A0A077Z066_TRITR Loading...

Cupin 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z066, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 526 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	32.7	Very low	34.1	Very low	239 Å²	239	145.1 Å²	145.1	100%	1.177	81%	0.81	S	S	*	*				0	124.5	0	-78.1	-172	165.3	0	0	107.8
2	L	35.8	Very low	33.8	Very low	163 Å²	163	142 Å²	142	85%	0.853	81%	0.805	S	S	*	*			trans	59.8	75.8	176.2	-68.1	153	0	0	0	115.8	L4	L2-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact O-N 3.17Å
3	S	31.9	Very low	34.1	Very low	122 Å²	122	141.9 Å²	141.9	85%	0.853	79%	0.791	S	S	*	*			trans	-73.2	91	160.8	48.7	0	0	0	0	109.6
4	L	31.1	Very low	34.1	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	79%	0.785	S	S	*	*			trans	-69.5	128.3	163.8	-99.2	94.9	0	0	0	108.7	L2 L6	L2-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact O-N 3.17Å; L4-L6 PolarHBondContact O-N 3.07Å
5	P	38.2	Very low	34.6	Very low	95 Å²	95	133.7 Å²	133.7	62%	0.617	78%	0.776	S	S	*	*			trans	-75.2	121.6	-176.6	30.3	-31.1	0	0	0	109.5	T7	P5-T7 PolarHBondContact O-N 2.94Å
6	L	36.7	Very low	35.7	Very low	165 Å²	165	129.6 Å²	129.6	86%	0.864	76%	0.762	S	S	*	*	S	Bend	trans	-70.3	39.1	178.3	-154.4	84.3	0	0	0	112.6	L4	L4-L6 PolarHBondContact O-N 3.07Å
7	T	34.5	Very low	38.2	Very low	115 Å²	115	129.8 Å²	129.8	71%	0.706	75%	0.754	S	S	*	*			trans	-115.7	12.5	-173.5	43.9	0	0	0	0	114.6	P5	P5-T7 PolarHBondContact O-N 2.94Å
8	L	32.8	Very low	41	Very low	148 Å²	148	123.3 Å²	123.3	78%	0.775	72%	0.716	S	S	*	*	S	Bend	trans	-111.1	12.9	177.6	-92.1	152.8	0	0	0	115.5
9	L	32.5	Very low	43.7	Very low	151 Å²	151	123.4 Å²	123.4	79%	0.791	71%	0.713	S	S	*	*	S	Bend	trans	-107	12.1	176.9	-87	162.1	0	0	0	115.2
10	L	35.2	Very low	46.2	Very low	143 Å²	143	122.5 Å²	122.5	75%	0.749	71%	0.705	S	S	*	*	S	Bend	trans	-116.7	10.7	-179.5	-76.6	169.9	0	0	0	115.8	F13	L10-F13 HydrophobicContact CD2-CE2 3.99Å
11	S	33.4	Very low	48.6	Very low	106 Å²	106	117.9 Å²	117.9	74%	0.741	68%	0.679	S	S	*	*	S	Bend	trans	-111.5	23.6	-179.9	65.4	0	0	0	0	115.1
12	S	30.8	Very low	51.6	Low	108 Å²	108	110.1 Å²	110.1	76%	0.755	65%	0.645	S	S	*	*			trans	-113.7	29.8	166.5	64.8	0	0	0	0	112.8	G14	S12-G14 VanDerWaalsContact C-N 3.32Å; S12-G14 PolarHBondContact O-N 2.81Å
13	F	37.4	Very low	54.3	Low	141 Å²	141	104.3 Å²	104.3	62%	0.618	61%	0.612	S	S	*	*			trans	-91.4	77.2	155.8	-65.7	-69	0	0	0	107.7	L10 S15	L10-F13 HydrophobicContact CD2-CE2 3.99Å; F13-S15 PolarHBondContact O-N 2.93Å
14	G	34.2	Very low	57.2	Low	69 Å²	69	105.7 Å²	105.7	71%	0.711	60%	0.602	S	S	*	*			trans	-52.6	109.2	165.9	0	0	0	0	0	107.8	S12 A16	S12-G14 VanDerWaalsContact C-N 3.32Å; S12-G14 PolarHBondContact O-N 2.81Å; G14-A16 PolarHBondContact O-N 3.48Å; G14-A16 VanDerWaalsContact O-N 3.08Å
15	S	42.6	Very low	60.3	Low	92 Å²	92	104 Å²	104	64%	0.643	59%	0.591	S	S	*	*			trans	-65.1	109	171.8	48.8	0	0	0	0	106	F13 E17	F13-S15 PolarHBondContact O-N 2.93Å; S15-E17 PolarHBondContact O-N 3.39Å
16	A	51.9	Low	63	Low	67 Å²	67	99.6 Å²	99.6	55%	0.554	56%	0.562	S	S	*	*			trans	-63.5	89.2	162	0	0	0	0	0	106	G14 L18	G14-A16 PolarHBondContact O-N 3.48Å; G14-A16 VanDerWaalsContact O-N 3.08Å; A16-L18 PolarHBondContact O-N 2.89Å
17	E	77.6	Confident	65.7	Low	134 Å²	134	93.6 Å²	93.6	63%	0.626	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-64.5	133.1	170.8	-74.8	-167.7	158.3	0	0	107.9	S15 N19	S15-E17 PolarHBondContact O-N 3.39Å; E17-N19 PolarHBondContact O-N 3.35Å
18	L	89.6	Confident	68.5	Low	13 Å²	13	91.8 Å²	91.8	7%	0.068	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-56.9	128.3	173.1	-69.5	170.7	0	0	0	110.4	A16 L20 V38 L51 N52 A55 F66 R68	A16-L18 PolarHBondContact O-N 2.89Å; L18-L20 PolarHBondContact O-N 2.81Å; L18-V38 HydrophobicContact CD1-CG2 4.13Å; L18-L51 HydrophobicContact CD1-CB 3.63Å; L18-N52 VanDerWaalsContact CG-OD1 3.23Å; L18-N52 WeakPolarHBondContact CG-OD1 3.49Å; L18-N52 PolarHBondContact N-OD1 3.32Å; L18-A55 HydrophobicContact CD2-CB 3.63Å; L18-F66 HydrophobicContact CD2-CB 3.38Å; L18-R68 HydrophobicContact CB-CG 3.86Å; L18-R68 WeakPolarHBondContact O-CD 3.41Å
19	N	91.6	Very high	71.4	Confident	125 Å²	125	85 Å²	85	67%	0.668	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-65.7	132.6	176.7	-66.8	-48.2	0	0	0	110.5	E17 V21 R68	E17-N19 PolarHBondContact O-N 3.35Å; N19-V21 HydrophobicContact CB-CG1 4.37Å; N19-V21 PolarHBondContact O-N 3.42Å; N19-R68 PolarHBondContact O-N 3.22Å
20	L	94.6	Very high	74.2	Confident	104 Å²	104	77.9 Å²	77.9	55%	0.545	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-73.6	116.6	163.3	-177	65.9	0	0	0	108.1	L18 E40 R68 P70	L18-L20 PolarHBondContact O-N 2.81Å; L20-E40 HydrophobicContact CD1-CB 4.26Å; L20-R68 WeakPolarHBondContact CA-O 3.34Å; L20-R68 HydrophobicContact CB-CB 4.4Å; L20-R68 HydrophobicContact CD1-CB 3.97Å; L20-P70 HydrophobicContact CD1-CG 4.32Å
21	V	95.4	Very high	76.7	Confident	26 Å²	26	78.6 Å²	78.6	16%	0.158	44%	0.438	C	S	.	.			trans	-105.5	151.4	-176.8	-59.8	0	0	0	0	111.6	N19 Q25 L26 C67 R68 F69	N19-V21 HydrophobicContact CB-CG1 4.37Å; N19-V21 PolarHBondContact O-N 3.42Å; V21-Q25 HydrophobicContact CB-CB 4.16Å; V21-L26 HydrophobicContact CG2-CB 4.01Å; V21-C67 HydrophobicContact CG1-CB 4.02Å; V21-C67 HydrophobicContact CG2-CB 4.04Å; V21-R68 PolarHBondContact N-O 3.24Å; V21-F69 HydrophobicContact CG2-CD2 4.09Å; V21-F69 VanDerWaalsContact O-CD2 3.3Å; V21-F69 WeakPolarHBondContact O-CD2 3.3Å
22	T	95.2	Very high	79.4	Confident	76 Å²	76	78.8 Å²	78.8	47%	0.466	43%	0.43	S	S	.	.			trans	-77.8	160.6	169.4	61.2	0	0	0	0	111.2	K24 Q25 L26	T22-K24 PolarHBondContact O-N 2.97Å; T22-Q25 PolarHBondContact O-N 2.61Å; T22-Q25 VanDerWaalsContact O-N 3.13Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.32Å; T22-Q25 PolarHBondContact OG1-N 2.68Å; T22-Q25 PolarHBondContact OG1-OE1 2.78Å; T22-L26 PolarHBondContact O-N 3.25Å
23	W	93.9	Very high	82.4	Confident	42 Å²	42	73.6 Å²	73.6	16%	0.159	39%	0.394	C	S	.	.	H	α-helix	trans	-55.8	-42.1	176.9	170.9	-119.7	0	0	0	112	Q25 L26 N27 F69 H79 V80 M97 P116	W23-Q25 PolarHBondContact O-N 2.93Å; W23-L26 HydrophobicContact CE3-CD2 4.33Å; W23-L26 HydrophobicContact CZ3-CD2 4.35Å; W23-L26 PolarHBondContact O-N 2.88Å; W23-N27 HydrophobicContact CD2-CB 4.27Å; W23-N27 HydrophobicContact CH2-CB 4.35Å; W23-N27 HydrophobicContact CZ2-CB 4.01Å; W23-N27 VanDerWaalsContact O-CB 3.23Å; W23-N27 WeakPolarHBondContact O-CB 3.3Å; W23-N27 PolarHBondContact O-N 3.46Å; W23-F69 HydrophobicContact CB-CE2 4.17Å; W23-F69 HydrophobicContact CB-CZ 4.02Å; W23-F69 HydrophobicContact CE3-CE1 4.48Å; W23-F69 HydrophobicContact CE3-CE2 4.48Å; W23-F69 AromaticContact CE3-CZ 3.88Å; W23-F69 HydrophobicContact CE3-CZ 3.88Å; W23-H79 AromaticContact CD1-CE1 3.9Å; W23-H79 AromaticContact CD1-NE2 3.92Å; W23-H79 HydrophobicContact CD2-CB 4.15Å; W23-H79 AromaticContact CE2-CG 3.84Å; W23-H79 HydrophobicContact CE3-CB 4.36Å; W23-H79 AromaticContact CG-ND1 3.94Å; W23-H79 HydrophobicContact CH2-CB 3.98Å; W23-H79 WeakPolarHBondContact CH2-O 3.29Å; W23-H79 HydrophobicContact CZ2-CB 3.73Å; W23-H79 WeakPolarHBondContact CZ2-O 3.48Å; W23-H79 HydrophobicContact CZ3-CB 4.29Å; W23-H79 AromaticContact NE1-CD2 3.77Å; W23-H79 AromaticContact NE1-CG 3.86Å; W23-V80 HydrophobicContact CE3-CG2 4.47Å; W23-V80 HydrophobicContact CH2-CG2 3.58Å; W23-V80 HydrophobicContact CZ3-CG2 3.47Å; W23-V80 VanDerWaalsContact CZ3-CG2 3.47Å; W23-M97 HydrophobicContact CH2-CE 4.45Å; W23-M97 HydrophobicContact CZ3-CE 4.23Å; W23-P116 HydrophobicContact CH2-CG 3.98Å; W23-P116 HydrophobicContact CZ2-CG 4.45Å
24	K	93	Very high	85.1	Confident	150 Å²	150	67 Å²	67	65%	0.652	37%	0.365	S	S	*	.	H	α-helix	trans	-58	-48.5	177.5	-175.7	178.5	178.5	-176.6	0	111.8	T22 N27 D28	T22-K24 PolarHBondContact O-N 2.97Å; K24-N27 PolarHBondContact O-N 3.41Å; K24-D28 VanDerWaalsContact O-CB 3.28Å; K24-D28 WeakPolarHBondContact O-CB 3.19Å; K24-D28 PolarHBondContact O-N 2.67Å
25	Q	95.9	Very high	88.1	Confident	115 Å²	115	64.2 Å²	64.2	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-42.4	178.8	-73.6	166.1	-47.9	0	0	112.2	V21 T22 W23 G29	V21-Q25 HydrophobicContact CB-CB 4.16Å; T22-Q25 PolarHBondContact O-N 2.61Å; T22-Q25 VanDerWaalsContact O-N 3.13Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.32Å; T22-Q25 PolarHBondContact OG1-N 2.68Å; T22-Q25 PolarHBondContact OG1-OE1 2.78Å; W23-Q25 PolarHBondContact O-N 2.93Å; Q25-G29 PolarHBondContact O-N 2.87Å
26	L	95.3	Very high	90.6	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-54.5	176.5	180	55.3	0	0	0	110.5	V21 T22 W23 D28 G29 L30 H35 V37 F69 M74 M97	V21-L26 HydrophobicContact CG2-CB 4.01Å; T22-L26 PolarHBondContact O-N 3.25Å; W23-L26 HydrophobicContact CE3-CD2 4.33Å; W23-L26 HydrophobicContact CZ3-CD2 4.35Å; W23-L26 PolarHBondContact O-N 2.88Å; L26-D28 PolarHBondContact O-N 3.07Å; L26-G29 WeakPolarHBondContact O-CA 3.32Å; L26-G29 PolarHBondContact O-N 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 2.98Å; L26-H35 HydrophobicContact CD1-CB 3.8Å; L26-V37 HydrophobicContact CD1-CG2 4.23Å; L26-F69 HydrophobicContact CD2-CB 4.47Å; L26-F69 HydrophobicContact CD2-CD1 4.2Å; L26-F69 HydrophobicContact CD2-CD2 3.78Å; L26-F69 HydrophobicContact CD2-CE1 4.38Å; L26-F69 HydrophobicContact CD2-CE2 4.05Å; L26-F69 HydrophobicContact CD2-CG 3.88Å; L26-F69 HydrophobicContact CD2-CZ 4.33Å; L26-M74 HydrophobicContact CD2-CE 4.29Å; L26-M97 HydrophobicContact CD1-SD 4.27Å; L26-M97 HydrophobicContact CD2-SD 3.75Å; L26-M97 HydrophobicContact CG-SD 4.13Å
27	N	92.5	Very high	92.7	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.214	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-40.6	-176.9	-173.5	59.9	0	0	0	113.1	W23 K24 G29 L30 P116	W23-N27 HydrophobicContact CD2-CB 4.27Å; W23-N27 HydrophobicContact CH2-CB 4.35Å; W23-N27 HydrophobicContact CZ2-CB 4.01Å; W23-N27 VanDerWaalsContact O-CB 3.23Å; W23-N27 WeakPolarHBondContact O-CB 3.3Å; W23-N27 PolarHBondContact O-N 3.46Å; K24-N27 PolarHBondContact O-N 3.41Å; N27-G29 VanDerWaalsContact C-N 3.31Å; N27-L30 PolarHBondContact O-N 3.15Å; N27-P116 WeakPolarHBondContact OD1-CG 3.46Å
28	D	92.4	Very high	93.6	Very high	77 Å²	77	50.2 Å²	50.2	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-37.3	173.8	-70.6	-19.2	0	0	0	111.1	K24 L26 L30	K24-D28 VanDerWaalsContact O-CB 3.28Å; K24-D28 WeakPolarHBondContact O-CB 3.19Å; K24-D28 PolarHBondContact O-N 2.67Å; L26-D28 PolarHBondContact O-N 3.07Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.22Å
29	G	93.7	Very high	93.7	Very high	6 Å²	6	49.7 Å²	49.7	6%	0.062	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-35.4	176.6	0	0	0	0	0	113.6	Q25 L26 N27 R31 N32 A33 H35	Q25-G29 PolarHBondContact O-N 2.87Å; L26-G29 WeakPolarHBondContact O-CA 3.32Å; L26-G29 PolarHBondContact O-N 3.27Å; N27-G29 VanDerWaalsContact C-N 3.31Å; G29-R31 PolarHBondContact O-N 2.78Å; G29-N32 PolarHBondContact O-N 3.28Å; G29-A33 PolarHBondContact O-N 3.36Å; G29-H35 PolarHBondContact O-CE1 3.4Å
30	L	93.1	Very high	93.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.9	-176.4	-67.9	172.2	0	0	0	113.9	L26 N27 D28 N32 H35 M97 K99 L100 P116	L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 2.98Å; N27-L30 PolarHBondContact O-N 3.15Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.22Å; L30-N32 PolarHBondContact O-N 3.19Å; L30-H35 HydrophobicContact CD2-CB 4.05Å; L30-M97 HydrophobicContact CD1-CE 3.73Å; L30-M97 HydrophobicContact CD1-SD 4.44Å; L30-M97 HydrophobicContact CD2-CB 3.51Å; L30-K99 CarbonylContact O-C 3.56Å; L30-K99 VanDerWaalsContact O-CA 3.27Å; L30-K99 WeakPolarHBondContact O-CA 3.36Å; L30-K99 WeakPolarHBondContact O-CG 3.15Å; L30-L100 HydrophobicContact CB-CD1 3.85Å; L30-L100 HydrophobicContact CB-CG 3.82Å; L30-L100 HydrophobicContact CD1-CD1 4.43Å; L30-L100 PolarHBondContact O-N 2.62Å; L30-P116 HydrophobicContact CD1-CB 3.62Å; L30-P116 HydrophobicContact CD1-CG 3.81Å
31	R	86.2	Confident	93.4	Very high	159 Å²	159	46 Å²	46	60%	0.6	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.9	174.1	-62	-176.4	-168.9	-84.9	-3	113.1	G29 K99	G29-R31 PolarHBondContact O-N 2.78Å; R31-K99 WeakPolarHBondContact O-CE 3.48Å
32	N	90	Very high	93	Very high	109 Å²	109	46.3 Å²	46.3	58%	0.583	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-28.9	-170.3	-62.7	-54.4	0	0	0	113	G29 L30	G29-N32 PolarHBondContact O-N 3.28Å; L30-N32 PolarHBondContact O-N 3.19Å
33	A	93.5	Very high	92.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-150.9	153.8	-173.5	0	0	0	0	0	112.5	G29 H35 E63 R65	G29-A33 PolarHBondContact O-N 3.36Å; A33-H35 PolarHBondContact O-CE1 3.17Å; A33-H35 PolarHBondContact O-ND1 3.09Å; A33-E63 WeakPolarHBondContact CA-O 3.41Å; A33-E63 WeakPolarHBondContact CB-O 3.27Å; A33-R65 HydrophobicContact CB-CG 3.78Å
34	C	94.9	Very high	92.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.7	163	-171.1	0	0	0	0	109.3	E63 V64 R65 M97 C138	C34-E63 WeakPolarHBondContact CB-O 3.19Å; C34-E63 PolarHBondContact N-O 3.17Å; C34-V64 CarbonylContact O-C 3.45Å; C34-V64 WeakPolarHBondContact O-CA 3.41Å; C34-R65 PolarHBondContact O-N 3.06Å; C34-M97 CarbonylContact C-O 3.46Å; C34-M97 WeakPolarHBondContact CA-O 3.31Å; C34-C138 HydrophobicContact CB-CB 3.39Å; C34-C138 WeakPolarHBondContact CB-SG 3.47Å; C34-C138 VanDerWaalsContact SG-CA 3.51Å; C34-C138 WeakPolarHBondContact SG-CB 3.44Å; C34-C138 CovalentContact SG-SG 2.04Å; C34-C138 PolarHBondContact SG-SG 2.68Å
35	H	96.8	Very high	91.9	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.9	179.6	-71.8	63	0	0	0	110.8	L26 G29 L30 A33 V37 R65 M97	L26-H35 HydrophobicContact CD1-CB 3.8Å; G29-H35 PolarHBondContact O-CE1 3.4Å; L30-H35 HydrophobicContact CD2-CB 4.05Å; A33-H35 PolarHBondContact O-CE1 3.17Å; A33-H35 PolarHBondContact O-ND1 3.09Å; H35-V37 HydrophobicContact CB-CG2 4.09Å; H35-R65 CarbonylContact C-O 3.24Å; H35-R65 WeakPolarHBondContact CA-O 3.4Å; H35-M97 HydrophobicContact CB-CB 4.39Å; H35-M97 PolarHBondContact N-O 2.85Å; H35-M97 PolarHBondContact O-N 3.36Å
36	V	96.7	Very high	91.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.5	172.8	-163	0	0	0	0	107.5	L51 V64 R65 F66 C67 V94 M96 F130 I134	V36-L51 HydrophobicContact CB-CD2 4.37Å; V36-L51 HydrophobicContact CG1-CD2 3.81Å; V36-V64 HydrophobicContact CG2-CG1 3.75Å; V36-R65 PolarHBondContact N-O 2.84Å; V36-F66 HydrophobicContact CB-CD1 3.69Å; V36-F66 HydrophobicContact CB-CE1 3.83Å; V36-F66 HydrophobicContact CG1-CD1 4.24Å; V36-F66 HydrophobicContact CG1-CE1 4.19Å; V36-F66 HydrophobicContact CG2-CD1 4.17Å; V36-F66 HydrophobicContact CG2-CE1 3.88Å; V36-F66 HydrophobicContact CG2-CZ 4.4Å; V36-F66 WeakPolarHBondContact O-CA 3.33Å; V36-C67 PolarHBondContact O-N 3.16Å; V36-C67 VanDerWaalsContact O-N 3.15Å; V36-V94 HydrophobicContact CG1-CG1 3.75Å; V36-M96 HydrophobicContact CG1-CG 4.31Å; V36-M96 HydrophobicContact CG1-SD 3.98Å; V36-F130 HydrophobicContact CG1-CE2 4.39Å; V36-F130 HydrophobicContact CG1-CZ 3.81Å; V36-I134 HydrophobicContact CG1-CD1 4.1Å; V36-I134 HydrophobicContact CG1-CG1 4.25Å; V36-I134 HydrophobicContact CG2-CD1 4.17Å; V36-I134 HydrophobicContact CG2-CG1 4.1Å; V36-I134 HydrophobicContact CG2-CG2 3.94Å
37	V	95.8	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.4	-160.8	-173.3	0	0	0	0	110	L26 H35 L39 C67 F69 M74 V94 V95 M97	L26-V37 HydrophobicContact CD1-CG2 4.23Å; H35-V37 HydrophobicContact CB-CG2 4.09Å; V37-L39 HydrophobicContact CG1-CD2 4.29Å; V37-C67 WeakPolarHBondContact CA-O 3.25Å; V37-F69 HydrophobicContact CG1-CB 3.25Å; V37-F69 HydrophobicContact CG1-CG 4.32Å; V37-M74 HydrophobicContact CB-CE 4.42Å; V37-M74 HydrophobicContact CG1-CE 4.07Å; V37-V94 CarbonylContact O-C 3.52Å; V37-V94 VanDerWaalsContact O-CA 3.26Å; V37-V94 WeakPolarHBondContact O-CA 3.34Å; V37-V95 HydrophobicContact CB-CB 4.49Å; V37-V95 WeakPolarHBondContact CB-O 3.37Å; V37-V95 PolarHBondContact N-O 3.1Å; V37-V95 PolarHBondContact O-N 2.84Å; V37-M97 HydrophobicContact CG2-CG 4.45Å; V37-M97 HydrophobicContact CG2-SD 4.43Å
38	V	94.9	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.9	164.3	-178.9	0	0	0	0	108.5	L18 L51 C67 R68 F69 P93	L18-V38 HydrophobicContact CD1-CG2 4.13Å; V38-L51 HydrophobicContact CB-CD2 4.47Å; V38-L51 HydrophobicContact CG2-CB 3.74Å; V38-L51 HydrophobicContact CG2-CD1 4.21Å; V38-L51 HydrophobicContact CG2-CD2 3.31Å; V38-L51 HydrophobicContact CG2-CG 3.91Å; V38-C67 PolarHBondContact N-O 2.93Å; V38-R68 HydrophobicContact CB-CG 4.24Å; V38-R68 WeakPolarHBondContact O-CA 3.2Å; V38-F69 PolarHBondContact O-N 3.43Å; V38-P93 WeakPolarHBondContact CA-O 3.43Å
39	L	92.3	Very high	91	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.9	175.2	-57.2	-168.7	0	0	0	111.1	V37 P41 S42 F69 K71 M74 V92 P93 V95	V37-L39 HydrophobicContact CG1-CD2 4.29Å; L39-P41 CarbonylContact O-C 3.53Å; L39-P41 VanDerWaalsContact O-C 3.24Å; L39-S42 WeakPolarHBondContact O-CA 3.39Å; L39-S42 WeakPolarHBondContact O-CB 3.34Å; L39-S42 PolarHBondContact O-N 3.08Å; L39-F69 CarbonylContact C-O 3.59Å; L39-F69 WeakPolarHBondContact CA-O 3.19Å; L39-K71 HydrophobicContact CB-CB 4.08Å; L39-K71 HydrophobicContact CB-CG 4.41Å; L39-K71 HydrophobicContact CD1-CG 4.13Å; L39-M74 HydrophobicContact CD1-CG 4.38Å; L39-M74 HydrophobicContact CD2-CB 3.83Å; L39-M74 HydrophobicContact CD2-CE 4.14Å; L39-M74 HydrophobicContact CD2-CG 3.76Å; L39-V92 HydrophobicContact CD1-CB 4.44Å; L39-V92 HydrophobicContact CD1-CG1 4.2Å; L39-V92 WeakPolarHBondContact CD1-O 3.31Å; L39-P93 PolarHBondContact N-O 3.01Å; L39-V95 HydrophobicContact CD1-CG2 3.93Å; L39-V95 HydrophobicContact CD2-CB 4.4Å; L39-V95 HydrophobicContact CD2-CG2 3.92Å; L39-V95 HydrophobicContact CG-CG2 4.08Å
40	E	90.7	Very high	90.9	Very high	57 Å²	57	42 Å²	42	27%	0.266	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.7	179.9	-166.8	67.3	-159.8	0	0	111.3	L20 R68 F69 K71	L20-E40 HydrophobicContact CD1-CB 4.26Å; E40-R68 IonicContact OE1-CZ 3.99Å; E40-R68 IonicContact OE1-NH2 2.87Å; E40-R68 PolarHBondContact OE1-NH2 3.46Å; E40-R68 IonicContact OE2-CZ 3.27Å; E40-R68 VanDerWaalsContact OE2-CZ 3.27Å; E40-R68 IonicContact OE2-NE 2.97Å; E40-R68 PolarHBondContact OE2-NE 3.48Å; E40-R68 IonicContact OE2-NH2 2.75Å; E40-R68 PolarHBondContact OE2-NH2 3.25Å; E40-F69 PolarHBondContact N-O 3.01Å; E40-K71 WeakPolarHBondContact O-CB 3.48Å; E40-K71 PolarHBondContact O-N 2.83Å
41	P	89	Confident	91	Very high	96 Å²	96	42 Å²	42	62%	0.623	24%	0.235	S	C	*	.	S	Bend	cis	-68.1	139.4	-7.9	29.7	-34.6	0	0	0	111.3	L39	L39-P41 CarbonylContact O-C 3.53Å; L39-P41 VanDerWaalsContact O-C 3.24Å
42	S	87.4	Confident	91.3	Very high	31 Å²	31	36.3 Å²	36.3	22%	0.217	22%	0.216	C	C	.	.			trans	-69.8	135.8	177.7	-174.6	0	0	0	0	110.3	L39 D44	L39-S42 WeakPolarHBondContact O-CA 3.39Å; L39-S42 WeakPolarHBondContact O-CB 3.34Å; L39-S42 PolarHBondContact O-N 3.08Å; S42-D44 VanDerWaalsContact C-N 3.26Å; S42-D44 PolarHBondContact OG-N 2.97Å; S42-D44 VanDerWaalsContact OG-N 3.13Å; S42-D44 PolarHBondContact OG-O 2.76Å
43	C	86.9	Confident	91.5	Very high	58 Å²	58	35.8 Å²	35.8	39%	0.392	21%	0.214	S	C	.	.	S	Bend	trans	-82.1	-7.5	171.2	61.7	0	0	0	0	112.9	C91 V92	C43-C91 VanDerWaalsContact C-SG 3.56Å; C43-C91 HydrophobicContact CB-CB 3.69Å; C43-C91 WeakPolarHBondContact CB-SG 3.29Å; C43-C91 WeakPolarHBondContact SG-CA 3.44Å; C43-C91 WeakPolarHBondContact SG-CB 3.46Å; C43-C91 CovalentContact SG-SG 2.04Å; C43-C91 PolarHBondContact SG-SG 3.07Å; C43-V92 PolarHBondContact SG-N 2.97Å
44	D	88.2	Confident	91.6	Very high	47 Å²	47	36 Å²	36	25%	0.251	22%	0.215	S	C	.	.			trans	-135.8	111.5	175.2	-179.9	4.6	0	0	0	109.4	S42 A46 A47 P93 V124	S42-D44 VanDerWaalsContact C-N 3.26Å; S42-D44 PolarHBondContact OG-N 2.97Å; S42-D44 VanDerWaalsContact OG-N 3.13Å; S42-D44 PolarHBondContact OG-O 2.76Å; D44-A46 PolarHBondContact O-N 2.81Å; D44-A46 WeakPolarHBondContact OD1-CB 3.37Å; D44-A46 PolarHBondContact OD1-N 3.37Å; D44-A47 HydrophobicContact CB-CB 4.31Å; D44-A47 WeakPolarHBondContact O-CB 3.36Å; D44-A47 PolarHBondContact O-N 3.23Å; D44-P93 HydrophobicContact CB-CB 3.82Å; D44-P93 HydrophobicContact CB-CG 4.31Å; D44-V124 WeakPolarHBondContact OD2-CG2 3.47Å
45	S	82.9	Confident	91.7	Very high	104 Å²	104	36.9 Å²	36.9	73%	0.727	22%	0.222	S	C	*	.	H	α-helix	trans	-66.6	-24.8	178.7	57.3	0	0	0	0	112.6	A47 T48 M49	S45-A47 VanDerWaalsContact C-N 3.27Å; S45-A47 PolarHBondContact O-N 2.69Å; S45-T48 PolarHBondContact O-N 3.15Å; S45-M49 PolarHBondContact O-N 2.88Å
46	A	87	Confident	91.6	Very high	37 Å²	37	41.9 Å²	41.9	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-34.5	175.7	0	0	0	0	0	111.1	D44 T48 M49 V50	D44-A46 PolarHBondContact O-N 2.81Å; D44-A46 WeakPolarHBondContact OD1-CB 3.37Å; D44-A46 PolarHBondContact OD1-N 3.37Å; A46-T48 PolarHBondContact O-N 2.8Å; A46-M49 PolarHBondContact O-N 3.08Å; A46-V50 WeakPolarHBondContact O-CB 3.09Å; A46-V50 VanDerWaalsContact O-CG2 3.29Å; A46-V50 WeakPolarHBondContact O-CG2 3.4Å; A46-V50 PolarHBondContact O-N 3.29Å
47	A	90.2	Very high	91.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-44.4	178.7	0	0	0	0	0	113	D44 S45 M49 V50 L51 P93 V94 V124	D44-A47 HydrophobicContact CB-CB 4.31Å; D44-A47 WeakPolarHBondContact O-CB 3.36Å; D44-A47 PolarHBondContact O-N 3.23Å; S45-A47 VanDerWaalsContact C-N 3.27Å; S45-A47 PolarHBondContact O-N 2.69Å; A47-M49 VanDerWaalsContact C-N 3.31Å; A47-M49 PolarHBondContact O-N 2.89Å; A47-V50 PolarHBondContact O-N 2.94Å; A47-L51 VanDerWaalsContact O-CD1 3.24Å; A47-L51 WeakPolarHBondContact O-CD1 3.46Å; A47-L51 PolarHBondContact O-N 3.36Å; A47-P93 HydrophobicContact CB-CB 3.59Å; A47-P93 HydrophobicContact CB-CG 4.36Å; A47-V94 HydrophobicContact CB-CG2 3.96Å; A47-V124 HydrophobicContact CB-CG1 4.15Å; A47-V124 HydrophobicContact CB-CG2 3.93Å
48	T	89.8	Confident	91.5	Very high	31 Å²	31	43.5 Å²	43.5	19%	0.19	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-44	176	-52.7	0	0	0	0	111.1	S45 A46 N52	S45-T48 PolarHBondContact O-N 3.15Å; A46-T48 PolarHBondContact O-N 2.8Å; T48-N52 WeakPolarHBondContact O-CB 3.32Å; T48-N52 VanDerWaalsContact O-CG 3.22Å; T48-N52 PolarHBondContact O-N 2.82Å; T48-N52 PolarHBondContact O-ND2 3.16Å
49	M	90.4	Very high	91.5	Very high	115 Å²	115	50.3 Å²	50.3	57%	0.567	29%	0.291	S	S	*	.	H	α-helix	trans	-65.4	-44.3	178.1	-175.4	178.4	65.3	0	0	112.1	S45 A46 A47 N52 N53	S45-M49 PolarHBondContact O-N 2.88Å; A46-M49 PolarHBondContact O-N 3.08Å; A47-M49 VanDerWaalsContact C-N 3.31Å; A47-M49 PolarHBondContact O-N 2.89Å; M49-N52 PolarHBondContact O-N 3.32Å; M49-N53 PolarHBondContact O-N 2.93Å; M49-N53 PolarHBondContact O-ND2 3.32Å
50	V	92.6	Very high	91.6	Very high	25 Å²	25	56.1 Å²	56.1	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-47.6	177.6	168.5	0	0	0	0	110.7	A46 A47 N53 L54 I127 F130	A46-V50 WeakPolarHBondContact O-CB 3.09Å; A46-V50 VanDerWaalsContact O-CG2 3.29Å; A46-V50 WeakPolarHBondContact O-CG2 3.4Å; A46-V50 PolarHBondContact O-N 3.29Å; A47-V50 PolarHBondContact O-N 2.94Å; V50-N53 PolarHBondContact O-N 3.12Å; V50-L54 HydrophobicContact CG1-CD1 4.11Å; V50-L54 WeakPolarHBondContact O-CG 3.48Å; V50-L54 PolarHBondContact O-N 2.91Å; V50-I127 HydrophobicContact CG1-CD1 3.45Å; V50-I127 VanDerWaalsContact CG1-CD1 3.45Å; V50-F130 HydrophobicContact CG1-CD1 4.19Å; V50-F130 HydrophobicContact CG1-CE1 4.18Å
51	L	94.3	Very high	91.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.7	-34.7	-178.6	-85.7	74.1	0	0	0	112.4	L18 V36 V38 A47 N53 L54 A55 F66 V94 F130	L18-L51 HydrophobicContact CD1-CB 3.63Å; V36-L51 HydrophobicContact CB-CD2 4.37Å; V36-L51 HydrophobicContact CG1-CD2 3.81Å; V38-L51 HydrophobicContact CB-CD2 4.47Å; V38-L51 HydrophobicContact CG2-CB 3.74Å; V38-L51 HydrophobicContact CG2-CD1 4.21Å; V38-L51 HydrophobicContact CG2-CD2 3.31Å; V38-L51 HydrophobicContact CG2-CG 3.91Å; A47-L51 VanDerWaalsContact O-CD1 3.24Å; A47-L51 WeakPolarHBondContact O-CD1 3.46Å; A47-L51 PolarHBondContact O-N 3.36Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 3.49Å; L51-L54 PolarHBondContact O-N 3.44Å; L51-A55 WeakPolarHBondContact O-CB 3.12Å; L51-A55 PolarHBondContact O-N 3.03Å; L51-F66 HydrophobicContact CB-CD1 4.36Å; L51-F66 HydrophobicContact CD2-CD1 4.16Å; L51-F66 HydrophobicContact CG-CD1 4.06Å; L51-V94 HydrophobicContact CD1-CG1 4.45Å; L51-V94 HydrophobicContact CD1-CG2 3.72Å; L51-V94 HydrophobicContact CD2-CG1 3.98Å; L51-V94 HydrophobicContact CD2-CG2 4.27Å; L51-F130 HydrophobicContact CD1-CE1 3.64Å; L51-F130 HydrophobicContact CD1-CZ 3.82Å; L51-F130 HydrophobicContact CG-CE1 4.44Å
52	N	93.1	Very high	92	Very high	39 Å²	39	57.3 Å²	57.3	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-44.5	170.8	-79	-26	0	0	0	111.1	L18 T48 M49 K56	L18-N52 VanDerWaalsContact CG-OD1 3.23Å; L18-N52 WeakPolarHBondContact CG-OD1 3.49Å; L18-N52 PolarHBondContact N-OD1 3.32Å; T48-N52 WeakPolarHBondContact O-CB 3.32Å; T48-N52 VanDerWaalsContact O-CG 3.22Å; T48-N52 PolarHBondContact O-N 2.82Å; T48-N52 PolarHBondContact O-ND2 3.16Å; M49-N52 PolarHBondContact O-N 3.32Å; N52-K56 PolarHBondContact O-N 3.03Å; N52-K56 VanDerWaalsContact O-N 3.08Å
53	N	94	Very high	92.2	Very high	99 Å²	99	60.4 Å²	60.4	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-66.3	-44.3	178.7	-73.2	-26.3	0	0	0	111.9	M49 V50 L51 K56 S57	M49-N53 PolarHBondContact O-N 2.93Å; M49-N53 PolarHBondContact O-ND2 3.32Å; V50-N53 PolarHBondContact O-N 3.12Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 3.49Å; N53-K56 PolarHBondContact O-N 3.12Å; N53-S57 PolarHBondContact O-N 3.23Å; N53-S57 PolarHBondContact O-OG 2.91Å
54	L	96	Very high	92.7	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-49	175.7	-74.4	175.3	0	0	0	111.1	V50 L51 K56 S57 W58 F66 I127 F130 V131 I134 K144	V50-L54 HydrophobicContact CG1-CD1 4.11Å; V50-L54 WeakPolarHBondContact O-CG 3.48Å; V50-L54 PolarHBondContact O-N 2.91Å; L51-L54 PolarHBondContact O-N 3.44Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.05Å; L54-S57 WeakPolarHBondContact CA-OG 3.46Å; L54-S57 CarbonylContact O-C 3.53Å; L54-S57 PolarHBondContact O-N 2.94Å; L54-S57 PolarHBondContact O-OG 3.37Å; L54-W58 VanDerWaalsContact O-CB 3.28Å; L54-W58 WeakPolarHBondContact O-CB 3.34Å; L54-W58 PolarHBondContact O-N 2.89Å; L54-F66 HydrophobicContact CB-CD1 4.45Å; L54-F66 HydrophobicContact CB-CE1 3.77Å; L54-F66 HydrophobicContact CB-CE2 4.49Å; L54-F66 HydrophobicContact CB-CZ 3.8Å; L54-F66 HydrophobicContact CD1-CE1 4.14Å; L54-I127 HydrophobicContact CD1-CD1 4.06Å; L54-I127 HydrophobicContact CD2-CD1 4.35Å; L54-I127 HydrophobicContact CG-CD1 4.35Å; L54-F130 HydrophobicContact CD1-CD1 4.13Å; L54-F130 HydrophobicContact CD1-CE1 3.78Å; L54-V131 HydrophobicContact CD1-CG2 4.35Å; L54-V131 HydrophobicContact CD2-CG2 3.9Å; L54-I134 HydrophobicContact CD1-CD1 4.16Å; L54-K144 HydrophobicContact CD2-CB 4.32Å
55	A	95.8	Very high	93.1	Very high	20 Å²	20	61.2 Å²	61.2	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-55.3	-42.3	178.5	0	0	0	0	0	112.6	L18 L51 W58 D59 F66	L18-A55 HydrophobicContact CD2-CB 3.63Å; L51-A55 WeakPolarHBondContact O-CB 3.12Å; L51-A55 PolarHBondContact O-N 3.03Å; A55-W58 PolarHBondContact O-N 3.46Å; A55-D59 PolarHBondContact O-N 3.49Å; A55-D59 VanDerWaalsContact O-N 3.14Å; A55-F66 HydrophobicContact CB-CB 3.74Å; A55-F66 HydrophobicContact CB-CD2 3.83Å; A55-F66 HydrophobicContact CB-CG 3.87Å
56	K	94.9	Very high	93.7	Very high	115 Å²	115	57.5 Å²	57.5	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-43.7	174.2	-175.8	178.2	179.1	180	0	112.3	N52 N53 L54 W58	N52-K56 PolarHBondContact O-N 3.03Å; N52-K56 VanDerWaalsContact O-N 3.08Å; N53-K56 PolarHBondContact O-N 3.12Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.05Å; K56-W58 VanDerWaalsContact C-N 3.29Å; K56-W58 PolarHBondContact O-N 2.95Å
57	S	95.5	Very high	94.2	Very high	30 Å²	30	56 Å²	56	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-73.5	-21.4	-179.3	67.6	0	0	0	0	113.8	N53 L54 H60 K144	N53-S57 PolarHBondContact O-N 3.23Å; N53-S57 PolarHBondContact O-OG 2.91Å; L54-S57 WeakPolarHBondContact CA-OG 3.46Å; L54-S57 CarbonylContact O-C 3.53Å; L54-S57 PolarHBondContact O-N 2.94Å; L54-S57 PolarHBondContact O-OG 3.37Å; S57-H60 PolarHBondContact O-CE1 3.42Å; S57-H60 VanDerWaalsContact O-CE1 3.27Å; S57-K144 PolarHBondContact OG-O 2.96Å; S57-K144 VanDerWaalsContact OG-O 3.11Å
58	W	96.7	Very high	94.4	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.015	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	14.8	-175.1	-72.1	25.3	0	0	0	112.2	L54 A55 K56 H60 I61 V64 F66 V131 I134 Y142 N143	L54-W58 VanDerWaalsContact O-CB 3.28Å; L54-W58 WeakPolarHBondContact O-CB 3.34Å; L54-W58 PolarHBondContact O-N 2.89Å; A55-W58 PolarHBondContact O-N 3.46Å; K56-W58 VanDerWaalsContact C-N 3.29Å; K56-W58 PolarHBondContact O-N 2.95Å; W58-H60 PolarHBondContact O-N 3.12Å; W58-H60 VanDerWaalsContact O-N 3.1Å; W58-I61 HydrophobicContact CB-CB 4.42Å; W58-I61 HydrophobicContact CB-CD1 3.78Å; W58-I61 HydrophobicContact CB-CG1 4.45Å; W58-I61 HydrophobicContact CD2-CD1 3.7Å; W58-I61 HydrophobicContact CE3-CD1 4.03Å; W58-I61 HydrophobicContact CG-CD1 3.59Å; W58-I61 WeakPolarHBondContact O-CB 3.46Å; W58-I61 PolarHBondContact O-N 3.12Å; W58-V64 HydrophobicContact CE3-CB 4.04Å; W58-V64 HydrophobicContact CE3-CG1 4Å; W58-V64 HydrophobicContact CE3-CG2 4.33Å; W58-V64 HydrophobicContact CZ3-CB 4.17Å; W58-V64 HydrophobicContact CZ3-CG1 3.98Å; W58-V64 HydrophobicContact CZ3-CG2 4.04Å; W58-F66 HydrophobicContact CB-CE2 3.89Å; W58-F66 HydrophobicContact CD2-CE2 4.22Å; W58-F66 HydrophobicContact CD2-CZ 4.07Å; W58-F66 AromaticContact CE3-CE2 3.88Å; W58-F66 HydrophobicContact CE3-CE2 3.88Å; W58-F66 AromaticContact CE3-CZ 3.69Å; W58-F66 HydrophobicContact CE3-CZ 3.69Å; W58-F66 HydrophobicContact CG-CE2 4.27Å; W58-F66 HydrophobicContact CG-CZ 4.45Å; W58-F66 HydrophobicContact CZ3-CZ 4.27Å; W58-V131 HydrophobicContact CH2-CG1 4.26Å; W58-V131 HydrophobicContact CZ2-CG1 3.88Å; W58-V131 HydrophobicContact CZ2-CG2 4.47Å; W58-I134 HydrophobicContact CH2-CB 4.48Å; W58-I134 HydrophobicContact CH2-CG2 3.94Å; W58-I134 HydrophobicContact CZ3-CG2 3.67Å; W58-Y142 HydrophobicContact CZ3-CD2 4.48Å; W58-N143 PolarHBondContact NE1-O 2.95Å
59	D	94.1	Very high	94.7	Very high	144 Å²	144	57.3 Å²	57.3	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.3	-177.2	-175.1	59.7	0	0	0	113.3	A55	A55-D59 PolarHBondContact O-N 3.49Å; A55-D59 VanDerWaalsContact O-N 3.14Å
60	H	94.4	Very high	94.8	Very high	122 Å²	122	53.4 Å²	53.4	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.1	175.7	61.6	-75.6	0	0	0	114.6	S57 W58 G146	S57-H60 PolarHBondContact O-CE1 3.42Å; S57-H60 VanDerWaalsContact O-CE1 3.27Å; W58-H60 PolarHBondContact O-N 3.12Å; W58-H60 VanDerWaalsContact O-N 3.1Å; H60-G146 PolarHBondContact CE1-O 2.83Å; H60-G146 PolarHBondContact NE2-O 2.04Å
61	I	94.9	Very high	94.7	Very high	6 Å²	6	55 Å²	55	3%	0.031	26%	0.263	C	S	.	.			trans	-93	107.8	-176.7	-60.4	165.8	0	0	0	108.3	W58 E63 V64 Y142	W58-I61 HydrophobicContact CB-CB 4.42Å; W58-I61 HydrophobicContact CB-CD1 3.78Å; W58-I61 HydrophobicContact CB-CG1 4.45Å; W58-I61 HydrophobicContact CD2-CD1 3.7Å; W58-I61 HydrophobicContact CE3-CD1 4.03Å; W58-I61 HydrophobicContact CG-CD1 3.59Å; W58-I61 WeakPolarHBondContact O-CB 3.46Å; W58-I61 PolarHBondContact O-N 3.12Å; I61-E63 HydrophobicContact CG2-CB 4.42Å; I61-E63 WeakPolarHBondContact CG2-OE2 3.36Å; I61-V64 HydrophobicContact CG2-CB 4.29Å; I61-V64 HydrophobicContact CG2-CG2 4.21Å; I61-Y142 HydrophobicContact CB-CE2 4.41Å; I61-Y142 HydrophobicContact CD1-CD1 3.53Å; I61-Y142 HydrophobicContact CD1-CD2 3.58Å; I61-Y142 HydrophobicContact CD1-CE1 3.8Å; I61-Y142 HydrophobicContact CD1-CE2 3.84Å; I61-Y142 HydrophobicContact CD1-CG 3.41Å; I61-Y142 VanDerWaalsContact CD1-CG 3.41Å; I61-Y142 HydrophobicContact CG1-CD1 4.2Å; I61-Y142 HydrophobicContact CG1-CD2 4.28Å; I61-Y142 HydrophobicContact CG1-CE1 3.94Å; I61-Y142 HydrophobicContact CG1-CE2 4.02Å; I61-Y142 HydrophobicContact CG1-CG 4.36Å; I61-Y142 HydrophobicContact CG2-CD2 4.05Å; I61-Y142 HydrophobicContact CG2-CE2 3.48Å; I61-Y142 VanDerWaalsContact CG2-CE2 3.48Å
62	K	93.4	Very high	94.5	Very high	172 Å²	172	63.2 Å²	63.2	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.8	-173	-65.1	-178.5	-178.1	176.5	0	112.8	V64	K62-V64 VanDerWaalsContact C-N 3.3Å
63	E	91.9	Very high	94.4	Very high	96 Å²	96	64.8 Å²	64.8	45%	0.449	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.5	-176.2	-60.2	80.1	-177.5	0	0	112.3	A33 C34 I61 T140	A33-E63 WeakPolarHBondContact CA-O 3.41Å; A33-E63 WeakPolarHBondContact CB-O 3.27Å; C34-E63 WeakPolarHBondContact CB-O 3.19Å; C34-E63 PolarHBondContact N-O 3.17Å; I61-E63 HydrophobicContact CG2-CB 4.42Å; I61-E63 WeakPolarHBondContact CG2-OE2 3.36Å; E63-T140 HydrophobicContact CB-CG2 3.95Å
64	V	96.2	Very high	94.2	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.6	-177	-172.5	0	0	0	0	109.7	C34 V36 W58 I61 K62 F66 I134 C138 T140	C34-V64 CarbonylContact O-C 3.45Å; C34-V64 WeakPolarHBondContact O-CA 3.41Å; V36-V64 HydrophobicContact CG2-CG1 3.75Å; W58-V64 HydrophobicContact CE3-CB 4.04Å; W58-V64 HydrophobicContact CE3-CG1 4Å; W58-V64 HydrophobicContact CE3-CG2 4.33Å; W58-V64 HydrophobicContact CZ3-CB 4.17Å; W58-V64 HydrophobicContact CZ3-CG1 3.98Å; W58-V64 HydrophobicContact CZ3-CG2 4.04Å; I61-V64 HydrophobicContact CG2-CB 4.29Å; I61-V64 HydrophobicContact CG2-CG2 4.21Å; K62-V64 VanDerWaalsContact C-N 3.3Å; V64-F66 HydrophobicContact CG1-CE2 3.99Å; V64-F66 HydrophobicContact CG1-CZ 4.03Å; V64-I134 HydrophobicContact CG1-CG2 4.04Å; V64-C138 HydrophobicContact CG2-CB 3.87Å; V64-T140 HydrophobicContact CG2-CG2 3.89Å
65	R	96.4	Very high	93.7	Very high	117 Å²	117	63.9 Å²	63.9	44%	0.442	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.6	177.4	-67.2	-178	-178.2	-172.6	-1.7	110.1	A33 C34 H35 V36	A33-R65 HydrophobicContact CB-CG 3.78Å; C34-R65 PolarHBondContact O-N 3.06Å; H35-R65 CarbonylContact C-O 3.24Å; H35-R65 WeakPolarHBondContact CA-O 3.4Å; V36-R65 PolarHBondContact N-O 2.84Å
66	F	96.8	Very high	93.2	Very high	26 Å²	26	66 Å²	66	11%	0.114	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.6	176	-59.8	-95.4	0	0	0	109	L18 V36 L51 L54 A55 W58 V64 I134	L18-F66 HydrophobicContact CD2-CB 3.38Å; V36-F66 HydrophobicContact CB-CD1 3.69Å; V36-F66 HydrophobicContact CB-CE1 3.83Å; V36-F66 HydrophobicContact CG1-CD1 4.24Å; V36-F66 HydrophobicContact CG1-CE1 4.19Å; V36-F66 HydrophobicContact CG2-CD1 4.17Å; V36-F66 HydrophobicContact CG2-CE1 3.88Å; V36-F66 HydrophobicContact CG2-CZ 4.4Å; V36-F66 WeakPolarHBondContact O-CA 3.33Å; L51-F66 HydrophobicContact CB-CD1 4.36Å; L51-F66 HydrophobicContact CD2-CD1 4.16Å; L51-F66 HydrophobicContact CG-CD1 4.06Å; L54-F66 HydrophobicContact CB-CD1 4.45Å; L54-F66 HydrophobicContact CB-CE1 3.77Å; L54-F66 HydrophobicContact CB-CE2 4.49Å; L54-F66 HydrophobicContact CB-CZ 3.8Å; L54-F66 HydrophobicContact CD1-CE1 4.14Å; A55-F66 HydrophobicContact CB-CB 3.74Å; A55-F66 HydrophobicContact CB-CD2 3.83Å; A55-F66 HydrophobicContact CB-CG 3.87Å; W58-F66 HydrophobicContact CB-CE2 3.89Å; W58-F66 HydrophobicContact CD2-CE2 4.22Å; W58-F66 HydrophobicContact CD2-CZ 4.07Å; W58-F66 AromaticContact CE3-CE2 3.88Å; W58-F66 HydrophobicContact CE3-CE2 3.88Å; W58-F66 AromaticContact CE3-CZ 3.69Å; W58-F66 HydrophobicContact CE3-CZ 3.69Å; W58-F66 HydrophobicContact CG-CE2 4.27Å; W58-F66 HydrophobicContact CG-CZ 4.45Å; W58-F66 HydrophobicContact CZ3-CZ 4.27Å; V64-F66 HydrophobicContact CG1-CE2 3.99Å; V64-F66 HydrophobicContact CG1-CZ 4.03Å; F66-I134 HydrophobicContact CE1-CD1 4.28Å
67	C	96.3	Very high	92.6	Very high	6 Å²	6	64.6 Å²	64.6	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	171.1	176.1	60.7	0	0	0	0	112.1	V21 V36 V37 V38	V21-C67 HydrophobicContact CG1-CB 4.02Å; V21-C67 HydrophobicContact CG2-CB 4.04Å; V36-C67 PolarHBondContact O-N 3.16Å; V36-C67 VanDerWaalsContact O-N 3.15Å; V37-C67 WeakPolarHBondContact CA-O 3.25Å; V38-C67 PolarHBondContact N-O 2.93Å
68	R	95.8	Very high	92	Very high	58 Å²	58	66.2 Å²	66.2	22%	0.219	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.8	167	-69.1	166	76.2	-176.8	6.1	109.3	L18 N19 L20 V21 V38 E40	L18-R68 HydrophobicContact CB-CG 3.86Å; L18-R68 WeakPolarHBondContact O-CD 3.41Å; N19-R68 PolarHBondContact O-N 3.22Å; L20-R68 WeakPolarHBondContact CA-O 3.34Å; L20-R68 HydrophobicContact CB-CB 4.4Å; L20-R68 HydrophobicContact CD1-CB 3.97Å; V21-R68 PolarHBondContact N-O 3.24Å; V38-R68 HydrophobicContact CB-CG 4.24Å; V38-R68 WeakPolarHBondContact O-CA 3.2Å; E40-R68 IonicContact OE1-CZ 3.99Å; E40-R68 IonicContact OE1-NH2 2.87Å; E40-R68 PolarHBondContact OE1-NH2 3.46Å; E40-R68 IonicContact OE2-CZ 3.27Å; E40-R68 VanDerWaalsContact OE2-CZ 3.27Å; E40-R68 IonicContact OE2-NE 2.97Å; E40-R68 PolarHBondContact OE2-NE 3.48Å; E40-R68 IonicContact OE2-NH2 2.75Å; E40-R68 PolarHBondContact OE2-NH2 3.25Å
69	F	95.2	Very high	91.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.4	178.4	-169.4	-108.5	0	0	0	111.8	V21 W23 L26 V37 V38 L39 E40 K71 E73 M74	V21-F69 HydrophobicContact CG2-CD2 4.09Å; V21-F69 VanDerWaalsContact O-CD2 3.3Å; V21-F69 WeakPolarHBondContact O-CD2 3.3Å; W23-F69 HydrophobicContact CB-CE2 4.17Å; W23-F69 HydrophobicContact CB-CZ 4.02Å; W23-F69 HydrophobicContact CE3-CE1 4.48Å; W23-F69 HydrophobicContact CE3-CE2 4.48Å; W23-F69 AromaticContact CE3-CZ 3.88Å; W23-F69 HydrophobicContact CE3-CZ 3.88Å; L26-F69 HydrophobicContact CD2-CB 4.47Å; L26-F69 HydrophobicContact CD2-CD1 4.2Å; L26-F69 HydrophobicContact CD2-CD2 3.78Å; L26-F69 HydrophobicContact CD2-CE1 4.38Å; L26-F69 HydrophobicContact CD2-CE2 4.05Å; L26-F69 HydrophobicContact CD2-CG 3.88Å; L26-F69 HydrophobicContact CD2-CZ 4.33Å; V37-F69 HydrophobicContact CG1-CB 3.25Å; V37-F69 HydrophobicContact CG1-CG 4.32Å; V38-F69 PolarHBondContact O-N 3.43Å; L39-F69 CarbonylContact C-O 3.59Å; L39-F69 WeakPolarHBondContact CA-O 3.19Å; E40-F69 PolarHBondContact N-O 3.01Å; F69-K71 PolarHBondContact O-N 3Å; F69-E73 HydrophobicContact CE1-CB 3.53Å; F69-E73 HydrophobicContact CZ-CB 3.54Å; F69-E73 HydrophobicContact CZ-CG 4.48Å; F69-M74 HydrophobicContact CD1-CB 3.95Å; F69-M74 HydrophobicContact CD1-CE 3.65Å; F69-M74 HydrophobicContact CE1-CB 4.12Å; F69-M74 HydrophobicContact CE1-CE 4.19Å; F69-M74 HydrophobicContact CG-CE 4.4Å
70	P	93.5	Very high	91	Very high	33 Å²	33	62 Å²	62	21%	0.214	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	127.9	179	-24.8	36	0	0	0	112.5	L20 E72 E73 M74	L20-P70 HydrophobicContact CD1-CG 4.32Å; P70-E72 VanDerWaalsContact C-N 3.28Å; P70-E72 PolarHBondContact O-N 3.22Å; P70-E73 HydrophobicContact CB-CB 4.32Å; P70-E73 HydrophobicContact CB-CG 4.25Å; P70-E73 PolarHBondContact O-N 2.9Å; P70-M74 PolarHBondContact O-N 2.68Å; P70-M74 VanDerWaalsContact O-N 3.1Å
71	K	90.2	Very high	90.7	Very high	60 Å²	60	59.4 Å²	59.4	26%	0.261	29%	0.294	S	S	.	.	H	α-helix	trans	-57.6	-42.3	179.4	-179.6	176.4	177.6	179.5	0	111.6	L39 E40 F69 E73 M74 L75	L39-K71 HydrophobicContact CB-CB 4.08Å; L39-K71 HydrophobicContact CB-CG 4.41Å; L39-K71 HydrophobicContact CD1-CG 4.13Å; E40-K71 WeakPolarHBondContact O-CB 3.48Å; E40-K71 PolarHBondContact O-N 2.83Å; F69-K71 PolarHBondContact O-N 3Å; K71-E73 VanDerWaalsContact C-N 3.35Å; K71-E73 PolarHBondContact O-N 3Å; K71-M74 PolarHBondContact O-N 3.35Å; K71-L75 HydrophobicContact CD-CD1 4.49Å; K71-L75 HydrophobicContact CG-CD1 3.86Å; K71-L75 HydrophobicContact CG-CG 4.33Å; K71-L75 VanDerWaalsContact O-CG 3.25Å; K71-L75 WeakPolarHBondContact O-CG 3.41Å; K71-L75 PolarHBondContact O-N 3.05Å
72	E	88.7	Confident	90.1	Very high	171 Å²	171	60.7 Å²	60.7	80%	0.799	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-42.9	-178.7	-63.6	-177.7	-178.4	0	0	111.7	P70 L75 D76	P70-E72 VanDerWaalsContact C-N 3.28Å; P70-E72 PolarHBondContact O-N 3.22Å; E72-L75 PolarHBondContact O-N 3.37Å; E72-D76 PolarHBondContact O-N 3.36Å
73	E	91	Very high	89.1	Confident	72 Å²	72	56.2 Å²	56.2	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-69.9	-34	176.7	-69	-172.6	-125.9	0	0	112.6	F69 P70 K71 L75 D76	F69-E73 HydrophobicContact CE1-CB 3.53Å; F69-E73 HydrophobicContact CZ-CB 3.54Å; F69-E73 HydrophobicContact CZ-CG 4.48Å; P70-E73 HydrophobicContact CB-CB 4.32Å; P70-E73 HydrophobicContact CB-CG 4.25Å; P70-E73 PolarHBondContact O-N 2.9Å; K71-E73 VanDerWaalsContact C-N 3.35Å; K71-E73 PolarHBondContact O-N 3Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.42Å; E73-D76 WeakPolarHBondContact O-CB 3.39Å; E73-D76 PolarHBondContact O-N 3.03Å
74	M	90.6	Very high	87.7	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-34.7	176	-175.7	61.8	67.2	0	0	111.8	L26 V37 L39 F69 P70 K71 D76 V80 V95 M97 A118	L26-M74 HydrophobicContact CD2-CE 4.29Å; V37-M74 HydrophobicContact CB-CE 4.42Å; V37-M74 HydrophobicContact CG1-CE 4.07Å; L39-M74 HydrophobicContact CD1-CG 4.38Å; L39-M74 HydrophobicContact CD2-CB 3.83Å; L39-M74 HydrophobicContact CD2-CE 4.14Å; L39-M74 HydrophobicContact CD2-CG 3.76Å; F69-M74 HydrophobicContact CD1-CB 3.95Å; F69-M74 HydrophobicContact CD1-CE 3.65Å; F69-M74 HydrophobicContact CE1-CB 4.12Å; F69-M74 HydrophobicContact CE1-CE 4.19Å; F69-M74 HydrophobicContact CG-CE 4.4Å; P70-M74 PolarHBondContact O-N 2.68Å; P70-M74 VanDerWaalsContact O-N 3.1Å; K71-M74 PolarHBondContact O-N 3.35Å; M74-D76 VanDerWaalsContact C-N 3.26Å; M74-V80 HydrophobicContact SD-CB 4.41Å; M74-V80 HydrophobicContact SD-CG1 3.99Å; M74-V80 HydrophobicContact SD-CG2 4Å; M74-V95 HydrophobicContact CE-CB 4.31Å; M74-V95 HydrophobicContact CE-CG1 4.13Å; M74-V95 HydrophobicContact CG-CG2 4.14Å; M74-V95 HydrophobicContact SD-CB 4.45Å; M74-V95 HydrophobicContact SD-CG1 3.91Å; M74-M97 HydrophobicContact CE-SD 3.8Å; M74-M97 HydrophobicContact SD-SD 4.37Å; M74-A118 HydrophobicContact SD-CB 4.25Å
75	L	85.1	Confident	85.7	Confident	83 Å²	83	60.3 Å²	60.3	44%	0.435	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-9.5	178.1	-66	177.3	0	0	0	112.7	K71 E72 E73 S77 L82 L86	K71-L75 HydrophobicContact CD-CD1 4.49Å; K71-L75 HydrophobicContact CG-CD1 3.86Å; K71-L75 HydrophobicContact CG-CG 4.33Å; K71-L75 VanDerWaalsContact O-CG 3.25Å; K71-L75 WeakPolarHBondContact O-CG 3.41Å; K71-L75 PolarHBondContact O-N 3.05Å; E72-L75 PolarHBondContact O-N 3.37Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.42Å; L75-S77 PolarHBondContact O-N 2.81Å; L75-L82 HydrophobicContact CD2-CD2 3.98Å; L75-L86 HydrophobicContact CD2-CB 4.36Å; L75-L86 HydrophobicContact CD2-CD1 3.62Å
76	D	86.1	Confident	83.6	Confident	64 Å²	64	55.7 Å²	55.7	34%	0.342	30%	0.295	S	S	.	.			trans	-70.8	105.2	173.3	-172.4	0.4	0	0	0	110.3	E72 E73 M74 S78 H79 V80	E72-D76 PolarHBondContact O-N 3.36Å; E73-D76 WeakPolarHBondContact O-CB 3.39Å; E73-D76 PolarHBondContact O-N 3.03Å; M74-D76 VanDerWaalsContact C-N 3.26Å; D76-S78 PolarHBondContact O-N 3Å; D76-S78 VanDerWaalsContact OD1-CB 3.22Å; D76-S78 WeakPolarHBondContact OD1-CB 3.14Å; D76-S78 PolarHBondContact OD1-N 3.49Å; D76-S78 PolarHBondContact OD1-OG 3.16Å; D76-S78 PolarHBondContact OD2-OG 3.28Å; D76-H79 PolarHBondContact O-N 2.94Å; D76-V80 PolarHBondContact O-N 3.3Å
77	S	82.3	Confident	81.5	Confident	87 Å²	87	64.2 Å²	64.2	61%	0.608	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.5	174.9	67.4	0	0	0	0	113.6	L75 H79 K115	L75-S77 PolarHBondContact O-N 2.81Å; S77-H79 VanDerWaalsContact C-N 3.33Å; S77-K115 WeakPolarHBondContact O-CD 3.26Å; S77-K115 WeakPolarHBondContact O-CE 3.46Å; S77-K115 PolarHBondContact O-NZ 2.88Å
78	S	83	Confident	79.4	Confident	64 Å²	64	73.6 Å²	73.6	45%	0.448	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.1	173.1	87.7	0	0	0	0	112.3	D76 K115	D76-S78 PolarHBondContact O-N 3Å; D76-S78 VanDerWaalsContact OD1-CB 3.22Å; D76-S78 WeakPolarHBondContact OD1-CB 3.14Å; D76-S78 PolarHBondContact OD1-N 3.49Å; D76-S78 PolarHBondContact OD1-OG 3.16Å; D76-S78 PolarHBondContact OD2-OG 3.28Å; S78-K115 WeakPolarHBondContact O-CE 3.24Å
79	H	82.9	Confident	77.5	Confident	54 Å²	54	72.7 Å²	72.7	25%	0.25	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-43.8	-175.2	-70.1	167.8	0	0	0	113.2	W23 D76 S77 P116	W23-H79 AromaticContact CD1-CE1 3.9Å; W23-H79 AromaticContact CD1-NE2 3.92Å; W23-H79 HydrophobicContact CD2-CB 4.15Å; W23-H79 AromaticContact CE2-CG 3.84Å; W23-H79 HydrophobicContact CE3-CB 4.36Å; W23-H79 AromaticContact CG-ND1 3.94Å; W23-H79 HydrophobicContact CH2-CB 3.98Å; W23-H79 WeakPolarHBondContact CH2-O 3.29Å; W23-H79 HydrophobicContact CZ2-CB 3.73Å; W23-H79 WeakPolarHBondContact CZ2-O 3.48Å; W23-H79 HydrophobicContact CZ3-CB 4.29Å; W23-H79 AromaticContact NE1-CD2 3.77Å; W23-H79 AromaticContact NE1-CG 3.86Å; D76-H79 PolarHBondContact O-N 2.94Å; S77-H79 VanDerWaalsContact C-N 3.33Å; H79-P116 WeakPolarHBondContact O-CD 3.49Å
80	V	87.2	Confident	76.2	Confident	4 Å²	4	76.3 Å²	76.3	2%	0.024	41%	0.412	C	S	.	.			trans	-126.6	138.2	-165	178.8	0	0	0	0	111.3	W23 M74 D76 M97 A118	W23-V80 HydrophobicContact CE3-CG2 4.47Å; W23-V80 HydrophobicContact CH2-CG2 3.58Å; W23-V80 HydrophobicContact CZ3-CG2 3.47Å; W23-V80 VanDerWaalsContact CZ3-CG2 3.47Å; M74-V80 HydrophobicContact SD-CB 4.41Å; M74-V80 HydrophobicContact SD-CG1 3.99Å; M74-V80 HydrophobicContact SD-CG2 4Å; D76-V80 PolarHBondContact O-N 3.3Å; V80-M97 HydrophobicContact CG1-CE 4.23Å; V80-M97 HydrophobicContact CG2-CE 4.05Å; V80-A118 HydrophobicContact CG1-CB 3.2Å
81	D	87.2	Confident	75.6	Confident	69 Å²	69	77 Å²	77	37%	0.369	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	94.6	167.5	179.1	22.6	0	0	0	109.6	K83 K115 P116 K117 A118	D81-K83 PolarHBondContact O-N 2.86Å; D81-K115 HydrophobicContact CB-CB 4.04Å; D81-P116 PolarHBondContact N-O 3.3Å; D81-K117 CarbonylContact O-C 3.58Å; D81-K117 VanDerWaalsContact O-CA 3.3Å; D81-K117 WeakPolarHBondContact O-CA 3.44Å; D81-A118 PolarHBondContact O-N 3.13Å
82	L	82.8	Confident	75.2	Confident	33 Å²	33	74.5 Å²	74.5	17%	0.173	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	107.2	-174.3	-168.1	58.2	0	0	0	109.7	L75 A84 L86 V95 A118	L75-L82 HydrophobicContact CD2-CD2 3.98Å; L82-A84 PolarHBondContact O-N 2.99Å; L82-L86 HydrophobicContact CD1-CD1 4.08Å; L82-L86 HydrophobicContact CD2-CB 4.25Å; L82-L86 HydrophobicContact CD2-CD1 3.06Å; L82-L86 HydrophobicContact CD2-CG 3.58Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 3.96Å; L82-V95 HydrophobicContact CD1-CG1 4.47Å; L82-A118 HydrophobicContact CD1-CB 3.52Å
83	K	72.2	Confident	75.1	Confident	78 Å²	78	66.4 Å²	66.4	34%	0.339	37%	0.369	S	S	.	.	S	Bend	trans	-74.5	68	-178.7	-77.2	-118.6	178.4	169.1	0	111.2	D81 A118 Y119 E521 I524	D81-K83 PolarHBondContact O-N 2.86Å; K83-A118 PolarHBondContact N-O 3.04Å; K83-Y119 HydrophobicContact CB-CD1 4.17Å; K83-Y119 HydrophobicContact CB-CE1 4.07Å; K83-Y119 HydrophobicContact CD-CE1 4.3Å; K83-Y119 HydrophobicContact CG-CE1 4.11Å; K83-E521 IonicContact NZ-OE2 3.1Å; K83-E521 PolarHBondContact NZ-OE2 3.08Å; K83-I524 HydrophobicContact CB-CD1 3.95Å; K83-I524 WeakPolarHBondContact O-CD1 3.33Å
84	A	62.6	Low	75.2	Confident	40 Å²	40	63 Å²	63	33%	0.331	35%	0.353	S	S	.	.	S	Bend	trans	177.2	144.7	160.5	0	0	0	0	0	107.3	L82 L86 P120	L82-A84 PolarHBondContact O-N 2.99Å; A84-L86 HydrophobicContact CB-CD2 4.28Å; A84-L86 PolarHBondContact O-N 3.07Å; A84-P120 HydrophobicContact CB-CG 3.9Å
85	N	53.8	Low	75.3	Confident	147 Å²	147	62.9 Å²	62.9	79%	0.786	35%	0.353	S	S	*	.			trans	-69.6	76.3	165.8	-93.8	-36.2	0	0	0	109	K87 K88	N85-K87 PolarHBondContact O-N 3.39Å; N85-K88 PolarHBondContact O-N 2.78Å
86	L	52.2	Low	75.6	Confident	20 Å²	20	59 Å²	59	11%	0.105	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-54.9	-16.9	177.6	-76.4	-163.7	0	0	0	113.1	L75 L82 A84 K88 S89 V92 P120	L75-L86 HydrophobicContact CD2-CB 4.36Å; L75-L86 HydrophobicContact CD2-CD1 3.62Å; L82-L86 HydrophobicContact CD1-CD1 4.08Å; L82-L86 HydrophobicContact CD2-CB 4.25Å; L82-L86 HydrophobicContact CD2-CD1 3.06Å; L82-L86 HydrophobicContact CD2-CG 3.58Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 3.96Å; A84-L86 HydrophobicContact CB-CD2 4.28Å; A84-L86 PolarHBondContact O-N 3.07Å; L86-K88 PolarHBondContact O-N 3.42Å; L86-S89 WeakPolarHBondContact CD2-OG 3.26Å; L86-S89 PolarHBondContact O-N 2.99Å; L86-S89 PolarHBondContact O-OG 2.74Å; L86-S89 VanDerWaalsContact O-OG 3.11Å; L86-V92 HydrophobicContact CD1-CB 4.48Å; L86-V92 HydrophobicContact CD1-CG1 4.23Å; L86-V92 HydrophobicContact CD1-CG2 4.01Å; L86-V92 HydrophobicContact CD2-CG1 4.39Å; L86-V92 HydrophobicContact CD2-CG2 3.51Å; L86-V92 HydrophobicContact CG-CG2 4.35Å; L86-P120 HydrophobicContact CD2-CB 3.75Å; L86-P120 HydrophobicContact CD2-CG 3.7Å
87	K	52.5	Low	76	Confident	205 Å²	205	55.9 Å²	55.9	89%	0.891	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-53	-14.9	173.9	-70	-169.9	178.2	-176.3	0	114	N85	N85-K87 PolarHBondContact O-N 3.39Å
88	K	52.7	Low	76.5	Confident	202 Å²	202	53.2 Å²	53.2	88%	0.878	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-104.2	-8	175.7	-73.4	-172.5	175.9	-177	0	115.9	N85 L86	N85-K88 PolarHBondContact O-N 2.78Å; L86-K88 PolarHBondContact O-N 3.42Å
89	S	56	Low	76.8	Confident	40 Å²	40	54.8 Å²	54.8	28%	0.28	30%	0.295	S	S	.	.			trans	-107.7	120.7	-176	52.4	0	0	0	0	111.7	L86 M122	L86-S89 WeakPolarHBondContact CD2-OG 3.26Å; L86-S89 PolarHBondContact O-N 2.99Å; L86-S89 PolarHBondContact O-OG 2.74Å; L86-S89 VanDerWaalsContact O-OG 3.11Å; S89-M122 VanDerWaalsContact CB-CE 3.49Å
90	G	68.4	Low	76.9	Confident	76 Å²	76	54.9 Å²	54.9	78%	0.784	30%	0.297	S	S	*	.	S	Bend	trans	-67.1	-41.3	-174.6	0	0	0	0	0	114.8
91	C	79.8	Confident	76.5	Confident	48 Å²	48	60 Å²	60	32%	0.324	32%	0.316	S	S	.	.			trans	-125.4	113.4	-177	175.7	0	0	0	0	111.7	C43 M122	C43-C91 VanDerWaalsContact C-SG 3.56Å; C43-C91 HydrophobicContact CB-CB 3.69Å; C43-C91 WeakPolarHBondContact CB-SG 3.29Å; C43-C91 WeakPolarHBondContact SG-CA 3.44Å; C43-C91 WeakPolarHBondContact SG-CB 3.46Å; C43-C91 CovalentContact SG-SG 2.04Å; C43-C91 PolarHBondContact SG-SG 3.07Å; C91-M122 WeakPolarHBondContact O-CE 3.38Å
92	V	81.5	Confident	75.9	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.042	33%	0.325	C	S	.	.			trans	-118.6	95.2	173.4	-179.2	0	0	0	0	106.5	L39 C43 L86 V95 P120 M122	L39-V92 HydrophobicContact CD1-CB 4.44Å; L39-V92 HydrophobicContact CD1-CG1 4.2Å; L39-V92 WeakPolarHBondContact CD1-O 3.31Å; C43-V92 PolarHBondContact SG-N 2.97Å; L86-V92 HydrophobicContact CD1-CB 4.48Å; L86-V92 HydrophobicContact CD1-CG1 4.23Å; L86-V92 HydrophobicContact CD1-CG2 4.01Å; L86-V92 HydrophobicContact CD2-CG1 4.39Å; L86-V92 HydrophobicContact CD2-CG2 3.51Å; L86-V92 HydrophobicContact CG-CG2 4.35Å; V92-V95 HydrophobicContact CG1-CG2 4.14Å; V92-P120 HydrophobicContact CG1-CB 3.66Å; V92-M122 HydrophobicContact CB-SD 4.24Å; V92-M122 HydrophobicContact CG1-SD 4.25Å; V92-M122 HydrophobicContact CG2-CE 3.75Å; V92-M122 HydrophobicContact CG2-SD 3.74Å
93	P	86.6	Confident	75.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.336	C	S	.	.			trans	-80.5	-31.2	-173.9	30.2	-34.9	0	0	0	112.7	V38 L39 D44 A47 W121	V38-P93 WeakPolarHBondContact CA-O 3.43Å; L39-P93 PolarHBondContact N-O 3.01Å; D44-P93 HydrophobicContact CB-CB 3.82Å; D44-P93 HydrophobicContact CB-CG 4.31Å; A47-P93 HydrophobicContact CB-CB 3.59Å; A47-P93 HydrophobicContact CB-CG 4.36Å; P93-W121 WeakPolarHBondContact CD-O 3.32Å
94	V	92.9	Very high	75.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.5	-173.3	-173.8	0	0	0	0	111.6	V36 V37 A47 L51 M96 W121 V124 F130	V36-V94 HydrophobicContact CG1-CG1 3.75Å; V37-V94 CarbonylContact O-C 3.52Å; V37-V94 VanDerWaalsContact O-CA 3.26Å; V37-V94 WeakPolarHBondContact O-CA 3.34Å; A47-V94 HydrophobicContact CB-CG2 3.96Å; L51-V94 HydrophobicContact CD1-CG1 4.45Å; L51-V94 HydrophobicContact CD1-CG2 3.72Å; L51-V94 HydrophobicContact CD2-CG1 3.98Å; L51-V94 HydrophobicContact CD2-CG2 4.27Å; V94-M96 HydrophobicContact CG1-SD 3.75Å; V94-W121 PolarHBondContact O-N 3.02Å; V94-V124 HydrophobicContact CG2-CG1 3.67Å; V94-F130 HydrophobicContact CB-CZ 4.49Å; V94-F130 HydrophobicContact CG1-CE2 4.02Å; V94-F130 HydrophobicContact CG1-CZ 3.83Å; V94-F130 HydrophobicContact CG2-CZ 4.45Å
95	V	92.9	Very high	76.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.4	173.7	175.9	0	0	0	0	110	V37 L39 M74 L82 V92 M97 A118 Y119	V37-V95 HydrophobicContact CB-CB 4.49Å; V37-V95 WeakPolarHBondContact CB-O 3.37Å; V37-V95 PolarHBondContact N-O 3.1Å; V37-V95 PolarHBondContact O-N 2.84Å; L39-V95 HydrophobicContact CD1-CG2 3.93Å; L39-V95 HydrophobicContact CD2-CB 4.4Å; L39-V95 HydrophobicContact CD2-CG2 3.92Å; L39-V95 HydrophobicContact CG-CG2 4.08Å; M74-V95 HydrophobicContact CE-CB 4.31Å; M74-V95 HydrophobicContact CE-CG1 4.13Å; M74-V95 HydrophobicContact CG-CG2 4.14Å; M74-V95 HydrophobicContact SD-CB 4.45Å; M74-V95 HydrophobicContact SD-CG1 3.91Å; L82-V95 HydrophobicContact CD1-CG1 4.47Å; V92-V95 HydrophobicContact CG1-CG2 4.14Å; V95-M97 HydrophobicContact CG1-CG 4.16Å; V95-A118 HydrophobicContact CG1-CB 3.52Å; V95-Y119 WeakPolarHBondContact CA-O 3.32Å
96	M	92.9	Very high	77.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.9	172.9	-72.2	54.7	60	0	0	108.7	V36 V94 A118 Y119 W121 F130 F133 M137	V36-M96 HydrophobicContact CG1-CG 4.31Å; V36-M96 HydrophobicContact CG1-SD 3.98Å; V94-M96 HydrophobicContact CG1-SD 3.75Å; M96-A118 WeakPolarHBondContact O-CA 3.41Å; M96-Y119 WeakPolarHBondContact CE-O 3.31Å; M96-Y119 PolarHBondContact N-O 2.81Å; M96-Y119 PolarHBondContact O-N 3.19Å; M96-W121 HydrophobicContact CE-CB 3.18Å; M96-W121 HydrophobicContact CE-CG 4.18Å; M96-W121 HydrophobicContact SD-CB 4.21Å; M96-F130 HydrophobicContact SD-CE2 3.86Å; M96-F133 HydrophobicContact CB-CE1 4.16Å; M96-F133 HydrophobicContact CE-CD1 3.51Å; M96-F133 HydrophobicContact CE-CE1 3.14Å; M96-F133 HydrophobicContact CE-CZ 4.18Å; M96-F133 HydrophobicContact CG-CD1 4.01Å; M96-F133 HydrophobicContact CG-CE1 3.87Å; M96-F133 HydrophobicContact SD-CD1 4.19Å; M96-F133 HydrophobicContact SD-CE1 4.19Å; M96-M137 HydrophobicContact CB-CB 4.45Å; M96-M137 HydrophobicContact CB-CG 4.26Å; M96-M137 HydrophobicContact CG-CG 4.48Å
97	M	93.9	Very high	78.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	102.8	175.5	-60.4	-170.7	79.4	0	0	108.4	W23 L26 L30 C34 H35 V37 M74 V80 V95 P116 A118	W23-M97 HydrophobicContact CH2-CE 4.45Å; W23-M97 HydrophobicContact CZ3-CE 4.23Å; L26-M97 HydrophobicContact CD1-SD 4.27Å; L26-M97 HydrophobicContact CD2-SD 3.75Å; L26-M97 HydrophobicContact CG-SD 4.13Å; L30-M97 HydrophobicContact CD1-CE 3.73Å; L30-M97 HydrophobicContact CD1-SD 4.44Å; L30-M97 HydrophobicContact CD2-CB 3.51Å; C34-M97 CarbonylContact C-O 3.46Å; C34-M97 WeakPolarHBondContact CA-O 3.31Å; H35-M97 HydrophobicContact CB-CB 4.39Å; H35-M97 PolarHBondContact N-O 2.85Å; H35-M97 PolarHBondContact O-N 3.36Å; V37-M97 HydrophobicContact CG2-CG 4.45Å; V37-M97 HydrophobicContact CG2-SD 4.43Å; M74-M97 HydrophobicContact CE-SD 3.8Å; M74-M97 HydrophobicContact SD-SD 4.37Å; V80-M97 HydrophobicContact CG1-CE 4.23Å; V80-M97 HydrophobicContact CG2-CE 4.05Å; V95-M97 HydrophobicContact CG1-CG 4.16Å; M97-P116 HydrophobicContact CE-CB 3.7Å; M97-A118 HydrophobicContact CG-CB 4.22Å
98	P	91.7	Very high	79.7	Confident	30 Å²	30	57 Å²	57	20%	0.195	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-58	154.9	178.8	-26.8	36.8	0	0	0	112.4	L100 K117 Y119 M137	P98-L100 PolarHBondContact O-N 3.47Å; P98-K117 WeakPolarHBondContact CD-O 3.46Å; P98-Y119 HydrophobicContact CG-CD2 4Å; P98-Y119 HydrophobicContact CG-CE2 3.73Å; P98-M137 HydrophobicContact CG-CE 3.43Å; P98-M137 VanDerWaalsContact CG-CE 3.43Å
99	K	89.7	Confident	80.6	Confident	97 Å²	97	54.1 Å²	54.1	42%	0.422	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-54.6	130.6	170.4	-177.7	-174.5	170.2	-167.5	0	109	L30 R31 R101	L30-K99 CarbonylContact O-C 3.56Å; L30-K99 VanDerWaalsContact O-CA 3.27Å; L30-K99 WeakPolarHBondContact O-CA 3.36Å; L30-K99 WeakPolarHBondContact O-CG 3.15Å; R31-K99 WeakPolarHBondContact O-CE 3.48Å; K99-R101 PolarHBondContact O-N 2.82Å
100	L	86.2	Confident	81.2	Confident	57 Å²	57	55.5 Å²	55.5	30%	0.298	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-67	117.4	174.4	-72.3	174.3	0	0	0	109	L30 P98 P116	L30-L100 HydrophobicContact CB-CD1 3.85Å; L30-L100 HydrophobicContact CB-CG 3.82Å; L30-L100 HydrophobicContact CD1-CD1 4.43Å; L30-L100 PolarHBondContact O-N 2.62Å; P98-L100 PolarHBondContact O-N 3.47Å; L100-P116 HydrophobicContact CD1-CG 4.35Å; L100-P116 HydrophobicContact CD2-CB 4.1Å; L100-P116 HydrophobicContact CD2-CG 4.33Å
101	R	78.1	Confident	81.3	Confident	111 Å²	111	60.3 Å²	60.3	42%	0.419	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-84	135.8	164.8	-69.3	-170.2	174.3	-178.9	1.6	109.1	K99 D103 D505 E516	K99-R101 PolarHBondContact O-N 2.82Å; R101-D103 PolarHBondContact O-N 2.95Å; R101-D505 IonicContact CZ-OD2 2.68Å; R101-D505 IonicContact NH1-OD2 3.72Å; R101-D505 PolarHBondContact NH1-OD2 2.97Å; R101-E516 IonicContact CZ-OE2 3.89Å; R101-E516 IonicContact NE-OE2 3.53Å; R101-E516 IonicContact NH2-OE2 3.55Å; R101-E516 PolarHBondContact NH2-OE2 2.82Å
102	E	74.4	Confident	80.8	Confident	120 Å²	120	64.6 Å²	64.6	56%	0.561	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-70.2	126.7	175.2	-170.2	170	-169.9	0	0	108.4	R104	E102-R104 HydrophobicContact CB-CG 4.17Å; E102-R104 HydrophobicContact CG-CG 4.14Å; E102-R104 PolarHBondContact O-N 3Å; E102-R104 IonicContact OE2-CZ 2.84Å; E102-R104 IonicContact OE2-NH1 2.72Å; E102-R104 PolarHBondContact OE2-NH1 3.28Å; E102-R104 IonicContact OE2-NH2 3.97Å; E102-R104 PolarHBondContact OE2-NH2 3.09Å
103	D	74.1	Confident	80.3	Confident	75 Å²	75	69.4 Å²	69.4	40%	0.401	36%	0.359	S	S	.	.			trans	-74.9	87.3	171.2	-173.6	-13.2	0	0	0	107.9	R101 V105 C106 K114	R101-D103 PolarHBondContact O-N 2.95Å; D103-V105 VanDerWaalsContact C-N 3.26Å; D103-V105 PolarHBondContact OD1-N 3.28Å; D103-C106 PolarHBondContact OD1-N 2.87Å; D103-C106 VanDerWaalsContact OD1-N 3.09Å; D103-K114 IonicContact OD2-NZ 2.65Å; D103-K114 PolarHBondContact OD2-NZ 2.85Å
104	R	77.5	Confident	79.8	Confident	66 Å²	66	76.2 Å²	76.2	25%	0.249	39%	0.388	C	S	.	.			trans	-77.3	-17.9	179.8	-58.8	-175.4	-170	-69	-15.7	111.8	E102 Y414 E507 F508 P509	E102-R104 HydrophobicContact CB-CG 4.17Å; E102-R104 HydrophobicContact CG-CG 4.14Å; E102-R104 PolarHBondContact O-N 3Å; E102-R104 IonicContact OE2-CZ 2.84Å; E102-R104 IonicContact OE2-NH1 2.72Å; E102-R104 PolarHBondContact OE2-NH1 3.28Å; E102-R104 IonicContact OE2-NH2 3.97Å; E102-R104 PolarHBondContact OE2-NH2 3.09Å; R104-Y414 WeakPolarHBondContact O-CE2 3.48Å; R104-Y414 VanDerWaalsContact O-CZ 3.23Å; R104-Y414 PolarHBondContact O-OH 2.86Å; R104-E507 IonicContact CZ-OE2 3.08Å; R104-E507 IonicContact NE-OE2 2.75Å; R104-E507 PolarHBondContact NE-OE2 3.26Å; R104-E507 IonicContact NH2-OE2 2.85Å; R104-E507 PolarHBondContact NH2-OE2 3.45Å; R104-E507 VanDerWaalsContact NH2-OE2 3.1Å; R104-F508 VanDerWaalsContact CB-O 3.31Å; R104-F508 WeakPolarHBondContact CB-O 3.48Å; R104-P509 VanDerWaalsContact CD-O 3.27Å; R104-P509 WeakPolarHBondContact CD-O 3.41Å
105	V	75.3	Confident	79.4	Confident	95 Å²	95	80.9 Å²	80.9	58%	0.576	41%	0.408	S	S	*	.	S	Bend	trans	-73.9	-40.5	-176.1	-175	0	0	0	0	111	D103 Y414 F508	D103-V105 VanDerWaalsContact C-N 3.26Å; D103-V105 PolarHBondContact OD1-N 3.28Å; V105-Y414 WeakPolarHBondContact CA-OH 3.42Å; V105-Y414 PolarHBondContact O-OH 3.49Å; V105-F508 HydrophobicContact CG2-CE2 4.43Å
106	C	75.7	Confident	79.3	Confident	71 Å²	71	81.2 Å²	81.2	48%	0.48	41%	0.411	S	S	.	.			trans	-90.2	110	177.2	-163.4	0	0	0	0	112	D103 L108	D103-C106 PolarHBondContact OD1-N 2.87Å; D103-C106 VanDerWaalsContact OD1-N 3.09Å; C106-L108 VanDerWaalsContact C-N 3.27Å; C106-L108 PolarHBondContact O-N 3.3Å
107	L	77	Confident	79.1	Confident	23 Å²	23	84.4 Å²	84.4	12%	0.12	43%	0.425	C	S	.	.			trans	-75.9	-12.1	178.4	-66.8	-174.1	0	0	0	115	V296 H299 L300 Y414 A437	L107-V296 HydrophobicContact CB-CB 4.43Å; L107-V296 HydrophobicContact CB-CG1 4.08Å; L107-V296 HydrophobicContact CB-CG2 4.12Å; L107-V296 HydrophobicContact CD1-CG1 3.81Å; L107-H299 HydrophobicContact CD1-CB 4.47Å; L107-H299 HydrophobicContact CD2-CB 3.46Å; L107-H299 VanDerWaalsContact CD2-CB 3.46Å; L107-H299 HydrophobicContact CG-CB 4.49Å; L107-L300 HydrophobicContact CD1-CD2 4.41Å; L107-Y414 HydrophobicContact CD1-CD1 4.21Å; L107-Y414 HydrophobicContact CD1-CD2 4.03Å; L107-Y414 HydrophobicContact CD1-CE2 4.39Å; L107-Y414 HydrophobicContact CD1-CG 3.93Å; L107-Y414 HydrophobicContact CD2-CD2 3.45Å; L107-Y414 VanDerWaalsContact CD2-CD2 3.45Å; L107-Y414 HydrophobicContact CD2-CE2 3.32Å; L107-Y414 HydrophobicContact CD2-CG 4.21Å; L107-Y414 HydrophobicContact CG-CD2 4.13Å; L107-Y414 HydrophobicContact CG-CE2 4.03Å; L107-Y414 HydrophobicContact CG-CG 4.44Å; L107-A437 HydrophobicContact CD1-CB 3.78Å
108	L	77	Confident	78.9	Confident	79 Å²	79	84.4 Å²	84.4	41%	0.414	43%	0.425	S	S	.	.	S	Bend	trans	-94.1	134	176	-71.1	171.3	0	0	0	109.2	C106 P293 V296	C106-L108 VanDerWaalsContact C-N 3.27Å; C106-L108 PolarHBondContact O-N 3.3Å; L108-P293 HydrophobicContact CD2-CB 4.36Å; L108-P293 HydrophobicContact CD2-CG 4.12Å; L108-V296 HydrophobicContact CD2-CG2 3.44Å; L108-V296 VanDerWaalsContact CD2-CG2 3.44Å; L108-V296 HydrophobicContact CG-CG2 3.91Å
109	K	70.1	Confident	78.9	Confident	142 Å²	142	83.5 Å²	83.5	62%	0.617	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-61.6	133.7	167.6	-81.5	-179.9	-176.6	140.7	0	109.4	I111 E295	K109-I111 PolarHBondContact O-N 2.96Å; K109-E295 WeakPolarHBondContact CB-OE2 3.38Å; K109-E295 WeakPolarHBondContact CD-OE1 3.21Å; K109-E295 WeakPolarHBondContact CE-OE1 3.25Å; K109-E295 WeakPolarHBondContact CG-OE1 3.45Å; K109-E295 WeakPolarHBondContact CG-OE2 3.32Å; K109-E295 IonicContact NZ-OE1 2.72Å; K109-E295 PolarHBondContact NZ-OE1 3.16Å
110	P	69.5	Low	78.9	Confident	69 Å²	69	79.9 Å²	79.9	45%	0.448	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-61.9	139.2	173.6	29.3	-35.1	0	0	0	108.8	L112 K114	P110-L112 VanDerWaalsContact CB-O 3.3Å; P110-L112 WeakPolarHBondContact CB-O 3.19Å; P110-L112 WeakPolarHBondContact CG-O 3.44Å; P110-L112 PolarHBondContact O-N 3.41Å; P110-K114 HydrophobicContact CG-CG 4.35Å
111	I	70.6	Confident	79	Confident	176 Å²	176	79.7 Å²	79.7	90%	0.903	40%	0.399	S	S	*	.	S	Bend	trans	-55.2	-36.3	-179	-63.8	170.3	0	0	0	110.7	K109	K109-I111 PolarHBondContact O-N 2.96Å
112	L	68.9	Low	79.4	Confident	138 Å²	138	78.6 Å²	78.6	72%	0.723	40%	0.4	S	S	*	.	S	Bend	trans	-110.3	132.9	170.8	-65.1	171.1	0	0	0	108.5	P110 K114	P110-L112 VanDerWaalsContact CB-O 3.3Å; P110-L112 WeakPolarHBondContact CB-O 3.19Å; P110-L112 WeakPolarHBondContact CG-O 3.44Å; P110-L112 PolarHBondContact O-N 3.41Å; L112-K114 PolarHBondContact O-N 2.86Å
113	P	70.5	Confident	79.9	Confident	109 Å²	109	76.6 Å²	76.6	71%	0.708	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-56.1	127.4	174.1	21.8	-29.9	0	0	0	109.3	K115	P113-K115 PolarHBondContact O-N 2.87Å; P113-K115 VanDerWaalsContact O-N 3.14Å
114	K	76.8	Confident	80.4	Confident	143 Å²	143	73 Å²	73	62%	0.622	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-60.2	119.5	172.3	-76.8	-178	178.8	176.3	0	107.4	D103 P110 L112	D103-K114 IonicContact OD2-NZ 2.65Å; D103-K114 PolarHBondContact OD2-NZ 2.85Å; P110-K114 HydrophobicContact CG-CG 4.35Å; L112-K114 PolarHBondContact O-N 2.86Å
115	K	85.6	Confident	80.8	Confident	97 Å²	97	74.6 Å²	74.6	42%	0.422	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-71.2	138.7	176.9	-63.4	168.9	-170.2	167.3	0	108.6	S77 S78 D81 P113 K117	S77-K115 WeakPolarHBondContact O-CD 3.26Å; S77-K115 WeakPolarHBondContact O-CE 3.46Å; S77-K115 PolarHBondContact O-NZ 2.88Å; S78-K115 WeakPolarHBondContact O-CE 3.24Å; D81-K115 HydrophobicContact CB-CB 4.04Å; P113-K115 PolarHBondContact O-N 2.87Å; P113-K115 VanDerWaalsContact O-N 3.14Å; K115-K117 PolarHBondContact O-N 2.86Å
116	P	89.3	Confident	81.5	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.052	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-57.3	136.9	173.4	-24.6	35	0	0	0	110.9	W23 N27 L30 H79 D81 M97 L100	W23-P116 HydrophobicContact CH2-CG 3.98Å; W23-P116 HydrophobicContact CZ2-CG 4.45Å; N27-P116 WeakPolarHBondContact OD1-CG 3.46Å; L30-P116 HydrophobicContact CD1-CB 3.62Å; L30-P116 HydrophobicContact CD1-CG 3.81Å; H79-P116 WeakPolarHBondContact O-CD 3.49Å; D81-P116 PolarHBondContact N-O 3.3Å; M97-P116 HydrophobicContact CE-CB 3.7Å; L100-P116 HydrophobicContact CD1-CG 4.35Å; L100-P116 HydrophobicContact CD2-CB 4.1Å; L100-P116 HydrophobicContact CD2-CG 4.33Å
117	K	89	Confident	82.3	Confident	67 Å²	67	72.3 Å²	72.3	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.2	176.2	-67.5	-177.1	-179.1	173.1	0	110	D81 P98 K115 Y119 E521	D81-K117 CarbonylContact O-C 3.58Å; D81-K117 VanDerWaalsContact O-CA 3.3Å; D81-K117 WeakPolarHBondContact O-CA 3.44Å; P98-K117 WeakPolarHBondContact CD-O 3.46Å; K115-K117 PolarHBondContact O-N 2.86Å; K117-Y119 HydrophobicContact CB-CE2 3.61Å; K117-Y119 WeakPolarHBondContact CD-OH 3.4Å; K117-E521 IonicContact NZ-OE1 2.83Å; K117-E521 PolarHBondContact NZ-OE1 2.9Å; K117-E521 IonicContact NZ-OE2 3.4Å; K117-E521 PolarHBondContact NZ-OE2 3.41Å
118	A	90.5	Very high	83	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.5	175	0	0	0	0	0	110.5	M74 V80 D81 L82 K83 V95 M96 M97	M74-A118 HydrophobicContact SD-CB 4.25Å; V80-A118 HydrophobicContact CG1-CB 3.2Å; D81-A118 PolarHBondContact O-N 3.13Å; L82-A118 HydrophobicContact CD1-CB 3.52Å; K83-A118 PolarHBondContact N-O 3.04Å; V95-A118 HydrophobicContact CG1-CB 3.52Å; M96-A118 WeakPolarHBondContact O-CA 3.41Å; M97-A118 HydrophobicContact CG-CB 4.22Å
119	Y	90.8	Very high	83.7	Confident	10 Å²	10	76 Å²	76	4%	0.039	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.4	-174.8	-62.2	-96.7	0	0	0	107.8	K83 V95 M96 P98 K117 M137 P522 I524	K83-Y119 HydrophobicContact CB-CD1 4.17Å; K83-Y119 HydrophobicContact CB-CE1 4.07Å; K83-Y119 HydrophobicContact CD-CE1 4.3Å; K83-Y119 HydrophobicContact CG-CE1 4.11Å; V95-Y119 WeakPolarHBondContact CA-O 3.32Å; M96-Y119 WeakPolarHBondContact CE-O 3.31Å; M96-Y119 PolarHBondContact N-O 2.81Å; M96-Y119 PolarHBondContact O-N 3.19Å; P98-Y119 HydrophobicContact CG-CD2 4Å; P98-Y119 HydrophobicContact CG-CE2 3.73Å; K117-Y119 HydrophobicContact CB-CE2 3.61Å; K117-Y119 WeakPolarHBondContact CD-OH 3.4Å; Y119-M137 HydrophobicContact CD1-CE 3.83Å; Y119-M137 HydrophobicContact CD1-SD 4.42Å; Y119-M137 HydrophobicContact CD2-CE 3.28Å; Y119-M137 HydrophobicContact CE1-CE 3.96Å; Y119-M137 HydrophobicContact CE2-CE 3.4Å; Y119-M137 HydrophobicContact CG-CE 3.51Å; Y119-M137 HydrophobicContact CG-SD 4.31Å; Y119-P522 HydrophobicContact CD1-CG 4.39Å; Y119-P522 HydrophobicContact CE1-CG 3.98Å; Y119-I524 HydrophobicContact CD1-CD1 3.63Å; Y119-I524 HydrophobicContact CD1-CG1 4.38Å; Y119-I524 HydrophobicContact CE1-CD1 4.12Å
120	P	89.1	Confident	84.8	Confident	22 Å²	22	69.2 Å²	69.2	14%	0.143	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	149.6	179.9	30.2	-34.1	0	0	0	111.4	A84 L86 V92 M122	A84-P120 HydrophobicContact CB-CG 3.9Å; L86-P120 HydrophobicContact CD2-CB 3.75Å; L86-P120 HydrophobicContact CD2-CG 3.7Å; V92-P120 HydrophobicContact CG1-CB 3.66Å; P120-M122 HydrophobicContact CB-SD 4.46Å
121	W	88.8	Confident	86	Confident	53 Å²	53	66.1 Å²	66.1	20%	0.201	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.6	170.1	-175.8	-89.8	0	0	0	111.2	P93 V94 M96 D123 F130 F133	P93-W121 WeakPolarHBondContact CD-O 3.32Å; V94-W121 PolarHBondContact O-N 3.02Å; M96-W121 HydrophobicContact CE-CB 3.18Å; M96-W121 HydrophobicContact CE-CG 4.18Å; M96-W121 HydrophobicContact SD-CB 4.21Å; W121-D123 VanDerWaalsContact NE1-C 3.31Å; W121-D123 PolarHBondContact NE1-O 3.12Å; W121-F130 HydrophobicContact CB-CE2 4.48Å; W121-F130 AromaticContact CD1-CD2 3.36Å; W121-F130 AromaticContact CD1-CE2 3.86Å; W121-F130 HydrophobicContact CD2-CD2 4.09Å; W121-F130 AromaticContact CE2-CD2 3.88Å; W121-F130 AromaticContact CG-CD2 3.79Å; W121-F130 HydrophobicContact CG-CD2 3.79Å; W121-F130 HydrophobicContact CG-CE2 4.14Å; W121-F130 HydrophobicContact CZ2-CB 4.31Å; W121-F130 AromaticContact NE1-CD2 3.4Å; W121-F130 AromaticContact NE1-CG 3.82Å; W121-F133 HydrophobicContact CD2-CB 4.45Å; W121-F133 HydrophobicContact CD2-CD1 4.36Å; W121-F133 HydrophobicContact CD2-CG 4.27Å; W121-F133 HydrophobicContact CE3-CB 3.87Å; W121-F133 AromaticContact CE3-CD1 3.72Å; W121-F133 HydrophobicContact CE3-CD1 3.72Å; W121-F133 AromaticContact CE3-CD2 3.6Å; W121-F133 HydrophobicContact CE3-CD2 3.6Å; W121-F133 HydrophobicContact CE3-CE1 4.18Å; W121-F133 HydrophobicContact CE3-CE2 4.03Å; W121-F133 AromaticContact CE3-CG 3.41Å; W121-F133 HydrophobicContact CE3-CG 3.41Å; W121-F133 VanDerWaalsContact CE3-CG 3.41Å; W121-F133 HydrophobicContact CE3-CZ 4.3Å; W121-F133 HydrophobicContact CH2-CB 3.89Å; W121-F133 HydrophobicContact CH2-CD2 4.3Å; W121-F133 HydrophobicContact CH2-CG 4.22Å; W121-F133 HydrophobicContact CZ2-CB 4.45Å; W121-F133 HydrophobicContact CZ3-CB 3.57Å; W121-F133 HydrophobicContact CZ3-CD1 4.19Å; W121-F133 AromaticContact CZ3-CD2 3.29Å; W121-F133 HydrophobicContact CZ3-CD2 3.29Å; W121-F133 HydrophobicContact CZ3-CE2 4Å; W121-F133 AromaticContact CZ3-CG 3.39Å; W121-F133 HydrophobicContact CZ3-CG 3.39Å
122	M	85.9	Confident	87	Confident	87 Å²	87	62.4 Å²	62.4	43%	0.429	33%	0.327	S	S	.	.			trans	-102.1	-24.9	-161.8	-51.7	-56.2	-76.6	0	0	113.1	S89 C91 V92 P120	S89-M122 VanDerWaalsContact CB-CE 3.49Å; C91-M122 WeakPolarHBondContact O-CE 3.38Å; V92-M122 HydrophobicContact CB-SD 4.24Å; V92-M122 HydrophobicContact CG1-SD 4.25Å; V92-M122 HydrophobicContact CG2-CE 3.75Å; V92-M122 HydrophobicContact CG2-SD 3.74Å; P120-M122 HydrophobicContact CB-SD 4.46Å
123	D	85.7	Confident	88.1	Confident	78 Å²	78	57.1 Å²	57.1	42%	0.417	30%	0.298	S	S	.	.			trans	-131	94.9	-171.3	179.5	15.2	0	0	0	112	W121 S125	W121-D123 VanDerWaalsContact NE1-C 3.31Å; W121-D123 PolarHBondContact NE1-O 3.12Å; D123-S125 VanDerWaalsContact C-N 3.3Å; D123-S125 WeakPolarHBondContact OD1-CB 3.45Å; D123-S125 PolarHBondContact OD1-N 2.75Å; D123-S125 PolarHBondContact OD1-OG 2.99Å; D123-S125 PolarHBondContact OD2-OG 3.06Å
124	V	84.8	Confident	89.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.264	C	S	.	.			trans	-82.8	-5.2	175.6	-64.5	0	0	0	0	113.3	D44 A47 V94 N126 F130	D44-V124 WeakPolarHBondContact OD2-CG2 3.47Å; A47-V124 HydrophobicContact CB-CG1 4.15Å; A47-V124 HydrophobicContact CB-CG2 3.93Å; V94-V124 HydrophobicContact CG2-CG1 3.67Å; V124-N126 VanDerWaalsContact C-N 3.33Å; V124-N126 PolarHBondContact O-N 2.86Å; V124-F130 HydrophobicContact CG1-CD1 4.33Å; V124-F130 HydrophobicContact CG1-CE1 4.29Å; V124-F130 HydrophobicContact CG1-CZ 4.47Å
125	S	85.3	Confident	89.9	Confident	99 Å²	99	45.7 Å²	45.7	69%	0.692	24%	0.238	S	C	*	.	S	Bend	trans	-67.9	-36.1	-176.5	74.6	0	0	0	0	111.6	D123 I127	D123-S125 VanDerWaalsContact C-N 3.3Å; D123-S125 WeakPolarHBondContact OD1-CB 3.45Å; D123-S125 PolarHBondContact OD1-N 2.75Å; D123-S125 PolarHBondContact OD1-OG 2.99Å; D123-S125 PolarHBondContact OD2-OG 3.06Å; S125-I127 PolarHBondContact O-N 2.84Å; S125-I127 VanDerWaalsContact O-N 3.13Å
126	N	90.1	Very high	90.1	Very high	73 Å²	73	45.3 Å²	45.3	39%	0.39	24%	0.238	S	C	.	.	S	Bend	trans	-83.6	81.8	168.5	-169	-33.3	0	0	0	110.4	V124 E128 S129 F130	V124-N126 VanDerWaalsContact C-N 3.33Å; V124-N126 PolarHBondContact O-N 2.86Å; N126-E128 PolarHBondContact O-N 2.86Å; N126-E128 PolarHBondContact OD1-N 3.39Å; N126-S129 PolarHBondContact ND2-OG 2.95Å; N126-S129 VanDerWaalsContact ND2-OG 3.15Å; N126-S129 PolarHBondContact O-N 2.95Å; N126-S129 WeakPolarHBondContact OD1-CB 3.23Å; N126-S129 PolarHBondContact OD1-N 3.35Å; N126-S129 PolarHBondContact OD1-OG 2.74Å; N126-S129 VanDerWaalsContact OD1-OG 3.05Å; N126-F130 PolarHBondContact O-N 2.83Å
127	I	92.1	Very high	90	Very high	45 Å²	45	45.8 Å²	45.8	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-56.7	-32.8	-177.1	-170.6	56.8	0	0	0	113.3	V50 L54 S125 F130 V131 K144	V50-I127 HydrophobicContact CG1-CD1 3.45Å; V50-I127 VanDerWaalsContact CG1-CD1 3.45Å; L54-I127 HydrophobicContact CD1-CD1 4.06Å; L54-I127 HydrophobicContact CD2-CD1 4.35Å; L54-I127 HydrophobicContact CG-CD1 4.35Å; S125-I127 PolarHBondContact O-N 2.84Å; S125-I127 VanDerWaalsContact O-N 3.13Å; I127-F130 HydrophobicContact CD1-CD1 4.19Å; I127-V131 HydrophobicContact CD1-CG2 4.21Å; I127-V131 HydrophobicContact CG1-CG2 4.39Å; I127-V131 WeakPolarHBondContact O-CB 3.21Å; I127-V131 VanDerWaalsContact O-CG2 3.27Å; I127-V131 WeakPolarHBondContact O-CG2 3.26Å; I127-V131 PolarHBondContact O-N 2.95Å; I127-K144 HydrophobicContact CG1-CB 4.28Å; I127-K144 HydrophobicContact CG2-CD 4.38Å
128	E	92	Very high	90.1	Very high	132 Å²	132	43.7 Å²	43.7	62%	0.617	23%	0.234	S	C	*	.	H	α-helix	trans	-70.6	-46.9	-180	-67.2	-173.6	171	0	0	111.3	N126 F130 V131 N132	N126-E128 PolarHBondContact O-N 2.86Å; N126-E128 PolarHBondContact OD1-N 3.39Å; E128-F130 VanDerWaalsContact C-N 3.28Å; E128-F130 PolarHBondContact O-N 2.9Å; E128-V131 PolarHBondContact O-N 2.75Å; E128-N132 WeakPolarHBondContact O-CB 3.3Å; E128-N132 VanDerWaalsContact O-CG 3.22Å; E128-N132 PolarHBondContact O-N 3.24Å; E128-N132 PolarHBondContact O-ND2 3.48Å
129	S	91.8	Very high	89.9	Confident	47 Å²	47	45.4 Å²	45.4	33%	0.329	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-39.3	175.9	-61.4	0	0	0	0	111.3	N126 N132 F133	N126-S129 PolarHBondContact ND2-OG 2.95Å; N126-S129 VanDerWaalsContact ND2-OG 3.15Å; N126-S129 PolarHBondContact O-N 2.95Å; N126-S129 WeakPolarHBondContact OD1-CB 3.23Å; N126-S129 PolarHBondContact OD1-N 3.35Å; N126-S129 PolarHBondContact OD1-OG 2.74Å; N126-S129 VanDerWaalsContact OD1-OG 3.05Å; S129-N132 PolarHBondContact O-N 2.95Å; S129-F133 WeakPolarHBondContact O-CB 3.32Å; S129-F133 PolarHBondContact O-N 2.88Å
130	F	93.7	Very high	89.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-46	177.2	179	-132	0	0	0	112.4	V36 V50 L51 L54 V94 M96 W121 V124 N126 I127 E128 N132 F133 I134	V36-F130 HydrophobicContact CG1-CE2 4.39Å; V36-F130 HydrophobicContact CG1-CZ 3.81Å; V50-F130 HydrophobicContact CG1-CD1 4.19Å; V50-F130 HydrophobicContact CG1-CE1 4.18Å; L51-F130 HydrophobicContact CD1-CE1 3.64Å; L51-F130 HydrophobicContact CD1-CZ 3.82Å; L51-F130 HydrophobicContact CG-CE1 4.44Å; L54-F130 HydrophobicContact CD1-CD1 4.13Å; L54-F130 HydrophobicContact CD1-CE1 3.78Å; V94-F130 HydrophobicContact CB-CZ 4.49Å; V94-F130 HydrophobicContact CG1-CE2 4.02Å; V94-F130 HydrophobicContact CG1-CZ 3.83Å; V94-F130 HydrophobicContact CG2-CZ 4.45Å; M96-F130 HydrophobicContact SD-CE2 3.86Å; W121-F130 HydrophobicContact CB-CE2 4.48Å; W121-F130 AromaticContact CD1-CD2 3.36Å; W121-F130 AromaticContact CD1-CE2 3.86Å; W121-F130 HydrophobicContact CD2-CD2 4.09Å; W121-F130 AromaticContact CE2-CD2 3.88Å; W121-F130 AromaticContact CG-CD2 3.79Å; W121-F130 HydrophobicContact CG-CD2 3.79Å; W121-F130 HydrophobicContact CG-CE2 4.14Å; W121-F130 HydrophobicContact CZ2-CB 4.31Å; W121-F130 AromaticContact NE1-CD2 3.4Å; W121-F130 AromaticContact NE1-CG 3.82Å; V124-F130 HydrophobicContact CG1-CD1 4.33Å; V124-F130 HydrophobicContact CG1-CE1 4.29Å; V124-F130 HydrophobicContact CG1-CZ 4.47Å; N126-F130 PolarHBondContact O-N 2.83Å; I127-F130 HydrophobicContact CD1-CD1 4.19Å; E128-F130 VanDerWaalsContact C-N 3.28Å; E128-F130 PolarHBondContact O-N 2.9Å; F130-N132 VanDerWaalsContact C-N 3.34Å; F130-N132 PolarHBondContact O-N 2.87Å; F130-F133 WeakPolarHBondContact O-CB 2.96Å; F130-F133 PolarHBondContact O-N 2.82Å; F130-F133 VanDerWaalsContact O-N 3.16Å; F130-I134 HydrophobicContact CD1-CD1 4.27Å; F130-I134 HydrophobicContact CD2-CD1 4.44Å; F130-I134 HydrophobicContact CD2-CG1 4.42Å; F130-I134 HydrophobicContact CE1-CD1 3.83Å; F130-I134 HydrophobicContact CE2-CD1 4.02Å; F130-I134 HydrophobicContact CE2-CG1 4.04Å; F130-I134 HydrophobicContact CZ-CD1 3.68Å; F130-I134 HydrophobicContact CZ-CG1 4.18Å; F130-I134 WeakPolarHBondContact O-CG1 3.08Å; F130-I134 PolarHBondContact O-N 2.78Å
131	V	95.2	Very high	90.1	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-40.6	175.1	165.9	0	0	0	0	111.6	L54 W58 I127 E128 F133 I134 N135 Y142 K144	L54-V131 HydrophobicContact CD1-CG2 4.35Å; L54-V131 HydrophobicContact CD2-CG2 3.9Å; W58-V131 HydrophobicContact CH2-CG1 4.26Å; W58-V131 HydrophobicContact CZ2-CG1 3.88Å; W58-V131 HydrophobicContact CZ2-CG2 4.47Å; I127-V131 HydrophobicContact CD1-CG2 4.21Å; I127-V131 HydrophobicContact CG1-CG2 4.39Å; I127-V131 WeakPolarHBondContact O-CB 3.21Å; I127-V131 VanDerWaalsContact O-CG2 3.27Å; I127-V131 WeakPolarHBondContact O-CG2 3.26Å; I127-V131 PolarHBondContact O-N 2.95Å; E128-V131 PolarHBondContact O-N 2.75Å; V131-F133 VanDerWaalsContact C-N 3.28Å; V131-F133 PolarHBondContact O-N 2.8Å; V131-I134 PolarHBondContact O-N 3.44Å; V131-N135 WeakPolarHBondContact O-CB 3.19Å; V131-N135 PolarHBondContact O-N 2.81Å; V131-N135 PolarHBondContact O-ND2 2.89Å; V131-Y142 WeakPolarHBondContact CG1-O 3.17Å; V131-K144 HydrophobicContact CG2-CB 4.35Å
132	N	92	Very high	90.4	Very high	98 Å²	98	46.4 Å²	46.4	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-38.1	174.5	-72.5	-18.2	0	0	0	111.9	E128 S129 F130 N135 M136	E128-N132 WeakPolarHBondContact O-CB 3.3Å; E128-N132 VanDerWaalsContact O-CG 3.22Å; E128-N132 PolarHBondContact O-N 3.24Å; E128-N132 PolarHBondContact O-ND2 3.48Å; S129-N132 PolarHBondContact O-N 2.95Å; F130-N132 VanDerWaalsContact C-N 3.34Å; F130-N132 PolarHBondContact O-N 2.87Å; N132-N135 PolarHBondContact O-N 3.22Å; N132-M136 WeakPolarHBondContact O-CB 3.39Å; N132-M136 PolarHBondContact O-N 3.21Å
133	F	90.9	Very high	90.9	Very high	26 Å²	26	44.8 Å²	44.8	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-45.5	173.9	-171.7	-93.1	0	0	0	111.9	M96 W121 S129 F130 V131 N135 M136 M137	M96-F133 HydrophobicContact CB-CE1 4.16Å; M96-F133 HydrophobicContact CE-CD1 3.51Å; M96-F133 HydrophobicContact CE-CE1 3.14Å; M96-F133 HydrophobicContact CE-CZ 4.18Å; M96-F133 HydrophobicContact CG-CD1 4.01Å; M96-F133 HydrophobicContact CG-CE1 3.87Å; M96-F133 HydrophobicContact SD-CD1 4.19Å; M96-F133 HydrophobicContact SD-CE1 4.19Å; W121-F133 HydrophobicContact CD2-CB 4.45Å; W121-F133 HydrophobicContact CD2-CD1 4.36Å; W121-F133 HydrophobicContact CD2-CG 4.27Å; W121-F133 HydrophobicContact CE3-CB 3.87Å; W121-F133 AromaticContact CE3-CD1 3.72Å; W121-F133 HydrophobicContact CE3-CD1 3.72Å; W121-F133 AromaticContact CE3-CD2 3.6Å; W121-F133 HydrophobicContact CE3-CD2 3.6Å; W121-F133 HydrophobicContact CE3-CE1 4.18Å; W121-F133 HydrophobicContact CE3-CE2 4.03Å; W121-F133 AromaticContact CE3-CG 3.41Å; W121-F133 HydrophobicContact CE3-CG 3.41Å; W121-F133 VanDerWaalsContact CE3-CG 3.41Å; W121-F133 HydrophobicContact CE3-CZ 4.3Å; W121-F133 HydrophobicContact CH2-CB 3.89Å; W121-F133 HydrophobicContact CH2-CD2 4.3Å; W121-F133 HydrophobicContact CH2-CG 4.22Å; W121-F133 HydrophobicContact CZ2-CB 4.45Å; W121-F133 HydrophobicContact CZ3-CB 3.57Å; W121-F133 HydrophobicContact CZ3-CD1 4.19Å; W121-F133 AromaticContact CZ3-CD2 3.29Å; W121-F133 HydrophobicContact CZ3-CD2 3.29Å; W121-F133 HydrophobicContact CZ3-CE2 4Å; W121-F133 AromaticContact CZ3-CG 3.39Å; W121-F133 HydrophobicContact CZ3-CG 3.39Å; S129-F133 WeakPolarHBondContact O-CB 3.32Å; S129-F133 PolarHBondContact O-N 2.88Å; F130-F133 WeakPolarHBondContact O-CB 2.96Å; F130-F133 PolarHBondContact O-N 2.82Å; F130-F133 VanDerWaalsContact O-N 3.16Å; V131-F133 VanDerWaalsContact C-N 3.28Å; V131-F133 PolarHBondContact O-N 2.8Å; F133-N135 VanDerWaalsContact C-N 3.34Å; F133-N135 PolarHBondContact O-N 2.88Å; F133-M136 HydrophobicContact CD2-CE 3.61Å; F133-M136 HydrophobicContact CE2-CE 3.58Å; F133-M136 HydrophobicContact CZ-CE 4.44Å; F133-M136 PolarHBondContact O-N 2.83Å; F133-M137 HydrophobicContact CD1-CG 3.79Å; F133-M137 HydrophobicContact CE1-CG 3.29Å; F133-M137 HydrophobicContact CE1-SD 3.97Å; F133-M137 HydrophobicContact CE2-CG 4.28Å; F133-M137 HydrophobicContact CE2-SD 4.15Å; F133-M137 HydrophobicContact CG-CG 4.44Å; F133-M137 HydrophobicContact CZ-CG 3.61Å; F133-M137 HydrophobicContact CZ-SD 3.63Å; F133-M137 VanDerWaalsContact O-CG 3.29Å; F133-M137 WeakPolarHBondContact O-CG 3.44Å; F133-M137 PolarHBondContact O-N 3.25Å
134	I	93.7	Very high	91.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-50.5	174.3	-64.7	167.6	0	0	0	110.2	V36 L54 W58 V64 F66 F130 V131 M136 M137 C138	V36-I134 HydrophobicContact CG1-CD1 4.1Å; V36-I134 HydrophobicContact CG1-CG1 4.25Å; V36-I134 HydrophobicContact CG2-CD1 4.17Å; V36-I134 HydrophobicContact CG2-CG1 4.1Å; V36-I134 HydrophobicContact CG2-CG2 3.94Å; L54-I134 HydrophobicContact CD1-CD1 4.16Å; W58-I134 HydrophobicContact CH2-CB 4.48Å; W58-I134 HydrophobicContact CH2-CG2 3.94Å; W58-I134 HydrophobicContact CZ3-CG2 3.67Å; V64-I134 HydrophobicContact CG1-CG2 4.04Å; F66-I134 HydrophobicContact CE1-CD1 4.28Å; F130-I134 HydrophobicContact CD1-CD1 4.27Å; F130-I134 HydrophobicContact CD2-CD1 4.44Å; F130-I134 HydrophobicContact CD2-CG1 4.42Å; F130-I134 HydrophobicContact CE1-CD1 3.83Å; F130-I134 HydrophobicContact CE2-CD1 4.02Å; F130-I134 HydrophobicContact CE2-CG1 4.04Å; F130-I134 HydrophobicContact CZ-CD1 3.68Å; F130-I134 HydrophobicContact CZ-CG1 4.18Å; F130-I134 WeakPolarHBondContact O-CG1 3.08Å; F130-I134 PolarHBondContact O-N 2.78Å; V131-I134 PolarHBondContact O-N 3.44Å; I134-M136 VanDerWaalsContact C-N 3.33Å; I134-M136 PolarHBondContact O-N 2.64Å; I134-M137 PolarHBondContact O-N 2.75Å; I134-M137 VanDerWaalsContact O-N 3.15Å; I134-C138 VanDerWaalsContact O-CB 3.27Å; I134-C138 WeakPolarHBondContact O-CB 3.47Å; I134-C138 PolarHBondContact O-N 2.77Å; I134-C138 PolarHBondContact O-SG 2.77Å
135	N	92.5	Very high	91.9	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-54	-47.8	178.4	-79.7	-23	0	0	0	112.1	V131 N132 F133 G139 T140 F141 Y142	V131-N135 WeakPolarHBondContact O-CB 3.19Å; V131-N135 PolarHBondContact O-N 2.81Å; V131-N135 PolarHBondContact O-ND2 2.89Å; N132-N135 PolarHBondContact O-N 3.22Å; F133-N135 VanDerWaalsContact C-N 3.34Å; F133-N135 PolarHBondContact O-N 2.88Å; N135-G139 WeakPolarHBondContact O-CA 3.39Å; N135-G139 PolarHBondContact O-N 3.35Å; N135-T140 CarbonylContact C-O 3.59Å; N135-T140 WeakPolarHBondContact CA-O 3.33Å; N135-T140 WeakPolarHBondContact CB-O 3.35Å; N135-T140 PolarHBondContact O-N 3.08Å; N135-T140 PolarHBondContact OD1-O 3.4Å; N135-T140 PolarHBondContact OD1-OG1 3.32Å; N135-F141 PolarHBondContact OD1-N 2.9Å; N135-Y142 PolarHBondContact ND2-N 2.94Å; N135-Y142 PolarHBondContact ND2-O 3.39Å; N135-Y142 PolarHBondContact OD1-N 2Å
136	M	88.6	Confident	92.4	Very high	88 Å²	88	45.3 Å²	45.3	43%	0.433	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-45.4	176.7	-177	-173.9	68.7	0	0	112.3	N132 F133 I134 P522	N132-M136 WeakPolarHBondContact O-CB 3.39Å; N132-M136 PolarHBondContact O-N 3.21Å; F133-M136 HydrophobicContact CD2-CE 3.61Å; F133-M136 HydrophobicContact CE2-CE 3.58Å; F133-M136 HydrophobicContact CZ-CE 4.44Å; F133-M136 PolarHBondContact O-N 2.83Å; I134-M136 VanDerWaalsContact C-N 3.33Å; I134-M136 PolarHBondContact O-N 2.64Å; M136-P522 HydrophobicContact CE-CB 3.74Å; M136-P522 HydrophobicContact CE-CG 4.45Å; M136-P522 HydrophobicContact SD-CB 4.33Å
137	M	87.9	Confident	92.7	Very high	18 Å²	18	47.9 Å²	47.9	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-71.7	-32.1	-177.6	-67.4	-49.5	-53.6	0	0	113.6	M96 P98 Y119 F133 I134 P522	M96-M137 HydrophobicContact CB-CB 4.45Å; M96-M137 HydrophobicContact CB-CG 4.26Å; M96-M137 HydrophobicContact CG-CG 4.48Å; P98-M137 HydrophobicContact CG-CE 3.43Å; P98-M137 VanDerWaalsContact CG-CE 3.43Å; Y119-M137 HydrophobicContact CD1-CE 3.83Å; Y119-M137 HydrophobicContact CD1-SD 4.42Å; Y119-M137 HydrophobicContact CD2-CE 3.28Å; Y119-M137 HydrophobicContact CE1-CE 3.96Å; Y119-M137 HydrophobicContact CE2-CE 3.4Å; Y119-M137 HydrophobicContact CG-CE 3.51Å; Y119-M137 HydrophobicContact CG-SD 4.31Å; F133-M137 HydrophobicContact CD1-CG 3.79Å; F133-M137 HydrophobicContact CE1-CG 3.29Å; F133-M137 HydrophobicContact CE1-SD 3.97Å; F133-M137 HydrophobicContact CE2-CG 4.28Å; F133-M137 HydrophobicContact CE2-SD 4.15Å; F133-M137 HydrophobicContact CG-CG 4.44Å; F133-M137 HydrophobicContact CZ-CG 3.61Å; F133-M137 HydrophobicContact CZ-SD 3.63Å; F133-M137 VanDerWaalsContact O-CG 3.29Å; F133-M137 WeakPolarHBondContact O-CG 3.44Å; F133-M137 PolarHBondContact O-N 3.25Å; I134-M137 PolarHBondContact O-N 2.75Å; I134-M137 VanDerWaalsContact O-N 3.15Å; M137-P522 HydrophobicContact CE-CG 4.07Å; M137-P522 HydrophobicContact SD-CB 4.45Å; M137-P522 HydrophobicContact SD-CG 3.68Å
138	C	90.2	Very high	92.8	Very high	24 Å²	24	48.7 Å²	48.7	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-98.6	-6.3	-174.6	-55	0	0	0	0	112.9	C34 V64 I134 T140	C34-C138 HydrophobicContact CB-CB 3.39Å; C34-C138 WeakPolarHBondContact CB-SG 3.47Å; C34-C138 VanDerWaalsContact SG-CA 3.51Å; C34-C138 WeakPolarHBondContact SG-CB 3.44Å; C34-C138 CovalentContact SG-SG 2.04Å; C34-C138 PolarHBondContact SG-SG 2.68Å; V64-C138 HydrophobicContact CG2-CB 3.87Å; I134-C138 VanDerWaalsContact O-CB 3.27Å; I134-C138 WeakPolarHBondContact O-CB 3.47Å; I134-C138 PolarHBondContact O-N 2.77Å; I134-C138 PolarHBondContact O-SG 2.77Å; C138-T140 VanDerWaalsContact C-N 3.34Å; C138-T140 HydrophobicContact CB-CG2 4.11Å
139	G	86.2	Confident	93	Very high	36 Å²	36	43.9 Å²	43.9	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	38.5	-173.9	0	0	0	0	0	112.9	N135 L519	N135-G139 WeakPolarHBondContact O-CA 3.39Å; N135-G139 PolarHBondContact O-N 3.35Å; G139-L519 VanDerWaalsContact CA-CD1 3.43Å
140	T	90.5	Very high	93	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	25%	0.253	C	S	.	.			trans	-122.1	171.7	-177.1	58.5	0	0	0	0	111.6	E63 V64 N135 C138 Y142	E63-T140 HydrophobicContact CB-CG2 3.95Å; V64-T140 HydrophobicContact CG2-CG2 3.89Å; N135-T140 CarbonylContact C-O 3.59Å; N135-T140 WeakPolarHBondContact CA-O 3.33Å; N135-T140 WeakPolarHBondContact CB-O 3.35Å; N135-T140 PolarHBondContact O-N 3.08Å; N135-T140 PolarHBondContact OD1-O 3.4Å; N135-T140 PolarHBondContact OD1-OG1 3.32Å; C138-T140 VanDerWaalsContact C-N 3.34Å; C138-T140 HydrophobicContact CB-CG2 4.11Å; T140-Y142 HydrophobicContact CG2-CD2 4.42Å; T140-Y142 HydrophobicContact CG2-CE2 3.97Å
141	F	93.7	Very high	92.7	Very high	51 Å²	51	51.2 Å²	51.2	22%	0.224	28%	0.28	C	S	.	.			trans	-144.6	61.7	-171.9	-62.8	-82.3	0	0	0	111.7	N135 I148 T149 D151 F155 L517	N135-F141 PolarHBondContact OD1-N 2.9Å; F141-I148 CarbonylContact O-C 3.56Å; F141-I148 VanDerWaalsContact O-CA 3.31Å; F141-I148 WeakPolarHBondContact O-CA 3.32Å; F141-T149 PolarHBondContact O-N 2.95Å; F141-T149 PolarHBondContact O-OG1 3.19Å; F141-D151 HydrophobicContact CD1-CB 4.16Å; F141-F155 HydrophobicContact CD2-CD1 4.28Å; F141-F155 HydrophobicContact CE2-CB 4.31Å; F141-F155 HydrophobicContact CE2-CD1 4.05Å; F141-F155 HydrophobicContact CE2-CG 4.05Å; F141-L517 HydrophobicContact CE2-CD1 3.9Å; F141-L517 HydrophobicContact CZ-CD1 3.48Å; F141-L517 VanDerWaalsContact CZ-CD1 3.48Å
142	Y	96.1	Very high	92.4	Very high	46 Å²	46	51 Å²	51	18%	0.18	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-115.8	147.5	-177	-58.1	-75.7	0	0	0	112.4	W58 I61 V131 N135 T140 Q147	W58-Y142 HydrophobicContact CZ3-CD2 4.48Å; I61-Y142 HydrophobicContact CB-CE2 4.41Å; I61-Y142 HydrophobicContact CD1-CD1 3.53Å; I61-Y142 HydrophobicContact CD1-CD2 3.58Å; I61-Y142 HydrophobicContact CD1-CE1 3.8Å; I61-Y142 HydrophobicContact CD1-CE2 3.84Å; I61-Y142 HydrophobicContact CD1-CG 3.41Å; I61-Y142 VanDerWaalsContact CD1-CG 3.41Å; I61-Y142 HydrophobicContact CG1-CD1 4.2Å; I61-Y142 HydrophobicContact CG1-CD2 4.28Å; I61-Y142 HydrophobicContact CG1-CE1 3.94Å; I61-Y142 HydrophobicContact CG1-CE2 4.02Å; I61-Y142 HydrophobicContact CG1-CG 4.36Å; I61-Y142 HydrophobicContact CG2-CD2 4.05Å; I61-Y142 HydrophobicContact CG2-CE2 3.48Å; I61-Y142 VanDerWaalsContact CG2-CE2 3.48Å; V131-Y142 WeakPolarHBondContact CG1-O 3.17Å; N135-Y142 PolarHBondContact ND2-N 2.94Å; N135-Y142 PolarHBondContact ND2-O 3.39Å; N135-Y142 PolarHBondContact OD1-N 2Å; T140-Y142 HydrophobicContact CG2-CD2 4.42Å; T140-Y142 HydrophobicContact CG2-CE2 3.97Å; Y142-Q147 CarbonylContact C-O 3.59Å; Y142-Q147 WeakPolarHBondContact CA-O 3.34Å
143	N	96.3	Very high	92.5	Very high	53 Å²	53	51.8 Å²	51.8	28%	0.283	28%	0.278	S	S	.	.			trans	-84.7	175.3	168.8	71.1	15.1	0	0	0	111	W58 S145 G146 Q147 T149	W58-N143 PolarHBondContact NE1-O 2.95Å; N143-S145 PolarHBondContact O-N 3.27Å; N143-S145 WeakPolarHBondContact OD1-CA 3.45Å; N143-S145 WeakPolarHBondContact OD1-CB 3.26Å; N143-S145 PolarHBondContact OD1-N 3.47Å; N143-G146 PolarHBondContact O-N 3.37Å; N143-G146 PolarHBondContact OD1-N 2.74Å; N143-Q147 PolarHBondContact N-O 3.06Å; N143-Q147 PolarHBondContact ND2-OE1 3.09Å; N143-Q147 PolarHBondContact OD1-N 2.8Å; N143-Q147 PolarHBondContact OD1-O 2.61Å; N143-T149 HydrophobicContact CB-CG2 4.35Å
144	K	95.5	Very high	92.3	Very high	116 Å²	116	53.9 Å²	53.9	50%	0.504	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.1	178	69.8	-177.4	178.3	-170.4	0	115.5	L54 S57 I127 V131	L54-K144 HydrophobicContact CD2-CB 4.32Å; S57-K144 PolarHBondContact OG-O 2.96Å; S57-K144 VanDerWaalsContact OG-O 3.11Å; I127-K144 HydrophobicContact CG1-CB 4.28Å; I127-K144 HydrophobicContact CG2-CD 4.38Å; V131-K144 HydrophobicContact CG2-CB 4.35Å
145	S	96	Very high	91.9	Very high	69 Å²	69	56.1 Å²	56.1	48%	0.483	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	6.2	177.1	-57.4	0	0	0	0	112.8	N143 Q147	N143-S145 PolarHBondContact O-N 3.27Å; N143-S145 WeakPolarHBondContact OD1-CA 3.45Å; N143-S145 WeakPolarHBondContact OD1-CB 3.26Å; N143-S145 PolarHBondContact OD1-N 3.47Å; S145-Q147 VanDerWaalsContact C-N 3.27Å; S145-Q147 PolarHBondContact O-N 3.36Å
146	G	95.8	Very high	91.7	Very high	3 Å²	3	57.6 Å²	57.6	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	76	12.2	180	0	0	0	0	0	114.2	H60 N143	H60-G146 PolarHBondContact CE1-O 2.83Å; H60-G146 PolarHBondContact NE2-O 2.04Å; N143-G146 PolarHBondContact O-N 3.37Å; N143-G146 PolarHBondContact OD1-N 2.74Å
147	Q	96.4	Very high	91.8	Very high	127 Å²	127	60.7 Å²	60.7	59%	0.593	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-90.3	141.5	176.3	-59.5	175.5	-32	0	0	110	Y142 N143 S145 T149	Y142-Q147 CarbonylContact C-O 3.59Å; Y142-Q147 WeakPolarHBondContact CA-O 3.34Å; N143-Q147 PolarHBondContact N-O 3.06Å; N143-Q147 PolarHBondContact ND2-OE1 3.09Å; N143-Q147 PolarHBondContact OD1-N 2.8Å; N143-Q147 PolarHBondContact OD1-O 2.61Å; S145-Q147 VanDerWaalsContact C-N 3.27Å; S145-Q147 PolarHBondContact O-N 3.36Å; Q147-T149 PolarHBondContact O-N 2.74Å
148	I	94.7	Very high	91.8	Very high	63 Å²	63	61.2 Å²	61.2	32%	0.323	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-60.9	130	176.3	-168.1	169	0	0	0	110.7	F141 G152 K153	F141-I148 CarbonylContact O-C 3.56Å; F141-I148 VanDerWaalsContact O-CA 3.31Å; F141-I148 WeakPolarHBondContact O-CA 3.32Å; I148-G152 VanDerWaalsContact CD1-C 3.47Å; I148-K153 HydrophobicContact CG1-CG 4.35Å; I148-K153 HydrophobicContact CG2-CD 4.36Å; I148-K153 HydrophobicContact CG2-CG 3.73Å
149	T	95.4	Very high	91.8	Very high	30 Å²	30	63.8 Å²	63.8	18%	0.184	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-70	169.6	179.5	65.5	0	0	0	0	111.2	F141 N143 Q147 D151 G152 K153	F141-T149 PolarHBondContact O-N 2.95Å; F141-T149 PolarHBondContact O-OG1 3.19Å; N143-T149 HydrophobicContact CB-CG2 4.35Å; Q147-T149 PolarHBondContact O-N 2.74Å; T149-D151 PolarHBondContact O-N 2.6Å; T149-G152 PolarHBondContact O-N 2.84Å; T149-G152 PolarHBondContact OG1-N 3.35Å; T149-G152 VanDerWaalsContact OG1-N 3.11Å; T149-K153 WeakPolarHBondContact O-CG 3.24Å; T149-K153 PolarHBondContact O-N 3.15Å
150	S	92	Very high	92	Very high	94 Å²	94	68 Å²	68	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-57.4	-40	172.1	-60.2	0	0	0	0	111.9	K153 L154	S150-K153 PolarHBondContact O-N 3.19Å; S150-L154 WeakPolarHBondContact O-CB 3.15Å; S150-L154 PolarHBondContact O-N 2.92Å
151	D	87.1	Confident	92	Very high	108 Å²	108	70.6 Å²	70.6	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-41.4	176.5	-58	-25.6	0	0	0	111.4	F141 T149 K153 L154 F155	F141-D151 HydrophobicContact CD1-CB 4.16Å; T149-D151 PolarHBondContact O-N 2.6Å; D151-K153 PolarHBondContact O-N 2.9Å; D151-L154 WeakPolarHBondContact O-CB 3.44Å; D151-L154 PolarHBondContact O-N 3.25Å; D151-F155 WeakPolarHBondContact O-CB 3.4Å; D151-F155 PolarHBondContact O-N 3.08Å
152	G	89.8	Confident	92	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-41.1	173.7	0	0	0	0	0	112.9	I148 T149 L154 F155 S156	I148-G152 VanDerWaalsContact CD1-C 3.47Å; T149-G152 PolarHBondContact O-N 2.84Å; T149-G152 PolarHBondContact OG1-N 3.35Å; T149-G152 VanDerWaalsContact OG1-N 3.11Å; G152-L154 VanDerWaalsContact C-N 3.31Å; G152-L154 PolarHBondContact O-N 3.05Å; G152-F155 WeakPolarHBondContact O-CB 3.38Å; G152-F155 PolarHBondContact O-N 3.39Å; G152-S156 WeakPolarHBondContact O-CB 3.25Å; G152-S156 PolarHBondContact O-N 3.4Å; G152-S156 PolarHBondContact O-OG 2.87Å; G152-S156 VanDerWaalsContact O-OG 3.11Å
153	K	92.3	Very high	92	Very high	114 Å²	114	69.5 Å²	69.5	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-35.3	174.3	-67.9	174.3	-173.8	177.4	0	111.9	I148 T149 S150 D151 R157	I148-K153 HydrophobicContact CG1-CG 4.35Å; I148-K153 HydrophobicContact CG2-CD 4.36Å; I148-K153 HydrophobicContact CG2-CG 3.73Å; T149-K153 WeakPolarHBondContact O-CG 3.24Å; T149-K153 PolarHBondContact O-N 3.15Å; S150-K153 PolarHBondContact O-N 3.19Å; D151-K153 PolarHBondContact O-N 2.9Å; K153-R157 WeakPolarHBondContact O-CB 3.18Å; K153-R157 VanDerWaalsContact O-CG 3.25Å; K153-R157 WeakPolarHBondContact O-CG 3.3Å; K153-R157 PolarHBondContact O-N 3.18Å; K153-R157 VanDerWaalsContact O-N 3.09Å; K153-R157 PolarHBondContact O-NE 3.22Å; K153-R157 VanDerWaalsContact O-NE 3.14Å
154	L	87	Confident	91.9	Very high	69 Å²	69	73.1 Å²	73.1	36%	0.361	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-49.2	174.4	-175.4	65.9	0	0	0	110	S150 D151 G152 S156 R157 H158	S150-L154 WeakPolarHBondContact O-CB 3.15Å; S150-L154 PolarHBondContact O-N 2.92Å; D151-L154 WeakPolarHBondContact O-CB 3.44Å; D151-L154 PolarHBondContact O-N 3.25Å; G152-L154 VanDerWaalsContact C-N 3.31Å; G152-L154 PolarHBondContact O-N 3.05Å; L154-S156 PolarHBondContact O-N 2.91Å; L154-R157 WeakPolarHBondContact O-CB 3.36Å; L154-R157 PolarHBondContact O-N 3.02Å; L154-R157 VanDerWaalsContact O-N 3.16Å; L154-H158 WeakPolarHBondContact CD1-NE2 3.27Å; L154-H158 WeakPolarHBondContact CG-NE2 3.44Å; L154-H158 PolarHBondContact O-CD2 3.09Å; L154-H158 PolarHBondContact O-N 3.08Å
155	F	85.7	Confident	91.8	Very high	48 Å²	48	68.1 Å²	68.1	21%	0.211	35%	0.346	C	S	.	.	H	α-helix	trans	-53.8	-54	174.2	172	-106.9	0	0	0	112.4	F141 D151 G152 R157 H158 Y159 W504 L517	F141-F155 HydrophobicContact CD2-CD1 4.28Å; F141-F155 HydrophobicContact CE2-CB 4.31Å; F141-F155 HydrophobicContact CE2-CD1 4.05Å; F141-F155 HydrophobicContact CE2-CG 4.05Å; D151-F155 WeakPolarHBondContact O-CB 3.4Å; D151-F155 PolarHBondContact O-N 3.08Å; G152-F155 WeakPolarHBondContact O-CB 3.38Å; G152-F155 PolarHBondContact O-N 3.39Å; F155-R157 VanDerWaalsContact C-N 3.26Å; F155-R157 PolarHBondContact O-N 2.88Å; F155-H158 PolarHBondContact O-N 3.13Å; F155-H158 VanDerWaalsContact O-N 3.11Å; F155-Y159 HydrophobicContact CZ-CD2 4.4Å; F155-Y159 WeakPolarHBondContact O-CB 3.31Å; F155-Y159 PolarHBondContact O-N 2.9Å; F155-W504 HydrophobicContact CD2-CH2 4.03Å; F155-W504 HydrophobicContact CD2-CZ3 4.31Å; F155-W504 AromaticContact CE2-CH2 3.44Å; F155-W504 HydrophobicContact CE2-CH2 3.44Å; F155-W504 VanDerWaalsContact CE2-CH2 3.44Å; F155-W504 AromaticContact CE2-CZ3 3.32Å; F155-W504 HydrophobicContact CE2-CZ3 3.32Å; F155-W504 HydrophobicContact CZ-CH2 4.28Å; F155-W504 AromaticContact CZ-CZ3 3.92Å; F155-W504 HydrophobicContact CZ-CZ3 3.92Å; F155-L517 HydrophobicContact CD2-CD1 3.46Å; F155-L517 VanDerWaalsContact CD2-CD1 3.46Å; F155-L517 HydrophobicContact CD2-CD2 3.74Å; F155-L517 HydrophobicContact CD2-CG 3.57Å; F155-L517 HydrophobicContact CE2-CD1 3.65Å; F155-L517 HydrophobicContact CE2-CD2 3.59Å; F155-L517 HydrophobicContact CE2-CG 3.25Å; F155-L517 HydrophobicContact CG-CD1 4.17Å; F155-L517 HydrophobicContact CZ-CD1 4.47Å; F155-L517 HydrophobicContact CZ-CG 4.12Å
156	S	88.2	Confident	91.5	Very high	44 Å²	44	68.6 Å²	68.6	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-34.6	179.1	-61.2	0	0	0	0	112.5	G152 L154 N160	G152-S156 WeakPolarHBondContact O-CB 3.25Å; G152-S156 PolarHBondContact O-N 3.4Å; G152-S156 PolarHBondContact O-OG 2.87Å; G152-S156 VanDerWaalsContact O-OG 3.11Å; L154-S156 PolarHBondContact O-N 2.91Å; S156-N160 VanDerWaalsContact O-CB 3.27Å; S156-N160 WeakPolarHBondContact O-CB 3.21Å; S156-N160 PolarHBondContact O-N 2.8Å; S156-N160 PolarHBondContact O-ND2 2.7Å
157	R	90.3	Very high	91.3	Very high	152 Å²	152	73.7 Å²	73.7	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-48.8	173.1	-81	-179.4	-68.4	143.8	-7.1	111	K153 L154 F155 N160 S161	K153-R157 WeakPolarHBondContact O-CB 3.18Å; K153-R157 VanDerWaalsContact O-CG 3.25Å; K153-R157 WeakPolarHBondContact O-CG 3.3Å; K153-R157 PolarHBondContact O-N 3.18Å; K153-R157 VanDerWaalsContact O-N 3.09Å; K153-R157 PolarHBondContact O-NE 3.22Å; K153-R157 VanDerWaalsContact O-NE 3.14Å; L154-R157 WeakPolarHBondContact O-CB 3.36Å; L154-R157 PolarHBondContact O-N 3.02Å; L154-R157 VanDerWaalsContact O-N 3.16Å; F155-R157 VanDerWaalsContact C-N 3.26Å; F155-R157 PolarHBondContact O-N 2.88Å; R157-N160 PolarHBondContact O-N 3.29Å; R157-S161 WeakPolarHBondContact O-CB 3.41Å; R157-S161 PolarHBondContact O-N 2.76Å; R157-S161 PolarHBondContact O-OG 2.88Å; R157-S161 VanDerWaalsContact O-OG 3.12Å
158	H	89	Confident	91.2	Very high	29 Å²	29	69.2 Å²	69.2	13%	0.134	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-45.7	179.1	-68.7	-56.4	0	0	0	112.5	L154 F155 N160 S161 L162 L230 W504	L154-H158 WeakPolarHBondContact CD1-NE2 3.27Å; L154-H158 WeakPolarHBondContact CG-NE2 3.44Å; L154-H158 PolarHBondContact O-CD2 3.09Å; L154-H158 PolarHBondContact O-N 3.08Å; F155-H158 PolarHBondContact O-N 3.13Å; F155-H158 VanDerWaalsContact O-N 3.11Å; H158-N160 VanDerWaalsContact C-N 3.33Å; H158-N160 PolarHBondContact O-N 3.39Å; H158-S161 VanDerWaalsContact CA-OG 3.27Å; H158-S161 WeakPolarHBondContact CA-OG 3.28Å; H158-S161 CarbonylContact O-C 3.55Å; H158-S161 WeakPolarHBondContact O-CA 3.24Å; H158-S161 PolarHBondContact O-N 3.27Å; H158-S161 PolarHBondContact O-OG 3.11Å; H158-L162 PolarHBondContact O-N 2.99Å; H158-L162 VanDerWaalsContact O-N 3.1Å; H158-L230 HydrophobicContact CB-CB 4.4Å; H158-L230 VanDerWaalsContact CE1-CD1 3.45Å; H158-L230 WeakPolarHBondContact CE1-CD1 3.45Å; H158-W504 HydrophobicContact CB-CZ2 4.31Å
159	Y	90	Very high	91.2	Very high	79 Å²	79	66.7 Å²	66.7	31%	0.31	35%	0.351	S	S	.	.	H	α-helix	trans	-57.7	-44.3	175.6	-176	-93.8	0	0	0	112.1	F155 S161 L162 W504 F515	F155-Y159 HydrophobicContact CZ-CD2 4.4Å; F155-Y159 WeakPolarHBondContact O-CB 3.31Å; F155-Y159 PolarHBondContact O-N 2.9Å; Y159-S161 PolarHBondContact O-N 2.97Å; Y159-L162 HydrophobicContact CD2-CD1 3.92Å; Y159-L162 HydrophobicContact CE2-CD1 4.09Å; Y159-L162 HydrophobicContact CG-CD1 4.46Å; Y159-L162 WeakPolarHBondContact O-CB 3.41Å; Y159-L162 WeakPolarHBondContact O-CD1 3.32Å; Y159-L162 VanDerWaalsContact O-CG 3.23Å; Y159-L162 WeakPolarHBondContact O-CG 3.44Å; Y159-L162 PolarHBondContact O-N 3.03Å; Y159-W504 HydrophobicContact CD2-CH2 4.16Å; Y159-W504 AromaticContact CD2-CZ3 3.84Å; Y159-W504 HydrophobicContact CD2-CZ3 3.84Å; Y159-F515 HydrophobicContact CE2-CB 4.05Å; Y159-F515 VanDerWaalsContact CE2-O 3.26Å; Y159-F515 WeakPolarHBondContact CE2-O 3.47Å
160	N	90.5	Very high	91.1	Very high	123 Å²	123	65.5 Å²	65.5	66%	0.658	34%	0.344	S	S	*	.	H	α-helix	trans	-72.6	-17.6	177.7	-70.5	-32.7	0	0	0	113.3	S156 R157 H158	S156-N160 VanDerWaalsContact O-CB 3.27Å; S156-N160 WeakPolarHBondContact O-CB 3.21Å; S156-N160 PolarHBondContact O-N 2.8Å; S156-N160 PolarHBondContact O-ND2 2.7Å; R157-N160 PolarHBondContact O-N 3.29Å; H158-N160 VanDerWaalsContact C-N 3.33Å; H158-N160 PolarHBondContact O-N 3.39Å
161	S	90.5	Very high	91.3	Very high	64 Å²	64	61 Å²	61	45%	0.448	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	8.8	175.3	67.8	0	0	0	0	113.9	R157 H158 Y159 Y163	R157-S161 WeakPolarHBondContact O-CB 3.41Å; R157-S161 PolarHBondContact O-N 2.76Å; R157-S161 PolarHBondContact O-OG 2.88Å; R157-S161 VanDerWaalsContact O-OG 3.12Å; H158-S161 VanDerWaalsContact CA-OG 3.27Å; H158-S161 WeakPolarHBondContact CA-OG 3.28Å; H158-S161 CarbonylContact O-C 3.55Å; H158-S161 WeakPolarHBondContact O-CA 3.24Å; H158-S161 PolarHBondContact O-N 3.27Å; H158-S161 PolarHBondContact O-OG 3.11Å; Y159-S161 PolarHBondContact O-N 2.97Å; S161-Y163 PolarHBondContact O-N 3.24Å
162	L	94.1	Very high	91.7	Very high	8 Å²	8	58 Å²	58	4%	0.042	30%	0.297	C	S	.	.			trans	-52.3	131.2	172.6	-74.1	173.7	0	0	0	109.4	H158 Y159 K164 S231 W504 F515	H158-L162 PolarHBondContact O-N 2.99Å; H158-L162 VanDerWaalsContact O-N 3.1Å; Y159-L162 HydrophobicContact CD2-CD1 3.92Å; Y159-L162 HydrophobicContact CE2-CD1 4.09Å; Y159-L162 HydrophobicContact CG-CD1 4.46Å; Y159-L162 WeakPolarHBondContact O-CB 3.41Å; Y159-L162 WeakPolarHBondContact O-CD1 3.32Å; Y159-L162 VanDerWaalsContact O-CG 3.23Å; Y159-L162 WeakPolarHBondContact O-CG 3.44Å; Y159-L162 PolarHBondContact O-N 3.03Å; L162-K164 PolarHBondContact O-N 2.92Å; L162-S231 WeakPolarHBondContact CA-O 3.45Å; L162-W504 HydrophobicContact CD2-CD2 4.34Å; L162-W504 HydrophobicContact CD2-CZ2 4Å; L162-F515 HydrophobicContact CD1-CB 4.4Å; L162-F515 HydrophobicContact CD1-CD2 4.34Å
163	Y	95.3	Very high	91.9	Very high	67 Å²	67	60.9 Å²	60.9	26%	0.263	31%	0.314	S	S	.	.			trans	-60.8	128.6	-177.5	177	-105.3	0	0	0	110	S161 L165 S231 K233 Q405 W478	S161-Y163 PolarHBondContact O-N 3.24Å; Y163-L165 HydrophobicContact CE1-CD1 4.47Å; Y163-S231 PolarHBondContact N-O 3.12Å; Y163-K233 HydrophobicContact CD1-CG 4.11Å; Y163-K233 HydrophobicContact CD2-CD 3.97Å; Y163-K233 HydrophobicContact CD2-CG 3.91Å; Y163-K233 HydrophobicContact CE2-CD 4.39Å; Y163-K233 HydrophobicContact CE2-CG 4.39Å; Y163-K233 HydrophobicContact CG-CB 4.14Å; Y163-K233 HydrophobicContact CG-CD 4.3Å; Y163-K233 HydrophobicContact CG-CG 3.75Å; Y163-Q405 PolarHBondContact O-NE2 3.4Å; Y163-W478 AromaticContact CD1-CH2 3.6Å; Y163-W478 HydrophobicContact CD1-CH2 3.6Å; Y163-W478 AromaticContact CD1-CZ2 3.74Å; Y163-W478 HydrophobicContact CD1-CZ2 3.74Å; Y163-W478 AromaticContact CE1-CH2 3.78Å; Y163-W478 HydrophobicContact CE1-CH2 3.78Å; Y163-W478 HydrophobicContact CE1-CZ2 4.38Å
164	K	93.8	Very high	92	Very high	128 Å²	128	55.4 Å²	55.4	56%	0.557	29%	0.29	S	S	*	.			trans	-115.3	124.7	-179.4	-71.9	176.1	-175.2	178.8	0	109.8	L162 S166 D403 Q405	L162-K164 PolarHBondContact O-N 2.92Å; K164-S166 PolarHBondContact O-N 3.49Å; K164-D403 WeakPolarHBondContact CA-OD2 3.4Å; K164-Q405 VanDerWaalsContact CE-OE1 3.25Å
165	L	93.9	Very high	92.3	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.063	28%	0.277	C	S	.	.			trans	-84	96.5	177.4	-172.3	63.6	0	0	0	110.4	Y163 D403 K460 L462	Y163-L165 HydrophobicContact CE1-CD1 4.47Å; L165-D403 HydrophobicContact CB-CB 3.94Å; L165-D403 PolarHBondContact N-OD2 3.15Å; L165-D403 VanDerWaalsContact N-OD2 3.08Å; L165-K460 HydrophobicContact CD2-CB 4.08Å; L165-K460 WeakPolarHBondContact CD2-O 3.38Å; L165-K460 HydrophobicContact CG-CB 3.82Å; L165-L462 HydrophobicContact CD1-CB 4.19Å; L165-L462 HydrophobicContact CD1-CD1 4.09Å; L165-L462 HydrophobicContact CD2-CB 4.08Å
166	S	90	Very high	92.7	Very high	78 Å²	78	56 Å²	56	55%	0.545	29%	0.293	S	S	.	.			trans	-104.4	-21.9	-179.3	55.5	0	0	0	0	114.8	K164 K460	K164-S166 PolarHBondContact O-N 3.49Å; S166-K460 WeakPolarHBondContact O-CE 3.45Å
167	D	90.7	Very high	93	Very high	111 Å²	111	54.2 Å²	54.2	59%	0.594	28%	0.281	S	S	*	.			trans	-98.3	162.6	-166	-60.2	-12.8	0	0	0	112.3
168	G	93.9	Very high	93.1	Very high	32 Å²	32	47.1 Å²	47.1	33%	0.33	26%	0.255	S	S	.	.	S	Bend	trans	92.9	173.3	177.3	0	0	0	0	0	115.2	K460	G168-K460 WeakPolarHBondContact O-CD 3.48Å; G168-K460 WeakPolarHBondContact O-CE 3.29Å; G168-K460 PolarHBondContact O-NZ 2.77Å
169	P	94.9	Very high	93.1	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.071	27%	0.269	C	S	.	.			trans	-73.3	152.1	178.9	33.2	-35.8	0	0	0	110.9	T173 L174 P207 E208	P169-T173 HydrophobicContact CB-CG2 4.02Å; P169-L174 HydrophobicContact CB-CD2 4.32Å; P169-L174 HydrophobicContact CB-CG 4.08Å; P169-L174 HydrophobicContact CG-CD1 4.29Å; P169-L174 HydrophobicContact CG-CD2 3.93Å; P169-L174 HydrophobicContact CG-CG 3.97Å; P169-P207 HydrophobicContact CB-CB 4.03Å; P169-P207 HydrophobicContact CB-CG 3.88Å; P169-P207 HydrophobicContact CG-CB 4.05Å; P169-P207 HydrophobicContact CG-CG 4.23Å; P169-E208 WeakPolarHBondContact CD-O 3.32Å
170	S	94.8	Very high	93.2	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.035	26%	0.261	C	S	.	.			trans	-83.3	170.9	163.6	69	0	0	0	0	110.8	L172 T173 L174 R457 L459	S170-L172 PolarHBondContact O-N 3.34Å; S170-L172 PolarHBondContact OG-N 3.3Å; S170-T173 PolarHBondContact O-N 2.95Å; S170-T173 PolarHBondContact OG-N 2.94Å; S170-T173 PolarHBondContact OG-OG1 2.88Å; S170-L174 WeakPolarHBondContact O-CG 3.03Å; S170-L174 PolarHBondContact O-N 3.04Å; S170-R457 WeakPolarHBondContact CB-O 3.38Å; S170-R457 PolarHBondContact OG-O 3.21Å; S170-L459 WeakPolarHBondContact CA-O 3.34Å; S170-L459 WeakPolarHBondContact CB-O 3.3Å
171	L	95.1	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-30.6	173.2	-63.1	-175.1	0	0	0	112	L174 S175 L183 F187 I445 P448 F450 W461	L171-L174 HydrophobicContact CD2-CD1 4.27Å; L171-L174 PolarHBondContact O-N 2.97Å; L171-S175 VanDerWaalsContact O-CB 3.26Å; L171-S175 WeakPolarHBondContact O-CB 3.02Å; L171-S175 PolarHBondContact O-N 2.76Å; L171-L183 HydrophobicContact CD2-CD1 4.44Å; L171-F187 HydrophobicContact CD2-CE2 4.23Å; L171-F187 HydrophobicContact CD2-CZ 3.77Å; L171-I445 HydrophobicContact CD1-CB 4.03Å; L171-I445 HydrophobicContact CD1-CG2 4.29Å; L171-P448 HydrophobicContact CB-CB 4.34Å; L171-P448 HydrophobicContact CB-CG 4.25Å; L171-P448 HydrophobicContact CD1-CB 3.97Å; L171-P448 HydrophobicContact CD1-CG 4.4Å; L171-F450 HydrophobicContact CB-CE1 3.99Å; L171-F450 HydrophobicContact CB-CZ 4.03Å; L171-W461 HydrophobicContact CD1-CH2 4.43Å; L171-W461 HydrophobicContact CD1-CZ2 3.6Å; L171-W461 HydrophobicContact CD2-CD2 4.45Å; L171-W461 HydrophobicContact CD2-CZ2 4.35Å; L171-W461 HydrophobicContact CG-CZ2 3.86Å
172	L	95.3	Very high	93.1	Very high	45 Å²	45	48 Å²	48	24%	0.236	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-49.9	175.5	177.8	63.2	0	0	0	110.3	S170 L174 S175 E176 F450 R457	S170-L172 PolarHBondContact O-N 3.34Å; S170-L172 PolarHBondContact OG-N 3.3Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.22Å; L172-S175 PolarHBondContact O-N 2.68Å; L172-S175 VanDerWaalsContact O-N 3.14Å; L172-E176 HydrophobicContact CD1-CG 4.23Å; L172-E176 WeakPolarHBondContact O-CG 3.46Å; L172-E176 PolarHBondContact O-N 3.06Å; L172-F450 VanDerWaalsContact CA-CZ 3.49Å; L172-F450 HydrophobicContact CB-CD1 4.43Å; L172-F450 HydrophobicContact CB-CE1 3.93Å; L172-F450 HydrophobicContact CB-CZ 4.07Å; L172-F450 HydrophobicContact CD1-CD2 4.18Å; L172-F450 HydrophobicContact CD1-CE2 4.11Å; L172-F450 HydrophobicContact CD1-CG 4.46Å; L172-F450 HydrophobicContact CD1-CZ 4.34Å; L172-R457 HydrophobicContact CB-CB 4.43Å; L172-R457 HydrophobicContact CB-CG 4.48Å; L172-R457 HydrophobicContact CD2-CB 4.07Å; L172-R457 HydrophobicContact CD2-CG 4Å
173	T	94.8	Very high	93.1	Very high	59 Å²	59	47.6 Å²	47.6	36%	0.362	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-41.9	176.7	-51.1	0	0	0	0	111.6	P169 S170 A177 P207	P169-T173 HydrophobicContact CB-CG2 4.02Å; S170-T173 PolarHBondContact O-N 2.95Å; S170-T173 PolarHBondContact OG-N 2.94Å; S170-T173 PolarHBondContact OG-OG1 2.88Å; T173-A177 VanDerWaalsContact O-CB 3.31Å; T173-A177 WeakPolarHBondContact O-CB 3.23Å; T173-A177 PolarHBondContact O-N 2.97Å; T173-P207 HydrophobicContact CG2-CG 4.13Å
174	L	94.7	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-44.3	175.6	-72.8	170.2	0	0	0	112.1	P169 S170 L171 L172 E176 A177 C178 L183 F186 P207 I209	P169-L174 HydrophobicContact CB-CD2 4.32Å; P169-L174 HydrophobicContact CB-CG 4.08Å; P169-L174 HydrophobicContact CG-CD1 4.29Å; P169-L174 HydrophobicContact CG-CD2 3.93Å; P169-L174 HydrophobicContact CG-CG 3.97Å; S170-L174 WeakPolarHBondContact O-CG 3.03Å; S170-L174 PolarHBondContact O-N 3.04Å; L171-L174 HydrophobicContact CD2-CD1 4.27Å; L171-L174 PolarHBondContact O-N 2.97Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.22Å; L174-E176 PolarHBondContact O-N 3.09Å; L174-A177 PolarHBondContact O-N 2.87Å; L174-C178 WeakPolarHBondContact O-CB 3.48Å; L174-C178 PolarHBondContact O-N 3.06Å; L174-L183 HydrophobicContact CB-CD1 4.06Å; L174-F186 HydrophobicContact CD1-CE1 3.94Å; L174-F186 HydrophobicContact CD1-CZ 4.22Å; L174-F186 HydrophobicContact CD2-CE1 4.02Å; L174-F186 HydrophobicContact CD2-CE2 3.98Å; L174-F186 HydrophobicContact CD2-CZ 3.5Å; L174-F186 HydrophobicContact CG-CZ 4.47Å; L174-P207 HydrophobicContact CD2-CG 4.14Å; L174-P207 WeakPolarHBondContact CD2-O 3.41Å; L174-I209 HydrophobicContact CD1-CD1 3.95Å; L174-I209 HydrophobicContact CD1-CG1 3.91Å
175	S	93.5	Very high	92.7	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-41.5	178.2	-175.5	0	0	0	0	112.3	L171 L172 R179 S180	L171-S175 VanDerWaalsContact O-CB 3.26Å; L171-S175 WeakPolarHBondContact O-CB 3.02Å; L171-S175 PolarHBondContact O-N 2.76Å; L172-S175 PolarHBondContact O-N 2.68Å; L172-S175 VanDerWaalsContact O-N 3.14Å; S175-R179 WeakPolarHBondContact O-CA 3.16Å; S175-R179 PolarHBondContact O-N 3.04Å; S175-S180 WeakPolarHBondContact CA-O 3.35Å; S175-S180 WeakPolarHBondContact CB-O 3.48Å; S175-S180 PolarHBondContact O-N 3.04Å; S175-S180 PolarHBondContact OG-O 2.92Å
176	E	93.3	Very high	92.6	Very high	118 Å²	118	42.9 Å²	42.9	55%	0.551	23%	0.23	S	C	*	.	H	α-helix	trans	-66.5	-42.8	175	-70.9	174.5	164.3	0	0	111.9	L172 L174 R179	L172-E176 HydrophobicContact CD1-CG 4.23Å; L172-E176 WeakPolarHBondContact O-CG 3.46Å; L172-E176 PolarHBondContact O-N 3.06Å; L174-E176 PolarHBondContact O-N 3.09Å; E176-R179 WeakPolarHBondContact O-CG 3.38Å; E176-R179 PolarHBondContact O-N 2.95Å; E176-R179 VanDerWaalsContact O-N 3.15Å
177	A	93.6	Very high	92.7	Very high	8 Å²	8	39.5 Å²	39.5	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-44.9	176.9	0	0	0	0	0	111.8	T173 L174 R179 N203 I206 P207	T173-A177 VanDerWaalsContact O-CB 3.31Å; T173-A177 WeakPolarHBondContact O-CB 3.23Å; T173-A177 PolarHBondContact O-N 2.97Å; L174-A177 PolarHBondContact O-N 2.87Å; A177-R179 PolarHBondContact O-N 2.98Å; A177-N203 PolarHBondContact O-N 3.5Å; A177-I206 VanDerWaalsContact C-CD1 3.41Å; A177-I206 HydrophobicContact CB-CD1 3.77Å; A177-I206 HydrophobicContact CB-CG2 4.48Å; A177-I206 WeakPolarHBondContact O-CD1 3.35Å; A177-P207 HydrophobicContact CB-CG 4.39Å
178	C	92.4	Very high	92.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-72.4	-11.8	174.1	-75.7	0	0	0	0	113.5	L174 S180 L183 C192	L174-C178 WeakPolarHBondContact O-CB 3.48Å; L174-C178 PolarHBondContact O-N 3.06Å; C178-S180 PolarHBondContact O-N 3.06Å; C178-L183 HydrophobicContact CB-CD2 3.92Å; C178-C192 WeakPolarHBondContact CA-SG 3.33Å; C178-C192 HydrophobicContact CB-CB 3.54Å; C178-C192 WeakPolarHBondContact CB-SG 3.33Å; C178-C192 WeakPolarHBondContact SG-CB 3.06Å; C178-C192 CovalentContact SG-SG 2.04Å; C178-C192 PolarHBondContact SG-SG 3.37Å
179	R	90.9	Very high	92.1	Very high	114 Å²	114	39 Å²	39	43%	0.43	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	35.7	-171.2	-57.4	-173.4	-176.5	171.2	-7.2	113.2	S175 E176 A177 A201 N203	S175-R179 WeakPolarHBondContact O-CA 3.16Å; S175-R179 PolarHBondContact O-N 3.04Å; E176-R179 WeakPolarHBondContact O-CG 3.38Å; E176-R179 PolarHBondContact O-N 2.95Å; E176-R179 VanDerWaalsContact O-N 3.15Å; A177-R179 PolarHBondContact O-N 2.98Å; R179-A201 VanDerWaalsContact CD-O 3.26Å; R179-A201 WeakPolarHBondContact CD-O 3.34Å; R179-A201 PolarHBondContact NE-O 3.49Å; R179-A201 PolarHBondContact NH1-O 2.89Å; R179-N203 VanDerWaalsContact CZ-OD1 3.32Å; R179-N203 PolarHBondContact NE-OD1 3.14Å; R179-N203 PolarHBondContact NH2-OD1 2.85Å
180	S	90.6	Very high	91.7	Very high	21 Å²	21	43.1 Å²	43.1	15%	0.147	22%	0.224	C	C	.	.	S	Bend	trans	-152	142.2	-178	-178.4	0	0	0	0	110.4	S175 C178 N182 P193	S175-S180 WeakPolarHBondContact CA-O 3.35Å; S175-S180 WeakPolarHBondContact CB-O 3.48Å; S175-S180 PolarHBondContact O-N 3.04Å; S175-S180 PolarHBondContact OG-O 2.92Å; C178-S180 PolarHBondContact O-N 3.06Å; S180-N182 VanDerWaalsContact C-N 3.3Å; S180-N182 PolarHBondContact OG-N 3.34Å; S180-P193 VanDerWaalsContact CB-CG 3.45Å; S180-P193 WeakPolarHBondContact OG-CG 3.33Å
181	R	88.3	Confident	91.5	Very high	115 Å²	115	44.5 Å²	44.5	43%	0.434	24%	0.239	S	C	.	.	S	Bend	trans	-76.9	-19.2	168.6	-67.7	-172.1	-177.8	-173.8	-0.3	112	L183 P448 E451	R181-L183 PolarHBondContact O-N 2.87Å; R181-P448 WeakPolarHBondContact O-CD 3.5Å; R181-E451 IonicContact CZ-OE1 2.68Å; R181-E451 IonicContact NH1-OE1 2.79Å; R181-E451 PolarHBondContact NH1-OE1 2.81Å; R181-E451 IonicContact NH2-OE1 3.41Å; R181-E451 PolarHBondContact NH2-OE1 3.01Å
182	N	92.1	Very high	91.2	Very high	63 Å²	63	45.5 Å²	45.5	34%	0.337	25%	0.245	S	C	.	.			trans	-89.5	94.3	179.9	-173.2	-13	0	0	0	110.9	S180 T184 P193 T446 Y447	S180-N182 VanDerWaalsContact C-N 3.3Å; S180-N182 PolarHBondContact OG-N 3.34Å; N182-T184 VanDerWaalsContact C-N 3.3Å; N182-T184 PolarHBondContact O-N 2.8Å; N182-T184 WeakPolarHBondContact OD1-CB 3.47Å; N182-T184 PolarHBondContact OD1-N 2.93Å; N182-T184 VanDerWaalsContact OD1-N 3.09Å; N182-T184 PolarHBondContact OD1-OG1 2.64Å; N182-P193 WeakPolarHBondContact O-CD 3.38Å; N182-P193 WeakPolarHBondContact O-CG 3.38Å; N182-T446 CarbonylContact C-O 3.33Å; N182-Y447 HydrophobicContact CB-CD2 3.88Å; N182-Y447 HydrophobicContact CB-CE2 4.02Å
183	L	93.5	Very high	90.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.			trans	-87.9	9.3	178.7	-60.3	179.6	0	0	0	113.5	L171 L174 C178 R181 T185 F186 F187 T446 P448	L171-L183 HydrophobicContact CD2-CD1 4.44Å; L174-L183 HydrophobicContact CB-CD1 4.06Å; C178-L183 HydrophobicContact CB-CD2 3.92Å; R181-L183 PolarHBondContact O-N 2.87Å; L183-T185 PolarHBondContact O-N 3.31Å; L183-F186 HydrophobicContact CB-CB 4.45Å; L183-F186 WeakPolarHBondContact O-CB 3.24Å; L183-F186 PolarHBondContact O-N 2.93Å; L183-F187 HydrophobicContact CB-CD2 3.75Å; L183-F187 HydrophobicContact CB-CE2 3.74Å; L183-F187 HydrophobicContact CD1-CE2 4.05Å; L183-F187 WeakPolarHBondContact O-CD2 3.25Å; L183-F187 PolarHBondContact O-N 3.09Å; L183-T446 WeakPolarHBondContact CA-O 3.42Å; L183-T446 PolarHBondContact N-O 3.42Å; L183-P448 HydrophobicContact CD1-CG 4.31Å
184	T	90.7	Very high	89.6	Confident	35 Å²	35	47.2 Å²	47.2	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-53.6	-47.5	-175.7	-56.8	0	0	0	0	112.9	N182 R188 T446	N182-T184 VanDerWaalsContact C-N 3.3Å; N182-T184 PolarHBondContact O-N 2.8Å; N182-T184 WeakPolarHBondContact OD1-CB 3.47Å; N182-T184 PolarHBondContact OD1-N 2.93Å; N182-T184 VanDerWaalsContact OD1-N 3.09Å; N182-T184 PolarHBondContact OD1-OG1 2.64Å; T184-R188 VanDerWaalsContact O-CG 3.29Å; T184-R188 WeakPolarHBondContact O-CG 3.43Å; T184-R188 PolarHBondContact O-N 3.31Å; T184-R188 VanDerWaalsContact O-N 3.08Å; T184-T446 PolarHBondContact N-O 2.93Å
185	T	89.2	Confident	88.2	Confident	37 Å²	37	49.4 Å²	49.4	23%	0.227	27%	0.27	C	S	.	.	H	α-helix	trans	-71.1	-33.5	179.7	55.9	0	0	0	0	112	L183 R188 G189 E190 G191 P193	L183-T185 PolarHBondContact O-N 3.31Å; T185-R188 PolarHBondContact O-N 3.05Å; T185-G189 PolarHBondContact O-N 2.72Å; T185-E190 WeakPolarHBondContact O-CA 3.32Å; T185-E190 WeakPolarHBondContact O-CB 3.16Å; T185-E190 PolarHBondContact O-N 2.69Å; T185-G191 CarbonylContact C-O 3.53Å; T185-G191 VanDerWaalsContact CB-O 3.23Å; T185-G191 WeakPolarHBondContact CB-O 3.36Å; T185-G191 PolarHBondContact OG1-O 3.45Å; T185-P193 WeakPolarHBondContact OG1-CA 3.12Å; T185-P193 WeakPolarHBondContact OG1-CD 3.34Å; T185-P193 VanDerWaalsContact OG1-N 3.15Å
186	F	93.1	Very high	86.7	Confident	36 Å²	36	57.7 Å²	57.7	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-52	176	168.6	-90.9	0	0	0	110	L174 L183 R188 G189 G191 I206 I209	L174-F186 HydrophobicContact CD1-CE1 3.94Å; L174-F186 HydrophobicContact CD1-CZ 4.22Å; L174-F186 HydrophobicContact CD2-CE1 4.02Å; L174-F186 HydrophobicContact CD2-CE2 3.98Å; L174-F186 HydrophobicContact CD2-CZ 3.5Å; L174-F186 HydrophobicContact CG-CZ 4.47Å; L183-F186 HydrophobicContact CB-CB 4.45Å; L183-F186 WeakPolarHBondContact O-CB 3.24Å; L183-F186 PolarHBondContact O-N 2.93Å; F186-R188 VanDerWaalsContact C-N 3.28Å; F186-R188 PolarHBondContact O-N 2.84Å; F186-G189 PolarHBondContact O-N 2.92Å; F186-G191 WeakPolarHBondContact CA-O 3.2Å; F186-G191 PolarHBondContact N-O 3.05Å; F186-I206 HydrophobicContact CD2-CG2 4.19Å; F186-I206 HydrophobicContact CE2-CG2 3.79Å; F186-I209 HydrophobicContact CE1-CD1 4.01Å; F186-I209 HydrophobicContact CE1-CG1 4.41Å; F186-I209 HydrophobicContact CZ-CG1 4.45Å
187	F	92.1	Very high	85.2	Confident	8 Å²	8	57 Å²	57	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-36.6	177.6	-79.4	-72.2	0	0	0	111.7	L171 L183 G189 I209 Q398 I400 I445 T446	L171-F187 HydrophobicContact CD2-CE2 4.23Å; L171-F187 HydrophobicContact CD2-CZ 3.77Å; L183-F187 HydrophobicContact CB-CD2 3.75Å; L183-F187 HydrophobicContact CB-CE2 3.74Å; L183-F187 HydrophobicContact CD1-CE2 4.05Å; L183-F187 WeakPolarHBondContact O-CD2 3.25Å; L183-F187 PolarHBondContact O-N 3.09Å; F187-G189 PolarHBondContact O-N 3.41Å; F187-I209 HydrophobicContact CD1-CD1 4.49Å; F187-I209 HydrophobicContact CE1-CD1 3.56Å; F187-I209 HydrophobicContact CZ-CD1 4.05Å; F187-Q398 PolarHBondContact O-NE2 3.16Å; F187-Q398 PolarHBondContact O-OE1 3.45Å; F187-I400 HydrophobicContact CD1-CD1 4.3Å; F187-I400 HydrophobicContact CD1-CG1 3.94Å; F187-I400 HydrophobicContact CE1-CD1 4.35Å; F187-I400 HydrophobicContact CE1-CG1 4.03Å; F187-I400 HydrophobicContact CE1-CG2 4.22Å; F187-I445 HydrophobicContact CE1-CD1 4.22Å; F187-I445 HydrophobicContact CE2-CG1 4.41Å; F187-I445 WeakPolarHBondContact CE2-O 3.18Å; F187-I445 HydrophobicContact CZ-CD1 4.33Å; F187-I445 HydrophobicContact CZ-CG1 4.37Å; F187-T446 HydrophobicContact CB-CG2 4.37Å; F187-T446 HydrophobicContact CD2-CG2 4.06Å; F187-T446 HydrophobicContact CG-CG2 4.4Å
188	R	86	Confident	83.8	Confident	67 Å²	67	60.3 Å²	60.3	25%	0.253	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.8	173.5	-71.6	174	179.9	176.2	-0.3	115	T184 T185 F186 E190	T184-R188 VanDerWaalsContact O-CG 3.29Å; T184-R188 WeakPolarHBondContact O-CG 3.43Å; T184-R188 PolarHBondContact O-N 3.31Å; T184-R188 VanDerWaalsContact O-N 3.08Å; T185-R188 PolarHBondContact O-N 3.05Å; F186-R188 VanDerWaalsContact C-N 3.28Å; F186-R188 PolarHBondContact O-N 2.84Å; R188-E190 HydrophobicContact CB-CG 3.96Å
189	G	85.7	Confident	82.5	Confident	66 Å²	66	63.4 Å²	63.4	68%	0.68	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	19.5	-175.3	0	0	0	0	0	112.9	T185 F186 F187	T185-G189 PolarHBondContact O-N 2.72Å; F186-G189 PolarHBondContact O-N 2.92Å; F187-G189 PolarHBondContact O-N 3.41Å
190	E	87	Confident	81.6	Confident	97 Å²	97	64.3 Å²	64.3	45%	0.453	37%	0.374	S	S	.	.	S	Bend	trans	-95.4	2.7	178.5	-60.2	173.1	-161.6	0	0	111.7	T185 R188 K330	T185-E190 WeakPolarHBondContact O-CA 3.32Å; T185-E190 WeakPolarHBondContact O-CB 3.16Å; T185-E190 PolarHBondContact O-N 2.69Å; R188-E190 HydrophobicContact CB-CG 3.96Å; E190-K330 VanDerWaalsContact CD-NZ 3.33Å; E190-K330 IonicContact OE1-NZ 2.74Å; E190-K330 PolarHBondContact OE1-NZ 2.85Å; E190-K330 IonicContact OE2-NZ 3.94Å; E190-K330 PolarHBondContact OE2-NZ 3.11Å
191	G	88.9	Confident	81.2	Confident	34 Å²	34	66.3 Å²	66.3	35%	0.351	39%	0.392	S	S	.	.			trans	84.8	175	-175.9	0	0	0	0	0	113.5	T185 F186	T185-G191 CarbonylContact C-O 3.53Å; T185-G191 VanDerWaalsContact CB-O 3.23Å; T185-G191 WeakPolarHBondContact CB-O 3.36Å; T185-G191 PolarHBondContact OG1-O 3.45Å; F186-G191 WeakPolarHBondContact CA-O 3.2Å; F186-G191 PolarHBondContact N-O 3.05Å
192	C	90.3	Very high	81.1	Confident	20 Å²	20	62.7 Å²	62.7	14%	0.135	38%	0.383	C	S	.	.	S	Bend	trans	-60.6	145.5	175.9	-64.2	0	0	0	0	111	C178 P202	C178-C192 WeakPolarHBondContact CA-SG 3.33Å; C178-C192 HydrophobicContact CB-CB 3.54Å; C178-C192 WeakPolarHBondContact CB-SG 3.33Å; C178-C192 WeakPolarHBondContact SG-CB 3.06Å; C178-C192 CovalentContact SG-SG 2.04Å; C178-C192 PolarHBondContact SG-SG 3.37Å; C192-P202 HydrophobicContact CB-CB 3.93Å; C192-P202 HydrophobicContact CB-CG 3.6Å
193	P	82.6	Confident	80.9	Confident	23 Å²	23	62.8 Å²	62.8	15%	0.149	38%	0.384	C	S	.	.			trans	-64.6	145.8	176.8	33.9	-42.2	0	0	0	110.1	S180 N182 T185 D195	S180-P193 VanDerWaalsContact CB-CG 3.45Å; S180-P193 WeakPolarHBondContact OG-CG 3.33Å; N182-P193 WeakPolarHBondContact O-CD 3.38Å; N182-P193 WeakPolarHBondContact O-CG 3.38Å; T185-P193 WeakPolarHBondContact OG1-CA 3.12Å; T185-P193 WeakPolarHBondContact OG1-CD 3.34Å; T185-P193 VanDerWaalsContact OG1-N 3.15Å; P193-D195 PolarHBondContact O-N 3.34Å
194	V	73.7	Confident	80.6	Confident	118 Å²	118	72 Å²	72	72%	0.715	43%	0.427	S	S	*	.			trans	-85.6	102.7	166.8	-176.8	0	0	0	0	107.2	Q196	V194-Q196 PolarHBondContact O-N 2.91Å; V194-Q196 VanDerWaalsContact O-N 3.09Å
195	D	63.9	Low	80.5	Confident	45 Å²	45	77.2 Å²	77.2	24%	0.241	45%	0.454	C	S	.	.			trans	-72.8	100.5	173.1	179.2	13.2	0	0	0	109.9	P193 S197 T198 G199	P193-D195 PolarHBondContact O-N 3.34Å; D195-S197 VanDerWaalsContact CG-OG 3.27Å; D195-S197 PolarHBondContact O-N 3.05Å; D195-S197 VanDerWaalsContact OD1-CB 3.32Å; D195-S197 WeakPolarHBondContact OD1-CB 3.36Å; D195-S197 PolarHBondContact OD1-N 2.69Å; D195-S197 PolarHBondContact OD1-OG 3.29Å; D195-S197 PolarHBondContact OD2-OG 2.57Å; D195-T198 WeakPolarHBondContact OD2-CB 3.38Å; D195-T198 WeakPolarHBondContact OD2-CG2 2.97Å; D195-T198 PolarHBondContact OD2-OG1 2.85Å; D195-G199 PolarHBondContact O-N 3.44Å; D195-G199 VanDerWaalsContact O-N 3.08Å
196	Q	63.6	Low	80.7	Confident	184 Å²	184	77.7 Å²	77.7	86%	0.86	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.3	177.5	-65	-174.3	-3.2	0	0	112.7	V194	V194-Q196 PolarHBondContact O-N 2.91Å; V194-Q196 VanDerWaalsContact O-N 3.09Å
197	S	60.1	Low	80.7	Confident	105 Å²	105	78 Å²	78	73%	0.734	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-36.6	-175.2	74.2	0	0	0	0	113.2	D195	D195-S197 VanDerWaalsContact CG-OG 3.27Å; D195-S197 PolarHBondContact O-N 3.05Å; D195-S197 VanDerWaalsContact OD1-CB 3.32Å; D195-S197 WeakPolarHBondContact OD1-CB 3.36Å; D195-S197 PolarHBondContact OD1-N 2.69Å; D195-S197 PolarHBondContact OD1-OG 3.29Å; D195-S197 PolarHBondContact OD2-OG 2.57Å
198	T	64.9	Low	80.8	Confident	77 Å²	77	84.9 Å²	84.9	47%	0.472	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-20.4	175.2	58.1	0	0	0	0	112.7	D195 K200	D195-T198 WeakPolarHBondContact OD2-CB 3.38Å; D195-T198 WeakPolarHBondContact OD2-CG2 2.97Å; D195-T198 PolarHBondContact OD2-OG1 2.85Å; T198-K200 PolarHBondContact O-N 3Å
199	G	65.2	Low	81.2	Confident	66 Å²	66	82.2 Å²	82.2	68%	0.68	48%	0.483	S	S	*	.			trans	63.6	7.3	-176.9	0	0	0	0	0	113.9	D195 A201	D195-G199 PolarHBondContact O-N 3.44Å; D195-G199 VanDerWaalsContact O-N 3.08Å; G199-A201 PolarHBondContact O-N 3.22Å
200	K	72.4	Confident	81.8	Confident	133 Å²	133	81 Å²	81	58%	0.578	46%	0.463	S	S	*	.			trans	-86.5	115.3	-177.3	-73.9	-175.8	-179.3	178.6	0	109.1	T198	T198-K200 PolarHBondContact O-N 3Å
201	A	81.9	Confident	82.3	Confident	63 Å²	63	83.1 Å²	83.1	52%	0.521	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.2	147.8	170.9	0	0	0	0	0	110.8	R179 G199	R179-A201 VanDerWaalsContact CD-O 3.26Å; R179-A201 WeakPolarHBondContact CD-O 3.34Å; R179-A201 PolarHBondContact NE-O 3.49Å; R179-A201 PolarHBondContact NH1-O 2.89Å; G199-A201 PolarHBondContact O-N 3.22Å
202	P	86.9	Confident	82.7	Confident	39 Å²	39	81.8 Å²	81.8	25%	0.253	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-52.4	158.1	167.7	-23.1	33.1	0	0	0	111.6	C192 I206	C192-P202 HydrophobicContact CB-CB 3.93Å; C192-P202 HydrophobicContact CB-CG 3.6Å; P202-I206 HydrophobicContact CB-CD1 3.95Å
203	N	88	Confident	83.1	Confident	66 Å²	66	84 Å²	84	35%	0.353	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-62.5	149.1	170.5	-66.3	-13.5	0	0	0	109.9	A177 R179 N205 I206	A177-N203 PolarHBondContact O-N 3.5Å; R179-N203 VanDerWaalsContact CZ-OD1 3.32Å; R179-N203 PolarHBondContact NE-OD1 3.14Å; R179-N203 PolarHBondContact NH2-OD1 2.85Å; N203-N205 VanDerWaalsContact C-N 3.26Å; N203-N205 PolarHBondContact O-N 3.33Å; N203-I206 HydrophobicContact CB-CD1 4.33Å; N203-I206 WeakPolarHBondContact O-CD1 3.44Å
204	E	85.9	Confident	83.8	Confident	193 Å²	193	87.3 Å²	87.3	90%	0.902	48%	0.478	S	S	*	.	S	Bend	trans	-60.1	-37.5	-178.9	-66.2	-179.7	173.4	0	0	112.4
205	N	89.7	Confident	85	Confident	145 Å²	145	83.5 Å²	83.5	78%	0.775	45%	0.453	S	S	*	.	S	Bend	trans	-107.5	90.1	-179.4	-65.3	-32.8	0	0	0	110.4	N203	N203-N205 VanDerWaalsContact C-N 3.26Å; N203-N205 PolarHBondContact O-N 3.33Å
206	I	92.5	Very high	86.6	Confident	47 Å²	47	86.5 Å²	86.5	24%	0.241	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-79.6	121.8	171.2	-52.8	-58.1	0	0	0	108.2	A177 F186 P202 N203	A177-I206 VanDerWaalsContact C-CD1 3.41Å; A177-I206 HydrophobicContact CB-CD1 3.77Å; A177-I206 HydrophobicContact CB-CG2 4.48Å; A177-I206 WeakPolarHBondContact O-CD1 3.35Å; F186-I206 HydrophobicContact CD2-CG2 4.19Å; F186-I206 HydrophobicContact CE2-CG2 3.79Å; P202-I206 HydrophobicContact CB-CD1 3.95Å; N203-I206 HydrophobicContact CB-CD1 4.33Å; N203-I206 WeakPolarHBondContact O-CD1 3.44Å
207	P	93.5	Very high	88.1	Confident	42 Å²	42	83.4 Å²	83.4	27%	0.273	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-67.4	142	179.6	27.1	-30.9	0	0	0	110.5	P169 T173 L174 A177	P169-P207 HydrophobicContact CB-CB 4.03Å; P169-P207 HydrophobicContact CB-CG 3.88Å; P169-P207 HydrophobicContact CG-CB 4.05Å; P169-P207 HydrophobicContact CG-CG 4.23Å; T173-P207 HydrophobicContact CG2-CG 4.13Å; L174-P207 HydrophobicContact CD2-CG 4.14Å; L174-P207 WeakPolarHBondContact CD2-O 3.41Å; A177-P207 HydrophobicContact CB-CG 4.39Å
208	E	93.1	Very high	89.8	Confident	152 Å²	152	81.3 Å²	81.3	71%	0.71	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-89.2	148.1	177.2	-65.3	-170.5	174.5	0	0	111.4	P169	P169-E208 WeakPolarHBondContact CD-O 3.32Å
209	I	96.2	Very high	91.3	Very high	12 Å²	12	78.6 Å²	78.6	6%	0.062	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-72.7	128.3	168.2	-62.2	177.3	0	0	0	107.8	L174 F186 F187 W461 N463	L174-I209 HydrophobicContact CD1-CD1 3.95Å; L174-I209 HydrophobicContact CD1-CG1 3.91Å; F186-I209 HydrophobicContact CE1-CD1 4.01Å; F186-I209 HydrophobicContact CE1-CG1 4.41Å; F186-I209 HydrophobicContact CZ-CG1 4.45Å; F187-I209 HydrophobicContact CD1-CD1 4.49Å; F187-I209 HydrophobicContact CE1-CD1 3.56Å; F187-I209 HydrophobicContact CZ-CD1 4.05Å; I209-W461 HydrophobicContact CD1-CB 4.3Å; I209-W461 HydrophobicContact CG2-CB 3.86Å; I209-W461 VanDerWaalsContact CG2-O 3.23Å; I209-W461 WeakPolarHBondContact CG2-O 3.21Å; I209-N463 HydrophobicContact CB-CB 4.3Å; I209-N463 HydrophobicContact CG2-CB 3.94Å
210	P	97.1	Very high	92.7	Very high	40 Å²	40	77 Å²	77	26%	0.26	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-51.6	141.6	175.6	-26.4	33.7	0	0	0	111.8	L462 N463	P210-L462 HydrophobicContact CB-CD1 4.28Å; P210-N463 PolarHBondContact O-N 2.72Å
211	K	97.4	Very high	93.7	Very high	141 Å²	141	73.3 Å²	73.3	61%	0.613	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-85.7	152.1	177.8	-63.6	-175.8	-172.4	178.1	0	111	L462 N463	K211-L462 WeakPolarHBondContact O-CD1 3.31Å; K211-N463 CarbonylContact C-O 3.54Å; K211-N463 VanDerWaalsContact CA-O 3.25Å; K211-N463 WeakPolarHBondContact CA-O 3.11Å
212	C	98	Very high	94.2	Very high	6 Å²	6	74.9 Å²	74.9	4%	0.041	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-52	150.5	163.6	-102.7	0	0	0	0	110.8	I236 L462 N463 C464	C212-I236 HydrophobicContact CB-CD1 3.81Å; C212-I236 HydrophobicContact CB-CG1 3.96Å; C212-L462 HydrophobicContact CB-CD2 4.49Å; C212-L462 VanDerWaalsContact SG-CD2 3.56Å; C212-N463 PolarHBondContact N-O 3.27Å; C212-C464 HydrophobicContact CB-CB 3.67Å; C212-C464 WeakPolarHBondContact CB-SG 3.3Å; C212-C464 WeakPolarHBondContact SG-CB 3.22Å; C212-C464 CovalentContact SG-SG 2Å; C212-C464 PolarHBondContact SG-SG 3.34Å
213	E	98.2	Very high	94.5	Very high	68 Å²	68	77 Å²	77	32%	0.318	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	139.5	164.9	-175	-179.6	165.1	0	0	110.2	Y228 K233 V235 I236	E213-Y228 PolarHBondContact OE1-OH 3.09Å; E213-K233 VanDerWaalsContact OE2-CE 3.24Å; E213-K233 WeakPolarHBondContact OE2-CE 3.46Å; E213-K233 IonicContact OE2-NZ 3.68Å; E213-K233 PolarHBondContact OE2-NZ 3.47Å; E213-V235 HydrophobicContact CB-CG2 4.37Å; E213-V235 HydrophobicContact CG-CG2 4.43Å; E213-I236 PolarHBondContact O-N 3.48Å
214	E	98.6	Very high	94.8	Very high	92 Å²	92	74 Å²	74	43%	0.43	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.1	-179.7	-61	-167.2	157.6	0	0	110.2	I236 K238	E214-I236 CarbonylContact C-O 3.56Å; E214-I236 WeakPolarHBondContact CA-O 3.46Å; E214-I236 HydrophobicContact CG-CB 4.28Å; E214-I236 HydrophobicContact CG-CD1 4.43Å; E214-K238 HydrophobicContact CB-CD 4.18Å; E214-K238 HydrophobicContact CB-CG 3.9Å; E214-K238 HydrophobicContact CG-CD 4.12Å; E214-K238 HydrophobicContact CG-CG 4.41Å; E214-K238 IonicContact OE1-NZ 3.83Å
215	L	98.5	Very high	95.1	Very high	38 Å²	38	68.9 Å²	68.9	20%	0.199	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.2	173.9	-66.3	-174.4	0	0	0	110.6	P219 Y228 V235 I236 F237 K238	L215-P219 HydrophobicContact CD1-CG 4.48Å; L215-Y228 HydrophobicContact CD1-CE2 3.83Å; L215-Y228 VanDerWaalsContact CD1-OH 3.23Å; L215-Y228 WeakPolarHBondContact CD1-OH 3.42Å; L215-V235 HydrophobicContact CD1-CG2 4.18Å; L215-V235 HydrophobicContact CG-CG2 3.93Å; L215-I236 PolarHBondContact N-O 3.28Å; L215-F237 HydrophobicContact CB-CD1 4.21Å; L215-F237 HydrophobicContact CD1-CD1 4.19Å; L215-F237 HydrophobicContact CD1-CE1 3.93Å; L215-F237 CarbonylContact O-C 3.53Å; L215-K238 PolarHBondContact O-N 2.97Å
216	S	97.2	Very high	95.2	Very high	108 Å²	108	65.3 Å²	65.3	76%	0.755	36%	0.36	S	S	*	.	S	Bend	trans	-87	-12.7	173.4	-61.2	0	0	0	0	113.3
217	V	95.7	Very high	95.3	Very high	118 Å²	118	68 Å²	68	72%	0.715	37%	0.372	S	S	*	.	S	Bend	trans	-125.1	133.7	178.3	-178.1	0	0	0	0	107.8
218	L	95.8	Very high	95.4	Very high	61 Å²	61	66.1 Å²	66.1	32%	0.319	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-66.3	135.6	177.4	-65.4	-174.4	0	0	0	110.4	F237 A240 P357 F358	L218-F237 HydrophobicContact CD2-CB 3.69Å; L218-F237 HydrophobicContact CD2-CD1 3.83Å; L218-F237 HydrophobicContact CD2-CG 3.79Å; L218-A240 HydrophobicContact CD2-CB 3.72Å; L218-A240 HydrophobicContact CG-CB 4.49Å; L218-P357 HydrophobicContact CD1-CG 4.13Å; L218-F358 HydrophobicContact CB-CD1 4.46Å; L218-F358 HydrophobicContact CB-CE1 4.39Å; L218-F358 HydrophobicContact CD1-CE1 4.44Å; L218-F358 HydrophobicContact CD2-CE1 4.1Å
219	P	95.3	Very high	95.4	Very high	20 Å²	20	59.4 Å²	59.4	13%	0.13	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.4	159.1	177	28.9	-35.9	0	0	0	111.6	L215 D223 F224 F237 F358	L215-P219 HydrophobicContact CD1-CG 4.48Å; P219-D223 HydrophobicContact CB-CB 4Å; P219-F224 HydrophobicContact CB-CB 4.24Å; P219-F224 HydrophobicContact CG-CB 3.84Å; P219-F224 HydrophobicContact CG-CD2 4.22Å; P219-F224 HydrophobicContact CG-CG 4.5Å; P219-F237 VanDerWaalsContact CD-CE1 3.44Å; P219-F237 HydrophobicContact CG-CE1 3.79Å; P219-F237 HydrophobicContact CG-CZ 4.36Å; P219-F358 HydrophobicContact CG-CD1 4.13Å; P219-F358 HydrophobicContact CG-CE1 4.33Å; P219-F358 HydrophobicContact CG-CG 4.47Å
220	G	95.1	Very high	95.1	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-68.2	169.6	163.9	0	0	0	0	0	111.6	V222 D223 F224	G220-V222 VanDerWaalsContact C-N 3.35Å; G220-V222 PolarHBondContact O-N 3.36Å; G220-D223 PolarHBondContact N-OD2 2.96Å; G220-D223 PolarHBondContact O-N 3.01Å; G220-F224 WeakPolarHBondContact O-CB 3.21Å; G220-F224 PolarHBondContact O-N 2.79Å
221	N	93.5	Very high	94.9	Very high	56 Å²	56	58.2 Å²	58.2	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-57.3	-46.9	179.9	-66	42.8	0	0	0	112.3	E225 F358	N221-E225 WeakPolarHBondContact O-CB 3.48Å; N221-E225 PolarHBondContact O-N 2.81Å; N221-F358 PolarHBondContact ND2-O 2.68Å; N221-F358 WeakPolarHBondContact OD1-CA 3.3Å
222	V	91.9	Very high	94.9	Very high	97 Å²	97	51.8 Å²	51.8	59%	0.588	29%	0.293	S	S	*	.	H	α-helix	trans	-69.3	-42.4	-178.1	177.8	0	0	0	0	111	G220 E225 V226	G220-V222 VanDerWaalsContact C-N 3.35Å; G220-V222 PolarHBondContact O-N 3.36Å; V222-E225 PolarHBondContact O-N 3.46Å; V222-V226 HydrophobicContact CG1-CG2 4.31Å; V222-V226 WeakPolarHBondContact O-CG2 3.28Å; V222-V226 PolarHBondContact O-N 2.96Å
223	D	94	Very high	94.8	Very high	82 Å²	82	54 Å²	54	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-44.6	179.4	-49.2	-40.3	0	0	0	110.3	P219 G220 E225 E227	P219-D223 HydrophobicContact CB-CB 4Å; G220-D223 PolarHBondContact N-OD2 2.96Å; G220-D223 PolarHBondContact O-N 3.01Å; D223-E225 PolarHBondContact O-N 3.38Å; D223-E227 VanDerWaalsContact O-CB 3.26Å; D223-E227 WeakPolarHBondContact O-CB 3.41Å; D223-E227 WeakPolarHBondContact O-CG 3.48Å; D223-E227 PolarHBondContact O-N 3.03Å
224	F	94.9	Very high	94.9	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.022	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-47.3	175.7	177.6	-101.2	0	0	0	112.2	P219 G220 Y228 L229 F237 F358 I359 F389 Y473	P219-F224 HydrophobicContact CB-CB 4.24Å; P219-F224 HydrophobicContact CG-CB 3.84Å; P219-F224 HydrophobicContact CG-CD2 4.22Å; P219-F224 HydrophobicContact CG-CG 4.5Å; G220-F224 WeakPolarHBondContact O-CB 3.21Å; G220-F224 PolarHBondContact O-N 2.79Å; F224-Y228 HydrophobicContact CD2-CD2 4Å; F224-Y228 HydrophobicContact CD2-CG 4.44Å; F224-Y228 PolarHBondContact O-N 2.88Å; F224-Y228 VanDerWaalsContact O-N 3.09Å; F224-L229 HydrophobicContact CD1-CB 4.48Å; F224-L229 HydrophobicContact CE1-CB 4Å; F224-L229 HydrophobicContact CZ-CB 4.46Å; F224-L229 PolarHBondContact O-N 2.98Å; F224-F237 HydrophobicContact CD2-CZ 4Å; F224-F237 HydrophobicContact CE2-CZ 4.02Å; F224-F358 HydrophobicContact CB-CB 4.02Å; F224-F358 HydrophobicContact CB-CD2 3.81Å; F224-F358 HydrophobicContact CB-CG 4.02Å; F224-F358 AromaticContact CD1-CD2 3.53Å; F224-F358 HydrophobicContact CD1-CD2 3.53Å; F224-F358 AromaticContact CD1-CE2 4Å; F224-F358 HydrophobicContact CD1-CE2 4Å; F224-F358 HydrophobicContact CD1-CG 4.49Å; F224-F358 AromaticContact CD2-CD2 3.69Å; F224-F358 HydrophobicContact CD2-CD2 3.69Å; F224-F358 AromaticContact CD2-CE2 3.55Å; F224-F358 HydrophobicContact CD2-CE2 3.55Å; F224-F358 HydrophobicContact CD2-CG 4.48Å; F224-F358 HydrophobicContact CD2-CZ 4.25Å; F224-F358 HydrophobicContact CE1-CD2 4.06Å; F224-F358 HydrophobicContact CE1-CE2 4.13Å; F224-F358 HydrophobicContact CE2-CD2 4.21Å; F224-F358 AromaticContact CE2-CE2 3.71Å; F224-F358 HydrophobicContact CE2-CE2 3.71Å; F224-F358 HydrophobicContact CE2-CZ 4.47Å; F224-F358 HydrophobicContact CG-CB 4.46Å; F224-F358 AromaticContact CG-CD2 3.34Å; F224-F358 HydrophobicContact CG-CD2 3.34Å; F224-F358 AromaticContact CG-CE2 3.72Å; F224-F358 HydrophobicContact CG-CE2 3.72Å; F224-F358 HydrophobicContact CG-CG 4.05Å; F224-F358 HydrophobicContact CZ-CD2 4.39Å; F224-F358 HydrophobicContact CZ-CE2 4.02Å; F224-I359 HydrophobicContact CE1-CD1 4.44Å; F224-F389 HydrophobicContact CE1-CZ 4.2Å; F224-F389 HydrophobicContact CE2-CE1 4.14Å; F224-F389 HydrophobicContact CE2-CZ 4.05Å; F224-F389 HydrophobicContact CZ-CE1 4.06Å; F224-F389 AromaticContact CZ-CZ 3.5Å; F224-F389 HydrophobicContact CZ-CZ 3.5Å; F224-F389 VanDerWaalsContact CZ-CZ 3.5Å; F224-Y473 HydrophobicContact CE2-CD1 4.09Å; F224-Y473 HydrophobicContact CE2-CE1 4.27Å; F224-Y473 HydrophobicContact CE2-CG 4.25Å; F224-Y473 HydrophobicContact CZ-CD1 4.29Å; F224-Y473 HydrophobicContact CZ-CD2 4.28Å; F224-Y473 HydrophobicContact CZ-CE1 4.12Å; F224-Y473 HydrophobicContact CZ-CE2 4.12Å; F224-Y473 HydrophobicContact CZ-CG 4.35Å
225	E	92.2	Very high	94.9	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	27%	0.268	S	S	.	.	I	π-helix	trans	-59.8	-52.4	-178.7	-177.3	171.5	-162.9	0	0	110.9	N221 V222 D223 L229 L230	N221-E225 WeakPolarHBondContact O-CB 3.48Å; N221-E225 PolarHBondContact O-N 2.81Å; V222-E225 PolarHBondContact O-N 3.46Å; D223-E225 PolarHBondContact O-N 3.38Å; E225-L229 WeakPolarHBondContact O-CB 3.4Å; E225-L229 PolarHBondContact O-N 3.42Å; E225-L230 HydrophobicContact CG-CD1 4.01Å; E225-L230 HydrophobicContact CG-CG 4.06Å; E225-L230 WeakPolarHBondContact O-CB 3.38Å; E225-L230 WeakPolarHBondContact O-CG 3.44Å; E225-L230 PolarHBondContact O-N 3.14Å
226	V	90.5	Very high	94.9	Very high	70 Å²	70	44.8 Å²	44.8	42%	0.424	26%	0.259	S	S	.	.	I	π-helix	trans	-71.6	-45.4	-175.8	176	0	0	0	0	112.3	V222	V222-V226 HydrophobicContact CG1-CG2 4.31Å; V222-V226 WeakPolarHBondContact O-CG2 3.28Å; V222-V226 PolarHBondContact O-N 2.96Å
227	E	93.9	Very high	94.9	Very high	104 Å²	104	39.7 Å²	39.7	49%	0.486	22%	0.223	S	C	.	.	I	π-helix	trans	-86.6	-23.5	-168.8	-62.1	-170.3	176.1	0	0	114.3	D223 S231	D223-E227 VanDerWaalsContact O-CB 3.26Å; D223-E227 WeakPolarHBondContact O-CB 3.41Å; D223-E227 WeakPolarHBondContact O-CG 3.48Å; D223-E227 PolarHBondContact O-N 3.03Å; E227-S231 PolarHBondContact O-OG 2.74Å
228	Y	95.5	Very high	95.1	Very high	2 Å²	2	36 Å²	36	1%	0.008	20%	0.197	C	C	.	.	I	π-helix	trans	-126.3	-46.5	-174.9	-55.5	-69.7	0	0	0	113.7	E213 L215 F224 S231 S232 K233 V235	E213-Y228 PolarHBondContact OE1-OH 3.09Å; L215-Y228 HydrophobicContact CD1-CE2 3.83Å; L215-Y228 VanDerWaalsContact CD1-OH 3.23Å; L215-Y228 WeakPolarHBondContact CD1-OH 3.42Å; F224-Y228 HydrophobicContact CD2-CD2 4Å; F224-Y228 HydrophobicContact CD2-CG 4.44Å; F224-Y228 PolarHBondContact O-N 2.88Å; F224-Y228 VanDerWaalsContact O-N 3.09Å; Y228-S231 WeakPolarHBondContact CA-OG 3.37Å; Y228-S231 PolarHBondContact N-OG 3.22Å; Y228-S231 PolarHBondContact O-OG 2.94Å; Y228-S232 WeakPolarHBondContact O-CA 3.43Å; Y228-S232 PolarHBondContact O-N 2.79Å; Y228-S232 VanDerWaalsContact O-N 3.11Å; Y228-K233 HydrophobicContact CD1-CB 4.2Å; Y228-K233 HydrophobicContact CD1-CD 4.35Å; Y228-K233 HydrophobicContact CD1-CG 4.41Å; Y228-K233 HydrophobicContact CE1-CD 4.34Å; Y228-K233 PolarHBondContact O-N 3.49Å; Y228-V235 HydrophobicContact CD1-CB 3.6Å; Y228-V235 HydrophobicContact CD1-CG1 3.5Å; Y228-V235 HydrophobicContact CD1-CG2 4.22Å; Y228-V235 HydrophobicContact CD2-CG1 4.23Å; Y228-V235 HydrophobicContact CE1-CB 3.5Å; Y228-V235 VanDerWaalsContact CE1-CB 3.5Å; Y228-V235 HydrophobicContact CE1-CG1 3.8Å; Y228-V235 HydrophobicContact CE1-CG2 3.62Å; Y228-V235 HydrophobicContact CE2-CG1 4.47Å; Y228-V235 HydrophobicContact CG-CB 4.36Å; Y228-V235 HydrophobicContact CG-CG1 3.76Å
229	L	93.5	Very high	95.2	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.058	20%	0.2	C	C	.	.	I	π-helix	trans	-71	-57.7	-179	-175.5	62.8	0	0	0	111.5	F224 E225 S231 S232 M363 E387 Y473 F503	F224-L229 HydrophobicContact CD1-CB 4.48Å; F224-L229 HydrophobicContact CE1-CB 4Å; F224-L229 HydrophobicContact CZ-CB 4.46Å; F224-L229 PolarHBondContact O-N 2.98Å; E225-L229 WeakPolarHBondContact O-CB 3.4Å; E225-L229 PolarHBondContact O-N 3.42Å; L229-S231 VanDerWaalsContact C-N 3.32Å; L229-S231 PolarHBondContact O-N 2.93Å; L229-S232 PolarHBondContact O-N 2.93Å; L229-M363 HydrophobicContact CD1-CE 4.47Å; L229-M363 HydrophobicContact CD2-CE 3.9Å; L229-E387 HydrophobicContact CD1-CG 4.04Å; L229-Y473 WeakPolarHBondContact CD1-OH 3.38Å; L229-F503 HydrophobicContact CD1-CB 3.8Å; L229-F503 HydrophobicContact CD1-CG 4.44Å; L229-F503 HydrophobicContact CD2-CD2 4.38Å; L229-F503 HydrophobicContact CG-CB 4.14Å; L229-F503 HydrophobicContact CG-CD2 4.48Å; L229-F503 HydrophobicContact CG-CG 4.24Å
230	L	91.1	Very high	95.3	Very high	14 Å²	14	37 Å²	37	7%	0.073	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.4	-177.1	-65.6	-179.5	0	0	0	112.3	H158 E225 F503 W504	H158-L230 HydrophobicContact CB-CB 4.4Å; H158-L230 VanDerWaalsContact CE1-CD1 3.45Å; H158-L230 WeakPolarHBondContact CE1-CD1 3.45Å; E225-L230 HydrophobicContact CG-CD1 4.01Å; E225-L230 HydrophobicContact CG-CG 4.06Å; E225-L230 WeakPolarHBondContact O-CB 3.38Å; E225-L230 WeakPolarHBondContact O-CG 3.44Å; E225-L230 PolarHBondContact O-N 3.14Å; L230-F503 HydrophobicContact CD2-CD1 4.12Å; L230-F503 HydrophobicContact CD2-CD2 4.4Å; L230-F503 HydrophobicContact CD2-CE1 3.34Å; L230-F503 HydrophobicContact CD2-CE2 3.66Å; L230-F503 HydrophobicContact CD2-CZ 3.07Å; L230-W504 WeakPolarHBondContact O-CZ2 3.37Å; L230-W504 PolarHBondContact O-NE1 2.82Å; L230-W504 VanDerWaalsContact O-NE1 3.11Å
231	S	93.3	Very high	95.4	Very high	13 Å²	13	35.5 Å²	35.5	9%	0.091	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.5	176.1	69.5	0	0	0	0	113.6	L162 Y163 E227 Y228 L229 K233	L162-S231 WeakPolarHBondContact CA-O 3.45Å; Y163-S231 PolarHBondContact N-O 3.12Å; E227-S231 PolarHBondContact O-OG 2.74Å; Y228-S231 WeakPolarHBondContact CA-OG 3.37Å; Y228-S231 PolarHBondContact N-OG 3.22Å; Y228-S231 PolarHBondContact O-OG 2.94Å; L229-S231 VanDerWaalsContact C-N 3.32Å; L229-S231 PolarHBondContact O-N 2.93Å; S231-K233 VanDerWaalsContact C-N 3.31Å; S231-K233 PolarHBondContact O-N 2.98Å; S231-K233 WeakPolarHBondContact OG-CB 3.4Å; S231-K233 PolarHBondContact OG-N 3.48Å
232	S	95.8	Very high	95.5	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	48.1	-172.1	-167	0	0	0	0	112.5	Y228 L229 P475 W478	Y228-S232 WeakPolarHBondContact O-CA 3.43Å; Y228-S232 PolarHBondContact O-N 2.79Å; Y228-S232 VanDerWaalsContact O-N 3.11Å; L229-S232 PolarHBondContact O-N 2.93Å; S232-P475 WeakPolarHBondContact OG-CB 3.47Å; S232-W478 WeakPolarHBondContact O-CZ2 3.34Å; S232-W478 PolarHBondContact O-NE1 2.83Å; S232-W478 VanDerWaalsContact O-NE1 3.08Å; S232-W478 PolarHBondContact OG-NE1 2.8Å
233	K	97.3	Very high	95.7	Very high	54 Å²	54	36.9 Å²	36.9	24%	0.235	19%	0.191	C	C	.	.			trans	-105.2	121.8	-176.6	-170.2	-178.7	-173.8	-170.3	0	111.7	Y163 E213 Y228 S231 Y473	Y163-K233 HydrophobicContact CD1-CG 4.11Å; Y163-K233 HydrophobicContact CD2-CD 3.97Å; Y163-K233 HydrophobicContact CD2-CG 3.91Å; Y163-K233 HydrophobicContact CE2-CD 4.39Å; Y163-K233 HydrophobicContact CE2-CG 4.39Å; Y163-K233 HydrophobicContact CG-CB 4.14Å; Y163-K233 HydrophobicContact CG-CD 4.3Å; Y163-K233 HydrophobicContact CG-CG 3.75Å; E213-K233 VanDerWaalsContact OE2-CE 3.24Å; E213-K233 WeakPolarHBondContact OE2-CE 3.46Å; E213-K233 IonicContact OE2-NZ 3.68Å; E213-K233 PolarHBondContact OE2-NZ 3.47Å; Y228-K233 HydrophobicContact CD1-CB 4.2Å; Y228-K233 HydrophobicContact CD1-CD 4.35Å; Y228-K233 HydrophobicContact CD1-CG 4.41Å; Y228-K233 HydrophobicContact CE1-CD 4.34Å; Y228-K233 PolarHBondContact O-N 3.49Å; S231-K233 VanDerWaalsContact C-N 3.31Å; S231-K233 PolarHBondContact O-N 2.98Å; S231-K233 WeakPolarHBondContact OG-CB 3.4Å; S231-K233 PolarHBondContact OG-N 3.48Å; K233-Y473 WeakPolarHBondContact O-CD1 3.45Å
234	P	98.5	Very high	95.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.013	17%	0.171	C	C	.	.			trans	-63.8	141.7	171.8	-19.6	30.6	0	0	0	112.2	L462 Y473 P475 W478	P234-L462 HydrophobicContact CB-CD2 4.31Å; P234-L462 HydrophobicContact CG-CD2 4.3Å; P234-Y473 WeakPolarHBondContact CA-O 3.39Å; P234-P475 HydrophobicContact CG-CG 4.25Å; P234-W478 HydrophobicContact CG-CD2 3.65Å; P234-W478 HydrophobicContact CG-CE3 3.73Å; P234-W478 HydrophobicContact CG-CG 4.39Å; P234-W478 HydrophobicContact CG-CH2 3.78Å; P234-W478 HydrophobicContact CG-CZ2 3.72Å; P234-W478 HydrophobicContact CG-CZ3 3.78Å
235	V	98.6	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146.3	178.1	63.5	0	0	0	0	111.5	E213 L215 Y228 F237 Y473	E213-V235 HydrophobicContact CB-CG2 4.37Å; E213-V235 HydrophobicContact CG-CG2 4.43Å; L215-V235 HydrophobicContact CD1-CG2 4.18Å; L215-V235 HydrophobicContact CG-CG2 3.93Å; Y228-V235 HydrophobicContact CD1-CB 3.6Å; Y228-V235 HydrophobicContact CD1-CG1 3.5Å; Y228-V235 HydrophobicContact CD1-CG2 4.22Å; Y228-V235 HydrophobicContact CD2-CG1 4.23Å; Y228-V235 HydrophobicContact CE1-CB 3.5Å; Y228-V235 VanDerWaalsContact CE1-CB 3.5Å; Y228-V235 HydrophobicContact CE1-CG1 3.8Å; Y228-V235 HydrophobicContact CE1-CG2 3.62Å; Y228-V235 HydrophobicContact CE2-CG1 4.47Å; Y228-V235 HydrophobicContact CG-CB 4.36Å; Y228-V235 HydrophobicContact CG-CG1 3.76Å; V235-F237 HydrophobicContact CG1-CE1 3.93Å; V235-F237 HydrophobicContact CG1-CE2 4.03Å; V235-F237 HydrophobicContact CG1-CZ 3.53Å; V235-F237 HydrophobicContact CG2-CE1 4.49Å; V235-Y473 HydrophobicContact CG1-CD1 4.13Å; V235-Y473 PolarHBondContact N-O 3.29Å; V235-Y473 PolarHBondContact O-N 3.26Å
236	I	98.8	Very high	96.2	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.1	173	-59.9	170.1	0	0	0	109.5	C212 E213 E214 L215 K238 C464 I466 D470 I471 L472	C212-I236 HydrophobicContact CB-CD1 3.81Å; C212-I236 HydrophobicContact CB-CG1 3.96Å; E213-I236 PolarHBondContact O-N 3.48Å; E214-I236 CarbonylContact C-O 3.56Å; E214-I236 WeakPolarHBondContact CA-O 3.46Å; E214-I236 HydrophobicContact CG-CB 4.28Å; E214-I236 HydrophobicContact CG-CD1 4.43Å; L215-I236 PolarHBondContact N-O 3.28Å; I236-K238 HydrophobicContact CG2-CD 3.58Å; I236-K238 HydrophobicContact CG2-CG 4.37Å; I236-C464 HydrophobicContact CD1-CB 4.21Å; I236-I466 HydrophobicContact CD1-CG2 4.09Å; I236-I466 HydrophobicContact CG1-CG2 4.05Å; I236-I466 HydrophobicContact CG2-CG2 4.01Å; I236-D470 HydrophobicContact CG2-CB 4.02Å; I236-I471 CarbonylContact C-O 3.57Å; I236-I471 WeakPolarHBondContact CA-O 3.38Å; I236-L472 HydrophobicContact CG1-CD1 3.79Å
237	F	98.4	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	103.3	166.9	-50.7	-69.1	0	0	0	109.4	L215 L218 P219 F224 V235 A240 F358 F389 D470 I471	L215-F237 HydrophobicContact CB-CD1 4.21Å; L215-F237 HydrophobicContact CD1-CD1 4.19Å; L215-F237 HydrophobicContact CD1-CE1 3.93Å; L215-F237 CarbonylContact O-C 3.53Å; L218-F237 HydrophobicContact CD2-CB 3.69Å; L218-F237 HydrophobicContact CD2-CD1 3.83Å; L218-F237 HydrophobicContact CD2-CG 3.79Å; P219-F237 VanDerWaalsContact CD-CE1 3.44Å; P219-F237 HydrophobicContact CG-CE1 3.79Å; P219-F237 HydrophobicContact CG-CZ 4.36Å; F224-F237 HydrophobicContact CD2-CZ 4Å; F224-F237 HydrophobicContact CE2-CZ 4.02Å; V235-F237 HydrophobicContact CG1-CE1 3.93Å; V235-F237 HydrophobicContact CG1-CE2 4.03Å; V235-F237 HydrophobicContact CG1-CZ 3.53Å; V235-F237 HydrophobicContact CG2-CE1 4.49Å; F237-A240 HydrophobicContact CB-CB 3.73Å; F237-F358 HydrophobicContact CD2-CZ 4.35Å; F237-F358 HydrophobicContact CE1-CZ 4.4Å; F237-F358 HydrophobicContact CE2-CE2 4.49Å; F237-F358 AromaticContact CE2-CZ 3.73Å; F237-F358 HydrophobicContact CE2-CZ 3.73Å; F237-F358 HydrophobicContact CZ-CE1 4.33Å; F237-F358 HydrophobicContact CZ-CE2 4.38Å; F237-F358 AromaticContact CZ-CZ 3.75Å; F237-F358 HydrophobicContact CZ-CZ 3.75Å; F237-F389 HydrophobicContact CE2-CD1 4.37Å; F237-F389 HydrophobicContact CE2-CE1 4.03Å; F237-D470 WeakPolarHBondContact O-CA 3.33Å; F237-I471 HydrophobicContact CB-CB 4.36Å; F237-I471 HydrophobicContact CD2-CB 4.28Å; F237-I471 HydrophobicContact CD2-CG2 4.24Å; F237-I471 PolarHBondContact N-O 2.92Å; F237-I471 PolarHBondContact O-N 2.78Å
238	K	98.5	Very high	96.6	Very high	40 Å²	40	31.5 Å²	31.5	17%	0.174	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	131.9	-174.8	-61.3	-63	-71	-173.1	0	110.9	E214 L215 I236 A240 D470	E214-K238 HydrophobicContact CB-CD 4.18Å; E214-K238 HydrophobicContact CB-CG 3.9Å; E214-K238 HydrophobicContact CG-CD 4.12Å; E214-K238 HydrophobicContact CG-CG 4.41Å; E214-K238 IonicContact OE1-NZ 3.83Å; L215-K238 PolarHBondContact O-N 2.97Å; I236-K238 HydrophobicContact CG2-CD 3.58Å; I236-K238 HydrophobicContact CG2-CG 4.37Å; K238-A240 PolarHBondContact O-N 2.9Å; K238-D470 WeakPolarHBondContact CA-OD1 3.18Å; K238-D470 WeakPolarHBondContact CE-OD2 3.28Å; K238-D470 IonicContact NZ-OD1 3.3Å; K238-D470 IonicContact NZ-OD2 3.24Å; K238-D470 PolarHBondContact NZ-OD2 3.4Å
239	K	97.9	Very high	96.7	Very high	88 Å²	88	35.4 Å²	35.4	38%	0.383	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	16.3	176.7	-52.5	-51.5	179.1	-152.8	0	115.3	A241 T242 E467 P468 G469 D470	K239-A241 VanDerWaalsContact C-N 3.28Å; K239-A241 PolarHBondContact O-N 3.34Å; K239-T242 HydrophobicContact CB-CG2 3.77Å; K239-T242 HydrophobicContact CD-CG2 4.07Å; K239-T242 HydrophobicContact CG-CG2 4.43Å; K239-T242 WeakPolarHBondContact O-CB 3.18Å; K239-T242 WeakPolarHBondContact O-CG2 3.43Å; K239-T242 PolarHBondContact O-N 2.81Å; K239-T242 VanDerWaalsContact O-N 3.15Å; K239-T242 PolarHBondContact O-OG1 3.42Å; K239-E467 IonicContact NZ-OE2 3.63Å; K239-P468 PolarHBondContact NZ-O 3.07Å; K239-G469 CarbonylContact C-O 3.1Å; K239-G469 WeakPolarHBondContact CA-O 3.44Å; K239-G469 PolarHBondContact N-O 3.03Å; K239-D470 PolarHBondContact N-OD1 3.03Å; K239-D470 IonicContact NZ-OD1 3.4Å
240	A	97.2	Very high	96.9	Very high	16 Å²	16	34.9 Å²	34.9	13%	0.132	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.4	-176.6	0	0	0	0	0	114.3	L218 F237 K238 N243 G469 I471	L218-A240 HydrophobicContact CD2-CB 3.72Å; L218-A240 HydrophobicContact CG-CB 4.49Å; F237-A240 HydrophobicContact CB-CB 3.73Å; K238-A240 PolarHBondContact O-N 2.9Å; A240-N243 PolarHBondContact O-OD1 2.9Å; A240-G469 PolarHBondContact N-O 3.45Å; A240-I471 HydrophobicContact CB-CD1 3.76Å; A240-I471 HydrophobicContact CB-CG1 4.14Å
241	A	97.4	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.6	178.2	0	0	0	0	0	113.6	K239 N243 W244 F247 G469 I471	K239-A241 VanDerWaalsContact C-N 3.28Å; K239-A241 PolarHBondContact O-N 3.34Å; A241-N243 PolarHBondContact O-N 2.76Å; A241-W244 HydrophobicContact CB-CD2 3.89Å; A241-W244 HydrophobicContact CB-CE3 3.97Å; A241-W244 HydrophobicContact CB-CG 4.37Å; A241-W244 HydrophobicContact CB-CH2 4.43Å; A241-W244 HydrophobicContact CB-CZ2 4.36Å; A241-W244 HydrophobicContact CB-CZ3 4.24Å; A241-W244 WeakPolarHBondContact O-CB 3.18Å; A241-W244 PolarHBondContact O-N 3.07Å; A241-W244 VanDerWaalsContact O-N 3.08Å; A241-F247 WeakPolarHBondContact O-CB 3.2Å; A241-G469 PolarHBondContact N-O 2.81Å; A241-I471 HydrophobicContact CB-CD1 4.04Å; A241-I471 HydrophobicContact CB-CG1 4.02Å
242	T	96.9	Very high	97.1	Very high	59 Å²	59	36.9 Å²	36.9	36%	0.362	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.9	-172.4	55.8	0	0	0	0	114.2	K239 F247	K239-T242 HydrophobicContact CB-CG2 3.77Å; K239-T242 HydrophobicContact CD-CG2 4.07Å; K239-T242 HydrophobicContact CG-CG2 4.43Å; K239-T242 WeakPolarHBondContact O-CB 3.18Å; K239-T242 WeakPolarHBondContact O-CG2 3.43Å; K239-T242 PolarHBondContact O-N 2.81Å; K239-T242 VanDerWaalsContact O-N 3.15Å; K239-T242 PolarHBondContact O-OG1 3.42Å; T242-F247 HydrophobicContact CG2-CD1 4.44Å; T242-F247 HydrophobicContact CG2-CE1 4.02Å; T242-F247 HydrophobicContact CG2-CZ 4.07Å
243	N	94.7	Very high	97.1	Very high	123 Å²	123	43.9 Å²	43.9	66%	0.658	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.2	176.5	67.1	-16.4	0	0	0	113.5	A240 A241	A240-N243 PolarHBondContact O-OD1 2.9Å; A241-N243 PolarHBondContact O-N 2.76Å
244	W	97.6	Very high	97.1	Very high	9 Å²	9	43.5 Å²	43.5	3%	0.034	22%	0.219	C	C	.	.	S	Bend	trans	-71.1	139.3	177.5	-65.2	4.3	0	0	0	109.9	A241 A246 F247 L353 S354 C391 I471 F498	A241-W244 HydrophobicContact CB-CD2 3.89Å; A241-W244 HydrophobicContact CB-CE3 3.97Å; A241-W244 HydrophobicContact CB-CG 4.37Å; A241-W244 HydrophobicContact CB-CH2 4.43Å; A241-W244 HydrophobicContact CB-CZ2 4.36Å; A241-W244 HydrophobicContact CB-CZ3 4.24Å; A241-W244 WeakPolarHBondContact O-CB 3.18Å; A241-W244 PolarHBondContact O-N 3.07Å; A241-W244 VanDerWaalsContact O-N 3.08Å; W244-A246 HydrophobicContact CB-CB 4.46Å; W244-A246 PolarHBondContact O-N 2.81Å; W244-A246 VanDerWaalsContact O-N 3.15Å; W244-F247 WeakPolarHBondContact O-CB 3.43Å; W244-F247 PolarHBondContact O-N 3.4Å; W244-L353 HydrophobicContact CE3-CD2 3.73Å; W244-L353 HydrophobicContact CZ3-CD2 3.89Å; W244-S354 WeakPolarHBondContact CZ2-O 3.23Å; W244-C391 HydrophobicContact CH2-CB 4.11Å; W244-C391 VanDerWaalsContact CH2-SG 3.58Å; W244-C391 HydrophobicContact CZ3-CB 3.97Å; W244-I471 HydrophobicContact CH2-CD1 3.94Å; W244-I471 HydrophobicContact CZ2-CD1 3.7Å; W244-F498 AromaticContact CH2-CE2 3.62Å; W244-F498 HydrophobicContact CH2-CE2 3.62Å; W244-F498 HydrophobicContact CH2-CZ 4.05Å; W244-F498 AromaticContact CZ3-CE2 3.98Å; W244-F498 HydrophobicContact CZ3-CE2 3.98Å; W244-F498 HydrophobicContact CZ3-CZ 4.28Å
245	P	98.1	Very high	97	Very high	60 Å²	60	43.4 Å²	43.4	39%	0.39	22%	0.218	S	C	.	.	H	α-helix	trans	-51.3	-38.4	170.8	-25.9	32.1	0	0	0	112.2	F247 Q248 K249 D352	P245-F247 PolarHBondContact O-N 3.07Å; P245-Q248 PolarHBondContact O-N 2.65Å; P245-K249 WeakPolarHBondContact O-CB 3.46Å; P245-K249 PolarHBondContact O-N 3.02Å; P245-D352 HydrophobicContact CB-CB 3.98Å; P245-D352 VanDerWaalsContact CD-O 3.31Å; P245-D352 WeakPolarHBondContact CD-O 3.27Å
246	A	97.8	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.4	-35.3	177.8	0	0	0	0	0	113.3	W244 Q248 W250 D352 L353 L393	W244-A246 HydrophobicContact CB-CB 4.46Å; W244-A246 PolarHBondContact O-N 2.81Å; W244-A246 VanDerWaalsContact O-N 3.15Å; A246-Q248 VanDerWaalsContact C-N 3.3Å; A246-Q248 PolarHBondContact O-N 3.2Å; A246-W250 HydrophobicContact CB-CD2 3.79Å; A246-W250 VanDerWaalsContact CB-CE2 3.41Å; A246-W250 HydrophobicContact CB-CE3 4.29Å; A246-W250 HydrophobicContact CB-CG 4.24Å; A246-W250 HydrophobicContact CB-CH2 4.12Å; A246-W250 HydrophobicContact CB-CZ2 3.56Å; A246-W250 HydrophobicContact CB-CZ3 4.46Å; A246-W250 WeakPolarHBondContact O-CB 3.32Å; A246-W250 PolarHBondContact O-N 3.08Å; A246-D352 HydrophobicContact CB-CB 3.95Å; A246-D352 VanDerWaalsContact CB-O 3.29Å; A246-D352 WeakPolarHBondContact CB-O 3.48Å; A246-D352 PolarHBondContact N-O 3.44Å; A246-L353 HydrophobicContact CB-CD2 3.77Å; A246-L393 HydrophobicContact CB-CD1 4.29Å
247	F	97.2	Very high	96.9	Very high	28 Å²	28	56 Å²	56	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-32.1	-176.1	-169.4	-103.8	0	0	0	112.7	A241 T242 W244 P245 L393 R394 P468 G469	A241-F247 WeakPolarHBondContact O-CB 3.2Å; T242-F247 HydrophobicContact CG2-CD1 4.44Å; T242-F247 HydrophobicContact CG2-CE1 4.02Å; T242-F247 HydrophobicContact CG2-CZ 4.07Å; W244-F247 WeakPolarHBondContact O-CB 3.43Å; W244-F247 PolarHBondContact O-N 3.4Å; P245-F247 PolarHBondContact O-N 3.07Å; F247-L393 HydrophobicContact CD2-CD2 4.11Å; F247-R394 VanDerWaalsContact O-CZ 3.24Å; F247-R394 PolarHBondContact O-NH1 3.45Å; F247-R394 PolarHBondContact O-NH2 2.95Å; F247-P468 HydrophobicContact CE2-CB 4.01Å; F247-P468 HydrophobicContact CZ-CB 4.19Å; F247-G469 VanDerWaalsContact CE2-N 3.34Å
248	Q	95.5	Very high	96.8	Very high	134 Å²	134	58.6 Å²	58.6	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-99.1	-39.7	177.3	-64.3	-61.1	-25.2	0	0	112.4	P245 A246	P245-Q248 PolarHBondContact O-N 2.65Å; A246-Q248 VanDerWaalsContact C-N 3.3Å; A246-Q248 PolarHBondContact O-N 3.2Å
249	K	97.3	Very high	96.8	Very high	84 Å²	84	58 Å²	58	37%	0.365	29%	0.286	S	S	.	.	H	α-helix	trans	-76.1	-32.7	-168.8	-174.8	178.4	170.7	-154.5	0	113.9	P245 T251 F254 D352	P245-K249 WeakPolarHBondContact O-CB 3.46Å; P245-K249 PolarHBondContact O-N 3.02Å; K249-T251 PolarHBondContact O-N 3.11Å; K249-F254 HydrophobicContact CD-CE2 4.39Å; K249-F254 HydrophobicContact CD-CZ 4.23Å; K249-F254 VanDerWaalsContact CE-CE2 3.47Å; K249-F254 HydrophobicContact CG-CD1 4.25Å; K249-F254 HydrophobicContact CG-CD2 4.18Å; K249-F254 HydrophobicContact CG-CE1 4.17Å; K249-F254 HydrophobicContact CG-CE2 4.12Å; K249-F254 HydrophobicContact CG-CG 4.26Å; K249-F254 HydrophobicContact CG-CZ 4.13Å; K249-F254 WeakPolarHBondContact O-CB 3.38Å; K249-F254 WeakPolarHBondContact O-CD1 3.49Å; K249-F254 VanDerWaalsContact O-CG 3.25Å; K249-F254 WeakPolarHBondContact O-CG 3.34Å; K249-D352 WeakPolarHBondContact CD-OD1 3.43Å; K249-D352 WeakPolarHBondContact CD-OD2 3.46Å; K249-D352 WeakPolarHBondContact CE-OD2 3.26Å; K249-D352 IonicContact NZ-OD1 2.68Å; K249-D352 PolarHBondContact NZ-OD1 3.43Å; K249-D352 IonicContact NZ-OD2 2.78Å; K249-D352 PolarHBondContact NZ-OD2 3.23Å
250	W	96.8	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.			trans	-82.6	56.2	-169.8	-64.7	8.1	0	0	0	113.8	A246 F254 L255 I342 L349 D352 L353 I370 L393 R492 L494 V496	A246-W250 HydrophobicContact CB-CD2 3.79Å; A246-W250 VanDerWaalsContact CB-CE2 3.41Å; A246-W250 HydrophobicContact CB-CE3 4.29Å; A246-W250 HydrophobicContact CB-CG 4.24Å; A246-W250 HydrophobicContact CB-CH2 4.12Å; A246-W250 HydrophobicContact CB-CZ2 3.56Å; A246-W250 HydrophobicContact CB-CZ3 4.46Å; A246-W250 WeakPolarHBondContact O-CB 3.32Å; A246-W250 PolarHBondContact O-N 3.08Å; W250-F254 AromaticContact CD1-CE1 3.92Å; W250-L255 HydrophobicContact CB-CD1 4.41Å; W250-L255 HydrophobicContact CB-CD2 4.42Å; W250-L255 HydrophobicContact CB-CG 4.43Å; W250-L255 HydrophobicContact CG-CD2 4.45Å; W250-I342 HydrophobicContact CH2-CD1 4.06Å; W250-L349 HydrophobicContact CD2-CD2 4.39Å; W250-L349 HydrophobicContact CH2-CB 4Å; W250-L349 HydrophobicContact CH2-CD1 4.24Å; W250-L349 HydrophobicContact CZ2-CB 3.51Å; W250-L349 HydrophobicContact CZ2-CD1 4.17Å; W250-L349 HydrophobicContact CZ2-CD2 4.11Å; W250-L349 HydrophobicContact CZ2-CG 4.14Å; W250-L349 WeakPolarHBondContact CZ2-O 3.33Å; W250-L349 HydrophobicContact CZ3-CD1 4.43Å; W250-D352 HydrophobicContact CZ2-CB 4.05Å; W250-D352 PolarHBondContact NE1-OD2 2.63Å; W250-L353 HydrophobicContact CH2-CD1 4.3Å; W250-L353 HydrophobicContact CH2-CD2 3.74Å; W250-L353 HydrophobicContact CH2-CG 4.13Å; W250-L353 HydrophobicContact CZ2-CD2 3.98Å; W250-L353 HydrophobicContact CZ2-CG 4.19Å; W250-I370 HydrophobicContact CE3-CD1 4.48Å; W250-I370 HydrophobicContact CZ3-CD1 4.04Å; W250-L393 HydrophobicContact CE3-CD1 3.68Å; W250-L393 HydrophobicContact CZ3-CD1 3.72Å; W250-R492 PolarHBondContact O-NH2 2.85Å; W250-L494 HydrophobicContact CB-CD2 4.25Å; W250-L494 HydrophobicContact CE3-CD2 3.96Å; W250-V496 HydrophobicContact CH2-CG2 3.87Å; W250-V496 HydrophobicContact CZ3-CG2 3.56Å
251	T	95	Very high	96.8	Very high	47 Å²	47	60.4 Å²	60.4	29%	0.288	30%	0.302	S	S	.	.			trans	-74.4	160.8	170.6	67.8	0	0	0	0	111.1	K249 E253 F254 L255 E490	K249-T251 PolarHBondContact O-N 3.11Å; T251-E253 PolarHBondContact O-N 3.35Å; T251-F254 PolarHBondContact O-N 3.43Å; T251-F254 PolarHBondContact OG1-N 3.31Å; T251-F254 VanDerWaalsContact OG1-N 3.15Å; T251-L255 WeakPolarHBondContact O-CB 3.23Å; T251-L255 WeakPolarHBondContact O-CG 3.36Å; T251-L255 PolarHBondContact O-N 3.42Å; T251-E490 WeakPolarHBondContact CA-OE1 3.39Å
252	N	93.7	Very high	96.8	Very high	22 Å²	22	63.6 Å²	63.6	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-55.7	-36.4	172.5	-83.2	-19.9	0	0	0	113	R256 S325 E490 R492	N252-R256 WeakPolarHBondContact O-CB 3.26Å; N252-R256 PolarHBondContact O-N 2.81Å; N252-R256 PolarHBondContact O-NH1 3.06Å; N252-S325 PolarHBondContact ND2-OG 3.26Å; N252-E490 PolarHBondContact N-OE1 3.21Å; N252-R492 WeakPolarHBondContact OD1-CD 3.4Å; N252-R492 PolarHBondContact OD1-NE 3.48Å; N252-R492 VanDerWaalsContact OD1-NE 3.09Å
253	E	95.1	Very high	96.8	Very high	153 Å²	153	64.7 Å²	64.7	72%	0.715	32%	0.323	S	S	*	.	H	α-helix	trans	-65.2	-50.1	177.3	-174	-174.8	165.9	0	0	111.3	T251 R256 K257	T251-E253 PolarHBondContact O-N 3.35Å; E253-R256 PolarHBondContact O-N 3.28Å; E253-K257 WeakPolarHBondContact O-CB 3.37Å; E253-K257 PolarHBondContact O-N 3.23Å
254	F	97.4	Very high	97	Very high	47 Å²	47	59 Å²	59	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-47.6	178.8	168.1	-97.9	0	0	0	111.9	K249 W250 T251 K257 S258 L349	K249-F254 HydrophobicContact CD-CE2 4.39Å; K249-F254 HydrophobicContact CD-CZ 4.23Å; K249-F254 VanDerWaalsContact CE-CE2 3.47Å; K249-F254 HydrophobicContact CG-CD1 4.25Å; K249-F254 HydrophobicContact CG-CD2 4.18Å; K249-F254 HydrophobicContact CG-CE1 4.17Å; K249-F254 HydrophobicContact CG-CE2 4.12Å; K249-F254 HydrophobicContact CG-CG 4.26Å; K249-F254 HydrophobicContact CG-CZ 4.13Å; K249-F254 WeakPolarHBondContact O-CB 3.38Å; K249-F254 WeakPolarHBondContact O-CD1 3.49Å; K249-F254 VanDerWaalsContact O-CG 3.25Å; K249-F254 WeakPolarHBondContact O-CG 3.34Å; W250-F254 AromaticContact CD1-CE1 3.92Å; T251-F254 PolarHBondContact O-N 3.43Å; T251-F254 PolarHBondContact OG1-N 3.31Å; T251-F254 VanDerWaalsContact OG1-N 3.15Å; F254-K257 PolarHBondContact O-N 3.47Å; F254-S258 WeakPolarHBondContact CE2-OG 3.48Å; F254-S258 VanDerWaalsContact O-CB 3.3Å; F254-S258 WeakPolarHBondContact O-CB 3.45Å; F254-S258 PolarHBondContact O-N 3.23Å; F254-S258 PolarHBondContact O-OG 3.21Å; F254-L349 HydrophobicContact CE1-CD2 3.83Å; F254-L349 HydrophobicContact CZ-CD2 4.37Å
255	L	97.2	Very high	96.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-42.8	-179.6	-72.3	177.5	0	0	0	111.3	W250 T251 S258 F259 F317 L321 L349	W250-L255 HydrophobicContact CB-CD1 4.41Å; W250-L255 HydrophobicContact CB-CD2 4.42Å; W250-L255 HydrophobicContact CB-CG 4.43Å; W250-L255 HydrophobicContact CG-CD2 4.45Å; T251-L255 WeakPolarHBondContact O-CB 3.23Å; T251-L255 WeakPolarHBondContact O-CG 3.36Å; T251-L255 PolarHBondContact O-N 3.42Å; L255-S258 PolarHBondContact O-N 3.34Å; L255-F259 HydrophobicContact CD2-CD2 4.44Å; L255-F259 PolarHBondContact O-N 3.48Å; L255-F317 HydrophobicContact CB-CE1 3.97Å; L255-F317 HydrophobicContact CB-CZ 4.46Å; L255-L321 HydrophobicContact CB-CD1 4.2Å; L255-L349 HydrophobicContact CD2-CD1 4.15Å; L255-L349 HydrophobicContact CD2-CD2 4.33Å
256	R	96.7	Very high	96.9	Very high	83 Å²	83	59.5 Å²	59.5	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-47.8	174.7	179.7	-179.1	-76.8	94.4	-2.4	111.6	N252 E253 S258 G260 L321 D322	N252-R256 WeakPolarHBondContact O-CB 3.26Å; N252-R256 PolarHBondContact O-N 2.81Å; N252-R256 PolarHBondContact O-NH1 3.06Å; E253-R256 PolarHBondContact O-N 3.28Å; R256-S258 VanDerWaalsContact C-N 3.29Å; R256-S258 PolarHBondContact O-N 2.69Å; R256-G260 WeakPolarHBondContact O-CA 3.31Å; R256-G260 PolarHBondContact O-N 2.84Å; R256-L321 HydrophobicContact CB-CD1 3.91Å; R256-D322 IonicContact CZ-OD1 3.62Å; R256-D322 IonicContact NE-OD1 3.93Å; R256-D322 IonicContact NH2-OD1 2.61Å; R256-D322 PolarHBondContact NH2-OD1 2.66Å
257	K	97.9	Very high	96.9	Very high	184 Å²	184	61.3 Å²	61.3	80%	0.8	30%	0.298	S	S	*	.	H	α-helix	trans	-61.2	-40	179.8	-178.6	178.7	177.9	179.3	0	111.9	E253 F254	E253-K257 WeakPolarHBondContact O-CB 3.37Å; E253-K257 PolarHBondContact O-N 3.23Å; F254-K257 PolarHBondContact O-N 3.47Å
258	S	97.8	Very high	96.9	Very high	54 Å²	54	60.6 Å²	60.6	38%	0.378	30%	0.295	S	S	.	.	H	α-helix	trans	-82	-36.1	-173.8	-54.6	0	0	0	0	113	F254 L255 R256	F254-S258 WeakPolarHBondContact CE2-OG 3.48Å; F254-S258 VanDerWaalsContact O-CB 3.3Å; F254-S258 WeakPolarHBondContact O-CB 3.45Å; F254-S258 PolarHBondContact O-N 3.23Å; F254-S258 PolarHBondContact O-OG 3.21Å; L255-S258 PolarHBondContact O-N 3.34Å; R256-S258 VanDerWaalsContact C-N 3.29Å; R256-S258 PolarHBondContact O-N 2.69Å
259	F	97.8	Very high	96.9	Very high	28 Å²	28	54.2 Å²	54.2	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-133.6	4.3	-169.3	-54.4	-74.1	0	0	0	114.7	L255 N261 K262 F317 F346 S348 L349	L255-F259 HydrophobicContact CD2-CD2 4.44Å; L255-F259 PolarHBondContact O-N 3.48Å; F259-N261 PolarHBondContact O-N 2.96Å; F259-N261 VanDerWaalsContact O-N 3.12Å; F259-K262 WeakPolarHBondContact O-CB 3.4Å; F259-K262 PolarHBondContact O-N 3Å; F259-F317 HydrophobicContact CB-CD1 3.67Å; F259-F317 HydrophobicContact CB-CE1 4.02Å; F259-F317 WeakPolarHBondContact O-CB 3.41Å; F259-F346 HydrophobicContact CB-CD1 4.12Å; F259-F346 HydrophobicContact CB-CE1 4.01Å; F259-F346 AromaticContact CD1-CD1 3.71Å; F259-F346 HydrophobicContact CD1-CD1 3.71Å; F259-F346 HydrophobicContact CD1-CE1 4.38Å; F259-F346 AromaticContact CD2-CD1 3.97Å; F259-F346 HydrophobicContact CD2-CD1 3.97Å; F259-F346 HydrophobicContact CE1-CB 4.34Å; F259-F346 HydrophobicContact CE1-CD1 4.04Å; F259-F346 HydrophobicContact CE2-CD1 4.31Å; F259-F346 AromaticContact CG-CD1 3.66Å; F259-F346 HydrophobicContact CG-CD1 3.66Å; F259-F346 HydrophobicContact CG-CE1 4.07Å; F259-F346 HydrophobicContact CZ-CB 4.23Å; F259-F346 HydrophobicContact CZ-CD1 4.32Å; F259-S348 WeakPolarHBondContact CZ-OG 3.38Å; F259-L349 HydrophobicContact CE2-CD1 4.13Å; F259-L349 HydrophobicContact CE2-CD2 3.61Å; F259-L349 HydrophobicContact CE2-CG 3.79Å; F259-L349 HydrophobicContact CZ-CD2 4.03Å; F259-L349 HydrophobicContact CZ-CG 3.91Å
260	G	97.2	Very high	96.8	Very high	5 Å²	5	51.8 Å²	51.8	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.8	-172.7	0	0	0	0	0	114.1	R256 K262 F317 S318	R256-G260 WeakPolarHBondContact O-CA 3.31Å; R256-G260 PolarHBondContact O-N 2.84Å; G260-K262 VanDerWaalsContact C-N 3.25Å; G260-K262 PolarHBondContact O-N 3.29Å; G260-F317 PolarHBondContact O-N 3.42Å; G260-S318 PolarHBondContact O-N 2.84Å; G260-S318 PolarHBondContact O-OG 2.86Å
261	N	97.5	Very high	96.6	Very high	149 Å²	149	54.4 Å²	54.4	80%	0.797	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	0.1	179.2	-63.1	-19.7	0	0	0	114	F259	F259-N261 PolarHBondContact O-N 2.96Å; F259-N261 VanDerWaalsContact O-N 3.12Å
262	K	97.3	Very high	96.5	Very high	66 Å²	66	52.3 Å²	52.3	29%	0.287	26%	0.26	S	S	.	.	S	Bend	trans	-80.1	131.9	177.9	-166.6	-167.2	171.1	81.5	0	109.4	F259 G260 V264 F317 N345 F346	F259-K262 WeakPolarHBondContact O-CB 3.4Å; F259-K262 PolarHBondContact O-N 3Å; G260-K262 VanDerWaalsContact C-N 3.25Å; G260-K262 PolarHBondContact O-N 3.29Å; K262-V264 HydrophobicContact CD-CG1 4.45Å; K262-F317 WeakPolarHBondContact O-CB 3.46Å; K262-F317 PolarHBondContact O-N 3Å; K262-N345 VanDerWaalsContact CD-O 3.3Å; K262-N345 WeakPolarHBondContact CD-O 3.33Å; K262-N345 WeakPolarHBondContact CE-O 3.35Å; K262-N345 PolarHBondContact NZ-O 3.24Å; K262-F346 HydrophobicContact CD-CD1 4.32Å; K262-F346 HydrophobicContact CD-CE1 3.94Å
263	T	97.9	Very high	96.6	Very high	83 Å²	83	54 Å²	54	51%	0.509	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.6	166.6	-51.8	0	0	0	0	110.1	E314 T315	T263-E314 HydrophobicContact CG2-CB 4.07Å; T263-T315 CarbonylContact C-O 3.19Å; T263-T315 WeakPolarHBondContact CA-O 3.35Å
264	V	97.5	Very high	96.6	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.8	178.9	-68.1	0	0	0	0	110.9	K262 V266 E314 T315 F317 F320 L337 F346	K262-V264 HydrophobicContact CD-CG1 4.45Å; V264-V266 HydrophobicContact CG2-CG1 3.91Å; V264-E314 VanDerWaalsContact C-OE2 3.3Å; V264-T315 HydrophobicContact CG2-CG2 4.13Å; V264-T315 WeakPolarHBondContact CG2-O 2.96Å; V264-T315 PolarHBondContact N-O 2.87Å; V264-T315 PolarHBondContact O-N 3.13Å; V264-T315 VanDerWaalsContact O-N 3.08Å; V264-F317 HydrophobicContact CG1-CB 4.05Å; V264-F317 HydrophobicContact CG1-CD2 3.95Å; V264-F317 HydrophobicContact CG1-CG 4.3Å; V264-F317 HydrophobicContact CG2-CB 4.17Å; V264-F317 HydrophobicContact CG2-CD2 4.06Å; V264-F320 HydrophobicContact CG2-CB 4.48Å; V264-L337 HydrophobicContact CB-CD1 4.13Å; V264-F346 HydrophobicContact CG1-CE1 4.41Å; V264-F346 HydrophobicContact CG1-CZ 3.84Å
265	H	96.8	Very high	96.4	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.347	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.2	173.8	-172.5	84	0	0	0	109.8	K267 S312 E314	H265-K267 PolarHBondContact NE2-NZ 2.83Å; H265-S312 WeakPolarHBondContact CE1-CB 3.29Å; H265-S312 WeakPolarHBondContact NE2-CB 3.24Å; H265-E314 WeakPolarHBondContact CB-OE1 3.38Å; H265-E314 IonicContact CE1-OE1 3.81Å; H265-E314 IonicContact CG-OE1 2.73Å; H265-E314 PolarHBondContact N-OE2 3.47Å; H265-E314 IonicContact ND1-OE1 2.77Å; H265-E314 PolarHBondContact ND1-OE1 2.72Å
266	V	97.2	Very high	96.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	147.8	179.9	-58.3	0	0	0	0	110.9	V264 L268 S312 N313 T315 F320 L337	V264-V266 HydrophobicContact CG2-CG1 3.91Å; V266-L268 HydrophobicContact CG2-CD2 4.38Å; V266-S312 CarbonylContact O-C 3.52Å; V266-S312 WeakPolarHBondContact O-CA 3.16Å; V266-N313 HydrophobicContact CG2-CB 4.17Å; V266-N313 WeakPolarHBondContact CG2-O 3.41Å; V266-N313 PolarHBondContact N-O 2.86Å; V266-N313 PolarHBondContact O-N 3.04Å; V266-T315 HydrophobicContact CG1-CG2 3.98Å; V266-T315 HydrophobicContact CG2-CG2 3.88Å; V266-F320 HydrophobicContact CB-CD2 4.26Å; V266-F320 HydrophobicContact CB-CE2 4.38Å; V266-F320 HydrophobicContact CG1-CB 4.33Å; V266-F320 HydrophobicContact CG1-CD1 4.43Å; V266-F320 HydrophobicContact CG1-CD2 3.57Å; V266-F320 HydrophobicContact CG1-CE2 3.91Å; V266-F320 HydrophobicContact CG1-CG 3.85Å; V266-F320 HydrophobicContact CG1-CZ 4.47Å; V266-L337 HydrophobicContact CG1-CD1 4.34Å
267	K	97.7	Very high	96.1	Very high	39 Å²	39	42.9 Å²	42.9	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.9	170.9	-59.4	-50	-168.4	-179	0	110.6	H265 F274 P310 A311 A335 Y336 E338	H265-K267 PolarHBondContact NE2-NZ 2.83Å; K267-F274 HydrophobicContact CB-CD1 3.9Å; K267-F274 HydrophobicContact CB-CE1 3.76Å; K267-P310 HydrophobicContact CB-CB 3.96Å; K267-P310 HydrophobicContact CB-CG 3.65Å; K267-P310 HydrophobicContact CD-CG 3.99Å; K267-P310 HydrophobicContact CG-CG 3.77Å; K267-A311 CarbonylContact C-O 3.58Å; K267-A311 VanDerWaalsContact CA-O 3.22Å; K267-A311 WeakPolarHBondContact CA-O 3.4Å; K267-A335 CarbonylContact O-C 3.54Å; K267-A335 VanDerWaalsContact O-CA 3.26Å; K267-A335 WeakPolarHBondContact O-CA 3.46Å; K267-Y336 PolarHBondContact N-O 2.74Å; K267-Y336 PolarHBondContact O-N 2.8Å; K267-E338 HydrophobicContact CB-CG 4.27Å; K267-E338 HydrophobicContact CG-CG 3.49Å; K267-E338 VanDerWaalsContact CG-CG 3.49Å; K267-E338 WeakPolarHBondContact CG-OE1 3.35Å
268	L	96.8	Very high	96	Very high	12 Å²	12	36 Å²	36	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.1	-179.4	-57.1	176.3	0	0	0	109.6	V266 P310 A311 N313 S334 A335 Y422 F427	V266-L268 HydrophobicContact CG2-CD2 4.38Å; L268-P310 WeakPolarHBondContact O-CB 3.34Å; L268-A311 HydrophobicContact CB-CB 4.27Å; L268-A311 PolarHBondContact N-O 2.72Å; L268-A311 PolarHBondContact O-N 3.39Å; L268-N313 HydrophobicContact CD1-CB 3.85Å; L268-N313 HydrophobicContact CG-CB 4.46Å; L268-S334 WeakPolarHBondContact CA-O 3.42Å; L268-A335 HydrophobicContact CD2-CB 3.66Å; L268-Y422 HydrophobicContact CD1-CD1 3.64Å; L268-Y422 HydrophobicContact CD1-CE1 4.13Å; L268-Y422 HydrophobicContact CD1-CG 4.03Å; L268-F427 HydrophobicContact CB-CE1 3.97Å; L268-F427 HydrophobicContact CB-CZ 4.04Å
269	S	96.1	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139	175.4	170.5	0	0	0	0	109.8	N271 G272 I273 M333 S334	S269-N271 PolarHBondContact O-N 2.84Å; S269-N271 PolarHBondContact OG-N 2.77Å; S269-N271 PolarHBondContact OG-OD1 2.74Å; S269-N271 VanDerWaalsContact OG-OD1 3.06Å; S269-G272 PolarHBondContact OG-N 2.82Å; S269-I273 VanDerWaalsContact CB-O 3.28Å; S269-I273 WeakPolarHBondContact CB-O 3.32Å; S269-I273 PolarHBondContact OG-N 3Å; S269-I273 VanDerWaalsContact OG-N 3.09Å; S269-I273 PolarHBondContact OG-O 3.46Å; S269-M333 CarbonylContact O-C 3.46Å; S269-M333 VanDerWaalsContact O-CA 3.24Å; S269-M333 WeakPolarHBondContact O-CA 3.41Å; S269-S334 PolarHBondContact N-O 3.05Å; S269-S334 PolarHBondContact O-N 3.21Å
270	P	95	Very high	95.9	Very high	33 Å²	33	35.4 Å²	35.4	21%	0.214	19%	0.191	C	C	.	.	S	Bend	trans	-66.9	-23.9	177.8	25.9	-33.4	0	0	0	113.4	S332 M333 L420 F427	P270-S332 CarbonylContact O-C 3.39Å; P270-M333 PolarHBondContact O-N 2.93Å; P270-L420 HydrophobicContact CG-CD1 4.24Å; P270-F427 HydrophobicContact CB-CB 4.41Å; P270-F427 HydrophobicContact CB-CD1 4.4Å; P270-F427 HydrophobicContact CB-CD2 3.62Å; P270-F427 HydrophobicContact CB-CE2 3.9Å; P270-F427 HydrophobicContact CB-CG 3.89Å; P270-F427 HydrophobicContact CB-CZ 4.4Å; P270-F427 HydrophobicContact CG-CD1 4.37Å; P270-F427 HydrophobicContact CG-CD2 4.4Å; P270-F427 HydrophobicContact CG-CG 4.19Å
271	N	92.6	Very high	95.8	Very high	56 Å²	56	43.8 Å²	43.8	30%	0.299	23%	0.226	S	C	.	.	S	Bend	trans	-138.8	7.7	-166.1	59.3	6.6	0	0	0	113.6	S269 I273	S269-N271 PolarHBondContact O-N 2.84Å; S269-N271 PolarHBondContact OG-N 2.77Å; S269-N271 PolarHBondContact OG-OD1 2.74Å; S269-N271 VanDerWaalsContact OG-OD1 3.06Å; N271-I273 VanDerWaalsContact C-N 3.3Å; N271-I273 PolarHBondContact O-N 2.93Å; N271-I273 WeakPolarHBondContact OD1-CB 3.43Å; N271-I273 PolarHBondContact OD1-N 2.71Å
272	G	93.8	Very high	95.8	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	82.7	0.2	-178	0	0	0	0	0	114.6	S269 F274 N376 T377 L378	S269-G272 PolarHBondContact OG-N 2.82Å; G272-F274 VanDerWaalsContact O-CD2 3.3Å; G272-F274 WeakPolarHBondContact O-CD2 3.4Å; G272-N376 VanDerWaalsContact CA-O 3.24Å; G272-N376 WeakPolarHBondContact CA-O 3.42Å; G272-T377 CarbonylContact O-C 3.58Å; G272-T377 VanDerWaalsContact O-CA 3.28Å; G272-T377 WeakPolarHBondContact O-CA 2.89Å; G272-L378 PolarHBondContact O-N 3.3Å
273	I	94.7	Very high	95.8	Very high	57 Å²	57	38.2 Å²	38.2	29%	0.292	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.8	171.6	-53.7	179	0	0	0	107.9	S269 N271 L378	S269-I273 VanDerWaalsContact CB-O 3.28Å; S269-I273 WeakPolarHBondContact CB-O 3.32Å; S269-I273 PolarHBondContact OG-N 3Å; S269-I273 VanDerWaalsContact OG-N 3.09Å; S269-I273 PolarHBondContact OG-O 3.46Å; N271-I273 VanDerWaalsContact C-N 3.3Å; N271-I273 PolarHBondContact O-N 2.93Å; N271-I273 WeakPolarHBondContact OD1-CB 3.43Å; N271-I273 PolarHBondContact OD1-N 2.71Å; I273-L378 HydrophobicContact CG1-CD2 4.27Å
274	F	95.8	Very high	95.7	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-18.5	-178.4	-76.8	-95	0	0	0	112.7	K267 G272 P310 Y336 T377 L378	K267-F274 HydrophobicContact CB-CD1 3.9Å; K267-F274 HydrophobicContact CB-CE1 3.76Å; G272-F274 VanDerWaalsContact O-CD2 3.3Å; G272-F274 WeakPolarHBondContact O-CD2 3.4Å; F274-P310 HydrophobicContact CD1-CB 3.78Å; F274-P310 HydrophobicContact CD1-CG 3.97Å; F274-P310 HydrophobicContact CE1-CB 4.28Å; F274-P310 WeakPolarHBondContact O-CD 3.37Å; F274-Y336 HydrophobicContact CB-CD1 4.45Å; F274-Y336 AromaticContact CD1-CD1 3.94Å; F274-Y336 HydrophobicContact CD1-CD1 3.94Å; F274-Y336 HydrophobicContact CD1-CG 4.41Å; F274-Y336 HydrophobicContact CD2-CD1 4.18Å; F274-Y336 HydrophobicContact CE1-CD1 4.28Å; F274-Y336 HydrophobicContact CE1-CG 4.32Å; F274-Y336 AromaticContact CG-CD1 3.9Å; F274-Y336 HydrophobicContact CG-CD1 3.9Å; F274-Y336 VanDerWaalsContact CZ-CB 3.49Å; F274-Y336 HydrophobicContact CZ-CG 4.48Å; F274-T377 HydrophobicContact CD2-CG2 3.92Å; F274-T377 HydrophobicContact CE2-CG2 3.57Å; F274-T377 HydrophobicContact CZ-CG2 4.28Å; F274-L378 PolarHBondContact N-O 2.81Å
275	E	92.5	Very high	95.5	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	132.5	176.9	-167.1	170.8	-127.6	0	0	109.2	L307 R309 K380 H382 M440	E275-L307 HydrophobicContact CG-CD1 4.03Å; E275-R309 IonicContact OE1-CZ 3.46Å; E275-R309 IonicContact OE1-NH1 3.58Å; E275-R309 PolarHBondContact OE1-NH1 2.99Å; E275-K380 VanDerWaalsContact O-CB 3.24Å; E275-K380 WeakPolarHBondContact O-CB 3.5Å; E275-K380 VanDerWaalsContact O-CG 3.26Å; E275-K380 WeakPolarHBondContact O-CG 3.49Å; E275-K380 PolarHBondContact O-N 2.91Å; E275-H382 IonicContact OE2-CD2 2.76Å; E275-H382 IonicContact OE2-CE1 3.15Å; E275-H382 PolarHBondContact OE2-CE1 2.99Å; E275-H382 IonicContact OE2-CG 3.81Å; E275-H382 IonicContact OE2-ND1 2.7Å; E275-H382 PolarHBondContact OE2-ND1 2.94Å; E275-H382 IonicContact OE2-NE2 3.18Å; E275-M440 HydrophobicContact CG-CE 3.6Å; E275-M440 HydrophobicContact CG-SD 4.37Å
276	G	93.8	Very high	95.2	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.4	174.1	-177.2	0	0	0	0	0	112.1	L307 V308	G276-L307 WeakPolarHBondContact O-CD1 3.45Å; G276-V308 PolarHBondContact O-N 2.99Å
277	V	95.5	Very high	94.9	Very high	27 Å²	27	41.9 Å²	41.9	16%	0.164	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.6	-175.9	-62.2	0	0	0	0	112.7	L305 V306 I415 P442	V277-L305 HydrophobicContact CB-CB 4.46Å; V277-L305 HydrophobicContact CB-CD1 4.22Å; V277-L305 HydrophobicContact CG2-CD1 4.12Å; V277-V306 VanDerWaalsContact CA-O 3.23Å; V277-V306 WeakPolarHBondContact CA-O 3.42Å; V277-I415 HydrophobicContact CG1-CD1 3.53Å; V277-I415 HydrophobicContact CG1-CG2 4.46Å; V277-P442 HydrophobicContact CG2-CB 4.44Å
278	E	95.8	Very high	94.5	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.8	169.3	-74.4	-178.3	172.5	0	0	110.3	W283 L305 V306 V308 R429	E278-W283 PolarHBondContact OE2-NE1 2.66Å; E278-L305 CarbonylContact O-C 3.55Å; E278-L305 WeakPolarHBondContact O-CA 3.33Å; E278-V306 HydrophobicContact CB-CG2 4.4Å; E278-V306 PolarHBondContact N-O 3.09Å; E278-V306 PolarHBondContact O-N 3.21Å; E278-V308 HydrophobicContact CB-CG2 3.73Å; E278-V308 HydrophobicContact CG-CG2 3.62Å; E278-R429 IonicContact OE1-CZ 3.47Å; E278-R429 IonicContact OE1-NE 3.89Å; E278-R429 PolarHBondContact OE1-NE 3.35Å; E278-R429 IonicContact OE1-NH2 3.53Å; E278-R429 PolarHBondContact OE1-NH2 3.5Å; E278-R429 IonicContact OE2-CZ 2.62Å; E278-R429 IonicContact OE2-NE 3.61Å; E278-R429 PolarHBondContact OE2-NE 3.21Å; E278-R429 IonicContact OE2-NH2 2.61Å
279	P	96.4	Very high	94	Very high	48 Å²	48	43.2 Å²	43.2	31%	0.312	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.3	172.6	-22.5	33.5	0	0	0	112.6	K281 D282	P279-K281 HydrophobicContact CB-CG 3.82Å; P279-K281 PolarHBondContact O-N 3.11Å; P279-K281 VanDerWaalsContact O-N 3.14Å; P279-D282 WeakPolarHBondContact CD-OD2 3.26Å; P279-D282 WeakPolarHBondContact CG-OD2 3.43Å; P279-D282 WeakPolarHBondContact O-CB 3.24Å; P279-D282 PolarHBondContact O-N 3.35Å
280	V	95.9	Very high	93.6	Very high	22 Å²	22	49.7 Å²	49.7	13%	0.133	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-54.1	-36	175.4	166.5	0	0	0	0	112.2	D282 W283 V285 L289 E304 V306	V280-D282 PolarHBondContact O-N 3.15Å; V280-D282 VanDerWaalsContact O-N 3.15Å; V280-W283 WeakPolarHBondContact O-CB 3.37Å; V280-W283 PolarHBondContact O-N 2.9Å; V280-V285 HydrophobicContact CG1-CG2 4.46Å; V280-L289 HydrophobicContact CG1-CD1 3.53Å; V280-E304 VanDerWaalsContact CG2-C 3.47Å; V280-E304 WeakPolarHBondContact CG2-O 3.49Å; V280-E304 PolarHBondContact N-O 2.6Å; V280-V306 HydrophobicContact CG2-CG1 3.61Å
281	K	96.1	Very high	93.3	Very high	181 Å²	181	56.4 Å²	56.4	79%	0.787	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.9	179.8	65.7	172.2	-171.6	178.4	0	113.9	P279	P279-K281 HydrophobicContact CB-CG 3.82Å; P279-K281 PolarHBondContact O-N 3.11Å; P279-K281 VanDerWaalsContact O-N 3.14Å
282	D	96.5	Very high	93.1	Very high	85 Å²	85	54.9 Å²	54.9	46%	0.455	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-86.1	-0.6	178.5	-58.6	-21.7	0	0	0	111.6	P279 V280 R429	P279-D282 WeakPolarHBondContact CD-OD2 3.26Å; P279-D282 WeakPolarHBondContact CG-OD2 3.43Å; P279-D282 WeakPolarHBondContact O-CB 3.24Å; P279-D282 PolarHBondContact O-N 3.35Å; V280-D282 PolarHBondContact O-N 3.15Å; V280-D282 VanDerWaalsContact O-N 3.15Å; D282-R429 WeakPolarHBondContact O-CD 3.4Å
283	W	96.8	Very high	92.8	Very high	13 Å²	13	57.9 Å²	57.9	5%	0.049	31%	0.311	C	S	.	.	S	Bend	trans	-116.3	134.6	-179.1	-70.8	69.5	0	0	0	111.4	E278 V280 V285 V306 V308 A418 L420 R429	E278-W283 PolarHBondContact OE2-NE1 2.66Å; V280-W283 WeakPolarHBondContact O-CB 3.37Å; V280-W283 PolarHBondContact O-N 2.9Å; W283-V285 HydrophobicContact CB-CB 4.44Å; W283-V285 HydrophobicContact CB-CG1 4.04Å; W283-V285 HydrophobicContact CB-CG2 3.65Å; W283-V285 HydrophobicContact CE3-CG1 4.31Å; W283-V285 PolarHBondContact O-N 3.05Å; W283-V306 HydrophobicContact CD2-CG2 4.05Å; W283-V306 HydrophobicContact CG-CG2 4.04Å; W283-V306 HydrophobicContact CZ2-CG2 4.32Å; W283-V308 HydrophobicContact CH2-CG1 4.06Å; W283-V308 HydrophobicContact CZ2-CB 4.17Å; W283-V308 HydrophobicContact CZ2-CG1 3.7Å; W283-V308 HydrophobicContact CZ2-CG2 3.58Å; W283-A418 HydrophobicContact CD2-CB 3.91Å; W283-A418 HydrophobicContact CE3-CB 3.56Å; W283-A418 HydrophobicContact CH2-CB 3.67Å; W283-A418 HydrophobicContact CZ2-CB 4.03Å; W283-A418 HydrophobicContact CZ3-CB 3.43Å; W283-A418 VanDerWaalsContact CZ3-CB 3.43Å; W283-L420 HydrophobicContact CH2-CD2 3.69Å; W283-L420 HydrophobicContact CH2-CG 4.01Å; W283-L420 HydrophobicContact CZ2-CD2 3.97Å; W283-L420 HydrophobicContact CZ2-CG 4.48Å; W283-R429 HydrophobicContact CB-CB 4.43Å; W283-R429 HydrophobicContact CD2-CB 3.56Å; W283-R429 HydrophobicContact CD2-CG 3.93Å; W283-R429 VanDerWaalsContact CE3-C 3.49Å; W283-R429 HydrophobicContact CE3-CB 3.62Å; W283-R429 HydrophobicContact CE3-CG 4.19Å; W283-R429 HydrophobicContact CG-CB 3.95Å; W283-R429 HydrophobicContact CG-CG 4.48Å; W283-R429 HydrophobicContact CH2-CB 4.36Å; W283-R429 HydrophobicContact CH2-CG 4.09Å; W283-R429 HydrophobicContact CZ2-CB 4.28Å; W283-R429 HydrophobicContact CZ2-CG 3.77Å; W283-R429 HydrophobicContact CZ3-CB 4.03Å; W283-R429 HydrophobicContact CZ3-CG 4.27Å
284	N	96.1	Very high	92.4	Very high	131 Å²	131	58 Å²	58	70%	0.701	32%	0.32	S	S	*	.	S	Bend	trans	-82.9	67.6	174.5	-176.1	27.8	0	0	0	111	R429	N284-R429 PolarHBondContact N-O 3.14Å
285	V	93.8	Very high	91.8	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	33%	0.329	C	S	.	.			trans	-127	14.2	-170.3	-68.4	0	0	0	0	113.8	V280 W283 G287 D288 L289 L432	V280-V285 HydrophobicContact CG1-CG2 4.46Å; W283-V285 HydrophobicContact CB-CB 4.44Å; W283-V285 HydrophobicContact CB-CG1 4.04Å; W283-V285 HydrophobicContact CB-CG2 3.65Å; W283-V285 HydrophobicContact CE3-CG1 4.31Å; W283-V285 PolarHBondContact O-N 3.05Å; V285-G287 PolarHBondContact O-N 3.39Å; V285-D288 HydrophobicContact CB-CB 4.41Å; V285-D288 PolarHBondContact O-N 2.84Å; V285-L289 HydrophobicContact CG2-CD1 4.11Å; V285-L289 HydrophobicContact CG2-CG 4.25Å; V285-L289 WeakPolarHBondContact O-CG 3.21Å; V285-L289 PolarHBondContact O-N 3.44Å; V285-L432 HydrophobicContact CB-CD1 4.25Å; V285-L432 HydrophobicContact CB-CD2 4.04Å; V285-L432 HydrophobicContact CB-CG 3.81Å; V285-L432 HydrophobicContact CG1-CD2 3.89Å; V285-L432 HydrophobicContact CG1-CG 3.85Å; V285-L432 HydrophobicContact CG2-CD2 4.07Å; V285-L432 HydrophobicContact CG2-CG 4.29Å
286	A	90.5	Very high	91.5	Very high	68 Å²	68	59.9 Å²	59.9	56%	0.562	33%	0.33	S	S	*	.	H	α-helix	trans	-53.8	-41.9	-177.5	0	0	0	0	0	112.6	L289 L290	A286-L289 PolarHBondContact O-N 3.08Å; A286-L290 WeakPolarHBondContact O-CG 3.39Å; A286-L290 PolarHBondContact O-N 2.79Å
287	G	90.1	Very high	91.2	Very high	41 Å²	41	65.3 Å²	65.3	42%	0.423	35%	0.35	S	S	.	.	H	α-helix	trans	-66.3	-35.4	176.2	0	0	0	0	0	113.7	V285	V285-G287 PolarHBondContact O-N 3.39Å
288	D	89.8	Confident	90.8	Very high	34 Å²	34	72.2 Å²	72.2	18%	0.182	37%	0.373	C	S	.	.	H	α-helix	trans	-72.6	-39.9	177.9	-71	-12.6	0	0	0	111.3	V285 L290 R291 L432	V285-D288 HydrophobicContact CB-CB 4.41Å; V285-D288 PolarHBondContact O-N 2.84Å; D288-L290 VanDerWaalsContact C-N 3.25Å; D288-L290 PolarHBondContact O-N 3.02Å; D288-R291 WeakPolarHBondContact O-CB 3.43Å; D288-R291 PolarHBondContact O-N 2.77Å; D288-R291 IonicContact OD1-CZ 2.86Å; D288-R291 IonicContact OD1-NH1 3.28Å; D288-R291 PolarHBondContact OD1-NH1 3.36Å; D288-R291 IonicContact OD1-NH2 2.61Å; D288-L432 HydrophobicContact CB-CB 3.98Å; D288-L432 HydrophobicContact CB-CD1 3.76Å; D288-L432 HydrophobicContact CB-CG 3.83Å; D288-L432 PolarHBondContact OD2-N 3.1Å; D288-L432 VanDerWaalsContact OD2-N 3.12Å
289	L	87.9	Confident	90.3	Very high	44 Å²	44	73.9 Å²	73.9	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-35.2	176.1	-69.8	169.1	0	0	0	112.6	V280 V285 A286 R291 I292 L432	V280-L289 HydrophobicContact CG1-CD1 3.53Å; V285-L289 HydrophobicContact CG2-CD1 4.11Å; V285-L289 HydrophobicContact CG2-CG 4.25Å; V285-L289 WeakPolarHBondContact O-CG 3.21Å; V285-L289 PolarHBondContact O-N 3.44Å; A286-L289 PolarHBondContact O-N 3.08Å; L289-R291 PolarHBondContact O-N 2.94Å; L289-I292 HydrophobicContact CD2-CD1 3.95Å; L289-I292 PolarHBondContact O-N 3.18Å; L289-L432 HydrophobicContact CD2-CD1 3.62Å; L289-L432 HydrophobicContact CG-CD1 3.92Å
290	L	87.7	Confident	90	Very high	136 Å²	136	72.7 Å²	72.7	71%	0.712	37%	0.371	S	S	*	.	H	α-helix	trans	-66.4	-24.1	175.8	-71	173.8	0	0	0	112.9	A286 D288	A286-L290 WeakPolarHBondContact O-CG 3.39Å; A286-L290 PolarHBondContact O-N 2.79Å; D288-L290 VanDerWaalsContact C-N 3.25Å; D288-L290 PolarHBondContact O-N 3.02Å
291	R	88.3	Confident	89.7	Confident	174 Å²	174	76.9 Å²	76.9	66%	0.657	39%	0.389	S	S	*	.	H	α-helix	trans	-82.9	-13.8	178.2	-60.3	178.3	-164.5	139.5	7.2	112.9	D288 L289 P293	D288-R291 WeakPolarHBondContact O-CB 3.43Å; D288-R291 PolarHBondContact O-N 2.77Å; D288-R291 IonicContact OD1-CZ 2.86Å; D288-R291 IonicContact OD1-NH1 3.28Å; D288-R291 PolarHBondContact OD1-NH1 3.36Å; D288-R291 IonicContact OD1-NH2 2.61Å; L289-R291 PolarHBondContact O-N 2.94Å; R291-P293 WeakPolarHBondContact O-CD 3.36Å
292	I	87.5	Confident	89.5	Confident	24 Å²	24	69.1 Å²	69.1	12%	0.123	36%	0.356	C	S	.	.	S	Bend	trans	-69	121.6	177.2	-55.2	178.4	0	0	0	108.6	L289 A294 V296 R297 V416 L432	L289-I292 HydrophobicContact CD2-CD1 3.95Å; L289-I292 PolarHBondContact O-N 3.18Å; I292-A294 PolarHBondContact O-N 3.23Å; I292-V296 HydrophobicContact CG2-CB 3.81Å; I292-V296 HydrophobicContact CG2-CG1 3.7Å; I292-R297 HydrophobicContact CB-CG 3.94Å; I292-R297 HydrophobicContact CG2-CG 3.58Å; I292-R297 PolarHBondContact O-NE 3.14Å; I292-V416 HydrophobicContact CD1-CG2 3.91Å; I292-L432 HydrophobicContact CD1-CD1 4.12Å
293	P	86.8	Confident	89.3	Confident	65 Å²	65	69 Å²	69	42%	0.422	36%	0.359	S	S	.	.			trans	-54.6	143.3	179	-27.8	37	0	0	0	112	L108 R291 E295 V296 R297	L108-P293 HydrophobicContact CD2-CB 4.36Å; L108-P293 HydrophobicContact CD2-CG 4.12Å; R291-P293 WeakPolarHBondContact O-CD 3.36Å; P293-E295 PolarHBondContact O-N 3.12Å; P293-E295 VanDerWaalsContact O-N 3.14Å; P293-V296 HydrophobicContact CB-CG2 4.2Å; P293-V296 HydrophobicContact CG-CG2 4.31Å; P293-V296 PolarHBondContact O-N 3.35Å; P293-R297 PolarHBondContact O-N 2.88Å
294	A	87.1	Confident	89.1	Confident	59 Å²	59	72.2 Å²	72.2	49%	0.488	38%	0.375	S	S	.	.	H	α-helix	trans	-56.3	-32.8	179.1	0	0	0	0	0	112.4	I292 R298	I292-A294 PolarHBondContact O-N 3.23Å; A294-R298 WeakPolarHBondContact O-CG 3.2Å; A294-R298 PolarHBondContact O-N 3.12Å
295	E	83.9	Confident	89.1	Confident	44 Å²	44	66.6 Å²	66.6	21%	0.206	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-46.4	174.2	179.5	151	-114.4	0	0	113.1	K109 P293 R297 R298 H299	K109-E295 WeakPolarHBondContact CB-OE2 3.38Å; K109-E295 WeakPolarHBondContact CD-OE1 3.21Å; K109-E295 WeakPolarHBondContact CE-OE1 3.25Å; K109-E295 WeakPolarHBondContact CG-OE1 3.45Å; K109-E295 WeakPolarHBondContact CG-OE2 3.32Å; K109-E295 IonicContact NZ-OE1 2.72Å; K109-E295 PolarHBondContact NZ-OE1 3.16Å; P293-E295 PolarHBondContact O-N 3.12Å; P293-E295 VanDerWaalsContact O-N 3.14Å; E295-R297 PolarHBondContact O-N 3.24Å; E295-R298 PolarHBondContact O-N 2.99Å; E295-R298 IonicContact OE1-NH2 3.27Å; E295-R298 PolarHBondContact OE1-NH2 2.86Å; E295-H299 PolarHBondContact O-CE1 3.19Å; E295-H299 PolarHBondContact O-ND1 3.49Å
296	V	86.1	Confident	89.1	Confident	18 Å²	18	66.5 Å²	66.5	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-44.7	177.3	176.7	0	0	0	0	110.3	L107 L108 I292 P293 R298 H299	L107-V296 HydrophobicContact CB-CB 4.43Å; L107-V296 HydrophobicContact CB-CG1 4.08Å; L107-V296 HydrophobicContact CB-CG2 4.12Å; L107-V296 HydrophobicContact CD1-CG1 3.81Å; L108-V296 HydrophobicContact CD2-CG2 3.44Å; L108-V296 VanDerWaalsContact CD2-CG2 3.44Å; L108-V296 HydrophobicContact CG-CG2 3.91Å; I292-V296 HydrophobicContact CG2-CB 3.81Å; I292-V296 HydrophobicContact CG2-CG1 3.7Å; P293-V296 HydrophobicContact CB-CG2 4.2Å; P293-V296 HydrophobicContact CG-CG2 4.31Å; P293-V296 PolarHBondContact O-N 3.35Å; V296-R298 PolarHBondContact O-N 3.04Å; V296-H299 PolarHBondContact O-N 3.36Å
297	R	86.8	Confident	89.4	Confident	117 Å²	117	63.3 Å²	63.3	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-57.9	-33.5	179.6	-71	-173.9	-70.6	-177.1	0.8	113.5	I292 P293 E295 H299 L300	I292-R297 HydrophobicContact CB-CG 3.94Å; I292-R297 HydrophobicContact CG2-CG 3.58Å; I292-R297 PolarHBondContact O-NE 3.14Å; P293-R297 PolarHBondContact O-N 2.88Å; E295-R297 PolarHBondContact O-N 3.24Å; R297-H299 PolarHBondContact O-N 3.33Å; R297-L300 PolarHBondContact O-N 3.27Å
298	R	86.6	Confident	89.6	Confident	172 Å²	172	62 Å²	62	65%	0.649	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-17.4	177.6	-74	-176.3	-59.3	136.8	5.5	113.9	A294 E295 V296	A294-R298 WeakPolarHBondContact O-CG 3.2Å; A294-R298 PolarHBondContact O-N 3.12Å; E295-R298 PolarHBondContact O-N 2.99Å; E295-R298 IonicContact OE1-NH2 3.27Å; E295-R298 PolarHBondContact OE1-NH2 2.86Å; V296-R298 PolarHBondContact O-N 3.04Å
299	H	86.6	Confident	89.9	Confident	74 Å²	74	62 Å²	62	34%	0.343	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-5.8	179.6	-59.8	94.8	0	0	0	113.1	L107 E295 V296 R297 H301	L107-H299 HydrophobicContact CD1-CB 4.47Å; L107-H299 HydrophobicContact CD2-CB 3.46Å; L107-H299 VanDerWaalsContact CD2-CB 3.46Å; L107-H299 HydrophobicContact CG-CB 4.49Å; E295-H299 PolarHBondContact O-CE1 3.19Å; E295-H299 PolarHBondContact O-ND1 3.49Å; V296-H299 PolarHBondContact O-N 3.36Å; R297-H299 PolarHBondContact O-N 3.33Å; H299-H301 PolarHBondContact O-N 3.31Å; H299-H301 PolarHBondContact O-ND1 3.47Å
300	L	89.1	Confident	90.3	Very high	22 Å²	22	60 Å²	60	12%	0.115	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-73.2	117.1	175.3	-60.3	-178.5	0	0	0	109	L107 R297 P303 V416 A437	L107-L300 HydrophobicContact CD1-CD2 4.41Å; R297-L300 PolarHBondContact O-N 3.27Å; L300-P303 HydrophobicContact CB-CB 4.39Å; L300-V416 HydrophobicContact CD1-CB 4.45Å; L300-A437 HydrophobicContact CD2-CB 4.02Å
301	H	90.3	Very high	90.7	Very high	110 Å²	110	53.6 Å²	53.6	51%	0.509	26%	0.255	S	S	.	.	S	Bend	trans	-80	-26.9	-178.3	-70.5	65	0	0	0	111.7	H299 Y414	H299-H301 PolarHBondContact O-N 3.31Å; H299-H301 PolarHBondContact O-ND1 3.47Å; H301-Y414 PolarHBondContact N-O 2.03Å; H301-Y414 VanDerWaalsContact N-O 3.13Å
302	H	91.1	Very high	91	Very high	18 Å²	18	47.7 Å²	47.7	8%	0.083	24%	0.241	C	C	.	.			trans	-127.7	66.8	179.7	-52.4	-75.5	0	0	0	110.4	E304 L305 H411 I415	H302-E304 VanDerWaalsContact CA-OE2 3.26Å; H302-E304 WeakPolarHBondContact CA-OE2 3.32Å; H302-E304 PolarHBondContact O-N 3.45Å; H302-E304 VanDerWaalsContact O-N 3.15Å; H302-L305 HydrophobicContact CB-CB 4.19Å; H302-L305 HydrophobicContact CB-CD1 3.96Å; H302-L305 HydrophobicContact CB-CG 4.22Å; H302-L305 PolarHBondContact O-N 2.99Å; H302-H411 PolarHBondContact NE2-O 2.99Å; H302-I415 HydrophobicContact CB-CD1 4.27Å; H302-I415 HydrophobicContact CB-CG1 4.15Å
303	P	91.7	Very high	91.3	Very high	82 Å²	82	50.2 Å²	50.2	53%	0.532	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.5	-176.4	30.3	-36.9	0	0	0	113.6	L300 L305	L300-P303 HydrophobicContact CB-CB 4.39Å; P303-L305 VanDerWaalsContact C-N 3.34Å
304	E	93.9	Very high	91.8	Very high	81 Å²	81	52.1 Å²	52.1	38%	0.379	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.4	174	83.9	-70.6	-177.4	0	0	113.6	V280 H302 K452	V280-E304 VanDerWaalsContact CG2-C 3.47Å; V280-E304 WeakPolarHBondContact CG2-O 3.49Å; V280-E304 PolarHBondContact N-O 2.6Å; H302-E304 VanDerWaalsContact CA-OE2 3.26Å; H302-E304 WeakPolarHBondContact CA-OE2 3.32Å; H302-E304 PolarHBondContact O-N 3.45Å; H302-E304 VanDerWaalsContact O-N 3.15Å; E304-K452 IonicContact OE1-NZ 3.2Å; E304-K452 PolarHBondContact OE1-NZ 2.89Å
305	L	95.2	Very high	92.2	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.6	-178	-60.1	179.6	0	0	0	111.8	V277 E278 H302 P303 I415 P442	V277-L305 HydrophobicContact CB-CB 4.46Å; V277-L305 HydrophobicContact CB-CD1 4.22Å; V277-L305 HydrophobicContact CG2-CD1 4.12Å; E278-L305 CarbonylContact O-C 3.55Å; E278-L305 WeakPolarHBondContact O-CA 3.33Å; H302-L305 HydrophobicContact CB-CB 4.19Å; H302-L305 HydrophobicContact CB-CD1 3.96Å; H302-L305 HydrophobicContact CB-CG 4.22Å; H302-L305 PolarHBondContact O-N 2.99Å; P303-L305 VanDerWaalsContact C-N 3.34Å; L305-I415 HydrophobicContact CB-CG2 4.02Å; L305-P442 HydrophobicContact CD1-CB 3.55Å
306	V	95.3	Very high	92.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144	162.9	-58.7	0	0	0	0	109.7	V277 E278 V280 W283 V308 V416 A418 L432	V277-V306 VanDerWaalsContact CA-O 3.23Å; V277-V306 WeakPolarHBondContact CA-O 3.42Å; E278-V306 HydrophobicContact CB-CG2 4.4Å; E278-V306 PolarHBondContact N-O 3.09Å; E278-V306 PolarHBondContact O-N 3.21Å; V280-V306 HydrophobicContact CG2-CG1 3.61Å; W283-V306 HydrophobicContact CD2-CG2 4.05Å; W283-V306 HydrophobicContact CG-CG2 4.04Å; W283-V306 HydrophobicContact CZ2-CG2 4.32Å; V306-V308 HydrophobicContact CG2-CG2 4.15Å; V306-V416 CarbonylContact C-O 3.04Å; V306-V416 VanDerWaalsContact CA-O 3.3Å; V306-V416 WeakPolarHBondContact CA-O 3.26Å; V306-V416 HydrophobicContact CB-CG1 4.43Å; V306-V416 HydrophobicContact CG1-CG1 3.85Å; V306-A418 HydrophobicContact CB-CB 3.72Å; V306-A418 HydrophobicContact CG1-CB 4.14Å; V306-A418 HydrophobicContact CG2-CB 3.76Å; V306-L432 HydrophobicContact CG1-CD2 4.04Å
307	L	95.3	Very high	93.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.9	166.5	176	60.1	0	0	0	108	E275 G276 R309 I415 V416 E417 A418 L438 M440	E275-L307 HydrophobicContact CG-CD1 4.03Å; G276-L307 WeakPolarHBondContact O-CD1 3.45Å; L307-R309 PolarHBondContact O-N 3.15Å; L307-I415 HydrophobicContact CB-CB 4.29Å; L307-I415 HydrophobicContact CB-CG2 4.16Å; L307-V416 PolarHBondContact N-O 2.93Å; L307-E417 HydrophobicContact CB-CG 4.24Å; L307-E417 HydrophobicContact CD2-CG 4.05Å; L307-E417 HydrophobicContact CG-CG 4.38Å; L307-E417 WeakPolarHBondContact O-CA 3.3Å; L307-A418 PolarHBondContact O-N 2.82Å; L307-L438 HydrophobicContact CD2-CB 3.75Å; L307-L438 HydrophobicContact CD2-CD1 3.91Å; L307-L438 HydrophobicContact CD2-CG 4.37Å; L307-M440 HydrophobicContact CD1-CE 4.1Å; L307-M440 HydrophobicContact CD1-CG 3.99Å; L307-M440 HydrophobicContact CD1-SD 3.97Å; L307-M440 HydrophobicContact CD2-SD 4.3Å
308	V	95.5	Very high	94	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.085	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.9	-175.9	-176	0	0	0	0	110	G276 E278 W283 V306 L420	G276-V308 PolarHBondContact O-N 2.99Å; E278-V308 HydrophobicContact CB-CG2 3.73Å; E278-V308 HydrophobicContact CG-CG2 3.62Å; W283-V308 HydrophobicContact CH2-CG1 4.06Å; W283-V308 HydrophobicContact CZ2-CB 4.17Å; W283-V308 HydrophobicContact CZ2-CG1 3.7Å; W283-V308 HydrophobicContact CZ2-CG2 3.58Å; V306-V308 HydrophobicContact CG2-CG2 4.15Å; V308-L420 HydrophobicContact CG1-CD1 3.98Å; V308-L420 HydrophobicContact CG1-CD2 4.41Å; V308-L420 HydrophobicContact CG1-CG 3.85Å
309	R	95.2	Very high	94.5	Very high	35 Å²	35	41.7 Å²	41.7	13%	0.132	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.9	166	-59.3	-54.4	-59.6	-179.8	3.8	109.9	E275 L307 E338 E417 A418 M419 L420 L433	E275-R309 IonicContact OE1-CZ 3.46Å; E275-R309 IonicContact OE1-NH1 3.58Å; E275-R309 PolarHBondContact OE1-NH1 2.99Å; L307-R309 PolarHBondContact O-N 3.15Å; R309-E338 IonicContact NH2-OE1 3.49Å; R309-E338 PolarHBondContact NH2-OE1 3.48Å; R309-E417 VanDerWaalsContact CD-OE1 3.31Å; R309-E417 WeakPolarHBondContact CD-OE1 3.44Å; R309-E417 HydrophobicContact CG-CB 4.4Å; R309-E417 HydrophobicContact CG-CG 4.49Å; R309-E417 WeakPolarHBondContact CG-OE1 3.44Å; R309-A418 WeakPolarHBondContact CB-O 3.33Å; R309-A418 PolarHBondContact N-O 3.41Å; R309-M419 HydrophobicContact CB-CB 4.35Å; R309-M419 HydrophobicContact CB-CG 4.31Å; R309-L420 PolarHBondContact O-N 3.48Å; R309-L433 HydrophobicContact CB-CD1 4.35Å; R309-L433 HydrophobicContact CG-CD1 3.81Å
310	P	95.8	Very high	95	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.013	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70	160	-177.6	31.4	-33.1	0	0	0	110.1	K267 L268 F274 M419	K267-P310 HydrophobicContact CB-CB 3.96Å; K267-P310 HydrophobicContact CB-CG 3.65Å; K267-P310 HydrophobicContact CD-CG 3.99Å; K267-P310 HydrophobicContact CG-CG 3.77Å; L268-P310 WeakPolarHBondContact O-CB 3.34Å; F274-P310 HydrophobicContact CD1-CB 3.78Å; F274-P310 HydrophobicContact CD1-CG 3.97Å; F274-P310 HydrophobicContact CE1-CB 4.28Å; F274-P310 WeakPolarHBondContact O-CD 3.37Å; P310-M419 WeakPolarHBondContact O-CE 3.35Å
311	A	96.6	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	160.4	170.1	0	0	0	0	0	109.6	K267 L268 L420 F427	K267-A311 CarbonylContact C-O 3.58Å; K267-A311 VanDerWaalsContact CA-O 3.22Å; K267-A311 WeakPolarHBondContact CA-O 3.4Å; L268-A311 HydrophobicContact CB-CB 4.27Å; L268-A311 PolarHBondContact N-O 2.72Å; L268-A311 PolarHBondContact O-N 3.39Å; A311-L420 WeakPolarHBondContact CA-O 3.47Å; A311-L420 HydrophobicContact CB-CB 4.04Å; A311-L420 VanDerWaalsContact CB-O 3.24Å; A311-L420 WeakPolarHBondContact CB-O 3.38Å; A311-F427 HydrophobicContact CB-CD1 4.22Å; A311-F427 HydrophobicContact CB-CE1 3.99Å
312	S	94.5	Very high	95.5	Very high	50 Å²	50	35.5 Å²	35.5	35%	0.35	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.9	178.9	58.6	0	0	0	0	111.7	H265 V266 M419	H265-S312 WeakPolarHBondContact CE1-CB 3.29Å; H265-S312 WeakPolarHBondContact NE2-CB 3.24Å; V266-S312 CarbonylContact O-C 3.52Å; V266-S312 WeakPolarHBondContact O-CA 3.16Å; S312-M419 VanDerWaalsContact OG-CE 3.29Å; S312-M419 WeakPolarHBondContact OG-CE 3.4Å
313	N	94.5	Very high	95.7	Very high	77 Å²	77	37.2 Å²	37.2	41%	0.412	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.5	172.8	-170.9	48.3	0	0	0	110.5	V266 L268	V266-N313 HydrophobicContact CG2-CB 4.17Å; V266-N313 WeakPolarHBondContact CG2-O 3.41Å; V266-N313 PolarHBondContact N-O 2.86Å; V266-N313 PolarHBondContact O-N 3.04Å; L268-N313 HydrophobicContact CD1-CB 3.85Å; L268-N313 HydrophobicContact CG-CB 4.46Å
314	E	96.6	Very high	95.8	Very high	106 Å²	106	33.3 Å²	33.3	50%	0.495	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.7	166.4	-65.2	-61.8	153	0	0	108.5	T263 V264 H265	T263-E314 HydrophobicContact CG2-CB 4.07Å; V264-E314 VanDerWaalsContact C-OE2 3.3Å; H265-E314 WeakPolarHBondContact CB-OE1 3.38Å; H265-E314 IonicContact CE1-OE1 3.81Å; H265-E314 IonicContact CG-OE1 2.73Å; H265-E314 PolarHBondContact N-OE2 3.47Å; H265-E314 IonicContact ND1-OE1 2.77Å; H265-E314 PolarHBondContact ND1-OE1 2.72Å
315	T	96.6	Very high	95.7	Very high	29 Å²	29	31.1 Å²	31.1	18%	0.178	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.3	-179.9	-170.8	0	0	0	0	111	T263 V264 V266 F320	T263-T315 CarbonylContact C-O 3.19Å; T263-T315 WeakPolarHBondContact CA-O 3.35Å; V264-T315 HydrophobicContact CG2-CG2 4.13Å; V264-T315 WeakPolarHBondContact CG2-O 2.96Å; V264-T315 PolarHBondContact N-O 2.87Å; V264-T315 PolarHBondContact O-N 3.13Å; V264-T315 VanDerWaalsContact O-N 3.08Å; V266-T315 HydrophobicContact CG1-CG2 3.98Å; V266-T315 HydrophobicContact CG2-CG2 3.88Å; T315-F320 HydrophobicContact CG2-CB 3.88Å
316	L	98	Very high	95.4	Very high	65 Å²	65	36.9 Å²	36.9	34%	0.34	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.4	166.4	-66.2	177.9	0	0	0	109.8	S318 D319 F320	L316-S318 PolarHBondContact O-N 3.14Å; L316-D319 HydrophobicContact CB-CB 4.47Å; L316-D319 PolarHBondContact O-N 3.24Å; L316-D319 VanDerWaalsContact O-N 3.12Å; L316-F320 PolarHBondContact O-N 2.77Å
317	F	97.9	Very high	94.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-32.4	178.8	-172.7	-123.2	0	0	0	112	L255 F259 G260 K262 V264 D319 F320 L321 L337 F346 L372	L255-F317 HydrophobicContact CB-CE1 3.97Å; L255-F317 HydrophobicContact CB-CZ 4.46Å; F259-F317 HydrophobicContact CB-CD1 3.67Å; F259-F317 HydrophobicContact CB-CE1 4.02Å; F259-F317 WeakPolarHBondContact O-CB 3.41Å; G260-F317 PolarHBondContact O-N 3.42Å; K262-F317 WeakPolarHBondContact O-CB 3.46Å; K262-F317 PolarHBondContact O-N 3Å; V264-F317 HydrophobicContact CG1-CB 4.05Å; V264-F317 HydrophobicContact CG1-CD2 3.95Å; V264-F317 HydrophobicContact CG1-CG 4.3Å; V264-F317 HydrophobicContact CG2-CB 4.17Å; V264-F317 HydrophobicContact CG2-CD2 4.06Å; F317-D319 PolarHBondContact O-N 3.11Å; F317-F320 AromaticContact CD2-CD1 3.94Å; F317-F320 HydrophobicContact CD2-CD1 3.94Å; F317-F320 AromaticContact CE2-CD1 3.93Å; F317-F320 HydrophobicContact CE2-CD1 3.93Å; F317-F320 HydrophobicContact CE2-CE1 4.33Å; F317-F320 PolarHBondContact O-N 3.06Å; F317-L321 HydrophobicContact CD1-CD1 3.95Å; F317-L321 HydrophobicContact CD1-CG 4.39Å; F317-L321 HydrophobicContact CE1-CD1 3.75Å; F317-L321 HydrophobicContact CE1-CD2 4.48Å; F317-L321 HydrophobicContact CE1-CG 4.19Å; F317-L321 HydrophobicContact CE2-CD2 4.41Å; F317-L321 HydrophobicContact CE2-CG 4.39Å; F317-L321 HydrophobicContact CZ-CD1 4.2Å; F317-L321 HydrophobicContact CZ-CD2 4.09Å; F317-L321 HydrophobicContact CZ-CG 4.18Å; F317-L321 WeakPolarHBondContact O-CB 3.37Å; F317-L321 VanDerWaalsContact O-CG 3.29Å; F317-L321 WeakPolarHBondContact O-CG 3.5Å; F317-L321 PolarHBondContact O-N 2.86Å; F317-L337 HydrophobicContact CE2-CD2 4.22Å; F317-F346 HydrophobicContact CD1-CE1 4.46Å; F317-F346 HydrophobicContact CD2-CZ 4.32Å; F317-F346 HydrophobicContact CE1-CE1 4.34Å; F317-F346 HydrophobicContact CE2-CE1 4.45Å; F317-F346 HydrophobicContact CE2-CZ 4.16Å; F317-F346 HydrophobicContact CZ-CE1 4.35Å; F317-F346 HydrophobicContact CZ-CZ 4.41Å; F317-L372 HydrophobicContact CE2-CD2 3.92Å; F317-L372 HydrophobicContact CZ-CD2 3.96Å
318	S	97.7	Very high	94	Very high	18 Å²	18	48.3 Å²	48.3	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-46.6	171.6	52.6	0	0	0	0	112.6	G260 L316 F320 L321 D322	G260-S318 PolarHBondContact O-N 2.84Å; G260-S318 PolarHBondContact O-OG 2.86Å; L316-S318 PolarHBondContact O-N 3.14Å; S318-F320 VanDerWaalsContact C-N 3.33Å; S318-L321 WeakPolarHBondContact O-CB 3.41Å; S318-L321 PolarHBondContact O-N 2.96Å; S318-D322 PolarHBondContact O-N 2.74Å
319	D	96.9	Very high	93.2	Very high	77 Å²	77	58 Å²	58	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-71.3	-36.3	-175.9	-56.8	-10.1	0	0	0	110.3	L316 F317 D322 F323	L316-D319 HydrophobicContact CB-CB 4.47Å; L316-D319 PolarHBondContact O-N 3.24Å; L316-D319 VanDerWaalsContact O-N 3.12Å; F317-D319 PolarHBondContact O-N 3.11Å; D319-D322 PolarHBondContact O-N 3.31Å; D319-F323 PolarHBondContact O-N 3.02Å
320	F	96.8	Very high	91.9	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-47.4	170.5	172.8	-113.1	0	0	0	111.7	V264 V266 T315 L316 F317 S318 D322 F323 V324 A335 L337 L372	V264-F320 HydrophobicContact CG2-CB 4.48Å; V266-F320 HydrophobicContact CB-CD2 4.26Å; V266-F320 HydrophobicContact CB-CE2 4.38Å; V266-F320 HydrophobicContact CG1-CB 4.33Å; V266-F320 HydrophobicContact CG1-CD1 4.43Å; V266-F320 HydrophobicContact CG1-CD2 3.57Å; V266-F320 HydrophobicContact CG1-CE2 3.91Å; V266-F320 HydrophobicContact CG1-CG 3.85Å; V266-F320 HydrophobicContact CG1-CZ 4.47Å; T315-F320 HydrophobicContact CG2-CB 3.88Å; L316-F320 PolarHBondContact O-N 2.77Å; F317-F320 AromaticContact CD2-CD1 3.94Å; F317-F320 HydrophobicContact CD2-CD1 3.94Å; F317-F320 AromaticContact CE2-CD1 3.93Å; F317-F320 HydrophobicContact CE2-CD1 3.93Å; F317-F320 HydrophobicContact CE2-CE1 4.33Å; F317-F320 PolarHBondContact O-N 3.06Å; S318-F320 VanDerWaalsContact C-N 3.33Å; F320-D322 VanDerWaalsContact C-N 3.31Å; F320-D322 PolarHBondContact O-N 3.4Å; F320-F323 WeakPolarHBondContact O-CB 3.48Å; F320-F323 PolarHBondContact O-N 2.71Å; F320-F323 VanDerWaalsContact O-N 3.12Å; F320-V324 HydrophobicContact CD2-CG1 3.96Å; F320-V324 HydrophobicContact CE1-CG1 4.36Å; F320-V324 HydrophobicContact CE2-CG1 3.36Å; F320-V324 HydrophobicContact CZ-CG1 3.59Å; F320-V324 WeakPolarHBondContact O-CG2 3.31Å; F320-V324 PolarHBondContact O-N 3.18Å; F320-A335 HydrophobicContact CD2-CB 4.24Å; F320-A335 HydrophobicContact CE2-CB 3.82Å; F320-L337 HydrophobicContact CE1-CB 3.91Å; F320-L337 HydrophobicContact CZ-CB 3.9Å; F320-L372 HydrophobicContact CD1-CD2 4.48Å; F320-L372 HydrophobicContact CE1-CB 4.33Å; F320-L372 HydrophobicContact CE1-CD2 3.77Å; F320-L372 HydrophobicContact CE1-CG 3.81Å; F320-L372 HydrophobicContact CZ-CG 4.32Å; F320-L372 VanDerWaalsContact CZ-O 3.32Å; F320-L372 WeakPolarHBondContact CZ-O 3.5Å
321	L	96.3	Very high	90.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-41.6	175.6	-73.2	175.5	0	0	0	111.7	L255 R256 F317 S318 F323 V324 S325 L372	L255-L321 HydrophobicContact CB-CD1 4.2Å; R256-L321 HydrophobicContact CB-CD1 3.91Å; F317-L321 HydrophobicContact CD1-CD1 3.95Å; F317-L321 HydrophobicContact CD1-CG 4.39Å; F317-L321 HydrophobicContact CE1-CD1 3.75Å; F317-L321 HydrophobicContact CE1-CD2 4.48Å; F317-L321 HydrophobicContact CE1-CG 4.19Å; F317-L321 HydrophobicContact CE2-CD2 4.41Å; F317-L321 HydrophobicContact CE2-CG 4.39Å; F317-L321 HydrophobicContact CZ-CD1 4.2Å; F317-L321 HydrophobicContact CZ-CD2 4.09Å; F317-L321 HydrophobicContact CZ-CG 4.18Å; F317-L321 WeakPolarHBondContact O-CB 3.37Å; F317-L321 VanDerWaalsContact O-CG 3.29Å; F317-L321 WeakPolarHBondContact O-CG 3.5Å; F317-L321 PolarHBondContact O-N 2.86Å; S318-L321 WeakPolarHBondContact O-CB 3.41Å; S318-L321 PolarHBondContact O-N 2.96Å; L321-F323 VanDerWaalsContact C-N 3.3Å; L321-F323 PolarHBondContact O-N 2.8Å; L321-V324 PolarHBondContact O-N 3.26Å; L321-S325 VanDerWaalsContact O-CB 3.26Å; L321-S325 WeakPolarHBondContact O-CB 3.37Å; L321-S325 PolarHBondContact O-N 2.81Å; L321-S325 PolarHBondContact O-OG 3.17Å; L321-L372 HydrophobicContact CD2-CD2 3.85Å
322	D	94.7	Very high	90.4	Very high	71 Å²	71	69.2 Å²	69.2	38%	0.38	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-38	174.8	-73.9	-17.6	0	0	0	112.3	R256 S318 D319 F320 K326	R256-D322 IonicContact CZ-OD1 3.62Å; R256-D322 IonicContact NE-OD1 3.93Å; R256-D322 IonicContact NH2-OD1 2.61Å; R256-D322 PolarHBondContact NH2-OD1 2.66Å; S318-D322 PolarHBondContact O-N 2.74Å; D319-D322 PolarHBondContact O-N 3.31Å; F320-D322 VanDerWaalsContact C-N 3.31Å; F320-D322 PolarHBondContact O-N 3.4Å; D322-K326 WeakPolarHBondContact O-CD 3.33Å; D322-K326 WeakPolarHBondContact O-CE 3.45Å; D322-K326 VanDerWaalsContact O-CG 3.32Å; D322-K326 WeakPolarHBondContact O-CG 3.4Å
323	F	94.2	Very high	90.3	Very high	55 Å²	55	69.1 Å²	69.1	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-51.4	177.4	-179.6	-89.3	0	0	0	111.4	D319 F320 L321 S325 K326 Q328 M333 A335	D319-F323 PolarHBondContact O-N 3.02Å; F320-F323 WeakPolarHBondContact O-CB 3.48Å; F320-F323 PolarHBondContact O-N 2.71Å; F320-F323 VanDerWaalsContact O-N 3.12Å; L321-F323 VanDerWaalsContact C-N 3.3Å; L321-F323 PolarHBondContact O-N 2.8Å; F323-S325 PolarHBondContact O-N 3.11Å; F323-K326 PolarHBondContact O-N 3.46Å; F323-Q328 VanDerWaalsContact CE1-NE2 3.33Å; F323-Q328 PolarHBondContact O-NE2 3.47Å; F323-M333 HydrophobicContact CE2-CE 3.6Å; F323-M333 HydrophobicContact CZ-CE 3.72Å; F323-M333 HydrophobicContact CZ-CG 4.46Å; F323-A335 HydrophobicContact CD1-CB 3.51Å; F323-A335 HydrophobicContact CE1-CB 3.41Å; F323-A335 VanDerWaalsContact CE1-CB 3.41Å; F323-A335 HydrophobicContact CZ-CB 4.41Å
324	V	94.4	Very high	90.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-74.5	-25	-173.4	-61	0	0	0	0	113.6	F320 L321 K326 A335 N374	F320-V324 HydrophobicContact CD2-CG1 3.96Å; F320-V324 HydrophobicContact CE1-CG1 4.36Å; F320-V324 HydrophobicContact CE2-CG1 3.36Å; F320-V324 HydrophobicContact CZ-CG1 3.59Å; F320-V324 WeakPolarHBondContact O-CG2 3.31Å; F320-V324 PolarHBondContact O-N 3.18Å; L321-V324 PolarHBondContact O-N 3.26Å; V324-K326 VanDerWaalsContact C-N 3.28Å; V324-K326 PolarHBondContact O-N 2.79Å; V324-A335 HydrophobicContact CG1-CB 4.38Å; V324-N374 HydrophobicContact CB-CB 4.09Å; V324-N374 HydrophobicContact CG1-CB 4.38Å
325	S	91.5	Very high	90.3	Very high	35 Å²	35	60.5 Å²	60.5	25%	0.245	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.1	179.9	-52.5	0	0	0	0	113.2	N252 L321 F323 N491	N252-S325 PolarHBondContact ND2-OG 3.26Å; L321-S325 VanDerWaalsContact O-CB 3.26Å; L321-S325 WeakPolarHBondContact O-CB 3.37Å; L321-S325 PolarHBondContact O-N 2.81Å; L321-S325 PolarHBondContact O-OG 3.17Å; F323-S325 PolarHBondContact O-N 3.11Å; S325-N491 PolarHBondContact O-ND2 3Å; S325-N491 VanDerWaalsContact O-ND2 3.16Å
326	K	88.6	Confident	90.3	Very high	134 Å²	134	59.9 Å²	59.9	58%	0.583	28%	0.284	S	S	*	.	S	Bend	trans	-81.5	136.5	177.7	-73.4	168.9	-172.9	174	0	111	D322 F323 V324 Q328 N491	D322-K326 WeakPolarHBondContact O-CD 3.33Å; D322-K326 WeakPolarHBondContact O-CE 3.45Å; D322-K326 VanDerWaalsContact O-CG 3.32Å; D322-K326 WeakPolarHBondContact O-CG 3.4Å; F323-K326 PolarHBondContact O-N 3.46Å; V324-K326 VanDerWaalsContact C-N 3.28Å; V324-K326 PolarHBondContact O-N 2.79Å; K326-Q328 WeakPolarHBondContact O-CG 3.45Å; K326-Q328 PolarHBondContact O-N 3.39Å; K326-N491 PolarHBondContact O-ND2 3.3Å
327	K	81.5	Confident	90.3	Very high	179 Å²	179	56.8 Å²	56.8	78%	0.778	27%	0.268	S	S	*	.			trans	-62.7	123.9	172.2	-82.3	-179	178.9	176.4	0	109.4	N491	K327-N491 VanDerWaalsContact CA-ND2 3.34Å; K327-N491 WeakPolarHBondContact CA-ND2 3.24Å; K327-N491 WeakPolarHBondContact CG-OD1 3.46Å; K327-N491 PolarHBondContact N-ND2 3.42Å; K327-N491 VanDerWaalsContact N-ND2 3.1Å
328	Q	79.4	Confident	90.2	Very high	62 Å²	62	57.6 Å²	57.6	29%	0.29	27%	0.271	S	S	.	.			trans	-121.4	161	-175.9	-75.6	-179	3.2	0	0	110.9	F323 K326 M333 N374	F323-Q328 VanDerWaalsContact CE1-NE2 3.33Å; F323-Q328 PolarHBondContact O-NE2 3.47Å; K326-Q328 WeakPolarHBondContact O-CG 3.45Å; K326-Q328 PolarHBondContact O-N 3.39Å; Q328-M333 PolarHBondContact OE1-O 3.37Å; Q328-N374 PolarHBondContact OE1-ND2 3.16Å
329	R	78.3	Confident	89.9	Confident	216 Å²	216	60.4 Å²	60.4	82%	0.815	28%	0.28	S	S	*	.			trans	-76.8	148.2	175.4	-68.3	-177.1	175.7	168	-1.1	109.1	N331 S332	R329-N331 PolarHBondContact O-N 3.47Å; R329-N331 VanDerWaalsContact O-N 3.16Å; R329-S332 PolarHBondContact N-OG 3.29Å; R329-S332 PolarHBondContact O-N 2.97Å; R329-S332 PolarHBondContact O-OG 3.41Å
330	K	69.7	Low	89.9	Confident	114 Å²	114	57.5 Å²	57.5	50%	0.496	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34	-177.1	-66.7	-176.8	-179.4	179	0	114.1	E190 N376	E190-K330 VanDerWaalsContact CD-NZ 3.33Å; E190-K330 IonicContact OE1-NZ 2.74Å; E190-K330 PolarHBondContact OE1-NZ 2.85Å; E190-K330 IonicContact OE2-NZ 3.94Å; E190-K330 PolarHBondContact OE2-NZ 3.11Å; K330-N376 PolarHBondContact O-ND2 3.05Å; K330-N376 PolarHBondContact O-OD1 3.5Å
331	N	73.8	Confident	89.9	Confident	124 Å²	124	59.1 Å²	59.1	66%	0.663	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	24.4	179.4	-63.5	-6.7	0	0	0	112.3	R329	R329-N331 PolarHBondContact O-N 3.47Å; R329-N331 VanDerWaalsContact O-N 3.16Å
332	S	86.5	Confident	89.9	Confident	35 Å²	35	59.1 Å²	59.1	25%	0.245	28%	0.277	C	S	.	.	S	Bend	trans	-91.1	167.4	170	66.4	0	0	0	0	111.3	P270 R329 S334	P270-S332 CarbonylContact O-C 3.39Å; R329-S332 PolarHBondContact N-OG 3.29Å; R329-S332 PolarHBondContact O-N 2.97Å; R329-S332 PolarHBondContact O-OG 3.41Å; S332-S334 PolarHBondContact O-N 3.31Å
333	M	92.4	Very high	89.8	Confident	48 Å²	48	61 Å²	61	24%	0.236	28%	0.279	C	S	.	.			trans	-48.3	135.3	172.1	-177.3	172.9	75.7	0	0	111.2	S269 P270 F323 Q328 Y422 F427	S269-M333 CarbonylContact O-C 3.46Å; S269-M333 VanDerWaalsContact O-CA 3.24Å; S269-M333 WeakPolarHBondContact O-CA 3.41Å; P270-M333 PolarHBondContact O-N 2.93Å; F323-M333 HydrophobicContact CE2-CE 3.6Å; F323-M333 HydrophobicContact CZ-CE 3.72Å; F323-M333 HydrophobicContact CZ-CG 4.46Å; Q328-M333 PolarHBondContact OE1-O 3.37Å; M333-Y422 HydrophobicContact SD-CD2 4.48Å; M333-Y422 HydrophobicContact SD-CE2 3.72Å; M333-F427 HydrophobicContact CB-CE2 4.37Å; M333-F427 HydrophobicContact CG-CE2 3.89Å; M333-F427 HydrophobicContact CG-CZ 3.74Å; M333-F427 HydrophobicContact SD-CE2 3.71Å; M333-F427 HydrophobicContact SD-CZ 3.67Å
334	S	95	Very high	89.8	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.2	177.8	-174.4	0	0	0	0	109.8	L268 S269 S332 N374 N376	L268-S334 WeakPolarHBondContact CA-O 3.42Å; S269-S334 PolarHBondContact N-O 3.05Å; S269-S334 PolarHBondContact O-N 3.21Å; S332-S334 PolarHBondContact O-N 3.31Å; S334-N374 PolarHBondContact OG-ND2 2.61Å; S334-N374 PolarHBondContact OG-OD1 2.68Å; S334-N376 VanDerWaalsContact CB-O 3.31Å; S334-N376 WeakPolarHBondContact CB-O 3.49Å; S334-N376 PolarHBondContact OG-O 3.39Å
335	A	95.7	Very high	89.8	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.9	176	0	0	0	0	0	110.1	K267 L268 F320 F323 V324 S373	K267-A335 CarbonylContact O-C 3.54Å; K267-A335 VanDerWaalsContact O-CA 3.26Å; K267-A335 WeakPolarHBondContact O-CA 3.46Å; L268-A335 HydrophobicContact CD2-CB 3.66Å; F320-A335 HydrophobicContact CD2-CB 4.24Å; F320-A335 HydrophobicContact CE2-CB 3.82Å; F323-A335 HydrophobicContact CD1-CB 3.51Å; F323-A335 HydrophobicContact CE1-CB 3.41Å; F323-A335 VanDerWaalsContact CE1-CB 3.41Å; F323-A335 HydrophobicContact CZ-CB 4.41Å; V324-A335 HydrophobicContact CG1-CB 4.38Å; A335-S373 WeakPolarHBondContact O-CB 3.23Å
336	Y	97.5	Very high	90	Very high	16 Å²	16	62.1 Å²	62.1	6%	0.063	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	126.5	-174	-164.1	-171.1	0	0	0	110.8	K267 F274 E338 W371 L372 T377 K397	K267-Y336 PolarHBondContact N-O 2.74Å; K267-Y336 PolarHBondContact O-N 2.8Å; F274-Y336 HydrophobicContact CB-CD1 4.45Å; F274-Y336 AromaticContact CD1-CD1 3.94Å; F274-Y336 HydrophobicContact CD1-CD1 3.94Å; F274-Y336 HydrophobicContact CD1-CG 4.41Å; F274-Y336 HydrophobicContact CD2-CD1 4.18Å; F274-Y336 HydrophobicContact CE1-CD1 4.28Å; F274-Y336 HydrophobicContact CE1-CG 4.32Å; F274-Y336 AromaticContact CG-CD1 3.9Å; F274-Y336 HydrophobicContact CG-CD1 3.9Å; F274-Y336 VanDerWaalsContact CZ-CB 3.49Å; F274-Y336 HydrophobicContact CZ-CG 4.48Å; Y336-E338 HydrophobicContact CD1-CB 3.84Å; Y336-E338 HydrophobicContact CD1-CG 4.36Å; Y336-E338 WeakPolarHBondContact CD1-OE2 3.33Å; Y336-E338 HydrophobicContact CD2-CB 4.42Å; Y336-E338 HydrophobicContact CE1-CB 3.97Å; Y336-E338 HydrophobicContact CG-CB 4.11Å; Y336-E338 PolarHBondContact O-N 2.89Å; Y336-W371 AromaticContact CE1-CE3 3.92Å; Y336-W371 HydrophobicContact CE1-CE3 3.92Å; Y336-W371 HydrophobicContact CE1-CZ3 4.1Å; Y336-W371 HydrophobicContact CE2-CB 4.04Å; Y336-W371 AromaticContact CE2-CE3 3.98Å; Y336-W371 HydrophobicContact CE2-CE3 3.98Å; Y336-W371 AromaticContact CZ-CE3 3.41Å; Y336-W371 VanDerWaalsContact CZ-CE3 3.41Å; Y336-L372 WeakPolarHBondContact CD2-O 3.25Å; Y336-T377 HydrophobicContact CD1-CG2 3.82Å; Y336-T377 HydrophobicContact CD2-CG2 4.19Å; Y336-T377 HydrophobicContact CE1-CG2 4.15Å; Y336-T377 HydrophobicContact CE2-CG2 4.46Å; Y336-T377 HydrophobicContact CG-CG2 3.81Å; Y336-K397 PolarHBondContact OH-NZ 3.48Å
337	L	97.3	Very high	90.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	98.1	161.2	-170.2	72.8	0	0	0	106.9	V264 V266 F317 F320 T340 F346 I370 W371 L372	V264-L337 HydrophobicContact CB-CD1 4.13Å; V266-L337 HydrophobicContact CG1-CD1 4.34Å; F317-L337 HydrophobicContact CE2-CD2 4.22Å; F320-L337 HydrophobicContact CE1-CB 3.91Å; F320-L337 HydrophobicContact CZ-CB 3.9Å; L337-T340 HydrophobicContact CD1-CG2 4.16Å; L337-T340 WeakPolarHBondContact CD1-OG1 3.36Å; L337-T340 HydrophobicContact CD2-CG2 4.33Å; L337-T340 HydrophobicContact CG-CG2 4.22Å; L337-T340 WeakPolarHBondContact CG-OG1 3.42Å; L337-F346 HydrophobicContact CD2-CE2 4Å; L337-F346 HydrophobicContact CD2-CZ 4.17Å; L337-I370 HydrophobicContact CD2-CG2 4.05Å; L337-W371 VanDerWaalsContact O-CA 3.3Å; L337-W371 WeakPolarHBondContact O-CA 3.34Å; L337-L372 HydrophobicContact CB-CB 4.19Å; L337-L372 HydrophobicContact CD2-CB 4.41Å; L337-L372 PolarHBondContact N-O 3.31Å; L337-L372 PolarHBondContact O-N 3.37Å
338	E	95	Very high	90.9	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.2	-179.6	57	172.7	-143.8	0	0	111.9	K267 R309 Y336 T340 W371	K267-E338 HydrophobicContact CB-CG 4.27Å; K267-E338 HydrophobicContact CG-CG 3.49Å; K267-E338 VanDerWaalsContact CG-CG 3.49Å; K267-E338 WeakPolarHBondContact CG-OE1 3.35Å; R309-E338 IonicContact NH2-OE1 3.49Å; R309-E338 PolarHBondContact NH2-OE1 3.48Å; Y336-E338 HydrophobicContact CD1-CB 3.84Å; Y336-E338 HydrophobicContact CD1-CG 4.36Å; Y336-E338 WeakPolarHBondContact CD1-OE2 3.33Å; Y336-E338 HydrophobicContact CD2-CB 4.42Å; Y336-E338 HydrophobicContact CE1-CB 3.97Å; Y336-E338 HydrophobicContact CG-CB 4.11Å; Y336-E338 PolarHBondContact O-N 2.89Å; E338-T340 PolarHBondContact O-N 3.32Å; E338-T340 PolarHBondContact O-OG1 2.93Å; E338-T340 VanDerWaalsContact O-OG1 3.09Å; E338-W371 HydrophobicContact CB-CE3 3.59Å; E338-W371 HydrophobicContact CB-CH2 4.47Å; E338-W371 HydrophobicContact CB-CZ3 3.43Å; E338-W371 VanDerWaalsContact CB-CZ3 3.43Å
339	Y	92	Very high	91.7	Very high	78 Å²	78	54.8 Å²	54.8	31%	0.306	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.8	28.4	178.9	-56	-81.3	0	0	0	114.6	S341 W371 W499	Y339-S341 PolarHBondContact O-N 3.09Å; Y339-W371 AromaticContact CD1-CH2 3.63Å; Y339-W371 HydrophobicContact CD1-CH2 3.63Å; Y339-W371 AromaticContact CD1-CZ2 3.87Å; Y339-W371 HydrophobicContact CD1-CZ2 3.87Å; Y339-W371 AromaticContact CD2-CH2 3.91Å; Y339-W371 HydrophobicContact CD2-CH2 3.91Å; Y339-W371 HydrophobicContact CD2-CZ3 4.1Å; Y339-W371 AromaticContact CE1-CH2 3.41Å; Y339-W371 HydrophobicContact CE1-CH2 3.41Å; Y339-W371 VanDerWaalsContact CE1-CH2 3.41Å; Y339-W371 AromaticContact CE1-CZ2 3.89Å; Y339-W371 HydrophobicContact CE1-CZ2 3.89Å; Y339-W371 HydrophobicContact CE1-CZ3 4.45Å; Y339-W371 AromaticContact CE2-CH2 3.69Å; Y339-W371 HydrophobicContact CE2-CH2 3.69Å; Y339-W371 AromaticContact CE2-CZ3 3.97Å; Y339-W371 HydrophobicContact CE2-CZ3 3.97Å; Y339-W371 AromaticContact CG-CH2 3.89Å; Y339-W371 HydrophobicContact CG-CH2 3.89Å; Y339-W371 HydrophobicContact CG-CZ2 4.35Å; Y339-W371 HydrophobicContact CG-CZ3 4.39Å; Y339-W371 AromaticContact CZ-CH2 3.45Å; Y339-W371 VanDerWaalsContact CZ-CH2 3.45Å; Y339-W499 AromaticContact CD1-CH2 3.76Å; Y339-W499 HydrophobicContact CD1-CH2 3.76Å; Y339-W499 HydrophobicContact CD1-CZ2 4.37Å; Y339-W499 HydrophobicContact CD1-CZ3 4.49Å; Y339-W499 AromaticContact CE1-CH2 3.62Å; Y339-W499 HydrophobicContact CE1-CH2 3.62Å; Y339-W499 AromaticContact CE1-CZ2 3.99Å; Y339-W499 HydrophobicContact CE1-CZ2 3.99Å
340	T	96.4	Very high	92.5	Very high	15 Å²	15	47 Å²	47	9%	0.092	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.9	-173.2	-65.1	0	0	0	0	109.6	L337 E338 I342 N345 F346 N369 I370	L337-T340 HydrophobicContact CD1-CG2 4.16Å; L337-T340 WeakPolarHBondContact CD1-OG1 3.36Å; L337-T340 HydrophobicContact CD2-CG2 4.33Å; L337-T340 HydrophobicContact CG-CG2 4.22Å; L337-T340 WeakPolarHBondContact CG-OG1 3.42Å; E338-T340 PolarHBondContact O-N 3.32Å; E338-T340 PolarHBondContact O-OG1 2.93Å; E338-T340 VanDerWaalsContact O-OG1 3.09Å; T340-I342 PolarHBondContact O-N 2.85Å; T340-N345 HydrophobicContact CG2-CB 3.94Å; T340-F346 HydrophobicContact CG2-CD2 4.38Å; T340-F346 HydrophobicContact CG2-CE2 3.77Å; T340-N369 CarbonylContact O-C 3.6Å; T340-N369 VanDerWaalsContact O-CA 3.31Å; T340-N369 WeakPolarHBondContact O-CA 3.38Å; T340-I370 HydrophobicContact CG2-CG2 4Å; T340-I370 WeakPolarHBondContact O-CG2 3.31Å; T340-I370 PolarHBondContact O-N 3.27Å
341	S	96.8	Very high	93.8	Very high	40 Å²	40	48.1 Å²	48.1	28%	0.28	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	122.5	178.6	177.6	0	0	0	0	111.2	Y339 G344 N345	Y339-S341 PolarHBondContact O-N 3.09Å; S341-G344 PolarHBondContact O-N 2.98Å; S341-G344 PolarHBondContact OG-N 3Å; S341-N345 WeakPolarHBondContact O-CB 3.38Å; S341-N345 PolarHBondContact O-N 3.12Å; S341-N345 PolarHBondContact O-ND2 3.37Å; S341-N345 VanDerWaalsContact O-ND2 3.11Å
342	I	96.8	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-47.7	173.9	-70.2	-176.1	0	0	0	110	W250 T340 G344 N345 F346 K347 L349 E350 L353 V368 I370 V496	W250-I342 HydrophobicContact CH2-CD1 4.06Å; T340-I342 PolarHBondContact O-N 2.85Å; I342-G344 VanDerWaalsContact C-N 3.28Å; I342-G344 PolarHBondContact O-N 2.73Å; I342-N345 PolarHBondContact O-N 3.11Å; I342-F346 CarbonylContact O-C 3.46Å; I342-F346 WeakPolarHBondContact O-CA 3.38Å; I342-F346 PolarHBondContact O-N 2.93Å; I342-K347 PolarHBondContact O-N 3.5Å; I342-K347 VanDerWaalsContact O-N 3.12Å; I342-L349 HydrophobicContact CG2-CB 3.98Å; I342-E350 HydrophobicContact CG2-CB 4.11Å; I342-L353 HydrophobicContact CD1-CD1 3.79Å; I342-V368 HydrophobicContact CD1-CG1 4.06Å; I342-V368 PolarHBondContact N-O 3.38Å; I342-I370 HydrophobicContact CD1-CB 4.07Å; I342-I370 HydrophobicContact CG1-CB 3.79Å; I342-I370 HydrophobicContact CG1-CG2 4.2Å; I342-V496 HydrophobicContact CD1-CG1 3.96Å; I342-V496 HydrophobicContact CD1-CG2 4.04Å
343	R	92.7	Very high	95.4	Very high	111 Å²	111	41.8 Å²	41.8	42%	0.419	22%	0.22	S	C	.	.	H	α-helix	trans	-55.2	-42.6	177.2	-79.2	174	-175.4	159.6	7.5	113	E350	R343-E350 WeakPolarHBondContact CG-OE2 3.46Å; R343-E350 IonicContact CZ-OE1 3.98Å; R343-E350 VanDerWaalsContact NE-CD 3.35Å; R343-E350 IonicContact NE-OE1 2.72Å; R343-E350 PolarHBondContact NE-OE1 3.39Å; R343-E350 IonicContact NE-OE2 3.04Å; R343-E350 PolarHBondContact NE-OE2 3.13Å; R343-E350 IonicContact NH2-OE1 2.86Å; R343-E350 PolarHBondContact NH2-OE1 2.54Å
344	G	94	Very high	95.4	Very high	55 Å²	55	41.7 Å²	41.7	57%	0.567	22%	0.223	S	C	*	.	H	α-helix	trans	-76.4	-32.4	-178.5	0	0	0	0	0	114	S341 I342	S341-G344 PolarHBondContact O-N 2.98Å; S341-G344 PolarHBondContact OG-N 3Å; I342-G344 VanDerWaalsContact C-N 3.28Å; I342-G344 PolarHBondContact O-N 2.73Å
345	N	94.2	Very high	94.9	Very high	56 Å²	56	45.7 Å²	45.7	30%	0.299	25%	0.25	S	C	.	.	H	α-helix	trans	-114.7	-35.5	-168.4	-68.9	-77.6	0	0	0	114.3	K262 T340 S341 I342	K262-N345 VanDerWaalsContact CD-O 3.3Å; K262-N345 WeakPolarHBondContact CD-O 3.33Å; K262-N345 WeakPolarHBondContact CE-O 3.35Å; K262-N345 PolarHBondContact NZ-O 3.24Å; T340-N345 HydrophobicContact CG2-CB 3.94Å; S341-N345 WeakPolarHBondContact O-CB 3.38Å; S341-N345 PolarHBondContact O-N 3.12Å; S341-N345 PolarHBondContact O-ND2 3.37Å; S341-N345 VanDerWaalsContact O-ND2 3.11Å; I342-N345 PolarHBondContact O-N 3.11Å
346	F	95.9	Very high	94.6	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	25%	0.25	C	S	.	.			trans	-137.5	46.8	-169.4	-53	-74.2	0	0	0	111	F259 K262 V264 F317 L337 T340 I342 S348 L349 I370	F259-F346 HydrophobicContact CB-CD1 4.12Å; F259-F346 HydrophobicContact CB-CE1 4.01Å; F259-F346 AromaticContact CD1-CD1 3.71Å; F259-F346 HydrophobicContact CD1-CD1 3.71Å; F259-F346 HydrophobicContact CD1-CE1 4.38Å; F259-F346 AromaticContact CD2-CD1 3.97Å; F259-F346 HydrophobicContact CD2-CD1 3.97Å; F259-F346 HydrophobicContact CE1-CB 4.34Å; F259-F346 HydrophobicContact CE1-CD1 4.04Å; F259-F346 HydrophobicContact CE2-CD1 4.31Å; F259-F346 AromaticContact CG-CD1 3.66Å; F259-F346 HydrophobicContact CG-CD1 3.66Å; F259-F346 HydrophobicContact CG-CE1 4.07Å; F259-F346 HydrophobicContact CZ-CB 4.23Å; F259-F346 HydrophobicContact CZ-CD1 4.32Å; K262-F346 HydrophobicContact CD-CD1 4.32Å; K262-F346 HydrophobicContact CD-CE1 3.94Å; V264-F346 HydrophobicContact CG1-CE1 4.41Å; V264-F346 HydrophobicContact CG1-CZ 3.84Å; F317-F346 HydrophobicContact CD1-CE1 4.46Å; F317-F346 HydrophobicContact CD2-CZ 4.32Å; F317-F346 HydrophobicContact CE1-CE1 4.34Å; F317-F346 HydrophobicContact CE2-CE1 4.45Å; F317-F346 HydrophobicContact CE2-CZ 4.16Å; F317-F346 HydrophobicContact CZ-CE1 4.35Å; F317-F346 HydrophobicContact CZ-CZ 4.41Å; L337-F346 HydrophobicContact CD2-CE2 4Å; L337-F346 HydrophobicContact CD2-CZ 4.17Å; T340-F346 HydrophobicContact CG2-CD2 4.38Å; T340-F346 HydrophobicContact CG2-CE2 3.77Å; I342-F346 CarbonylContact O-C 3.46Å; I342-F346 WeakPolarHBondContact O-CA 3.38Å; I342-F346 PolarHBondContact O-N 2.93Å; F346-S348 VanDerWaalsContact C-N 3.26Å; F346-S348 PolarHBondContact O-N 2.95Å; F346-L349 HydrophobicContact CB-CB 4.23Å; F346-L349 HydrophobicContact CB-CD1 3.53Å; F346-L349 HydrophobicContact CB-CG 3.75Å; F346-L349 HydrophobicContact CG-CD1 4.06Å; F346-L349 WeakPolarHBondContact O-CB 3.41Å; F346-L349 WeakPolarHBondContact O-CG 3.17Å; F346-L349 PolarHBondContact O-N 3.18Å; F346-I370 HydrophobicContact CD2-CG2 3.94Å; F346-I370 HydrophobicContact CE2-CG2 3.91Å
347	K	93.4	Very high	94.3	Very high	159 Å²	159	48.7 Å²	48.7	69%	0.691	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-46	-43.7	-167.1	-174.4	178.8	177	-177.3	0	114.7	I342 L349 E350	I342-K347 PolarHBondContact O-N 3.5Å; I342-K347 VanDerWaalsContact O-N 3.12Å; K347-L349 PolarHBondContact O-N 3.01Å; K347-E350 WeakPolarHBondContact O-CB 3.48Å; K347-E350 PolarHBondContact O-N 3.31Å
348	S	95.5	Very high	94	Very high	61 Å²	61	48.8 Å²	48.8	43%	0.427	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-68.5	-11.7	-179.2	64	0	0	0	0	114.6	F259 F346 E350	F259-S348 WeakPolarHBondContact CZ-OG 3.38Å; F346-S348 VanDerWaalsContact C-N 3.26Å; F346-S348 PolarHBondContact O-N 2.95Å; S348-E350 VanDerWaalsContact C-N 3.3Å
349	L	97.6	Very high	93.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-73.8	-24	170.8	-64.7	-168.8	0	0	0	111.5	W250 F254 L255 F259 I342 F346 K347 D351 D352 I370	W250-L349 HydrophobicContact CD2-CD2 4.39Å; W250-L349 HydrophobicContact CH2-CB 4Å; W250-L349 HydrophobicContact CH2-CD1 4.24Å; W250-L349 HydrophobicContact CZ2-CB 3.51Å; W250-L349 HydrophobicContact CZ2-CD1 4.17Å; W250-L349 HydrophobicContact CZ2-CD2 4.11Å; W250-L349 HydrophobicContact CZ2-CG 4.14Å; W250-L349 WeakPolarHBondContact CZ2-O 3.33Å; W250-L349 HydrophobicContact CZ3-CD1 4.43Å; F254-L349 HydrophobicContact CE1-CD2 3.83Å; F254-L349 HydrophobicContact CZ-CD2 4.37Å; L255-L349 HydrophobicContact CD2-CD1 4.15Å; L255-L349 HydrophobicContact CD2-CD2 4.33Å; F259-L349 HydrophobicContact CE2-CD1 4.13Å; F259-L349 HydrophobicContact CE2-CD2 3.61Å; F259-L349 HydrophobicContact CE2-CG 3.79Å; F259-L349 HydrophobicContact CZ-CD2 4.03Å; F259-L349 HydrophobicContact CZ-CG 3.91Å; I342-L349 HydrophobicContact CG2-CB 3.98Å; F346-L349 HydrophobicContact CB-CB 4.23Å; F346-L349 HydrophobicContact CB-CD1 3.53Å; F346-L349 HydrophobicContact CB-CG 3.75Å; F346-L349 HydrophobicContact CG-CD1 4.06Å; F346-L349 WeakPolarHBondContact O-CB 3.41Å; F346-L349 WeakPolarHBondContact O-CG 3.17Å; F346-L349 PolarHBondContact O-N 3.18Å; K347-L349 PolarHBondContact O-N 3.01Å; L349-D351 PolarHBondContact O-N 3.15Å; L349-D352 WeakPolarHBondContact O-CB 3.47Å; L349-D352 PolarHBondContact O-N 2.97Å; L349-I370 HydrophobicContact CD1-CD1 4.24Å
350	E	95.4	Very high	93.5	Very high	53 Å²	53	46.4 Å²	46.4	25%	0.248	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-62.1	-34	178.9	-171.2	171.6	-169.4	0	0	112	I342 R343 K347 S348 D352 L353	I342-E350 HydrophobicContact CG2-CB 4.11Å; R343-E350 WeakPolarHBondContact CG-OE2 3.46Å; R343-E350 IonicContact CZ-OE1 3.98Å; R343-E350 VanDerWaalsContact NE-CD 3.35Å; R343-E350 IonicContact NE-OE1 2.72Å; R343-E350 PolarHBondContact NE-OE1 3.39Å; R343-E350 IonicContact NE-OE2 3.04Å; R343-E350 PolarHBondContact NE-OE2 3.13Å; R343-E350 IonicContact NH2-OE1 2.86Å; R343-E350 PolarHBondContact NH2-OE1 2.54Å; K347-E350 WeakPolarHBondContact O-CB 3.48Å; K347-E350 PolarHBondContact O-N 3.31Å; S348-E350 VanDerWaalsContact C-N 3.3Å; E350-D352 PolarHBondContact O-N 2.79Å; E350-L353 PolarHBondContact O-N 2.76Å; E350-L353 VanDerWaalsContact O-N 3.12Å
351	D	95.7	Very high	92.7	Very high	137 Å²	137	54.2 Å²	54.2	73%	0.733	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.1	177.6	-57.6	-36.9	0	0	0	113	L349	L349-D351 PolarHBondContact O-N 3.15Å
352	D	98	Very high	92	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.064	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-90.7	-1.8	178.7	-65.8	-35.4	0	0	0	113.1	P245 A246 K249 W250 L349 E350	P245-D352 HydrophobicContact CB-CB 3.98Å; P245-D352 VanDerWaalsContact CD-O 3.31Å; P245-D352 WeakPolarHBondContact CD-O 3.27Å; A246-D352 HydrophobicContact CB-CB 3.95Å; A246-D352 VanDerWaalsContact CB-O 3.29Å; A246-D352 WeakPolarHBondContact CB-O 3.48Å; A246-D352 PolarHBondContact N-O 3.44Å; K249-D352 WeakPolarHBondContact CD-OD1 3.43Å; K249-D352 WeakPolarHBondContact CD-OD2 3.46Å; K249-D352 WeakPolarHBondContact CE-OD2 3.26Å; K249-D352 IonicContact NZ-OD1 2.68Å; K249-D352 PolarHBondContact NZ-OD1 3.43Å; K249-D352 IonicContact NZ-OD2 2.78Å; K249-D352 PolarHBondContact NZ-OD2 3.23Å; W250-D352 HydrophobicContact CZ2-CB 4.05Å; W250-D352 PolarHBondContact NE1-OD2 2.63Å; L349-D352 WeakPolarHBondContact O-CB 3.47Å; L349-D352 PolarHBondContact O-N 2.97Å; E350-D352 PolarHBondContact O-N 2.79Å
353	L	96.7	Very high	91.5	Very high	15 Å²	15	58.6 Å²	58.6	8%	0.079	33%	0.326	C	S	.	.			trans	-106.4	127.9	-178.6	-59.9	176.2	0	0	0	110.3	W244 A246 W250 I342 E350 V368 V496 F498	W244-L353 HydrophobicContact CE3-CD2 3.73Å; W244-L353 HydrophobicContact CZ3-CD2 3.89Å; A246-L353 HydrophobicContact CB-CD2 3.77Å; W250-L353 HydrophobicContact CH2-CD1 4.3Å; W250-L353 HydrophobicContact CH2-CD2 3.74Å; W250-L353 HydrophobicContact CH2-CG 4.13Å; W250-L353 HydrophobicContact CZ2-CD2 3.98Å; W250-L353 HydrophobicContact CZ2-CG 4.19Å; I342-L353 HydrophobicContact CD1-CD1 3.79Å; E350-L353 PolarHBondContact O-N 2.76Å; E350-L353 VanDerWaalsContact O-N 3.12Å; L353-V368 HydrophobicContact CD1-CG1 3.94Å; L353-V496 HydrophobicContact CD1-CG1 3.91Å; L353-V496 HydrophobicContact CD2-CG1 4.48Å; L353-V496 HydrophobicContact CD2-CG2 4.35Å; L353-F498 HydrophobicContact CB-CZ 4.18Å; L353-F498 HydrophobicContact CD1-CZ 4.1Å
354	S	92.2	Very high	91.4	Very high	45 Å²	45	61.7 Å²	61.7	32%	0.315	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-95.8	123	177.5	-52.9	0	0	0	0	110.6	W244	W244-S354 WeakPolarHBondContact CZ2-O 3.23Å
355	P	85.2	Confident	91.4	Very high	85 Å²	85	60.2 Å²	60.2	55%	0.552	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-57.4	143.3	173.3	-24.6	34.3	0	0	0	112.2	A360	P355-A360 HydrophobicContact CB-CB 3.68Å
356	L	89.3	Confident	91.4	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.7	123.8	176	-70	169.2	0	0	0	110.1	F358 I359 A360 F389 I471	L356-F358 VanDerWaalsContact C-N 3.29Å; L356-F358 HydrophobicContact CB-CE1 4.06Å; L356-F358 HydrophobicContact CB-CE2 4.16Å; L356-F358 HydrophobicContact CB-CZ 3.85Å; L356-F358 HydrophobicContact CD1-CE2 4.27Å; L356-F358 HydrophobicContact CD1-CZ 3.81Å; L356-F358 HydrophobicContact CD2-CE1 4.12Å; L356-F358 HydrophobicContact CD2-CZ 4.11Å; L356-F358 HydrophobicContact CG-CE1 4.5Å; L356-F358 HydrophobicContact CG-CZ 4.14Å; L356-F358 PolarHBondContact O-N 3.37Å; L356-I359 HydrophobicContact CB-CG2 3.75Å; L356-I359 PolarHBondContact O-N 3.04Å; L356-A360 WeakPolarHBondContact O-CB 3.47Å; L356-A360 PolarHBondContact O-N 3.29Å; L356-F389 HydrophobicContact CD1-CB 4.21Å; L356-F389 HydrophobicContact CD1-CD1 3.22Å; L356-F389 HydrophobicContact CD1-CE1 3.61Å; L356-F389 HydrophobicContact CD1-CG 3.78Å; L356-F389 HydrophobicContact CD1-CZ 4.44Å; L356-I471 HydrophobicContact CD1-CG2 4.35Å; L356-I471 HydrophobicContact CD2-CD1 3.72Å
357	P	90.4	Very high	91.3	Very high	74 Å²	74	63.8 Å²	63.8	48%	0.481	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.4	-167.2	23.2	-33.8	0	0	0	113.8	L218	L218-P357 HydrophobicContact CD1-CG 4.13Å
358	F	90.7	Very high	91.5	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.1	-178	51	-100.1	0	0	0	113.8	L218 P219 N221 F224 F237 L356 F389	L218-F358 HydrophobicContact CB-CD1 4.46Å; L218-F358 HydrophobicContact CB-CE1 4.39Å; L218-F358 HydrophobicContact CD1-CE1 4.44Å; L218-F358 HydrophobicContact CD2-CE1 4.1Å; P219-F358 HydrophobicContact CG-CD1 4.13Å; P219-F358 HydrophobicContact CG-CE1 4.33Å; P219-F358 HydrophobicContact CG-CG 4.47Å; N221-F358 PolarHBondContact ND2-O 2.68Å; N221-F358 WeakPolarHBondContact OD1-CA 3.3Å; F224-F358 HydrophobicContact CB-CB 4.02Å; F224-F358 HydrophobicContact CB-CD2 3.81Å; F224-F358 HydrophobicContact CB-CG 4.02Å; F224-F358 AromaticContact CD1-CD2 3.53Å; F224-F358 HydrophobicContact CD1-CD2 3.53Å; F224-F358 AromaticContact CD1-CE2 4Å; F224-F358 HydrophobicContact CD1-CE2 4Å; F224-F358 HydrophobicContact CD1-CG 4.49Å; F224-F358 AromaticContact CD2-CD2 3.69Å; F224-F358 HydrophobicContact CD2-CD2 3.69Å; F224-F358 AromaticContact CD2-CE2 3.55Å; F224-F358 HydrophobicContact CD2-CE2 3.55Å; F224-F358 HydrophobicContact CD2-CG 4.48Å; F224-F358 HydrophobicContact CD2-CZ 4.25Å; F224-F358 HydrophobicContact CE1-CD2 4.06Å; F224-F358 HydrophobicContact CE1-CE2 4.13Å; F224-F358 HydrophobicContact CE2-CD2 4.21Å; F224-F358 AromaticContact CE2-CE2 3.71Å; F224-F358 HydrophobicContact CE2-CE2 3.71Å; F224-F358 HydrophobicContact CE2-CZ 4.47Å; F224-F358 HydrophobicContact CG-CB 4.46Å; F224-F358 AromaticContact CG-CD2 3.34Å; F224-F358 HydrophobicContact CG-CD2 3.34Å; F224-F358 AromaticContact CG-CE2 3.72Å; F224-F358 HydrophobicContact CG-CE2 3.72Å; F224-F358 HydrophobicContact CG-CG 4.05Å; F224-F358 HydrophobicContact CZ-CD2 4.39Å; F224-F358 HydrophobicContact CZ-CE2 4.02Å; F237-F358 HydrophobicContact CD2-CZ 4.35Å; F237-F358 HydrophobicContact CE1-CZ 4.4Å; F237-F358 HydrophobicContact CE2-CE2 4.49Å; F237-F358 AromaticContact CE2-CZ 3.73Å; F237-F358 HydrophobicContact CE2-CZ 3.73Å; F237-F358 HydrophobicContact CZ-CE1 4.33Å; F237-F358 HydrophobicContact CZ-CE2 4.38Å; F237-F358 AromaticContact CZ-CZ 3.75Å; F237-F358 HydrophobicContact CZ-CZ 3.75Å; L356-F358 VanDerWaalsContact C-N 3.29Å; L356-F358 HydrophobicContact CB-CE1 4.06Å; L356-F358 HydrophobicContact CB-CE2 4.16Å; L356-F358 HydrophobicContact CB-CZ 3.85Å; L356-F358 HydrophobicContact CD1-CE2 4.27Å; L356-F358 HydrophobicContact CD1-CZ 3.81Å; L356-F358 HydrophobicContact CD2-CE1 4.12Å; L356-F358 HydrophobicContact CD2-CZ 4.11Å; L356-F358 HydrophobicContact CG-CE1 4.5Å; L356-F358 HydrophobicContact CG-CZ 4.14Å; L356-F358 PolarHBondContact O-N 3.37Å; F358-F389 AromaticContact CE2-CE1 3.74Å; F358-F389 HydrophobicContact CE2-CE1 3.74Å; F358-F389 HydrophobicContact CE2-CZ 4.02Å; F358-F389 HydrophobicContact CZ-CE1 4.01Å
359	I	90	Very high	91.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-27.7	-178.1	-163	169.2	0	0	0	113.2	F224 L356 K361 T362 M363 F389 Y500	F224-I359 HydrophobicContact CE1-CD1 4.44Å; L356-I359 HydrophobicContact CB-CG2 3.75Å; L356-I359 PolarHBondContact O-N 3.04Å; I359-K361 PolarHBondContact O-N 3.22Å; I359-T362 PolarHBondContact O-N 3.14Å; I359-T362 PolarHBondContact O-OG1 2.92Å; I359-M363 HydrophobicContact CD1-CE 3.64Å; I359-M363 HydrophobicContact CG1-CB 4.21Å; I359-M363 HydrophobicContact CG1-CE 3.73Å; I359-M363 PolarHBondContact O-N 3.11Å; I359-F389 HydrophobicContact CD1-CD2 4.45Å; I359-F389 HydrophobicContact CD1-CE2 3.38Å; I359-F389 HydrophobicContact CD1-CZ 3.65Å; I359-Y500 HydrophobicContact CD1-CD1 3.97Å; I359-Y500 HydrophobicContact CD1-CD2 3.93Å; I359-Y500 HydrophobicContact CD1-CE1 4.11Å; I359-Y500 HydrophobicContact CD1-CE2 4.06Å; I359-Y500 HydrophobicContact CD1-CG 3.88Å; I359-Y500 HydrophobicContact CG1-CD1 4.31Å; I359-Y500 HydrophobicContact CG1-CE1 4.18Å; I359-Y500 HydrophobicContact CG2-CE1 4.25Å; I359-Y500 HydrophobicContact CG2-CE2 4.39Å
360	A	86.3	Confident	91.6	Very high	45 Å²	45	53.8 Å²	53.8	37%	0.372	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20	-173	0	0	0	0	0	114.6	P355 L356	P355-A360 HydrophobicContact CB-CB 3.68Å; L356-A360 WeakPolarHBondContact O-CB 3.47Å; L356-A360 PolarHBondContact O-N 3.29Å
361	K	80.7	Confident	91.7	Very high	178 Å²	178	52.4 Å²	52.4	77%	0.774	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-25.2	176.1	-65.5	-174	-178.1	174.6	0	113.4	I359	I359-K361 PolarHBondContact O-N 3.22Å
362	T	81.3	Confident	91.8	Very high	91 Å²	91	45.9 Å²	45.9	56%	0.558	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-36.1	-172.7	53	0	0	0	0	111.8	I359	I359-T362 PolarHBondContact O-N 3.14Å; I359-T362 PolarHBondContact O-OG1 2.92Å
363	M	87.4	Confident	91.8	Very high	42 Å²	42	45.3 Å²	45.3	21%	0.207	25%	0.247	C	C	.	.			trans	-136.6	154.1	-176.3	-63.2	-173.3	-87	0	0	112.1	L229 I359 Y500	L229-M363 HydrophobicContact CD1-CE 4.47Å; L229-M363 HydrophobicContact CD2-CE 3.9Å; I359-M363 HydrophobicContact CD1-CE 3.64Å; I359-M363 HydrophobicContact CG1-CB 4.21Å; I359-M363 HydrophobicContact CG1-CE 3.73Å; I359-M363 PolarHBondContact O-N 3.11Å; M363-Y500 HydrophobicContact CB-CD1 3.7Å; M363-Y500 HydrophobicContact CB-CE1 4.3Å
364	K	90.4	Very high	91.7	Very high	175 Å²	175	45 Å²	45	76%	0.761	25%	0.246	S	C	*	.			trans	-110.8	143.9	169.8	-68	-176.1	179.6	-179	0	109.1	S366 Y500	K364-S366 PolarHBondContact O-N 3.4Å; K364-Y500 VanDerWaalsContact C-CD1 3.42Å; K364-Y500 WeakPolarHBondContact O-CD1 3.37Å
365	P	93.3	Very high	91.8	Very high	24 Å²	24	43 Å²	43	16%	0.156	23%	0.233	C	C	.	.			trans	-68	129.6	176.8	28.2	-33.6	0	0	0	109.9	H367 V368 F498 W499 Y500	P365-H367 VanDerWaalsContact C-N 3.34Å; P365-V368 HydrophobicContact CB-CG2 4Å; P365-V368 HydrophobicContact CG-CG2 3.84Å; P365-F498 HydrophobicContact CB-CB 4.32Å; P365-F498 HydrophobicContact CB-CD1 4.24Å; P365-F498 HydrophobicContact CG-CD1 4.24Å; P365-W499 CarbonylContact C-O 3.52Å; P365-W499 WeakPolarHBondContact CA-O 3.22Å; P365-Y500 HydrophobicContact CB-CD1 4.32Å; P365-Y500 HydrophobicContact CB-CE1 4.05Å; P365-Y500 HydrophobicContact CB-CE2 4.36Å; P365-Y500 HydrophobicContact CG-CE1 4.35Å
366	S	93.3	Very high	92.1	Very high	55 Å²	55	40.2 Å²	40.2	39%	0.385	21%	0.213	S	C	.	.	S	Bend	trans	-64	-42.2	168.6	-58.6	0	0	0	0	110.3	K364 W499	K364-S366 PolarHBondContact O-N 3.4Å; S366-W499 WeakPolarHBondContact CB-O 3.43Å; S366-W499 PolarHBondContact N-O 2.82Å
367	H	94.9	Very high	92.4	Very high	78 Å²	78	40 Å²	40	36%	0.361	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.3	178.1	-53.6	-86.6	0	0	0	111.7	P365 W499	P365-H367 VanDerWaalsContact C-N 3.34Å; H367-W499 HydrophobicContact CB-CB 4.16Å; H367-W499 HydrophobicContact CB-CE3 4.04Å; H367-W499 AromaticContact CD2-CE3 3.9Å; H367-W499 PolarHBondContact N-O 3.28Å; H367-W499 PolarHBondContact O-N 3.19Å
368	V	96.5	Very high	92.7	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.6	169.5	-171.7	0	0	0	0	106.9	I342 L353 P365 V496 N497 F498	I342-V368 HydrophobicContact CD1-CG1 4.06Å; I342-V368 PolarHBondContact N-O 3.38Å; L353-V368 HydrophobicContact CD1-CG1 3.94Å; P365-V368 HydrophobicContact CB-CG2 4Å; P365-V368 HydrophobicContact CG-CG2 3.84Å; V368-V496 HydrophobicContact CG1-CG1 4Å; V368-N497 WeakPolarHBondContact CA-O 3.38Å; V368-F498 HydrophobicContact CG1-CD1 4.09Å; V368-F498 HydrophobicContact CG1-CE1 3.91Å; V368-F498 HydrophobicContact CG1-CZ 4.4Å; V368-F498 HydrophobicContact CG2-CD1 3.85Å; V368-F498 HydrophobicContact CG2-CE1 4.15Å
369	N	97.8	Very high	92.9	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.032	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.5	-173.5	-47.3	-54.3	0	0	0	111.4	T340 V496 N497	T340-N369 CarbonylContact O-C 3.6Å; T340-N369 VanDerWaalsContact O-CA 3.31Å; T340-N369 WeakPolarHBondContact O-CA 3.38Å; N369-V496 CarbonylContact O-C 3.47Å; N369-V496 VanDerWaalsContact O-CA 3.27Å; N369-V496 WeakPolarHBondContact O-CA 3.05Å; N369-V496 WeakPolarHBondContact O-CG1 3.39Å; N369-N497 WeakPolarHBondContact CB-OD1 3.42Å; N369-N497 PolarHBondContact N-O 3.35Å; N369-N497 PolarHBondContact ND2-OD1 3.08Å; N369-N497 PolarHBondContact O-N 3.29Å
370	I	98	Very high	93.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.2	168.9	-169.2	168.9	0	0	0	109.9	W250 L337 T340 I342 F346 L349 L494	W250-I370 HydrophobicContact CE3-CD1 4.48Å; W250-I370 HydrophobicContact CZ3-CD1 4.04Å; L337-I370 HydrophobicContact CD2-CG2 4.05Å; T340-I370 HydrophobicContact CG2-CG2 4Å; T340-I370 WeakPolarHBondContact O-CG2 3.31Å; T340-I370 PolarHBondContact O-N 3.27Å; I342-I370 HydrophobicContact CD1-CB 4.07Å; I342-I370 HydrophobicContact CG1-CB 3.79Å; I342-I370 HydrophobicContact CG1-CG2 4.2Å; F346-I370 HydrophobicContact CD2-CG2 3.94Å; F346-I370 HydrophobicContact CE2-CG2 3.91Å; L349-I370 HydrophobicContact CD1-CD1 4.24Å; I370-L494 HydrophobicContact CD1-CD1 3.87Å; I370-L494 HydrophobicContact CG1-CD1 3.8Å
371	W	98.3	Very high	93.6	Very high	24 Å²	24	36.6 Å²	36.6	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.8	178	-58.4	86.3	0	0	0	108.9	Y336 L337 E338 Y339 L494 A495 N497	Y336-W371 AromaticContact CE1-CE3 3.92Å; Y336-W371 HydrophobicContact CE1-CE3 3.92Å; Y336-W371 HydrophobicContact CE1-CZ3 4.1Å; Y336-W371 HydrophobicContact CE2-CB 4.04Å; Y336-W371 AromaticContact CE2-CE3 3.98Å; Y336-W371 HydrophobicContact CE2-CE3 3.98Å; Y336-W371 AromaticContact CZ-CE3 3.41Å; Y336-W371 VanDerWaalsContact CZ-CE3 3.41Å; L337-W371 VanDerWaalsContact O-CA 3.3Å; L337-W371 WeakPolarHBondContact O-CA 3.34Å; E338-W371 HydrophobicContact CB-CE3 3.59Å; E338-W371 HydrophobicContact CB-CH2 4.47Å; E338-W371 HydrophobicContact CB-CZ3 3.43Å; E338-W371 VanDerWaalsContact CB-CZ3 3.43Å; Y339-W371 AromaticContact CD1-CH2 3.63Å; Y339-W371 HydrophobicContact CD1-CH2 3.63Å; Y339-W371 AromaticContact CD1-CZ2 3.87Å; Y339-W371 HydrophobicContact CD1-CZ2 3.87Å; Y339-W371 AromaticContact CD2-CH2 3.91Å; Y339-W371 HydrophobicContact CD2-CH2 3.91Å; Y339-W371 HydrophobicContact CD2-CZ3 4.1Å; Y339-W371 AromaticContact CE1-CH2 3.41Å; Y339-W371 HydrophobicContact CE1-CH2 3.41Å; Y339-W371 VanDerWaalsContact CE1-CH2 3.41Å; Y339-W371 AromaticContact CE1-CZ2 3.89Å; Y339-W371 HydrophobicContact CE1-CZ2 3.89Å; Y339-W371 HydrophobicContact CE1-CZ3 4.45Å; Y339-W371 AromaticContact CE2-CH2 3.69Å; Y339-W371 HydrophobicContact CE2-CH2 3.69Å; Y339-W371 AromaticContact CE2-CZ3 3.97Å; Y339-W371 HydrophobicContact CE2-CZ3 3.97Å; Y339-W371 AromaticContact CG-CH2 3.89Å; Y339-W371 HydrophobicContact CG-CH2 3.89Å; Y339-W371 HydrophobicContact CG-CZ2 4.35Å; Y339-W371 HydrophobicContact CG-CZ3 4.39Å; Y339-W371 AromaticContact CZ-CH2 3.45Å; Y339-W371 VanDerWaalsContact CZ-CH2 3.45Å; W371-L494 WeakPolarHBondContact O-CA 3.39Å; W371-A495 HydrophobicContact CB-CB 4.31Å; W371-A495 PolarHBondContact N-O 2.99Å; W371-A495 PolarHBondContact O-N 2.95Å; W371-N497 PolarHBondContact NE1-OD1 3.47Å
372	L	98.1	Very high	94.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.3	-175.7	175.6	60.5	0	0	0	110.6	F317 F320 L321 Y336 L337 R492 N493 L494	F317-L372 HydrophobicContact CE2-CD2 3.92Å; F317-L372 HydrophobicContact CZ-CD2 3.96Å; F320-L372 HydrophobicContact CD1-CD2 4.48Å; F320-L372 HydrophobicContact CE1-CB 4.33Å; F320-L372 HydrophobicContact CE1-CD2 3.77Å; F320-L372 HydrophobicContact CE1-CG 3.81Å; F320-L372 HydrophobicContact CZ-CG 4.32Å; F320-L372 VanDerWaalsContact CZ-O 3.32Å; F320-L372 WeakPolarHBondContact CZ-O 3.5Å; L321-L372 HydrophobicContact CD2-CD2 3.85Å; Y336-L372 WeakPolarHBondContact CD2-O 3.25Å; L337-L372 HydrophobicContact CB-CB 4.19Å; L337-L372 HydrophobicContact CD2-CB 4.41Å; L337-L372 PolarHBondContact N-O 3.31Å; L337-L372 PolarHBondContact O-N 3.37Å; L372-R492 HydrophobicContact CD1-CG 4.42Å; L372-R492 VanDerWaalsContact CD1-NH1 3.32Å; L372-N493 WeakPolarHBondContact CA-O 3.49Å; L372-N493 WeakPolarHBondContact CD1-O 3.41Å; L372-L494 HydrophobicContact CB-CD1 4.16Å; L372-L494 HydrophobicContact CD1-CB 4.15Å; L372-L494 HydrophobicContact CD1-CD1 4.14Å
373	S	96.9	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	179.1	179.9	68.7	0	0	0	0	112.3	A335 G375 T377 R492 N493	A335-S373 WeakPolarHBondContact O-CB 3.23Å; S373-G375 PolarHBondContact O-N 3.11Å; S373-G375 PolarHBondContact OG-N 3.28Å; S373-T377 VanDerWaalsContact OG-CG2 3.3Å; S373-T377 WeakPolarHBondContact OG-CG2 3.41Å; S373-R492 CarbonylContact O-C 3.53Å; S373-R492 VanDerWaalsContact O-CA 3.31Å; S373-R492 WeakPolarHBondContact O-CA 3.41Å; S373-R492 VanDerWaalsContact O-CB 3.31Å; S373-R492 WeakPolarHBondContact O-CB 3.32Å; S373-N493 PolarHBondContact N-O 3.3Å; S373-N493 PolarHBondContact O-N 3.2Å
374	N	94.3	Very high	95.3	Very high	9 Å²	9	24.9 Å²	24.9	5%	0.048	13%	0.128	C	C	.	.	S	Bend	trans	-72.9	6.2	167.5	66.7	-9.7	0	0	0	113.2	V324 Q328 S334 N376	V324-N374 HydrophobicContact CB-CB 4.09Å; V324-N374 HydrophobicContact CG1-CB 4.38Å; Q328-N374 PolarHBondContact OE1-ND2 3.16Å; S334-N374 PolarHBondContact OG-ND2 2.61Å; S334-N374 PolarHBondContact OG-OD1 2.68Å; N374-N376 VanDerWaalsContact C-N 3.29Å; N374-N376 PolarHBondContact O-N 2.86Å; N374-N376 WeakPolarHBondContact OD1-CB 3.18Å; N374-N376 PolarHBondContact OD1-N 3.09Å
375	G	94.1	Very high	95.5	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	10%	0.104	C	C	.	.	S	Bend	trans	71.9	17.5	-174.9	0	0	0	0	0	114.7	S373 S484 F485 P486	S373-G375 PolarHBondContact O-N 3.11Å; S373-G375 PolarHBondContact OG-N 3.28Å; G375-S484 CarbonylContact O-C 3.56Å; G375-F485 VanDerWaalsContact O-CA 3.24Å; G375-F485 WeakPolarHBondContact O-CA 3.38Å; G375-F485 PolarHBondContact O-N 2.04Å; G375-P486 WeakPolarHBondContact O-CD 3.26Å
376	N	92.9	Very high	95.5	Very high	25 Å²	25	20.3 Å²	20.3	13%	0.134	11%	0.105	C	C	.	.			trans	-116.2	69	170.2	-174.3	36.7	0	0	0	109.4	G272 K330 S334 N374	G272-N376 VanDerWaalsContact CA-O 3.24Å; G272-N376 WeakPolarHBondContact CA-O 3.42Å; K330-N376 PolarHBondContact O-ND2 3.05Å; K330-N376 PolarHBondContact O-OD1 3.5Å; S334-N376 VanDerWaalsContact CB-O 3.31Å; S334-N376 WeakPolarHBondContact CB-O 3.49Å; S334-N376 PolarHBondContact OG-O 3.39Å; N374-N376 VanDerWaalsContact C-N 3.29Å; N374-N376 PolarHBondContact O-N 2.86Å; N374-N376 WeakPolarHBondContact OD1-CB 3.18Å; N374-N376 PolarHBondContact OD1-N 3.09Å
377	T	95.3	Very high	95.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	9%	0.087	C	C	.	.			trans	-133.5	125.7	-178.3	65.7	0	0	0	0	110	G272 F274 Y336 S373 Q483 S484	G272-T377 CarbonylContact O-C 3.58Å; G272-T377 VanDerWaalsContact O-CA 3.28Å; G272-T377 WeakPolarHBondContact O-CA 2.89Å; F274-T377 HydrophobicContact CD2-CG2 3.92Å; F274-T377 HydrophobicContact CE2-CG2 3.57Å; F274-T377 HydrophobicContact CZ-CG2 4.28Å; Y336-T377 HydrophobicContact CD1-CG2 3.82Å; Y336-T377 HydrophobicContact CD2-CG2 4.19Å; Y336-T377 HydrophobicContact CE1-CG2 4.15Å; Y336-T377 HydrophobicContact CE2-CG2 4.46Å; Y336-T377 HydrophobicContact CG-CG2 3.81Å; S373-T377 VanDerWaalsContact OG-CG2 3.3Å; S373-T377 WeakPolarHBondContact OG-CG2 3.41Å; T377-Q483 PolarHBondContact O-NE2 3.5Å; T377-S484 PolarHBondContact O-N 3.32Å; T377-S484 WeakPolarHBondContact OG1-CB 3.23Å; T377-S484 PolarHBondContact OG1-OG 3.43Å
378	L	95.2	Very high	95.8	Very high	15 Å²	15	14.4 Å²	14.4	8%	0.079	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.1	173.3	-178	64.9	0	0	0	108.9	G272 I273 F274 K380 E481 V482 Q483	G272-L378 PolarHBondContact O-N 3.3Å; I273-L378 HydrophobicContact CG1-CD2 4.27Å; F274-L378 PolarHBondContact N-O 2.81Å; L378-K380 HydrophobicContact CD2-CG 4.35Å; L378-K380 HydrophobicContact CG-CG 4.46Å; L378-E481 HydrophobicContact CD1-CG 3.69Å; L378-V482 WeakPolarHBondContact CA-O 3.46Å; L378-Q483 HydrophobicContact CD1-CB 4.02Å
379	G	95.6	Very high	95.9	Very high	14 Å²	14	14.3 Å²	14.3	14%	0.144	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.2	163.1	0	0	0	0	0	108.5	E481 V482	G379-E481 WeakPolarHBondContact O-CA 3.08Å; G379-E481 WeakPolarHBondContact O-CG 3.4Å; G379-V482 PolarHBondContact N-O 3.24Å; G379-V482 PolarHBondContact O-N 2.65Å
380	K	95.7	Very high	95.9	Very high	23 Å²	23	14.6 Å²	14.6	10%	0.1	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	173.7	-178.2	-69.3	-163.3	-176.2	-169.8	0	112.2	E275 L378 H382 D444	E275-K380 VanDerWaalsContact O-CB 3.24Å; E275-K380 WeakPolarHBondContact O-CB 3.5Å; E275-K380 VanDerWaalsContact O-CG 3.26Å; E275-K380 WeakPolarHBondContact O-CG 3.49Å; E275-K380 PolarHBondContact O-N 2.91Å; L378-K380 HydrophobicContact CD2-CG 4.35Å; L378-K380 HydrophobicContact CG-CG 4.46Å; K380-H382 PolarHBondContact O-N 3.31Å; K380-H382 PolarHBondContact O-ND1 3.32Å; K380-D444 IonicContact NZ-OD2 3.4Å; K380-D444 PolarHBondContact NZ-OD2 2.69Å
381	L	95.7	Very high	96	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	104.7	-171.6	-164.1	63.5	0	0	0	115.3	T402 L410 M440 I443 I445 W461 W479 H480	L381-T402 HydrophobicContact CD1-CG2 4.44Å; L381-L410 HydrophobicContact CD2-CD2 4.12Å; L381-M440 WeakPolarHBondContact O-CE 3.33Å; L381-I443 HydrophobicContact CD2-CB 4.09Å; L381-I443 HydrophobicContact CD2-CG2 4.1Å; L381-I445 HydrophobicContact CD2-CG2 4.21Å; L381-W461 HydrophobicContact CD1-CZ3 4.09Å; L381-W461 HydrophobicContact CD2-CH2 4.12Å; L381-W461 HydrophobicContact CD2-CZ3 4.41Å; L381-W479 HydrophobicContact CD1-CB 4Å; L381-W479 HydrophobicContact CG-CE3 4.07Å; L381-H480 WeakPolarHBondContact CA-O 3.45Å
382	H	95.4	Very high	96	Very high	19 Å²	19	13.4 Å²	13.4	9%	0.088	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	180	175.8	65	-76.8	0	0	0	110.9	E275 K380 M440 W479 H480	E275-H382 IonicContact OE2-CD2 2.76Å; E275-H382 IonicContact OE2-CE1 3.15Å; E275-H382 PolarHBondContact OE2-CE1 2.99Å; E275-H382 IonicContact OE2-CG 3.81Å; E275-H382 IonicContact OE2-ND1 2.7Å; E275-H382 PolarHBondContact OE2-ND1 2.94Å; E275-H382 IonicContact OE2-NE2 3.18Å; K380-H382 PolarHBondContact O-N 3.31Å; K380-H382 PolarHBondContact O-ND1 3.32Å; H382-M440 HydrophobicContact CB-CE 3.74Å; H382-M440 HydrophobicContact CB-SD 3.61Å; H382-W479 CarbonylContact O-C 3.56Å; H382-W479 VanDerWaalsContact O-CA 3.25Å; H382-W479 WeakPolarHBondContact O-CA 3.16Å; H382-H480 AromaticContact CD2-NE2 3.88Å; H382-H480 AromaticContact CE1-CD2 3.93Å; H382-H480 AromaticContact CE1-NE2 3.73Å; H382-H480 PolarHBondContact N-O 3.14Å; H382-H480 VanDerWaalsContact N-O 3.07Å; H382-H480 AromaticContact NE2-CD2 3.97Å; H382-H480 AromaticContact NE2-CE1 3.91Å; H382-H480 AromaticContact NE2-NE2 3.29Å; H382-H480 PolarHBondContact NE2-NE2 3.28Å; H382-H480 PolarHBondContact O-N 3.46Å; H382-H480 PolarHBondContact O-ND1 3.1Å
383	F	95.6	Very high	96	Very high	24 Å²	24	13.5 Å²	13.5	11%	0.105	7%	0.068	C	C	.	.			trans	-133.6	159.5	167.6	66.5	-101.6	0	0	0	111	E412 T439 F477 W478 W479 F508	F383-E412 WeakPolarHBondContact CE1-OE1 3.39Å; F383-T439 HydrophobicContact CE1-CG2 3.79Å; F383-T439 HydrophobicContact CZ-CG2 3.92Å; F383-F477 WeakPolarHBondContact CB-O 3.5Å; F383-F477 AromaticContact CD2-CD1 3.71Å; F383-F477 HydrophobicContact CD2-CD1 3.71Å; F383-F477 HydrophobicContact CD2-CE1 4.44Å; F383-F477 AromaticContact CE2-CD1 3.6Å; F383-F477 HydrophobicContact CE2-CD1 3.6Å; F383-F477 HydrophobicContact CE2-CE1 4.01Å; F383-F477 HydrophobicContact CZ-CD1 4.35Å; F383-W478 WeakPolarHBondContact CB-O 3.44Å; F383-W479 AromaticContact CD1-CD2 3.94Å; F383-W479 HydrophobicContact CD1-CD2 3.94Å; F383-W479 AromaticContact CD1-CE2 3.61Å; F383-W479 HydrophobicContact CD1-CE3 4.1Å; F383-W479 AromaticContact CD1-CH2 3.69Å; F383-W479 HydrophobicContact CD1-CH2 3.69Å; F383-W479 AromaticContact CD1-CZ2 3.49Å; F383-W479 HydrophobicContact CD1-CZ2 3.49Å; F383-W479 VanDerWaalsContact CD1-CZ2 3.49Å; F383-W479 AromaticContact CD1-CZ3 3.97Å; F383-W479 HydrophobicContact CD1-CZ3 3.97Å; F383-W479 AromaticContact CE1-CH2 3.82Å; F383-W479 HydrophobicContact CE1-CH2 3.82Å; F383-W479 AromaticContact CE1-CZ2 3.62Å; F383-W479 HydrophobicContact CE1-CZ2 3.62Å; F383-W479 HydrophobicContact CE1-CZ3 4.5Å; F383-F508 HydrophobicContact CE2-CD1 4.32Å; F383-F508 HydrophobicContact CE2-CD2 4.25Å; F383-F508 HydrophobicContact CE2-CG 4.15Å; F383-F508 HydrophobicContact CZ-CB 3.86Å; F383-F508 HydrophobicContact CZ-CD1 4.35Å; F383-F508 AromaticContact CZ-CD2 3.94Å; F383-F508 HydrophobicContact CZ-CD2 3.94Å; F383-F508 AromaticContact CZ-CG 3.79Å; F383-F508 HydrophobicContact CZ-CG 3.79Å
384	D	94.8	Very high	96	Very high	22 Å²	22	15 Å²	15	12%	0.118	7%	0.074	C	C	.	.			trans	-107.5	147.3	169.6	-69.5	-42.2	0	0	0	110.2	Y386 N388 F477 H480 W499	D384-Y386 HydrophobicContact CB-CD2 4.49Å; D384-Y386 PolarHBondContact O-N 3.2Å; D384-N388 PolarHBondContact OD2-ND2 2.99Å; D384-F477 PolarHBondContact O-N 3.41Å; D384-H480 IonicContact OD2-CE1 2.79Å; D384-H480 IonicContact OD2-NE2 3.88Å; D384-W499 WeakPolarHBondContact OD1-CZ2 3.21Å; D384-W499 PolarHBondContact OD2-NE1 3.25Å
385	E	92.7	Very high	96.1	Very high	59 Å²	59	14.8 Å²	14.8	28%	0.276	7%	0.074	S	C	.	.	S	Bend	trans	-85.1	18.3	174.7	63.8	168.1	171.5	0	0	113.8	F477 R502	E385-F477 HydrophobicContact CB-CE1 4.1Å; E385-F477 HydrophobicContact CB-CZ 4.19Å; E385-R502 WeakPolarHBondContact O-CB 3.3Å; E385-R502 WeakPolarHBondContact O-CD 3.45Å; E385-R502 IonicContact OE2-CZ 3.49Å; E385-R502 IonicContact OE2-NH1 3.85Å; E385-R502 PolarHBondContact OE2-NH1 2.99Å; E385-R502 IonicContact OE2-NH2 3.87Å
386	Y	95.1	Very high	96.3	Very high	44 Å²	44	18.3 Å²	18.3	17%	0.173	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.5	-173.2	-62.3	-81	0	0	0	111	D384 N388 S476 W499	D384-Y386 HydrophobicContact CB-CD2 4.49Å; D384-Y386 PolarHBondContact O-N 3.2Å; Y386-N388 PolarHBondContact O-N 3.15Å; Y386-N388 VanDerWaalsContact O-N 3.14Å; Y386-S476 WeakPolarHBondContact O-CA 3.32Å; Y386-W499 HydrophobicContact CD1-CB 3.79Å; Y386-W499 HydrophobicContact CD1-CG 4.28Å; Y386-W499 HydrophobicContact CD2-CB 4.25Å; Y386-W499 AromaticContact CD2-CD2 3.49Å; Y386-W499 HydrophobicContact CD2-CD2 3.49Å; Y386-W499 VanDerWaalsContact CD2-CD2 3.49Å; Y386-W499 AromaticContact CD2-CE2 3.89Å; Y386-W499 AromaticContact CD2-CE3 3.55Å; Y386-W499 HydrophobicContact CD2-CE3 3.55Å; Y386-W499 AromaticContact CD2-CG 3.84Å; Y386-W499 HydrophobicContact CD2-CG 3.84Å; Y386-W499 HydrophobicContact CD2-CH2 4.35Å; Y386-W499 HydrophobicContact CD2-CZ2 4.32Å; Y386-W499 AromaticContact CD2-CZ3 4Å; Y386-W499 HydrophobicContact CD2-CZ3 4Å; Y386-W499 HydrophobicContact CE2-CD2 4.01Å; Y386-W499 AromaticContact CE2-CE3 3.55Å; Y386-W499 HydrophobicContact CE2-CE3 3.55Å; Y386-W499 HydrophobicContact CE2-CH2 4.33Å; Y386-W499 AromaticContact CE2-CZ3 3.73Å; Y386-W499 HydrophobicContact CE2-CZ3 3.73Å; Y386-W499 HydrophobicContact CG-CB 3.65Å; Y386-W499 AromaticContact CG-CD2 3.83Å; Y386-W499 HydrophobicContact CG-CD2 3.83Å; Y386-W499 HydrophobicContact CG-CE3 4.13Å; Y386-W499 AromaticContact CG-CG 3.65Å; Y386-W499 HydrophobicContact CG-CG 3.65Å
387	E	96.3	Very high	96.5	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	107.5	161	-55.8	-45.7	149.1	0	0	107.7	L229 Y473 P475 S476 Y500 P501 R502 F503	L229-E387 HydrophobicContact CD1-CG 4.04Å; E387-Y473 HydrophobicContact CB-CE2 4.1Å; E387-Y473 PolarHBondContact OE2-OH 3.05Å; E387-P475 WeakPolarHBondContact OE2-CA 3.19Å; E387-S476 WeakPolarHBondContact OE1-CB 2.84Å; E387-S476 PolarHBondContact OE1-OG 3.28Å; E387-S476 PolarHBondContact OE2-N 3.39Å; E387-Y500 PolarHBondContact N-O 3.27Å; E387-Y500 VanDerWaalsContact N-O 3.09Å; E387-Y500 PolarHBondContact O-N 3.47Å; E387-P501 WeakPolarHBondContact CG-O 3.41Å; E387-R502 WeakPolarHBondContact OE1-CA 3.46Å; E387-F503 PolarHBondContact OE1-N 2.81Å
388	N	97.9	Very high	96.7	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.037	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.8	-165.2	-176.5	-0	0	0	0	110.8	D384 Y386 I474 N497 F498 W499	D384-N388 PolarHBondContact OD2-ND2 2.99Å; Y386-N388 PolarHBondContact O-N 3.15Å; Y386-N388 VanDerWaalsContact O-N 3.14Å; N388-I474 HydrophobicContact CB-CB 4.23Å; N388-I474 PolarHBondContact N-O 3.44Å; N388-I474 PolarHBondContact O-N 2.95Å; N388-N497 WeakPolarHBondContact OD1-CB 3.39Å; N388-N497 PolarHBondContact OD1-ND2 3.07Å; N388-F498 WeakPolarHBondContact CA-O 3.02Å; N388-W499 VanDerWaalsContact CG-CD1 3.43Å; N388-W499 VanDerWaalsContact CG-NE1 3.31Å; N388-W499 PolarHBondContact ND2-NE1 3.1Å; N388-W499 VanDerWaalsContact ND2-NE1 3.12Å
389	F	98.1	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	97.8	171.8	-67.5	-98.1	0	0	0	109.7	F224 F237 L356 F358 I359 C391 I471 L472 Y473 N497 F498 Y500	F224-F389 HydrophobicContact CE1-CZ 4.2Å; F224-F389 HydrophobicContact CE2-CE1 4.14Å; F224-F389 HydrophobicContact CE2-CZ 4.05Å; F224-F389 HydrophobicContact CZ-CE1 4.06Å; F224-F389 AromaticContact CZ-CZ 3.5Å; F224-F389 HydrophobicContact CZ-CZ 3.5Å; F224-F389 VanDerWaalsContact CZ-CZ 3.5Å; F237-F389 HydrophobicContact CE2-CD1 4.37Å; F237-F389 HydrophobicContact CE2-CE1 4.03Å; L356-F389 HydrophobicContact CD1-CB 4.21Å; L356-F389 HydrophobicContact CD1-CD1 3.22Å; L356-F389 HydrophobicContact CD1-CE1 3.61Å; L356-F389 HydrophobicContact CD1-CG 3.78Å; L356-F389 HydrophobicContact CD1-CZ 4.44Å; F358-F389 AromaticContact CE2-CE1 3.74Å; F358-F389 HydrophobicContact CE2-CE1 3.74Å; F358-F389 HydrophobicContact CE2-CZ 4.02Å; F358-F389 HydrophobicContact CZ-CE1 4.01Å; I359-F389 HydrophobicContact CD1-CD2 4.45Å; I359-F389 HydrophobicContact CD1-CE2 3.38Å; I359-F389 HydrophobicContact CD1-CZ 3.65Å; F389-C391 PolarHBondContact O-SG 3.29Å; F389-I471 HydrophobicContact CB-CG2 4.2Å; F389-I471 HydrophobicContact CD1-CG2 4.19Å; F389-L472 CarbonylContact C-O 3.52Å; F389-L472 WeakPolarHBondContact CA-O 3.4Å; F389-Y473 HydrophobicContact CD1-CD2 4.18Å; F389-Y473 HydrophobicContact CD2-CD2 4.21Å; F389-Y473 AromaticContact CE1-CD2 3.73Å; F389-Y473 HydrophobicContact CE1-CD2 3.73Å; F389-Y473 HydrophobicContact CE1-CG 4.06Å; F389-Y473 AromaticContact CE2-CD2 3.73Å; F389-Y473 HydrophobicContact CE2-CD2 3.73Å; F389-Y473 HydrophobicContact CE2-CE2 4.03Å; F389-Y473 HydrophobicContact CG-CD2 4.43Å; F389-Y473 AromaticContact CZ-CD2 3.5Å; F389-Y473 HydrophobicContact CZ-CD2 3.5Å; F389-Y473 AromaticContact CZ-CE2 3.97Å; F389-Y473 HydrophobicContact CZ-CE2 3.97Å; F389-Y473 HydrophobicContact CZ-CG 4.21Å; F389-N497 WeakPolarHBondContact O-CA 3.36Å; F389-F498 HydrophobicContact CB-CB 4.3Å; F389-F498 HydrophobicContact CB-CD2 4.45Å; F389-F498 PolarHBondContact N-O 2.66Å; F389-F498 PolarHBondContact O-N 3.18Å; F389-Y500 AromaticContact CD2-CD2 3.65Å; F389-Y500 HydrophobicContact CD2-CD2 3.65Å; F389-Y500 AromaticContact CD2-CE2 3.63Å; F389-Y500 HydrophobicContact CD2-CE2 3.63Å; F389-Y500 AromaticContact CE2-CD2 3.83Å; F389-Y500 HydrophobicContact CE2-CD2 3.83Å; F389-Y500 AromaticContact CE2-CE2 3.96Å; F389-Y500 HydrophobicContact CE2-CE2 3.96Å; F389-Y500 HydrophobicContact CG-CE2 4.5Å
390	L	98.6	Very high	96.9	Very high	13 Å²	13	17 Å²	17	7%	0.068	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.1	179.2	-179.9	63.4	0	0	0	110.4	K397 V399 I466 I471 L472 A495 N497	L390-K397 HydrophobicContact CD1-CD 4.39Å; L390-K397 HydrophobicContact CD2-CD 3.98Å; L390-V399 HydrophobicContact CD2-CG2 4.09Å; L390-I466 HydrophobicContact CB-CD1 4.39Å; L390-I466 HydrophobicContact CD2-CD1 3.74Å; L390-I466 HydrophobicContact CG-CD1 3.71Å; L390-I471 CarbonylContact O-C 3.6Å; L390-I471 WeakPolarHBondContact O-CA 3.5Å; L390-L472 HydrophobicContact CB-CB 4.45Å; L390-L472 PolarHBondContact N-O 3.43Å; L390-L472 PolarHBondContact O-N 2.94Å; L390-A495 HydrophobicContact CD1-CB 4.13Å; L390-N497 HydrophobicContact CD1-CB 4.04Å
391	C	98.5	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.7	-173.6	-50.6	0	0	0	0	110	W244 F389 I471 A495 V496	W244-C391 HydrophobicContact CH2-CB 4.11Å; W244-C391 VanDerWaalsContact CH2-SG 3.58Å; W244-C391 HydrophobicContact CZ3-CB 3.97Å; F389-C391 PolarHBondContact O-SG 3.29Å; C391-I471 HydrophobicContact CB-CG1 4.12Å; C391-A495 CarbonylContact O-C 3.16Å; C391-A495 VanDerWaalsContact O-CA 3.25Å; C391-A495 WeakPolarHBondContact O-CA 3.1Å; C391-A495 WeakPolarHBondContact O-CB 3.37Å; C391-V496 WeakPolarHBondContact CA-O 3.19Å; C391-V496 WeakPolarHBondContact CB-O 3.25Å; C391-V496 PolarHBondContact N-O 3Å; C391-V496 PolarHBondContact O-N 3.46Å
392	Q	98.5	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.2	-177	-170.2	63.3	38.4	0	0	111.1	R394 G395 K397 I466 E467 G469 D470 N493 L494	Q392-R394 PolarHBondContact NE2-O 3.36Å; Q392-G395 VanDerWaalsContact CG-O 3.26Å; Q392-G395 WeakPolarHBondContact CG-O 3.48Å; Q392-G395 PolarHBondContact NE2-O 3.42Å; Q392-K397 VanDerWaalsContact OE1-CD 3.23Å; Q392-K397 VanDerWaalsContact OE1-CG 3.22Å; Q392-I466 HydrophobicContact CB-CB 4.31Å; Q392-I466 HydrophobicContact CB-CD1 3.89Å; Q392-I466 HydrophobicContact CB-CG1 3.99Å; Q392-I466 HydrophobicContact CG-CG1 4.44Å; Q392-E467 WeakPolarHBondContact CB-O 3.37Å; Q392-G469 PolarHBondContact O-N 3.37Å; Q392-D470 PolarHBondContact N-O 3.15Å; Q392-N493 PolarHBondContact NE2-ND2 2.97Å; Q392-N493 VanDerWaalsContact NE2-ND2 3.13Å; Q392-N493 PolarHBondContact NE2-OD1 2.91Å; Q392-L494 PolarHBondContact NE2-O 3.41Å
393	L	97.9	Very high	97	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-38.9	-178.3	-59.8	-179.4	0	0	0	113.1	A246 F247 W250 L494 V496	A246-L393 HydrophobicContact CB-CD1 4.29Å; F247-L393 HydrophobicContact CD2-CD2 4.11Å; W250-L393 HydrophobicContact CE3-CD1 3.68Å; W250-L393 HydrophobicContact CZ3-CD1 3.72Å; L393-L494 WeakPolarHBondContact CA-O 3.45Å; L393-L494 HydrophobicContact CB-CD2 4.15Å; L393-L494 HydrophobicContact CB-CG 4.11Å; L393-L494 HydrophobicContact CD1-CD2 4.17Å; L393-L494 HydrophobicContact CD1-CG 4.27Å; L393-L494 PolarHBondContact N-O 3.46Å; L393-V496 HydrophobicContact CD1-CG2 3.98Å
394	R	97.6	Very high	96.9	Very high	31 Å²	31	14.4 Å²	14.4	12%	0.117	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.1	178.2	-63.8	-68.5	-177.1	-90.4	1.9	111.6	F247 Q392 D487 E490 N493 L494	F247-R394 VanDerWaalsContact O-CZ 3.24Å; F247-R394 PolarHBondContact O-NH1 3.45Å; F247-R394 PolarHBondContact O-NH2 2.95Å; Q392-R394 PolarHBondContact NE2-O 3.36Å; R394-D487 HydrophobicContact CB-CB 4.15Å; R394-E490 WeakPolarHBondContact CD-OE2 3.29Å; R394-E490 WeakPolarHBondContact CG-OE2 3.4Å; R394-E490 IonicContact NE-OE2 2.74Å; R394-E490 PolarHBondContact NE-OE2 2.95Å; R394-N493 WeakPolarHBondContact O-CA 3.31Å; R394-L494 HydrophobicContact CB-CB 3.94Å; R394-L494 HydrophobicContact CG-CB 4.24Å; R394-L494 HydrophobicContact CG-CD2 4.46Å; R394-L494 PolarHBondContact N-O 3.28Å; R394-L494 PolarHBondContact O-N 3.32Å
395	G	97.1	Very high	96.7	Very high	5 Å²	5	16.8 Å²	16.8	5%	0.052	8%	0.077	C	C	.	.	S	Bend	trans	68.7	-166.1	-173.1	0	0	0	0	0	112.5	Q392 P468 F485 D487	Q392-G395 VanDerWaalsContact CG-O 3.26Å; Q392-G395 WeakPolarHBondContact CG-O 3.48Å; Q392-G395 PolarHBondContact NE2-O 3.42Å; G395-P468 WeakPolarHBondContact O-CD 3.47Å; G395-P468 VanDerWaalsContact O-CG 3.3Å; G395-P468 WeakPolarHBondContact O-CG 2.95Å; G395-F485 WeakPolarHBondContact CA-O 3.45Å; G395-D487 VanDerWaalsContact CA-N 3.33Å; G395-D487 PolarHBondContact N-OD2 2.88Å
396	K	97.5	Very high	96.7	Very high	79 Å²	79	14.5 Å²	14.5	34%	0.343	7%	0.068	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.3	-172.4	-175.1	178.6	72.1	177	0	110.8	T465 I466 E467 S484 F485 N493	K396-T465 HydrophobicContact CD-CG2 3.6Å; K396-T465 HydrophobicContact CG-CG2 3.68Å; K396-I466 WeakPolarHBondContact CA-O 3.38Å; K396-I466 VanDerWaalsContact CG-O 3.32Å; K396-I466 WeakPolarHBondContact CG-O 3.38Å; K396-E467 HydrophobicContact CD-CG 4.42Å; K396-E467 HydrophobicContact CG-CG 4.38Å; K396-S484 CarbonylContact O-C 3.58Å; K396-F485 HydrophobicContact CB-CB 4.26Å; K396-F485 HydrophobicContact CB-CD2 4.35Å; K396-F485 HydrophobicContact CG-CD2 4.48Å; K396-F485 PolarHBondContact N-O 3.43Å; K396-F485 PolarHBondContact O-N 3.22Å; K396-N493 PolarHBondContact N-ND2 2.83Å; K396-N493 PolarHBondContact O-ND2 3.2Å
397	K	98.2	Very high	96.5	Very high	3 Å²	3	12.6 Å²	12.6	1%	0.013	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.2	166	-78	179.1	-172.4	-74.4	0	108.9	Y336 L390 Q392 V399 T465 I466 V482 Q483 S484 N493 A495	Y336-K397 PolarHBondContact OH-NZ 3.48Å; L390-K397 HydrophobicContact CD1-CD 4.39Å; L390-K397 HydrophobicContact CD2-CD 3.98Å; Q392-K397 VanDerWaalsContact OE1-CD 3.23Å; Q392-K397 VanDerWaalsContact OE1-CG 3.22Å; K397-V399 HydrophobicContact CB-CG2 4.36Å; K397-T465 CarbonylContact O-C 3.59Å; K397-T465 VanDerWaalsContact O-CA 3.32Å; K397-T465 WeakPolarHBondContact O-CA 3.32Å; K397-I466 HydrophobicContact CB-CD1 4.33Å; K397-I466 HydrophobicContact CB-CG1 3.9Å; K397-I466 PolarHBondContact N-O 2.81Å; K397-I466 PolarHBondContact O-N 2.8Å; K397-V482 HydrophobicContact CB-CG1 4.36Å; K397-V482 HydrophobicContact CD-CG1 4.06Å; K397-V482 HydrophobicContact CG-CG1 4.29Å; K397-Q483 CarbonylContact C-O 3.06Å; K397-Q483 WeakPolarHBondContact CA-O 3.45Å; K397-S484 PolarHBondContact NZ-OG 2.98Å; K397-N493 VanDerWaalsContact CE-OD1 3.32Å; K397-N493 WeakPolarHBondContact CE-OD1 3.47Å; K397-A495 HydrophobicContact CD-CB 4.31Å; K397-A495 VanDerWaalsContact CE-CB 3.47Å
398	Q	97.8	Very high	96.2	Very high	22 Å²	22	16.9 Å²	16.9	10%	0.103	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123	163.3	175.5	-178	71.7	0	0	107.7	F187 I400 T465 V482 Q483 F485	F187-Q398 PolarHBondContact O-NE2 3.16Å; F187-Q398 PolarHBondContact O-OE1 3.45Å; Q398-I400 HydrophobicContact CG-CD1 3.76Å; Q398-I400 HydrophobicContact CG-CG1 4.03Å; Q398-T465 WeakPolarHBondContact CG-OG1 3.27Å; Q398-V482 WeakPolarHBondContact O-CA 3.47Å; Q398-Q483 HydrophobicContact CB-CB 4.47Å; Q398-Q483 PolarHBondContact N-O 3.03Å; Q398-Q483 PolarHBondContact O-N 3.38Å; Q398-F485 HydrophobicContact CB-CE2 3.81Å
399	V	98.5	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110	177.3	-172.5	0	0	0	0	106.9	L390 K397 L401 C464 L472 I474 H480 E481 V482	L390-V399 HydrophobicContact CD2-CG2 4.09Å; K397-V399 HydrophobicContact CB-CG2 4.36Å; V399-L401 HydrophobicContact CB-CD1 4.34Å; V399-L401 HydrophobicContact CG1-CD1 3.79Å; V399-L401 HydrophobicContact CG1-CD2 4.43Å; V399-L401 HydrophobicContact CG1-CG 3.96Å; V399-C464 PolarHBondContact O-N 2.9Å; V399-L472 HydrophobicContact CB-CD2 3.83Å; V399-L472 HydrophobicContact CG1-CD2 3.96Å; V399-L472 HydrophobicContact CG2-CD2 3.84Å; V399-I474 HydrophobicContact CG1-CD1 4.18Å; V399-H480 HydrophobicContact CG1-CB 4.06Å; V399-E481 WeakPolarHBondContact CA-O 2.93Å; V399-V482 HydrophobicContact CG1-CG2 4.28Å; V399-V482 HydrophobicContact CG2-CG1 4.12Å; V399-V482 HydrophobicContact CG2-CG2 4.45Å
400	I	97.9	Very high	95.7	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.1	176.7	-57.9	-56.1	0	0	0	107.4	F187 Q398 I445 W461 L462 N463 H480 E481	F187-I400 HydrophobicContact CD1-CD1 4.3Å; F187-I400 HydrophobicContact CD1-CG1 3.94Å; F187-I400 HydrophobicContact CE1-CD1 4.35Å; F187-I400 HydrophobicContact CE1-CG1 4.03Å; F187-I400 HydrophobicContact CE1-CG2 4.22Å; Q398-I400 HydrophobicContact CG-CD1 3.76Å; Q398-I400 HydrophobicContact CG-CG1 4.03Å; I400-I445 HydrophobicContact CB-CD1 4.06Å; I400-I445 HydrophobicContact CG1-CD1 4.48Å; I400-I445 HydrophobicContact CG2-CD1 3.93Å; I400-W461 HydrophobicContact CG2-CB 4.23Å; I400-W461 HydrophobicContact CG2-CD2 4.41Å; I400-W461 HydrophobicContact CG2-CE3 3.75Å; I400-L462 CarbonylContact C-O 3.59Å; I400-L462 WeakPolarHBondContact CA-O 3.43Å; I400-N463 HydrophobicContact CD1-CB 3.89Å; I400-H480 CarbonylContact O-C 3.57Å; I400-H480 WeakPolarHBondContact O-CA 3.35Å; I400-E481 PolarHBondContact N-O 3Å; I400-E481 PolarHBondContact O-N 2.81Å
401	L	98.1	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	155.5	-177.4	-55.3	101.7	0	0	0	112.7	V399 W461 L462 C464 I474 W478 W479 H480	V399-L401 HydrophobicContact CB-CD1 4.34Å; V399-L401 HydrophobicContact CG1-CD1 3.79Å; V399-L401 HydrophobicContact CG1-CD2 4.43Å; V399-L401 HydrophobicContact CG1-CG 3.96Å; L401-W461 CarbonylContact O-C 3.54Å; L401-W461 WeakPolarHBondContact O-CA 3.39Å; L401-L462 PolarHBondContact N-O 3.14Å; L401-L462 PolarHBondContact O-N 3.42Å; L401-C464 HydrophobicContact CD1-CB 3.44Å; L401-C464 VanDerWaalsContact CD1-CB 3.44Å; L401-C464 WeakPolarHBondContact CD1-SG 3.27Å; L401-I474 HydrophobicContact CD2-CB 4.49Å; L401-I474 HydrophobicContact CD2-CG1 4.33Å; L401-I474 HydrophobicContact CD2-CG2 3.65Å; L401-W478 HydrophobicContact CB-CE3 3.89Å; L401-W478 HydrophobicContact CB-CZ3 4.35Å; L401-W478 HydrophobicContact CD2-CB 4.07Å; L401-W478 HydrophobicContact CD2-CE3 4.23Å; L401-W479 CarbonylContact C-O 3.55Å; L401-W479 WeakPolarHBondContact CA-O 3.35Å; L401-H480 HydrophobicContact CD2-CB 4.04Å; L401-H480 HydrophobicContact CG-CB 3.88Å
402	T	96.8	Very high	95.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.1	168	-167.2	0	0	0	0	111.1	L381 L410 K460 W461 W479	L381-T402 HydrophobicContact CD1-CG2 4.44Å; T402-L410 HydrophobicContact CG2-CD1 3.83Å; T402-L410 HydrophobicContact CG2-CD2 3.7Å; T402-L410 HydrophobicContact CG2-CG 4.45Å; T402-K460 WeakPolarHBondContact CB-O 3.06Å; T402-K460 PolarHBondContact OG1-O 2.88Å; T402-W461 HydrophobicContact CG2-CE3 4.21Å; T402-W461 HydrophobicContact CG2-CH2 4.18Å; T402-W461 HydrophobicContact CG2-CZ3 3.74Å; T402-W479 HydrophobicContact CG2-CB 3.6Å; T402-W479 HydrophobicContact CG2-CG 4.45Å; T402-W479 PolarHBondContact N-O 2.78Å; T402-W479 PolarHBondContact O-N 2.98Å
403	D	93.9	Very high	94.7	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.032	11%	0.106	C	C	.	.			trans	-71.9	124.9	-164.2	-172.9	-18.5	0	0	0	112	K164 L165 Q405 S406	K164-D403 WeakPolarHBondContact CA-OD2 3.4Å; L165-D403 HydrophobicContact CB-CB 3.94Å; L165-D403 PolarHBondContact N-OD2 3.15Å; L165-D403 VanDerWaalsContact N-OD2 3.08Å; D403-Q405 PolarHBondContact O-N 3.1Å; D403-Q405 WeakPolarHBondContact OD1-CB 3.5Å; D403-Q405 WeakPolarHBondContact OD1-CG 3.18Å; D403-Q405 PolarHBondContact OD1-N 2.85Å; D403-Q405 PolarHBondContact OD1-NE2 2.83Å; D403-S406 WeakPolarHBondContact O-CB 3.19Å; D403-S406 PolarHBondContact O-N 2.85Å
404	P	93.3	Very high	94.4	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.032	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-64.7	-15.3	175.8	25.7	-32.7	0	0	0	114.4	S406 N407 F477 W478 F515	P404-S406 PolarHBondContact O-N 2.75Å; P404-N407 VanDerWaalsContact O-CB 3.28Å; P404-N407 WeakPolarHBondContact O-CB 3.28Å; P404-N407 PolarHBondContact O-N 3.36Å; P404-F477 HydrophobicContact CB-CB 4.17Å; P404-F477 WeakPolarHBondContact CB-O 3.32Å; P404-W478 HydrophobicContact CG-CD2 4.41Å; P404-W478 HydrophobicContact CG-CG 4.2Å; P404-F515 HydrophobicContact CB-CE2 3.84Å; P404-F515 HydrophobicContact CB-CZ 3.57Å; P404-F515 HydrophobicContact CG-CE2 3.75Å; P404-F515 HydrophobicContact CG-CZ 3.5Å
405	Q	91	Very high	94.2	Very high	72 Å²	72	21.6 Å²	21.6	34%	0.336	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-71.4	-12.7	170.5	-62.5	175.3	79.3	0	0	112.5	Y163 K164 D403 F515	Y163-Q405 PolarHBondContact O-NE2 3.4Å; K164-Q405 VanDerWaalsContact CE-OE1 3.25Å; D403-Q405 PolarHBondContact O-N 3.1Å; D403-Q405 WeakPolarHBondContact OD1-CB 3.5Å; D403-Q405 WeakPolarHBondContact OD1-CG 3.18Å; D403-Q405 PolarHBondContact OD1-N 2.85Å; D403-Q405 PolarHBondContact OD1-NE2 2.83Å; Q405-F515 HydrophobicContact CG-CD2 4.39Å; Q405-F515 HydrophobicContact CG-CE2 4.19Å
406	S	91.8	Very high	94	Very high	11 Å²	11	21.9 Å²	21.9	8%	0.077	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-98.7	21	175.7	-57.6	0	0	0	0	113.1	D403 P404 D408 R409	D403-S406 WeakPolarHBondContact O-CB 3.19Å; D403-S406 PolarHBondContact O-N 2.85Å; P404-S406 PolarHBondContact O-N 2.75Å; S406-D408 PolarHBondContact O-N 2.81Å; S406-R409 WeakPolarHBondContact O-CB 3.44Å; S406-R409 PolarHBondContact O-N 2.9Å; S406-R409 PolarHBondContact OG-NH2 2.92Å
407	N	91	Very high	93.8	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-59.6	-31.1	-171.3	-168.8	63.8	0	0	0	114.8	P404 R409 L410 E412 W479 K506 C510 A511	P404-N407 VanDerWaalsContact O-CB 3.28Å; P404-N407 WeakPolarHBondContact O-CB 3.28Å; P404-N407 PolarHBondContact O-N 3.36Å; N407-R409 PolarHBondContact O-N 2.95Å; N407-L410 PolarHBondContact O-N 3.46Å; N407-L410 VanDerWaalsContact O-N 3.11Å; N407-E412 PolarHBondContact ND2-OE2 3.22Å; N407-W479 VanDerWaalsContact OD1-CE2 3.3Å; N407-W479 WeakPolarHBondContact OD1-CZ2 3.41Å; N407-W479 PolarHBondContact OD1-NE1 3.49Å; N407-K506 WeakPolarHBondContact ND2-CE 3.23Å; N407-K506 PolarHBondContact ND2-NZ 2.96Å; N407-K506 PolarHBondContact OD1-NZ 3.13Å; N407-C510 PolarHBondContact ND2-O 3.43Å; N407-A511 WeakPolarHBondContact ND2-CA 3.49Å; N407-A511 PolarHBondContact ND2-O 3.39Å
408	D	89.9	Confident	93.7	Very high	93 Å²	93	18.7 Å²	18.7	50%	0.497	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-63.2	-21.8	174.1	66.1	-29.1	0	0	0	113.6	S406 A511	S406-D408 PolarHBondContact O-N 2.81Å; D408-A511 HydrophobicContact CB-CB 4.37Å; D408-A511 PolarHBondContact N-O 3.34Å
409	R	92.4	Very high	93.5	Very high	75 Å²	75	19 Å²	19	28%	0.283	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-92.6	-10.9	175.9	-64.3	-172.7	-72.2	171.2	-0.9	113.6	S406 N407 H411 S455 D458 L459	S406-R409 WeakPolarHBondContact O-CB 3.44Å; S406-R409 PolarHBondContact O-N 2.9Å; S406-R409 PolarHBondContact OG-NH2 2.92Å; N407-R409 PolarHBondContact O-N 2.95Å; R409-H411 PolarHBondContact O-CD2 2.94Å; R409-S455 PolarHBondContact O-OG 2.95Å; R409-D458 PolarHBondContact NH1-O 3.18Å; R409-L459 HydrophobicContact CB-CD1 4.06Å; R409-L459 HydrophobicContact CB-CD2 4Å; R409-L459 HydrophobicContact CB-CG 4.09Å
410	L	93.5	Very high	93.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.6	-174.1	-67.5	166.5	0	0	0	113.7	L381 T402 N407 E412 S441 I443 L459 W479	L381-L410 HydrophobicContact CD2-CD2 4.12Å; T402-L410 HydrophobicContact CG2-CD1 3.83Å; T402-L410 HydrophobicContact CG2-CD2 3.7Å; T402-L410 HydrophobicContact CG2-CG 4.45Å; N407-L410 PolarHBondContact O-N 3.46Å; N407-L410 VanDerWaalsContact O-N 3.11Å; L410-E412 PolarHBondContact O-N 2.93Å; L410-S441 WeakPolarHBondContact O-CB 3.41Å; L410-S441 PolarHBondContact O-OG 3.48Å; L410-I443 HydrophobicContact CD2-CD1 4.33Å; L410-L459 HydrophobicContact CD2-CD1 3.48Å; L410-L459 VanDerWaalsContact CD2-CD1 3.48Å; L410-L459 HydrophobicContact CD2-CD2 4.38Å; L410-L459 HydrophobicContact CG-CD1 4.11Å; L410-W479 HydrophobicContact CB-CZ2 4.5Å; L410-W479 HydrophobicContact CD1-CB 4.11Å; L410-W479 HydrophobicContact CD1-CD2 3.99Å; L410-W479 HydrophobicContact CD1-CG 3.51Å
411	H	92.4	Very high	93.3	Very high	58 Å²	58	20.3 Å²	20.3	27%	0.269	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.2	177.6	-63.2	-87.9	0	0	0	113.2	H302 R409 G413 P442 F453 S455	H302-H411 PolarHBondContact NE2-O 2.99Å; R409-H411 PolarHBondContact O-CD2 2.94Å; H411-G413 PolarHBondContact O-N 3.2Å; H411-P442 HydrophobicContact CB-CG 3.98Å; H411-P442 WeakPolarHBondContact O-CD 3.44Å; H411-F453 HydrophobicContact CB-CE1 4.5Å; H411-F453 AromaticContact CD2-CD1 3.49Å; H411-F453 VanDerWaalsContact CD2-CD1 3.49Å; H411-F453 WeakPolarHBondContact CD2-CD1 3.36Å; H411-F453 AromaticContact CE1-CD1 3.79Å; H411-F453 AromaticContact CG-CD1 3.76Å; H411-F453 AromaticContact ND1-CD1 3.93Å; H411-F453 AromaticContact NE2-CD1 3.51Å; H411-S455 PolarHBondContact NE2-OG 2.92Å
412	E	92.3	Very high	93.1	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.037	11%	0.114	C	C	.	.			trans	-51.3	127.6	174.4	-175.9	-169.3	-132.9	0	0	110.1	F383 N407 L410 T439 W479 K506 F508 P509 C510 A511	F383-E412 WeakPolarHBondContact CE1-OE1 3.39Å; N407-E412 PolarHBondContact ND2-OE2 3.22Å; L410-E412 PolarHBondContact O-N 2.93Å; E412-T439 HydrophobicContact CG-CG2 3.31Å; E412-W479 HydrophobicContact CB-CH2 4.08Å; E412-W479 HydrophobicContact CB-CZ2 3.75Å; E412-W479 HydrophobicContact CG-CH2 4Å; E412-W479 HydrophobicContact CG-CZ2 3.78Å; E412-K506 IonicContact OE1-NZ 2.63Å; E412-F508 WeakPolarHBondContact OE1-CB 3.22Å; E412-P509 HydrophobicContact CG-CB 3.98Å; E412-C510 PolarHBondContact OE2-N 3.36Å; E412-A511 PolarHBondContact OE2-N 3.45Å; E412-A511 VanDerWaalsContact OE2-N 3.14Å
413	G	90.5	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	172.6	173.6	0	0	0	0	0	113.1	H411 M440	H411-G413 PolarHBondContact O-N 3.2Å; G413-M440 PolarHBondContact N-O 3.21Å; G413-M440 PolarHBondContact O-N 3.18Å; G413-M440 VanDerWaalsContact O-N 3.11Å
414	Y	91.7	Very high	92.7	Very high	10 Å²	10	38 Å²	38	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.8	175.2	-78.9	-61.8	0	0	0	112.2	R104 V105 L107 H301 A437 L438 P509	R104-Y414 WeakPolarHBondContact O-CE2 3.48Å; R104-Y414 VanDerWaalsContact O-CZ 3.23Å; R104-Y414 PolarHBondContact O-OH 2.86Å; V105-Y414 WeakPolarHBondContact CA-OH 3.42Å; V105-Y414 PolarHBondContact O-OH 3.49Å; L107-Y414 HydrophobicContact CD1-CD1 4.21Å; L107-Y414 HydrophobicContact CD1-CD2 4.03Å; L107-Y414 HydrophobicContact CD1-CE2 4.39Å; L107-Y414 HydrophobicContact CD1-CG 3.93Å; L107-Y414 HydrophobicContact CD2-CD2 3.45Å; L107-Y414 VanDerWaalsContact CD2-CD2 3.45Å; L107-Y414 HydrophobicContact CD2-CE2 3.32Å; L107-Y414 HydrophobicContact CD2-CG 4.21Å; L107-Y414 HydrophobicContact CG-CD2 4.13Å; L107-Y414 HydrophobicContact CG-CE2 4.03Å; L107-Y414 HydrophobicContact CG-CG 4.44Å; H301-Y414 PolarHBondContact N-O 2.03Å; H301-Y414 VanDerWaalsContact N-O 3.13Å; Y414-A437 HydrophobicContact CD1-CB 3.63Å; Y414-A437 WeakPolarHBondContact CD1-O 3.32Å; Y414-A437 HydrophobicContact CE1-CB 4.48Å; Y414-A437 WeakPolarHBondContact CE1-O 3.27Å; Y414-A437 HydrophobicContact CG-CB 4.14Å; Y414-L438 WeakPolarHBondContact CA-O 3.26Å; Y414-P509 HydrophobicContact CD2-CG 3.47Å; Y414-P509 VanDerWaalsContact CD2-CG 3.47Å; Y414-P509 HydrophobicContact CE2-CG 3.22Å; Y414-P509 HydrophobicContact CG-CG 4.24Å; Y414-P509 VanDerWaalsContact OH-CD 3.25Å; Y414-P509 WeakPolarHBondContact OH-CD 3.45Å
415	I	93	Very high	92.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132	169.2	-48.1	-172.2	0	0	0	107.3	V277 H302 L305 L307 A437 L438 M440 P442	V277-I415 HydrophobicContact CG1-CD1 3.53Å; V277-I415 HydrophobicContact CG1-CG2 4.46Å; H302-I415 HydrophobicContact CB-CD1 4.27Å; H302-I415 HydrophobicContact CB-CG1 4.15Å; L305-I415 HydrophobicContact CB-CG2 4.02Å; L307-I415 HydrophobicContact CB-CB 4.29Å; L307-I415 HydrophobicContact CB-CG2 4.16Å; I415-A437 VanDerWaalsContact O-CA 3.26Å; I415-A437 WeakPolarHBondContact O-CA 3.25Å; I415-A437 WeakPolarHBondContact O-CB 3.18Å; I415-L438 PolarHBondContact N-O 3.23Å; I415-L438 VanDerWaalsContact N-O 3.13Å; I415-L438 PolarHBondContact O-N 3.34Å; I415-M440 HydrophobicContact CD1-CB 4.13Å; I415-M440 HydrophobicContact CG1-CB 4.46Å; I415-P442 HydrophobicContact CD1-CB 4.28Å
416	V	92.6	Very high	92.6	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	138	178.1	68.2	0	0	0	0	109.6	I292 L300 V306 L307 L432	I292-V416 HydrophobicContact CD1-CG2 3.91Å; L300-V416 HydrophobicContact CD1-CB 4.45Å; V306-V416 CarbonylContact C-O 3.04Å; V306-V416 VanDerWaalsContact CA-O 3.3Å; V306-V416 WeakPolarHBondContact CA-O 3.26Å; V306-V416 HydrophobicContact CB-CG1 4.43Å; V306-V416 HydrophobicContact CG1-CG1 3.85Å; L307-V416 PolarHBondContact N-O 2.93Å; V416-L432 HydrophobicContact CG2-CD1 4.31Å
417	E	93.7	Very high	92.8	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.065	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.1	179.1	-69.4	178.8	89.4	0	0	112	L307 R309 L433 T436 L438	L307-E417 HydrophobicContact CB-CG 4.24Å; L307-E417 HydrophobicContact CD2-CG 4.05Å; L307-E417 HydrophobicContact CG-CG 4.38Å; L307-E417 WeakPolarHBondContact O-CA 3.3Å; R309-E417 VanDerWaalsContact CD-OE1 3.31Å; R309-E417 WeakPolarHBondContact CD-OE1 3.44Å; R309-E417 HydrophobicContact CG-CB 4.4Å; R309-E417 HydrophobicContact CG-CG 4.49Å; R309-E417 WeakPolarHBondContact CG-OE1 3.44Å; E417-L433 HydrophobicContact CB-CB 4.01Å; E417-L433 HydrophobicContact CB-CD1 3.95Å; E417-L433 HydrophobicContact CB-CG 4.27Å; E417-L433 PolarHBondContact O-N 3.49Å; E417-T436 PolarHBondContact N-O 3.23Å; E417-T436 VanDerWaalsContact N-O 3.09Å; E417-T436 WeakPolarHBondContact OE2-CB 3.46Å; E417-T436 PolarHBondContact OE2-OG1 2.78Å; E417-L438 HydrophobicContact CG-CD1 4.17Å; E417-L438 HydrophobicContact CG-CG 4.17Å; E417-L438 WeakPolarHBondContact OE1-CD1 2.98Å; E417-L438 WeakPolarHBondContact OE2-CG 3.04Å
418	A	95	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.5	169	0	0	0	0	0	109.3	W283 V306 L307 R309 K431 L432	W283-A418 HydrophobicContact CD2-CB 3.91Å; W283-A418 HydrophobicContact CE3-CB 3.56Å; W283-A418 HydrophobicContact CH2-CB 3.67Å; W283-A418 HydrophobicContact CZ2-CB 4.03Å; W283-A418 HydrophobicContact CZ3-CB 3.43Å; W283-A418 VanDerWaalsContact CZ3-CB 3.43Å; V306-A418 HydrophobicContact CB-CB 3.72Å; V306-A418 HydrophobicContact CG1-CB 4.14Å; V306-A418 HydrophobicContact CG2-CB 3.76Å; L307-A418 PolarHBondContact O-N 2.82Å; R309-A418 WeakPolarHBondContact CB-O 3.33Å; R309-A418 PolarHBondContact N-O 3.41Å; A418-K431 WeakPolarHBondContact CA-O 3.26Å; A418-L432 HydrophobicContact CB-CD2 3.67Å
419	M	94.8	Very high	93.3	Very high	30 Å²	30	43.7 Å²	43.7	15%	0.148	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.1	-178.5	-172.2	179.1	-173.4	0	0	110	R309 P310 S312 K431 L433	R309-M419 HydrophobicContact CB-CB 4.35Å; R309-M419 HydrophobicContact CB-CG 4.31Å; P310-M419 WeakPolarHBondContact O-CE 3.35Å; S312-M419 VanDerWaalsContact OG-CE 3.29Å; S312-M419 WeakPolarHBondContact OG-CE 3.4Å; M419-K431 PolarHBondContact N-O 3Å; M419-L433 HydrophobicContact CB-CD1 4.45Å; M419-L433 HydrophobicContact CB-CD2 3.77Å; M419-L433 HydrophobicContact CB-CG 3.99Å; M419-L433 HydrophobicContact CG-CD2 4.43Å; M419-L433 HydrophobicContact SD-CD2 3.93Å
420	L	96.2	Very high	93.4	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.224	C	C	.	.			trans	-63.2	140	172.3	-69	172	0	0	0	110.2	P270 W283 V308 R309 A311 F427 R429	P270-L420 HydrophobicContact CG-CD1 4.24Å; W283-L420 HydrophobicContact CH2-CD2 3.69Å; W283-L420 HydrophobicContact CH2-CG 4.01Å; W283-L420 HydrophobicContact CZ2-CD2 3.97Å; W283-L420 HydrophobicContact CZ2-CG 4.48Å; V308-L420 HydrophobicContact CG1-CD1 3.98Å; V308-L420 HydrophobicContact CG1-CD2 4.41Å; V308-L420 HydrophobicContact CG1-CG 3.85Å; R309-L420 PolarHBondContact O-N 3.48Å; A311-L420 WeakPolarHBondContact CA-O 3.47Å; A311-L420 HydrophobicContact CB-CB 4.04Å; A311-L420 VanDerWaalsContact CB-O 3.24Å; A311-L420 WeakPolarHBondContact CB-O 3.38Å; L420-F427 HydrophobicContact CB-CD1 4.39Å; L420-F427 HydrophobicContact CD1-CD1 4.34Å; L420-R429 HydrophobicContact CD2-CG 3.7Å
421	T	95.1	Very high	93.4	Very high	23 Å²	23	47.4 Å²	47.4	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	171.2	-61.9	0	0	0	0	108.7	K423 F427 V428 D430	T421-K423 HydrophobicContact CG2-CD 3.63Å; T421-K423 VanDerWaalsContact CG2-CE 3.42Å; T421-K423 HydrophobicContact CG2-CG 3.78Å; T421-F427 CarbonylContact O-C 3.57Å; T421-F427 WeakPolarHBondContact O-CA 3.49Å; T421-V428 PolarHBondContact N-O 3.41Å; T421-V428 PolarHBondContact O-N 3.33Å; T421-D430 WeakPolarHBondContact CB-OD1 3.48Å; T421-D430 PolarHBondContact OG1-OD1 2.89Å
422	Y	94.9	Very high	93.3	Very high	80 Å²	80	45.1 Å²	45.1	31%	0.314	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.4	172.5	-175.7	-109.6	0	0	0	110.4	L268 M333 T426 F427	L268-Y422 HydrophobicContact CD1-CD1 3.64Å; L268-Y422 HydrophobicContact CD1-CE1 4.13Å; L268-Y422 HydrophobicContact CD1-CG 4.03Å; M333-Y422 HydrophobicContact SD-CD2 4.48Å; M333-Y422 HydrophobicContact SD-CE2 3.72Å; Y422-T426 WeakPolarHBondContact CA-O 3.44Å; Y422-T426 WeakPolarHBondContact CD2-O 3.27Å; Y422-F427 HydrophobicContact CD2-CD1 4Å; Y422-F427 AromaticContact CD2-CD2 3.75Å; Y422-F427 HydrophobicContact CD2-CD2 3.75Å; Y422-F427 AromaticContact CD2-CE1 3.79Å; Y422-F427 HydrophobicContact CD2-CE1 3.79Å; Y422-F427 AromaticContact CD2-CE2 3.52Å; Y422-F427 HydrophobicContact CD2-CE2 3.52Å; Y422-F427 AromaticContact CD2-CG 4Å; Y422-F427 HydrophobicContact CD2-CG 4Å; Y422-F427 AromaticContact CD2-CZ 3.54Å; Y422-F427 HydrophobicContact CD2-CZ 3.54Å; Y422-F427 HydrophobicContact CE2-CD2 4.02Å; Y422-F427 AromaticContact CE2-CE2 3.59Å; Y422-F427 HydrophobicContact CE2-CE2 3.59Å; Y422-F427 AromaticContact CE2-CZ 3.91Å; Y422-F427 HydrophobicContact CE2-CZ 3.91Å; Y422-F427 HydrophobicContact CG-CE1 4.28Å; Y422-F427 HydrophobicContact CG-CZ 4.29Å
423	K	91.2	Very high	93.1	Very high	129 Å²	129	46.7 Å²	46.7	56%	0.561	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	139	-178.9	-72.5	175.3	-176.7	168.8	0	110	T421 G425 T426	T421-K423 HydrophobicContact CG2-CD 3.63Å; T421-K423 VanDerWaalsContact CG2-CE 3.42Å; T421-K423 HydrophobicContact CG2-CG 3.78Å; K423-G425 PolarHBondContact O-N 3.43Å; K423-G425 VanDerWaalsContact O-N 3.13Å; K423-T426 PolarHBondContact N-O 3.03Å; K423-T426 PolarHBondContact O-N 2.8Å; K423-T426 PolarHBondContact O-OG1 3.44Å
424	N	89.8	Confident	92.1	Very high	170 Å²	170	54.6 Å²	54.6	91%	0.909	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	38.1	176.8	-59	-16.4	0	0	0	114	T426	N424-T426 VanDerWaalsContact C-N 3.29Å; N424-T426 PolarHBondContact O-N 2.9Å
425	G	89.5	Confident	90.7	Very high	51 Å²	51	59.6 Å²	59.6	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	1.1	179.6	0	0	0	0	0	115.4	K423	K423-G425 PolarHBondContact O-N 3.43Å; K423-G425 VanDerWaalsContact O-N 3.13Å
426	T	93	Very high	89.6	Confident	82 Å²	82	62 Å²	62	50%	0.503	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.6	-176.9	63.3	0	0	0	0	112.3	Y422 K423 N424	Y422-T426 WeakPolarHBondContact CA-O 3.44Å; Y422-T426 WeakPolarHBondContact CD2-O 3.27Å; K423-T426 PolarHBondContact N-O 3.03Å; K423-T426 PolarHBondContact O-N 2.8Å; K423-T426 PolarHBondContact O-OG1 3.44Å; N424-T426 VanDerWaalsContact C-N 3.29Å; N424-T426 PolarHBondContact O-N 2.9Å
427	F	95.7	Very high	88.8	Confident	41 Å²	41	62.4 Å²	62.4	18%	0.18	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133	173.4	-70.1	-93.6	0	0	0	109.7	L268 P270 A311 M333 L420 T421 Y422	L268-F427 HydrophobicContact CB-CE1 3.97Å; L268-F427 HydrophobicContact CB-CZ 4.04Å; P270-F427 HydrophobicContact CB-CB 4.41Å; P270-F427 HydrophobicContact CB-CD1 4.4Å; P270-F427 HydrophobicContact CB-CD2 3.62Å; P270-F427 HydrophobicContact CB-CE2 3.9Å; P270-F427 HydrophobicContact CB-CG 3.89Å; P270-F427 HydrophobicContact CB-CZ 4.4Å; P270-F427 HydrophobicContact CG-CD1 4.37Å; P270-F427 HydrophobicContact CG-CD2 4.4Å; P270-F427 HydrophobicContact CG-CG 4.19Å; A311-F427 HydrophobicContact CB-CD1 4.22Å; A311-F427 HydrophobicContact CB-CE1 3.99Å; M333-F427 HydrophobicContact CB-CE2 4.37Å; M333-F427 HydrophobicContact CG-CE2 3.89Å; M333-F427 HydrophobicContact CG-CZ 3.74Å; M333-F427 HydrophobicContact SD-CE2 3.71Å; M333-F427 HydrophobicContact SD-CZ 3.67Å; L420-F427 HydrophobicContact CB-CD1 4.39Å; L420-F427 HydrophobicContact CD1-CD1 4.34Å; T421-F427 CarbonylContact O-C 3.57Å; T421-F427 WeakPolarHBondContact O-CA 3.49Å; Y422-F427 HydrophobicContact CD2-CD1 4Å; Y422-F427 AromaticContact CD2-CD2 3.75Å; Y422-F427 HydrophobicContact CD2-CD2 3.75Å; Y422-F427 AromaticContact CD2-CE1 3.79Å; Y422-F427 HydrophobicContact CD2-CE1 3.79Å; Y422-F427 AromaticContact CD2-CE2 3.52Å; Y422-F427 HydrophobicContact CD2-CE2 3.52Å; Y422-F427 AromaticContact CD2-CG 4Å; Y422-F427 HydrophobicContact CD2-CG 4Å; Y422-F427 AromaticContact CD2-CZ 3.54Å; Y422-F427 HydrophobicContact CD2-CZ 3.54Å; Y422-F427 HydrophobicContact CE2-CD2 4.02Å; Y422-F427 AromaticContact CE2-CE2 3.59Å; Y422-F427 HydrophobicContact CE2-CE2 3.59Å; Y422-F427 AromaticContact CE2-CZ 3.91Å; Y422-F427 HydrophobicContact CE2-CZ 3.91Å; Y422-F427 HydrophobicContact CG-CE1 4.28Å; Y422-F427 HydrophobicContact CG-CZ 4.29Å
428	V	96	Very high	88.4	Confident	53 Å²	53	65.2 Å²	65.2	32%	0.321	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.4	-177.7	-167.9	0	0	0	0	109.8	T421 D430	T421-V428 PolarHBondContact N-O 3.41Å; T421-V428 PolarHBondContact O-N 3.33Å; V428-D430 HydrophobicContact CG1-CB 3.76Å
429	R	96.3	Very high	88	Confident	76 Å²	76	66.2 Å²	66.2	29%	0.287	36%	0.356	S	S	.	.			trans	-106.6	73.5	178.9	-70.9	177.6	174.9	75.5	1.5	110	E278 D282 W283 N284 L420	E278-R429 IonicContact OE1-CZ 3.47Å; E278-R429 IonicContact OE1-NE 3.89Å; E278-R429 PolarHBondContact OE1-NE 3.35Å; E278-R429 IonicContact OE1-NH2 3.53Å; E278-R429 PolarHBondContact OE1-NH2 3.5Å; E278-R429 IonicContact OE2-CZ 2.62Å; E278-R429 IonicContact OE2-NE 3.61Å; E278-R429 PolarHBondContact OE2-NE 3.21Å; E278-R429 IonicContact OE2-NH2 2.61Å; D282-R429 WeakPolarHBondContact O-CD 3.4Å; W283-R429 HydrophobicContact CB-CB 4.43Å; W283-R429 HydrophobicContact CD2-CB 3.56Å; W283-R429 HydrophobicContact CD2-CG 3.93Å; W283-R429 VanDerWaalsContact CE3-C 3.49Å; W283-R429 HydrophobicContact CE3-CB 3.62Å; W283-R429 HydrophobicContact CE3-CG 4.19Å; W283-R429 HydrophobicContact CG-CB 3.95Å; W283-R429 HydrophobicContact CG-CG 4.48Å; W283-R429 HydrophobicContact CH2-CB 4.36Å; W283-R429 HydrophobicContact CH2-CG 4.09Å; W283-R429 HydrophobicContact CZ2-CB 4.28Å; W283-R429 HydrophobicContact CZ2-CG 3.77Å; W283-R429 HydrophobicContact CZ3-CB 4.03Å; W283-R429 HydrophobicContact CZ3-CG 4.27Å; N284-R429 PolarHBondContact N-O 3.14Å; L420-R429 HydrophobicContact CD2-CG 3.7Å
430	D	93.7	Very high	87.9	Confident	58 Å²	58	65 Å²	65	31%	0.31	35%	0.35	S	S	.	.			trans	-131.6	6.7	-165.8	62.4	-10.1	0	0	0	115	T421 V428	T421-D430 WeakPolarHBondContact CB-OD1 3.48Å; T421-D430 PolarHBondContact OG1-OD1 2.89Å; V428-D430 HydrophobicContact CG1-CB 3.76Å
431	K	92.9	Very high	87.8	Confident	96 Å²	96	64.8 Å²	64.8	42%	0.417	35%	0.349	S	S	.	.			trans	-144.3	130.3	-170.6	-178.2	180	175.7	-168.8	0	113.1	A418 M419	A418-K431 WeakPolarHBondContact CA-O 3.26Å; M419-K431 PolarHBondContact N-O 3Å
432	L	91.7	Very high	87.8	Confident	9 Å²	9	64.1 Å²	64.1	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.8	160.5	-60.3	-175.5	0	0	0	111.6	V285 D288 L289 I292 V306 V416 A418	V285-L432 HydrophobicContact CB-CD1 4.25Å; V285-L432 HydrophobicContact CB-CD2 4.04Å; V285-L432 HydrophobicContact CB-CG 3.81Å; V285-L432 HydrophobicContact CG1-CD2 3.89Å; V285-L432 HydrophobicContact CG1-CG 3.85Å; V285-L432 HydrophobicContact CG2-CD2 4.07Å; V285-L432 HydrophobicContact CG2-CG 4.29Å; D288-L432 HydrophobicContact CB-CB 3.98Å; D288-L432 HydrophobicContact CB-CD1 3.76Å; D288-L432 HydrophobicContact CB-CG 3.83Å; D288-L432 PolarHBondContact OD2-N 3.1Å; D288-L432 VanDerWaalsContact OD2-N 3.12Å; L289-L432 HydrophobicContact CD2-CD1 3.62Å; L289-L432 HydrophobicContact CG-CD1 3.92Å; I292-L432 HydrophobicContact CD1-CD1 4.12Å; V306-L432 HydrophobicContact CG1-CD2 4.04Å; V416-L432 HydrophobicContact CG2-CD1 4.31Å; A418-L432 HydrophobicContact CB-CD2 3.67Å
433	L	87	Confident	87.7	Confident	41 Å²	41	60.4 Å²	60.4	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130	165.8	-67.1	-177.5	0	0	0	108.9	R309 E417 M419 S435 T436	R309-L433 HydrophobicContact CB-CD1 4.35Å; R309-L433 HydrophobicContact CG-CD1 3.81Å; E417-L433 HydrophobicContact CB-CB 4.01Å; E417-L433 HydrophobicContact CB-CD1 3.95Å; E417-L433 HydrophobicContact CB-CG 4.27Å; E417-L433 PolarHBondContact O-N 3.49Å; M419-L433 HydrophobicContact CB-CD1 4.45Å; M419-L433 HydrophobicContact CB-CD2 3.77Å; M419-L433 HydrophobicContact CB-CG 3.99Å; M419-L433 HydrophobicContact CG-CD2 4.43Å; M419-L433 HydrophobicContact SD-CD2 3.93Å; L433-S435 PolarHBondContact O-N 2.86Å; L433-T436 VanDerWaalsContact CB-OG1 3.23Å; L433-T436 WeakPolarHBondContact CB-OG1 3.13Å
434	Q	70.4	Confident	87.9	Confident	166 Å²	166	56 Å²	56	78%	0.776	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.8	-175.5	-70.4	-176.2	-12.6	0	0	110	T436	Q434-T436 WeakPolarHBondContact O-CG2 3.31Å; Q434-T436 PolarHBondContact O-N 3.41Å
435	S	62.8	Low	88.1	Confident	115 Å²	115	47.9 Å²	47.9	80%	0.804	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.4	22.4	172.5	-52.8	0	0	0	0	115.6	L433	L433-S435 PolarHBondContact O-N 2.86Å
436	T	70.2	Confident	88.3	Confident	52 Å²	52	46.2 Å²	46.2	32%	0.319	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.6	178.5	72.6	0	0	0	0	111.1	E417 L433 Q434	E417-T436 PolarHBondContact N-O 3.23Å; E417-T436 VanDerWaalsContact N-O 3.09Å; E417-T436 WeakPolarHBondContact OE2-CB 3.46Å; E417-T436 PolarHBondContact OE2-OG1 2.78Å; L433-T436 VanDerWaalsContact CB-OG1 3.23Å; L433-T436 WeakPolarHBondContact CB-OG1 3.13Å; Q434-T436 WeakPolarHBondContact O-CG2 3.31Å; Q434-T436 PolarHBondContact O-N 3.41Å
437	A	75.7	Confident	88.4	Confident	19 Å²	19	48.6 Å²	48.6	16%	0.157	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.3	163.6	0	0	0	0	0	105.7	L107 L300 Y414 I415	L107-A437 HydrophobicContact CD1-CB 3.78Å; L300-A437 HydrophobicContact CD2-CB 4.02Å; Y414-A437 HydrophobicContact CD1-CB 3.63Å; Y414-A437 WeakPolarHBondContact CD1-O 3.32Å; Y414-A437 HydrophobicContact CE1-CB 4.48Å; Y414-A437 WeakPolarHBondContact CE1-O 3.27Å; Y414-A437 HydrophobicContact CG-CB 4.14Å; I415-A437 VanDerWaalsContact O-CA 3.26Å; I415-A437 WeakPolarHBondContact O-CA 3.25Å; I415-A437 WeakPolarHBondContact O-CB 3.18Å
438	L	84.6	Confident	88.3	Confident	73 Å²	73	46.6 Å²	46.6	38%	0.382	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.2	176.3	-70.4	173	0	0	0	109.7	L307 Y414 I415 E417 M440	L307-L438 HydrophobicContact CD2-CB 3.75Å; L307-L438 HydrophobicContact CD2-CD1 3.91Å; L307-L438 HydrophobicContact CD2-CG 4.37Å; Y414-L438 WeakPolarHBondContact CA-O 3.26Å; I415-L438 PolarHBondContact N-O 3.23Å; I415-L438 VanDerWaalsContact N-O 3.13Å; I415-L438 PolarHBondContact O-N 3.34Å; E417-L438 HydrophobicContact CG-CD1 4.17Å; E417-L438 HydrophobicContact CG-CG 4.17Å; E417-L438 WeakPolarHBondContact OE1-CD1 2.98Å; E417-L438 WeakPolarHBondContact OE2-CG 3.04Å; L438-M440 PolarHBondContact O-N 2.56Å
439	T	87.3	Confident	88.2	Confident	21 Å²	21	47 Å²	47	13%	0.129	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	120.7	170.9	-63.5	0	0	0	0	108.2	F383 E412 P509	F383-T439 HydrophobicContact CE1-CG2 3.79Å; F383-T439 HydrophobicContact CZ-CG2 3.92Å; E412-T439 HydrophobicContact CG-CG2 3.31Å; T439-P509 HydrophobicContact CG2-CB 3.93Å; T439-P509 WeakPolarHBondContact OG1-CD 3.31Å
440	M	91.7	Very high	88.1	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	165.1	-177.6	-159.8	77	-178.8	0	0	109.8	E275 L307 L381 H382 G413 I415 L438	E275-M440 HydrophobicContact CG-CE 3.6Å; E275-M440 HydrophobicContact CG-SD 4.37Å; L307-M440 HydrophobicContact CD1-CE 4.1Å; L307-M440 HydrophobicContact CD1-CG 3.99Å; L307-M440 HydrophobicContact CD1-SD 3.97Å; L307-M440 HydrophobicContact CD2-SD 4.3Å; L381-M440 WeakPolarHBondContact O-CE 3.33Å; H382-M440 HydrophobicContact CB-CE 3.74Å; H382-M440 HydrophobicContact CB-SD 3.61Å; G413-M440 PolarHBondContact N-O 3.21Å; G413-M440 PolarHBondContact O-N 3.18Å; G413-M440 VanDerWaalsContact O-N 3.11Å; I415-M440 HydrophobicContact CD1-CB 4.13Å; I415-M440 HydrophobicContact CG1-CB 4.46Å; L438-M440 PolarHBondContact O-N 2.56Å
441	S	94.6	Very high	88.1	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.021	24%	0.244	C	C	.	.			trans	-97.8	132.9	161.9	-176	0	0	0	0	109.6	L410 I443	L410-S441 WeakPolarHBondContact O-CB 3.41Å; L410-S441 PolarHBondContact O-OG 3.48Å; S441-I443 PolarHBondContact O-N 2.99Å; S441-I443 WeakPolarHBondContact OG-CB 3.46Å; S441-I443 WeakPolarHBondContact OG-CD1 3.49Å; S441-I443 PolarHBondContact OG-N 2.92Å
442	P	94.7	Very high	88.1	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.052	24%	0.243	C	C	.	.			trans	-78	-0.9	174.2	37.5	-42.2	0	0	0	113	V277 L305 H411 I415 F453	V277-P442 HydrophobicContact CG2-CB 4.44Å; L305-P442 HydrophobicContact CD1-CB 3.55Å; H411-P442 HydrophobicContact CB-CG 3.98Å; H411-P442 WeakPolarHBondContact O-CD 3.44Å; I415-P442 HydrophobicContact CD1-CB 4.28Å; P442-F453 HydrophobicContact CB-CZ 3.88Å; P442-F453 HydrophobicContact CG-CE1 3.69Å; P442-F453 HydrophobicContact CG-CE2 4.41Å; P442-F453 HydrophobicContact CG-CZ 3.51Å
443	I	93.8	Very high	88.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.244	C	C	.	.			trans	-70.5	133.7	-175.2	-71.6	160.4	0	0	0	110	L381 L410 S441 I445 F453 L456	L381-I443 HydrophobicContact CD2-CB 4.09Å; L381-I443 HydrophobicContact CD2-CG2 4.1Å; L410-I443 HydrophobicContact CD2-CD1 4.33Å; S441-I443 PolarHBondContact O-N 2.99Å; S441-I443 WeakPolarHBondContact OG-CB 3.46Å; S441-I443 WeakPolarHBondContact OG-CD1 3.49Å; S441-I443 PolarHBondContact OG-N 2.92Å; I443-I445 HydrophobicContact CG2-CG2 3.95Å; I443-F453 HydrophobicContact CG1-CD2 4.05Å; I443-F453 HydrophobicContact CG1-CE2 4.39Å; I443-F453 HydrophobicContact CG1-CG 4.19Å; I443-L456 HydrophobicContact CB-CD2 4.33Å; I443-L456 HydrophobicContact CD1-CD2 3.34Å; I443-L456 HydrophobicContact CD1-CG 4.15Å; I443-L456 HydrophobicContact CG1-CD1 4.2Å; I443-L456 HydrophobicContact CG1-CD2 3.78Å; I443-L456 HydrophobicContact CG1-CG 4.27Å; I443-L456 HydrophobicContact CG2-CD1 3.98Å; I443-L456 HydrophobicContact CG2-CD2 3.64Å; I443-L456 HydrophobicContact CG2-CG 4.43Å
444	D	94.3	Very high	88.5	Confident	37 Å²	37	48.6 Å²	48.6	20%	0.198	26%	0.255	C	S	.	.			trans	-103	108.5	165.5	-168.8	-33.5	0	0	0	109.1	K380 T446 Y447 P448	K380-D444 IonicContact NZ-OD2 3.4Å; K380-D444 PolarHBondContact NZ-OD2 2.69Å; D444-T446 PolarHBondContact O-N 3.46Å; D444-T446 WeakPolarHBondContact OD1-CA 3.29Å; D444-T446 WeakPolarHBondContact OD1-CB 3.4Å; D444-T446 PolarHBondContact OD1-N 2.95Å; D444-T446 PolarHBondContact OD1-OG1 3.24Å; D444-Y447 CarbonylContact O-C 3.48Å; D444-Y447 PolarHBondContact O-N 2.04Å; D444-Y447 PolarHBondContact OD1-N 3.31Å; D444-P448 VanDerWaalsContact O-CA 3.3Å; D444-P448 WeakPolarHBondContact O-CA 3.45Å; D444-P448 VanDerWaalsContact O-N 3.16Å
445	I	94.9	Very high	89.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-72.7	-22.7	-177.9	71.8	176.8	0	0	0	112.1	L171 F187 L381 I400 I443 W461 E481	L171-I445 HydrophobicContact CD1-CB 4.03Å; L171-I445 HydrophobicContact CD1-CG2 4.29Å; F187-I445 HydrophobicContact CE1-CD1 4.22Å; F187-I445 HydrophobicContact CE2-CG1 4.41Å; F187-I445 WeakPolarHBondContact CE2-O 3.18Å; F187-I445 HydrophobicContact CZ-CD1 4.33Å; F187-I445 HydrophobicContact CZ-CG1 4.37Å; L381-I445 HydrophobicContact CD2-CG2 4.21Å; I400-I445 HydrophobicContact CB-CD1 4.06Å; I400-I445 HydrophobicContact CG1-CD1 4.48Å; I400-I445 HydrophobicContact CG2-CD1 3.93Å; I443-I445 HydrophobicContact CG2-CG2 3.95Å; I445-W461 HydrophobicContact CB-CH2 4.34Å; I445-W461 HydrophobicContact CG2-CH2 3.29Å; I445-W461 HydrophobicContact CG2-CZ2 4.02Å; I445-W461 HydrophobicContact CG2-CZ3 3.62Å; I445-E481 HydrophobicContact CD1-CB 3.76Å; I445-E481 HydrophobicContact CD1-CG 4.08Å; I445-E481 WeakPolarHBondContact CG1-OE1 3.4Å
446	T	93.5	Very high	90.6	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.098	19%	0.189	C	C	.	.	S	Bend	trans	-84.1	-17.3	178.4	71.7	0	0	0	0	112.4	N182 L183 T184 F187 D444 E481	N182-T446 CarbonylContact C-O 3.33Å; L183-T446 WeakPolarHBondContact CA-O 3.42Å; L183-T446 PolarHBondContact N-O 3.42Å; T184-T446 PolarHBondContact N-O 2.93Å; F187-T446 HydrophobicContact CB-CG2 4.37Å; F187-T446 HydrophobicContact CD2-CG2 4.06Å; F187-T446 HydrophobicContact CG-CG2 4.4Å; D444-T446 PolarHBondContact O-N 3.46Å; D444-T446 WeakPolarHBondContact OD1-CA 3.29Å; D444-T446 WeakPolarHBondContact OD1-CB 3.4Å; D444-T446 PolarHBondContact OD1-N 2.95Å; D444-T446 PolarHBondContact OD1-OG1 3.24Å; T446-E481 WeakPolarHBondContact CG2-OE1 3.47Å
447	Y	93.8	Very high	91.6	Very high	131 Å²	131	39.1 Å²	39.1	51%	0.514	19%	0.193	S	C	.	.	S	Bend	trans	-141.8	69.5	173.8	-162.3	-89.5	0	0	0	110.4	N182 D444 D449	N182-Y447 HydrophobicContact CB-CD2 3.88Å; N182-Y447 HydrophobicContact CB-CE2 4.02Å; D444-Y447 CarbonylContact O-C 3.48Å; D444-Y447 PolarHBondContact O-N 2.04Å; D444-Y447 PolarHBondContact OD1-N 3.31Å; Y447-D449 PolarHBondContact O-N 3.22Å
448	P	93.5	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.			trans	-66.8	131.1	-173.3	25.7	-36.1	0	0	0	112.7	L171 R181 L183 D444 F450 L456	L171-P448 HydrophobicContact CB-CB 4.34Å; L171-P448 HydrophobicContact CB-CG 4.25Å; L171-P448 HydrophobicContact CD1-CB 3.97Å; L171-P448 HydrophobicContact CD1-CG 4.4Å; R181-P448 WeakPolarHBondContact O-CD 3.5Å; L183-P448 HydrophobicContact CD1-CG 4.31Å; D444-P448 VanDerWaalsContact O-CA 3.3Å; D444-P448 WeakPolarHBondContact O-CA 3.45Å; D444-P448 VanDerWaalsContact O-N 3.16Å; P448-F450 HydrophobicContact CB-CD1 4.45Å; P448-F450 HydrophobicContact CB-CE1 3.8Å; P448-F450 HydrophobicContact CB-CE2 4.09Å; P448-F450 HydrophobicContact CB-CZ 3.58Å; P448-F450 HydrophobicContact CG-CE1 4.18Å; P448-F450 HydrophobicContact CG-CE2 3.83Å; P448-F450 HydrophobicContact CG-CZ 3.45Å; P448-F450 VanDerWaalsContact CG-CZ 3.45Å; P448-L456 HydrophobicContact CB-CD1 4.18Å
449	D	94.2	Very high	92.8	Very high	60 Å²	60	39.9 Å²	39.9	32%	0.321	20%	0.195	S	C	.	.			trans	-100.3	92.9	172	-171.3	-19.6	0	0	0	110.4	Y447 E451 K452 F453	Y447-D449 PolarHBondContact O-N 3.22Å; D449-E451 PolarHBondContact O-N 2.79Å; D449-E451 WeakPolarHBondContact OD1-CB 3.05Å; D449-E451 PolarHBondContact OD1-N 2.85Å; D449-K452 HydrophobicContact CB-CB 4.09Å; D449-K452 PolarHBondContact OD1-N 2.92Å; D449-K452 WeakPolarHBondContact OD2-CB 3.43Å; D449-F453 HydrophobicContact CB-CD2 4.4Å; D449-F453 WeakPolarHBondContact O-CB 3.08Å; D449-F453 PolarHBondContact O-N 3.13Å
450	F	94.2	Very high	93.2	Very high	10 Å²	10	41.4 Å²	41.4	4%	0.044	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.1	-179.5	-53.8	-67.8	0	0	0	114.5	L171 L172 P448 L456 R457	L171-F450 HydrophobicContact CB-CE1 3.99Å; L171-F450 HydrophobicContact CB-CZ 4.03Å; L172-F450 VanDerWaalsContact CA-CZ 3.49Å; L172-F450 HydrophobicContact CB-CD1 4.43Å; L172-F450 HydrophobicContact CB-CE1 3.93Å; L172-F450 HydrophobicContact CB-CZ 4.07Å; L172-F450 HydrophobicContact CD1-CD2 4.18Å; L172-F450 HydrophobicContact CD1-CE2 4.11Å; L172-F450 HydrophobicContact CD1-CG 4.46Å; L172-F450 HydrophobicContact CD1-CZ 4.34Å; P448-F450 HydrophobicContact CB-CD1 4.45Å; P448-F450 HydrophobicContact CB-CE1 3.8Å; P448-F450 HydrophobicContact CB-CE2 4.09Å; P448-F450 HydrophobicContact CB-CZ 3.58Å; P448-F450 HydrophobicContact CG-CE1 4.18Å; P448-F450 HydrophobicContact CG-CE2 3.83Å; P448-F450 HydrophobicContact CG-CZ 3.45Å; P448-F450 VanDerWaalsContact CG-CZ 3.45Å; F450-L456 HydrophobicContact CD1-CB 4.03Å; F450-L456 HydrophobicContact CE1-CB 4.2Å; F450-R457 HydrophobicContact CB-CG 4.36Å; F450-R457 HydrophobicContact CD1-CG 3.91Å; F450-R457 HydrophobicContact CG-CG 4.45Å; F450-R457 PolarHBondContact O-NE 2.74Å; F450-R457 PolarHBondContact O-NH2 2.92Å
451	E	94.4	Very high	93.5	Very high	131 Å²	131	41.3 Å²	41.3	61%	0.612	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-46.5	175	-69	166.6	-141	0	0	109.1	R181 D449	R181-E451 IonicContact CZ-OE1 2.68Å; R181-E451 IonicContact NH1-OE1 2.79Å; R181-E451 PolarHBondContact NH1-OE1 2.81Å; R181-E451 IonicContact NH2-OE1 3.41Å; R181-E451 PolarHBondContact NH2-OE1 3.01Å; D449-E451 PolarHBondContact O-N 2.79Å; D449-E451 WeakPolarHBondContact OD1-CB 3.05Å; D449-E451 PolarHBondContact OD1-N 2.85Å
452	K	92.6	Very high	93.6	Very high	92 Å²	92	41.4 Å²	41.4	40%	0.4	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-38	174.4	-170	176.1	179.9	179.7	0	112.6	E304 D449 P454	E304-K452 IonicContact OE1-NZ 3.2Å; E304-K452 PolarHBondContact OE1-NZ 2.89Å; D449-K452 HydrophobicContact CB-CB 4.09Å; D449-K452 PolarHBondContact OD1-N 2.92Å; D449-K452 WeakPolarHBondContact OD2-CB 3.43Å; K452-P454 WeakPolarHBondContact O-CD 3.41Å
453	F	93.3	Very high	93.8	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.057	21%	0.205	C	C	.	.			trans	-125.6	74.9	-178.2	-50.3	-60.4	0	0	0	111.7	H411 P442 I443 D449 S455 L456	H411-F453 HydrophobicContact CB-CE1 4.5Å; H411-F453 AromaticContact CD2-CD1 3.49Å; H411-F453 VanDerWaalsContact CD2-CD1 3.49Å; H411-F453 WeakPolarHBondContact CD2-CD1 3.36Å; H411-F453 AromaticContact CE1-CD1 3.79Å; H411-F453 AromaticContact CG-CD1 3.76Å; H411-F453 AromaticContact ND1-CD1 3.93Å; H411-F453 AromaticContact NE2-CD1 3.51Å; P442-F453 HydrophobicContact CB-CZ 3.88Å; P442-F453 HydrophobicContact CG-CE1 3.69Å; P442-F453 HydrophobicContact CG-CE2 4.41Å; P442-F453 HydrophobicContact CG-CZ 3.51Å; I443-F453 HydrophobicContact CG1-CD2 4.05Å; I443-F453 HydrophobicContact CG1-CE2 4.39Å; I443-F453 HydrophobicContact CG1-CG 4.19Å; D449-F453 HydrophobicContact CB-CD2 4.4Å; D449-F453 WeakPolarHBondContact O-CB 3.08Å; D449-F453 PolarHBondContact O-N 3.13Å; F453-S455 PolarHBondContact O-N 3.11Å; F453-S455 VanDerWaalsContact O-N 3.16Å; F453-L456 HydrophobicContact CB-CD1 3.69Å; F453-L456 HydrophobicContact CB-CG 3.73Å; F453-L456 HydrophobicContact CD2-CD1 4.22Å; F453-L456 HydrophobicContact CG-CD1 4.41Å; F453-L456 VanDerWaalsContact O-CB 3.31Å; F453-L456 WeakPolarHBondContact O-CB 3.27Å; F453-L456 WeakPolarHBondContact O-CG 3.37Å; F453-L456 PolarHBondContact O-N 2.87Å; F453-L456 VanDerWaalsContact O-N 3.12Å
454	P	93.8	Very high	94	Very high	69 Å²	69	42.5 Å²	42.5	45%	0.448	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-59.9	-27.4	-177.6	-24.9	34.7	0	0	0	114.4	K452 L456 R457	K452-P454 WeakPolarHBondContact O-CD 3.41Å; P454-L456 PolarHBondContact O-N 3.27Å; P454-R457 WeakPolarHBondContact O-CB 3.42Å; P454-R457 WeakPolarHBondContact O-CD 3.37Å; P454-R457 WeakPolarHBondContact O-CG 3.3Å; P454-R457 PolarHBondContact O-N 2.98Å
455	S	89	Confident	94.1	Very high	28 Å²	28	42.2 Å²	42.2	20%	0.196	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.3	-20.4	177.7	55.5	0	0	0	0	113.9	R409 H411 F453 R457 D458	R409-S455 PolarHBondContact O-OG 2.95Å; H411-S455 PolarHBondContact NE2-OG 2.92Å; F453-S455 PolarHBondContact O-N 3.11Å; F453-S455 VanDerWaalsContact O-N 3.16Å; S455-R457 PolarHBondContact O-N 2.89Å; S455-D458 PolarHBondContact O-N 3.2Å
456	L	88.6	Confident	94.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.2	-22.8	176	-72.2	-176.9	0	0	0	113.8	I443 P448 F450 F453 P454 D458 L459	I443-L456 HydrophobicContact CB-CD2 4.33Å; I443-L456 HydrophobicContact CD1-CD2 3.34Å; I443-L456 HydrophobicContact CD1-CG 4.15Å; I443-L456 HydrophobicContact CG1-CD1 4.2Å; I443-L456 HydrophobicContact CG1-CD2 3.78Å; I443-L456 HydrophobicContact CG1-CG 4.27Å; I443-L456 HydrophobicContact CG2-CD1 3.98Å; I443-L456 HydrophobicContact CG2-CD2 3.64Å; I443-L456 HydrophobicContact CG2-CG 4.43Å; P448-L456 HydrophobicContact CB-CD1 4.18Å; F450-L456 HydrophobicContact CD1-CB 4.03Å; F450-L456 HydrophobicContact CE1-CB 4.2Å; F453-L456 HydrophobicContact CB-CD1 3.69Å; F453-L456 HydrophobicContact CB-CG 3.73Å; F453-L456 HydrophobicContact CD2-CD1 4.22Å; F453-L456 HydrophobicContact CG-CD1 4.41Å; F453-L456 VanDerWaalsContact O-CB 3.31Å; F453-L456 WeakPolarHBondContact O-CB 3.27Å; F453-L456 WeakPolarHBondContact O-CG 3.37Å; F453-L456 PolarHBondContact O-N 2.87Å; F453-L456 VanDerWaalsContact O-N 3.12Å; P454-L456 PolarHBondContact O-N 3.27Å; L456-D458 PolarHBondContact O-N 2.88Å; L456-L459 HydrophobicContact CD2-CD1 3.88Å; L456-L459 PolarHBondContact O-N 3.11Å
457	R	91.7	Very high	94.5	Very high	105 Å²	105	45.7 Å²	45.7	40%	0.396	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-64	-24.3	-174.3	-63.6	175.3	-173.2	-149.5	1.1	112.9	S170 L172 F450 P454 S455	S170-R457 WeakPolarHBondContact CB-O 3.38Å; S170-R457 PolarHBondContact OG-O 3.21Å; L172-R457 HydrophobicContact CB-CB 4.43Å; L172-R457 HydrophobicContact CB-CG 4.48Å; L172-R457 HydrophobicContact CD2-CB 4.07Å; L172-R457 HydrophobicContact CD2-CG 4Å; F450-R457 HydrophobicContact CB-CG 4.36Å; F450-R457 HydrophobicContact CD1-CG 3.91Å; F450-R457 HydrophobicContact CG-CG 4.45Å; F450-R457 PolarHBondContact O-NE 2.74Å; F450-R457 PolarHBondContact O-NH2 2.92Å; P454-R457 WeakPolarHBondContact O-CB 3.42Å; P454-R457 WeakPolarHBondContact O-CD 3.37Å; P454-R457 WeakPolarHBondContact O-CG 3.3Å; P454-R457 PolarHBondContact O-N 2.98Å; S455-R457 PolarHBondContact O-N 2.89Å
458	D	90.9	Very high	94.7	Very high	108 Å²	108	41.2 Å²	41.2	58%	0.578	21%	0.207	S	C	*	.	S	Bend	trans	-117.5	-3.2	-174.1	-55.9	-45.4	0	0	0	113.5	R409 S455 L456	R409-D458 PolarHBondContact NH1-O 3.18Å; S455-D458 PolarHBondContact O-N 3.2Å; L456-D458 PolarHBondContact O-N 2.88Å
459	L	94.4	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.			trans	-70.5	139.9	177.6	-81.6	170.6	0	0	0	111.1	S170 R409 L410 L456 W461	S170-L459 WeakPolarHBondContact CA-O 3.34Å; S170-L459 WeakPolarHBondContact CB-O 3.3Å; R409-L459 HydrophobicContact CB-CD1 4.06Å; R409-L459 HydrophobicContact CB-CD2 4Å; R409-L459 HydrophobicContact CB-CG 4.09Å; L410-L459 HydrophobicContact CD2-CD1 3.48Å; L410-L459 VanDerWaalsContact CD2-CD1 3.48Å; L410-L459 HydrophobicContact CD2-CD2 4.38Å; L410-L459 HydrophobicContact CG-CD1 4.11Å; L456-L459 HydrophobicContact CD2-CD1 3.88Å; L456-L459 PolarHBondContact O-N 3.11Å; L459-W461 HydrophobicContact CB-CZ2 4.29Å; L459-W461 PolarHBondContact O-NE1 2.85Å
460	K	96	Very high	95.2	Very high	54 Å²	54	38.4 Å²	38.4	24%	0.235	19%	0.191	C	C	.	.			trans	-105.9	156.3	-179.9	-57.3	-56.8	-175.4	179.4	0	110.4	L165 S166 G168 T402	L165-K460 HydrophobicContact CD2-CB 4.08Å; L165-K460 WeakPolarHBondContact CD2-O 3.38Å; L165-K460 HydrophobicContact CG-CB 3.82Å; S166-K460 WeakPolarHBondContact O-CE 3.45Å; G168-K460 WeakPolarHBondContact O-CD 3.48Å; G168-K460 WeakPolarHBondContact O-CE 3.29Å; G168-K460 PolarHBondContact O-NZ 2.77Å; T402-K460 WeakPolarHBondContact CB-O 3.06Å; T402-K460 PolarHBondContact OG1-O 2.88Å
461	W	96.8	Very high	95.4	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.189	C	C	.	.			trans	-135.1	148.7	-170.7	-54.5	87.4	0	0	0	110.3	L171 I209 L381 I400 L401 T402 I445 L459	L171-W461 HydrophobicContact CD1-CH2 4.43Å; L171-W461 HydrophobicContact CD1-CZ2 3.6Å; L171-W461 HydrophobicContact CD2-CD2 4.45Å; L171-W461 HydrophobicContact CD2-CZ2 4.35Å; L171-W461 HydrophobicContact CG-CZ2 3.86Å; I209-W461 HydrophobicContact CD1-CB 4.3Å; I209-W461 HydrophobicContact CG2-CB 3.86Å; I209-W461 VanDerWaalsContact CG2-O 3.23Å; I209-W461 WeakPolarHBondContact CG2-O 3.21Å; L381-W461 HydrophobicContact CD1-CZ3 4.09Å; L381-W461 HydrophobicContact CD2-CH2 4.12Å; L381-W461 HydrophobicContact CD2-CZ3 4.41Å; I400-W461 HydrophobicContact CG2-CB 4.23Å; I400-W461 HydrophobicContact CG2-CD2 4.41Å; I400-W461 HydrophobicContact CG2-CE3 3.75Å; L401-W461 CarbonylContact O-C 3.54Å; L401-W461 WeakPolarHBondContact O-CA 3.39Å; T402-W461 HydrophobicContact CG2-CE3 4.21Å; T402-W461 HydrophobicContact CG2-CH2 4.18Å; T402-W461 HydrophobicContact CG2-CZ3 3.74Å; I445-W461 HydrophobicContact CB-CH2 4.34Å; I445-W461 HydrophobicContact CG2-CH2 3.29Å; I445-W461 HydrophobicContact CG2-CZ2 4.02Å; I445-W461 HydrophobicContact CG2-CZ3 3.62Å; L459-W461 HydrophobicContact CB-CZ2 4.29Å; L459-W461 PolarHBondContact O-NE1 2.85Å
462	L	97.6	Very high	95.6	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.6	177.9	-167.1	69.9	0	0	0	108.4	L165 P210 K211 C212 P234 I400 L401 C464	L165-L462 HydrophobicContact CD1-CB 4.19Å; L165-L462 HydrophobicContact CD1-CD1 4.09Å; L165-L462 HydrophobicContact CD2-CB 4.08Å; P210-L462 HydrophobicContact CB-CD1 4.28Å; K211-L462 WeakPolarHBondContact O-CD1 3.31Å; C212-L462 HydrophobicContact CB-CD2 4.49Å; C212-L462 VanDerWaalsContact SG-CD2 3.56Å; P234-L462 HydrophobicContact CB-CD2 4.31Å; P234-L462 HydrophobicContact CG-CD2 4.3Å; I400-L462 CarbonylContact C-O 3.59Å; I400-L462 WeakPolarHBondContact CA-O 3.43Å; L401-L462 PolarHBondContact N-O 3.14Å; L401-L462 PolarHBondContact O-N 3.42Å; L462-C464 VanDerWaalsContact CG-SG 3.6Å
463	N	97.6	Very high	95.9	Very high	33 Å²	33	27.3 Å²	27.3	18%	0.176	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.3	178.4	-179	-5.8	0	0	0	110.2	I209 P210 K211 C212 I400 T465	I209-N463 HydrophobicContact CB-CB 4.3Å; I209-N463 HydrophobicContact CG2-CB 3.94Å; P210-N463 PolarHBondContact O-N 2.72Å; K211-N463 CarbonylContact C-O 3.54Å; K211-N463 VanDerWaalsContact CA-O 3.25Å; K211-N463 WeakPolarHBondContact CA-O 3.11Å; C212-N463 PolarHBondContact N-O 3.27Å; I400-N463 HydrophobicContact CD1-CB 3.89Å; N463-T465 PolarHBondContact OD1-N 2.83Å; N463-T465 PolarHBondContact OD1-OG1 2.85Å
464	C	98.3	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.			trans	-115.8	51.6	-176.7	-53.2	0	0	0	0	110.6	C212 I236 V399 L401 L462 I466 L472	C212-C464 HydrophobicContact CB-CB 3.67Å; C212-C464 WeakPolarHBondContact CB-SG 3.3Å; C212-C464 WeakPolarHBondContact SG-CB 3.22Å; C212-C464 CovalentContact SG-SG 2Å; C212-C464 PolarHBondContact SG-SG 3.34Å; I236-C464 HydrophobicContact CD1-CB 4.21Å; V399-C464 PolarHBondContact O-N 2.9Å; L401-C464 HydrophobicContact CD1-CB 3.44Å; L401-C464 VanDerWaalsContact CD1-CB 3.44Å; L401-C464 WeakPolarHBondContact CD1-SG 3.27Å; L462-C464 VanDerWaalsContact CG-SG 3.6Å; C464-I466 PolarHBondContact O-N 2.8Å; C464-L472 HydrophobicContact CB-CD1 3.74Å; C464-L472 HydrophobicContact CB-CD2 3.94Å
465	T	98.1	Very high	96.3	Very high	31 Å²	31	23.6 Å²	23.6	19%	0.19	12%	0.118	C	C	.	.			trans	-62.8	125.5	177.7	-64.9	0	0	0	0	110.9	K396 K397 Q398 N463	K396-T465 HydrophobicContact CD-CG2 3.6Å; K396-T465 HydrophobicContact CG-CG2 3.68Å; K397-T465 CarbonylContact O-C 3.59Å; K397-T465 VanDerWaalsContact O-CA 3.32Å; K397-T465 WeakPolarHBondContact O-CA 3.32Å; Q398-T465 WeakPolarHBondContact CG-OG1 3.27Å; N463-T465 PolarHBondContact OD1-N 2.83Å; N463-T465 PolarHBondContact OD1-OG1 2.85Å
466	I	98.6	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-112.8	139.3	178.2	55	179.3	0	0	0	112.1	I236 L390 Q392 K396 K397 C464 D470 L472	I236-I466 HydrophobicContact CD1-CG2 4.09Å; I236-I466 HydrophobicContact CG1-CG2 4.05Å; I236-I466 HydrophobicContact CG2-CG2 4.01Å; L390-I466 HydrophobicContact CB-CD1 4.39Å; L390-I466 HydrophobicContact CD2-CD1 3.74Å; L390-I466 HydrophobicContact CG-CD1 3.71Å; Q392-I466 HydrophobicContact CB-CB 4.31Å; Q392-I466 HydrophobicContact CB-CD1 3.89Å; Q392-I466 HydrophobicContact CB-CG1 3.99Å; Q392-I466 HydrophobicContact CG-CG1 4.44Å; K396-I466 WeakPolarHBondContact CA-O 3.38Å; K396-I466 VanDerWaalsContact CG-O 3.32Å; K396-I466 WeakPolarHBondContact CG-O 3.38Å; K397-I466 HydrophobicContact CB-CD1 4.33Å; K397-I466 HydrophobicContact CB-CG1 3.9Å; K397-I466 PolarHBondContact N-O 2.81Å; K397-I466 PolarHBondContact O-N 2.8Å; C464-I466 PolarHBondContact O-N 2.8Å; I466-D470 HydrophobicContact CB-CB 4Å; I466-D470 HydrophobicContact CG2-CB 4.09Å; I466-L472 HydrophobicContact CD1-CB 4.18Å; I466-L472 HydrophobicContact CG2-CB 3.63Å
467	E	98.1	Very high	97	Very high	89 Å²	89	22.3 Å²	22.3	42%	0.416	11%	0.109	S	C	.	.			trans	-110.4	170.8	179.4	-63	-173.9	151.3	0	0	111	K239 Q392 K396 G469 D470	K239-E467 IonicContact NZ-OE2 3.63Å; Q392-E467 WeakPolarHBondContact CB-O 3.37Å; K396-E467 HydrophobicContact CD-CG 4.42Å; K396-E467 HydrophobicContact CG-CG 4.38Å; E467-G469 PolarHBondContact O-N 3.41Å; E467-G469 VanDerWaalsContact O-N 3.16Å; E467-D470 PolarHBondContact N-OD2 3.34Å; E467-D470 VanDerWaalsContact N-OD2 3.07Å; E467-D470 WeakPolarHBondContact O-CB 3.48Å; E467-D470 PolarHBondContact O-N 2.81Å
468	P	98.1	Very high	97.2	Very high	37 Å²	37	17.4 Å²	17.4	24%	0.24	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	126.1	178.1	-28.4	37.5	0	0	0	112.5	K239 F247 G395	K239-P468 PolarHBondContact NZ-O 3.07Å; F247-P468 HydrophobicContact CE2-CB 4.01Å; F247-P468 HydrophobicContact CZ-CB 4.19Å; G395-P468 WeakPolarHBondContact O-CD 3.47Å; G395-P468 VanDerWaalsContact O-CG 3.3Å; G395-P468 WeakPolarHBondContact O-CG 2.95Å
469	G	98	Very high	97.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-15	-179.4	0	0	0	0	0	114.1	K239 A240 A241 F247 Q392 E467	K239-G469 CarbonylContact C-O 3.1Å; K239-G469 WeakPolarHBondContact CA-O 3.44Å; K239-G469 PolarHBondContact N-O 3.03Å; A240-G469 PolarHBondContact N-O 3.45Å; A241-G469 PolarHBondContact N-O 2.81Å; F247-G469 VanDerWaalsContact CE2-N 3.34Å; Q392-G469 PolarHBondContact O-N 3.37Å; E467-G469 PolarHBondContact O-N 3.41Å; E467-G469 VanDerWaalsContact O-N 3.16Å
470	D	98.7	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.			trans	-81.5	151.4	-179.3	-59.3	-18.1	0	0	0	111.5	I236 F237 K238 K239 Q392 I466 E467	I236-D470 HydrophobicContact CG2-CB 4.02Å; F237-D470 WeakPolarHBondContact O-CA 3.33Å; K238-D470 WeakPolarHBondContact CA-OD1 3.18Å; K238-D470 WeakPolarHBondContact CE-OD2 3.28Å; K238-D470 IonicContact NZ-OD1 3.3Å; K238-D470 IonicContact NZ-OD2 3.24Å; K238-D470 PolarHBondContact NZ-OD2 3.4Å; K239-D470 PolarHBondContact N-OD1 3.03Å; K239-D470 IonicContact NZ-OD1 3.4Å; Q392-D470 PolarHBondContact N-O 3.15Å; I466-D470 HydrophobicContact CB-CB 4Å; I466-D470 HydrophobicContact CG2-CB 4.09Å; E467-D470 PolarHBondContact N-OD2 3.34Å; E467-D470 VanDerWaalsContact N-OD2 3.07Å; E467-D470 WeakPolarHBondContact O-CB 3.48Å; E467-D470 PolarHBondContact O-N 2.81Å
471	I	98.6	Very high	97.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.6	173.8	-57.1	175.7	0	0	0	108.3	I236 F237 A240 A241 W244 L356 F389 L390 C391	I236-I471 CarbonylContact C-O 3.57Å; I236-I471 WeakPolarHBondContact CA-O 3.38Å; F237-I471 HydrophobicContact CB-CB 4.36Å; F237-I471 HydrophobicContact CD2-CB 4.28Å; F237-I471 HydrophobicContact CD2-CG2 4.24Å; F237-I471 PolarHBondContact N-O 2.92Å; F237-I471 PolarHBondContact O-N 2.78Å; A240-I471 HydrophobicContact CB-CD1 3.76Å; A240-I471 HydrophobicContact CB-CG1 4.14Å; A241-I471 HydrophobicContact CB-CD1 4.04Å; A241-I471 HydrophobicContact CB-CG1 4.02Å; W244-I471 HydrophobicContact CH2-CD1 3.94Å; W244-I471 HydrophobicContact CZ2-CD1 3.7Å; L356-I471 HydrophobicContact CD1-CG2 4.35Å; L356-I471 HydrophobicContact CD2-CD1 3.72Å; F389-I471 HydrophobicContact CB-CG2 4.2Å; F389-I471 HydrophobicContact CD1-CG2 4.19Å; L390-I471 CarbonylContact O-C 3.6Å; L390-I471 WeakPolarHBondContact O-CA 3.5Å; C391-I471 HydrophobicContact CB-CG1 4.12Å
472	L	98.8	Very high	97.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.8	172.6	172.2	62.1	0	0	0	109.7	I236 F389 L390 V399 C464 I466 I474	I236-L472 HydrophobicContact CG1-CD1 3.79Å; F389-L472 CarbonylContact C-O 3.52Å; F389-L472 WeakPolarHBondContact CA-O 3.4Å; L390-L472 HydrophobicContact CB-CB 4.45Å; L390-L472 PolarHBondContact N-O 3.43Å; L390-L472 PolarHBondContact O-N 2.94Å; V399-L472 HydrophobicContact CB-CD2 3.83Å; V399-L472 HydrophobicContact CG1-CD2 3.96Å; V399-L472 HydrophobicContact CG2-CD2 3.84Å; C464-L472 HydrophobicContact CB-CD1 3.74Å; C464-L472 HydrophobicContact CB-CD2 3.94Å; I466-L472 HydrophobicContact CD1-CB 4.18Å; I466-L472 HydrophobicContact CG2-CB 3.63Å; L472-I474 HydrophobicContact CD1-CG1 4.43Å; L472-I474 HydrophobicContact CD2-CD1 3.82Å; L472-I474 HydrophobicContact CD2-CG1 3.65Å; L472-I474 HydrophobicContact CG-CD1 4.28Å; L472-I474 HydrophobicContact CG-CG1 3.62Å
473	Y	98.5	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.2	163.2	172.1	-121.3	0	0	0	109.4	F224 L229 K233 P234 V235 E387 F389 P475	F224-Y473 HydrophobicContact CE2-CD1 4.09Å; F224-Y473 HydrophobicContact CE2-CE1 4.27Å; F224-Y473 HydrophobicContact CE2-CG 4.25Å; F224-Y473 HydrophobicContact CZ-CD1 4.29Å; F224-Y473 HydrophobicContact CZ-CD2 4.28Å; F224-Y473 HydrophobicContact CZ-CE1 4.12Å; F224-Y473 HydrophobicContact CZ-CE2 4.12Å; F224-Y473 HydrophobicContact CZ-CG 4.35Å; L229-Y473 WeakPolarHBondContact CD1-OH 3.38Å; K233-Y473 WeakPolarHBondContact O-CD1 3.45Å; P234-Y473 WeakPolarHBondContact CA-O 3.39Å; V235-Y473 HydrophobicContact CG1-CD1 4.13Å; V235-Y473 PolarHBondContact N-O 3.29Å; V235-Y473 PolarHBondContact O-N 3.26Å; E387-Y473 HydrophobicContact CB-CE2 4.1Å; E387-Y473 PolarHBondContact OE2-OH 3.05Å; F389-Y473 HydrophobicContact CD1-CD2 4.18Å; F389-Y473 HydrophobicContact CD2-CD2 4.21Å; F389-Y473 AromaticContact CE1-CD2 3.73Å; F389-Y473 HydrophobicContact CE1-CD2 3.73Å; F389-Y473 HydrophobicContact CE1-CG 4.06Å; F389-Y473 AromaticContact CE2-CD2 3.73Å; F389-Y473 HydrophobicContact CE2-CD2 3.73Å; F389-Y473 HydrophobicContact CE2-CE2 4.03Å; F389-Y473 HydrophobicContact CG-CD2 4.43Å; F389-Y473 AromaticContact CZ-CD2 3.5Å; F389-Y473 HydrophobicContact CZ-CD2 3.5Å; F389-Y473 AromaticContact CZ-CE2 3.97Å; F389-Y473 HydrophobicContact CZ-CE2 3.97Å; F389-Y473 HydrophobicContact CZ-CG 4.21Å; Y473-P475 HydrophobicContact CD1-CG 4.27Å; Y473-P475 HydrophobicContact CE1-CB 4.27Å; Y473-P475 HydrophobicContact CE1-CG 3.72Å
474	I	98.6	Very high	97.7	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.021	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.5	172.4	-49.8	177.3	0	0	0	106.3	N388 V399 L401 L472 W478	N388-I474 HydrophobicContact CB-CB 4.23Å; N388-I474 PolarHBondContact N-O 3.44Å; N388-I474 PolarHBondContact O-N 2.95Å; V399-I474 HydrophobicContact CG1-CD1 4.18Å; L401-I474 HydrophobicContact CD2-CB 4.49Å; L401-I474 HydrophobicContact CD2-CG1 4.33Å; L401-I474 HydrophobicContact CD2-CG2 3.65Å; L472-I474 HydrophobicContact CD1-CG1 4.43Å; L472-I474 HydrophobicContact CD2-CD1 3.82Å; L472-I474 HydrophobicContact CD2-CG1 3.65Å; L472-I474 HydrophobicContact CG-CD1 4.28Å; L472-I474 HydrophobicContact CG-CG1 3.62Å; I474-W478 HydrophobicContact CG2-CB 3.88Å
475	P	97.5	Very high	97.5	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	6%	0.064	C	C	.	.			trans	-63.2	154	176	-13.5	25.3	0	0	0	110.8	S232 P234 E387 Y473 W478	S232-P475 WeakPolarHBondContact OG-CB 3.47Å; P234-P475 HydrophobicContact CG-CG 4.25Å; E387-P475 WeakPolarHBondContact OE2-CA 3.19Å; Y473-P475 HydrophobicContact CD1-CG 4.27Å; Y473-P475 HydrophobicContact CE1-CB 4.27Å; Y473-P475 HydrophobicContact CE1-CG 3.72Å; P475-W478 VanDerWaalsContact O-CD1 3.32Å; P475-W478 PolarHBondContact O-N 2.93Å
476	S	95.7	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	143.7	177.6	53.9	0	0	0	0	112.3	Y386 E387 W478 W504	Y386-S476 WeakPolarHBondContact O-CA 3.32Å; E387-S476 WeakPolarHBondContact OE1-CB 2.84Å; E387-S476 PolarHBondContact OE1-OG 3.28Å; E387-S476 PolarHBondContact OE2-N 3.39Å; S476-W478 PolarHBondContact O-N 3.3Å; S476-W478 VanDerWaalsContact O-N 3.15Å; S476-W504 PolarHBondContact OG-O 3.01Å
477	F	95.9	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-3.6	179	-52.9	-78.9	0	0	0	117.2	F383 D384 E385 P404 W479 W504 K506 F508 F515	F383-F477 WeakPolarHBondContact CB-O 3.5Å; F383-F477 AromaticContact CD2-CD1 3.71Å; F383-F477 HydrophobicContact CD2-CD1 3.71Å; F383-F477 HydrophobicContact CD2-CE1 4.44Å; F383-F477 AromaticContact CE2-CD1 3.6Å; F383-F477 HydrophobicContact CE2-CD1 3.6Å; F383-F477 HydrophobicContact CE2-CE1 4.01Å; F383-F477 HydrophobicContact CZ-CD1 4.35Å; D384-F477 PolarHBondContact O-N 3.41Å; E385-F477 HydrophobicContact CB-CE1 4.1Å; E385-F477 HydrophobicContact CB-CZ 4.19Å; P404-F477 HydrophobicContact CB-CB 4.17Å; P404-F477 WeakPolarHBondContact CB-O 3.32Å; F477-W479 PolarHBondContact O-N 3.27Å; F477-W504 WeakPolarHBondContact CE2-O 3.28Å; F477-K506 HydrophobicContact CD1-CB 4.49Å; F477-K506 HydrophobicContact CE1-CB 4.38Å; F477-K506 HydrophobicContact CE2-CB 4.35Å; F477-K506 HydrophobicContact CZ-CB 4.29Å; F477-F508 HydrophobicContact CD1-CD1 4.45Å; F477-F508 AromaticContact CE1-CD1 3.63Å; F477-F508 HydrophobicContact CE1-CD1 3.63Å; F477-F508 AromaticContact CE1-CE1 3.63Å; F477-F508 HydrophobicContact CE1-CE1 3.63Å; F477-F508 HydrophobicContact CZ-CD1 4.46Å; F477-F508 HydrophobicContact CZ-CE1 4.25Å; F477-F515 HydrophobicContact CB-CE1 4.02Å; F477-F515 HydrophobicContact CB-CZ 4.04Å; F477-F515 AromaticContact CD2-CE1 3.66Å; F477-F515 HydrophobicContact CD2-CE1 3.66Å; F477-F515 HydrophobicContact CD2-CZ 4.5Å; F477-F515 HydrophobicContact CE2-CE1 4.49Å; F477-F515 HydrophobicContact CG-CE1 4.11Å
478	W	97.4	Very high	96.5	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.008	10%	0.095	C	C	.	.			trans	-59.6	125.8	174.2	-84.3	71.9	0	0	0	111.1	Y163 S232 P234 F383 L401 P404 I474 P475 S476 H480	Y163-W478 AromaticContact CD1-CH2 3.6Å; Y163-W478 HydrophobicContact CD1-CH2 3.6Å; Y163-W478 AromaticContact CD1-CZ2 3.74Å; Y163-W478 HydrophobicContact CD1-CZ2 3.74Å; Y163-W478 AromaticContact CE1-CH2 3.78Å; Y163-W478 HydrophobicContact CE1-CH2 3.78Å; Y163-W478 HydrophobicContact CE1-CZ2 4.38Å; S232-W478 WeakPolarHBondContact O-CZ2 3.34Å; S232-W478 PolarHBondContact O-NE1 2.83Å; S232-W478 VanDerWaalsContact O-NE1 3.08Å; S232-W478 PolarHBondContact OG-NE1 2.8Å; P234-W478 HydrophobicContact CG-CD2 3.65Å; P234-W478 HydrophobicContact CG-CE3 3.73Å; P234-W478 HydrophobicContact CG-CG 4.39Å; P234-W478 HydrophobicContact CG-CH2 3.78Å; P234-W478 HydrophobicContact CG-CZ2 3.72Å; P234-W478 HydrophobicContact CG-CZ3 3.78Å; F383-W478 WeakPolarHBondContact CB-O 3.44Å; L401-W478 HydrophobicContact CB-CE3 3.89Å; L401-W478 HydrophobicContact CB-CZ3 4.35Å; L401-W478 HydrophobicContact CD2-CB 4.07Å; L401-W478 HydrophobicContact CD2-CE3 4.23Å; P404-W478 HydrophobicContact CG-CD2 4.41Å; P404-W478 HydrophobicContact CG-CG 4.2Å; I474-W478 HydrophobicContact CG2-CB 3.88Å; P475-W478 VanDerWaalsContact O-CD1 3.32Å; P475-W478 PolarHBondContact O-N 2.93Å; S476-W478 PolarHBondContact O-N 3.3Å; S476-W478 VanDerWaalsContact O-N 3.15Å; W478-H480 PolarHBondContact O-ND1 3.07Å
479	W	97.2	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.9	176.7	-72.6	90.1	0	0	0	109.2	L381 H382 F383 L401 T402 N407 L410 E412 F477	L381-W479 HydrophobicContact CD1-CB 4Å; L381-W479 HydrophobicContact CG-CE3 4.07Å; H382-W479 CarbonylContact O-C 3.56Å; H382-W479 VanDerWaalsContact O-CA 3.25Å; H382-W479 WeakPolarHBondContact O-CA 3.16Å; F383-W479 AromaticContact CD1-CD2 3.94Å; F383-W479 HydrophobicContact CD1-CD2 3.94Å; F383-W479 AromaticContact CD1-CE2 3.61Å; F383-W479 HydrophobicContact CD1-CE3 4.1Å; F383-W479 AromaticContact CD1-CH2 3.69Å; F383-W479 HydrophobicContact CD1-CH2 3.69Å; F383-W479 AromaticContact CD1-CZ2 3.49Å; F383-W479 HydrophobicContact CD1-CZ2 3.49Å; F383-W479 VanDerWaalsContact CD1-CZ2 3.49Å; F383-W479 AromaticContact CD1-CZ3 3.97Å; F383-W479 HydrophobicContact CD1-CZ3 3.97Å; F383-W479 AromaticContact CE1-CH2 3.82Å; F383-W479 HydrophobicContact CE1-CH2 3.82Å; F383-W479 AromaticContact CE1-CZ2 3.62Å; F383-W479 HydrophobicContact CE1-CZ2 3.62Å; F383-W479 HydrophobicContact CE1-CZ3 4.5Å; L401-W479 CarbonylContact C-O 3.55Å; L401-W479 WeakPolarHBondContact CA-O 3.35Å; T402-W479 HydrophobicContact CG2-CB 3.6Å; T402-W479 HydrophobicContact CG2-CG 4.45Å; T402-W479 PolarHBondContact N-O 2.78Å; T402-W479 PolarHBondContact O-N 2.98Å; N407-W479 VanDerWaalsContact OD1-CE2 3.3Å; N407-W479 WeakPolarHBondContact OD1-CZ2 3.41Å; N407-W479 PolarHBondContact OD1-NE1 3.49Å; L410-W479 HydrophobicContact CB-CZ2 4.5Å; L410-W479 HydrophobicContact CD1-CB 4.11Å; L410-W479 HydrophobicContact CD1-CD2 3.99Å; L410-W479 HydrophobicContact CD1-CG 3.51Å; E412-W479 HydrophobicContact CB-CH2 4.08Å; E412-W479 HydrophobicContact CB-CZ2 3.75Å; E412-W479 HydrophobicContact CG-CH2 4Å; E412-W479 HydrophobicContact CG-CZ2 3.78Å; F477-W479 PolarHBondContact O-N 3.27Å
480	H	97.9	Very high	95.3	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.8	-175.4	58.7	-84.4	0	0	0	113.6	L381 H382 D384 V399 I400 L401 W478	L381-H480 WeakPolarHBondContact CA-O 3.45Å; H382-H480 AromaticContact CD2-NE2 3.88Å; H382-H480 AromaticContact CE1-CD2 3.93Å; H382-H480 AromaticContact CE1-NE2 3.73Å; H382-H480 PolarHBondContact N-O 3.14Å; H382-H480 VanDerWaalsContact N-O 3.07Å; H382-H480 AromaticContact NE2-CD2 3.97Å; H382-H480 AromaticContact NE2-CE1 3.91Å; H382-H480 AromaticContact NE2-NE2 3.29Å; H382-H480 PolarHBondContact NE2-NE2 3.28Å; H382-H480 PolarHBondContact O-N 3.46Å; H382-H480 PolarHBondContact O-ND1 3.1Å; D384-H480 IonicContact OD2-CE1 2.79Å; D384-H480 IonicContact OD2-NE2 3.88Å; V399-H480 HydrophobicContact CG1-CB 4.06Å; I400-H480 CarbonylContact O-C 3.57Å; I400-H480 WeakPolarHBondContact O-CA 3.35Å; L401-H480 HydrophobicContact CD2-CB 4.04Å; L401-H480 HydrophobicContact CG-CB 3.88Å; W478-H480 PolarHBondContact O-ND1 3.07Å
481	E	97.7	Very high	94.9	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.2	167.8	175.3	162.8	127.2	0	0	108.9	L378 G379 V399 I400 I445 T446	L378-E481 HydrophobicContact CD1-CG 3.69Å; G379-E481 WeakPolarHBondContact O-CA 3.08Å; G379-E481 WeakPolarHBondContact O-CG 3.4Å; V399-E481 WeakPolarHBondContact CA-O 2.93Å; I400-E481 PolarHBondContact N-O 3Å; I400-E481 PolarHBondContact O-N 2.81Å; I445-E481 HydrophobicContact CD1-CB 3.76Å; I445-E481 HydrophobicContact CD1-CG 4.08Å; I445-E481 WeakPolarHBondContact CG1-OE1 3.4Å; T446-E481 WeakPolarHBondContact CG2-OE1 3.47Å
482	V	97.5	Very high	94.7	Very high	22 Å²	22	24.6 Å²	24.6	13%	0.133	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110	-173.4	-169.2	0	0	0	0	110.7	L378 G379 K397 Q398 V399	L378-V482 WeakPolarHBondContact CA-O 3.46Å; G379-V482 PolarHBondContact N-O 3.24Å; G379-V482 PolarHBondContact O-N 2.65Å; K397-V482 HydrophobicContact CB-CG1 4.36Å; K397-V482 HydrophobicContact CD-CG1 4.06Å; K397-V482 HydrophobicContact CG-CG1 4.29Å; Q398-V482 WeakPolarHBondContact O-CA 3.47Å; V399-V482 HydrophobicContact CG1-CG2 4.28Å; V399-V482 HydrophobicContact CG2-CG1 4.12Å; V399-V482 HydrophobicContact CG2-CG2 4.45Å
483	Q	96.3	Very high	94.7	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.084	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.7	170	180	64.5	72.4	0	0	109.5	T377 L378 K397 Q398 F485	T377-Q483 PolarHBondContact O-NE2 3.5Å; L378-Q483 HydrophobicContact CD1-CB 4.02Å; K397-Q483 CarbonylContact C-O 3.06Å; K397-Q483 WeakPolarHBondContact CA-O 3.45Å; Q398-Q483 HydrophobicContact CB-CB 4.47Å; Q398-Q483 PolarHBondContact N-O 3.03Å; Q398-Q483 PolarHBondContact O-N 3.38Å; Q483-F485 HydrophobicContact CB-CE2 4.23Å; Q483-F485 HydrophobicContact CB-CZ 4.3Å; Q483-F485 HydrophobicContact CG-CD2 4.5Å; Q483-F485 HydrophobicContact CG-CE1 4Å; Q483-F485 HydrophobicContact CG-CE2 3.71Å; Q483-F485 HydrophobicContact CG-CZ 3.42Å; Q483-F485 VanDerWaalsContact CG-CZ 3.42Å
484	S	96.2	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	155.7	172.7	-53.8	0	0	0	0	111.2	G375 T377 K396 K397	G375-S484 CarbonylContact O-C 3.56Å; T377-S484 PolarHBondContact O-N 3.32Å; T377-S484 WeakPolarHBondContact OG1-CB 3.23Å; T377-S484 PolarHBondContact OG1-OG 3.43Å; K396-S484 CarbonylContact O-C 3.58Å; K397-S484 PolarHBondContact NZ-OG 2.98Å
485	F	94.8	Very high	94.6	Very high	40 Å²	40	24.5 Å²	24.5	18%	0.175	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.2	175	-56.2	-87.3	0	0	0	109.3	G375 G395 K396 Q398 Q483 N493	G375-F485 VanDerWaalsContact O-CA 3.24Å; G375-F485 WeakPolarHBondContact O-CA 3.38Å; G375-F485 PolarHBondContact O-N 2.04Å; G395-F485 WeakPolarHBondContact CA-O 3.45Å; K396-F485 HydrophobicContact CB-CB 4.26Å; K396-F485 HydrophobicContact CB-CD2 4.35Å; K396-F485 HydrophobicContact CG-CD2 4.48Å; K396-F485 PolarHBondContact N-O 3.43Å; K396-F485 PolarHBondContact O-N 3.22Å; Q398-F485 HydrophobicContact CB-CE2 3.81Å; Q483-F485 HydrophobicContact CB-CE2 4.23Å; Q483-F485 HydrophobicContact CB-CZ 4.3Å; Q483-F485 HydrophobicContact CG-CD2 4.5Å; Q483-F485 HydrophobicContact CG-CE1 4Å; Q483-F485 HydrophobicContact CG-CE2 3.71Å; Q483-F485 HydrophobicContact CG-CZ 3.42Å; Q483-F485 VanDerWaalsContact CG-CZ 3.42Å; F485-N493 PolarHBondContact O-ND2 3.45Å
486	P	94.7	Very high	94.7	Very high	53 Å²	53	24.4 Å²	24.4	34%	0.344	13%	0.134	S	C	.	.			trans	-70.8	154.2	-177.9	28.5	-33.4	0	0	0	111.9	G375	G375-P486 WeakPolarHBondContact O-CD 3.26Å
487	D	93.3	Very high	94.8	Very high	27 Å²	27	24.5 Å²	24.5	14%	0.144	14%	0.135	C	C	.	.			trans	-62.5	146.1	161.2	-168.5	-100.6	0	0	0	111	R394 G395 D489 E490 N491 R492	R394-D487 HydrophobicContact CB-CB 4.15Å; G395-D487 VanDerWaalsContact CA-N 3.33Å; G395-D487 PolarHBondContact N-OD2 2.88Å; D487-D489 VanDerWaalsContact C-N 3.34Å; D487-D489 WeakPolarHBondContact OD1-CB 3.48Å; D487-D489 PolarHBondContact OD1-N 3.34Å; D487-E490 PolarHBondContact OD1-N 2.67Å; D487-E490 VanDerWaalsContact OD1-N 3.07Å; D487-N491 WeakPolarHBondContact O-CA 3.38Å; D487-N491 PolarHBondContact O-N 2.93Å; D487-N491 VanDerWaalsContact O-N 3.08Å; D487-R492 VanDerWaalsContact CB-O 3.27Å; D487-R492 WeakPolarHBondContact CB-O 3.34Å; D487-R492 PolarHBondContact N-O 2.91Å
488	V	86.1	Confident	94.8	Very high	128 Å²	128	25.1 Å²	25.1	78%	0.776	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-36.7	-178.1	179.1	0	0	0	0	111.3
489	D	85.7	Confident	94.8	Very high	149 Å²	149	26.2 Å²	26.2	80%	0.797	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-47.8	-171	-60.7	-34.6	0	0	0	111.3	D487	D487-D489 VanDerWaalsContact C-N 3.34Å; D487-D489 WeakPolarHBondContact OD1-CB 3.48Å; D487-D489 PolarHBondContact OD1-N 3.34Å
490	E	84.6	Confident	94.7	Very high	34 Å²	34	26.3 Å²	26.3	16%	0.159	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-6.4	-177.2	-65	-173.3	137.4	0	0	113.6	T251 N252 R394 D487 R492	T251-E490 WeakPolarHBondContact CA-OE1 3.39Å; N252-E490 PolarHBondContact N-OE1 3.21Å; R394-E490 WeakPolarHBondContact CD-OE2 3.29Å; R394-E490 WeakPolarHBondContact CG-OE2 3.4Å; R394-E490 IonicContact NE-OE2 2.74Å; R394-E490 PolarHBondContact NE-OE2 2.95Å; D487-E490 PolarHBondContact OD1-N 2.67Å; D487-E490 VanDerWaalsContact OD1-N 3.07Å; E490-R492 HydrophobicContact CB-CG 3.95Å; E490-R492 PolarHBondContact O-N 3.02Å; E490-R492 VanDerWaalsContact O-N 3.17Å; E490-R492 IonicContact OE1-NH2 3.59Å; E490-R492 IonicContact OE2-CZ 3.15Å; E490-R492 IonicContact OE2-NE 2.85Å; E490-R492 PolarHBondContact OE2-NE 2.82Å; E490-R492 IonicContact OE2-NH2 2.68Å; E490-R492 PolarHBondContact OE2-NH2 3.06Å
491	N	90.6	Very high	94.4	Very high	24 Å²	24	28.4 Å²	28.4	13%	0.128	16%	0.156	C	C	.	.			trans	50.8	38.3	179.6	-174	68.7	0	0	0	113.4	S325 K326 K327 D487	S325-N491 PolarHBondContact O-ND2 3Å; S325-N491 VanDerWaalsContact O-ND2 3.16Å; K326-N491 PolarHBondContact O-ND2 3.3Å; K327-N491 VanDerWaalsContact CA-ND2 3.34Å; K327-N491 WeakPolarHBondContact CA-ND2 3.24Å; K327-N491 WeakPolarHBondContact CG-OD1 3.46Å; K327-N491 PolarHBondContact N-ND2 3.42Å; K327-N491 VanDerWaalsContact N-ND2 3.1Å; D487-N491 WeakPolarHBondContact O-CA 3.38Å; D487-N491 PolarHBondContact O-N 2.93Å; D487-N491 VanDerWaalsContact O-N 3.08Å
492	R	94.7	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-144.2	160.5	179.5	72.3	-174.5	-178.9	108	-5.4	110.6	W250 N252 L372 S373 D487 E490	W250-R492 PolarHBondContact O-NH2 2.85Å; N252-R492 WeakPolarHBondContact OD1-CD 3.4Å; N252-R492 PolarHBondContact OD1-NE 3.48Å; N252-R492 VanDerWaalsContact OD1-NE 3.09Å; L372-R492 HydrophobicContact CD1-CG 4.42Å; L372-R492 VanDerWaalsContact CD1-NH1 3.32Å; S373-R492 CarbonylContact O-C 3.53Å; S373-R492 VanDerWaalsContact O-CA 3.31Å; S373-R492 WeakPolarHBondContact O-CA 3.41Å; S373-R492 VanDerWaalsContact O-CB 3.31Å; S373-R492 WeakPolarHBondContact O-CB 3.32Å; D487-R492 VanDerWaalsContact CB-O 3.27Å; D487-R492 WeakPolarHBondContact CB-O 3.34Å; D487-R492 PolarHBondContact N-O 2.91Å; E490-R492 HydrophobicContact CB-CG 3.95Å; E490-R492 PolarHBondContact O-N 3.02Å; E490-R492 VanDerWaalsContact O-N 3.17Å; E490-R492 IonicContact OE1-NH2 3.59Å; E490-R492 IonicContact OE2-CZ 3.15Å; E490-R492 IonicContact OE2-NE 2.85Å; E490-R492 PolarHBondContact OE2-NE 2.82Å; E490-R492 IonicContact OE2-NH2 2.68Å; E490-R492 PolarHBondContact OE2-NH2 3.06Å
493	N	97.3	Very high	93.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.5	168.5	-171.8	-82.8	0	0	0	109.4	L372 S373 Q392 R394 K396 K397 F485	L372-N493 WeakPolarHBondContact CA-O 3.49Å; L372-N493 WeakPolarHBondContact CD1-O 3.41Å; S373-N493 PolarHBondContact N-O 3.3Å; S373-N493 PolarHBondContact O-N 3.2Å; Q392-N493 PolarHBondContact NE2-ND2 2.97Å; Q392-N493 VanDerWaalsContact NE2-ND2 3.13Å; Q392-N493 PolarHBondContact NE2-OD1 2.91Å; R394-N493 WeakPolarHBondContact O-CA 3.31Å; K396-N493 PolarHBondContact N-ND2 2.83Å; K396-N493 PolarHBondContact O-ND2 3.2Å; K397-N493 VanDerWaalsContact CE-OD1 3.32Å; K397-N493 WeakPolarHBondContact CE-OD1 3.47Å; F485-N493 PolarHBondContact O-ND2 3.45Å
494	L	98.1	Very high	93.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.1	176.6	175.2	64.1	0	0	0	109.8	W250 I370 W371 L372 Q392 L393 R394	W250-L494 HydrophobicContact CB-CD2 4.25Å; W250-L494 HydrophobicContact CE3-CD2 3.96Å; I370-L494 HydrophobicContact CD1-CD1 3.87Å; I370-L494 HydrophobicContact CG1-CD1 3.8Å; W371-L494 WeakPolarHBondContact O-CA 3.39Å; L372-L494 HydrophobicContact CB-CD1 4.16Å; L372-L494 HydrophobicContact CD1-CB 4.15Å; L372-L494 HydrophobicContact CD1-CD1 4.14Å; Q392-L494 PolarHBondContact NE2-O 3.41Å; L393-L494 WeakPolarHBondContact CA-O 3.45Å; L393-L494 HydrophobicContact CB-CD2 4.15Å; L393-L494 HydrophobicContact CB-CG 4.11Å; L393-L494 HydrophobicContact CD1-CD2 4.17Å; L393-L494 HydrophobicContact CD1-CG 4.27Å; L393-L494 PolarHBondContact N-O 3.46Å; R394-L494 HydrophobicContact CB-CB 3.94Å; R394-L494 HydrophobicContact CG-CB 4.24Å; R394-L494 HydrophobicContact CG-CD2 4.46Å; R394-L494 PolarHBondContact N-O 3.28Å; R394-L494 PolarHBondContact O-N 3.32Å
495	A	98.4	Very high	92.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.5	173.8	0	0	0	0	0	110.8	W371 L390 C391 K397	W371-A495 HydrophobicContact CB-CB 4.31Å; W371-A495 PolarHBondContact N-O 2.99Å; W371-A495 PolarHBondContact O-N 2.95Å; L390-A495 HydrophobicContact CD1-CB 4.13Å; C391-A495 CarbonylContact O-C 3.16Å; C391-A495 VanDerWaalsContact O-CA 3.25Å; C391-A495 WeakPolarHBondContact O-CA 3.1Å; C391-A495 WeakPolarHBondContact O-CB 3.37Å; K397-A495 HydrophobicContact CD-CB 4.31Å; K397-A495 VanDerWaalsContact CE-CB 3.47Å
496	V	98.3	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146	169.4	174.2	0	0	0	0	107	W250 I342 L353 V368 N369 C391 L393 F498	W250-V496 HydrophobicContact CH2-CG2 3.87Å; W250-V496 HydrophobicContact CZ3-CG2 3.56Å; I342-V496 HydrophobicContact CD1-CG1 3.96Å; I342-V496 HydrophobicContact CD1-CG2 4.04Å; L353-V496 HydrophobicContact CD1-CG1 3.91Å; L353-V496 HydrophobicContact CD2-CG1 4.48Å; L353-V496 HydrophobicContact CD2-CG2 4.35Å; V368-V496 HydrophobicContact CG1-CG1 4Å; N369-V496 CarbonylContact O-C 3.47Å; N369-V496 VanDerWaalsContact O-CA 3.27Å; N369-V496 WeakPolarHBondContact O-CA 3.05Å; N369-V496 WeakPolarHBondContact O-CG1 3.39Å; C391-V496 WeakPolarHBondContact CA-O 3.19Å; C391-V496 WeakPolarHBondContact CB-O 3.25Å; C391-V496 PolarHBondContact N-O 3Å; C391-V496 PolarHBondContact O-N 3.46Å; L393-V496 HydrophobicContact CD1-CG2 3.98Å; V496-F498 HydrophobicContact CG1-CE2 4.14Å; V496-F498 HydrophobicContact CG1-CZ 4.42Å
497	N	97.5	Very high	92.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.9	166.8	82.4	-37.6	0	0	0	113.2	V368 N369 W371 N388 F389 L390 W499	V368-N497 WeakPolarHBondContact CA-O 3.38Å; N369-N497 WeakPolarHBondContact CB-OD1 3.42Å; N369-N497 PolarHBondContact N-O 3.35Å; N369-N497 PolarHBondContact ND2-OD1 3.08Å; N369-N497 PolarHBondContact O-N 3.29Å; W371-N497 PolarHBondContact NE1-OD1 3.47Å; N388-N497 WeakPolarHBondContact OD1-CB 3.39Å; N388-N497 PolarHBondContact OD1-ND2 3.07Å; F389-N497 WeakPolarHBondContact O-CA 3.36Å; L390-N497 HydrophobicContact CD1-CB 4.04Å; N497-W499 PolarHBondContact ND2-NE1 3.46Å
498	F	97	Very high	91.8	Very high	13 Å²	13	29.5 Å²	29.5	6%	0.057	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.3	172.8	-57.7	-99.7	0	0	0	108.1	W244 L353 P365 V368 N388 F389 V496 Y500	W244-F498 AromaticContact CH2-CE2 3.62Å; W244-F498 HydrophobicContact CH2-CE2 3.62Å; W244-F498 HydrophobicContact CH2-CZ 4.05Å; W244-F498 AromaticContact CZ3-CE2 3.98Å; W244-F498 HydrophobicContact CZ3-CE2 3.98Å; W244-F498 HydrophobicContact CZ3-CZ 4.28Å; L353-F498 HydrophobicContact CB-CZ 4.18Å; L353-F498 HydrophobicContact CD1-CZ 4.1Å; P365-F498 HydrophobicContact CB-CB 4.32Å; P365-F498 HydrophobicContact CB-CD1 4.24Å; P365-F498 HydrophobicContact CG-CD1 4.24Å; V368-F498 HydrophobicContact CG1-CD1 4.09Å; V368-F498 HydrophobicContact CG1-CE1 3.91Å; V368-F498 HydrophobicContact CG1-CZ 4.4Å; V368-F498 HydrophobicContact CG2-CD1 3.85Å; V368-F498 HydrophobicContact CG2-CE1 4.15Å; N388-F498 WeakPolarHBondContact CA-O 3.02Å; F389-F498 HydrophobicContact CB-CB 4.3Å; F389-F498 HydrophobicContact CB-CD2 4.45Å; F389-F498 PolarHBondContact N-O 2.66Å; F389-F498 PolarHBondContact O-N 3.18Å; V496-F498 HydrophobicContact CG1-CE2 4.14Å; V496-F498 HydrophobicContact CG1-CZ 4.42Å; F498-Y500 HydrophobicContact CB-CD2 4.12Å; F498-Y500 HydrophobicContact CB-CE2 3.47Å; F498-Y500 VanDerWaalsContact CB-CE2 3.47Å; F498-Y500 HydrophobicContact CG-CE2 4.37Å
499	W	96.4	Very high	91.9	Very high	24 Å²	24	24 Å²	24	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114	172.3	-80	-14	0	0	0	109.2	Y339 P365 S366 H367 D384 Y386 N388 N497	Y339-W499 AromaticContact CD1-CH2 3.76Å; Y339-W499 HydrophobicContact CD1-CH2 3.76Å; Y339-W499 HydrophobicContact CD1-CZ2 4.37Å; Y339-W499 HydrophobicContact CD1-CZ3 4.49Å; Y339-W499 AromaticContact CE1-CH2 3.62Å; Y339-W499 HydrophobicContact CE1-CH2 3.62Å; Y339-W499 AromaticContact CE1-CZ2 3.99Å; Y339-W499 HydrophobicContact CE1-CZ2 3.99Å; P365-W499 CarbonylContact C-O 3.52Å; P365-W499 WeakPolarHBondContact CA-O 3.22Å; S366-W499 WeakPolarHBondContact CB-O 3.43Å; S366-W499 PolarHBondContact N-O 2.82Å; H367-W499 HydrophobicContact CB-CB 4.16Å; H367-W499 HydrophobicContact CB-CE3 4.04Å; H367-W499 AromaticContact CD2-CE3 3.9Å; H367-W499 PolarHBondContact N-O 3.28Å; H367-W499 PolarHBondContact O-N 3.19Å; D384-W499 WeakPolarHBondContact OD1-CZ2 3.21Å; D384-W499 PolarHBondContact OD2-NE1 3.25Å; Y386-W499 HydrophobicContact CD1-CB 3.79Å; Y386-W499 HydrophobicContact CD1-CG 4.28Å; Y386-W499 HydrophobicContact CD2-CB 4.25Å; Y386-W499 AromaticContact CD2-CD2 3.49Å; Y386-W499 HydrophobicContact CD2-CD2 3.49Å; Y386-W499 VanDerWaalsContact CD2-CD2 3.49Å; Y386-W499 AromaticContact CD2-CE2 3.89Å; Y386-W499 AromaticContact CD2-CE3 3.55Å; Y386-W499 HydrophobicContact CD2-CE3 3.55Å; Y386-W499 AromaticContact CD2-CG 3.84Å; Y386-W499 HydrophobicContact CD2-CG 3.84Å; Y386-W499 HydrophobicContact CD2-CH2 4.35Å; Y386-W499 HydrophobicContact CD2-CZ2 4.32Å; Y386-W499 AromaticContact CD2-CZ3 4Å; Y386-W499 HydrophobicContact CD2-CZ3 4Å; Y386-W499 HydrophobicContact CE2-CD2 4.01Å; Y386-W499 AromaticContact CE2-CE3 3.55Å; Y386-W499 HydrophobicContact CE2-CE3 3.55Å; Y386-W499 HydrophobicContact CE2-CH2 4.33Å; Y386-W499 AromaticContact CE2-CZ3 3.73Å; Y386-W499 HydrophobicContact CE2-CZ3 3.73Å; Y386-W499 HydrophobicContact CG-CB 3.65Å; Y386-W499 AromaticContact CG-CD2 3.83Å; Y386-W499 HydrophobicContact CG-CD2 3.83Å; Y386-W499 HydrophobicContact CG-CE3 4.13Å; Y386-W499 AromaticContact CG-CG 3.65Å; Y386-W499 HydrophobicContact CG-CG 3.65Å; N388-W499 VanDerWaalsContact CG-CD1 3.43Å; N388-W499 VanDerWaalsContact CG-NE1 3.31Å; N388-W499 PolarHBondContact ND2-NE1 3.1Å; N388-W499 VanDerWaalsContact ND2-NE1 3.12Å; N497-W499 PolarHBondContact ND2-NE1 3.46Å
500	Y	94.7	Very high	91.9	Very high	3 Å²	3	18 Å²	18	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	157.5	173.5	-65.3	-98.2	0	0	0	110.5	I359 M363 K364 P365 E387 F389 F498 R502	I359-Y500 HydrophobicContact CD1-CD1 3.97Å; I359-Y500 HydrophobicContact CD1-CD2 3.93Å; I359-Y500 HydrophobicContact CD1-CE1 4.11Å; I359-Y500 HydrophobicContact CD1-CE2 4.06Å; I359-Y500 HydrophobicContact CD1-CG 3.88Å; I359-Y500 HydrophobicContact CG1-CD1 4.31Å; I359-Y500 HydrophobicContact CG1-CE1 4.18Å; I359-Y500 HydrophobicContact CG2-CE1 4.25Å; I359-Y500 HydrophobicContact CG2-CE2 4.39Å; M363-Y500 HydrophobicContact CB-CD1 3.7Å; M363-Y500 HydrophobicContact CB-CE1 4.3Å; K364-Y500 VanDerWaalsContact C-CD1 3.42Å; K364-Y500 WeakPolarHBondContact O-CD1 3.37Å; P365-Y500 HydrophobicContact CB-CD1 4.32Å; P365-Y500 HydrophobicContact CB-CE1 4.05Å; P365-Y500 HydrophobicContact CB-CE2 4.36Å; P365-Y500 HydrophobicContact CG-CE1 4.35Å; E387-Y500 PolarHBondContact N-O 3.27Å; E387-Y500 VanDerWaalsContact N-O 3.09Å; E387-Y500 PolarHBondContact O-N 3.47Å; F389-Y500 AromaticContact CD2-CD2 3.65Å; F389-Y500 HydrophobicContact CD2-CD2 3.65Å; F389-Y500 AromaticContact CD2-CE2 3.63Å; F389-Y500 HydrophobicContact CD2-CE2 3.63Å; F389-Y500 AromaticContact CE2-CD2 3.83Å; F389-Y500 HydrophobicContact CE2-CD2 3.83Å; F389-Y500 AromaticContact CE2-CE2 3.96Å; F389-Y500 HydrophobicContact CE2-CE2 3.96Å; F389-Y500 HydrophobicContact CG-CE2 4.5Å; F498-Y500 HydrophobicContact CB-CD2 4.12Å; F498-Y500 HydrophobicContact CB-CE2 3.47Å; F498-Y500 VanDerWaalsContact CB-CE2 3.47Å; F498-Y500 HydrophobicContact CG-CE2 4.37Å; Y500-R502 PolarHBondContact O-N 3.34Å
501	P	91.9	Very high	91.9	Very high	50 Å²	50	18.3 Å²	18.3	33%	0.325	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	136.6	170	-23.9	34.1	0	0	0	111	E387	E387-P501 WeakPolarHBondContact CG-O 3.41Å
502	R	91.4	Very high	91.8	Very high	43 Å²	43	26 Å²	26	16%	0.162	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-62.7	143.9	176.6	61.3	-174	178.1	-98.2	11.4	112.6	E385 E387 Y500 W504 D505 Y518	E385-R502 WeakPolarHBondContact O-CB 3.3Å; E385-R502 WeakPolarHBondContact O-CD 3.45Å; E385-R502 IonicContact OE2-CZ 3.49Å; E385-R502 IonicContact OE2-NH1 3.85Å; E385-R502 PolarHBondContact OE2-NH1 2.99Å; E385-R502 IonicContact OE2-NH2 3.87Å; E387-R502 WeakPolarHBondContact OE1-CA 3.46Å; Y500-R502 PolarHBondContact O-N 3.34Å; R502-W504 WeakPolarHBondContact CB-O 3.37Å; R502-W504 WeakPolarHBondContact CD-O 3.42Å; R502-W504 WeakPolarHBondContact CG-O 3.23Å; R502-D505 IonicContact CZ-OD1 3.59Å; R502-D505 VanDerWaalsContact CZ-OD1 3.3Å; R502-D505 IonicContact NE-OD1 3.48Å; R502-D505 PolarHBondContact NE-OD1 3.13Å; R502-D505 IonicContact NH2-OD1 3.95Å; R502-D505 PolarHBondContact NH2-OD1 3.31Å; R502-Y518 HydrophobicContact CG-CD1 4.25Å; R502-Y518 WeakPolarHBondContact O-CD1 3.34Å; R502-Y518 WeakPolarHBondContact O-CB 3.43Å; R502-Y518 VanDerWaalsContact NE-CD2 3.31Å; R502-Y518 HydrophobicContact CG-CG 3.79Å; R502-Y518 HydrophobicContact CG-CE2 4.33Å; R502-Y518 HydrophobicContact CG-CD2 3.84Å; R502-Y518 VanDerWaalsContact CZ-CE2 3.44Å
503	F	88.7	Confident	91.3	Very high	60 Å²	60	27.2 Å²	27.2	26%	0.263	14%	0.137	S	C	.	.	S	Bend	trans	-89.2	-48.8	171.7	179.9	-88.6	0	0	0	111	L229 L230 E387 L517 Y518	L229-F503 HydrophobicContact CD1-CB 3.8Å; L229-F503 HydrophobicContact CD1-CG 4.44Å; L229-F503 HydrophobicContact CD2-CD2 4.38Å; L229-F503 HydrophobicContact CG-CB 4.14Å; L229-F503 HydrophobicContact CG-CD2 4.48Å; L229-F503 HydrophobicContact CG-CG 4.24Å; L230-F503 HydrophobicContact CD2-CD1 4.12Å; L230-F503 HydrophobicContact CD2-CD2 4.4Å; L230-F503 HydrophobicContact CD2-CE1 3.34Å; L230-F503 HydrophobicContact CD2-CE2 3.66Å; L230-F503 HydrophobicContact CD2-CZ 3.07Å; E387-F503 PolarHBondContact OE1-N 2.81Å; F503-L517 HydrophobicContact CE1-CD2 3.67Å; F503-L517 HydrophobicContact CZ-CD2 3.76Å; F503-Y518 VanDerWaalsContact O-CB 3.31Å; F503-Y518 WeakPolarHBondContact O-CB 3.45Å; F503-Y518 PolarHBondContact O-N 3.27Å
504	W	89.9	Confident	90.6	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.1	171	-65.6	108.7	0	0	0	109.3	F155 H158 Y159 L162 L230 S476 F477 R502 F515 E516 L517	F155-W504 HydrophobicContact CD2-CH2 4.03Å; F155-W504 HydrophobicContact CD2-CZ3 4.31Å; F155-W504 AromaticContact CE2-CH2 3.44Å; F155-W504 HydrophobicContact CE2-CH2 3.44Å; F155-W504 VanDerWaalsContact CE2-CH2 3.44Å; F155-W504 AromaticContact CE2-CZ3 3.32Å; F155-W504 HydrophobicContact CE2-CZ3 3.32Å; F155-W504 HydrophobicContact CZ-CH2 4.28Å; F155-W504 AromaticContact CZ-CZ3 3.92Å; F155-W504 HydrophobicContact CZ-CZ3 3.92Å; H158-W504 HydrophobicContact CB-CZ2 4.31Å; Y159-W504 HydrophobicContact CD2-CH2 4.16Å; Y159-W504 AromaticContact CD2-CZ3 3.84Å; Y159-W504 HydrophobicContact CD2-CZ3 3.84Å; L162-W504 HydrophobicContact CD2-CD2 4.34Å; L162-W504 HydrophobicContact CD2-CZ2 4Å; L230-W504 WeakPolarHBondContact O-CZ2 3.37Å; L230-W504 PolarHBondContact O-NE1 2.82Å; L230-W504 VanDerWaalsContact O-NE1 3.11Å; S476-W504 PolarHBondContact OG-O 3.01Å; F477-W504 WeakPolarHBondContact CE2-O 3.28Å; R502-W504 WeakPolarHBondContact CB-O 3.37Å; R502-W504 WeakPolarHBondContact CD-O 3.42Å; R502-W504 WeakPolarHBondContact CG-O 3.23Å; W504-F515 HydrophobicContact CE3-CB 4.22Å; W504-F515 HydrophobicContact CB-CE1 4.16Å; W504-F515 HydrophobicContact CB-CD1 3.72Å; W504-E516 CarbonylContact C-O 3.52Å; W504-L517 HydrophobicContact CE3-CD2 4.42Å; W504-L517 HydrophobicContact CH2-CD2 4.34Å; W504-L517 HydrophobicContact CZ3-CD2 4.13Å
505	D	87.6	Confident	89.9	Confident	11 Å²	11	30.9 Å²	30.9	6%	0.059	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	157.9	176.8	-167.5	31.4	0	0	0	109.6	R101 R502 F515 E516 Y518	R101-D505 IonicContact CZ-OD2 2.68Å; R101-D505 IonicContact NH1-OD2 3.72Å; R101-D505 PolarHBondContact NH1-OD2 2.97Å; R502-D505 IonicContact CZ-OD1 3.59Å; R502-D505 VanDerWaalsContact CZ-OD1 3.3Å; R502-D505 IonicContact NE-OD1 3.48Å; R502-D505 PolarHBondContact NE-OD1 3.13Å; R502-D505 IonicContact NH2-OD1 3.95Å; R502-D505 PolarHBondContact NH2-OD1 3.31Å; D505-F515 CarbonylContact O-C 3.53Å; D505-F515 WeakPolarHBondContact O-CA 3.3Å; D505-E516 PolarHBondContact N-O 2.75Å; D505-E516 PolarHBondContact O-N 3.47Å; D505-Y518 HydrophobicContact CB-CD2 3.99Å
506	K	86.3	Confident	89	Confident	6 Å²	6	33.8 Å²	33.8	3%	0.026	17%	0.173	C	C	.	.			trans	-155.8	142.1	174.9	178.5	-176.2	153.4	-155.8	0	108.6	N407 E412 F477 F508 C513 F515	N407-K506 WeakPolarHBondContact ND2-CE 3.23Å; N407-K506 PolarHBondContact ND2-NZ 2.96Å; N407-K506 PolarHBondContact OD1-NZ 3.13Å; E412-K506 IonicContact OE1-NZ 2.63Å; F477-K506 HydrophobicContact CD1-CB 4.49Å; F477-K506 HydrophobicContact CE1-CB 4.38Å; F477-K506 HydrophobicContact CE2-CB 4.35Å; F477-K506 HydrophobicContact CZ-CB 4.29Å; K506-F508 VanDerWaalsContact O-CD1 3.32Å; K506-F508 WeakPolarHBondContact O-CD1 3.06Å; K506-C513 HydrophobicContact CG-CB 4.48Å; K506-F515 HydrophobicContact CB-CD1 4.19Å; K506-F515 HydrophobicContact CB-CE1 4.39Å
507	E	85.7	Confident	87.9	Confident	35 Å²	35	35.4 Å²	35.4	16%	0.164	18%	0.182	C	C	.	.			trans	-71.1	137.3	170.2	-65.9	-178.4	-130.6	0	0	110.6	R104 C510 C513	R104-E507 IonicContact CZ-OE2 3.08Å; R104-E507 IonicContact NE-OE2 2.75Å; R104-E507 PolarHBondContact NE-OE2 3.26Å; R104-E507 IonicContact NH2-OE2 2.85Å; R104-E507 PolarHBondContact NH2-OE2 3.45Å; R104-E507 VanDerWaalsContact NH2-OE2 3.1Å; E507-C510 HydrophobicContact CB-CB 4.23Å; E507-C510 WeakPolarHBondContact O-CB 3.21Å; E507-C513 HydrophobicContact CB-CB 4.09Å
508	F	87	Confident	86.8	Confident	36 Å²	36	39.4 Å²	39.4	16%	0.158	20%	0.197	C	C	.	.	S	Bend	trans	-144.2	146.8	176.2	58.6	-87.8	0	0	0	113.3	R104 V105 F383 E412 F477 K506	R104-F508 VanDerWaalsContact CB-O 3.31Å; R104-F508 WeakPolarHBondContact CB-O 3.48Å; V105-F508 HydrophobicContact CG2-CE2 4.43Å; F383-F508 HydrophobicContact CE2-CD1 4.32Å; F383-F508 HydrophobicContact CE2-CD2 4.25Å; F383-F508 HydrophobicContact CE2-CG 4.15Å; F383-F508 HydrophobicContact CZ-CB 3.86Å; F383-F508 HydrophobicContact CZ-CD1 4.35Å; F383-F508 AromaticContact CZ-CD2 3.94Å; F383-F508 HydrophobicContact CZ-CD2 3.94Å; F383-F508 AromaticContact CZ-CG 3.79Å; F383-F508 HydrophobicContact CZ-CG 3.79Å; E412-F508 WeakPolarHBondContact OE1-CB 3.22Å; F477-F508 HydrophobicContact CD1-CD1 4.45Å; F477-F508 AromaticContact CE1-CD1 3.63Å; F477-F508 HydrophobicContact CE1-CD1 3.63Å; F477-F508 AromaticContact CE1-CE1 3.63Å; F477-F508 HydrophobicContact CE1-CE1 3.63Å; F477-F508 HydrophobicContact CZ-CD1 4.46Å; F477-F508 HydrophobicContact CZ-CE1 4.25Å; K506-F508 VanDerWaalsContact O-CD1 3.32Å; K506-F508 WeakPolarHBondContact O-CD1 3.06Å
509	P	87.2	Confident	85.3	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.084	21%	0.213	C	C	.	.	S	Bend	cis	-71.8	127.8	-7.8	29.5	-32.7	0	0	0	110.3	R104 E412 Y414 T439	R104-P509 VanDerWaalsContact CD-O 3.27Å; R104-P509 WeakPolarHBondContact CD-O 3.41Å; E412-P509 HydrophobicContact CG-CB 3.98Å; Y414-P509 HydrophobicContact CD2-CG 3.47Å; Y414-P509 VanDerWaalsContact CD2-CG 3.47Å; Y414-P509 HydrophobicContact CE2-CG 3.22Å; Y414-P509 HydrophobicContact CG-CG 4.24Å; Y414-P509 VanDerWaalsContact OH-CD 3.25Å; Y414-P509 WeakPolarHBondContact OH-CD 3.45Å; T439-P509 HydrophobicContact CG2-CB 3.93Å; T439-P509 WeakPolarHBondContact OG1-CD 3.31Å
510	C	86.9	Confident	83.4	Confident	22 Å²	22	45.8 Å²	45.8	15%	0.149	24%	0.237	C	C	.	.			trans	-157.8	87.8	174.4	-175.2	0	0	0	0	108.6	N407 E412 E507 K512 C513	N407-C510 PolarHBondContact ND2-O 3.43Å; E412-C510 PolarHBondContact OE2-N 3.36Å; E507-C510 HydrophobicContact CB-CB 4.23Å; E507-C510 WeakPolarHBondContact O-CB 3.21Å; C510-K512 PolarHBondContact O-N 2.87Å; C510-C513 CovalentContact SG-SG 2.03Å; C510-C513 PolarHBondContact SG-SG 3.22Å; C510-C513 PolarHBondContact SG-N 3.43Å; C510-C513 WeakPolarHBondContact SG-CB 3.48Å; C510-C513 PolarHBondContact O-N 2.91Å; C510-C513 WeakPolarHBondContact CB-SG 3.37Å; C510-C513 HydrophobicContact CB-CB 3.54Å
511	A	85	Confident	81.4	Confident	41 Å²	41	50.7 Å²	50.7	34%	0.339	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.7	-41.3	175.7	0	0	0	0	0	114.2	N407 D408 E412	N407-A511 WeakPolarHBondContact ND2-CA 3.49Å; N407-A511 PolarHBondContact ND2-O 3.39Å; D408-A511 HydrophobicContact CB-CB 4.37Å; D408-A511 PolarHBondContact N-O 3.34Å; E412-A511 PolarHBondContact OE2-N 3.45Å; E412-A511 VanDerWaalsContact OE2-N 3.14Å
512	K	87	Confident	78.9	Confident	186 Å²	186	50 Å²	50	81%	0.809	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-0.6	-170.9	-59.5	-178.1	179.4	-179.1	0	114.6	C510	C510-K512 PolarHBondContact O-N 2.87Å
513	C	84.9	Confident	76.2	Confident	24 Å²	24	53.9 Å²	53.9	16%	0.162	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-72.3	130.8	179.8	-73	0	0	0	0	109.4	K506 E507 C510	K506-C513 HydrophobicContact CG-CB 4.48Å; E507-C513 HydrophobicContact CB-CB 4.09Å; C510-C513 CovalentContact SG-SG 2.03Å; C510-C513 PolarHBondContact SG-SG 3.22Å; C510-C513 PolarHBondContact SG-N 3.43Å; C510-C513 WeakPolarHBondContact SG-CB 3.48Å; C510-C513 PolarHBondContact O-N 2.91Å; C510-C513 WeakPolarHBondContact CB-SG 3.37Å; C510-C513 HydrophobicContact CB-CB 3.54Å
514	P	82.3	Confident	73.6	Confident	65 Å²	65	54.6 Å²	54.6	42%	0.422	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-71.5	166.4	178.6	32.3	-35.7	0	0	0	110.9
515	F	82.9	Confident	70.7	Confident	14 Å²	14	65.6 Å²	65.6	6%	0.061	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-67.3	142.8	162	-79.5	-75.6	0	0	0	110.5	Y159 L162 P404 Q405 F477 W504 D505 K506	Y159-F515 HydrophobicContact CE2-CB 4.05Å; Y159-F515 VanDerWaalsContact CE2-O 3.26Å; Y159-F515 WeakPolarHBondContact CE2-O 3.47Å; L162-F515 HydrophobicContact CD1-CB 4.4Å; L162-F515 HydrophobicContact CD1-CD2 4.34Å; P404-F515 HydrophobicContact CB-CE2 3.84Å; P404-F515 HydrophobicContact CB-CZ 3.57Å; P404-F515 HydrophobicContact CG-CE2 3.75Å; P404-F515 HydrophobicContact CG-CZ 3.5Å; Q405-F515 HydrophobicContact CG-CD2 4.39Å; Q405-F515 HydrophobicContact CG-CE2 4.19Å; F477-F515 HydrophobicContact CB-CE1 4.02Å; F477-F515 HydrophobicContact CB-CZ 4.04Å; F477-F515 AromaticContact CD2-CE1 3.66Å; F477-F515 HydrophobicContact CD2-CE1 3.66Å; F477-F515 HydrophobicContact CD2-CZ 4.5Å; F477-F515 HydrophobicContact CE2-CE1 4.49Å; F477-F515 HydrophobicContact CG-CE1 4.11Å; W504-F515 HydrophobicContact CE3-CB 4.22Å; W504-F515 HydrophobicContact CB-CE1 4.16Å; W504-F515 HydrophobicContact CB-CD1 3.72Å; D505-F515 CarbonylContact O-C 3.53Å; D505-F515 WeakPolarHBondContact O-CA 3.3Å; K506-F515 HydrophobicContact CB-CD1 4.19Å; K506-F515 HydrophobicContact CB-CE1 4.39Å
516	E	81	Confident	68.1	Low	60 Å²	60	74.2 Å²	74.2	28%	0.28	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	166	174.2	-61.8	-173	174.1	0	0	108.9	R101 W504 D505	R101-E516 IonicContact CZ-OE2 3.89Å; R101-E516 IonicContact NE-OE2 3.53Å; R101-E516 IonicContact NH2-OE2 3.55Å; R101-E516 PolarHBondContact NH2-OE2 2.82Å; W504-E516 CarbonylContact C-O 3.52Å; D505-E516 PolarHBondContact N-O 2.75Å; D505-E516 PolarHBondContact O-N 3.47Å
517	L	75.4	Confident	67.2	Low	34 Å²	34	77.6 Å²	77.6	18%	0.178	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.4	169.6	-71.5	169.9	0	0	0	109.8	F141 F155 F503 W504 L519	F141-L517 HydrophobicContact CE2-CD1 3.9Å; F141-L517 HydrophobicContact CZ-CD1 3.48Å; F141-L517 VanDerWaalsContact CZ-CD1 3.48Å; F155-L517 HydrophobicContact CD2-CD1 3.46Å; F155-L517 VanDerWaalsContact CD2-CD1 3.46Å; F155-L517 HydrophobicContact CD2-CD2 3.74Å; F155-L517 HydrophobicContact CD2-CG 3.57Å; F155-L517 HydrophobicContact CE2-CD1 3.65Å; F155-L517 HydrophobicContact CE2-CD2 3.59Å; F155-L517 HydrophobicContact CE2-CG 3.25Å; F155-L517 HydrophobicContact CG-CD1 4.17Å; F155-L517 HydrophobicContact CZ-CD1 4.47Å; F155-L517 HydrophobicContact CZ-CG 4.12Å; F503-L517 HydrophobicContact CE1-CD2 3.67Å; F503-L517 HydrophobicContact CZ-CD2 3.76Å; W504-L517 HydrophobicContact CE3-CD2 4.42Å; W504-L517 HydrophobicContact CH2-CD2 4.34Å; W504-L517 HydrophobicContact CZ3-CD2 4.13Å; L517-L519 HydrophobicContact CB-CD2 4.32Å; L517-L519 HydrophobicContact CB-CG 4.41Å; L517-L519 PolarHBondContact O-N 2.8Å
518	Y	74.4	Confident	66.2	Low	86 Å²	86	79.8 Å²	79.8	34%	0.337	42%	0.415	S	S	.	.			trans	-71.4	96.8	167.8	-173.8	-114.8	0	0	0	110.2	R502 F503 D505 T520	R502-Y518 HydrophobicContact CG-CD1 4.25Å; R502-Y518 WeakPolarHBondContact O-CD1 3.34Å; R502-Y518 WeakPolarHBondContact O-CB 3.43Å; R502-Y518 VanDerWaalsContact NE-CD2 3.31Å; R502-Y518 HydrophobicContact CG-CG 3.79Å; R502-Y518 HydrophobicContact CG-CE2 4.33Å; R502-Y518 HydrophobicContact CG-CD2 3.84Å; R502-Y518 VanDerWaalsContact CZ-CE2 3.44Å; F503-Y518 VanDerWaalsContact O-CB 3.31Å; F503-Y518 WeakPolarHBondContact O-CB 3.45Å; F503-Y518 PolarHBondContact O-N 3.27Å; D505-Y518 HydrophobicContact CB-CD2 3.99Å; Y518-T520 HydrophobicContact CD1-CG2 4.15Å; Y518-T520 HydrophobicContact CE1-CG2 3.54Å
519	L	64	Low	65.1	Low	75 Å²	75	82.3 Å²	82.3	39%	0.393	43%	0.429	S	S	.	.			trans	-91.7	107.3	173.1	-59.1	173.1	0	0	0	108.2	G139 L517	G139-L519 VanDerWaalsContact CA-CD1 3.43Å; L517-L519 HydrophobicContact CB-CD2 4.32Å; L517-L519 HydrophobicContact CB-CG 4.41Å; L517-L519 PolarHBondContact O-N 2.8Å
520	T	57	Low	63.8	Low	96 Å²	96	86.4 Å²	86.4	59%	0.589	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-62	149.7	169.3	53.2	0	0	0	0	110.2	Y518	Y518-T520 HydrophobicContact CD1-CG2 4.15Å; Y518-T520 HydrophobicContact CE1-CG2 3.54Å
521	E	52.8	Low	62.4	Low	106 Å²	106	90.4 Å²	90.4	50%	0.495	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-51	131.9	169.6	-76.1	-167.7	-159.4	0	0	109.8	K83 K117 V523	K83-E521 IonicContact NZ-OE2 3.1Å; K83-E521 PolarHBondContact NZ-OE2 3.08Å; K117-E521 IonicContact NZ-OE1 2.83Å; K117-E521 PolarHBondContact NZ-OE1 2.9Å; K117-E521 IonicContact NZ-OE2 3.4Å; K117-E521 PolarHBondContact NZ-OE2 3.41Å; E521-V523 PolarHBondContact O-N 2.87Å
522	P	40.4	Very low	60.8	Low	37 Å²	37	93.7 Å²	93.7	24%	0.24	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-64	129.8	179.5	25.7	-34	0	0	0	109.8	Y119 M136 M137 I524	Y119-P522 HydrophobicContact CD1-CG 4.39Å; Y119-P522 HydrophobicContact CE1-CG 3.98Å; M136-P522 HydrophobicContact CE-CB 3.74Å; M136-P522 HydrophobicContact CE-CG 4.45Å; M136-P522 HydrophobicContact SD-CB 4.33Å; M137-P522 HydrophobicContact CE-CG 4.07Å; M137-P522 HydrophobicContact SD-CB 4.45Å; M137-P522 HydrophobicContact SD-CG 3.68Å; P522-I524 PolarHBondContact O-N 2.83Å; P522-I524 VanDerWaalsContact O-N 3.11Å
523	V	34.6	Very low	59	Low	123 Å²	123	87.1 Å²	87.1	75%	0.745	45%	0.453	S	S	*	.			trans	-77	95.6	167.3	-177.2	0	0	0	0	107.2	E521 R525	E521-V523 PolarHBondContact O-N 2.87Å; V523-R525 HydrophobicContact CG1-CG 4.3Å; V523-R525 PolarHBondContact O-N 3.34Å
524	I	34.4	Very low	57	Low	76 Å²	76	91.9 Å²	91.9	39%	0.39	48%	0.475	S	S	.	.			trans	-68.6	101.9	172.4	-48.7	173.4	0	0	0	107.2	K83 Y119 P522 T526	K83-I524 HydrophobicContact CB-CD1 3.95Å; K83-I524 WeakPolarHBondContact O-CD1 3.33Å; Y119-I524 HydrophobicContact CD1-CD1 3.63Å; Y119-I524 HydrophobicContact CD1-CG1 4.38Å; Y119-I524 HydrophobicContact CE1-CD1 4.12Å; P522-I524 PolarHBondContact O-N 2.83Å; P522-I524 VanDerWaalsContact O-N 3.11Å; I524-T526 PolarHBondContact O-N 3.17Å
525	R	28.9	Very low	54.9	Low	231 Å²	231	94.2 Å²	94.2	87%	0.872	48%	0.48	S	S	*	.			trans	-81.5	103	167.1	-65.5	-173.8	-178.6	-172.6	1.4	106.9	V523	V523-R525 HydrophobicContact CG1-CG 4.3Å; V523-R525 PolarHBondContact O-N 3.34Å
526	T	32.9	Very low	52.3	Low	192 Å²	192	101.5 Å²	101.5	100%	1.178	52%	0.518	S	S	*	.			trans	-66.6	0	169.3	54.2	0	0	0	0	111.5	I524	I524-T526 PolarHBondContact O-N 3.17Å

Retrieved 526 of 526 residues in 2673.9 ms (Link to these results)

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