4.44Å; H245-D248 PolarHBondContact N-OD2 3.1Å; H245-D248 VanDerWaalsContact O-CB 3.26Å; H245-D248 WeakPolarHBondContact O-CB 3.32Å; H245-D248 PolarHBondContact O-N 3.09Å; E246-D248 VanDerWaalsContact C-N 3.35Å
249	D	98	Very high	97.1	Very high	53 Å²	53	58.2 Å²	58.2	28%	0.283	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.3	175.1	83.9	-87.8	0	0	0	112.6	A185 W223 Y224 I225	A185-D249 HydrophobicContact CB-CB 4Å; W223-D249 HydrophobicContact CZ2-CB 4.39Å; W223-D249 PolarHBondContact NE1-OD2 3.47Å; Y224-D249 CarbonylContact O-C 3.53Å; Y224-D249 VanDerWaalsContact O-CA 3.26Å; Y224-D249 WeakPolarHBondContact O-CA 3.22Å; Y224-D249 WeakPolarHBondContact O-CB 3.43Å; I225-D249 HydrophobicContact CG1-CB 3.91Å
250	F	98.3	Very high	97.1	Very high	13 Å²	13	60.6 Å²	60.6	6%	0.057	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.1	177.8	61.6	-95.1	0	0	0	113.4	L213 F214 W223 Y224 I226 V231 L244 K252 I265 F274	L213-F250 HydrophobicContact CD2-CE2 3.53Å; L213-F250 HydrophobicContact CD2-CZ 3.53Å; F214-F250 AromaticContact CE1-CD2 3.95Å; F214-F250 HydrophobicContact CE1-CD2 3.95Å; F214-F250 AromaticContact CE1-CE2 3.82Å; F214-F250 HydrophobicContact CE1-CE2 3.82Å; F214-F250 AromaticContact CZ-CD2 3.84Å; F214-F250 HydrophobicContact CZ-CD2 3.84Å; F214-F250 HydrophobicContact CZ-CE2 4.16Å; W223-F250 VanDerWaalsContact CD1-O 3.31Å; Y224-F250 VanDerWaalsContact CB-CE2 3.46Å; Y224-F250 VanDerWaalsContact CB-CZ 3.44Å; Y224-F250 HydrophobicContact CD2-CD2 4.08Å; Y224-F250 AromaticContact CD2-CE2 3.56Å; Y224-F250 HydrophobicContact CD2-CE2 3.56Å; Y224-F250 HydrophobicContact CD2-CZ 4.3Å; Y224-F250 HydrophobicContact CE2-CE2 4.44Å; Y224-F250 HydrophobicContact CG-CD2 4.36Å; Y224-F250 AromaticContact CG-CE2 3.61Å; Y224-F250 HydrophobicContact CG-CE2 3.61Å; Y224-F250 AromaticContact CG-CZ 3.88Å; Y224-F250 HydrophobicContact CG-CZ 3.88Å; Y224-F250 PolarHBondContact N-O 3.36Å; Y224-F250 PolarHBondContact O-N 2.97Å; I226-F250 HydrophobicContact CD1-CD1 4.12Å; I226-F250 HydrophobicContact CD1-CE1 3.92Å; I226-F250 HydrophobicContact CG1-CD1 4.11Å; I226-F250 HydrophobicContact CG1-CE1 3.7Å; V231-F250 HydrophobicContact CG1-CE1 4.46Å; V231-F250 HydrophobicContact CG2-CD1 4.08Å; V231-F250 HydrophobicContact CG2-CE1 3.89Å; L244-F250 HydrophobicContact CD1-CB 3.78Å; L244-F250 HydrophobicContact CD1-CD1 4.1Å; L244-F250 HydrophobicContact CD1-CG 4.32Å; F250-K252 VanDerWaalsContact C-N 3.28Å; F250-K252 PolarHBondContact O-N 3.24Å; F250-I265 HydrophobicContact CD2-CD1 4.23Å; F250-I265 HydrophobicContact CD2-CG1 3.88Å; F250-I265 HydrophobicContact CD2-CG2 4.33Å; F250-I265 HydrophobicContact CE2-CB 4.44Å; F250-I265 HydrophobicContact CE2-CG1 4.16Å; F250-I265 HydrophobicContact CE2-CG2 3.87Å; F250-I265 HydrophobicContact CG-CD1 4.38Å; F250-I265 HydrophobicContact CZ-CG2 4.02Å; F250-F274 HydrophobicContact CE1-CD1 4.03Å; F250-F274 AromaticContact CE1-CE1 3.83Å; F250-F274 HydrophobicContact CE1-CE1 3.83Å; F250-F274 AromaticContact CZ-CD1 3.99Å; F250-F274 HydrophobicContact CZ-CD1 3.99Å; F250-F274 AromaticContact CZ-CE1 3.84Å; F250-F274 HydrophobicContact CZ-CE1 3.84Å
251	G	97.4	Very high	97.1	Very high	18 Å²	18	56.9 Å²	56.9	19%	0.186	32%	0.323	C	S	.	.	S	Bend	trans	84.3	-5.9	178.6	0	0	0	0	0	114.7	L253 R261	G251-L253 VanDerWaalsContact C-N 3.34Å; G251-L253 PolarHBondContact O-N 3.44Å; G251-R261 VanDerWaalsContact CA-NH1 3.32Å; G251-R261 PolarHBondContact O-NH1 2.94Å
252	K	96.6	Very high	97.1	Very high	56 Å²	56	56.5 Å²	56.5	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-58.3	-41.5	176.9	-167.5	174.8	-179.4	176.3	0	113	H188 W223 F250 A254 L255 V256 F282	H188-K252 PolarHBondContact NE2-NZ 2.81Å; H188-K252 VanDerWaalsContact NE2-NZ 3.19Å; W223-K252 HydrophobicContact CG-CB 4.16Å; W223-K252 HydrophobicContact CG-CG 4.49Å; W223-K252 HydrophobicContact CZ2-CD 4.47Å; F250-K252 VanDerWaalsContact C-N 3.28Å; F250-K252 PolarHBondContact O-N 3.24Å; K252-A254 VanDerWaalsContact C-N 3.31Å; K252-A254 PolarHBondContact O-N 3.15Å; K252-L255 WeakPolarHBondContact O-CB 3.25Å; K252-L255 PolarHBondContact O-N 3.01Å; K252-V256 HydrophobicContact CG-CG2 4.12Å; K252-V256 PolarHBondContact O-N 3.32Å; K252-V256 VanDerWaalsContact O-N 3.1Å; K252-F282 HydrophobicContact CG-CE2 4.29Å; K252-F282 HydrophobicContact CG-CZ 4.35Å
253	L	95.5	Very high	97.2	Very high	106 Å²	106	54.3 Å²	54.3	56%	0.555	31%	0.313	S	S	*	.	H	α-helix	trans	-55.4	-41.7	-175.4	-174.7	66.6	0	0	0	113.5	G251 L255 V256 N257 A262	G251-L253 VanDerWaalsContact C-N 3.34Å; G251-L253 PolarHBondContact O-N 3.44Å; L253-L255 PolarHBondContact O-N 2.66Å; L253-V256 PolarHBondContact O-N 3.2Å; L253-N257 WeakPolarHBondContact CD1-ND2 3.45Å; L253-N257 WeakPolarHBondContact O-CB 3.43Å; L253-N257 PolarHBondContact O-N 3.47Å; L253-N257 VanDerWaalsContact O-N 3.09Å; L253-A262 HydrophobicContact CD2-CB 4.35Å
254	A	97.3	Very high	97.2	Very high	5 Å²	5	53 Å²	53	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-25.7	-180	0	0	0	0	0	112.6	K252 D258 A259	K252-A254 VanDerWaalsContact C-N 3.31Å; K252-A254 PolarHBondContact O-N 3.15Å; A254-D258 PolarHBondContact O-N 3.09Å; A254-A259 WeakPolarHBondContact CB-O 3.47Å; A254-A259 PolarHBondContact O-N 3.2Å; A254-A259 VanDerWaalsContact O-N 3.15Å
255	L	97.4	Very high	97.2	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-80.1	-47.3	176.7	-52.4	-166.1	0	0	0	110.9	G220 W223 K252 L253 N257 D258 K279 F282	G220-L255 WeakPolarHBondContact O-CD2 3.36Å; W223-L255 HydrophobicContact CB-CD1 3.76Å; K252-L255 WeakPolarHBondContact O-CB 3.25Å; K252-L255 PolarHBondContact O-N 3.01Å; L253-L255 PolarHBondContact O-N 2.66Å; L255-N257 PolarHBondContact O-N 2.55Å; L255-D258 PolarHBondContact O-N 2.79Å; L255-K279 HydrophobicContact CD2-CB 3.9Å; L255-K279 HydrophobicContact CD2-CD 4.02Å; L255-K279 HydrophobicContact CD2-CG 3.97Å; L255-F282 HydrophobicContact CB-CD1 3.9Å; L255-F282 HydrophobicContact CB-CE1 3.9Å; L255-F282 HydrophobicContact CB-CG 4.46Å; L255-F282 HydrophobicContact CB-CZ 4.49Å; L255-F282 HydrophobicContact CD1-CB 3.99Å; L255-F282 HydrophobicContact CD1-CD1 4.06Å; L255-F282 HydrophobicContact CD1-CD2 4.13Å; L255-F282 HydrophobicContact CD1-CG 3.79Å
256	V	95	Very high	97.2	Very high	86 Å²	86	48.9 Å²	48.9	52%	0.521	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-43.2	-178.3	174.7	0	0	0	0	111.7	K252 L253 F282	K252-V256 HydrophobicContact CG-CG2 4.12Å; K252-V256 PolarHBondContact O-N 3.32Å; K252-V256 VanDerWaalsContact O-N 3.1Å; L253-V256 PolarHBondContact O-N 3.2Å; V256-F282 HydrophobicContact CG2-CE1 4.17Å; V256-F282 HydrophobicContact CG2-CZ 3.84Å
257	N	94.7	Very high	97.3	Very high	100 Å²	100	43.5 Å²	43.5	54%	0.535	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.4	-175.2	-65.4	-16.8	0	0	0	113.9	L253 L255 A259	L253-N257 WeakPolarHBondContact CD1-ND2 3.45Å; L253-N257 WeakPolarHBondContact O-CB 3.43Å; L253-N257 PolarHBondContact O-N 3.47Å; L253-N257 VanDerWaalsContact O-N 3.09Å; L255-N257 PolarHBondContact O-N 2.55Å; N257-A259 HydrophobicContact CB-CB 4.04Å; N257-A259 PolarHBondContact O-N 3.43Å
258	D	95.7	Very high	97.5	Very high	122 Å²	122	46.2 Å²	46.2	65%	0.652	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	46.3	-170.8	-162	27.5	0	0	0	113.1	A254 L255 K279	A254-D258 PolarHBondContact O-N 3.09Å; L255-D258 PolarHBondContact O-N 2.79Å; D258-K279 IonicContact OD1-NZ 2.7Å; D258-K279 PolarHBondContact OD1-NZ 3.48Å
259	A	96.8	Very high	97.5	Very high	37 Å²	37	47.8 Å²	47.8	31%	0.306	28%	0.276	S	S	.	.			trans	-120.1	158.9	-170.7	0	0	0	0	0	111.8	A254 N257	A254-A259 WeakPolarHBondContact CB-O 3.47Å; A254-A259 PolarHBondContact O-N 3.2Å; A254-A259 VanDerWaalsContact O-N 3.15Å; N257-A259 HydrophobicContact CB-CB 4.04Å; N257-A259 PolarHBondContact O-N 3.43Å
260	P	98.3	Very high	97.5	Very high	87 Å²	87	51 Å²	51	57%	0.565	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-57.6	157.3	169.5	-23.9	34.6	0	0	0	112.8	D218 A262	D218-P260 CarbonylContact O-C 3.57Å; D218-P260 WeakPolarHBondContact O-CA 3.4Å; P260-A262 PolarHBondContact O-N 3Å
261	R	98.6	Very high	97.4	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.038	30%	0.304	C	S	.	.			trans	-56.9	126.9	175.4	-65.8	-58.8	-168.7	-172.8	5	110.7	F214 R215 Q216 G217 D218 S222 G251 A263	F214-R261 HydrophobicContact CD2-CB 4.05Å; F214-R261 HydrophobicContact CD2-CG 3.55Å; F214-R261 HydrophobicContact CE2-CB 4.23Å; F214-R261 HydrophobicContact CE2-CG 3.89Å; F214-R261 HydrophobicContact CG-CG 4.17Å; R215-R261 VanDerWaalsContact O-CB 3.29Å; R215-R261 WeakPolarHBondContact O-CB 3.49Å; Q216-R261 CarbonylContact C-O 3.6Å; Q216-R261 WeakPolarHBondContact CA-O 3.41Å; Q216-R261 WeakPolarHBondContact CG-O 3.38Å; G217-R261 PolarHBondContact N-O 3.36Å; D218-R261 HydrophobicContact CB-CG 4.08Å; D218-R261 WeakPolarHBondContact O-CG 3.46Å; D218-R261 PolarHBondContact O-N 3.07Å; S222-R261 PolarHBondContact O-NH1 3.46Å; S222-R261 PolarHBondContact O-NH2 3.37Å; G251-R261 VanDerWaalsContact CA-NH1 3.32Å; G251-R261 PolarHBondContact O-NH1 2.94Å; R261-A263 VanDerWaalsContact C-N 3.32Å; R261-A263 PolarHBondContact O-N 3.15Å
262	A	97.8	Very high	97.4	Very high	60 Å²	60	52 Å²	52	50%	0.496	30%	0.295	S	S	.	.	S	Bend	trans	-76.1	-19	-179.7	0	0	0	0	0	113.9	L253 P260	L253-A262 HydrophobicContact CD2-CB 4.35Å; P260-A262 PolarHBondContact O-N 3Å
263	A	98.4	Very high	97.5	Very high	12 Å²	12	50.8 Å²	50.8	10%	0.099	29%	0.29	C	S	.	.	S	Bend	trans	-149.2	159.1	-177.6	0	0	0	0	0	110.7	F214 Q216 V233 V234 I235 R261	F214-A263 WeakPolarHBondContact CE2-O 3.34Å; Q216-A263 PolarHBondContact N-O 3.27Å; V233-A263 HydrophobicContact CG1-CB 3.5Å; V234-A263 WeakPolarHBondContact O-CA 3.31Å; I235-A263 HydrophobicContact CD1-CB 4.41Å; I235-A263 HydrophobicContact CG1-CB 3.7Å; R261-A263 VanDerWaalsContact C-N 3.32Å; R261-A263 PolarHBondContact O-N 3.15Å
264	T	98.8	Very high	97.6	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.5	168	-60.6	0	0	0	0	109.1	I212 F214 R215 Q216 V234 I266	I212-T264 HydrophobicContact CG2-CG2 3.7Å; F214-T264 WeakPolarHBondContact O-CA 3.26Å; F214-T264 WeakPolarHBondContact O-CG2 3.35Å; R215-T264 WeakPolarHBondContact CA-OG1 3.36Å; R215-T264 HydrophobicContact CG-CG2 4.26Å; Q216-T264 PolarHBondContact N-OG1 3.19Å; V234-T264 PolarHBondContact N-O 3.41Å; V234-T264 PolarHBondContact O-N 3.04Å; T264-I266 HydrophobicContact CG2-CD1 4.17Å; T264-I266 HydrophobicContact CG2-CG1 3.82Å
265	I	98.8	Very high	97.7	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.8	175.1	-62.8	-61.5	0	0	0	109.3	I212 L213 F214 V231 V233 F250	I212-I265 WeakPolarHBondContact CA-O 3.5Å; L213-I265 HydrophobicContact CB-CB 4.32Å; L213-I265 HydrophobicContact CB-CG2 4.11Å; L213-I265 HydrophobicContact CD2-CG2 4.27Å; L213-I265 PolarHBondContact N-O 3.35Å; F214-I265 HydrophobicContact CD2-CB 4.45Å; F214-I265 HydrophobicContact CD2-CG1 4.17Å; F214-I265 HydrophobicContact CE1-CB 4.36Å; F214-I265 HydrophobicContact CE1-CG1 4.01Å; F214-I265 HydrophobicContact CE2-CB 4.11Å; F214-I265 HydrophobicContact CE2-CG1 3.38Å; F214-I265 HydrophobicContact CZ-CB 4.07Å; F214-I265 HydrophobicContact CZ-CD1 4.48Å; F214-I265 HydrophobicContact CZ-CG1 3.29Å; F214-I265 PolarHBondContact O-N 2.64Å; V231-I265 HydrophobicContact CB-CG2 3.83Å; V231-I265 HydrophobicContact CG1-CG2 4.1Å; V231-I265 HydrophobicContact CG2-CG2 3.91Å; V233-I265 HydrophobicContact CB-CD1 4.32Å; V233-I265 HydrophobicContact CG1-CD1 4.3Å; V233-I265 HydrophobicContact CG2-CD1 3.81Å; F250-I265 HydrophobicContact CD2-CD1 4.23Å; F250-I265 HydrophobicContact CD2-CG1 3.88Å; F250-I265 HydrophobicContact CD2-CG2 4.33Å; F250-I265 HydrophobicContact CE2-CB 4.44Å; F250-I265 HydrophobicContact CE2-CG1 4.16Å; F250-I265 HydrophobicContact CE2-CG2 3.87Å; F250-I265 HydrophobicContact CG-CD1 4.38Å; F250-I265 HydrophobicContact CZ-CG2 4.02Å
266	I	98.8	Very high	97.7	Very high	40 Å²	40	48.4 Å²	48.4	21%	0.205	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.9	-178.2	-46	-173.1	0	0	0	108.8	T211 I212 V231 N232 V234 T264 N268	T211-I266 WeakPolarHBondContact O-CA 3.34Å; I212-I266 HydrophobicContact CG1-CD1 4.33Å; I212-I266 HydrophobicContact CG1-CG1 4.11Å; I212-I266 HydrophobicContact CG1-CG2 4.32Å; V231-I266 CarbonylContact C-O 3.51Å; V231-I266 VanDerWaalsContact CA-O 3.29Å; V231-I266 WeakPolarHBondContact CA-O 3.48Å; V231-I266 WeakPolarHBondContact CB-O 3.14Å; N232-I266 PolarHBondContact N-O 2.91Å; N232-I266 PolarHBondContact O-N 3.06Å; N232-I266 VanDerWaalsContact O-N 3.09Å; V234-I266 HydrophobicContact CG2-CD1 3.89Å; V234-I266 HydrophobicContact CG2-CG1 4.21Å; T264-I266 HydrophobicContact CG2-CD1 4.17Å; T264-I266 HydrophobicContact CG2-CG1 3.82Å; I266-N268 PolarHBondContact O-N 3.38Å
267	L	98.8	Very high	97.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.9	175.3	-88	66.1	0	0	0	110.8	H206 G210 T211 L213 V231 C272 F274	H206-L267 HydrophobicContact CB-CD2 3.38Å; G210-L267 PolarHBondContact N-O 3.41Å; T211-L267 PolarHBondContact O-N 3.2Å; L213-L267 HydrophobicContact CB-CD1 4.36Å; V231-L267 HydrophobicContact CG1-CD1 4.25Å; V231-L267 HydrophobicContact CG1-CG 4.37Å; L267-C272 HydrophobicContact CD2-CB 3.72Å; L267-C272 HydrophobicContact CG-CB 4.1Å; L267-F274 HydrophobicContact CD1-CE2 4.34Å; L267-F274 HydrophobicContact CD1-CZ 4.13Å; L267-F274 HydrophobicContact CG-CZ 4.35Å
268	N	98.1	Very high	98	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	23%	0.234	S	C	.	.			trans	-93.2	-23.3	177.8	-173	62.5	0	0	0	111.6	S230 N232 I266	S230-N268 WeakPolarHBondContact O-CB 3.33Å; S230-N268 PolarHBondContact O-N 2.87Å; S230-N268 WeakPolarHBondContact OG-CB 3.37Å; S230-N268 PolarHBondContact OG-ND2 3.24Å; N232-N268 PolarHBondContact ND2-OD1 3.49Å; I266-N268 PolarHBondContact O-N 3.38Å
269	E	98.1	Very high	98.1	Very high	86 Å²	86	38.4 Å²	38.4	40%	0.402	21%	0.213	S	C	.	.	S	Bend	trans	-123.2	164.9	-179.8	-71.5	174.8	-112	0	0	112.5	A209 S230 C272	A209-E269 WeakPolarHBondContact CA-O 3.5Å; A209-E269 PolarHBondContact N-O 2.86Å; S230-E269 WeakPolarHBondContact CB-OE1 3.49Å; S230-E269 PolarHBondContact N-OE1 3.3Å; S230-E269 PolarHBondContact OG-OE1 2.8Å; E269-C272 PolarHBondContact O-SG 2.94Å; E269-C272 VanDerWaalsContact O-SG 3.36Å
270	H	97.8	Very high	98.1	Very high	122 Å²	122	42.7 Å²	42.7	57%	0.565	23%	0.226	S	C	*	.	S	Bend	trans	-78.1	157.8	169.3	-68.2	-79	0	0	0	110.7	Q207 A209 C272	Q207-H270 WeakPolarHBondContact O-CA 3.34Å; Q207-H270 WeakPolarHBondContact O-CB 3.13Å; Q207-H270 PolarHBondContact O-ND1 3.13Å; A209-H270 PolarHBondContact N-ND1 3.18Å; H270-C272 VanDerWaalsContact C-N 3.26Å; H270-C272 PolarHBondContact O-N 3.01Å
271	C	96.1	Very high	98.1	Very high	52 Å²	52	39.9 Å²	39.9	35%	0.351	21%	0.207	S	C	.	.	S	Bend	trans	55.3	34.3	172.9	-52.5	0	0	0	0	114.7	H206 Q207	H206-C271 CarbonylContact O-C 3.52Å; H206-C271 WeakPolarHBondContact O-CA 3.48Å; H206-C271 PolarHBondContact O-N 3.38Å; Q207-C271 PolarHBondContact O-N 3.37Å; Q207-C271 PolarHBondContact OE1-SG 2.86Å
272	C	98.3	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	145	176.3	-61.1	0	0	0	0	111.2	Q205 H206 K228 L267 E269 H270 F274	Q205-C272 WeakPolarHBondContact CA-O 3.23Å; H206-C272 PolarHBondContact N-O 3.31Å; H206-C272 PolarHBondContact O-N 2.69Å; K228-C272 VanDerWaalsContact O-CA 3.26Å; K228-C272 WeakPolarHBondContact O-CA 3.39Å; L267-C272 HydrophobicContact CD2-CB 3.72Å; L267-C272 HydrophobicContact CG-CB 4.1Å; E269-C272 PolarHBondContact O-SG 2.94Å; E269-C272 VanDerWaalsContact O-SG 3.36Å; H270-C272 VanDerWaalsContact C-N 3.26Å; H270-C272 PolarHBondContact O-N 3.01Å; C272-F274 HydrophobicContact CB-CE2 3.72Å; C272-F274 HydrophobicContact CB-CZ 3.6Å
273	Q	97.8	Very high	98	Very high	30 Å²	30	39.8 Å²	39.8	14%	0.14	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.2	-179.6	-58.4	179.2	-1.9	0	0	110.1	F203 E204 Q205 L227 K228	F203-Q273 HydrophobicContact CE2-CB 3.8Å; F203-Q273 HydrophobicContact CE2-CG 4.07Å; F203-Q273 HydrophobicContact CZ-CB 3.96Å; F203-Q273 HydrophobicContact CZ-CG 3.74Å; E204-Q273 WeakPolarHBondContact O-CA 3.47Å; Q205-Q273 HydrophobicContact CB-CG 4.37Å; L227-Q273 HydrophobicContact CB-CB 4.19Å; L227-Q273 PolarHBondContact N-O 3Å; K228-Q273 HydrophobicContact CB-CB 3.88Å; K228-Q273 HydrophobicContact CB-CG 4.01Å; K228-Q273 PolarHBondContact N-O 3.43Å; K228-Q273 VanDerWaalsContact N-O 3.14Å; K228-Q273 PolarHBondContact O-N 3.16Å
274	F	98.4	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145	-176.2	-50.9	-81.9	0	0	0	110.9	E204 H206 Y224 I225 I226 V231 F250 L267 C272	E204-F274 PolarHBondContact N-O 2.87Å; E204-F274 PolarHBondContact O-N 3.31Å; H206-F274 AromaticContact CD2-CE2 3.86Å; Y224-F274 HydrophobicContact CD1-CB 4.19Å; I225-F274 CarbonylContact O-C 3.59Å; I225-F274 WeakPolarHBondContact O-CA 3.21Å; I226-F274 HydrophobicContact CB-CD1 4.46Å; I226-F274 HydrophobicContact CG1-CD1 4.06Å; I226-F274 HydrophobicContact CG1-CE1 3.95Å; I226-F274 HydrophobicContact CG2-CE1 4.37Å; V231-F274 HydrophobicContact CG1-CE1 3.85Å; V231-F274 HydrophobicContact CG1-CZ 3.77Å; F250-F274 HydrophobicContact CE1-CD1 4.03Å; F250-F274 AromaticContact CE1-CE1 3.83Å; F250-F274 HydrophobicContact CE1-CE1 3.83Å; F250-F274 AromaticContact CZ-CD1 3.99Å; F250-F274 HydrophobicContact CZ-CD1 3.99Å; F250-F274 AromaticContact CZ-CE1 3.84Å; F250-F274 HydrophobicContact CZ-CE1 3.84Å; L267-F274 HydrophobicContact CD1-CE2 4.34Å; L267-F274 HydrophobicContact CD1-CZ 4.13Å; L267-F274 HydrophobicContact CG-CZ 4.35Å; C272-F274 HydrophobicContact CB-CE2 3.72Å; C272-F274 HydrophobicContact CB-CZ 3.6Å
275	L	98.5	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.1	152.1	-62	179.7	0	0	0	108.5	F157 L161 L180 I183 V201 M202 Y224 I225 L227	F157-L275 HydrophobicContact CE1-CD2 3.98Å; F157-L275 HydrophobicContact CZ-CD1 4.09Å; F157-L275 HydrophobicContact CZ-CD2 3.76Å; L161-L275 HydrophobicContact CD1-CD2 3.34Å; L180-L275 HydrophobicContact CD2-CD1 3.75Å; I183-L275 HydrophobicContact CD1-CD1 3.35Å; V201-L275 HydrophobicContact CG2-CB 3.68Å; V201-L275 HydrophobicContact CG2-CD1 4.23Å; V201-L275 HydrophobicContact CG2-CD2 3.98Å; V201-L275 HydrophobicContact CG2-CG 4.18Å; M202-L275 CarbonylContact O-C 3.43Å; M202-L275 WeakPolarHBondContact O-CA 3.39Å; Y224-L275 CarbonylContact C-O 3.51Å; Y224-L275 VanDerWaalsContact CA-O 3.23Å; Y224-L275 WeakPolarHBondContact CA-O 3.44Å; I225-L275 HydrophobicContact CB-CB 4.17Å; I225-L275 HydrophobicContact CD1-CB 4.31Å; I225-L275 HydrophobicContact CD1-CD1 4.33Å; I225-L275 PolarHBondContact N-O 3.05Å; I225-L275 PolarHBondContact O-N 3.16Å; L227-L275 HydrophobicContact CD1-CD2 3.71Å; L227-L275 HydrophobicContact CD1-CG 3.84Å; L227-L275 HydrophobicContact CD2-CD1 4.06Å; L227-L275 HydrophobicContact CD2-CD2 4.47Å; L227-L275 HydrophobicContact CD2-CG 3.85Å; L227-L275 HydrophobicContact CG-CD2 4.31Å; L227-L275 HydrophobicContact CG-CG 3.86Å
276	R	98.3	Very high	97.5	Very high	66 Å²	66	45.5 Å²	45.5	25%	0.249	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.1	176.9	-170.6	-176.7	89.5	-159.5	1.3	110.7	M202 E204 W223 Y224 D278	M202-R276 PolarHBondContact N-O 3.11Å; M202-R276 PolarHBondContact O-N 2.94Å; E204-R276 WeakPolarHBondContact OE2-CD 3.44Å; E204-R276 IonicContact OE2-CZ 2.71Å; E204-R276 IonicContact OE2-NE 3.46Å; E204-R276 IonicContact OE2-NH1 3.67Å; E204-R276 PolarHBondContact OE2-NH1 3.41Å; W223-R276 WeakPolarHBondContact O-CA 3.34Å; Y224-R276 HydrophobicContact CD1-CB 4.09Å; Y224-R276 HydrophobicContact CD1-CG 3.93Å; Y224-R276 HydrophobicContact CE1-CB 4.06Å; Y224-R276 HydrophobicContact CE1-CG 3.55Å; R276-D278 IonicContact CZ-OD1 3.63Å; R276-D278 IonicContact CZ-OD2 3.78Å; R276-D278 IonicContact NE-OD1 3.77Å; R276-D278 PolarHBondContact NE-OD1 3.46Å; R276-D278 IonicContact NE-OD2 2.73Å; R276-D278 IonicContact NH2-OD1 3.63Å; R276-D278 PolarHBondContact NH2-OD1 2.61Å; R276-D278 IonicContact NH2-OD2 3.33Å; R276-D278 PolarHBondContact NH2-OD2 3.41Å
277	V	98.2	Very high	97.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.5	170.7	-176.5	0	0	0	0	108.2	L197 V201 S222 W223 D281 F282	L197-V277 HydrophobicContact CD2-CG1 4.09Å; L197-V277 HydrophobicContact CD2-CG2 3.67Å; V201-V277 HydrophobicContact CB-CG2 4.49Å; V201-V277 HydrophobicContact CG2-CG2 4.1Å; S222-V277 CarbonylContact C-O 3.2Å; S222-V277 VanDerWaalsContact CA-O 3.22Å; S222-V277 WeakPolarHBondContact CA-O 3.38Å; S222-V277 WeakPolarHBondContact CB-O 3.41Å; W223-V277 HydrophobicContact CB-CB 4.5Å; W223-V277 HydrophobicContact CE3-CB 4.08Å; W223-V277 HydrophobicContact CE3-CG2 3.98Å; W223-V277 HydrophobicContact CZ3-CG2 4.36Å; W223-V277 PolarHBondContact N-O 3.2Å; W223-V277 PolarHBondContact O-N 3.2Å; V277-D281 HydrophobicContact CG1-CB 4.41Å; V277-F282 HydrophobicContact CG1-CB 4.11Å
278	D	98.1	Very high	96.8	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.241	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	150.5	-179.8	-70.6	-23.9	0	0	0	111.1	S222 R276 H280 D281 F282	S222-D278 WeakPolarHBondContact CB-OD1 3.5Å; S222-D278 PolarHBondContact OG-OD1 2.97Å; R276-D278 IonicContact CZ-OD1 3.63Å; R276-D278 IonicContact CZ-OD2 3.78Å; R276-D278 IonicContact NE-OD1 3.77Å; R276-D278 PolarHBondContact NE-OD1 3.46Å; R276-D278 IonicContact NE-OD2 2.73Å; R276-D278 IonicContact NH2-OD1 3.63Å; R276-D278 PolarHBondContact NH2-OD1 2.61Å; R276-D278 IonicContact NH2-OD2 3.33Å; R276-D278 PolarHBondContact NH2-OD2 3.41Å; D278-H280 PolarHBondContact O-N 3.33Å; D278-H280 VanDerWaalsContact O-N 3.16Å; D278-D281 PolarHBondContact O-N 3.1Å; D278-F282 PolarHBondContact O-N 3.3Å
279	K	98	Very high	96.4	Very high	52 Å²	52	50.2 Å²	50.2	23%	0.226	24%	0.237	C	C	.	.	H	α-helix	trans	-55.8	-37.1	-173.4	-178.4	173.5	-172.9	175.2	0	113.1	G220 K221 L255 D258 N283	G220-K279 WeakPolarHBondContact O-CD 3.49Å; K221-K279 VanDerWaalsContact O-CB 3.25Å; K221-K279 WeakPolarHBondContact O-CB 3.42Å; K221-K279 PolarHBondContact O-N 3.25Å; L255-K279 HydrophobicContact CD2-CB 3.9Å; L255-K279 HydrophobicContact CD2-CD 4.02Å; L255-K279 HydrophobicContact CD2-CG 3.97Å; D258-K279 IonicContact OD1-NZ 2.7Å; D258-K279 PolarHBondContact OD1-NZ 3.48Å; K279-N283 WeakPolarHBondContact O-CB 3.32Å; K279-N283 VanDerWaalsContact O-CG 3.3Å; K279-N283 PolarHBondContact O-N 3.48Å
280	H	97.4	Very high	95.9	Very high	126 Å²	126	50.9 Å²	50.9	58%	0.583	24%	0.24	S	C	*	.	H	α-helix	trans	-59.8	-50.3	177.4	175.1	-88.3	0	0	0	111	D278 N283 R284	D278-H280 PolarHBondContact O-N 3.33Å; D278-H280 VanDerWaalsContact O-N 3.16Å; H280-N283 PolarHBondContact O-N 2.9Å; H280-R284 WeakPolarHBondContact O-CB 3.41Å; H280-R284 PolarHBondContact O-N 2.66Å
281	D	97.7	Very high	95.5	Very high	29 Å²	29	48.6 Å²	48.6	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-42.6	178.8	-62.3	-61.1	0	0	0	111.6	V200 V277 D278 N283 R284 I285	V200-D281 HydrophobicContact CB-CB 4.07Å; V200-D281 HydrophobicContact CG1-CB 4.5Å; V200-D281 HydrophobicContact CG2-CB 3.89Å; V277-D281 HydrophobicContact CG1-CB 4.41Å; D278-D281 PolarHBondContact O-N 3.1Å; D281-N283 VanDerWaalsContact C-N 3.33Å; D281-N283 PolarHBondContact O-N 3.06Å; D281-R284 PolarHBondContact O-N 2.68Å; D281-R284 VanDerWaalsContact O-N 3.14Å; D281-R284 IonicContact OD1-CZ 2.69Å; D281-R284 VanDerWaalsContact OD1-CZ 3.25Å; D281-R284 IonicContact OD1-NH1 2.78Å; D281-R284 PolarHBondContact OD1-NH1 3.36Å; D281-R284 IonicContact OD1-NH2 3.76Å; D281-R284 PolarHBondContact OD1-NH2 2.91Å; D281-I285 VanDerWaalsContact O-CG1 3.26Å; D281-I285 WeakPolarHBondContact O-CG1 3.38Å; D281-I285 PolarHBondContact O-N 3.45Å
282	F	97.6	Very high	95.2	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-53.1	-50.8	173.9	-178.6	-92.4	0	0	0	111.7	W223 K252 L255 V256 V277 D278 I285 L286	W223-F282 HydrophobicContact CE3-CD2 4.03Å; W223-F282 HydrophobicContact CE3-CE2 4.18Å; K252-F282 HydrophobicContact CG-CE2 4.29Å; K252-F282 HydrophobicContact CG-CZ 4.35Å; L255-F282 HydrophobicContact CB-CD1 3.9Å; L255-F282 HydrophobicContact CB-CE1 3.9Å; L255-F282 HydrophobicContact CB-CG 4.46Å; L255-F282 HydrophobicContact CB-CZ 4.49Å; L255-F282 HydrophobicContact CD1-CB 3.99Å; L255-F282 HydrophobicContact CD1-CD1 4.06Å; L255-F282 HydrophobicContact CD1-CD2 4.13Å; L255-F282 HydrophobicContact CD1-CG 3.79Å; V256-F282 HydrophobicContact CG2-CE1 4.17Å; V256-F282 HydrophobicContact CG2-CZ 3.84Å; V277-F282 HydrophobicContact CG1-CB 4.11Å; D278-F282 PolarHBondContact O-N 3.3Å; F282-I285 PolarHBondContact O-N 2.93Å; F282-L286 HydrophobicContact CD1-CD1 3.92Å; F282-L286 HydrophobicContact CE1-CD1 3.36Å; F282-L286 HydrophobicContact CE1-CG 4.28Å; F282-L286 HydrophobicContact CZ-CD1 3.85Å; F282-L286 WeakPolarHBondContact O-CG 3.26Å; F282-L286 PolarHBondContact O-N 2.85Å; F282-L286 VanDerWaalsContact O-N 3.11Å
283	N	96.8	Very high	94.8	Very high	51 Å²	51	49.3 Å²	49.3	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-68.4	-34.8	179	-73.3	-13.4	0	0	0	112.4	K279 H280 D281 R287	K279-N283 WeakPolarHBondContact O-CB 3.32Å; K279-N283 VanDerWaalsContact O-CG 3.3Å; K279-N283 PolarHBondContact O-N 3.48Å; H280-N283 PolarHBondContact O-N 2.9Å; D281-N283 VanDerWaalsContact C-N 3.33Å; D281-N283 PolarHBondContact O-N 3.06Å; N283-R287 WeakPolarHBondContact O-CG 3.28Å; N283-R287 PolarHBondContact O-N 3.18Å
284	R	97	Very high	94.5	Very high	62 Å²	62	50.9 Å²	50.9	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-51.6	175.1	-174.4	-174.5	70.2	-115.9	-19.1	110.4	H280 D281 L286 R287 D288	H280-R284 WeakPolarHBondContact O-CB 3.41Å; H280-R284 PolarHBondContact O-N 2.66Å; D281-R284 PolarHBondContact O-N 2.68Å; D281-R284 VanDerWaalsContact O-N 3.14Å; D281-R284 IonicContact OD1-CZ 2.69Å; D281-R284 VanDerWaalsContact OD1-CZ 3.25Å; D281-R284 IonicContact OD1-NH1 2.78Å; D281-R284 PolarHBondContact OD1-NH1 3.36Å; D281-R284 IonicContact OD1-NH2 3.76Å; D281-R284 PolarHBondContact OD1-NH2 2.91Å; R284-L286 VanDerWaalsContact C-N 3.32Å; R284-L286 PolarHBondContact O-N 3.37Å; R284-R287 WeakPolarHBondContact O-CB 3.43Å; R284-R287 PolarHBondContact O-N 3.14Å; R284-D288 VanDerWaalsContact CG-OD2 3.28Å; R284-D288 WeakPolarHBondContact CG-OD2 3.33Å; R284-D288 IonicContact NE-OD2 3.96Å; R284-D288 VanDerWaalsContact O-CG 3.27Å; R284-D288 PolarHBondContact O-N 3.14Å
285	I	95.9	Very high	94.3	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-57.1	-45.7	179.7	-66.1	177.4	0	0	0	111	V193 E196 L197 V200 D281 F282 R287 D288 V289	V193-I285 HydrophobicContact CG1-CG2 4.2Å; E196-I285 HydrophobicContact CB-CD1 3.96Å; E196-I285 HydrophobicContact CB-CG1 3.9Å; E196-I285 HydrophobicContact CB-CG2 3.96Å; L197-I285 HydrophobicContact CD2-CD1 3.73Å; L197-I285 HydrophobicContact CG-CD1 4.08Å; V200-I285 HydrophobicContact CG2-CD1 3.75Å; D281-I285 VanDerWaalsContact O-CG1 3.26Å; D281-I285 WeakPolarHBondContact O-CG1 3.38Å; D281-I285 PolarHBondContact O-N 3.45Å; F282-I285 PolarHBondContact O-N 2.93Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.34Å; I285-D288 PolarHBondContact O-N 2.94Å; I285-V289 HydrophobicContact CG2-CG2 4.04Å; I285-V289 WeakPolarHBondContact O-CB 3.23Å; I285-V289 VanDerWaalsContact O-CG2 3.23Å; I285-V289 WeakPolarHBondContact O-CG2 3.5Å; I285-V289 PolarHBondContact O-N 3.04Å
286	L	91.5	Very high	94.2	Very high	93 Å²	93	59.5 Å²	59.5	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-42.1	177.3	-73.9	179.6	0	0	0	112.4	F282 R284 E290	F282-L286 HydrophobicContact CD1-CD1 3.92Å; F282-L286 HydrophobicContact CE1-CD1 3.36Å; F282-L286 HydrophobicContact CE1-CG 4.28Å; F282-L286 HydrophobicContact CZ-CD1 3.85Å; F282-L286 WeakPolarHBondContact O-CG 3.26Å; F282-L286 PolarHBondContact O-N 2.85Å; F282-L286 VanDerWaalsContact O-N 3.11Å; R284-L286 VanDerWaalsContact C-N 3.32Å; R284-L286 PolarHBondContact O-N 3.37Å; L286-E290 VanDerWaalsContact O-CB 3.23Å; L286-E290 WeakPolarHBondContact O-CB 3.35Å; L286-E290 PolarHBondContact O-N 3.06Å; L286-E290 VanDerWaalsContact O-N 3.14Å
287	R	92.6	Very high	94.1	Very high	139 Å²	139	62.5 Å²	62.5	53%	0.525	31%	0.307	S	S	.	.	H	α-helix	trans	-68.5	-44	177.1	-72.2	-172.9	-56.8	-100	-0.1	112.1	N283 R284 I285 E290 A291	N283-R287 WeakPolarHBondContact O-CG 3.28Å; N283-R287 PolarHBondContact O-N 3.18Å; R284-R287 WeakPolarHBondContact O-CB 3.43Å; R284-R287 PolarHBondContact O-N 3.14Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.34Å; R287-E290 PolarHBondContact O-N 2.9Å; R287-A291 WeakPolarHBondContact O-CB 3.23Å; R287-A291 PolarHBondContact O-N 2.72Å
288	D	91.5	Very high	94	Very high	59 Å²	59	66.3 Å²	66.3	32%	0.316	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-41.3	-174.8	-66.3	-5.1	0	0	0	110.7	R284 I285 A291 N292	R284-D288 VanDerWaalsContact CG-OD2 3.28Å; R284-D288 WeakPolarHBondContact CG-OD2 3.33Å; R284-D288 IonicContact NE-OD2 3.96Å; R284-D288 VanDerWaalsContact O-CG 3.27Å; R284-D288 PolarHBondContact O-N 3.14Å; I285-D288 PolarHBondContact O-N 2.94Å; D288-A291 PolarHBondContact O-N 3.46Å; D288-N292 WeakPolarHBondContact O-CB 3.34Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 2.91Å; D288-N292 PolarHBondContact O-ND2 2.88Å
289	V	88.8	Confident	93.8	Very high	20 Å²	20	73.3 Å²	73.3	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-44.2	174.5	172.8	0	0	0	0	110.9	M192 V193 I285 N292 T293	M192-V289 HydrophobicContact CE-CG2 4.17Å; M192-V289 HydrophobicContact CG-CG2 4.11Å; M192-V289 HydrophobicContact SD-CB 4.12Å; M192-V289 HydrophobicContact SD-CG1 3.93Å; M192-V289 HydrophobicContact SD-CG2 3.84Å; V193-V289 HydrophobicContact CG2-CB 4.48Å; V193-V289 HydrophobicContact CG2-CG1 4.11Å; V193-V289 HydrophobicContact CG2-CG2 3.82Å; I285-V289 HydrophobicContact CG2-CG2 4.04Å; I285-V289 WeakPolarHBondContact O-CB 3.23Å; I285-V289 VanDerWaalsContact O-CG2 3.23Å; I285-V289 WeakPolarHBondContact O-CG2 3.5Å; I285-V289 PolarHBondContact O-N 3.04Å; V289-N292 CarbonylContact O-C 3.45Å; V289-N292 PolarHBondContact O-N 3.3Å; V289-T293 WeakPolarHBondContact O-CB 3.38Å; V289-T293 PolarHBondContact O-N 2.85Å; V289-T293 PolarHBondContact O-OG1 3.38Å
290	E	88.7	Confident	93.6	Very high	99 Å²	99	74 Å²	74	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-41.7	177.3	-175.2	63.9	-168.7	0	0	112	L286 R287 N292 T293 R295	L286-E290 VanDerWaalsContact O-CB 3.23Å; L286-E290 WeakPolarHBondContact O-CB 3.35Å; L286-E290 PolarHBondContact O-N 3.06Å; L286-E290 VanDerWaalsContact O-N 3.14Å; R287-E290 PolarHBondContact O-N 2.9Å; E290-N292 PolarHBondContact O-N 3.27Å; E290-T293 PolarHBondContact O-N 3.42Å; E290-R295 IonicContact OE1-CZ 3.47Å; E290-R295 IonicContact OE1-NH1 2.55Å; E290-R295 PolarHBondContact OE1-NH1 2.8Å; E290-R295 IonicContact OE1-NH2 3.01Å; E290-R295 IonicContact OE2-CZ 2.89Å; E290-R295 IonicContact OE2-NH1 2.66Å; E290-R295 PolarHBondContact OE2-NH1 2.85Å; E290-R295 IonicContact OE2-NH2 3.22Å; E290-R295 PolarHBondContact OE2-NH2 3.44Å
291	A	89.3	Confident	93.5	Very high	74 Å²	74	77.3 Å²	77.3	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-64.9	-28.4	178.2	0	0	0	0	0	113	R287 D288	R287-A291 WeakPolarHBondContact O-CB 3.23Å; R287-A291 PolarHBondContact O-N 2.72Å; D288-A291 PolarHBondContact O-N 3.46Å
292	N	88.1	Confident	93.4	Very high	50 Å²	50	79.5 Å²	79.5	27%	0.267	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.3	175.8	-67.7	-37.9	0	0	0	112.9	M192 D288 V289 E290 E307 K308	M192-N292 HydrophobicContact CE-CB 3.59Å; M192-N292 WeakPolarHBondContact CE-ND2 3.33Å; D288-N292 WeakPolarHBondContact O-CB 3.34Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 2.91Å; D288-N292 PolarHBondContact O-ND2 2.88Å; V289-N292 CarbonylContact O-C 3.45Å; V289-N292 PolarHBondContact O-N 3.3Å; E290-N292 PolarHBondContact O-N 3.27Å; N292-E307 CarbonylContact O-C 3.58Å; N292-E307 WeakPolarHBondContact O-CA 3.26Å; N292-K308 HydrophobicContact CB-CB 4.43Å; N292-K308 WeakPolarHBondContact O-CB 3.46Å; N292-K308 PolarHBondContact O-N 3.42Å
293	T	91	Very high	93.4	Very high	18 Å²	18	79.4 Å²	79.4	11%	0.11	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.5	177.4	-63.1	0	0	0	0	110.4	V289 E290 R295 V305 L306 M327	V289-T293 WeakPolarHBondContact O-CB 3.38Å; V289-T293 PolarHBondContact O-N 2.85Å; V289-T293 PolarHBondContact O-OG1 3.38Å; E290-T293 PolarHBondContact O-N 3.42Å; T293-R295 HydrophobicContact CG2-CG 3.86Å; T293-V305 HydrophobicContact CG2-CG1 3.68Å; T293-L306 CarbonylContact C-O 3.59Å; T293-L306 WeakPolarHBondContact CA-O 3.48Å; T293-M327 HydrophobicContact CG2-CE 3.65Å
294	V	91.8	Very high	93.3	Very high	62 Å²	62	77.4 Å²	77.4	38%	0.376	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.2	171.6	178	0	0	0	0	108.9	V305 L306 Y324	V294-V305 CarbonylContact O-C 3.55Å; V294-V305 WeakPolarHBondContact O-CA 3.31Å; V294-L306 HydrophobicContact CB-CB 4.28Å; V294-L306 PolarHBondContact N-O 2.84Å; V294-L306 PolarHBondContact O-N 3.26Å; V294-Y324 HydrophobicContact CG2-CD1 4.29Å; V294-Y324 HydrophobicContact CG2-CE1 3.72Å
295	R	94.5	Very high	93.1	Very high	103 Å²	103	75.6 Å²	75.6	39%	0.389	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.3	178.3	-54.8	-168.4	-176.7	94	1.7	110.5	E290 T293 L304 V305	E290-R295 IonicContact OE1-CZ 3.47Å; E290-R295 IonicContact OE1-NH1 2.55Å; E290-R295 PolarHBondContact OE1-NH1 2.8Å; E290-R295 IonicContact OE1-NH2 3.01Å; E290-R295 IonicContact OE2-CZ 2.89Å; E290-R295 IonicContact OE2-NH1 2.66Å; E290-R295 PolarHBondContact OE2-NH1 2.85Å; E290-R295 IonicContact OE2-NH2 3.22Å; E290-R295 PolarHBondContact OE2-NH2 3.44Å; T293-R295 HydrophobicContact CG2-CG 3.86Å; R295-L304 CarbonylContact C-O 3.59Å; R295-L304 WeakPolarHBondContact CA-O 3.44Å; R295-V305 HydrophobicContact CG-CG1 4.18Å; R295-V305 HydrophobicContact CG-CG2 4.26Å
296	L	95	Very high	92.9	Very high	78 Å²	78	76.1 Å²	76.1	41%	0.408	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.3	168.5	-178	63.7	0	0	0	108.7	D302 V303 L304 K333	L296-D302 WeakPolarHBondContact O-CA 3.3Å; L296-V303 HydrophobicContact CB-CG2 4.3Å; L296-V303 HydrophobicContact CD2-CG2 4.04Å; L296-V303 HydrophobicContact CG-CG2 3.88Å; L296-V303 WeakPolarHBondContact O-CG2 3.27Å; L296-V303 PolarHBondContact O-N 2.95Å; L296-L304 HydrophobicContact CB-CB 3.94Å; L296-L304 HydrophobicContact CD2-CB 4.23Å; L296-L304 PolarHBondContact N-O 2.79Å; L296-L304 PolarHBondContact O-N 3.25Å; L296-K333 HydrophobicContact CD2-CD 4.36Å
297	K	96.5	Very high	92.7	Very high	129 Å²	129	74 Å²	74	56%	0.561	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	131.7	179.3	-72.1	-177	174.9	-179.2	0	112	R301 D302	K297-R301 CarbonylContact C-O 3.54Å; K297-R301 WeakPolarHBondContact CA-O 2.99Å; K297-D302 WeakPolarHBondContact CE-OD1 3.36Å; K297-D302 WeakPolarHBondContact CG-OD1 3.3Å; K297-D302 IonicContact NZ-OD1 3.22Å
298	E	96.3	Very high	92.4	Very high	82 Å²	82	70.2 Å²	70.2	38%	0.383	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.1	166.2	-70.2	-177.8	162.1	0	0	109.2	G300 R301 V303 K333	E298-G300 PolarHBondContact O-N 3.44Å; E298-R301 PolarHBondContact N-O 3.22Å; E298-R301 PolarHBondContact O-N 2.79Å; E298-V303 HydrophobicContact CB-CG1 3.89Å; E298-V303 HydrophobicContact CB-CG2 4.16Å; E298-V303 HydrophobicContact CG-CG1 4.42Å; E298-V303 HydrophobicContact CG-CG2 3.84Å; E298-K333 WeakPolarHBondContact OE1-CE 3.32Å; E298-K333 IonicContact OE1-NZ 2.79Å; E298-K333 PolarHBondContact OE1-NZ 3.35Å; E298-K333 WeakPolarHBondContact OE2-CE 3.49Å
299	H	94.4	Very high	91.9	Very high	192 Å²	192	69.1 Å²	69.1	89%	0.889	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	33.9	-178.6	-53.9	-67.8	0	0	0	113.9	R301	H299-R301 VanDerWaalsContact C-N 3.31Å; H299-R301 PolarHBondContact O-N 2.6Å
300	G	93.3	Very high	91.4	Very high	67 Å²	67	72.2 Å²	72.2	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	4.3	179.8	0	0	0	0	0	115.5	E298	E298-G300 PolarHBondContact O-N 3.44Å
301	R	95.6	Very high	90.5	Very high	195 Å²	195	70.3 Å²	70.3	74%	0.736	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.2	176.7	-62	-176.9	-179.6	-179.9	0.2	110.5	K297 E298 H299 V303	K297-R301 CarbonylContact C-O 3.54Å; K297-R301 WeakPolarHBondContact CA-O 2.99Å; E298-R301 PolarHBondContact N-O 3.22Å; E298-R301 PolarHBondContact O-N 2.79Å; H299-R301 VanDerWaalsContact C-N 3.31Å; H299-R301 PolarHBondContact O-N 2.6Å; R301-V303 PolarHBondContact O-N 3.35Å
302	D	95	Very high	89.3	Confident	75 Å²	75	77.6 Å²	77.6	40%	0.401	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	118.7	170.3	-65.5	-36.8	0	0	0	108.5	L296 K297 V305	L296-D302 WeakPolarHBondContact O-CA 3.3Å; K297-D302 WeakPolarHBondContact CE-OD1 3.36Å; K297-D302 WeakPolarHBondContact CG-OD1 3.3Å; K297-D302 IonicContact NZ-OD1 3.22Å; D302-V305 HydrophobicContact CB-CG2 4.26Å
303	V	97.1	Very high	87.8	Confident	14 Å²	14	80.4 Å²	80.4	9%	0.085	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-18.3	179	-64.5	0	0	0	0	112.8	L296 E298 R301 G329 T330 K333	L296-V303 HydrophobicContact CB-CG2 4.3Å; L296-V303 HydrophobicContact CD2-CG2 4.04Å; L296-V303 HydrophobicContact CG-CG2 3.88Å; L296-V303 WeakPolarHBondContact O-CG2 3.27Å; L296-V303 PolarHBondContact O-N 2.95Å; E298-V303 HydrophobicContact CB-CG1 3.89Å; E298-V303 HydrophobicContact CB-CG2 4.16Å; E298-V303 HydrophobicContact CG-CG1 4.42Å; E298-V303 HydrophobicContact CG-CG2 3.84Å; R301-V303 PolarHBondContact O-N 3.35Å; V303-G329 CarbonylContact O-C 3.58Å; V303-G329 WeakPolarHBondContact O-CA 3.15Å; V303-T330 HydrophobicContact CB-CG2 4.11Å; V303-T330 HydrophobicContact CG1-CG2 4.18Å; V303-T330 PolarHBondContact O-N 3.13Å; V303-K333 HydrophobicContact CB-CG 3.87Å; V303-K333 HydrophobicContact CG2-CD 4.47Å; V303-K333 HydrophobicContact CG2-CG 3.84Å; V303-K333 WeakPolarHBondContact O-CB 3.11Å
304	L	95.1	Very high	85.9	Confident	9 Å²	9	86 Å²	86	5%	0.047	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.2	171.1	-172.7	67.7	0	0	0	109.3	R295 L296 L306 V326 A328 K333 M334 Y337	R295-L304 CarbonylContact C-O 3.59Å; R295-L304 WeakPolarHBondContact CA-O 3.44Å; L296-L304 HydrophobicContact CB-CB 3.94Å; L296-L304 HydrophobicContact CD2-CB 4.23Å; L296-L304 PolarHBondContact N-O 2.79Å; L296-L304 PolarHBondContact O-N 3.25Å; L304-L306 HydrophobicContact CD1-CD2 4.17Å; L304-L306 HydrophobicContact CD2-CD1 4.3Å; L304-L306 HydrophobicContact CD2-CD2 3.94Å; L304-L306 HydrophobicContact CD2-CG 4.21Å; L304-L306 HydrophobicContact CG-CD2 3.85Å; L304-L306 HydrophobicContact CG-CG 4.15Å; L304-V326 HydrophobicContact CD1-CG1 3.99Å; L304-A328 CarbonylContact C-O 3.49Å; L304-K333 HydrophobicContact CB-CB 4.22Å; L304-M334 HydrophobicContact CD1-CG 4.15Å; L304-Y337 HydrophobicContact CD2-CD2 3.96Å; L304-Y337 HydrophobicContact CD2-CG 4.06Å
305	V	93.4	Very high	84	Confident	23 Å²	23	85.1 Å²	85.1	14%	0.139	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118	180	-175.5	0	0	0	0	107.8	T293 V294 R295 D302 M327 A328	T293-V305 HydrophobicContact CG2-CG1 3.68Å; V294-V305 CarbonylContact O-C 3.55Å; V294-V305 WeakPolarHBondContact O-CA 3.31Å; R295-V305 HydrophobicContact CG-CG1 4.18Å; R295-V305 HydrophobicContact CG-CG2 4.26Å; D302-V305 HydrophobicContact CB-CG2 4.26Å; V305-M327 HydrophobicContact CG1-CB 4.35Å; V305-M327 HydrophobicContact CG1-CE 3.61Å; V305-M327 WeakPolarHBondContact O-CB 3.2Å; V305-M327 PolarHBondContact O-N 2.82Å; V305-A328 HydrophobicContact CB-CB 4.3Å; V305-A328 PolarHBondContact N-O 2.93Å; V305-A328 PolarHBondContact O-N 3.44Å
306	L	90.9	Very high	81.8	Confident	17 Å²	17	88.8 Å²	88.8	9%	0.089	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.2	-176.5	-54.3	177	0	0	0	110.5	T293 V294 L304 Y324 S325 V326 M327 Y337	T293-L306 CarbonylContact C-O 3.59Å; T293-L306 WeakPolarHBondContact CA-O 3.48Å; V294-L306 HydrophobicContact CB-CB 4.28Å; V294-L306 PolarHBondContact N-O 2.84Å; V294-L306 PolarHBondContact O-N 3.26Å; L304-L306 HydrophobicContact CD1-CD2 4.17Å; L304-L306 HydrophobicContact CD2-CD1 4.3Å; L304-L306 HydrophobicContact CD2-CD2 3.94Å; L304-L306 HydrophobicContact CD2-CG 4.21Å; L304-L306 HydrophobicContact CG-CD2 3.85Å; L304-L306 HydrophobicContact CG-CG 4.15Å; L306-Y324 HydrophobicContact CB-CD1 4.25Å; L306-Y324 HydrophobicContact CD1-CG 4.44Å; L306-S325 CarbonylContact C-O 3.59Å; L306-S325 VanDerWaalsContact CA-O 3.25Å; L306-S325 WeakPolarHBondContact CA-O 3.36Å; L306-V326 HydrophobicContact CD2-CB 4.24Å; L306-V326 HydrophobicContact CD2-CG2 3.72Å; L306-M327 VanDerWaalsContact C-CE 3.45Å; L306-M327 VanDerWaalsContact O-CE 3.31Å; L306-M327 WeakPolarHBondContact O-CE 3.48Å; L306-Y337 HydrophobicContact CD1-CD2 4.21Å; L306-Y337 HydrophobicContact CD1-CE2 3.7Å; L306-Y337 HydrophobicContact CD2-CD2 4.4Å; L306-Y337 HydrophobicContact CD2-CE1 4.41Å; L306-Y337 HydrophobicContact CD2-CE2 4.16Å
307	E	87.6	Confident	79.6	Confident	48 Å²	48	95 Å²	95	22%	0.224	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.2	167.7	-174.6	-179.4	177.4	0	0	109.6	M192 N292 V309 Y324 S325 M327	M192-E307 HydrophobicContact SD-CG 4.18Å; N292-E307 CarbonylContact O-C 3.58Å; N292-E307 WeakPolarHBondContact O-CA 3.26Å; E307-V309 HydrophobicContact CB-CG2 4.48Å; E307-V309 HydrophobicContact CG-CG2 4.01Å; E307-V309 PolarHBondContact O-N 2.69Å; E307-Y324 CarbonylContact O-C 3.57Å; E307-Y324 VanDerWaalsContact O-CA 3.26Å; E307-Y324 WeakPolarHBondContact O-CA 3.42Å; E307-S325 PolarHBondContact N-O 2.69Å; E307-S325 PolarHBondContact O-N 2.99Å; E307-M327 HydrophobicContact CB-CE 3.88Å; E307-M327 HydrophobicContact CB-CG 3.8Å; E307-M327 HydrophobicContact CB-SD 3.87Å
308	K	87.3	Confident	77.5	Confident	61 Å²	61	98.5 Å²	98.5	27%	0.265	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	109.2	172.5	-174.4	179.6	174.4	-177.9	0	109	N292 H322 Y324	N292-K308 HydrophobicContact CB-CB 4.43Å; N292-K308 WeakPolarHBondContact O-CB 3.46Å; N292-K308 PolarHBondContact O-N 3.42Å; K308-H322 HydrophobicContact CD-CB 4.48Å; K308-H322 WeakPolarHBondContact CE-CD2 3.31Å; K308-H322 VanDerWaalsContact CE-NE2 3.3Å; K308-H322 WeakPolarHBondContact CE-NE2 3.36Å; K308-H322 HydrophobicContact CG-CB 3.86Å; K308-Y324 HydrophobicContact CB-CD1 4.08Å; K308-Y324 HydrophobicContact CB-CE1 3.77Å; K308-Y324 HydrophobicContact CD-CE1 4.28Å; K308-Y324 HydrophobicContact CG-CD1 4.44Å; K308-Y324 HydrophobicContact CG-CE1 3.84Å
309	V	81.4	Confident	75.3	Confident	36 Å²	36	99.3 Å²	99.3	22%	0.218	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.7	-179.7	-174.8	0	0	0	0	109.6	E307 K323	E307-V309 HydrophobicContact CB-CG2 4.48Å; E307-V309 HydrophobicContact CG-CG2 4.01Å; E307-V309 PolarHBondContact O-N 2.69Å; V309-K323 HydrophobicContact CB-CD 4.44Å; V309-K323 HydrophobicContact CB-CG 3.76Å; V309-K323 HydrophobicContact CG1-CG 4.33Å; V309-K323 PolarHBondContact N-O 3.05Å; V309-K323 PolarHBondContact O-N 3.37Å
310	P	77	Confident	73.6	Confident	84 Å²	84	94.2 Å²	94.2	55%	0.545	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.7	175.5	26.2	-32.6	0	0	0	111.2	R312	P310-R312 PolarHBondContact O-N 3.46Å
311	I	69.9	Low	72.6	Confident	60 Å²	60	92.4 Å²	92.4	31%	0.308	49%	0.486	S	S	.	.			trans	-81.7	113	175	-57.5	173.2	0	0	0	108.4	Q313 G321 K323 I351	I311-Q313 HydrophobicContact CG2-CG 3.93Å; I311-Q313 PolarHBondContact O-N 2.81Å; I311-Q313 VanDerWaalsContact O-N 3.11Å; I311-G321 PolarHBondContact N-O 2.74Å; I311-G321 VanDerWaalsContact N-O 3.11Å; I311-K323 HydrophobicContact CD1-CB 4.2Å; I311-K323 HydrophobicContact CG1-CB 4Å; I311-K323 HydrophobicContact CG1-CG 4.23Å; I311-I351 HydrophobicContact CG2-CD1 4.39Å
312	R	64.6	Low	71.7	Confident	226 Å²	226	87 Å²	87	85%	0.853	47%	0.469	S	S	*	.			trans	-78.7	87.9	171.6	-68	-173.3	171.5	-178.8	-1.4	109.4	P310	P310-R312 PolarHBondContact O-N 3.46Å
313	Q	55.4	Low	71	Confident	110 Å²	110	86.3 Å²	86.3	51%	0.514	46%	0.463	S	S	.	.			trans	-75.9	129.5	169.7	-66.7	-170.9	9.5	0	0	109.9	I311 G315	I311-Q313 HydrophobicContact CG2-CG 3.93Å; I311-Q313 PolarHBondContact O-N 2.81Å; I311-Q313 VanDerWaalsContact O-N 3.11Å; Q313-G315 PolarHBondContact O-N 3.4Å
314	S	51.1	Low	70.5	Confident	135 Å²	135	89.9 Å²	89.9	94%	0.944	48%	0.475	S	S	*	.	S	Bend	trans	-76	33.2	174.6	-173.5	0	0	0	0	113.3
315	G	52.3	Low	70	Confident	44 Å²	44	91.2 Å²	91.2	45%	0.454	49%	0.486	S	S	.	.	S	Bend	trans	-156.9	151.4	-176.5	0	0	0	0	0	113.8	Q313 R317	Q313-G315 PolarHBondContact O-N 3.4Å; G315-R317 PolarHBondContact O-N 3.06Å
316	N	49	Very low	69.8	Low	180 Å²	180	91 Å²	91	96%	0.963	48%	0.484	S	S	*	.	S	Bend	trans	-61.5	39.2	-176.9	-88.2	5.3	0	0	0	116
317	R	49.4	Very low	69.7	Low	207 Å²	207	93.5 Å²	93.5	78%	0.781	50%	0.496	S	S	*	.			trans	-101.9	110.9	171.4	-75.9	-174.4	173.9	-173.8	-0.9	109.7	G315 S319	G315-R317 PolarHBondContact O-N 3.06Å; R317-S319 PolarHBondContact O-N 3.04Å
318	E	51.4	Low	69.8	Low	203 Å²	203	93.7 Å²	93.7	95%	0.949	51%	0.506	S	S	*	.			trans	-66.8	10.2	-175.7	-71.2	-179.3	153.1	0	0	115.9	A320	E318-A320 PolarHBondContact O-N 3.13Å; E318-A320 VanDerWaalsContact O-N 3.16Å
319	S	50.7	Low	70.1	Confident	99 Å²	99	92.2 Å²	92.2	69%	0.692	51%	0.508	S	S	*	.			trans	-84.9	94.2	169.1	-73	0	0	0	0	109	R317 G321	R317-S319 PolarHBondContact O-N 3.04Å; S319-G321 PolarHBondContact O-N 2.7Å
320	A	57.9	Low	70.8	Confident	85 Å²	85	92.6 Å²	92.6	70%	0.702	51%	0.511	S	S	*	.			trans	-63.2	76.8	165.9	0	0	0	0	0	109.7	E318 H322	E318-A320 PolarHBondContact O-N 3.13Å; E318-A320 VanDerWaalsContact O-N 3.16Å; A320-H322 PolarHBondContact O-ND1 2.94Å
321	G	73.1	Confident	71.6	Confident	29 Å²	29	90 Å²	90	30%	0.299	49%	0.494	S	S	.	.			trans	-66	147.1	171.4	0	0	0	0	0	110	I311 S319	I311-G321 PolarHBondContact N-O 2.74Å; I311-G321 VanDerWaalsContact N-O 3.11Å; S319-G321 PolarHBondContact O-N 2.7Å
322	H	76.6	Confident	72.7	Confident	82 Å²	82	92.2 Å²	92.2	38%	0.38	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.3	170.5	-62	82.7	0	0	0	107.9	K308 A320	K308-H322 HydrophobicContact CD-CB 4.48Å; K308-H322 WeakPolarHBondContact CE-CD2 3.31Å; K308-H322 VanDerWaalsContact CE-NE2 3.3Å; K308-H322 WeakPolarHBondContact CE-NE2 3.36Å; K308-H322 HydrophobicContact CG-CB 3.86Å; A320-H322 PolarHBondContact O-ND1 2.94Å
323	K	80.5	Confident	74.1	Confident	61 Å²	61	82.5 Å²	82.5	27%	0.265	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	156.9	164.1	68.9	176.3	-175	164.2	0	108.5	V309 I311	V309-K323 HydrophobicContact CB-CD 4.44Å; V309-K323 HydrophobicContact CB-CG 3.76Å; V309-K323 HydrophobicContact CG1-CG 4.33Å; V309-K323 PolarHBondContact N-O 3.05Å; V309-K323 PolarHBondContact O-N 3.37Å; I311-K323 HydrophobicContact CD1-CB 4.2Å; I311-K323 HydrophobicContact CG1-CB 4Å; I311-K323 HydrophobicContact CG1-CG 4.23Å
324	Y	85.8	Confident	75.9	Confident	88 Å²	88	78.5 Å²	78.5	35%	0.345	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.5	173.3	-66.2	-84.6	0	0	0	108.6	V294 L306 E307 K308 Y337	V294-Y324 HydrophobicContact CG2-CD1 4.29Å; V294-Y324 HydrophobicContact CG2-CE1 3.72Å; L306-Y324 HydrophobicContact CB-CD1 4.25Å; L306-Y324 HydrophobicContact CD1-CG 4.44Å; E307-Y324 CarbonylContact O-C 3.57Å; E307-Y324 VanDerWaalsContact O-CA 3.26Å; E307-Y324 WeakPolarHBondContact O-CA 3.42Å; K308-Y324 HydrophobicContact CB-CD1 4.08Å; K308-Y324 HydrophobicContact CB-CE1 3.77Å; K308-Y324 HydrophobicContact CD-CE1 4.28Å; K308-Y324 HydrophobicContact CG-CD1 4.44Å; K308-Y324 HydrophobicContact CG-CE1 3.84Å; Y324-Y337 WeakPolarHBondContact CB-OH 3.11Å; Y324-Y337 PolarHBondContact O-OH 2.77Å
325	S	85.8	Confident	77.9	Confident	38 Å²	38	72.4 Å²	72.4	27%	0.266	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.2	175.2	-172.5	0	0	0	0	108.9	L306 E307 M327	L306-S325 CarbonylContact C-O 3.59Å; L306-S325 VanDerWaalsContact CA-O 3.25Å; L306-S325 WeakPolarHBondContact CA-O 3.36Å; E307-S325 PolarHBondContact N-O 2.69Å; E307-S325 PolarHBondContact O-N 2.99Å; S325-M327 PolarHBondContact O-N 2.93Å
326	V	89.2	Confident	79.7	Confident	17 Å²	17	73.6 Å²	73.6	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.8	177	-178.3	0	0	0	0	109.8	L304 L306 M334 Y337 F355	L304-V326 HydrophobicContact CD1-CG1 3.99Å; L306-V326 HydrophobicContact CD2-CB 4.24Å; L306-V326 HydrophobicContact CD2-CG2 3.72Å; V326-M334 HydrophobicContact CG1-CE 4.24Å; V326-M334 HydrophobicContact CG1-CG 4.11Å; V326-Y337 HydrophobicContact CG2-CD1 3.45Å; V326-Y337 VanDerWaalsContact CG2-CD1 3.45Å; V326-Y337 HydrophobicContact CG2-CE1 3.54Å; V326-Y337 HydrophobicContact CG2-CG 4.35Å; V326-F355 HydrophobicContact CB-CD1 4.29Å; V326-F355 HydrophobicContact CB-CD2 3.73Å; V326-F355 HydrophobicContact CB-CE1 4.07Å; V326-F355 HydrophobicContact CB-CE2 3.48Å; V326-F355 VanDerWaalsContact CB-CE2 3.48Å; V326-F355 HydrophobicContact CB-CG 4.13Å; V326-F355 HydrophobicContact CB-CZ 3.65Å; V326-F355 HydrophobicContact CG1-CD2 4.4Å; V326-F355 HydrophobicContact CG1-CE1 4.47Å; V326-F355 HydrophobicContact CG1-CE2 3.67Å; V326-F355 HydrophobicContact CG1-CZ 3.7Å; V326-F355 HydrophobicContact CG2-CD1 3.78Å; V326-F355 HydrophobicContact CG2-CD2 4.16Å; V326-F355 HydrophobicContact CG2-CE1 3.54Å; V326-F355 HydrophobicContact CG2-CE2 3.95Å; V326-F355 HydrophobicContact CG2-CG 4.08Å; V326-F355 HydrophobicContact CG2-CZ 3.63Å
327	M	87	Confident	81.6	Confident	71 Å²	71	66.6 Å²	66.6	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-40.1	174.9	-68.3	-166	-84.5	0	0	112.3	T293 V305 L306 E307 S325	T293-M327 HydrophobicContact CG2-CE 3.65Å; V305-M327 HydrophobicContact CG1-CB 4.35Å; V305-M327 HydrophobicContact CG1-CE 3.61Å; V305-M327 WeakPolarHBondContact O-CB 3.2Å; V305-M327 PolarHBondContact O-N 2.82Å; L306-M327 VanDerWaalsContact C-CE 3.45Å; L306-M327 VanDerWaalsContact O-CE 3.31Å; L306-M327 WeakPolarHBondContact O-CE 3.48Å; E307-M327 HydrophobicContact CB-CE 3.88Å; E307-M327 HydrophobicContact CB-CG 3.8Å; E307-M327 HydrophobicContact CB-SD 3.87Å; S325-M327 PolarHBondContact O-N 2.93Å
328	A	91	Very high	83.4	Confident	51 Å²	51	57.5 Å²	57.5	42%	0.421	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	158.2	178.6	0	0	0	0	0	109.6	L304 V305	L304-A328 CarbonylContact C-O 3.49Å; V305-A328 HydrophobicContact CB-CB 4.3Å; V305-A328 PolarHBondContact N-O 2.93Å; V305-A328 PolarHBondContact O-N 3.44Å
329	G	93.9	Very high	85.1	Confident	31 Å²	31	48.7 Å²	48.7	32%	0.32	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	172.8	172.1	0	0	0	0	0	111.5	V303	V303-G329 CarbonylContact O-C 3.58Å; V303-G329 WeakPolarHBondContact O-CA 3.15Å
330	T	94.8	Very high	86.7	Confident	44 Å²	44	49.7 Å²	49.7	27%	0.27	28%	0.279	S	S	.	.			trans	-70.3	150.8	164	75.8	0	0	0	0	108.9	V303 E332 K333 M334	V303-T330 HydrophobicContact CB-CG2 4.11Å; V303-T330 HydrophobicContact CG1-CG2 4.18Å; V303-T330 PolarHBondContact O-N 3.13Å; T330-E332 WeakPolarHBondContact CB-OE2 3.45Å; T330-E332 PolarHBondContact O-N 2.73Å; T330-E332 PolarHBondContact OG1-OE2 2.92Å; T330-E332 VanDerWaalsContact OG1-OE2 3.05Å; T330-K333 PolarHBondContact O-N 3.41Å; T330-K333 VanDerWaalsContact O-N 3.14Å; T330-K333 PolarHBondContact OG1-N 3.06Å; T330-M334 VanDerWaalsContact O-CG 3.32Å; T330-M334 WeakPolarHBondContact O-CG 2.77Å; T330-M334 PolarHBondContact O-N 2.83Å
331	P	94.2	Very high	87.6	Confident	29 Å²	29	48.1 Å²	48.1	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-50.2	-42.4	178.1	-29	36.7	0	0	0	113.3	M334 L335 F366 M367	P331-M334 PolarHBondContact O-N 3.15Å; P331-L335 WeakPolarHBondContact O-CB 3.41Å; P331-L335 PolarHBondContact O-N 2.8Å; P331-F366 HydrophobicContact CB-CD2 3.94Å; P331-F366 HydrophobicContact CG-CB 4.34Å; P331-F366 HydrophobicContact CG-CD2 3.98Å; P331-F366 VanDerWaalsContact CG-O 3.3Å; P331-F366 WeakPolarHBondContact CG-O 3.39Å; P331-M367 HydrophobicContact CB-CB 4.11Å; P331-M367 HydrophobicContact CB-CE 3.32Å; P331-M367 WeakPolarHBondContact O-CE 3.45Å
332	E	93.5	Very high	87.4	Confident	106 Å²	106	50.4 Å²	50.4	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-43.7	-178.3	-54.6	73.8	-159.9	0	0	111.5	T330 L335 E336	T330-E332 WeakPolarHBondContact CB-OE2 3.45Å; T330-E332 PolarHBondContact O-N 2.73Å; T330-E332 PolarHBondContact OG1-OE2 2.92Å; T330-E332 VanDerWaalsContact OG1-OE2 3.05Å; E332-L335 PolarHBondContact O-N 3.04Å; E332-E336 WeakPolarHBondContact O-CB 3.3Å; E332-E336 PolarHBondContact O-N 2.83Å
333	K	93.4	Very high	86.5	Confident	23 Å²	23	50.9 Å²	50.9	10%	0.1	27%	0.265	C	S	.	.	H	α-helix	trans	-73	-31.4	179.3	-71.8	-55.5	-173.7	-173.8	0	113.5	L296 E298 V303 L304 T330 E336 Y337	L296-K333 HydrophobicContact CD2-CD 4.36Å; E298-K333 WeakPolarHBondContact OE1-CE 3.32Å; E298-K333 IonicContact OE1-NZ 2.79Å; E298-K333 PolarHBondContact OE1-NZ 3.35Å; E298-K333 WeakPolarHBondContact OE2-CE 3.49Å; V303-K333 HydrophobicContact CB-CG 3.87Å; V303-K333 HydrophobicContact CG2-CD 4.47Å; V303-K333 HydrophobicContact CG2-CG 3.84Å; V303-K333 WeakPolarHBondContact O-CB 3.11Å; L304-K333 HydrophobicContact CB-CB 4.22Å; T330-K333 PolarHBondContact O-N 3.41Å; T330-K333 VanDerWaalsContact O-N 3.14Å; T330-K333 PolarHBondContact OG1-N 3.06Å; K333-E336 VanDerWaalsContact CD-OE2 3.3Å; K333-E336 WeakPolarHBondContact CD-OE2 3.22Å; K333-E336 VanDerWaalsContact NZ-CD 3.26Å; K333-E336 IonicContact NZ-OE1 2.83Å; K333-E336 PolarHBondContact NZ-OE1 2.75Å; K333-E336 IonicContact NZ-OE2 2.94Å; K333-E336 PolarHBondContact NZ-OE2 2.82Å; K333-Y337 VanDerWaalsContact O-CB 3.25Å; K333-Y337 WeakPolarHBondContact O-CB 3.38Å; K333-Y337 PolarHBondContact O-N 2.6Å
334	M	93.2	Very high	85.2	Confident	25 Å²	25	55 Å²	55	12%	0.123	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-43.6	170.2	-71.6	175	69.8	0	0	111	L304 V326 T330 P331 L338 F355 F359 F366	L304-M334 HydrophobicContact CD1-CG 4.15Å; V326-M334 HydrophobicContact CG1-CE 4.24Å; V326-M334 HydrophobicContact CG1-CG 4.11Å; T330-M334 VanDerWaalsContact O-CG 3.32Å; T330-M334 WeakPolarHBondContact O-CG 2.77Å; T330-M334 PolarHBondContact O-N 2.83Å; P331-M334 PolarHBondContact O-N 3.15Å; M334-L338 WeakPolarHBondContact O-CB 3.12Å; M334-L338 PolarHBondContact O-N 3.42Å; M334-F355 HydrophobicContact CB-CZ 4.11Å; M334-F355 HydrophobicContact CE-CE2 3.54Å; M334-F355 HydrophobicContact CE-CZ 3.53Å; M334-F355 HydrophobicContact CG-CZ 4.35Å; M334-F359 HydrophobicContact CB-CD2 4.29Å; M334-F359 HydrophobicContact CB-CE2 3.92Å; M334-F359 HydrophobicContact CE-CD2 4.24Å; M334-F366 HydrophobicContact CE-CZ 4.43Å
335	L	92.4	Very high	83.8	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-48.1	176	179.7	62.2	0	0	0	111.9	P331 E332 Y337 L338 L339 F359 M367 L372 A375 L376	P331-L335 WeakPolarHBondContact O-CB 3.41Å; P331-L335 PolarHBondContact O-N 2.8Å; E332-L335 PolarHBondContact O-N 3.04Å; L335-Y337 VanDerWaalsContact C-N 3.33Å; L335-Y337 PolarHBondContact O-N 2.79Å; L335-L338 WeakPolarHBondContact O-CB 3.26Å; L335-L338 PolarHBondContact O-N 3.06Å; L335-L338 VanDerWaalsContact O-N 3.12Å; L335-L339 HydrophobicContact CD1-CD1 4.06Å; L335-L339 HydrophobicContact CD1-CD2 4.42Å; L335-L339 HydrophobicContact CD1-CG 4.11Å; L335-L339 HydrophobicContact CG-CD1 3.91Å; L335-L339 HydrophobicContact CG-CG 4.36Å; L335-L339 VanDerWaalsContact O-CG 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.21Å; L335-F359 HydrophobicContact CB-CZ 4.07Å; L335-F359 HydrophobicContact CD1-CE1 4.21Å; L335-F359 HydrophobicContact CD1-CZ 4.23Å; L335-M367 HydrophobicContact CB-CE 4.27Å; L335-M367 HydrophobicContact CD2-CE 4.25Å; L335-M367 HydrophobicContact CD2-SD 4.27Å; L335-L372 HydrophobicContact CD1-CD1 3.76Å; L335-L372 HydrophobicContact CD2-CD1 3.75Å; L335-L372 HydrophobicContact CG-CD1 4.39Å; L335-A375 HydrophobicContact CD2-CB 3.47Å; L335-A375 VanDerWaalsContact CD2-CB 3.47Å; L335-L376 HydrophobicContact CD1-CD2 4.1Å
336	E	90.7	Very high	82.1	Confident	70 Å²	70	60.9 Å²	60.9	33%	0.327	32%	0.323	S	S	.	.	H	α-helix	trans	-53.7	-49.9	176	-175.1	-180	137.9	0	0	110.7	E332 K333 L338 L339 E340	E332-E336 WeakPolarHBondContact O-CB 3.3Å; E332-E336 PolarHBondContact O-N 2.83Å; K333-E336 VanDerWaalsContact CD-OE2 3.3Å; K333-E336 WeakPolarHBondContact CD-OE2 3.22Å; K333-E336 VanDerWaalsContact NZ-CD 3.26Å; K333-E336 IonicContact NZ-OE1 2.83Å; K333-E336 PolarHBondContact NZ-OE1 2.75Å; K333-E336 IonicContact NZ-OE2 2.94Å; K333-E336 PolarHBondContact NZ-OE2 2.82Å; E336-L338 VanDerWaalsContact C-N 3.34Å; E336-L338 PolarHBondContact O-N 3.31Å; E336-L339 PolarHBondContact O-N 2.85Å; E336-E340 WeakPolarHBondContact O-CB 3.43Å; E336-E340 WeakPolarHBondContact O-CG 3.4Å; E336-E340 PolarHBondContact O-N 3.5Å
337	Y	89.4	Confident	80.2	Confident	33 Å²	33	69 Å²	69	13%	0.129	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-44.3	175.8	179	-97	0	0	0	112.7	L304 L306 Y324 V326 K333 L335 T341	L304-Y337 HydrophobicContact CD2-CD2 3.96Å; L304-Y337 HydrophobicContact CD2-CG 4.06Å; L306-Y337 HydrophobicContact CD1-CD2 4.21Å; L306-Y337 HydrophobicContact CD1-CE2 3.7Å; L306-Y337 HydrophobicContact CD2-CD2 4.4Å; L306-Y337 HydrophobicContact CD2-CE1 4.41Å; L306-Y337 HydrophobicContact CD2-CE2 4.16Å; Y324-Y337 WeakPolarHBondContact CB-OH 3.11Å; Y324-Y337 PolarHBondContact O-OH 2.77Å; V326-Y337 HydrophobicContact CG2-CD1 3.45Å; V326-Y337 VanDerWaalsContact CG2-CD1 3.45Å; V326-Y337 HydrophobicContact CG2-CE1 3.54Å; V326-Y337 HydrophobicContact CG2-CG 4.35Å; K333-Y337 VanDerWaalsContact O-CB 3.25Å; K333-Y337 WeakPolarHBondContact O-CB 3.38Å; K333-Y337 PolarHBondContact O-N 2.6Å; L335-Y337 VanDerWaalsContact C-N 3.33Å; L335-Y337 PolarHBondContact O-N 2.79Å; Y337-T341 HydrophobicContact CD2-CG2 3.91Å; Y337-T341 HydrophobicContact CE1-CG2 4.44Å; Y337-T341 HydrophobicContact CE2-CG2 3.57Å; Y337-T341 HydrophobicContact CG-CG2 4.47Å; Y337-T341 WeakPolarHBondContact O-CB 3.45Å; Y337-T341 WeakPolarHBondContact O-CG2 3.13Å; Y337-T341 PolarHBondContact O-N 2.8Å; Y337-T341 PolarHBondContact O-OG1 3.44Å
338	L	87.7	Confident	78.6	Confident	15 Å²	15	72.4 Å²	72.4	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-46.5	177.6	-174.2	74.9	0	0	0	110.9	M334 L335 E336 R342 F355 M356 F359	M334-L338 WeakPolarHBondContact O-CB 3.12Å; M334-L338 PolarHBondContact O-N 3.42Å; L335-L338 WeakPolarHBondContact O-CB 3.26Å; L335-L338 PolarHBondContact O-N 3.06Å; L335-L338 VanDerWaalsContact O-N 3.12Å; E336-L338 VanDerWaalsContact C-N 3.34Å; E336-L338 PolarHBondContact O-N 3.31Å; L338-R342 HydrophobicContact CD1-CG 4.12Å; L338-R342 VanDerWaalsContact O-CB 3.22Å; L338-R342 WeakPolarHBondContact O-CB 3.25Å; L338-R342 PolarHBondContact O-N 3.48Å; L338-R342 VanDerWaalsContact O-N 3.08Å; L338-F355 HydrophobicContact CD1-CD1 4.02Å; L338-F355 HydrophobicContact CD1-CE1 4.3Å; L338-M356 HydrophobicContact CD1-CB 3.78Å; L338-M356 HydrophobicContact CD1-CE 4.03Å; L338-M356 HydrophobicContact CD1-CG 4.05Å; L338-M356 HydrophobicContact CD2-CG 4.38Å; L338-M356 HydrophobicContact CG-CE 4.4Å; L338-F359 HydrophobicContact CD2-CD1 4.26Å
339	L	86.4	Confident	76.7	Confident	19 Å²	19	78.2 Å²	78.2	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-67.3	-44	-178	-62	171	0	0	0	111.7	L335 E336 I343 L376 Y379	L335-L339 HydrophobicContact CD1-CD1 4.06Å; L335-L339 HydrophobicContact CD1-CD2 4.42Å; L335-L339 HydrophobicContact CD1-CG 4.11Å; L335-L339 HydrophobicContact CG-CD1 3.91Å; L335-L339 HydrophobicContact CG-CG 4.36Å; L335-L339 VanDerWaalsContact O-CG 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.21Å; E336-L339 PolarHBondContact O-N 2.85Å; L339-I343 HydrophobicContact CB-CD1 4.02Å; L339-I343 HydrophobicContact CD2-CD1 3.44Å; L339-I343 VanDerWaalsContact CD2-CD1 3.44Å; L339-I343 HydrophobicContact CD2-CG1 4.34Å; L339-I343 HydrophobicContact CG-CD1 4.33Å; L339-L376 HydrophobicContact CD1-CD2 4.22Å; L339-L376 HydrophobicContact CD2-CD2 3.77Å; L339-Y379 HydrophobicContact CB-CD1 4.36Å; L339-Y379 HydrophobicContact CB-CD2 4.32Å; L339-Y379 HydrophobicContact CB-CE1 3.9Å; L339-Y379 HydrophobicContact CB-CE2 3.84Å; L339-Y379 HydrophobicContact CD1-CD1 3.86Å; L339-Y379 HydrophobicContact CD1-CD2 3.71Å; L339-Y379 HydrophobicContact CD1-CE1 4.26Å; L339-Y379 HydrophobicContact CD1-CE2 4.12Å; L339-Y379 HydrophobicContact CD1-CG 3.57Å; L339-Y379 HydrophobicContact CD2-CD1 4.49Å; L339-Y379 HydrophobicContact CG-CD1 4.46Å; L339-Y379 HydrophobicContact CG-CE1 4.45Å
340	E	84	Confident	74.6	Confident	120 Å²	120	80.9 Å²	80.9	56%	0.561	42%	0.42	S	S	*	.	H	α-helix	trans	-69.9	-34.7	-179.2	-71.6	-176.6	167.9	0	0	114.1	E336	E336-E340 WeakPolarHBondContact O-CB 3.43Å; E336-E340 WeakPolarHBondContact O-CG 3.4Å; E336-E340 PolarHBondContact O-N 3.5Å
341	T	77.5	Confident	72.5	Confident	52 Å²	52	82.7 Å²	82.7	32%	0.319	43%	0.427	S	S	.	.	H	α-helix	trans	-98.5	-20	-173	61.2	0	0	0	0	114.4	Y337 C345	Y337-T341 HydrophobicContact CD2-CG2 3.91Å; Y337-T341 HydrophobicContact CE1-CG2 4.44Å; Y337-T341 HydrophobicContact CE2-CG2 3.57Å; Y337-T341 HydrophobicContact CG-CG2 4.47Å; Y337-T341 WeakPolarHBondContact O-CB 3.45Å; Y337-T341 WeakPolarHBondContact O-CG2 3.13Å; Y337-T341 PolarHBondContact O-N 2.8Å; Y337-T341 PolarHBondContact O-OG1 3.44Å; T341-C345 PolarHBondContact O-SG 3.5Å
342	R	68.6	Low	70.4	Confident	76 Å²	76	88 Å²	88	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-117.2	-27.4	-169	-66.9	-90.8	175.2	-163.3	-21.5	115.6	L338 D344 C345 D353 M356	L338-R342 HydrophobicContact CD1-CG 4.12Å; L338-R342 VanDerWaalsContact O-CB 3.22Å; L338-R342 WeakPolarHBondContact O-CB 3.25Å; L338-R342 PolarHBondContact O-N 3.48Å; L338-R342 VanDerWaalsContact O-N 3.08Å; R342-D344 PolarHBondContact O-N 3.32Å; R342-D344 VanDerWaalsContact O-N 3.15Å; R342-C345 PolarHBondContact O-N 3.03Å; R342-D353 VanDerWaalsContact CZ-CB 3.43Å; R342-D353 IonicContact CZ-OD2 2.6Å; R342-D353 VanDerWaalsContact CZ-OD2 3.22Å; R342-D353 IonicContact NE-OD2 2.75Å; R342-D353 PolarHBondContact NE-OD2 2.8Å; R342-D353 IonicContact NH2-OD2 3.35Å; R342-D353 PolarHBondContact NH2-OD2 3.16Å; R342-M356 HydrophobicContact CB-CE 3.67Å; R342-M356 HydrophobicContact CG-CE 4.24Å
343	I	57.9	Low	68.9	Low	93 Å²	93	84.2 Å²	84.2	48%	0.477	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.6	-177.7	-70.8	177.9	0	0	0	111.2	L339 Y379	L339-I343 HydrophobicContact CB-CD1 4.02Å; L339-I343 HydrophobicContact CD2-CD1 3.44Å; L339-I343 VanDerWaalsContact CD2-CD1 3.44Å; L339-I343 HydrophobicContact CD2-CG1 4.34Å; L339-I343 HydrophobicContact CG-CD1 4.33Å; I343-Y379 HydrophobicContact CD1-CE1 4.07Å
344	D	53.1	Low	67.9	Low	148 Å²	148	85.9 Å²	85.9	79%	0.791	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.8	177.9	-64.8	-28.9	0	0	0	114.4	R342 E346	R342-D344 PolarHBondContact O-N 3.32Å; R342-D344 VanDerWaalsContact O-N 3.15Å; D344-E346 PolarHBondContact O-N 2.94Å
345	C	56.2	Low	67.4	Low	69 Å²	69	85.6 Å²	85.6	47%	0.466	45%	0.446	S	S	.	.			trans	-96	56.8	-176.4	-73.4	0	0	0	0	113	T341 R342 K347	T341-C345 PolarHBondContact O-SG 3.5Å; R342-C345 PolarHBondContact O-N 3.03Å; C345-K347 PolarHBondContact O-N 2.82Å
346	E	50.7	Low	66.9	Low	180 Å²	180	88.7 Å²	88.7	84%	0.841	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-1.5	176.1	-77.5	-167.6	154.9	0	0	114.8	D344	D344-E346 PolarHBondContact O-N 2.94Å
347	K	49.5	Very low	66.7	Low	186 Å²	186	90 Å²	90	81%	0.809	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	1.7	-163.1	-68.7	-171.1	180	175.8	0	119	C345	C345-K347 PolarHBondContact O-N 2.82Å
348	D	53.1	Low	66.6	Low	143 Å²	143	92 Å²	92	77%	0.765	48%	0.48	S	S	*	.			trans	-105.8	77.8	177.9	-85.1	-22.2	0	0	0	112	A350	D348-A350 PolarHBondContact O-N 2.98Å; D348-A350 VanDerWaalsContact O-N 3.11Å
349	D	50.1	Low	66.7	Low	174 Å²	174	91.5 Å²	91.5	93%	0.93	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.3	171.6	-92.4	-22.3	0	0	0	113.9
350	A	50	Low	66.8	Low	87 Å²	87	95.3 Å²	95.3	72%	0.719	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.7	-159.3	0	0	0	0	0	115.9	D348	D348-A350 PolarHBondContact O-N 2.98Å; D348-A350 VanDerWaalsContact O-N 3.11Å
351	I	50	Low	67.1	Low	82 Å²	82	97.4 Å²	97.4	42%	0.421	50%	0.504	S	S	.	.	S	Bend	trans	-148.8	102.5	176.9	-53.8	178	0	0	0	108.7	I311 D353	I311-I351 HydrophobicContact CG2-CD1 4.39Å; I351-D353 PolarHBondContact O-N 3.14Å
352	L	50.8	Low	67.9	Low	141 Å²	141	97.6 Å²	97.6	74%	0.738	51%	0.506	S	S	*	.			trans	-38.7	96.8	169.6	-72	146.4	0	0	0	110.5	T354	L352-T354 HydrophobicContact CB-CG2 4.31Å; L352-T354 PolarHBondContact O-N 2.88Å
353	D	61.9	Low	69.1	Low	25 Å²	25	95.1 Å²	95.1	13%	0.134	50%	0.497	C	S	.	.			trans	-84.5	98.2	154.2	-178.4	7.2	0	0	0	105.1	R342 I351 F355	R342-D353 VanDerWaalsContact CZ-CB 3.43Å; R342-D353 IonicContact CZ-OD2 2.6Å; R342-D353 VanDerWaalsContact CZ-OD2 3.22Å; R342-D353 IonicContact NE-OD2 2.75Å; R342-D353 PolarHBondContact NE-OD2 2.8Å; R342-D353 IonicContact NH2-OD2 3.35Å; R342-D353 PolarHBondContact NH2-OD2 3.16Å; I351-D353 PolarHBondContact O-N 3.14Å; D353-F355 PolarHBondContact O-N 3.18Å; D353-F355 VanDerWaalsContact O-N 3.15Å; D353-F355 WeakPolarHBondContact OD1-CB 3.44Å; D353-F355 PolarHBondContact OD1-N 3.28Å
354	T	73.2	Confident	70.9	Confident	58 Å²	58	96.3 Å²	96.3	36%	0.356	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-6.8	179	57	0	0	0	0	111.2	L352 M356 E357 D358	L352-T354 HydrophobicContact CB-CG2 4.31Å; L352-T354 PolarHBondContact O-N 2.88Å; T354-M356 VanDerWaalsContact C-N 3.27Å; T354-M356 PolarHBondContact O-N 3.05Å; T354-M356 VanDerWaalsContact O-N 3.13Å; T354-E357 CarbonylContact O-C 3.58Å; T354-E357 WeakPolarHBondContact O-CA 3.18Å; T354-E357 WeakPolarHBondContact O-CB 3.45Å; T354-E357 PolarHBondContact O-N 3.32Å; T354-D358 VanDerWaalsContact CB-OD2 3.3Å; T354-D358 WeakPolarHBondContact CB-OD2 3.45Å; T354-D358 WeakPolarHBondContact O-CB 3.42Å; T354-D358 VanDerWaalsContact O-CG 3.23Å; T354-D358 PolarHBondContact O-N 3.4Å; T354-D358 PolarHBondContact OG1-OD2 2.85Å
355	F	81.7	Confident	72.8	Confident	20 Å²	20	96.2 Å²	96.2	9%	0.088	50%	0.502	C	S	.	.	H	α-helix	trans	-56.2	-38.2	-173	-177.3	-110	0	0	0	113.8	V326 M334 L338 D353 F359	V326-F355 HydrophobicContact CB-CD1 4.29Å; V326-F355 HydrophobicContact CB-CD2 3.73Å; V326-F355 HydrophobicContact CB-CE1 4.07Å; V326-F355 HydrophobicContact CB-CE2 3.48Å; V326-F355 VanDerWaalsContact CB-CE2 3.48Å; V326-F355 HydrophobicContact CB-CG 4.13Å; V326-F355 HydrophobicContact CB-CZ 3.65Å; V326-F355 HydrophobicContact CG1-CD2 4.4Å; V326-F355 HydrophobicContact CG1-CE1 4.47Å; V326-F355 HydrophobicContact CG1-CE2 3.67Å; V326-F355 HydrophobicContact CG1-CZ 3.7Å; V326-F355 HydrophobicContact CG2-CD1 3.78Å; V326-F355 HydrophobicContact CG2-CD2 4.16Å; V326-F355 HydrophobicContact CG2-CE1 3.54Å; V326-F355 HydrophobicContact CG2-CE2 3.95Å; V326-F355 HydrophobicContact CG2-CG 4.08Å; V326-F355 HydrophobicContact CG2-CZ 3.63Å; M334-F355 HydrophobicContact CB-CZ 4.11Å; M334-F355 HydrophobicContact CE-CE2 3.54Å; M334-F355 HydrophobicContact CE-CZ 3.53Å; M334-F355 HydrophobicContact CG-CZ 4.35Å; L338-F355 HydrophobicContact CD1-CD1 4.02Å; L338-F355 HydrophobicContact CD1-CE1 4.3Å; D353-F355 PolarHBondContact O-N 3.18Å; D353-F355 VanDerWaalsContact O-N 3.15Å; D353-F355 WeakPolarHBondContact OD1-CB 3.44Å; D353-F355 PolarHBondContact OD1-N 3.28Å; F355-F359 HydrophobicContact CZ-CB 4.46Å; F355-F359 HydrophobicContact CZ-CD2 4.1Å; F355-F359 WeakPolarHBondContact O-CB 3.31Å; F355-F359 PolarHBondContact O-N 2.99Å
356	M	83.3	Confident	74.6	Confident	72 Å²	72	96.1 Å²	96.1	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-47.7	174.4	-175.9	179.5	-72.2	0	0	111.4	L338 R342 T354 F359 I360	L338-M356 HydrophobicContact CD1-CB 3.78Å; L338-M356 HydrophobicContact CD1-CE 4.03Å; L338-M356 HydrophobicContact CD1-CG 4.05Å; L338-M356 HydrophobicContact CD2-CG 4.38Å; L338-M356 HydrophobicContact CG-CE 4.4Å; R342-M356 HydrophobicContact CB-CE 3.67Å; R342-M356 HydrophobicContact CG-CE 4.24Å; T354-M356 VanDerWaalsContact C-N 3.27Å; T354-M356 PolarHBondContact O-N 3.05Å; T354-M356 VanDerWaalsContact O-N 3.13Å; M356-F359 PolarHBondContact O-N 3.11Å; M356-I360 HydrophobicContact CG-CD1 3.86Å; M356-I360 WeakPolarHBondContact O-CB 3.32Å; M356-I360 WeakPolarHBondContact O-CG1 3.25Å; M356-I360 PolarHBondContact O-N 3.41Å
357	E	85.7	Confident	76.7	Confident	98 Å²	98	87.8 Å²	87.8	46%	0.458	46%	0.455	S	S	.	.	H	α-helix	trans	-62.6	-48.7	178.5	-63.2	179.7	178.6	0	0	110.4	T354 F359 I360 F361	T354-E357 CarbonylContact O-C 3.58Å; T354-E357 WeakPolarHBondContact O-CA 3.18Å; T354-E357 WeakPolarHBondContact O-CB 3.45Å; T354-E357 PolarHBondContact O-N 3.32Å; E357-F359 PolarHBondContact O-N 3.11Å; E357-I360 PolarHBondContact O-N 2.98Å; E357-F361 HydrophobicContact CB-CD2 4.17Å; E357-F361 HydrophobicContact CB-CE2 3.97Å; E357-F361 WeakPolarHBondContact O-CB 3.44Å; E357-F361 WeakPolarHBondContact O-CD2 3.32Å; E357-F361 VanDerWaalsContact O-CG 3.3Å; E357-F361 WeakPolarHBondContact O-CG 3.42Å; E357-F361 PolarHBondContact O-N 3.11Å
358	D	87.2	Confident	78.9	Confident	74 Å²	74	81.5 Å²	81.5	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-58.2	-46.7	176.9	-66.3	-30.7	0	0	0	110.8	T354 F361 T362	T354-D358 VanDerWaalsContact CB-OD2 3.3Å; T354-D358 WeakPolarHBondContact CB-OD2 3.45Å; T354-D358 WeakPolarHBondContact O-CB 3.42Å; T354-D358 VanDerWaalsContact O-CG 3.23Å; T354-D358 PolarHBondContact O-N 3.4Å; T354-D358 PolarHBondContact OG1-OD2 2.85Å; D358-F361 PolarHBondContact O-N 3.24Å; D358-T362 VanDerWaalsContact O-CB 3.27Å; D358-T362 WeakPolarHBondContact O-CB 3.34Å; D358-T362 WeakPolarHBondContact O-CG2 3.43Å; D358-T362 PolarHBondContact O-N 3.21Å; D358-T362 PolarHBondContact O-OG1 3.03Å
359	F	90.3	Very high	80.9	Confident	5 Å²	5	77.9 Å²	77.9	2%	0.022	42%	0.416	C	S	.	.	H	α-helix	trans	-60.2	-49.7	176.1	-175.8	-83.8	0	0	0	110.5	M334 L335 L338 F355 M356 E357 F361 T362 H363 F366 M367 L372	M334-F359 HydrophobicContact CB-CD2 4.29Å; M334-F359 HydrophobicContact CB-CE2 3.92Å; M334-F359 HydrophobicContact CE-CD2 4.24Å; L335-F359 HydrophobicContact CB-CZ 4.07Å; L335-F359 HydrophobicContact CD1-CE1 4.21Å; L335-F359 HydrophobicContact CD1-CZ 4.23Å; L338-F359 HydrophobicContact CD2-CD1 4.26Å; F355-F359 HydrophobicContact CZ-CB 4.46Å; F355-F359 HydrophobicContact CZ-CD2 4.1Å; F355-F359 WeakPolarHBondContact O-CB 3.31Å; F355-F359 PolarHBondContact O-N 2.99Å; M356-F359 PolarHBondContact O-N 3.11Å; E357-F359 PolarHBondContact O-N 3.11Å; F359-F361 VanDerWaalsContact C-N 3.34Å; F359-F361 PolarHBondContact O-N 2.92Å; F359-T362 PolarHBondContact O-N 2.66Å; F359-H363 HydrophobicContact CD1-CB 4.46Å; F359-H363 HydrophobicContact CE1-CB 4.22Å; F359-H363 WeakPolarHBondContact O-CA 3.17Å; F359-H363 VanDerWaalsContact O-CB 3.26Å; F359-H363 WeakPolarHBondContact O-CB 3.22Å; F359-H363 PolarHBondContact O-N 3.02Å; F359-F366 HydrophobicContact CD2-CE2 4.06Å; F359-F366 AromaticContact CD2-CZ 3.83Å; F359-F366 HydrophobicContact CD2-CZ 3.83Å; F359-F366 AromaticContact CE2-CE2 3.59Å; F359-F366 HydrophobicContact CE2-CE2 3.59Å; F359-F366 AromaticContact CE2-CZ 3.88Å; F359-F366 HydrophobicContact CE2-CZ 3.88Å; F359-F366 HydrophobicContact CG-CZ 4.48Å; F359-F366 HydrophobicContact CZ-CE2 4.1Å; F359-M367 HydrophobicContact CZ-CE 4.44Å; F359-M367 HydrophobicContact CZ-SD 4.3Å; F359-L372 HydrophobicContact CE1-CD1 4.04Å; F359-L372 HydrophobicContact CZ-CD1 4.44Å
360	I	89	Confident	83.1	Confident	98 Å²	98	74.4 Å²	74.4	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-43.9	179.4	-68.8	167.2	0	0	0	110.8	M356 E357 T362 H363	M356-I360 HydrophobicContact CG-CD1 3.86Å; M356-I360 WeakPolarHBondContact O-CB 3.32Å; M356-I360 WeakPolarHBondContact O-CG1 3.25Å; M356-I360 PolarHBondContact O-N 3.41Å; E357-I360 PolarHBondContact O-N 2.98Å; I360-T362 VanDerWaalsContact C-N 3.33Å; I360-T362 PolarHBondContact O-N 3.39Å; I360-H363 PolarHBondContact O-ND1 2.88Å
361	F	90.1	Very high	85.2	Confident	164 Å²	164	74.8 Å²	74.8	72%	0.719	39%	0.385	S	S	*	.	H	α-helix	trans	-69.5	-28.9	-179.8	-71.7	-48.6	0	0	0	113.4	E357 D358 F359	E357-F361 HydrophobicContact CB-CD2 4.17Å; E357-F361 HydrophobicContact CB-CE2 3.97Å; E357-F361 WeakPolarHBondContact O-CB 3.44Å; E357-F361 WeakPolarHBondContact O-CD2 3.32Å; E357-F361 VanDerWaalsContact O-CG 3.3Å; E357-F361 WeakPolarHBondContact O-CG 3.42Å; E357-F361 PolarHBondContact O-N 3.11Å; D358-F361 PolarHBondContact O-N 3.24Å; F359-F361 VanDerWaalsContact C-N 3.34Å; F359-F361 PolarHBondContact O-N 2.92Å
362	T	92.7	Very high	87.3	Confident	56 Å²	56	72 Å²	72	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-112.4	-7	-171.3	65.5	0	0	0	0	114.7	D358 F359 I360 L364 I365 F366	D358-T362 VanDerWaalsContact O-CB 3.27Å; D358-T362 WeakPolarHBondContact O-CB 3.34Å; D358-T362 WeakPolarHBondContact O-CG2 3.43Å; D358-T362 PolarHBondContact O-N 3.21Å; D358-T362 PolarHBondContact O-OG1 3.03Å; F359-T362 PolarHBondContact O-N 2.66Å; I360-T362 VanDerWaalsContact C-N 3.33Å; I360-T362 PolarHBondContact O-N 3.39Å; T362-L364 PolarHBondContact O-N 3.12Å; T362-I365 WeakPolarHBondContact O-CB 3.07Å; T362-I365 WeakPolarHBondContact O-CG1 3.26Å; T362-I365 PolarHBondContact O-N 3.27Å; T362-F366 WeakPolarHBondContact O-CE1 3.46Å
363	H	94.4	Very high	89.4	Confident	24 Å²	24	68.5 Å²	68.5	11%	0.111	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-51.2	-38.7	-174.7	75.5	-68.1	0	0	0	113.2	F359 I360 I365 F366 M367 T369 L372	F359-H363 HydrophobicContact CD1-CB 4.46Å; F359-H363 HydrophobicContact CE1-CB 4.22Å; F359-H363 WeakPolarHBondContact O-CA 3.17Å; F359-H363 VanDerWaalsContact O-CB 3.26Å; F359-H363 WeakPolarHBondContact O-CB 3.22Å; F359-H363 PolarHBondContact O-N 3.02Å; I360-H363 PolarHBondContact O-ND1 2.88Å; H363-I365 PolarHBondContact O-N 3.02Å; H363-F366 HydrophobicContact CB-CE2 4.34Å; H363-F366 HydrophobicContact CB-CZ 4.26Å; H363-F366 CarbonylContact O-C 3.56Å; H363-F366 PolarHBondContact O-N 2.9Å; H363-M367 CarbonylContact C-O 3.51Å; H363-M367 PolarHBondContact CD2-O 3.4Å; H363-M367 VanDerWaalsContact CD2-O 3.25Å; H363-M367 CarbonylContact O-C 3.49Å; H363-M367 WeakPolarHBondContact O-CA 3.4Å; H363-M367 PolarHBondContact O-N 3.26Å; H363-T369 PolarHBondContact NE2-OG1 3.4Å; H363-L372 HydrophobicContact CB-CD2 4.47Å; H363-L372 VanDerWaalsContact CD2-CD2 3.48Å; H363-L372 WeakPolarHBondContact CD2-CD2 3.3Å
364	L	95	Very high	90.9	Very high	119 Å²	119	72 Å²	72	62%	0.623	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-56.1	-20.4	179.8	-68.7	176.8	0	0	0	114.5	T362 T369	T362-L364 PolarHBondContact O-N 3.12Å; L364-T369 VanDerWaalsContact CD2-OG1 3.31Å; L364-T369 WeakPolarHBondContact CD2-OG1 3.44Å
365	I	94.4	Very high	91.8	Very high	146 Å²	146	70.8 Å²	70.8	75%	0.749	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-73.1	-30	177.1	-59.7	174.7	0	0	0	111.3	T362 H363	T362-I365 WeakPolarHBondContact O-CB 3.07Å; T362-I365 WeakPolarHBondContact O-CG1 3.26Å; T362-I365 PolarHBondContact O-N 3.27Å; H363-I365 PolarHBondContact O-N 3.02Å
366	F	93.7	Very high	92.3	Very high	67 Å²	67	73.1 Å²	73.1	29%	0.294	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-12.6	-168.3	57.9	-102.1	0	0	0	115.3	P331 M334 F359 T362 H363	P331-F366 HydrophobicContact CB-CD2 3.94Å; P331-F366 HydrophobicContact CG-CB 4.34Å; P331-F366 HydrophobicContact CG-CD2 3.98Å; P331-F366 VanDerWaalsContact CG-O 3.3Å; P331-F366 WeakPolarHBondContact CG-O 3.39Å; M334-F366 HydrophobicContact CE-CZ 4.43Å; F359-F366 HydrophobicContact CD2-CE2 4.06Å; F359-F366 AromaticContact CD2-CZ 3.83Å; F359-F366 HydrophobicContact CD2-CZ 3.83Å; F359-F366 AromaticContact CE2-CE2 3.59Å; F359-F366 HydrophobicContact CE2-CE2 3.59Å; F359-F366 AromaticContact CE2-CZ 3.88Å; F359-F366 HydrophobicContact CE2-CZ 3.88Å; F359-F366 HydrophobicContact CG-CZ 4.48Å; F359-F366 HydrophobicContact CZ-CE2 4.1Å; T362-F366 WeakPolarHBondContact O-CE1 3.46Å; H363-F366 HydrophobicContact CB-CE2 4.34Å; H363-F366 HydrophobicContact CB-CZ 4.26Å; H363-F366 CarbonylContact O-C 3.56Å; H363-F366 PolarHBondContact O-N 2.9Å
367	M	94.9	Very high	92.7	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.02	39%	0.387	C	S	.	.	S	Bend	trans	-147	101.8	179	-172.4	-177.5	-75.2	0	0	109.5	P331 L335 F359 H363 E371 L372	P331-M367 HydrophobicContact CB-CB 4.11Å; P331-M367 HydrophobicContact CB-CE 3.32Å; P331-M367 WeakPolarHBondContact O-CE 3.45Å; L335-M367 HydrophobicContact CB-CE 4.27Å; L335-M367 HydrophobicContact CD2-CE 4.25Å; L335-M367 HydrophobicContact CD2-SD 4.27Å; F359-M367 HydrophobicContact CZ-CE 4.44Å; F359-M367 HydrophobicContact CZ-SD 4.3Å; H363-M367 CarbonylContact C-O 3.51Å; H363-M367 PolarHBondContact CD2-O 3.4Å; H363-M367 VanDerWaalsContact CD2-O 3.25Å; H363-M367 CarbonylContact O-C 3.49Å; H363-M367 WeakPolarHBondContact O-CA 3.4Å; H363-M367 PolarHBondContact O-N 3.26Å; M367-E371 HydrophobicContact CG-CB 4.13Å; M367-L372 HydrophobicContact CG-CB 4.08Å; M367-L372 VanDerWaalsContact SD-CA 3.57Å; M367-L372 HydrophobicContact SD-CB 3.62Å; M367-L372 HydrophobicContact SD-CD1 3.7Å; M367-L372 HydrophobicContact SD-CG 4.22Å
368	P	94.9	Very high	92.9	Very high	54 Å²	54	72.1 Å²	72.1	35%	0.351	39%	0.387	S	S	.	.			trans	-54.3	147.6	173.5	-27.5	36.6	0	0	0	112.7	N370 E371 L372	P368-N370 WeakPolarHBondContact CB-OD1 3.4Å; P368-N370 PolarHBondContact O-N 2.9Å; P368-N370 VanDerWaalsContact O-N 3.13Å; P368-E371 WeakPolarHBondContact O-CB 3.33Å; P368-E371 PolarHBondContact O-N 2.98Å; P368-L372 PolarHBondContact O-N 3.48Å
369	T	95.4	Very high	92.8	Very high	68 Å²	68	72.7 Å²	72.7	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-56.5	-35.1	-176.2	-52.3	0	0	0	0	113.3	H363 L364 E371 L372 C373	H363-T369 PolarHBondContact NE2-OG1 3.4Å; L364-T369 VanDerWaalsContact CD2-OG1 3.31Å; L364-T369 WeakPolarHBondContact CD2-OG1 3.44Å; T369-E371 VanDerWaalsContact C-N 3.34Å; T369-E371 PolarHBondContact O-N 3.31Å; T369-L372 PolarHBondContact O-N 2.75Å; T369-C373 VanDerWaalsContact O-CB 3.31Å; T369-C373 WeakPolarHBondContact O-CB 3.27Å; T369-C373 PolarHBondContact O-N 2.75Å; T369-C373 PolarHBondContact O-SG 2.73Å
370	N	95.6	Very high	92.5	Very high	100 Å²	100	80.4 Å²	80.4	54%	0.535	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-37.7	176.1	59.6	-62	0	0	0	112.4	P368 N374	P368-N370 WeakPolarHBondContact CB-OD1 3.4Å; P368-N370 PolarHBondContact O-N 2.9Å; P368-N370 VanDerWaalsContact O-N 3.13Å; N370-N374 WeakPolarHBondContact O-CB 3.37Å; N370-N374 PolarHBondContact O-N 3.32Å; N370-N374 PolarHBondContact O-ND2 3.25Å; N370-N374 VanDerWaalsContact O-ND2 3.16Å
371	E	94.8	Very high	92.4	Very high	95 Å²	95	81.9 Å²	81.9	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-70.8	-44.2	176.4	-67.5	-179.7	-169.4	0	0	111	M367 P368 T369 C373 N374 A375	M367-E371 HydrophobicContact CG-CB 4.13Å; P368-E371 WeakPolarHBondContact O-CB 3.33Å; P368-E371 PolarHBondContact O-N 2.98Å; T369-E371 VanDerWaalsContact C-N 3.34Å; T369-E371 PolarHBondContact O-N 3.31Å; E371-C373 PolarHBondContact O-N 2.97Å; E371-N374 PolarHBondContact O-N 3.16Å; E371-A375 WeakPolarHBondContact O-CB 3.48Å; E371-A375 PolarHBondContact O-N 2.96Å
372	L	94.7	Very high	92.1	Very high	24 Å²	24	80.1 Å²	80.1	13%	0.126	41%	0.414	C	S	.	.	H	α-helix	trans	-57.7	-50.3	173.9	177.4	57.7	0	0	0	111.5	L335 F359 H363 M367 P368 T369 N374 A375 L376	L335-L372 HydrophobicContact CD1-CD1 3.76Å; L335-L372 HydrophobicContact CD2-CD1 3.75Å; L335-L372 HydrophobicContact CG-CD1 4.39Å; F359-L372 HydrophobicContact CE1-CD1 4.04Å; F359-L372 HydrophobicContact CZ-CD1 4.44Å; H363-L372 HydrophobicContact CB-CD2 4.47Å; H363-L372 VanDerWaalsContact CD2-CD2 3.48Å; H363-L372 WeakPolarHBondContact CD2-CD2 3.3Å; M367-L372 HydrophobicContact CG-CB 4.08Å; M367-L372 VanDerWaalsContact SD-CA 3.57Å; M367-L372 HydrophobicContact SD-CB 3.62Å; M367-L372 HydrophobicContact SD-CD1 3.7Å; M367-L372 HydrophobicContact SD-CG 4.22Å; P368-L372 PolarHBondContact O-N 3.48Å; T369-L372 PolarHBondContact O-N 2.75Å; L372-N374 VanDerWaalsContact C-N 3.32Å; L372-N374 PolarHBondContact O-N 3.15Å; L372-A375 PolarHBondContact O-N 2.94Å; L372-L376 HydrophobicContact CD1-CD1 3.97Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CG-CD1 3.98Å; L372-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 WeakPolarHBondContact O-CB 3.33Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.3Å; L372-L376 PolarHBondContact O-N 2.83Å
373	C	94.3	Very high	91	Very high	67 Å²	67	80.6 Å²	80.6	45%	0.453	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-40.1	178.2	-71.9	0	0	0	0	112.3	T369 E371 S377	T369-C373 VanDerWaalsContact O-CB 3.31Å; T369-C373 WeakPolarHBondContact O-CB 3.27Å; T369-C373 PolarHBondContact O-N 2.75Å; T369-C373 PolarHBondContact O-SG 2.73Å; E371-C373 PolarHBondContact O-N 2.97Å; C373-S377 WeakPolarHBondContact O-CB 2.86Å; C373-S377 PolarHBondContact O-N 3.19Å
374	N	94	Very high	89.1	Confident	98 Å²	98	83.8 Å²	83.8	52%	0.524	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176	-73.7	-18.8	0	0	0	111.4	N370 E371 L372 S377 I378	N370-N374 WeakPolarHBondContact O-CB 3.37Å; N370-N374 PolarHBondContact O-N 3.32Å; N370-N374 PolarHBondContact O-ND2 3.25Å; N370-N374 VanDerWaalsContact O-ND2 3.16Å; E371-N374 PolarHBondContact O-N 3.16Å; L372-N374 VanDerWaalsContact C-N 3.32Å; L372-N374 PolarHBondContact O-N 3.15Å; N374-S377 WeakPolarHBondContact O-CB 3.39Å; N374-S377 PolarHBondContact O-N 3.41Å; N374-I378 WeakPolarHBondContact O-CG1 3.35Å; N374-I378 PolarHBondContact O-N 2.98Å
375	A	92.1	Very high	86.8	Confident	33 Å²	33	85.2 Å²	85.2	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-62.2	-44.2	178.1	0	0	0	0	0	111.8	L335 E371 L372 S377 I378 Y379	L335-A375 HydrophobicContact CD2-CB 3.47Å; L335-A375 VanDerWaalsContact CD2-CB 3.47Å; E371-A375 WeakPolarHBondContact O-CB 3.48Å; E371-A375 PolarHBondContact O-N 2.96Å; L372-A375 PolarHBondContact O-N 2.94Å; A375-S377 PolarHBondContact O-N 3.08Å; A375-I378 PolarHBondContact O-N 2.94Å; A375-Y379 PolarHBondContact O-N 3.24Å
376	L	91.6	Very high	86.5	Confident	69 Å²	69	82.2 Å²	82.2	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-61.3	-42	173.6	-70.4	172.6	0	0	0	112.1	L335 L339 L372 I378 Y379 Y380	L335-L376 HydrophobicContact CD1-CD2 4.1Å; L339-L376 HydrophobicContact CD1-CD2 4.22Å; L339-L376 HydrophobicContact CD2-CD2 3.77Å; L372-L376 HydrophobicContact CD1-CD1 3.97Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CG-CD1 3.98Å; L372-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 WeakPolarHBondContact O-CB 3.33Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.3Å; L372-L376 PolarHBondContact O-N 2.83Å; L376-I378 VanDerWaalsContact C-N 3.35Å; L376-I378 PolarHBondContact O-N 2.95Å; L376-Y379 PolarHBondContact O-N 3.44Å; L376-Y380 WeakPolarHBondContact O-CB 3.43Å; L376-Y380 PolarHBondContact O-N 3.35Å
377	S	91.7	Very high	86.1	Confident	58 Å²	58	83 Å²	83	41%	0.406	47%	0.469	S	S	.	.	H	α-helix	trans	-62.8	-41	177.1	-176.3	0	0	0	0	112	C373 N374 A375 Q381	C373-S377 WeakPolarHBondContact O-CB 2.86Å; C373-S377 PolarHBondContact O-N 3.19Å; N374-S377 WeakPolarHBondContact O-CB 3.39Å; N374-S377 PolarHBondContact O-N 3.41Å; A375-S377 PolarHBondContact O-N 3.08Å; S377-Q381 WeakPolarHBondContact O-CB 3.49Å; S377-Q381 VanDerWaalsContact O-CG 3.24Å; S377-Q381 WeakPolarHBondContact O-CG 3.24Å; S377-Q381 PolarHBondContact O-N 3.04Å; S377-Q381 VanDerWaalsContact O-N 3.11Å
378	I	89.1	Confident	85.6	Confident	91 Å²	91	87.4 Å²	87.4	47%	0.467	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-47.9	177.3	-68.8	165.3	0	0	0	110.1	N374 A375 L376 Y380 Q381 Q382	N374-I378 WeakPolarHBondContact O-CG1 3.35Å; N374-I378 PolarHBondContact O-N 2.98Å; A375-I378 PolarHBondContact O-N 2.94Å; L376-I378 VanDerWaalsContact C-N 3.35Å; L376-I378 PolarHBondContact O-N 2.95Å; I378-Y380 PolarHBondContact O-N 3.11Å; I378-Q381 PolarHBondContact O-N 3.27Å; I378-Q382 WeakPolarHBondContact O-CG 3.49Å; I378-Q382 PolarHBondContact O-N 3.49Å; I378-Q382 VanDerWaalsContact O-N 3.08Å
379	Y	85.5	Confident	85	Confident	86 Å²	86	89.4 Å²	89.4	34%	0.337	50%	0.502	S	S	.	.	H	α-helix	trans	-58.9	-46.2	179.1	-175.4	-92	0	0	0	111.8	L339 I343 A375 L376 Q381 Q382 G383	L339-Y379 HydrophobicContact CB-CD1 4.36Å; L339-Y379 HydrophobicContact CB-CD2 4.32Å; L339-Y379 HydrophobicContact CB-CE1 3.9Å; L339-Y379 HydrophobicContact CB-CE2 3.84Å; L339-Y379 HydrophobicContact CD1-CD1 3.86Å; L339-Y379 HydrophobicContact CD1-CD2 3.71Å; L339-Y379 HydrophobicContact CD1-CE1 4.26Å; L339-Y379 HydrophobicContact CD1-CE2 4.12Å; L339-Y379 HydrophobicContact CD1-CG 3.57Å; L339-Y379 HydrophobicContact CD2-CD1 4.49Å; L339-Y379 HydrophobicContact CG-CD1 4.46Å; L339-Y379 HydrophobicContact CG-CE1 4.45Å; I343-Y379 HydrophobicContact CD1-CE1 4.07Å; A375-Y379 PolarHBondContact O-N 3.24Å; L376-Y379 PolarHBondContact O-N 3.44Å; Y379-Q381 VanDerWaalsContact C-N 3.34Å; Y379-Q381 PolarHBondContact O-N 3.49Å; Y379-Q382 PolarHBondContact O-N 3.08Å; Y379-G383 PolarHBondContact O-N 3.18Å
380	Y	84.5	Confident	84.4	Confident	167 Å²	167	90.7 Å²	90.7	66%	0.655	51%	0.508	S	S	*	.	H	α-helix	trans	-63	-38.4	178.3	-172.7	-94.5	0	0	0	112.7	L376 I378 Q382 G383 C384	L376-Y380 WeakPolarHBondContact O-CB 3.43Å; L376-Y380 PolarHBondContact O-N 3.35Å; I378-Y380 PolarHBondContact O-N 3.11Å; Y380-Q382 VanDerWaalsContact C-N 3.32Å; Y380-Q382 PolarHBondContact O-N 3.24Å; Y380-G383 PolarHBondContact O-N 3.02Å; Y380-C384 PolarHBondContact O-N 3.41Å; Y380-C384 PolarHBondContact O-SG 3.44Å; Y380-C384 VanDerWaalsContact O-SG 3.4Å
381	Q	87.9	Confident	83.7	Confident	129 Å²	129	90.1 Å²	90.1	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-36	175.3	-75.7	173.2	5.2	0	0	112.4	S377 I378 Y379	S377-Q381 WeakPolarHBondContact O-CB 3.49Å; S377-Q381 VanDerWaalsContact O-CG 3.24Å; S377-Q381 WeakPolarHBondContact O-CG 3.24Å; S377-Q381 PolarHBondContact O-N 3.04Å; S377-Q381 VanDerWaalsContact O-N 3.11Å; I378-Q381 PolarHBondContact O-N 3.27Å; Y379-Q381 VanDerWaalsContact C-N 3.34Å; Y379-Q381 PolarHBondContact O-N 3.49Å
382	Q	82.7	Confident	82.9	Confident	127 Å²	127	89.7 Å²	89.7	59%	0.593	51%	0.51	S	S	*	.	H	α-helix	trans	-73.3	-33.8	177.5	-70	175.7	-2.7	0	0	113	I378 Y379 Y380 C384 S385	I378-Q382 WeakPolarHBondContact O-CG 3.49Å; I378-Q382 PolarHBondContact O-N 3.49Å; I378-Q382 VanDerWaalsContact O-N 3.08Å; Y379-Q382 PolarHBondContact O-N 3.08Å; Y380-Q382 VanDerWaalsContact C-N 3.32Å; Y380-Q382 PolarHBondContact O-N 3.24Å; Q382-C384 VanDerWaalsContact C-N 3.35Å; Q382-S385 PolarHBondContact O-OG 3.4Å
383	G	70.1	Confident	82	Confident	66 Å²	66	94.8 Å²	94.8	68%	0.68	54%	0.54	S	S	*	.	H	α-helix	trans	-75.9	-18.4	176.8	0	0	0	0	0	114.7	Y379 Y380	Y379-G383 PolarHBondContact O-N 3.18Å; Y380-G383 PolarHBondContact O-N 3.02Å
384	C	55	Low	80.9	Confident	91 Å²	91	97.1 Å²	97.1	62%	0.615	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.4	177.8	-71.2	0	0	0	0	114.4	Y380 Q382	Y380-C384 PolarHBondContact O-N 3.41Å; Y380-C384 PolarHBondContact O-SG 3.44Å; Y380-C384 VanDerWaalsContact O-SG 3.4Å; Q382-C384 VanDerWaalsContact C-N 3.35Å
385	S	47	Very low	79.7	Confident	150 Å²	150	97 Å²	97	100%	1.049	55%	0.549	S	S	*	.			trans	-95.9	0	174.6	61.3	0	0	0	0	111.2	Q382	Q382-S385 PolarHBondContact O-OG 3.4Å

Retrieved 385 of 385 residues in 713.7 ms (Link to these results)

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