A0A077Z0V0_TRITR Loading...

Histone-lysine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z0V0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 503 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	52	Low	46.1	Very low	110 Å²	110	118.2 Å²	118.2	54%	0.542	57%	0.567	S	S	.	*				0	98	0	-171.4	-175.7	-69.8	0	0	109.4	K3 W14 E15	M1-K3 HydrophobicContact CG-CG 4.09Å; M1-K3 HydrophobicContact SD-CD 4.25Å; M1-K3 WeakPolarHBondContact SD-CE 3.34Å; M1-K3 HydrophobicContact SD-CG 4.05Å; M1-W14 HydrophobicContact CE-CH2 4.48Å; M1-W14 HydrophobicContact CE-CZ2 4.04Å; M1-E15 PolarHBondContact N-O 3.42Å
2	V	40.7	Very low	46.4	Very low	38 Å²	38	112.6 Å²	112.6	23%	0.23	54%	0.542	C	S	.	.	B	Isolated β-bridge	trans	-90.1	108.5	169	177.5	0	0	0	0	107.3	W4 N13 V17 L20	V2-W4 HydrophobicContact CG1-CD2 4.37Å; V2-W4 HydrophobicContact CG1-CZ2 4.27Å; V2-N13 PolarHBondContact N-O 3.37Å; V2-V17 HydrophobicContact CG2-CG2 4.13Å; V2-L20 HydrophobicContact CG2-CD1 3.42Å; V2-L20 VanDerWaalsContact CG2-CD1 3.42Å
3	K	47.6	Very low	46.5	Very low	144 Å²	144	108.8 Å²	108.8	63%	0.626	53%	0.527	S	S	*	.			trans	-86.2	114.1	170.9	-70	-170.2	-176.9	-175.8	0	108.6	M1 K5 N12	M1-K3 HydrophobicContact CG-CG 4.09Å; M1-K3 HydrophobicContact SD-CD 4.25Å; M1-K3 WeakPolarHBondContact SD-CE 3.34Å; M1-K3 HydrophobicContact SD-CG 4.05Å; K3-K5 PolarHBondContact O-N 3.07Å; K3-K5 VanDerWaalsContact O-N 3.09Å; K3-N12 WeakPolarHBondContact CA-OD1 3.17Å
4	W	44.8	Very low	47	Very low	98 Å²	98	112.9 Å²	112.9	37%	0.371	53%	0.534	S	S	.	.			trans	-74.6	101.3	176.3	-62.8	95.4	0	0	0	108.5	V2 H6 W7 Y11 N12 F29	V2-W4 HydrophobicContact CG1-CD2 4.37Å; V2-W4 HydrophobicContact CG1-CZ2 4.27Å; W4-H6 PolarHBondContact O-N 3.12Å; W4-W7 HydrophobicContact CB-CB 3.98Å; W4-W7 HydrophobicContact CB-CG 4.36Å; W4-W7 PolarHBondContact O-N 2.9Å; W4-Y11 PolarHBondContact NE1-O 3.49Å; W4-N12 PolarHBondContact N-OD1 3.4Å; W4-F29 AromaticContact CZ3-CE2 3.91Å; W4-F29 HydrophobicContact CZ3-CE2 3.91Å; W4-F29 HydrophobicContact CZ3-CZ 4.04Å
5	K	40	Very low	47.1	Very low	169 Å²	169	109.7 Å²	109.7	74%	0.735	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	134.7	176.5	-78.9	-176	176.3	177.2	0	109.2	K3 W7	K3-K5 PolarHBondContact O-N 3.07Å; K3-K5 VanDerWaalsContact O-N 3.09Å; K5-W7 VanDerWaalsContact C-N 3.31Å; K5-W7 PolarHBondContact O-N 2.7Å
6	H	42.4	Very low	47.2	Very low	158 Å²	158	105.9 Å²	105.9	73%	0.731	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	4.6	-178.8	-45.7	-70.3	0	0	0	116.7	W4	W4-H6 PolarHBondContact O-N 3.12Å
7	W	37.5	Very low	47	Very low	158 Å²	158	105.6 Å²	105.6	60%	0.598	51%	0.512	S	S	*	.	S	Bend	trans	-106.9	150.9	172	-73.5	75.2	0	0	0	111.4	W4 K5 Y11	W4-W7 HydrophobicContact CB-CB 3.98Å; W4-W7 HydrophobicContact CB-CG 4.36Å; W4-W7 PolarHBondContact O-N 2.9Å; K5-W7 VanDerWaalsContact C-N 3.31Å; K5-W7 PolarHBondContact O-N 2.7Å; W7-Y11 HydrophobicContact CE3-CD1 4.38Å; W7-Y11 HydrophobicContact CE3-CD2 4.14Å; W7-Y11 HydrophobicContact CE3-CE2 4.3Å; W7-Y11 HydrophobicContact CE3-CG 4.18Å; W7-Y11 HydrophobicContact CZ3-CE1 4.5Å
8	P	48.4	Very low	47.1	Very low	76 Å²	76	108.4 Å²	108.4	49%	0.494	53%	0.525	S	S	.	.			trans	-54.3	145.8	172.5	-22.7	32.7	0	0	0	110.9	T10 Y11	P8-T10 PolarHBondContact O-N 3.02Å; P8-Y11 HydrophobicContact CB-CD2 4.16Å; P8-Y11 HydrophobicContact CB-CE2 4.45Å; P8-Y11 HydrophobicContact CG-CD2 4.26Å; P8-Y11 HydrophobicContact CG-CE2 4.27Å; P8-Y11 PolarHBondContact O-N 3.09Å
9	S	59.4	Low	47.3	Very low	93 Å²	93	107.5 Å²	107.5	65%	0.65	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-60.1	-19.9	-174.7	51.8	0	0	0	0	114.1	Y11 N12	S9-Y11 PolarHBondContact O-N 3.29Å; S9-N12 WeakPolarHBondContact CA-ND2 3.38Å; S9-N12 WeakPolarHBondContact O-CB 3.26Å; S9-N12 PolarHBondContact O-N 3.03Å; S9-N12 VanDerWaalsContact O-N 3.14Å; S9-N12 PolarHBondContact O-ND2 3.26Å
10	T	49.1	Very low	47.4	Very low	115 Å²	115	105.2 Å²	105.2	71%	0.706	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-61.4	-19.3	174.3	54.8	0	0	0	0	113.7	P8	P8-T10 PolarHBondContact O-N 3.02Å
11	Y	44.9	Very low	47.5	Very low	141 Å²	141	110 Å²	110	55%	0.553	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-94.3	-3.4	177.8	-69.2	-90.7	0	0	0	113.4	W4 W7 P8 S9 N13	W4-Y11 PolarHBondContact NE1-O 3.49Å; W7-Y11 HydrophobicContact CE3-CD1 4.38Å; W7-Y11 HydrophobicContact CE3-CD2 4.14Å; W7-Y11 HydrophobicContact CE3-CE2 4.3Å; W7-Y11 HydrophobicContact CE3-CG 4.18Å; W7-Y11 HydrophobicContact CZ3-CE1 4.5Å; P8-Y11 HydrophobicContact CB-CD2 4.16Å; P8-Y11 HydrophobicContact CB-CE2 4.45Å; P8-Y11 HydrophobicContact CG-CD2 4.26Å; P8-Y11 HydrophobicContact CG-CE2 4.27Å; P8-Y11 PolarHBondContact O-N 3.09Å; S9-Y11 PolarHBondContact O-N 3.29Å; Y11-N13 PolarHBondContact O-N 3.03Å
12	N	50	Low	47.7	Very low	51 Å²	51	106.9 Å²	106.9	27%	0.273	52%	0.515	S	S	.	.			trans	-68.9	129.9	175.9	-64.7	-32	0	0	0	109.4	K3 W4 S9	K3-N12 WeakPolarHBondContact CA-OD1 3.17Å; W4-N12 PolarHBondContact N-OD1 3.4Å; S9-N12 WeakPolarHBondContact CA-ND2 3.38Å; S9-N12 WeakPolarHBondContact O-CB 3.26Å; S9-N12 PolarHBondContact O-N 3.03Å; S9-N12 VanDerWaalsContact O-N 3.14Å; S9-N12 PolarHBondContact O-ND2 3.26Å
13	N	47	Very low	48.5	Very low	63 Å²	63	108.6 Å²	108.6	34%	0.337	53%	0.527	S	S	.	.	B	Isolated β-bridge	trans	-106.4	144.6	176.8	58	5.6	0	0	0	111	V2 Y11 E15	V2-N13 PolarHBondContact N-O 3.37Å; Y11-N13 PolarHBondContact O-N 3.03Å; N13-E15 VanDerWaalsContact C-N 3.25Å; N13-E15 PolarHBondContact O-N 3.05Å
14	W	54.3	Low	48.6	Very low	167 Å²	167	111.5 Å²	111.5	63%	0.633	53%	0.534	S	S	*	.			trans	-87.2	16.9	-170.2	-110.7	100.4	0	0	0	114.2	M1 P16 E364	M1-W14 HydrophobicContact CE-CH2 4.48Å; M1-W14 HydrophobicContact CE-CZ2 4.04Å; W14-P16 WeakPolarHBondContact O-CD 3.29Å; W14-E364 VanDerWaalsContact NE1-CD 3.26Å; W14-E364 PolarHBondContact NE1-OE1 3.45Å; W14-E364 PolarHBondContact NE1-OE2 2.78Å
15	E	47.9	Very low	48.8	Very low	64 Å²	64	111.7 Å²	111.7	30%	0.299	54%	0.542	S	S	.	.			trans	-76.6	126.7	178.6	-146.4	79.6	-127.8	0	0	109.9	M1 N13 N19 L20	M1-E15 PolarHBondContact N-O 3.42Å; N13-E15 VanDerWaalsContact C-N 3.25Å; N13-E15 PolarHBondContact O-N 3.05Å; E15-N19 HydrophobicContact CG-CB 3.74Å; E15-L20 HydrophobicContact CB-CD1 3.93Å; E15-L20 HydrophobicContact CB-CD2 3.69Å; E15-L20 HydrophobicContact CB-CG 3.61Å; E15-L20 HydrophobicContact CG-CD1 4.48Å; E15-L20 HydrophobicContact CG-CD2 3.64Å; E15-L20 HydrophobicContact CG-CG 3.62Å
16	P	48.5	Very low	49.4	Very low	50 Å²	50	108.1 Å²	108.1	33%	0.325	53%	0.53	S	S	.	.			trans	-55.5	143.7	163.7	-20.9	32	0	0	0	109.7	W14 E18 N19 L20	W14-P16 WeakPolarHBondContact O-CD 3.29Å; P16-E18 WeakPolarHBondContact CB-OE2 3.44Å; P16-E18 PolarHBondContact O-N 3.35Å; P16-E18 VanDerWaalsContact O-N 3.16Å; P16-N19 PolarHBondContact O-N 2.9Å; P16-L20 PolarHBondContact O-N 3.37Å
17	V	43.8	Very low	50	Low	100 Å²	100	106.7 Å²	106.7	61%	0.606	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-59.7	-30.1	-179	166.5	0	0	0	0	110.9	V2 N19 L20	V2-V17 HydrophobicContact CG2-CG2 4.13Å; V17-N19 VanDerWaalsContact C-N 3.28Å; V17-N19 PolarHBondContact O-N 3.15Å; V17-L20 PolarHBondContact O-N 3.36Å
18	E	49	Very low	50.7	Low	157 Å²	157	104 Å²	104	73%	0.734	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-65.8	-29.8	176.3	-52.7	87.1	-158.7	0	0	112.8	P16	P16-E18 WeakPolarHBondContact CB-OE2 3.44Å; P16-E18 PolarHBondContact O-N 3.35Å; P16-E18 VanDerWaalsContact O-N 3.16Å
19	N	51.9	Low	50.9	Low	91 Å²	91	104.5 Å²	104.5	49%	0.487	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-84.2	-12.1	178.2	-71.9	2.7	0	0	0	112.8	E15 P16 V17 Y21	E15-N19 HydrophobicContact CG-CB 3.74Å; P16-N19 PolarHBondContact O-N 2.9Å; V17-N19 VanDerWaalsContact C-N 3.28Å; V17-N19 PolarHBondContact O-N 3.15Å; N19-Y21 VanDerWaalsContact C-N 3.28Å; N19-Y21 PolarHBondContact O-N 3.09Å
20	L	47.6	Very low	50.9	Low	61 Å²	61	105.5 Å²	105.5	32%	0.319	51%	0.509	S	S	.	.			trans	-89.3	31.2	178.3	-72.5	170.5	0	0	0	113.3	V2 E15 P16 V17 C22	V2-L20 HydrophobicContact CG2-CD1 3.42Å; V2-L20 VanDerWaalsContact CG2-CD1 3.42Å; E15-L20 HydrophobicContact CB-CD1 3.93Å; E15-L20 HydrophobicContact CB-CD2 3.69Å; E15-L20 HydrophobicContact CB-CG 3.61Å; E15-L20 HydrophobicContact CG-CD1 4.48Å; E15-L20 HydrophobicContact CG-CD2 3.64Å; E15-L20 HydrophobicContact CG-CG 3.62Å; P16-L20 PolarHBondContact O-N 3.37Å; V17-L20 PolarHBondContact O-N 3.36Å; L20-C22 PolarHBondContact O-N 3.48Å
21	Y	49.6	Very low	51.5	Low	205 Å²	205	105.2 Å²	105.2	80%	0.804	50%	0.5	S	S	*	.			trans	-76.2	71.2	175.3	-156	-93.7	0	0	0	111.4	N19 P23	N19-Y21 VanDerWaalsContact C-N 3.28Å; N19-Y21 PolarHBondContact O-N 3.09Å; Y21-P23 HydrophobicContact CD1-CG 4.09Å; Y21-P23 HydrophobicContact CE1-CG 3.75Å; Y21-P23 WeakPolarHBondContact O-CD 3.4Å
22	C	57.2	Low	51.8	Low	46 Å²	46	104.3 Å²	104.3	31%	0.311	50%	0.501	S	S	.	.			trans	-120.4	78.7	174.8	-161.9	0	0	0	0	110.2	L20 R24 L25 L26	L20-C22 PolarHBondContact O-N 3.48Å; C22-R24 PolarHBondContact O-N 3.36Å; C22-R24 VanDerWaalsContact O-N 3.09Å; C22-L25 HydrophobicContact CB-CB 4.05Å; C22-L25 HydrophobicContact CB-CD1 4.46Å; C22-L25 PolarHBondContact O-N 2.97Å; C22-L25 VanDerWaalsContact SG-CD1 3.55Å; C22-L26 PolarHBondContact O-N 3.44Å
23	P	58.2	Low	51.9	Low	74 Å²	74	104.5 Å²	104.5	48%	0.481	50%	0.504	S	S	.	.	H	α-helix	trans	-54.6	-35.4	-174	-24.1	31.6	0	0	0	113	Y21 L25 L26 Q27	Y21-P23 HydrophobicContact CD1-CG 4.09Å; Y21-P23 HydrophobicContact CE1-CG 3.75Å; Y21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-L25 PolarHBondContact O-N 3.35Å; P23-L26 PolarHBondContact O-N 3.42Å; P23-Q27 WeakPolarHBondContact O-CB 3.2Å; P23-Q27 PolarHBondContact O-N 3.23Å
24	R	48.9	Very low	52.2	Low	204 Å²	204	109.5 Å²	109.5	77%	0.77	53%	0.525	S	S	*	.	H	α-helix	trans	-67.3	-35.7	-179.5	-141.6	173.9	-171.1	177.1	2	112.5	C22 L28	C22-R24 PolarHBondContact O-N 3.36Å; C22-R24 VanDerWaalsContact O-N 3.09Å; R24-L28 WeakPolarHBondContact O-CG 3.49Å; R24-L28 PolarHBondContact O-N 2.96Å
25	L	50	Low	52.1	Low	102 Å²	102	108.2 Å²	108.2	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-71.6	-41.6	176.4	-118.8	111.6	0	0	0	111.4	C22 P23 Q27 L28 F29	C22-L25 HydrophobicContact CB-CB 4.05Å; C22-L25 HydrophobicContact CB-CD1 4.46Å; C22-L25 PolarHBondContact O-N 2.97Å; C22-L25 VanDerWaalsContact SG-CD1 3.55Å; P23-L25 PolarHBondContact O-N 3.35Å; L25-Q27 VanDerWaalsContact C-N 3.32Å; L25-Q27 PolarHBondContact O-N 3.3Å; L25-L28 PolarHBondContact O-N 3.07Å; L25-F29 PolarHBondContact O-N 3.42Å
26	L	50.9	Low	52.1	Low	95 Å²	95	110.8 Å²	110.8	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-63.2	-40.4	176.1	-74.2	168.2	0	0	0	111.4	C22 P23 F29 H30	C22-L26 PolarHBondContact O-N 3.44Å; P23-L26 PolarHBondContact O-N 3.42Å; L26-F29 PolarHBondContact O-N 3.14Å; L26-H30 PolarHBondContact O-CD2 2.97Å; L26-H30 PolarHBondContact O-N 3.16Å
27	Q	55.5	Low	51.7	Low	127 Å²	127	111.5 Å²	111.5	59%	0.593	56%	0.558	S	S	*	*	H	α-helix	trans	-63.3	-42.3	176.6	-160.9	175.1	24	0	0	112.2	P23 L25 H30 Q31	P23-Q27 WeakPolarHBondContact O-CB 3.2Å; P23-Q27 PolarHBondContact O-N 3.23Å; L25-Q27 VanDerWaalsContact C-N 3.32Å; L25-Q27 PolarHBondContact O-N 3.3Å; Q27-H30 PolarHBondContact O-N 3.38Å; Q27-Q31 WeakPolarHBondContact O-CG 3.44Å; Q27-Q31 PolarHBondContact O-N 3.09Å; Q27-Q31 VanDerWaalsContact O-N 3.16Å
28	L	52.8	Low	51.3	Low	101 Å²	101	115 Å²	115	53%	0.529	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-39.9	174.3	-74.4	169.1	0	0	0	112.3	R24 L25 Q31 Q32	R24-L28 WeakPolarHBondContact O-CG 3.49Å; R24-L28 PolarHBondContact O-N 2.96Å; L25-L28 PolarHBondContact O-N 3.07Å; L28-Q31 PolarHBondContact O-N 3.46Å; L28-Q32 PolarHBondContact O-N 3.49Å; L28-Q32 VanDerWaalsContact O-N 3.15Å
29	F	52.3	Low	50.9	Low	88 Å²	88	116.5 Å²	116.5	39%	0.386	57%	0.569	S	S	.	*	H	α-helix	trans	-63.8	-46.2	176.9	177.9	-99.9	0	0	0	111.8	W4 L25 L26 Q31 Q32 V33	W4-F29 AromaticContact CZ3-CE2 3.91Å; W4-F29 HydrophobicContact CZ3-CE2 3.91Å; W4-F29 HydrophobicContact CZ3-CZ 4.04Å; L25-F29 PolarHBondContact O-N 3.42Å; L26-F29 PolarHBondContact O-N 3.14Å; F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 2.99Å; F29-Q32 PolarHBondContact O-N 3.49Å; F29-Q32 VanDerWaalsContact O-N 3.09Å; F29-V33 HydrophobicContact CD1-CG2 4.1Å; F29-V33 HydrophobicContact CD2-CG2 4.48Å; F29-V33 HydrophobicContact CE1-CG2 3.63Å; F29-V33 HydrophobicContact CE2-CG2 4.05Å; F29-V33 HydrophobicContact CZ-CG2 3.6Å; F29-V33 WeakPolarHBondContact O-CG2 3.4Å; F29-V33 PolarHBondContact O-N 2.98Å
30	H	59.7	Low	50.2	Low	113 Å²	113	119.8 Å²	119.8	52%	0.523	59%	0.585	S	S	.	*	H	α-helix	trans	-61.9	-40.3	178.2	-75.2	-60.5	0	0	0	112.6	L26 Q27 Q32 V33 E34	L26-H30 PolarHBondContact O-CD2 2.97Å; L26-H30 PolarHBondContact O-N 3.16Å; Q27-H30 PolarHBondContact O-N 3.38Å; H30-Q32 VanDerWaalsContact C-N 3.28Å; H30-Q32 PolarHBondContact O-N 3.46Å; H30-V33 PolarHBondContact O-N 3.28Å; H30-E34 PolarHBondContact O-N 3.24Å; H30-E34 VanDerWaalsContact O-N 3.14Å
31	Q	61.3	Low	49.4	Very low	109 Å²	109	122.5 Å²	122.5	51%	0.509	60%	0.603	S	S	.	*	H	α-helix	trans	-60	-38	172.9	-75.6	179.1	-11.9	0	0	112.4	Q27 L28 F29 L35	Q27-Q31 WeakPolarHBondContact O-CG 3.44Å; Q27-Q31 PolarHBondContact O-N 3.09Å; Q27-Q31 VanDerWaalsContact O-N 3.16Å; L28-Q31 PolarHBondContact O-N 3.46Å; F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 2.99Å; Q31-L35 PolarHBondContact O-N 3.24Å
32	Q	51.2	Low	48.6	Very low	123 Å²	123	123.8 Å²	123.8	58%	0.575	61%	0.607	S	S	*	*	H	α-helix	trans	-72.6	-35.6	177.8	-76.3	-173.1	-28.6	0	0	113.3	L28 F29 H30 L35 H36	L28-Q32 PolarHBondContact O-N 3.49Å; L28-Q32 VanDerWaalsContact O-N 3.15Å; F29-Q32 PolarHBondContact O-N 3.49Å; F29-Q32 VanDerWaalsContact O-N 3.09Å; H30-Q32 VanDerWaalsContact C-N 3.28Å; H30-Q32 PolarHBondContact O-N 3.46Å; Q32-L35 PolarHBondContact O-N 3.4Å; Q32-H36 PolarHBondContact O-N 2.96Å; Q32-H36 PolarHBondContact O-ND1 3.48Å
33	V	51.4	Low	47.6	Very low	54 Å²	54	127.3 Å²	127.3	33%	0.327	63%	0.629	S	S	.	*	H	α-helix	trans	-67	-40.4	177.7	173	0	0	0	0	111.3	F29 H30 L35 H36 G37	F29-V33 HydrophobicContact CD1-CG2 4.1Å; F29-V33 HydrophobicContact CD2-CG2 4.48Å; F29-V33 HydrophobicContact CE1-CG2 3.63Å; F29-V33 HydrophobicContact CE2-CG2 4.05Å; F29-V33 HydrophobicContact CZ-CG2 3.6Å; F29-V33 WeakPolarHBondContact O-CG2 3.4Å; F29-V33 PolarHBondContact O-N 2.98Å; H30-V33 PolarHBondContact O-N 3.28Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 PolarHBondContact O-N 3.16Å; V33-H36 PolarHBondContact O-N 3.41Å; V33-G37 PolarHBondContact O-N 3.09Å; V33-G37 VanDerWaalsContact O-N 3.15Å
34	E	53.6	Low	46.3	Very low	169 Å²	169	130.4 Å²	130.4	79%	0.79	65%	0.647	S	S	*	*	H	α-helix	trans	-62.4	-36.8	174.6	-77	-178.7	173.2	0	0	112.5	H30 H36	H30-E34 PolarHBondContact O-N 3.24Å; H30-E34 VanDerWaalsContact O-N 3.14Å; E34-H36 VanDerWaalsContact C-N 3.3Å; E34-H36 PolarHBondContact O-N 2.81Å
35	L	53.3	Low	45.7	Very low	140 Å²	140	126.6 Å²	126.6	73%	0.733	65%	0.649	S	S	*	*	H	α-helix	trans	-68	-26.2	176.8	-88.7	158.8	0	0	0	113.8	Q31 Q32 V33	Q31-L35 PolarHBondContact O-N 3.24Å; Q32-L35 PolarHBondContact O-N 3.4Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 PolarHBondContact O-N 3.16Å
36	H	48	Very low	44.9	Very low	117 Å²	117	131.9 Å²	131.9	54%	0.542	67%	0.667	S	S	.	*	H	α-helix	trans	-113.9	-0.7	-169.3	-65	84.4	0	0	0	115	Q32 V33 E34 Y38	Q32-H36 PolarHBondContact O-N 2.96Å; Q32-H36 PolarHBondContact O-ND1 3.48Å; V33-H36 PolarHBondContact O-N 3.41Å; E34-H36 VanDerWaalsContact C-N 3.3Å; E34-H36 PolarHBondContact O-N 2.81Å; H36-Y38 HydrophobicContact CB-CD2 3.89Å; H36-Y38 HydrophobicContact CB-CE2 3.31Å; H36-Y38 PolarHBondContact O-N 3.35Å
37	G	39.2	Very low	44.1	Very low	65 Å²	65	132.5 Å²	132.5	67%	0.67	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.4	40.4	161.3	0	0	0	0	0	116.6	V33	V33-G37 PolarHBondContact O-N 3.09Å; V33-G37 VanDerWaalsContact O-N 3.15Å
38	Y	36.3	Very low	43.1	Very low	173 Å²	173	131.5 Å²	131.5	68%	0.678	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-80.5	131.8	-179.5	-64.2	-75	0	0	0	113.2	H36	H36-Y38 HydrophobicContact CB-CD2 3.89Å; H36-Y38 HydrophobicContact CB-CE2 3.31Å; H36-Y38 PolarHBondContact O-N 3.35Å
39	E	40.4	Very low	42	Very low	189 Å²	189	131.9 Å²	131.9	88%	0.883	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-96.7	150.2	176.6	-78.2	-169.5	153.5	0	0	114.1
40	I	36.3	Very low	40.9	Very low	161 Å²	161	134 Å²	134	83%	0.826	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-99.4	120.2	-170.7	-59.9	171	0	0	0	111.4
41	V	32.2	Very low	39.4	Very low	117 Å²	117	135.7 Å²	135.7	71%	0.709	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-99.6	134.5	179.7	-175.2	0	0	0	0	112.1
42	R	32.7	Very low	37.9	Very low	232 Å²	232	135.2 Å²	135.2	88%	0.875	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-97.5	144.4	-174.6	-64.2	-174.9	-179.8	-145.9	0.4	113.4
43	P	36	Very low	36.8	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-102.6	154	-168	17.8	2.8	0	0	0	114.9
44	T	30.5	Very low	35.5	Very low	139 Å²	139	146.5 Å²	146.5	85%	0.853	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-101.8	154	-178.7	22.6	0	0	0	0	114.4
45	P	36.5	Very low	34.1	Very low	125 Å²	125	142 Å²	142	81%	0.812	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-95.3	148.4	-160.5	2.1	19.3	0	0	0	114.7
46	K	34	Very low	32.9	Very low	212 Å²	212	144 Å²	144	92%	0.922	83%	0.83	S	S	*	*			trans	-126.5	143.7	174.4	-78.1	-175.2	175.3	-179.9	0	112.2
47	A	33.9	Very low	31.8	Very low	109 Å²	109	146.1 Å²	146.1	90%	0.901	84%	0.844	S	S	*	*			trans	-83.4	152	-170.8	0	0	0	0	0	114.5
48	A	34.1	Very low	31.3	Very low	106 Å²	106	147 Å²	147	88%	0.876	85%	0.845	S	S	*	*			trans	-101	146.9	-171.6	0	0	0	0	0	113.1
49	A	30.1	Very low	31.1	Very low	109 Å²	109	142.4 Å²	142.4	90%	0.901	84%	0.836	S	S	*	*			trans	-135.6	134.1	166.4	0	0	0	0	0	109.6
50	C	28	Very low	30.8	Very low	131 Å²	131	136.4 Å²	136.4	89%	0.885	81%	0.81	S	S	*	*			trans	-124.5	132.9	-169.2	-154.3	0	0	0	0	108.6
51	T	28.7	Very low	30.7	Very low	150 Å²	150	132 Å²	132	92%	0.92	79%	0.794	S	S	*	*			trans	-144.7	129.3	168.8	41.6	0	0	0	0	110.9
52	A	29.9	Very low	31.1	Very low	98 Å²	98	128.5 Å²	128.5	81%	0.81	77%	0.772	S	S	*	*			trans	-93.6	143.6	178.9	0	0	0	0	0	111.5
53	K	27.9	Very low	31.6	Very low	215 Å²	215	119.7 Å²	119.7	94%	0.935	75%	0.747	S	S	*	*			trans	-145.8	147	157.6	-83.3	-163.7	178.2	178.6	0	112.3
54	Q	23.6	Very low	31.6	Very low	199 Å²	199	118 Å²	118	93%	0.93	73%	0.73	S	S	*	*			trans	-91.2	162.6	-165.6	-63.5	162.3	-36.3	0	0	113.6
55	G	24.8	Very low	32	Very low	75 Å²	75	118.8 Å²	118.8	77%	0.773	72%	0.719	S	S	*	*			trans	106.3	87.8	151.7	0	0	0	0	0	116.7
56	L	27.3	Very low	31.9	Very low	183 Å²	183	119.1 Å²	119.1	96%	0.958	71%	0.71	S	S	*	*			trans	-84.7	112	177.1	-72.7	153.9	0	0	0	111.1
57	I	25.1	Very low	31.9	Very low	161 Å²	161	117.5 Å²	117.5	83%	0.826	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-91.3	133.1	158.8	-62.9	174.3	0	0	0	106.5
58	A	29.2	Very low	31.6	Very low	84 Å²	84	115.6 Å²	115.6	69%	0.694	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.8	133.8	-176	0	0	0	0	0	111.7
59	P	32.5	Very low	31.3	Very low	76 Å²	76	121.4 Å²	121.4	49%	0.494	70%	0.695	S	S	.	*	S	Bend	trans	-71.9	137.8	-179.2	27.8	-30.7	0	0	0	110.2
60	N	33.3	Very low	31.1	Very low	62 Å²	62	121.7 Å²	121.7	33%	0.332	69%	0.691	S	S	.	*			trans	86.8	109	-179.4	-48.5	-46	0	0	0	115.7	T96 S188	N60-T96 PolarHBondContact N-OG1 3.43Å; N60-S188 WeakPolarHBondContact ND2-CB 3.43Å
61	S	35.6	Very low	31.1	Very low	70 Å²	70	119.2 Å²	119.2	49%	0.49	68%	0.68	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	127.2	171.3	61.9	0	0	0	0	110.8	T96	S61-T96 WeakPolarHBondContact OG-CG2 3.48Å
62	V	39.2	Very low	31	Very low	42 Å²	42	121.3 Å²	121.3	26%	0.255	68%	0.676	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.7	131.9	177.2	177.2	0	0	0	0	109.6	A93 L186	V62-A93 HydrophobicContact CG2-CB 4.36Å; V62-L186 HydrophobicContact CG1-CB 4.24Å; V62-L186 VanDerWaalsContact CG2-O 3.24Å; V62-L186 WeakPolarHBondContact CG2-O 3.5Å
63	S	42.9	Very low	30.7	Very low	48 Å²	48	122.2 Å²	122.2	34%	0.336	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.8	142.4	178.4	56.1	0	0	0	0	111.5	T92	S63-T92 PolarHBondContact N-O 3.5Å; S63-T92 VanDerWaalsContact N-O 3.14Å; S63-T92 PolarHBondContact O-N 2.99Å; S63-T92 VanDerWaalsContact O-O 3.09Å
64	L	37.3	Very low	30.6	Very low	83 Å²	83	120 Å²	120	44%	0.435	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.1	140.8	-177.1	-62	154.7	0	0	0	110.2	Y91 R184	L64-Y91 HydrophobicContact CD2-CD1 3.34Å; L64-Y91 HydrophobicContact CD2-CE1 3.4Å; L64-Y91 HydrophobicContact CD2-CG 4.39Å; L64-R184 WeakPolarHBondContact CD1-O 3.3Å; L64-R184 WeakPolarHBondContact CD2-O 3.5Å; L64-R184 WeakPolarHBondContact CG-O 3.36Å
65	Y	38.8	Very low	30.8	Very low	157 Å²	157	114.1 Å²	114.1	62%	0.616	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132.4	124.5	165.1	-59.6	-81.6	0	0	0	108.7
66	E	34.6	Very low	30.8	Very low	132 Å²	132	121.5 Å²	121.5	62%	0.617	67%	0.674	S	S	*	*			trans	-93.1	120.2	163	-76.6	-175.3	159.4	0	0	107.2	G68	E66-G68 PolarHBondContact O-N 3.32Å
67	E	32.3	Very low	30.8	Very low	177 Å²	177	116.2 Å²	116.2	83%	0.827	66%	0.664	S	S	*	*	S	Bend	trans	-68.4	122.8	169.9	-84.5	-167.7	153.3	0	0	109.8
68	G	28.3	Very low	30.9	Very low	69 Å²	69	115.2 Å²	115.2	71%	0.711	67%	0.665	S	S	*	*			trans	95.8	72.2	158.8	0	0	0	0	0	116.4	E66	E66-G68 PolarHBondContact O-N 3.32Å
69	R	28.2	Very low	30.8	Very low	228 Å²	228	117 Å²	117	86%	0.86	67%	0.67	S	S	*	*			trans	-154.3	91.4	137.8	-105.3	169.3	-160.4	-160.6	5.5	108.8	A71	R69-A71 PolarHBondContact O-N 2.74Å
70	S	26.3	Very low	30.5	Very low	115 Å²	115	118.5 Å²	118.5	80%	0.804	68%	0.682	S	S	*	*			trans	-61.6	92	154.3	-177	0	0	0	0	106.3	K72	S70-K72 PolarHBondContact O-N 3.25Å
71	A	27	Very low	30.3	Very low	80 Å²	80	120.8 Å²	120.8	66%	0.661	70%	0.703	S	S	*	*			trans	-68.6	88.7	170.8	0	0	0	0	0	106.8	R69 T73	R69-A71 PolarHBondContact O-N 2.74Å; A71-T73 PolarHBondContact O-N 2.84Å
72	K	27.3	Very low	30	Very low	193 Å²	193	123 Å²	123	84%	0.839	71%	0.714	S	S	*	*			trans	-60	95.6	155.2	-77.1	-174.2	177	-179.7	0	106.2	S70 N74	S70-K72 PolarHBondContact O-N 3.25Å; K72-N74 PolarHBondContact O-N 2.98Å; K72-N74 VanDerWaalsContact O-N 3.13Å
73	T	24.3	Very low	29.4	Very low	118 Å²	118	126.9 Å²	126.9	72%	0.724	73%	0.733	S	S	*	*			trans	-60.1	108.8	166.2	51.3	0	0	0	0	107.2	A71	A71-T73 PolarHBondContact O-N 2.84Å
74	N	25	Very low	28.8	Very low	168 Å²	168	135.1 Å²	135.1	90%	0.898	76%	0.758	S	S	*	*			trans	-172.2	123.4	150.2	-91.5	-15.8	0	0	0	108.9	K72	K72-N74 PolarHBondContact O-N 2.98Å; K72-N74 VanDerWaalsContact O-N 3.13Å
75	G	27.7	Very low	28.6	Very low	76 Å²	76	141.3 Å²	141.3	78%	0.784	78%	0.776	S	S	*	*			trans	111.7	104.6	163.1	0	0	0	0	0	114.6	G77	G75-G77 PolarHBondContact O-N 3.07Å
76	F	25.7	Very low	28.8	Very low	229 Å²	229	137.9 Å²	137.9	100%	1.004	78%	0.775	S	S	*	*			trans	-50.3	122.8	167.9	-75.8	-102.8	0	0	0	111.6
77	G	25.5	Very low	29.4	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	77%	0.766	S	S	*	*			trans	-160.9	123.1	173.8	0	0	0	0	0	110.5	G75	G75-G77 PolarHBondContact O-N 3.07Å
78	V	27.3	Very low	30.4	Very low	140 Å²	140	129.5 Å²	129.5	85%	0.848	75%	0.745	S	S	*	*			trans	-56.5	137.8	-174.7	179.7	0	0	0	0	111.3	S80	V78-S80 PolarHBondContact O-N 2.8Å; V78-S80 VanDerWaalsContact O-N 3.11Å
79	P	27.9	Very low	31.8	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	72%	0.721	S	S	*	*			trans	-76.3	105.1	-168.9	28.3	-29.7	0	0	0	111.2
80	S	26.6	Very low	33.1	Very low	107 Å²	107	119.7 Å²	119.7	75%	0.748	69%	0.689	S	S	*	*			trans	-73.3	144.2	161.4	49.5	0	0	0	0	109.9	V78 V82	V78-S80 PolarHBondContact O-N 2.8Å; V78-S80 VanDerWaalsContact O-N 3.11Å; S80-V82 PolarHBondContact O-N 3.44Å
81	S	29.2	Very low	34.6	Very low	111 Å²	111	114.3 Å²	114.3	78%	0.776	65%	0.651	S	S	*	*			trans	-32.5	116.6	-174.8	56.8	0	0	0	0	114.3	D83	S81-D83 PolarHBondContact O-N 2.95Å
82	V	29.5	Very low	35.7	Very low	117 Å²	117	111.1 Å²	111.1	71%	0.709	62%	0.623	S	S	*	*			trans	-67.4	101.7	174.1	-177.6	0	0	0	0	108.2	S80 Y84	S80-V82 PolarHBondContact O-N 3.44Å; V82-Y84 PolarHBondContact O-N 3.43Å; V82-Y84 VanDerWaalsContact O-N 3.09Å
83	D	26.7	Very low	36.7	Very low	123 Å²	123	102.3 Å²	102.3	66%	0.658	59%	0.586	S	S	*	*			trans	-54.2	113.2	166.7	-99.7	-23.2	0	0	0	108.7	S81 R85	S81-D83 PolarHBondContact O-N 2.95Å; D83-R85 PolarHBondContact O-N 3.27Å
84	Y	28.8	Very low	37.5	Very low	220 Å²	220	98.6 Å²	98.6	86%	0.863	57%	0.567	S	S	*	*			trans	-72.7	59.3	175.8	-119.3	-91	0	0	0	109.7	V82 S86	V82-Y84 PolarHBondContact O-N 3.43Å; V82-Y84 VanDerWaalsContact O-N 3.09Å; Y84-S86 PolarHBondContact O-N 3.39Å
85	R	33.6	Very low	38.3	Very low	213 Å²	213	92.2 Å²	92.2	80%	0.804	54%	0.536	S	S	*	.			trans	-83.3	115.9	171.5	-76.4	-172.4	-179.1	-173.7	1	108.8	D83 S87	D83-R85 PolarHBondContact O-N 3.27Å; R85-S87 PolarHBondContact O-N 2.88Å
86	S	42.3	Very low	38.8	Very low	86 Å²	86	92 Å²	92	60%	0.601	52%	0.519	S	S	*	.			trans	-30	104.5	-179.4	54.9	0	0	0	0	114.7	Y84	Y84-S86 PolarHBondContact O-N 3.39Å
87	S	47.9	Very low	39.3	Very low	62 Å²	62	85.6 Å²	85.6	43%	0.434	50%	0.496	S	S	.	.			trans	-88.1	129	163.8	56.4	0	0	0	0	109.4	R85 R89	R85-S87 PolarHBondContact O-N 2.88Å; S87-R89 PolarHBondContact O-N 3.31Å
88	N	53.6	Low	39.6	Very low	70 Å²	70	84 Å²	84	37%	0.374	48%	0.479	S	S	.	.			trans	-60.5	131.6	167.3	-74	5.9	0	0	0	108.2	E174 R176	N88-E174 PolarHBondContact ND2-OE1 2.85Å; N88-R176 PolarHBondContact OD1-O 3.27Å
89	R	57.9	Low	39.6	Very low	56 Å²	56	84.5 Å²	84.5	21%	0.211	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.1	177.3	-70	-171.9	175.7	174.6	5.1	109.9	S87 Y91 F175 I182	S87-R89 PolarHBondContact O-N 3.31Å; R89-Y91 HydrophobicContact CB-CE2 3.73Å; R89-Y91 VanDerWaalsContact CD-OH 3.32Å; R89-Y91 WeakPolarHBondContact CD-OH 3.29Å; R89-F175 PolarHBondContact O-N 3.39Å; R89-I182 PolarHBondContact NH1-O 3.14Å; R89-I182 VanDerWaalsContact NH1-O 3.13Å
90	I	56.2	Low	39.7	Very low	36 Å²	36	81.2 Å²	81.2	19%	0.185	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.1	179.8	-61.6	176.8	0	0	0	108.3	L172 E174	I90-L172 HydrophobicContact CG2-CD1 3.2Å; I90-L172 HydrophobicContact CG2-CD2 4.27Å; I90-L172 HydrophobicContact CG2-CG 3.79Å; I90-E174 HydrophobicContact CG1-CB 4.48Å; I90-E174 HydrophobicContact CG1-CG 4.18Å
91	Y	57.8	Low	39.7	Very low	2 Å²	2	81.9 Å²	81.9	1%	0.008	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.6	177.6	-61	-91.2	0	0	0	109.7	L64 R89 L172 V173 F175 I182 P183 L186	L64-Y91 HydrophobicContact CD2-CD1 3.34Å; L64-Y91 HydrophobicContact CD2-CE1 3.4Å; L64-Y91 HydrophobicContact CD2-CG 4.39Å; R89-Y91 HydrophobicContact CB-CE2 3.73Å; R89-Y91 VanDerWaalsContact CD-OH 3.32Å; R89-Y91 WeakPolarHBondContact CD-OH 3.29Å; Y91-L172 WeakPolarHBondContact O-CA 3.34Å; Y91-V173 PolarHBondContact N-O 2.73Å; Y91-V173 PolarHBondContact O-N 2.8Å; Y91-F175 AromaticContact CD2-CD2 3.96Å; Y91-F175 HydrophobicContact CD2-CD2 3.96Å; Y91-F175 AromaticContact CD2-CE2 3.98Å; Y91-F175 HydrophobicContact CD2-CE2 3.98Å; Y91-F175 AromaticContact CE2-CD2 3.72Å; Y91-F175 HydrophobicContact CE2-CD2 3.72Å; Y91-F175 AromaticContact CE2-CE2 3.96Å; Y91-F175 HydrophobicContact CE2-CE2 3.96Å; Y91-I182 HydrophobicContact CE1-CG2 4.48Å; Y91-I182 HydrophobicContact CE2-CG2 4.04Å; Y91-I182 WeakPolarHBondContact OH-CG2 3.36Å; Y91-P183 PolarHBondContact OH-O 3.43Å; Y91-L186 HydrophobicContact CD1-CD1 3.55Å; Y91-L186 HydrophobicContact CD1-CG 4.12Å; Y91-L186 HydrophobicContact CD2-CD1 4.37Å; Y91-L186 HydrophobicContact CE1-CD1 4.34Å; Y91-L186 HydrophobicContact CG-CD1 3.58Å
92	T	49.2	Very low	39.4	Very low	13 Å²	13	81 Å²	81	8%	0.08	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.6	173.3	-55.9	0	0	0	0	109.3	S63 K170 F171	S63-T92 PolarHBondContact N-O 3.5Å; S63-T92 VanDerWaalsContact N-O 3.14Å; S63-T92 PolarHBondContact O-N 2.99Å; S63-T92 VanDerWaalsContact O-O 3.09Å; T92-K170 HydrophobicContact CG2-CD 4.23Å; T92-K170 HydrophobicContact CG2-CG 3.98Å; T92-F171 WeakPolarHBondContact CA-O 3.37Å
93	A	47.5	Very low	39.1	Very low	7 Å²	7	79.3 Å²	79.3	6%	0.058	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137	169.5	0	0	0	0	0	110.3	V62 K170 F171 M191	V62-A93 HydrophobicContact CG2-CB 4.36Å; A93-K170 WeakPolarHBondContact O-CA 3.4Å; A93-F171 PolarHBondContact N-O 2.85Å; A93-F171 PolarHBondContact O-N 3.18Å; A93-M191 HydrophobicContact CB-CE 3.52Å; A93-M191 HydrophobicContact CB-CG 3.72Å; A93-M191 HydrophobicContact CB-SD 3.52Å; A93-M191 VanDerWaalsContact CB-SD 3.52Å
94	A	42.2	Very low	39	Very low	41 Å²	41	81.1 Å²	81.1	34%	0.339	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.4	168.5	0	0	0	0	0	108.3	T96 F169	A94-T96 PolarHBondContact O-N 2.93Å; A94-F169 WeakPolarHBondContact CA-O 3.08Å
95	S	40.5	Very low	38.8	Very low	33 Å²	33	76.5 Å²	76.5	23%	0.231	44%	0.437	C	S	.	.			trans	-68.5	122.6	168	179.6	0	0	0	0	108.7	D97 F169	S95-D97 VanDerWaalsContact C-N 3.29Å; S95-F169 PolarHBondContact N-O 2.76Å
96	T	39.4	Very low	38.5	Very low	72 Å²	72	71.4 Å²	71.4	44%	0.442	43%	0.433	S	S	.	.	S	Bend	trans	-74.6	-21.6	179.7	49.5	0	0	0	0	112.7	N60 S61 A94	N60-T96 PolarHBondContact N-OG1 3.43Å; S61-T96 WeakPolarHBondContact OG-CG2 3.48Å; A94-T96 PolarHBondContact O-N 2.93Å
97	D	35.4	Very low	37.7	Very low	95 Å²	95	71.6 Å²	71.6	51%	0.508	44%	0.44	S	S	.	.	S	Bend	trans	-100.9	-4.5	-165.6	-81.4	21.8	0	0	0	114.2	S95 R99	S95-D97 VanDerWaalsContact C-N 3.29Å; D97-R99 WeakPolarHBondContact O-CG 3.28Å; D97-R99 PolarHBondContact O-N 3.42Å
98	G	31.9	Very low	36.7	Very low	37 Å²	37	76.4 Å²	76.4	38%	0.381	46%	0.461	S	S	.	.			trans	55.9	9	178.5	0	0	0	0	0	114.4	F169	G98-F169 WeakPolarHBondContact O-CE1 3.35Å
99	R	28.6	Very low	35.6	Very low	152 Å²	152	83.2 Å²	83.2	57%	0.574	49%	0.487	S	S	*	.			trans	-108.3	67.7	-173.3	-77.1	177.2	-176.9	-169.6	0.5	109	D97 N101	D97-R99 WeakPolarHBondContact O-CG 3.28Å; D97-R99 PolarHBondContact O-N 3.42Å; R99-N101 VanDerWaalsContact C-N 3.3Å
100	L	29.2	Very low	34.1	Very low	52 Å²	52	85.5 Å²	85.5	27%	0.272	51%	0.512	S	S	.	.			trans	-95.4	7.3	152.7	-76.4	169.5	0	0	0	111.4	D168 F169	L100-D168 WeakPolarHBondContact CD1-O 3.03Å; L100-F169 HydrophobicContact CD1-CD1 4.45Å
101	N	25.4	Very low	32.7	Very low	121 Å²	121	91.7 Å²	91.7	65%	0.647	54%	0.54	S	S	*	.	S	Bend	trans	-96.1	117.5	164.7	-71.9	-24.8	0	0	0	107.6	R99 S103	R99-N101 VanDerWaalsContact C-N 3.3Å; N101-S103 PolarHBondContact O-N 2.9Å
102	G	24.2	Very low	31.2	Very low	93 Å²	93	96.3 Å²	96.3	96%	0.959	58%	0.578	S	S	*	*			trans	-56	86.9	164	0	0	0	0	0	110
103	S	23.4	Very low	29.9	Very low	82 Å²	82	103.2 Å²	103.2	57%	0.573	61%	0.609	S	S	*	*			trans	-148.5	85.7	166.7	-164.5	0	0	0	0	107.3	N101 L105	N101-S103 PolarHBondContact O-N 2.9Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.46Å
104	L	24.6	Very low	28.8	Very low	161 Å²	161	110.7 Å²	110.7	84%	0.843	65%	0.648	S	S	*	*			trans	-67.5	93.6	167.8	-111.6	144	0	0	0	107.6	S106	L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 2.99Å
105	L	24.7	Very low	27.7	Very low	123 Å²	123	119.6 Å²	119.6	64%	0.644	67%	0.672	S	S	*	*			trans	-61.7	102.9	158.2	-80.6	169.4	0	0	0	107.7	S103 A107	S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.46Å; L105-A107 PolarHBondContact O-N 3.29Å
106	S	26.7	Very low	26.8	Very low	105 Å²	105	124.5 Å²	124.5	73%	0.734	70%	0.701	S	S	*	*			trans	10.5	107.4	155.8	63.8	0	0	0	0	116	L104	L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 2.99Å
107	A	26.5	Very low	26.1	Very low	91 Å²	91	126.4 Å²	126.4	75%	0.752	72%	0.717	S	S	*	*			trans	-140.2	106.2	151.8	0	0	0	0	0	108.8	L105 K109	L105-A107 PolarHBondContact O-N 3.29Å; A107-K109 PolarHBondContact O-N 3.38Å
108	N	26.6	Very low	25.5	Very low	163 Å²	163	126.1 Å²	126.1	87%	0.872	73%	0.728	S	S	*	*			trans	-44	125.7	175.8	-65.2	-39.7	0	0	0	112.5
109	K	29.9	Very low	25	Very low	212 Å²	212	132.2 Å²	132.2	92%	0.922	75%	0.751	S	S	*	*			trans	-132.9	113.3	146	-79.8	-168	178.4	176.6	0	110	A107	A107-K109 PolarHBondContact O-N 3.38Å
110	S	26.1	Very low	24.8	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	76%	0.756	S	S	*	*			trans	-73.5	143	178.2	47.9	0	0	0	0	112.6
111	H	27.3	Very low	24.7	Very low	167 Å²	167	132.9 Å²	132.9	77%	0.773	78%	0.783	S	S	*	*			trans	54.4	116.3	144.1	-83.1	-97.7	0	0	0	119.7
112	A	26.2	Very low	24.6	Very low	98 Å²	98	137.7 Å²	137.7	81%	0.81	80%	0.799	S	S	*	*				-150.1	113.8	123.7	0	0	0	0	0	108.8
113	E	22.8	Very low	24.6	Very low	158 Å²	158	137 Å²	137	74%	0.738	79%	0.792	S	S	*	*			trans	-62.7	136.6	172	-62.1	170.8	140.8	0	0	109.9
114	L	23.5	Very low	24.6	Very low	164 Å²	164	141.6 Å²	141.6	86%	0.859	80%	0.804	S	S	*	*			trans	-140.2	103.2	156.5	-109.2	145.4	0	0	0	109	V116	L114-V116 PolarHBondContact O-N 2.64Å
115	R	20	Very low	24.6	Very low	228 Å²	228	141.8 Å²	141.8	86%	0.86	80%	0.801	S	S	*	*			trans	-58.6	120.7	171.3	-71.5	171.1	160.5	146.6	-4.5	109.2
116	V	21.6	Very low	24.7	Very low	137 Å²	137	144.9 Å²	144.9	83%	0.83	81%	0.812	S	S	*	*			trans	-119.4	95.4	155.5	-176	0	0	0	0	107.1	L114 A118	L114-V116 PolarHBondContact O-N 2.64Å; V116-A118 PolarHBondContact O-N 2.85Å
117	S	23.1	Very low	24.6	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	82%	0.818	S	S	*	*			trans	-62.5	119.1	168.1	31.5	0	0	0	0	109.5
118	A	22.7	Very low	24.6	Very low	89 Å²	89	150.7 Å²	150.7	74%	0.736	82%	0.822	S	S	*	*			trans	-54.3	146	162	0	0	0	0	0	110.8	V116	V116-A118 PolarHBondContact O-N 2.85Å
119	L	22.4	Very low	24.6	Very low	165 Å²	165	151 Å²	151	86%	0.864	82%	0.823	S	S	*	*			trans	-164.1	110	142.1	-99.9	161.9	0	0	0	109.8
120	S	23.6	Very low	24.5	Very low	98 Å²	98	148.9 Å²	148.9	69%	0.685	81%	0.814	S	S	*	*			trans	-2.7	135	150.1	56.2	0	0	0	0	119.5
121	S	27.3	Very low	24.7	Very low	121 Å²	121	151.5 Å²	151.5	85%	0.846	82%	0.819	S	S	*	*			trans	-162.1	128.8	131	36.8	0	0	0	0	112
122	F	23.3	Very low	24.8	Very low	221 Å²	221	150.4 Å²	150.4	97%	0.969	82%	0.819	S	S	*	*			trans	-41.5	145.7	172	-85.8	-111.8	0	0	0	115.1
123	G	25.2	Very low	25.1	Very low	79 Å²	79	151.8 Å²	151.8	81%	0.814	81%	0.813	S	S	*	*			trans	-174	118.2	165.6	0	0	0	0	0	110.8
124	Q	23.2	Very low	25.6	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	81%	0.806	S	S	*	*			trans	-69.9	154.6	-170.4	-75.3	163.6	-60.3	0	0	114.6
125	E	23.9	Very low	26.2	Very low	165 Å²	165	147 Å²	147	77%	0.771	80%	0.797	S	S	*	*			trans	30.4	120.9	143.5	-66.3	176.8	155.3	0	0	119
126	H	26.7	Very low	27	Very low	188 Å²	188	146 Å²	146	87%	0.87	80%	0.799	S	S	*	*				-169	120.8	119.9	-96.4	-70.5	0	0	0	109.4	E128	H126-E128 PolarHBondContact O-N 2.89Å
127	T	24.5	Very low	28.1	Very low	143 Å²	143	142.9 Å²	142.9	88%	0.877	78%	0.778	S	S	*	*			trans	-70.6	107.3	169.4	41.2	0	0	0	0	110.2
128	E	26.2	Very low	29.5	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	77%	0.765	S	S	*	*			trans	-133.2	125.1	153.4	-81.2	-170.5	159.5	0	0	108.2	H126 K130	H126-E128 PolarHBondContact O-N 2.89Å; E128-K130 PolarHBondContact O-N 2.85Å
129	N	28.1	Very low	31.3	Very low	169 Å²	169	142.6 Å²	142.6	90%	0.904	76%	0.76	S	S	*	*			trans	-49.1	96.7	-178.3	-71.6	-39	0	0	0	111.2	L131	N129-L131 PolarHBondContact O-N 3.28Å
130	K	27.7	Very low	33.3	Very low	167 Å²	167	137.9 Å²	137.9	73%	0.726	74%	0.741	S	S	*	*			trans	-72.7	76.5	167.3	-80	-174.2	176.4	-179.6	0	109.2	E128 N132	E128-K130 PolarHBondContact O-N 2.85Å; K130-N132 PolarHBondContact O-N 3.21Å
131	L	30.5	Very low	35.4	Very low	160 Å²	160	134 Å²	134	84%	0.838	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	62.8	154.6	-170	79.8	0	0	0	108.1	N129	N129-L131 PolarHBondContact O-N 3.28Å
132	N	27.9	Very low	37.4	Very low	143 Å²	143	131.8 Å²	131.8	77%	0.765	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156	9.6	178.1	-90	-33.6	0	0	0	114.8	K130 I134	K130-N132 PolarHBondContact O-N 3.21Å; N132-I134 VanDerWaalsContact C-N 3.29Å; N132-I134 PolarHBondContact O-N 2.99Å
133	D	33.7	Very low	39.7	Very low	128 Å²	128	124 Å²	124	68%	0.684	67%	0.667	S	S	*	*			trans	-97.2	47.8	172.6	-67.5	-28.6	0	0	0	111	P135	D133-P135 VanDerWaalsContact O-CD 3.28Å; D133-P135 WeakPolarHBondContact O-CD 3.44Å
134	I	32.5	Very low	42	Very low	116 Å²	116	123.2 Å²	123.2	60%	0.595	65%	0.647	S	S	*	*			trans	-69.4	117.1	156.7	-57.7	172.6	0	0	0	104.5	N132 K136	N132-I134 VanDerWaalsContact C-N 3.29Å; N132-I134 PolarHBondContact O-N 2.99Å; I134-K136 PolarHBondContact O-N 2.8Å
135	P	36	Very low	44.5	Very low	104 Å²	104	117.7 Å²	117.7	68%	0.675	62%	0.619	S	S	*	*			trans	-54.2	113.3	175.4	-22.3	33.1	0	0	0	108	D133 L137	D133-P135 VanDerWaalsContact O-CD 3.28Å; D133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-L137 PolarHBondContact O-N 3.3Å
136	K	37.3	Very low	47.2	Very low	207 Å²	207	115.7 Å²	115.7	90%	0.9	61%	0.608	S	S	*	*			trans	-63.7	113.7	175.2	-76.5	-175	178.5	177.9	0	106.6	I134	I134-K136 PolarHBondContact O-N 2.8Å
137	L	43.8	Very low	49.7	Very low	73 Å²	73	112.4 Å²	112.4	38%	0.382	59%	0.591	S	S	.	*			trans	-47.7	150.8	176.2	-120.8	80.9	0	0	0	110.3	P135 P139 E142 F220	P135-L137 PolarHBondContact O-N 3.3Å; L137-P139 WeakPolarHBondContact O-CD 3.41Å; L137-P139 VanDerWaalsContact O-N 3.1Å; L137-E142 HydrophobicContact CD2-CB 3.64Å; L137-E142 HydrophobicContact CD2-CG 3.96Å; L137-F220 HydrophobicContact CD2-CD2 4.16Å; L137-F220 HydrophobicContact CD2-CE2 4.43Å; L137-F220 HydrophobicContact CD2-CG 4.35Å
138	D	53.2	Low	52.4	Low	96 Å²	96	105.7 Å²	105.7	51%	0.513	55%	0.549	S	S	.	.			trans	-57.4	116.7	159.1	179.5	-3.9	0	0	0	107.7	S140 A141 E142	D138-S140 PolarHBondContact O-N 3.37Å; D138-S140 VanDerWaalsContact OD1-CB 3.26Å; D138-S140 WeakPolarHBondContact OD1-CB 3.35Å; D138-S140 PolarHBondContact OD1-N 2.73Å; D138-S140 PolarHBondContact OD1-OG 2.78Å; D138-S140 VanDerWaalsContact OD1-OG 3.12Å; D138-S140 PolarHBondContact OD2-OG 3.05Å; D138-A141 HydrophobicContact CB-CB 4.45Å; D138-A141 PolarHBondContact O-N 3.14Å; D138-A141 VanDerWaalsContact O-N 3.09Å; D138-E142 PolarHBondContact O-N 3.41Å
139	P	59.8	Low	55	Low	97 Å²	97	100 Å²	100	63%	0.63	52%	0.523	S	S	*	.	H	α-helix	trans	-55.4	-25.2	179.5	-24.3	34.4	0	0	0	112.6	L137 A143	L137-P139 WeakPolarHBondContact O-CD 3.41Å; L137-P139 VanDerWaalsContact O-N 3.1Å; P139-A143 VanDerWaalsContact O-CB 3.29Å; P139-A143 WeakPolarHBondContact O-CB 3.4Å; P139-A143 PolarHBondContact O-N 2.84Å
140	S	65.6	Low	57.6	Low	66 Å²	66	98.9 Å²	98.9	46%	0.462	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-47.6	178.3	89.9	0	0	0	0	111.8	D138 A143 V144	D138-S140 PolarHBondContact O-N 3.37Å; D138-S140 VanDerWaalsContact OD1-CB 3.26Å; D138-S140 WeakPolarHBondContact OD1-CB 3.35Å; D138-S140 PolarHBondContact OD1-N 2.73Å; D138-S140 PolarHBondContact OD1-OG 2.78Å; D138-S140 VanDerWaalsContact OD1-OG 3.12Å; D138-S140 PolarHBondContact OD2-OG 3.05Å; S140-A143 PolarHBondContact O-N 3.15Å; S140-V144 WeakPolarHBondContact O-CG2 3.36Å; S140-V144 PolarHBondContact O-N 3.31Å
141	A	67	Low	59.9	Low	16 Å²	16	92.1 Å²	92.1	13%	0.132	48%	0.484	C	S	.	.	H	α-helix	trans	-68.8	-39.8	-179.5	0	0	0	0	0	111.3	D138 A143 V144 Y145 F220	D138-A141 HydrophobicContact CB-CB 4.45Å; D138-A141 PolarHBondContact O-N 3.14Å; D138-A141 VanDerWaalsContact O-N 3.09Å; A141-A143 VanDerWaalsContact C-N 3.32Å; A141-A143 PolarHBondContact O-N 3.18Å; A141-V144 PolarHBondContact O-N 3.34Å; A141-Y145 PolarHBondContact O-N 2.96Å; A141-F220 HydrophobicContact CB-CB 3.95Å
142	E	69.1	Low	62.2	Low	76 Å²	76	84.5 Å²	84.5	36%	0.355	44%	0.444	S	S	.	.	H	α-helix	trans	-61.4	-41.4	174.4	-160	-174.5	162.3	0	0	111.4	L137 D138 Y145 K146	L137-E142 HydrophobicContact CD2-CB 3.64Å; L137-E142 HydrophobicContact CD2-CG 3.96Å; D138-E142 PolarHBondContact O-N 3.41Å; E142-Y145 PolarHBondContact O-N 3.48Å; E142-K146 VanDerWaalsContact CD-NZ 3.33Å; E142-K146 HydrophobicContact CG-CD 4.33Å; E142-K146 WeakPolarHBondContact O-CB 3.07Å; E142-K146 VanDerWaalsContact O-CG 3.29Å; E142-K146 WeakPolarHBondContact O-CG 3.42Å; E142-K146 PolarHBondContact O-N 3.17Å; E142-K146 WeakPolarHBondContact OE1-CE 3.4Å; E142-K146 IonicContact OE1-NZ 3.98Å; E142-K146 PolarHBondContact OE1-NZ 3.06Å; E142-K146 IonicContact OE2-NZ 3.36Å
143	A	73	Confident	64.6	Low	56 Å²	56	77.9 Å²	77.9	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.1	0	0	0	0	0	112.1	P139 S140 A141 K146 K147	P139-A143 VanDerWaalsContact O-CB 3.29Å; P139-A143 WeakPolarHBondContact O-CB 3.4Å; P139-A143 PolarHBondContact O-N 2.84Å; S140-A143 PolarHBondContact O-N 3.15Å; A141-A143 VanDerWaalsContact C-N 3.32Å; A141-A143 PolarHBondContact O-N 3.18Å; A143-K146 PolarHBondContact O-N 3.44Å; A143-K147 WeakPolarHBondContact O-CB 3.24Å; A143-K147 PolarHBondContact O-N 3.36Å
144	V	71.8	Confident	66.7	Low	64 Å²	64	75.8 Å²	75.8	39%	0.388	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-47.2	174.9	172.6	0	0	0	0	110.7	S140 A141 K147 F148 N189	S140-V144 WeakPolarHBondContact O-CG2 3.36Å; S140-V144 PolarHBondContact O-N 3.31Å; A141-V144 PolarHBondContact O-N 3.34Å; V144-K147 PolarHBondContact O-N 2.84Å; V144-F148 WeakPolarHBondContact O-CB 2.84Å; V144-F148 PolarHBondContact O-N 3.07Å; V144-N189 HydrophobicContact CG1-CB 4.23Å
145	Y	76.1	Confident	68.7	Low	62 Å²	62	70.9 Å²	70.9	24%	0.243	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-42.8	177.8	-179.6	-103.4	0	0	0	112.5	A141 E142 K147 F148 M149 F220	A141-Y145 PolarHBondContact O-N 2.96Å; E142-Y145 PolarHBondContact O-N 3.48Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 3.35Å; Y145-F148 WeakPolarHBondContact O-CB 3.42Å; Y145-F148 PolarHBondContact O-N 2.99Å; Y145-M149 HydrophobicContact CD1-CG 4.26Å; Y145-M149 HydrophobicContact CD2-CG 4.48Å; Y145-M149 HydrophobicContact CE1-CG 3.75Å; Y145-M149 HydrophobicContact CE2-CG 4Å; Y145-M149 HydrophobicContact CE2-SD 4.4Å; Y145-M149 PolarHBondContact O-N 3.14Å; Y145-F220 HydrophobicContact CD1-CE1 4.29Å; Y145-F220 HydrophobicContact CD1-CZ 4.45Å; Y145-F220 AromaticContact CD2-CE1 3.76Å; Y145-F220 HydrophobicContact CD2-CE1 3.76Å; Y145-F220 HydrophobicContact CD2-CZ 4.35Å; Y145-F220 HydrophobicContact CE2-CE1 4.46Å; Y145-F220 AromaticContact CG-CE1 3.65Å; Y145-F220 HydrophobicContact CG-CE1 3.65Å; Y145-F220 HydrophobicContact CG-CZ 4.22Å
146	K	80	Confident	70.8	Confident	123 Å²	123	66.9 Å²	66.9	54%	0.535	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-43.4	174.5	-78.9	174.6	-180	166.5	0	111.6	E142 A143 M149 H150	E142-K146 VanDerWaalsContact CD-NZ 3.33Å; E142-K146 HydrophobicContact CG-CD 4.33Å; E142-K146 WeakPolarHBondContact O-CB 3.07Å; E142-K146 VanDerWaalsContact O-CG 3.29Å; E142-K146 WeakPolarHBondContact O-CG 3.42Å; E142-K146 PolarHBondContact O-N 3.17Å; E142-K146 WeakPolarHBondContact OE1-CE 3.4Å; E142-K146 IonicContact OE1-NZ 3.98Å; E142-K146 PolarHBondContact OE1-NZ 3.06Å; E142-K146 IonicContact OE2-NZ 3.36Å; A143-K146 PolarHBondContact O-N 3.44Å; K146-M149 PolarHBondContact O-N 2.91Å; K146-H150 WeakPolarHBondContact O-CB 3.43Å; K146-H150 PolarHBondContact O-N 3.18Å
147	K	79.4	Confident	72.5	Confident	118 Å²	118	63.9 Å²	63.9	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-44.1	174.9	-174.9	-176.2	178.5	-60.6	0	111.3	A143 V144 Y145 H150 D151	A143-K147 WeakPolarHBondContact O-CB 3.24Å; A143-K147 PolarHBondContact O-N 3.36Å; V144-K147 PolarHBondContact O-N 2.84Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 3.35Å; K147-H150 WeakPolarHBondContact O-CB 3.41Å; K147-H150 PolarHBondContact O-N 3.38Å; K147-D151 IonicContact NZ-OD2 3.7Å; K147-D151 PolarHBondContact NZ-OD2 2.82Å; K147-D151 WeakPolarHBondContact O-CB 3.37Å; K147-D151 VanDerWaalsContact O-CG 3.27Å; K147-D151 PolarHBondContact O-N 3.22Å
148	F	81.5	Confident	73.9	Confident	3 Å²	3	63 Å²	63	1%	0.013	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-50.1	175.4	172.4	-98.2	0	0	0	111.5	V144 Y145 H150 D151 F152 L156 S190 Q193 L194 K197	V144-F148 WeakPolarHBondContact O-CB 2.84Å; V144-F148 PolarHBondContact O-N 3.07Å; Y145-F148 WeakPolarHBondContact O-CB 3.42Å; Y145-F148 PolarHBondContact O-N 2.99Å; F148-H150 VanDerWaalsContact C-N 3.31Å; F148-H150 PolarHBondContact O-N 3.25Å; F148-D151 PolarHBondContact O-N 2.69Å; F148-D151 VanDerWaalsContact O-N 3.17Å; F148-F152 AromaticContact CD2-CD2 3.49Å; F148-F152 HydrophobicContact CD2-CD2 3.49Å; F148-F152 VanDerWaalsContact CD2-CD2 3.49Å; F148-F152 HydrophobicContact CD2-CE2 4.03Å; F148-F152 HydrophobicContact CD2-CG 4.22Å; F148-F152 HydrophobicContact CE2-CB 4.13Å; F148-F152 AromaticContact CE2-CD2 3.55Å; F148-F152 HydrophobicContact CE2-CD2 3.55Å; F148-F152 HydrophobicContact CE2-CE2 4.17Å; F148-F152 AromaticContact CE2-CG 3.84Å; F148-F152 HydrophobicContact CE2-CG 3.84Å; F148-F152 HydrophobicContact CG-CD2 4.3Å; F148-F152 HydrophobicContact CZ-CB 4.17Å; F148-F152 HydrophobicContact CZ-CD2 4.41Å; F148-F152 HydrophobicContact CZ-CG 4.35Å; F148-F152 WeakPolarHBondContact O-CB 3.21Å; F148-F152 WeakPolarHBondContact O-CD2 3.44Å; F148-F152 PolarHBondContact O-N 3.39Å; F148-L156 HydrophobicContact CE1-CD1 3.93Å; F148-L156 HydrophobicContact CZ-CD1 3.97Å; F148-S190 WeakPolarHBondContact CE2-O 3.44Å; F148-Q193 HydrophobicContact CD1-CB 3.86Å; F148-Q193 HydrophobicContact CD1-CG 4.43Å; F148-Q193 HydrophobicContact CD2-CB 3.86Å; F148-Q193 HydrophobicContact CE1-CB 3.69Å; F148-Q193 HydrophobicContact CE2-CB 3.69Å; F148-Q193 HydrophobicContact CG-CB 3.94Å; F148-Q193 HydrophobicContact CG-CG 4.35Å; F148-Q193 HydrophobicContact CZ-CB 3.59Å; F148-L194 HydrophobicContact CE2-CD2 4.16Å; F148-L194 HydrophobicContact CE2-CG 3.91Å; F148-L194 HydrophobicContact CZ-CD2 3.94Å; F148-L194 HydrophobicContact CZ-CG 4.03Å; F148-K197 HydrophobicContact CE1-CG 4.41Å
149	M	82.1	Confident	74.6	Confident	56 Å²	56	60.5 Å²	60.5	28%	0.276	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-31.7	178.7	-73.1	-58.3	-65.1	0	0	113	Y145 K146 G153	Y145-M149 HydrophobicContact CD1-CG 4.26Å; Y145-M149 HydrophobicContact CD2-CG 4.48Å; Y145-M149 HydrophobicContact CE1-CG 3.75Å; Y145-M149 HydrophobicContact CE2-CG 4Å; Y145-M149 HydrophobicContact CE2-SD 4.4Å; Y145-M149 PolarHBondContact O-N 3.14Å; K146-M149 PolarHBondContact O-N 2.91Å; M149-G153 WeakPolarHBondContact O-CA 3.32Å; M149-G153 PolarHBondContact O-N 3.3Å
150	H	81.3	Confident	75.4	Confident	145 Å²	145	60.8 Å²	60.8	67%	0.671	34%	0.344	S	S	*	.	H	α-helix	trans	-63.3	-45	171.1	171.5	-85.8	0	0	0	111.8	K146 K147 F148	K146-H150 WeakPolarHBondContact O-CB 3.43Å; K146-H150 PolarHBondContact O-N 3.18Å; K147-H150 WeakPolarHBondContact O-CB 3.41Å; K147-H150 PolarHBondContact O-N 3.38Å; F148-H150 VanDerWaalsContact C-N 3.31Å; F148-H150 PolarHBondContact O-N 3.25Å
151	D	76.4	Confident	76	Confident	25 Å²	25	58.2 Å²	58.2	13%	0.134	33%	0.325	C	S	.	.	H	α-helix	trans	-77.7	-37.5	-174.1	-66.9	-11.8	0	0	0	112.4	K147 F148 P183	K147-D151 IonicContact NZ-OD2 3.7Å; K147-D151 PolarHBondContact NZ-OD2 2.82Å; K147-D151 WeakPolarHBondContact O-CB 3.37Å; K147-D151 VanDerWaalsContact O-CG 3.27Å; K147-D151 PolarHBondContact O-N 3.22Å; F148-D151 PolarHBondContact O-N 2.69Å; F148-D151 VanDerWaalsContact O-N 3.17Å; D151-P183 HydrophobicContact CB-CG 4.11Å
152	F	79.5	Confident	76.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-111.9	-22.1	-172.2	-65.7	-87.2	0	0	0	114.3	F148 A155 L156 F175 I182 P183 L186 L194	F148-F152 AromaticContact CD2-CD2 3.49Å; F148-F152 HydrophobicContact CD2-CD2 3.49Å; F148-F152 VanDerWaalsContact CD2-CD2 3.49Å; F148-F152 HydrophobicContact CD2-CE2 4.03Å; F148-F152 HydrophobicContact CD2-CG 4.22Å; F148-F152 HydrophobicContact CE2-CB 4.13Å; F148-F152 AromaticContact CE2-CD2 3.55Å; F148-F152 HydrophobicContact CE2-CD2 3.55Å; F148-F152 HydrophobicContact CE2-CE2 4.17Å; F148-F152 AromaticContact CE2-CG 3.84Å; F148-F152 HydrophobicContact CE2-CG 3.84Å; F148-F152 HydrophobicContact CG-CD2 4.3Å; F148-F152 HydrophobicContact CZ-CB 4.17Å; F148-F152 HydrophobicContact CZ-CD2 4.41Å; F148-F152 HydrophobicContact CZ-CG 4.35Å; F148-F152 WeakPolarHBondContact O-CB 3.21Å; F148-F152 WeakPolarHBondContact O-CD2 3.44Å; F148-F152 PolarHBondContact O-N 3.39Å; F152-A155 PolarHBondContact O-N 3.43Å; F152-L156 HydrophobicContact CB-CD1 3.97Å; F152-L156 HydrophobicContact CB-CG 4.19Å; F152-L156 WeakPolarHBondContact O-CG 3.49Å; F152-L156 PolarHBondContact O-N 2.75Å; F152-F175 AromaticContact CD1-CZ 3.95Å; F152-F175 HydrophobicContact CD1-CZ 3.95Å; F152-F175 HydrophobicContact CE1-CZ 4.33Å; F152-I182 HydrophobicContact CD1-CG2 4.28Å; F152-I182 HydrophobicContact CE1-CG2 3.53Å; F152-I182 HydrophobicContact CZ-CG2 4.08Å; F152-P183 HydrophobicContact CE2-CG 3.96Å; F152-P183 HydrophobicContact CZ-CG 3.87Å; F152-L186 HydrophobicContact CE1-CD2 3.66Å; F152-L186 HydrophobicContact CE2-CD2 4.04Å; F152-L186 HydrophobicContact CZ-CD2 3.2Å; F152-L186 HydrophobicContact CZ-CG 4.38Å; F152-L194 HydrophobicContact CD1-CD2 4.23Å; F152-L194 HydrophobicContact CE1-CD1 4.35Å
153	G	78.6	Confident	76.9	Confident	4 Å²	4	60.8 Å²	60.8	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-50.4	-47.4	-175	0	0	0	0	0	114.6	M149 A155 L156 L157	M149-G153 WeakPolarHBondContact O-CA 3.32Å; M149-G153 PolarHBondContact O-N 3.3Å; G153-A155 VanDerWaalsContact C-N 3.3Å; G153-A155 PolarHBondContact O-N 3.37Å; G153-L156 PolarHBondContact O-N 3.33Å; G153-L157 VanDerWaalsContact O-CB 3.31Å; G153-L157 WeakPolarHBondContact O-CB 3.33Å; G153-L157 VanDerWaalsContact O-CG 3.27Å; G153-L157 WeakPolarHBondContact O-CG 3.25Å; G153-L157 PolarHBondContact O-N 2.74Å
154	P	76.9	Confident	77.1	Confident	85 Å²	85	63.6 Å²	63.6	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-58.1	-40.7	177.2	-26.1	35	0	0	0	113.3	G158 A180	P154-G158 PolarHBondContact O-N 2.9Å; P154-G158 VanDerWaalsContact O-N 3.17Å; P154-A180 HydrophobicContact CB-CB 4.22Å
155	A	75.4	Confident	77	Confident	13 Å²	13	65 Å²	65	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-74.2	-37.8	178.8	0	0	0	0	0	111.8	F152 G153 F175 A180 I182	F152-A155 PolarHBondContact O-N 3.43Å; G153-A155 VanDerWaalsContact C-N 3.3Å; G153-A155 PolarHBondContact O-N 3.37Å; A155-F175 HydrophobicContact CB-CD1 3.62Å; A155-F175 HydrophobicContact CB-CE1 3.85Å; A155-A180 HydrophobicContact CB-CB 4.23Å; A155-I182 HydrophobicContact CB-CD1 4.48Å
156	L	78.6	Confident	76.8	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.099	34%	0.342	C	S	.	.	H	α-helix	trans	-66.4	-46.4	179.3	-69.2	176.5	0	0	0	112.3	F148 F152 G153 G159 W161 L194 K197	F148-L156 HydrophobicContact CE1-CD1 3.93Å; F148-L156 HydrophobicContact CZ-CD1 3.97Å; F152-L156 HydrophobicContact CB-CD1 3.97Å; F152-L156 HydrophobicContact CB-CG 4.19Å; F152-L156 WeakPolarHBondContact O-CG 3.49Å; F152-L156 PolarHBondContact O-N 2.75Å; G153-L156 PolarHBondContact O-N 3.33Å; L156-G159 PolarHBondContact O-N 3.06Å; L156-W161 HydrophobicContact CD2-CD2 3.92Å; L156-W161 HydrophobicContact CD2-CE3 4.43Å; L156-W161 HydrophobicContact CD2-CG 4.41Å; L156-W161 HydrophobicContact CD2-CH2 4.09Å; L156-W161 HydrophobicContact CD2-CZ2 3.52Å; L156-W161 HydrophobicContact CD2-CZ3 4.48Å; L156-W161 PolarHBondContact O-NE1 3.01Å; L156-L194 HydrophobicContact CD2-CD2 3.96Å; L156-K197 HydrophobicContact CD1-CG 4.42Å
157	L	74.6	Confident	76	Confident	145 Å²	145	63.2 Å²	63.2	76%	0.759	34%	0.337	S	S	*	.	H	α-helix	trans	-74.1	-28.6	-178.2	-66.9	170.7	0	0	0	112.8	G153 G159	G153-L157 VanDerWaalsContact O-CB 3.31Å; G153-L157 WeakPolarHBondContact O-CB 3.33Å; G153-L157 VanDerWaalsContact O-CG 3.27Å; G153-L157 WeakPolarHBondContact O-CG 3.25Å; G153-L157 PolarHBondContact O-N 2.74Å; L157-G159 PolarHBondContact O-N 2.86Å
158	G	73.2	Confident	74.9	Confident	55 Å²	55	61.6 Å²	61.6	57%	0.567	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.3	175.9	0	0	0	0	0	114.3	P154 E160	P154-G158 PolarHBondContact O-N 2.9Å; P154-G158 VanDerWaalsContact O-N 3.17Å; G158-E160 PolarHBondContact O-N 3.33Å
159	G	67.9	Low	73.7	Confident	43 Å²	43	65 Å²	65	44%	0.443	35%	0.348	S	S	.	.			trans	76.3	-5.1	178.2	0	0	0	0	0	115.2	L156 L157 W161	L156-G159 PolarHBondContact O-N 3.06Å; L157-G159 PolarHBondContact O-N 2.86Å; G159-W161 VanDerWaalsContact C-N 3.27Å; G159-W161 PolarHBondContact O-N 3.36Å; G159-W161 VanDerWaalsContact O-N 3.09Å
160	E	75.1	Confident	72.8	Confident	102 Å²	102	66.5 Å²	66.5	48%	0.477	35%	0.353	S	S	.	.			trans	-89.6	50.7	-175.3	-60.7	-167.8	142.7	0	0	112.7	G158 R176 N177	G158-E160 PolarHBondContact O-N 3.33Å; E160-R176 HydrophobicContact CB-CB 4.42Å; E160-R176 PolarHBondContact O-N 2.84Å; E160-N177 WeakPolarHBondContact OE2-CB 3.42Å; E160-N177 PolarHBondContact OE2-ND2 3.24Å
161	W	78.9	Confident	72.1	Confident	12 Å²	12	60 Å²	60	5%	0.045	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151	173.3	66.5	-78.7	0	0	0	112.3	L156 G159 F163 V173 E174 F175 E198 R201	L156-W161 HydrophobicContact CD2-CD2 3.92Å; L156-W161 HydrophobicContact CD2-CE3 4.43Å; L156-W161 HydrophobicContact CD2-CG 4.41Å; L156-W161 HydrophobicContact CD2-CH2 4.09Å; L156-W161 HydrophobicContact CD2-CZ2 3.52Å; L156-W161 HydrophobicContact CD2-CZ3 4.48Å; L156-W161 PolarHBondContact O-NE1 3.01Å; G159-W161 VanDerWaalsContact C-N 3.27Å; G159-W161 PolarHBondContact O-N 3.36Å; G159-W161 VanDerWaalsContact O-N 3.09Å; W161-F163 HydrophobicContact CE3-CB 4.25Å; W161-F163 HydrophobicContact CZ3-CB 3.77Å; W161-F163 HydrophobicContact CZ3-CD2 4.25Å; W161-F163 HydrophobicContact CZ3-CG 4.44Å; W161-V173 HydrophobicContact CE3-CG1 4.22Å; W161-E174 CarbonylContact C-O 3.55Å; W161-E174 WeakPolarHBondContact CA-O 3.32Å; W161-E174 WeakPolarHBondContact CB-O 3.41Å; W161-F175 HydrophobicContact CB-CD1 3.48Å; W161-F175 VanDerWaalsContact CB-CD1 3.48Å; W161-F175 HydrophobicContact CB-CE1 3.76Å; W161-F175 HydrophobicContact CB-CG 4.24Å; W161-F175 HydrophobicContact CG-CD1 4.27Å; W161-F175 HydrophobicContact CG-CE1 4.11Å; W161-E198 HydrophobicContact CH2-CB 3.86Å; W161-E198 WeakPolarHBondContact CH2-OE2 3.4Å; W161-E198 HydrophobicContact CZ3-CB 4.12Å; W161-E198 WeakPolarHBondContact CZ3-OE2 3.5Å; W161-R201 VanDerWaalsContact CE2-NH2 3.33Å; W161-R201 VanDerWaalsContact CZ2-NH1 3.35Å; W161-R201 PolarHBondContact O-NH1 3.47Å
162	K	75.4	Confident	71.7	Confident	109 Å²	109	61 Å²	61	47%	0.474	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.9	176.5	-69.3	-170.6	170.8	-176.7	0	110.1	V173 E174 R176	K162-V173 CarbonylContact O-C 3.48Å; K162-V173 WeakPolarHBondContact O-CA 3.39Å; K162-E174 HydrophobicContact CB-CB 4.35Å; K162-E174 PolarHBondContact N-O 2.58Å; K162-E174 PolarHBondContact O-N 3.27Å; K162-R176 VanDerWaalsContact CE-NH2 3.29Å; K162-R176 VanDerWaalsContact NZ-CZ 3.32Å
163	F	79.9	Confident	71.5	Confident	38 Å²	38	61 Å²	61	17%	0.167	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.9	171.9	-171.8	-80.4	0	0	0	108.7	W161 R165 F171 L172 V173 M195 E198	W161-F163 HydrophobicContact CE3-CB 4.25Å; W161-F163 HydrophobicContact CZ3-CB 3.77Å; W161-F163 HydrophobicContact CZ3-CD2 4.25Å; W161-F163 HydrophobicContact CZ3-CG 4.44Å; F163-R165 HydrophobicContact CE1-CB 4.41Å; F163-F171 AromaticContact CE1-CD1 3.66Å; F163-F171 HydrophobicContact CE1-CD1 3.66Å; F163-F171 HydrophobicContact CE1-CE1 4.32Å; F163-F171 HydrophobicContact CE2-CB 4.4Å; F163-F171 HydrophobicContact CE2-CD1 4.43Å; F163-F171 HydrophobicContact CZ-CB 4.02Å; F163-F171 AromaticContact CZ-CD1 3.35Å; F163-F171 HydrophobicContact CZ-CD1 3.35Å; F163-F171 HydrophobicContact CZ-CE1 4.09Å; F163-F171 AromaticContact CZ-CG 3.95Å; F163-F171 HydrophobicContact CZ-CG 3.95Å; F163-L172 WeakPolarHBondContact CA-O 3.32Å; F163-V173 HydrophobicContact CD2-CG2 3.7Å; F163-V173 HydrophobicContact CE2-CG2 3.96Å; F163-M195 HydrophobicContact CE2-CG 3.98Å; F163-M195 HydrophobicContact CZ-CB 4.42Å; F163-M195 HydrophobicContact CZ-CG 3.85Å; F163-E198 HydrophobicContact CB-CB 4.02Å; F163-E198 HydrophobicContact CB-CG 3.59Å; F163-E198 HydrophobicContact CD1-CB 4.08Å; F163-E198 HydrophobicContact CD1-CG 3.58Å; F163-E198 HydrophobicContact CD2-CB 3.9Å; F163-E198 HydrophobicContact CD2-CG 4.24Å; F163-E198 HydrophobicContact CE1-CG 4.29Å; F163-E198 HydrophobicContact CE2-CB 4.39Å; F163-E198 HydrophobicContact CG-CB 3.74Å; F163-E198 HydrophobicContact CG-CG 3.55Å
164	E	76.3	Confident	71.3	Confident	114 Å²	114	62.2 Å²	62.2	53%	0.533	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.5	175.3	-173.5	-176.7	165.9	0	0	109.1	V166 F171 L172	E164-V166 PolarHBondContact O-N 2.93Å; E164-F171 WeakPolarHBondContact O-CA 3.41Å; E164-L172 HydrophobicContact CB-CB 4.15Å; E164-L172 PolarHBondContact N-O 3.13Å; E164-L172 PolarHBondContact O-N 3.02Å
165	R	70	Confident	71.3	Confident	95 Å²	95	58.2 Å²	58.2	36%	0.358	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.5	168.3	-178.6	-178.1	-68.4	-104.1	4.6	107.7	F163 N167 F171	F163-R165 HydrophobicContact CE1-CB 4.41Å; R165-N167 WeakPolarHBondContact CG-O 3.06Å; R165-F171 HydrophobicContact CB-CD1 4Å; R165-F171 HydrophobicContact CB-CE1 4Å; R165-F171 HydrophobicContact CG-CD1 3.96Å; R165-F171 HydrophobicContact CG-CE1 3.55Å; R165-F171 HydrophobicContact CG-CZ 4.4Å; R165-F171 VanDerWaalsContact NH1-CZ 3.32Å
166	V	71.1	Confident	70.9	Confident	70 Å²	70	62.8 Å²	62.8	42%	0.424	32%	0.321	S	S	.	.			trans	-76.2	-38	178.2	-177.9	0	0	0	0	110.3	E164 K170 L172	E164-V166 PolarHBondContact O-N 2.93Å; V166-K170 HydrophobicContact CB-CB 4.24Å; V166-K170 HydrophobicContact CB-CD 4.3Å; V166-K170 HydrophobicContact CB-CG 4.24Å; V166-K170 WeakPolarHBondContact CB-O 3.49Å; V166-K170 HydrophobicContact CG1-CD 4.22Å; V166-K170 PolarHBondContact N-O 2.77Å; V166-L172 HydrophobicContact CG2-CB 4.43Å
167	N	63.8	Low	70.3	Confident	77 Å²	77	65.8 Å²	65.8	41%	0.412	34%	0.337	S	S	.	.	S	Bend	trans	-161.9	-172.2	170.3	59.3	49.2	0	0	0	109.8	R165 F169 K170	R165-N167 WeakPolarHBondContact CG-O 3.06Å; N167-F169 PolarHBondContact O-N 3.11Å; N167-F169 VanDerWaalsContact O-N 3.1Å; N167-F169 PolarHBondContact OD1-N 3.33Å; N167-K170 PolarHBondContact N-O 2.99Å; N167-K170 PolarHBondContact O-N 3.22Å; N167-K170 WeakPolarHBondContact OD1-CB 3.11Å; N167-K170 PolarHBondContact OD1-N 3.41Å
168	D	56.6	Low	69.4	Low	84 Å²	84	60.2 Å²	60.2	45%	0.449	31%	0.311	S	S	.	.	S	Bend	trans	-56.9	-27	-177.9	-63.4	-25.6	0	0	0	114.2	L100	L100-D168 WeakPolarHBondContact CD1-O 3.03Å
169	F	55.6	Low	68.7	Low	75 Å²	75	66.6 Å²	66.6	33%	0.329	33%	0.325	S	S	.	.	S	Bend	trans	-116.5	-9.1	-173.6	-50.5	-65.3	0	0	0	114.2	A94 S95 G98 L100 N167	A94-F169 WeakPolarHBondContact CA-O 3.08Å; S95-F169 PolarHBondContact N-O 2.76Å; G98-F169 WeakPolarHBondContact O-CE1 3.35Å; L100-F169 HydrophobicContact CD1-CD1 4.45Å; N167-F169 PolarHBondContact O-N 3.11Å; N167-F169 VanDerWaalsContact O-N 3.1Å; N167-F169 PolarHBondContact OD1-N 3.33Å
170	K	63	Low	68.2	Low	86 Å²	86	65.5 Å²	65.5	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126	-173.4	-169.4	-177.7	-178.3	-174.8	0	111.8	T92 A93 V166 N167	T92-K170 HydrophobicContact CG2-CD 4.23Å; T92-K170 HydrophobicContact CG2-CG 3.98Å; A93-K170 WeakPolarHBondContact O-CA 3.4Å; V166-K170 HydrophobicContact CB-CB 4.24Å; V166-K170 HydrophobicContact CB-CD 4.3Å; V166-K170 HydrophobicContact CB-CG 4.24Å; V166-K170 WeakPolarHBondContact CB-O 3.49Å; V166-K170 HydrophobicContact CG1-CD 4.22Å; V166-K170 PolarHBondContact N-O 2.77Å; N167-K170 PolarHBondContact N-O 2.99Å; N167-K170 PolarHBondContact O-N 3.22Å; N167-K170 WeakPolarHBondContact OD1-CB 3.11Å; N167-K170 PolarHBondContact OD1-N 3.41Å
171	F	66.7	Low	67.5	Low	8 Å²	8	72.1 Å²	72.1	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.2	-178.1	-54.6	-85.8	0	0	0	110.7	T92 A93 F163 E164 R165 M195	T92-F171 WeakPolarHBondContact CA-O 3.37Å; A93-F171 PolarHBondContact N-O 2.85Å; A93-F171 PolarHBondContact O-N 3.18Å; F163-F171 AromaticContact CE1-CD1 3.66Å; F163-F171 HydrophobicContact CE1-CD1 3.66Å; F163-F171 HydrophobicContact CE1-CE1 4.32Å; F163-F171 HydrophobicContact CE2-CB 4.4Å; F163-F171 HydrophobicContact CE2-CD1 4.43Å; F163-F171 HydrophobicContact CZ-CB 4.02Å; F163-F171 AromaticContact CZ-CD1 3.35Å; F163-F171 HydrophobicContact CZ-CD1 3.35Å; F163-F171 HydrophobicContact CZ-CE1 4.09Å; F163-F171 AromaticContact CZ-CG 3.95Å; F163-F171 HydrophobicContact CZ-CG 3.95Å; E164-F171 WeakPolarHBondContact O-CA 3.41Å; R165-F171 HydrophobicContact CB-CD1 4Å; R165-F171 HydrophobicContact CB-CE1 4Å; R165-F171 HydrophobicContact CG-CD1 3.96Å; R165-F171 HydrophobicContact CG-CE1 3.55Å; R165-F171 HydrophobicContact CG-CZ 4.4Å; R165-F171 VanDerWaalsContact NH1-CZ 3.32Å; F171-M195 HydrophobicContact CD1-CE 4.47Å; F171-M195 HydrophobicContact CD2-CE 4.35Å; F171-M195 HydrophobicContact CD2-SD 4.15Å; F171-M195 HydrophobicContact CE1-CE 3.73Å; F171-M195 HydrophobicContact CE2-CE 3.65Å; F171-M195 HydrophobicContact CE2-SD 3.95Å; F171-M195 HydrophobicContact CZ-CE 3.28Å; F171-M195 HydrophobicContact CZ-SD 4.15Å
172	L	68.7	Low	66.8	Low	46 Å²	46	71.9 Å²	71.9	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.5	172.5	-160.9	75.5	0	0	0	109	I90 Y91 F163 E164 V166	I90-L172 HydrophobicContact CG2-CD1 3.2Å; I90-L172 HydrophobicContact CG2-CD2 4.27Å; I90-L172 HydrophobicContact CG2-CG 3.79Å; Y91-L172 WeakPolarHBondContact O-CA 3.34Å; F163-L172 WeakPolarHBondContact CA-O 3.32Å; E164-L172 HydrophobicContact CB-CB 4.15Å; E164-L172 PolarHBondContact N-O 3.13Å; E164-L172 PolarHBondContact O-N 3.02Å; V166-L172 HydrophobicContact CG2-CB 4.43Å
173	V	75	Confident	66.2	Low	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.5	171.3	-168.1	0	0	0	0	108.5	Y91 W161 K162 F163 F175	Y91-V173 PolarHBondContact N-O 2.73Å; Y91-V173 PolarHBondContact O-N 2.8Å; W161-V173 HydrophobicContact CE3-CG1 4.22Å; K162-V173 CarbonylContact O-C 3.48Å; K162-V173 WeakPolarHBondContact O-CA 3.39Å; F163-V173 HydrophobicContact CD2-CG2 3.7Å; F163-V173 HydrophobicContact CE2-CG2 3.96Å; V173-F175 HydrophobicContact CB-CE2 4.43Å; V173-F175 HydrophobicContact CG1-CD2 4.25Å; V173-F175 HydrophobicContact CG1-CE2 3.55Å; V173-F175 HydrophobicContact CG1-CZ 3.73Å
174	E	75.8	Confident	65.2	Low	30 Å²	30	76.6 Å²	76.6	14%	0.14	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.5	177.5	-175.4	-166.1	-169.7	0	0	109.3	N88 I90 W161 K162 R176	N88-E174 PolarHBondContact ND2-OE1 2.85Å; I90-E174 HydrophobicContact CG1-CB 4.48Å; I90-E174 HydrophobicContact CG1-CG 4.18Å; W161-E174 CarbonylContact C-O 3.55Å; W161-E174 WeakPolarHBondContact CA-O 3.32Å; W161-E174 WeakPolarHBondContact CB-O 3.41Å; K162-E174 HydrophobicContact CB-CB 4.35Å; K162-E174 PolarHBondContact N-O 2.58Å; K162-E174 PolarHBondContact O-N 3.27Å; E174-R176 HydrophobicContact CG-CG 4.24Å; E174-R176 IonicContact OE1-NE 2.78Å; E174-R176 IonicContact OE1-NH2 3.54Å; E174-R176 IonicContact OE2-CZ 3.98Å; E174-R176 IonicContact OE2-NE 3.59Å; E174-R176 PolarHBondContact OE2-NE 2.86Å; E174-R176 IonicContact OE2-NH2 2.7Å; E174-R176 PolarHBondContact OE2-NH2 3.17Å
175	F	75.2	Confident	64.5	Low	1 Å²	1	74 Å²	74	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.7	169.5	-62.8	-87.8	0	0	0	109.3	R89 Y91 F152 A155 W161 V173 I182 L194	R89-F175 PolarHBondContact O-N 3.39Å; Y91-F175 AromaticContact CD2-CD2 3.96Å; Y91-F175 HydrophobicContact CD2-CD2 3.96Å; Y91-F175 AromaticContact CD2-CE2 3.98Å; Y91-F175 HydrophobicContact CD2-CE2 3.98Å; Y91-F175 AromaticContact CE2-CD2 3.72Å; Y91-F175 HydrophobicContact CE2-CD2 3.72Å; Y91-F175 AromaticContact CE2-CE2 3.96Å; Y91-F175 HydrophobicContact CE2-CE2 3.96Å; F152-F175 AromaticContact CD1-CZ 3.95Å; F152-F175 HydrophobicContact CD1-CZ 3.95Å; F152-F175 HydrophobicContact CE1-CZ 4.33Å; A155-F175 HydrophobicContact CB-CD1 3.62Å; A155-F175 HydrophobicContact CB-CE1 3.85Å; W161-F175 HydrophobicContact CB-CD1 3.48Å; W161-F175 VanDerWaalsContact CB-CD1 3.48Å; W161-F175 HydrophobicContact CB-CE1 3.76Å; W161-F175 HydrophobicContact CB-CG 4.24Å; W161-F175 HydrophobicContact CG-CD1 4.27Å; W161-F175 HydrophobicContact CG-CE1 4.11Å; V173-F175 HydrophobicContact CB-CE2 4.43Å; V173-F175 HydrophobicContact CG1-CD2 4.25Å; V173-F175 HydrophobicContact CG1-CE2 3.55Å; V173-F175 HydrophobicContact CG1-CZ 3.73Å; F175-I182 HydrophobicContact CB-CD1 3.69Å; F175-I182 HydrophobicContact CD1-CD1 3.93Å; F175-I182 HydrophobicContact CD2-CD1 3.6Å; F175-I182 HydrophobicContact CE1-CD1 4.46Å; F175-I182 HydrophobicContact CE2-CD1 4.15Å; F175-I182 HydrophobicContact CG-CD1 3.45Å; F175-I182 VanDerWaalsContact CG-CD1 3.45Å; F175-L194 HydrophobicContact CZ-CD2 4.05Å
176	R	68.6	Low	64.2	Low	110 Å²	110	69.9 Å²	69.9	42%	0.415	33%	0.334	S	S	.	.	S	Bend	trans	-91.1	-5.9	-167.3	-69.6	-179.2	170.7	-137.9	-19.3	115	N88 E160 K162 E174	N88-R176 PolarHBondContact OD1-O 3.27Å; E160-R176 HydrophobicContact CB-CB 4.42Å; E160-R176 PolarHBondContact O-N 2.84Å; K162-R176 VanDerWaalsContact CE-NH2 3.29Å; K162-R176 VanDerWaalsContact NZ-CZ 3.32Å; E174-R176 HydrophobicContact CG-CG 4.24Å; E174-R176 IonicContact OE1-NE 2.78Å; E174-R176 IonicContact OE1-NH2 3.54Å; E174-R176 IonicContact OE2-CZ 3.98Å; E174-R176 IonicContact OE2-NE 3.59Å; E174-R176 PolarHBondContact OE2-NE 2.86Å; E174-R176 IonicContact OE2-NH2 2.7Å; E174-R176 PolarHBondContact OE2-NH2 3.17Å
177	N	65.8	Low	64.1	Low	81 Å²	81	70.7 Å²	70.7	43%	0.433	34%	0.336	S	S	.	.			trans	-164.4	58.2	179.2	-156.5	1.3	0	0	0	113	E160 Q179	E160-N177 WeakPolarHBondContact OE2-CB 3.42Å; E160-N177 PolarHBondContact OE2-ND2 3.24Å; N177-Q179 VanDerWaalsContact C-N 3.35Å; N177-Q179 PolarHBondContact O-N 2.99Å
178	S	55.2	Low	64.5	Low	29 Å²	29	68.8 Å²	68.8	20%	0.203	33%	0.328	C	S	.	.			trans	-80.3	79.8	-174.4	69.9	0	0	0	0	112.2	A180	S178-A180 PolarHBondContact O-N 3Å
179	Q	59.1	Low	65.4	Low	188 Å²	188	67.3 Å²	67.3	88%	0.879	32%	0.32	S	S	*	.			trans	-60.1	-19.5	150.4	-69.7	-168.3	-8.7	0	0	110.7	N177	N177-Q179 VanDerWaalsContact C-N 3.35Å; N177-Q179 PolarHBondContact O-N 2.99Å
180	A	56.6	Low	66.5	Low	21 Å²	21	64.2 Å²	64.2	17%	0.174	31%	0.308	C	S	.	.	S	Bend	trans	-60.4	132.8	168.9	0	0	0	0	0	111.5	P154 A155 S178 I182	P154-A180 HydrophobicContact CB-CB 4.22Å; A155-A180 HydrophobicContact CB-CB 4.23Å; S178-A180 PolarHBondContact O-N 3Å; A180-I182 HydrophobicContact CB-CG1 4.22Å; A180-I182 PolarHBondContact O-N 3.23Å
181	R	60.4	Low	67.1	Low	241 Å²	241	60.8 Å²	60.8	91%	0.909	29%	0.294	S	S	*	.			trans	-70.3	73.9	173.1	-72.4	-176.2	178.3	-179	0.3	110.2
182	I	63.7	Low	67.8	Low	7 Å²	7	61 Å²	61	4%	0.036	30%	0.295	C	S	.	.			trans	-69.9	129.4	178.1	-54.3	-179.5	0	0	0	108.9	R89 Y91 F152 A155 F175 A180	R89-I182 PolarHBondContact NH1-O 3.14Å; R89-I182 VanDerWaalsContact NH1-O 3.13Å; Y91-I182 HydrophobicContact CE1-CG2 4.48Å; Y91-I182 HydrophobicContact CE2-CG2 4.04Å; Y91-I182 WeakPolarHBondContact OH-CG2 3.36Å; F152-I182 HydrophobicContact CD1-CG2 4.28Å; F152-I182 HydrophobicContact CE1-CG2 3.53Å; F152-I182 HydrophobicContact CZ-CG2 4.08Å; A155-I182 HydrophobicContact CB-CD1 4.48Å; F175-I182 HydrophobicContact CB-CD1 3.69Å; F175-I182 HydrophobicContact CD1-CD1 3.93Å; F175-I182 HydrophobicContact CD2-CD1 3.6Å; F175-I182 HydrophobicContact CE1-CD1 4.46Å; F175-I182 HydrophobicContact CE2-CD1 4.15Å; F175-I182 HydrophobicContact CG-CD1 3.45Å; F175-I182 VanDerWaalsContact CG-CD1 3.45Å; A180-I182 HydrophobicContact CB-CG1 4.22Å; A180-I182 PolarHBondContact O-N 3.23Å
183	P	62.6	Low	68.5	Low	33 Å²	33	59.3 Å²	59.3	21%	0.214	29%	0.286	C	S	.	.			trans	-50.4	141.6	175.8	-28.2	34.6	0	0	0	112	Y91 D151 F152 A185	Y91-P183 PolarHBondContact OH-O 3.43Å; D151-P183 HydrophobicContact CB-CG 4.11Å; F152-P183 HydrophobicContact CE2-CG 3.96Å; F152-P183 HydrophobicContact CZ-CG 3.87Å; P183-A185 VanDerWaalsContact C-N 3.25Å; P183-A185 WeakPolarHBondContact CB-O 3.02Å; P183-A185 PolarHBondContact O-N 3.19Å
184	R	59.8	Low	68.9	Low	213 Å²	213	59.3 Å²	59.3	80%	0.804	29%	0.286	S	S	*	.	S	Bend	trans	-59.1	-39.6	178.2	-76.5	-176.1	177.4	166.4	-0.3	111.3	L64	L64-R184 WeakPolarHBondContact CD1-O 3.3Å; L64-R184 WeakPolarHBondContact CD2-O 3.5Å; L64-R184 WeakPolarHBondContact CG-O 3.36Å
185	A	60.3	Low	69.3	Low	60 Å²	60	58.8 Å²	58.8	50%	0.496	28%	0.283	S	S	.	.	S	Bend	trans	-124.8	146.2	175.8	0	0	0	0	0	110.5	P183	P183-A185 VanDerWaalsContact C-N 3.25Å; P183-A185 WeakPolarHBondContact CB-O 3.02Å; P183-A185 PolarHBondContact O-N 3.19Å
186	L	65	Low	70	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.042	28%	0.284	C	S	.	.			trans	-89	133.8	170.2	-71	156.3	0	0	0	108.3	V62 Y91 F152 M191 L194	V62-L186 HydrophobicContact CG1-CB 4.24Å; V62-L186 VanDerWaalsContact CG2-O 3.24Å; V62-L186 WeakPolarHBondContact CG2-O 3.5Å; Y91-L186 HydrophobicContact CD1-CD1 3.55Å; Y91-L186 HydrophobicContact CD1-CG 4.12Å; Y91-L186 HydrophobicContact CD2-CD1 4.37Å; Y91-L186 HydrophobicContact CE1-CD1 4.34Å; Y91-L186 HydrophobicContact CG-CD1 3.58Å; F152-L186 HydrophobicContact CE1-CD2 3.66Å; F152-L186 HydrophobicContact CE2-CD2 4.04Å; F152-L186 HydrophobicContact CZ-CD2 3.2Å; F152-L186 HydrophobicContact CZ-CG 4.38Å; L186-M191 HydrophobicContact CB-CE 3.86Å; L186-M191 HydrophobicContact CD1-CE 3.32Å; L186-M191 HydrophobicContact CG-CE 4.1Å; L186-L194 HydrophobicContact CD1-CD1 3.9Å; L186-L194 HydrophobicContact CD2-CD1 3.75Å
187	N	69.1	Low	71	Confident	87 Å²	87	55 Å²	55	47%	0.465	27%	0.27	S	S	.	.			trans	-84.4	171.7	164.4	63.2	19.6	0	0	0	109.5	N189 S190 M191	N187-N189 VanDerWaalsContact C-N 3.29Å; N187-N189 PolarHBondContact O-N 2.91Å; N187-N189 PolarHBondContact OD1-N 3.3Å; N187-S190 PolarHBondContact O-N 3.06Å; N187-S190 VanDerWaalsContact OD1-CB 3.3Å; N187-S190 WeakPolarHBondContact OD1-CB 3.27Å; N187-S190 PolarHBondContact OD1-N 2.85Å; N187-S190 PolarHBondContact OD1-OG 2.87Å; N187-S190 VanDerWaalsContact OD1-OG 3.07Å; N187-M191 PolarHBondContact O-N 3.26Å
188	S	70.8	Confident	72	Confident	36 Å²	36	53.1 Å²	53.1	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-53.5	-46	178.7	49	0	0	0	0	112.2	N60 M191 Q192	N60-S188 WeakPolarHBondContact ND2-CB 3.43Å; S188-M191 WeakPolarHBondContact O-CB 3.43Å; S188-M191 PolarHBondContact O-N 2.88Å; S188-Q192 PolarHBondContact O-N 3.13Å
189	N	76.8	Confident	73.7	Confident	53 Å²	53	52.7 Å²	52.7	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-46.6	-177.1	-58.2	27.7	0	0	0	111.2	V144 N187 M191 Q192 Q193 D223	V144-N189 HydrophobicContact CG1-CB 4.23Å; N187-N189 VanDerWaalsContact C-N 3.29Å; N187-N189 PolarHBondContact O-N 2.91Å; N187-N189 PolarHBondContact OD1-N 3.3Å; N189-M191 VanDerWaalsContact C-N 3.27Å; N189-M191 PolarHBondContact O-N 3.14Å; N189-Q192 PolarHBondContact O-N 3.13Å; N189-Q193 VanDerWaalsContact O-CG 3.25Å; N189-Q193 WeakPolarHBondContact O-CG 3.42Å; N189-Q193 PolarHBondContact O-N 3.24Å; N189-D223 PolarHBondContact OD1-OD1 3.18Å
190	S	77.9	Confident	75.4	Confident	11 Å²	11	45.2 Å²	45.2	8%	0.077	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-35.2	176.5	-67	0	0	0	0	112	F148 N187 L194	F148-S190 WeakPolarHBondContact CE2-O 3.44Å; N187-S190 PolarHBondContact O-N 3.06Å; N187-S190 VanDerWaalsContact OD1-CB 3.3Å; N187-S190 WeakPolarHBondContact OD1-CB 3.27Å; N187-S190 PolarHBondContact OD1-N 2.85Å; N187-S190 PolarHBondContact OD1-OG 2.87Å; N187-S190 VanDerWaalsContact OD1-OG 3.07Å; S190-L194 WeakPolarHBondContact O-CG 3.44Å; S190-L194 PolarHBondContact O-N 3.18Å
191	M	75.5	Confident	77.1	Confident	13 Å²	13	48 Å²	48	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-49.1	175.8	-174.9	57.1	45.8	0	0	111.3	A93 L186 N187 S188 N189 Q193 L194 M195	A93-M191 HydrophobicContact CB-CE 3.52Å; A93-M191 HydrophobicContact CB-CG 3.72Å; A93-M191 HydrophobicContact CB-SD 3.52Å; A93-M191 VanDerWaalsContact CB-SD 3.52Å; L186-M191 HydrophobicContact CB-CE 3.86Å; L186-M191 HydrophobicContact CD1-CE 3.32Å; L186-M191 HydrophobicContact CG-CE 4.1Å; N187-M191 PolarHBondContact O-N 3.26Å; S188-M191 WeakPolarHBondContact O-CB 3.43Å; S188-M191 PolarHBondContact O-N 2.88Å; N189-M191 VanDerWaalsContact C-N 3.27Å; N189-M191 PolarHBondContact O-N 3.14Å; M191-Q193 VanDerWaalsContact C-N 3.32Å; M191-Q193 PolarHBondContact O-N 3.47Å; M191-L194 WeakPolarHBondContact O-CB 3.4Å; M191-L194 PolarHBondContact O-N 3.48Å; M191-L194 VanDerWaalsContact O-N 3.15Å; M191-M195 HydrophobicContact CG-SD 4.3Å; M191-M195 WeakPolarHBondContact O-CG 3.46Å; M191-M195 PolarHBondContact O-N 2.95Å
192	Q	81.1	Confident	78.5	Confident	12 Å²	12	38.9 Å²	38.9	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-55.2	-48.3	175.1	179.9	-141.4	34.4	0	0	110.9	S188 N189 L194 M195 L196 N219 D222 E224	S188-Q192 PolarHBondContact O-N 3.13Å; N189-Q192 PolarHBondContact O-N 3.13Å; Q192-L194 VanDerWaalsContact C-N 3.32Å; Q192-L194 PolarHBondContact O-N 3.48Å; Q192-M195 WeakPolarHBondContact O-CB 3.48Å; Q192-M195 PolarHBondContact O-N 3.23Å; Q192-L196 HydrophobicContact CG-CD1 4.13Å; Q192-L196 HydrophobicContact CG-CG 4.45Å; Q192-L196 WeakPolarHBondContact O-CG 3.07Å; Q192-L196 PolarHBondContact O-N 3.4Å; Q192-N219 PolarHBondContact NE2-ND2 2.83Å; Q192-D222 PolarHBondContact NE2-O 2.93Å; Q192-E224 PolarHBondContact NE2-O 2.83Å
193	Q	85	Confident	80.1	Confident	12 Å²	12	38.6 Å²	38.6	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-36.1	179.1	-65.3	-63.2	-45.4	0	0	112.5	F148 N189 M191 L196 K197 N219	F148-Q193 HydrophobicContact CD1-CB 3.86Å; F148-Q193 HydrophobicContact CD1-CG 4.43Å; F148-Q193 HydrophobicContact CD2-CB 3.86Å; F148-Q193 HydrophobicContact CE1-CB 3.69Å; F148-Q193 HydrophobicContact CE2-CB 3.69Å; F148-Q193 HydrophobicContact CG-CB 3.94Å; F148-Q193 HydrophobicContact CG-CG 4.35Å; F148-Q193 HydrophobicContact CZ-CB 3.59Å; N189-Q193 VanDerWaalsContact O-CG 3.25Å; N189-Q193 WeakPolarHBondContact O-CG 3.42Å; N189-Q193 PolarHBondContact O-N 3.24Å; M191-Q193 VanDerWaalsContact C-N 3.32Å; M191-Q193 PolarHBondContact O-N 3.47Å; Q193-L196 PolarHBondContact O-N 3.05Å; Q193-K197 WeakPolarHBondContact O-CB 3.37Å; Q193-K197 WeakPolarHBondContact O-CG 3.39Å; Q193-K197 PolarHBondContact O-N 2.89Å; Q193-N219 PolarHBondContact NE2-O 3.31Å
194	L	83.6	Confident	81.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-42.7	171.1	-74.2	169.3	0	0	0	112.1	F148 F152 L156 F175 L186 S190 M191 Q192 K197 E198	F148-L194 HydrophobicContact CE2-CD2 4.16Å; F148-L194 HydrophobicContact CE2-CG 3.91Å; F148-L194 HydrophobicContact CZ-CD2 3.94Å; F148-L194 HydrophobicContact CZ-CG 4.03Å; F152-L194 HydrophobicContact CD1-CD2 4.23Å; F152-L194 HydrophobicContact CE1-CD1 4.35Å; L156-L194 HydrophobicContact CD2-CD2 3.96Å; F175-L194 HydrophobicContact CZ-CD2 4.05Å; L186-L194 HydrophobicContact CD1-CD1 3.9Å; L186-L194 HydrophobicContact CD2-CD1 3.75Å; S190-L194 WeakPolarHBondContact O-CG 3.44Å; S190-L194 PolarHBondContact O-N 3.18Å; M191-L194 WeakPolarHBondContact O-CB 3.4Å; M191-L194 PolarHBondContact O-N 3.48Å; M191-L194 VanDerWaalsContact O-N 3.15Å; Q192-L194 VanDerWaalsContact C-N 3.32Å; Q192-L194 PolarHBondContact O-N 3.48Å; L194-K197 PolarHBondContact O-N 3.07Å; L194-E198 PolarHBondContact O-N 3.36Å
195	M	83.9	Confident	83.4	Confident	18 Å²	18	31.3 Å²	31.3	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-43.8	177.2	-65	173.2	61.7	0	0	111.7	F163 F171 M191 Q192 K197 E198 W199 P226	F163-M195 HydrophobicContact CE2-CG 3.98Å; F163-M195 HydrophobicContact CZ-CB 4.42Å; F163-M195 HydrophobicContact CZ-CG 3.85Å; F171-M195 HydrophobicContact CD1-CE 4.47Å; F171-M195 HydrophobicContact CD2-CE 4.35Å; F171-M195 HydrophobicContact CD2-SD 4.15Å; F171-M195 HydrophobicContact CE1-CE 3.73Å; F171-M195 HydrophobicContact CE2-CE 3.65Å; F171-M195 HydrophobicContact CE2-SD 3.95Å; F171-M195 HydrophobicContact CZ-CE 3.28Å; F171-M195 HydrophobicContact CZ-SD 4.15Å; M191-M195 HydrophobicContact CG-SD 4.3Å; M191-M195 WeakPolarHBondContact O-CG 3.46Å; M191-M195 PolarHBondContact O-N 2.95Å; Q192-M195 WeakPolarHBondContact O-CB 3.48Å; Q192-M195 PolarHBondContact O-N 3.23Å; M195-K197 VanDerWaalsContact C-N 3.34Å; M195-E198 PolarHBondContact O-N 3.15Å; M195-W199 WeakPolarHBondContact O-CB 3.29Å; M195-W199 PolarHBondContact O-N 3.44Å; M195-P226 HydrophobicContact CB-CG 4.2Å; M195-P226 WeakPolarHBondContact O-CG 3.29Å
196	L	89.8	Confident	85.1	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-38.4	176.7	-65.2	175.4	0	0	0	111.6	Q192 Q193 W199 E200 V217 N219 P226 W326	Q192-L196 HydrophobicContact CG-CD1 4.13Å; Q192-L196 HydrophobicContact CG-CG 4.45Å; Q192-L196 WeakPolarHBondContact O-CG 3.07Å; Q192-L196 PolarHBondContact O-N 3.4Å; Q193-L196 PolarHBondContact O-N 3.05Å; L196-W199 HydrophobicContact CD2-CE3 4.15Å; L196-W199 PolarHBondContact O-N 2.77Å; L196-E200 WeakPolarHBondContact O-CB 3.33Å; L196-E200 PolarHBondContact O-N 2.86Å; L196-V217 HydrophobicContact CB-CG1 4.25Å; L196-V217 HydrophobicContact CD2-CG1 3.88Å; L196-N219 HydrophobicContact CD1-CB 3.55Å; L196-P226 HydrophobicContact CD2-CG 4.09Å; L196-W326 HydrophobicContact CD1-CH2 4.49Å; L196-W326 HydrophobicContact CD2-CH2 3.6Å; L196-W326 HydrophobicContact CD2-CZ2 4.05Å
197	K	88.4	Confident	86.6	Confident	30 Å²	30	30.8 Å²	30.8	13%	0.13	17%	0.17	C	C	.	.	H	α-helix	trans	-70.4	-34.1	176	-72.6	-56.5	179.7	-165.4	0	113.9	F148 L156 Q193 L194 M195 E200 R201	F148-K197 HydrophobicContact CE1-CG 4.41Å; L156-K197 HydrophobicContact CD1-CG 4.42Å; Q193-K197 WeakPolarHBondContact O-CB 3.37Å; Q193-K197 WeakPolarHBondContact O-CG 3.39Å; Q193-K197 PolarHBondContact O-N 2.89Å; L194-K197 PolarHBondContact O-N 3.07Å; M195-K197 VanDerWaalsContact C-N 3.34Å; K197-E200 VanDerWaalsContact NZ-CD 3.29Å; K197-E200 IonicContact NZ-OE1 2.76Å; K197-E200 PolarHBondContact NZ-OE1 3.1Å; K197-E200 IonicContact NZ-OE2 3.43Å; K197-E200 PolarHBondContact NZ-OE2 3.12Å; K197-R201 VanDerWaalsContact O-CB 3.29Å; K197-R201 WeakPolarHBondContact O-CB 3.32Å; K197-R201 PolarHBondContact O-N 2.99Å
198	E	87.3	Confident	87.9	Confident	42 Å²	42	30.2 Å²	30.2	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-43	169.5	179.3	61	-165	0	0	111.2	W161 F163 L194 M195 R201 S202	W161-E198 HydrophobicContact CH2-CB 3.86Å; W161-E198 WeakPolarHBondContact CH2-OE2 3.4Å; W161-E198 HydrophobicContact CZ3-CB 4.12Å; W161-E198 WeakPolarHBondContact CZ3-OE2 3.5Å; F163-E198 HydrophobicContact CB-CB 4.02Å; F163-E198 HydrophobicContact CB-CG 3.59Å; F163-E198 HydrophobicContact CD1-CB 4.08Å; F163-E198 HydrophobicContact CD1-CG 3.58Å; F163-E198 HydrophobicContact CD2-CB 3.9Å; F163-E198 HydrophobicContact CD2-CG 4.24Å; F163-E198 HydrophobicContact CE1-CG 4.29Å; F163-E198 HydrophobicContact CE2-CB 4.39Å; F163-E198 HydrophobicContact CG-CB 3.74Å; F163-E198 HydrophobicContact CG-CG 3.55Å; L194-E198 PolarHBondContact O-N 3.36Å; M195-E198 PolarHBondContact O-N 3.15Å; E198-R201 WeakPolarHBondContact O-CB 3.26Å; E198-R201 PolarHBondContact O-N 2.82Å; E198-S202 WeakPolarHBondContact O-CB 3.28Å; E198-S202 PolarHBondContact O-N 2.98Å
199	W	90.6	Very high	89.1	Confident	20 Å²	20	32.5 Å²	32.5	8%	0.076	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-48.2	178.7	-175.7	37.8	0	0	0	111.5	M195 L196 R201 S202 M203 V217 P226 P227 F230 I317 W326 F392	M195-W199 WeakPolarHBondContact O-CB 3.29Å; M195-W199 PolarHBondContact O-N 3.44Å; L196-W199 HydrophobicContact CD2-CE3 4.15Å; L196-W199 PolarHBondContact O-N 2.77Å; W199-R201 VanDerWaalsContact C-N 3.33Å; W199-R201 PolarHBondContact O-N 2.98Å; W199-S202 PolarHBondContact O-N 2.75Å; W199-S202 PolarHBondContact O-OG 2.81Å; W199-M203 HydrophobicContact CD2-CE 3.5Å; W199-M203 HydrophobicContact CD2-SD 4.45Å; W199-M203 VanDerWaalsContact CE2-CE 3.4Å; W199-M203 HydrophobicContact CE3-CE 4.08Å; W199-M203 HydrophobicContact CG-CE 3.75Å; W199-M203 HydrophobicContact CH2-CE 4.4Å; W199-M203 HydrophobicContact CZ2-CE 3.88Å; W199-M203 HydrophobicContact CZ2-SD 4.03Å; W199-M203 HydrophobicContact CZ3-CE 4.5Å; W199-M203 WeakPolarHBondContact O-CG 3.43Å; W199-M203 PolarHBondContact O-N 3.12Å; W199-V217 HydrophobicContact CE3-CG1 3.77Å; W199-V217 HydrophobicContact CE3-CG2 4.08Å; W199-V217 HydrophobicContact CZ3-CG1 3.78Å; W199-V217 HydrophobicContact CZ3-CG2 4.32Å; W199-P226 HydrophobicContact CB-CB 3.92Å; W199-P226 HydrophobicContact CB-CG 3.52Å; W199-P226 HydrophobicContact CD2-CB 3.6Å; W199-P226 HydrophobicContact CD2-CG 3.99Å; W199-P226 HydrophobicContact CE3-CB 3.72Å; W199-P226 HydrophobicContact CE3-CG 3.91Å; W199-P226 HydrophobicContact CG-CB 3.69Å; W199-P226 HydrophobicContact CG-CG 3.86Å; W199-P226 HydrophobicContact CZ3-CB 4.48Å; W199-P227 VanDerWaalsContact CH2-CD 3.43Å; W199-P227 HydrophobicContact CH2-CG 4.09Å; W199-P227 HydrophobicContact CZ2-CG 4.26Å; W199-F230 HydrophobicContact CZ2-CD1 4.28Å; W199-I317 HydrophobicContact CH2-CD1 4.49Å; W199-I317 HydrophobicContact CH2-CG2 4.16Å; W199-I317 HydrophobicContact CZ3-CG2 4.42Å; W199-W326 HydrophobicContact CZ3-CH2 4.33Å; W199-W326 HydrophobicContact CZ3-CZ2 4.37Å; W199-W326 HydrophobicContact CZ3-CZ3 4.49Å; W199-F392 HydrophobicContact CH2-CE1 4.08Å; W199-F392 HydrophobicContact CH2-CE2 4.01Å; W199-F392 AromaticContact CH2-CZ 3.58Å; W199-F392 HydrophobicContact CH2-CZ 3.58Å; W199-F392 HydrophobicContact CZ2-CE1 4.42Å; W199-F392 AromaticContact CZ2-CE2 3.89Å; W199-F392 HydrophobicContact CZ2-CE2 3.89Å; W199-F392 AromaticContact CZ2-CZ 3.53Å; W199-F392 HydrophobicContact CZ2-CZ 3.53Å
200	E	95	Very high	90	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-52.5	-48.7	171.6	-178.4	-179.9	109.9	0	0	111.6	L196 K197 M203 N204 T216 V217	L196-E200 WeakPolarHBondContact O-CB 3.33Å; L196-E200 PolarHBondContact O-N 2.86Å; K197-E200 VanDerWaalsContact NZ-CD 3.29Å; K197-E200 IonicContact NZ-OE1 2.76Å; K197-E200 PolarHBondContact NZ-OE1 3.1Å; K197-E200 IonicContact NZ-OE2 3.43Å; K197-E200 PolarHBondContact NZ-OE2 3.12Å; E200-M203 PolarHBondContact O-N 2.91Å; E200-N204 WeakPolarHBondContact O-CB 3.27Å; E200-N204 PolarHBondContact O-N 2.96Å; E200-N204 PolarHBondContact O-ND2 2.94Å; E200-N204 VanDerWaalsContact O-ND2 3.09Å; E200-T216 WeakPolarHBondContact OE2-CA 3.5Å; E200-V217 HydrophobicContact CB-CB 4.21Å; E200-V217 HydrophobicContact CB-CG2 3.88Å; E200-V217 HydrophobicContact CG-CG2 4.41Å; E200-V217 PolarHBondContact OE2-N 3.06Å
201	R	91.7	Very high	90.8	Very high	80 Å²	80	38.7 Å²	38.7	30%	0.302	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-47.5	177.2	170.7	-173.3	-83.4	-166	-13.4	111.9	W161 K197 E198 W199 M203 N204 A205	W161-R201 VanDerWaalsContact CE2-NH2 3.33Å; W161-R201 VanDerWaalsContact CZ2-NH1 3.35Å; W161-R201 PolarHBondContact O-NH1 3.47Å; K197-R201 VanDerWaalsContact O-CB 3.29Å; K197-R201 WeakPolarHBondContact O-CB 3.32Å; K197-R201 PolarHBondContact O-N 2.99Å; E198-R201 WeakPolarHBondContact O-CB 3.26Å; E198-R201 PolarHBondContact O-N 2.82Å; W199-R201 VanDerWaalsContact C-N 3.33Å; W199-R201 PolarHBondContact O-N 2.98Å; R201-M203 VanDerWaalsContact C-N 3.34Å; R201-M203 PolarHBondContact O-N 2.84Å; R201-N204 PolarHBondContact O-N 3.09Å; R201-A205 PolarHBondContact O-N 3.32Å
202	S	91.2	Very high	91.9	Very high	50 Å²	50	39.1 Å²	39.1	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-41.7	-177.7	73.9	0	0	0	0	111.9	E198 W199 A205 V206	E198-S202 WeakPolarHBondContact O-CB 3.28Å; E198-S202 PolarHBondContact O-N 2.98Å; W199-S202 PolarHBondContact O-N 2.75Å; W199-S202 PolarHBondContact O-OG 2.81Å; S202-A205 PolarHBondContact O-N 2.75Å; S202-V206 PolarHBondContact O-N 3.33Å
203	M	96.2	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-45.1	176.7	-68	-171.5	-78.6	0	0	110.3	W199 E200 R201 A205 V206 C207 L215 V217 F232 I317	W199-M203 HydrophobicContact CD2-CE 3.5Å; W199-M203 HydrophobicContact CD2-SD 4.45Å; W199-M203 VanDerWaalsContact CE2-CE 3.4Å; W199-M203 HydrophobicContact CE3-CE 4.08Å; W199-M203 HydrophobicContact CG-CE 3.75Å; W199-M203 HydrophobicContact CH2-CE 4.4Å; W199-M203 HydrophobicContact CZ2-CE 3.88Å; W199-M203 HydrophobicContact CZ2-SD 4.03Å; W199-M203 HydrophobicContact CZ3-CE 4.5Å; W199-M203 WeakPolarHBondContact O-CG 3.43Å; W199-M203 PolarHBondContact O-N 3.12Å; E200-M203 PolarHBondContact O-N 2.91Å; R201-M203 VanDerWaalsContact C-N 3.34Å; R201-M203 PolarHBondContact O-N 2.84Å; M203-A205 VanDerWaalsContact C-N 3.3Å; M203-A205 PolarHBondContact O-N 2.69Å; M203-V206 WeakPolarHBondContact O-CB 3.45Å; M203-V206 PolarHBondContact O-N 2.82Å; M203-V206 VanDerWaalsContact O-N 3.11Å; M203-C207 PolarHBondContact O-N 3.01Å; M203-C207 PolarHBondContact O-SG 2.89Å; M203-C207 VanDerWaalsContact O-SG 3.38Å; M203-L215 HydrophobicContact CB-CD1 4.19Å; M203-L215 HydrophobicContact CB-CD2 4.41Å; M203-L215 HydrophobicContact CE-CD1 3.76Å; M203-L215 HydrophobicContact SD-CD1 4.27Å; M203-L215 HydrophobicContact SD-CD2 4.4Å; M203-V217 HydrophobicContact CE-CG2 3.42Å; M203-V217 VanDerWaalsContact CE-CG2 3.42Å; M203-F232 HydrophobicContact CB-CD1 4.09Å; M203-F232 HydrophobicContact CB-CD2 4.17Å; M203-F232 HydrophobicContact CB-CE1 4.26Å; M203-F232 HydrophobicContact CB-CE2 4.33Å; M203-F232 HydrophobicContact CB-CG 4.04Å; M203-F232 HydrophobicContact CB-CZ 4.38Å; M203-F232 HydrophobicContact CG-CB 3.76Å; M203-F232 HydrophobicContact CG-CD1 4.13Å; M203-F232 HydrophobicContact CG-CD2 3.61Å; M203-F232 HydrophobicContact CG-CE2 4.19Å; M203-F232 HydrophobicContact CG-CG 3.57Å; M203-F232 HydrophobicContact SD-CB 4.48Å; M203-F232 HydrophobicContact SD-CD2 3.52Å; M203-F232 VanDerWaalsContact SD-CD2 3.52Å; M203-F232 HydrophobicContact SD-CE2 3.92Å; M203-F232 HydrophobicContact SD-CG 4.12Å; M203-I317 HydrophobicContact CE-CD1 4.09Å; M203-I317 HydrophobicContact SD-CD1 4.07Å
204	N	96.9	Very high	93.1	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-29	178.7	-77.8	-40.3	0	0	0	113.7	E200 R201 V206 C207 A208 S214 L215	E200-N204 WeakPolarHBondContact O-CB 3.27Å; E200-N204 PolarHBondContact O-N 2.96Å; E200-N204 PolarHBondContact O-ND2 2.94Å; E200-N204 VanDerWaalsContact O-ND2 3.09Å; R201-N204 PolarHBondContact O-N 3.09Å; N204-V206 VanDerWaalsContact C-N 3.34Å; N204-C207 PolarHBondContact O-N 2.89Å; N204-A208 VanDerWaalsContact O-CB 3.24Å; N204-A208 WeakPolarHBondContact O-CB 3.37Å; N204-A208 PolarHBondContact O-N 3.11Å; N204-S214 WeakPolarHBondContact OD1-CA 3.25Å; N204-S214 VanDerWaalsContact OD1-CB 3.28Å; N204-S214 WeakPolarHBondContact OD1-CB 3.4Å; N204-L215 PolarHBondContact ND2-O 3.1Å; N204-L215 PolarHBondContact OD1-N 2.86Å; N204-L215 PolarHBondContact OD1-O 3.09Å
205	A	95.4	Very high	93.8	Very high	62 Å²	62	42.2 Å²	42.2	51%	0.512	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-41.6	171.6	0	0	0	0	0	111.4	R201 S202 M203 A209	R201-A205 PolarHBondContact O-N 3.32Å; S202-A205 PolarHBondContact O-N 2.75Å; M203-A205 VanDerWaalsContact C-N 3.3Å; M203-A205 PolarHBondContact O-N 2.69Å; A205-A209 WeakPolarHBondContact O-CB 3.36Å; A205-A209 PolarHBondContact O-N 3.23Å; A205-A209 VanDerWaalsContact O-N 3.13Å
206	V	95.9	Very high	94.5	Very high	55 Å²	55	43.6 Å²	43.6	33%	0.333	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-44.6	174.5	-178.9	0	0	0	0	110.9	S202 M203 N204 A209 K210 F232 L234	S202-V206 PolarHBondContact O-N 3.33Å; M203-V206 WeakPolarHBondContact O-CB 3.45Å; M203-V206 PolarHBondContact O-N 2.82Å; M203-V206 VanDerWaalsContact O-N 3.11Å; N204-V206 VanDerWaalsContact C-N 3.34Å; V206-A209 PolarHBondContact O-N 3.33Å; V206-K210 PolarHBondContact O-N 3.01Å; V206-F232 HydrophobicContact CB-CD1 3.96Å; V206-F232 HydrophobicContact CB-CE1 4.24Å; V206-F232 HydrophobicContact CG1-CD1 4.05Å; V206-F232 HydrophobicContact CG1-CE1 4.25Å; V206-F232 HydrophobicContact CG2-CD1 4.39Å; V206-L234 HydrophobicContact CG1-CD1 3.82Å; V206-L234 HydrophobicContact CG1-CG 3.93Å
207	C	97.4	Very high	94.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-50.2	175.9	-67.4	0	0	0	0	112	M203 N204 A209 K210 G211 I212	M203-C207 PolarHBondContact O-N 3.01Å; M203-C207 PolarHBondContact O-SG 2.89Å; M203-C207 VanDerWaalsContact O-SG 3.38Å; N204-C207 PolarHBondContact O-N 2.89Å; C207-A209 VanDerWaalsContact C-N 3.33Å; C207-A209 PolarHBondContact O-N 3.01Å; C207-K210 CarbonylContact O-C 3.57Å; C207-K210 PolarHBondContact O-N 3.33Å; C207-G211 PolarHBondContact O-N 2.9Å; C207-I212 HydrophobicContact CB-CB 3.93Å; C207-I212 HydrophobicContact CB-CG2 4.25Å; C207-I212 PolarHBondContact O-N 2.66Å
208	A	96.4	Very high	95	Very high	75 Å²	75	44.3 Å²	44.3	62%	0.62	28%	0.278	S	S	*	.	H	α-helix	trans	-60.9	-40.7	-178.9	0	0	0	0	0	112.2	N204 K210 G211	N204-A208 VanDerWaalsContact O-CB 3.24Å; N204-A208 WeakPolarHBondContact O-CB 3.37Å; N204-A208 PolarHBondContact O-N 3.11Å; A208-K210 PolarHBondContact O-N 2.99Å; A208-K210 VanDerWaalsContact O-N 3.1Å; A208-G211 PolarHBondContact O-N 2.77Å; A208-G211 VanDerWaalsContact O-N 3.15Å
209	A	96.2	Very high	95.2	Very high	84 Å²	84	42.4 Å²	42.4	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-62.1	-17.4	176.5	0	0	0	0	0	113.7	A205 V206 C207	A205-A209 WeakPolarHBondContact O-CB 3.36Å; A205-A209 PolarHBondContact O-N 3.23Å; A205-A209 VanDerWaalsContact O-N 3.13Å; V206-A209 PolarHBondContact O-N 3.33Å; C207-A209 VanDerWaalsContact C-N 3.33Å; C207-A209 PolarHBondContact O-N 3.01Å
210	K	94.8	Very high	95	Very high	138 Å²	138	44.2 Å²	44.2	60%	0.6	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	7.6	178.5	-66	-61.1	-173.9	179	0	113.8	V206 C207 A208 I212 L234	V206-K210 PolarHBondContact O-N 3.01Å; C207-K210 CarbonylContact O-C 3.57Å; C207-K210 PolarHBondContact O-N 3.33Å; A208-K210 PolarHBondContact O-N 2.99Å; A208-K210 VanDerWaalsContact O-N 3.1Å; K210-I212 HydrophobicContact CB-CG1 3.93Å; K210-I212 PolarHBondContact O-N 2.85Å; K210-L234 HydrophobicContact CB-CD1 3.65Å; K210-L234 HydrophobicContact CG-CD1 3.65Å
211	G	95.4	Very high	94.5	Very high	57 Å²	57	46.2 Å²	46.2	59%	0.588	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	25.6	-177.7	0	0	0	0	0	113.8	C207 A208	C207-G211 PolarHBondContact O-N 2.9Å; A208-G211 PolarHBondContact O-N 2.77Å; A208-G211 VanDerWaalsContact O-N 3.15Å
212	I	97.3	Very high	94.2	Very high	22 Å²	22	45.1 Å²	45.1	11%	0.113	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-87.2	142.7	177.1	-57.3	-50.7	0	0	0	109.3	C207 K210 L234 K309 R311	C207-I212 HydrophobicContact CB-CB 3.93Å; C207-I212 HydrophobicContact CB-CG2 4.25Å; C207-I212 PolarHBondContact O-N 2.66Å; K210-I212 HydrophobicContact CB-CG1 3.93Å; K210-I212 PolarHBondContact O-N 2.85Å; I212-L234 HydrophobicContact CG1-CD1 3.86Å; I212-L234 HydrophobicContact CG1-CD2 4.42Å; I212-K309 WeakPolarHBondContact CD1-O 3.3Å; I212-R311 HydrophobicContact CG2-CB 4.2Å; I212-R311 WeakPolarHBondContact CG2-O 3.29Å
213	S	96.5	Very high	93.8	Very high	21 Å²	21	47.3 Å²	47.3	15%	0.147	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-54.5	143.1	177.3	-171.7	0	0	0	0	110.9	R311 Q312 K314	S213-R311 PolarHBondContact N-O 2.96Å; S213-R311 VanDerWaalsContact N-O 3.15Å; S213-R311 VanDerWaalsContact O-CZ 3.3Å; S213-R311 PolarHBondContact O-NH1 3.38Å; S213-R311 PolarHBondContact O-NH2 3.18Å; S213-Q312 WeakPolarHBondContact CB-O 3.32Å; S213-Q312 PolarHBondContact OG-O 2.95Å; S213-K314 WeakPolarHBondContact OG-CG 3.4Å
214	S	96.4	Very high	93.1	Very high	67 Å²	67	50 Å²	50	47%	0.469	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-66.6	161.9	177.7	58.1	0	0	0	0	111.3	N204 R311	N204-S214 WeakPolarHBondContact OD1-CA 3.25Å; N204-S214 VanDerWaalsContact OD1-CB 3.28Å; N204-S214 WeakPolarHBondContact OD1-CB 3.4Å; S214-R311 PolarHBondContact O-NH1 3.09Å
215	L	97.9	Very high	92.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.8	170.1	59.7	78.8	0	0	0	110.1	M203 N204 V217 F232 I315 I317	M203-L215 HydrophobicContact CB-CD1 4.19Å; M203-L215 HydrophobicContact CB-CD2 4.41Å; M203-L215 HydrophobicContact CE-CD1 3.76Å; M203-L215 HydrophobicContact SD-CD1 4.27Å; M203-L215 HydrophobicContact SD-CD2 4.4Å; N204-L215 PolarHBondContact ND2-O 3.1Å; N204-L215 PolarHBondContact OD1-N 2.86Å; N204-L215 PolarHBondContact OD1-O 3.09Å; L215-V217 HydrophobicContact CD1-CG2 4.19Å; L215-F232 HydrophobicContact CD2-CE2 4.08Å; L215-F232 HydrophobicContact CD2-CZ 4.11Å; L215-I315 VanDerWaalsContact CA-O 3.27Å; L215-I315 WeakPolarHBondContact CA-O 3.45Å; L215-I315 HydrophobicContact CB-CD1 3.65Å; L215-I315 HydrophobicContact CB-CG1 3.97Å; L215-I315 HydrophobicContact CD2-CD1 4.14Å; L215-I317 HydrophobicContact CD1-CD1 4.46Å; L215-I317 HydrophobicContact CD2-CD1 4.37Å
216	T	97.6	Very high	92.1	Very high	47 Å²	47	46.3 Å²	46.3	29%	0.288	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.8	170.3	59.6	0	0	0	0	110.9	E200 I315 T316 I317	E200-T216 WeakPolarHBondContact OE2-CA 3.5Å; T216-I315 PolarHBondContact N-O 2.7Å; T216-T316 CarbonylContact O-C 3.51Å; T216-T316 VanDerWaalsContact O-CA 3.31Å; T216-T316 WeakPolarHBondContact O-CA 3.5Å; T216-T316 WeakPolarHBondContact OG1-CB 3.14Å; T216-T316 WeakPolarHBondContact OG1-CG2 3.4Å; T216-T316 PolarHBondContact OG1-OG1 2.85Å; T216-I317 PolarHBondContact O-N 3.31Å
217	V	96.3	Very high	91.5	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132	173.7	-177	0	0	0	0	109	L196 W199 E200 M203 L215 I317 W326	L196-V217 HydrophobicContact CB-CG1 4.25Å; L196-V217 HydrophobicContact CD2-CG1 3.88Å; W199-V217 HydrophobicContact CE3-CG1 3.77Å; W199-V217 HydrophobicContact CE3-CG2 4.08Å; W199-V217 HydrophobicContact CZ3-CG1 3.78Å; W199-V217 HydrophobicContact CZ3-CG2 4.32Å; E200-V217 HydrophobicContact CB-CB 4.21Å; E200-V217 HydrophobicContact CB-CG2 3.88Å; E200-V217 HydrophobicContact CG-CG2 4.41Å; E200-V217 PolarHBondContact OE2-N 3.06Å; M203-V217 HydrophobicContact CE-CG2 3.42Å; M203-V217 VanDerWaalsContact CE-CG2 3.42Å; L215-V217 HydrophobicContact CD1-CG2 4.19Å; V217-I317 VanDerWaalsContact CA-O 3.3Å; V217-I317 WeakPolarHBondContact CA-O 3.46Å; V217-I317 HydrophobicContact CG2-CB 4.45Å; V217-W326 HydrophobicContact CG1-CH2 4.16Å; V217-W326 HydrophobicContact CG1-CZ3 3.98Å
218	E	93.3	Very high	90.4	Very high	42 Å²	42	47.5 Å²	47.5	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.8	176.2	69.4	-176	-155.8	0	0	112.4	F220 T316 I317 F318 R319 W326 K329	E218-F220 HydrophobicContact CB-CD2 4.3Å; E218-F220 HydrophobicContact CB-CE2 3.68Å; E218-F220 HydrophobicContact CB-CZ 3.97Å; E218-F220 HydrophobicContact CG-CD2 4.46Å; E218-F220 HydrophobicContact CG-CE2 4.08Å; E218-T316 HydrophobicContact CB-CG2 4.38Å; E218-T316 HydrophobicContact CG-CG2 3.63Å; E218-I317 PolarHBondContact N-O 3.2Å; E218-F318 HydrophobicContact CG-CB 3.46Å; E218-F318 VanDerWaalsContact CG-CB 3.46Å; E218-F318 CarbonylContact O-C 3.59Å; E218-F318 VanDerWaalsContact O-CA 3.29Å; E218-F318 WeakPolarHBondContact O-CA 3.5Å; E218-F318 WeakPolarHBondContact OE1-CB 3.31Å; E218-R319 PolarHBondContact O-N 3.2Å; E218-W326 WeakPolarHBondContact O-CZ3 3.43Å; E218-K329 WeakPolarHBondContact OE1-CE 3.37Å; E218-K329 IonicContact OE1-NZ 2.84Å; E218-K329 PolarHBondContact OE1-NZ 2.94Å; E218-K329 IonicContact OE2-NZ 3.22Å
219	N	90.3	Very high	89.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	29%	0.288	C	S	.	.			trans	-134.2	117.5	166.2	-170.7	-9.8	0	0	0	108.5	Q192 Q193 L196 V221 D222 E224 R319 W326	Q192-N219 PolarHBondContact NE2-ND2 2.83Å; Q193-N219 PolarHBondContact NE2-O 3.31Å; L196-N219 HydrophobicContact CD1-CB 3.55Å; N219-V221 PolarHBondContact OD1-N 2.76Å; N219-D222 PolarHBondContact ND2-O 3.08Å; N219-D222 PolarHBondContact ND2-OD1 3.24Å; N219-D222 PolarHBondContact OD1-N 2.84Å; N219-D222 PolarHBondContact OD1-O 2.73Å; N219-D222 PolarHBondContact OD1-OD1 2.9Å; N219-E224 PolarHBondContact ND2-O 3.46Å; N219-R319 HydrophobicContact CB-CB 3.97Å; N219-R319 VanDerWaalsContact CG-CB 3.44Å; N219-R319 WeakPolarHBondContact OD1-CB 3.5Å; N219-R319 WeakPolarHBondContact OD1-CG 3.34Å; N219-W326 HydrophobicContact CB-CH2 3.95Å; N219-W326 HydrophobicContact CB-CZ3 4.43Å
220	F	87.4	Confident	89.1	Confident	59 Å²	59	44.2 Å²	44.2	26%	0.259	26%	0.259	S	S	.	.			trans	-123.7	9.7	177.2	-56.9	-53.8	0	0	0	111.8	L137 A141 Y145 E218	L137-F220 HydrophobicContact CD2-CD2 4.16Å; L137-F220 HydrophobicContact CD2-CE2 4.43Å; L137-F220 HydrophobicContact CD2-CG 4.35Å; A141-F220 HydrophobicContact CB-CB 3.95Å; Y145-F220 HydrophobicContact CD1-CE1 4.29Å; Y145-F220 HydrophobicContact CD1-CZ 4.45Å; Y145-F220 AromaticContact CD2-CE1 3.76Å; Y145-F220 HydrophobicContact CD2-CE1 3.76Å; Y145-F220 HydrophobicContact CD2-CZ 4.35Å; Y145-F220 HydrophobicContact CE2-CE1 4.46Å; Y145-F220 AromaticContact CG-CE1 3.65Å; Y145-F220 HydrophobicContact CG-CE1 3.65Å; Y145-F220 HydrophobicContact CG-CZ 4.22Å; E218-F220 HydrophobicContact CB-CD2 4.3Å; E218-F220 HydrophobicContact CB-CE2 3.68Å; E218-F220 HydrophobicContact CB-CZ 3.97Å; E218-F220 HydrophobicContact CG-CD2 4.46Å; E218-F220 HydrophobicContact CG-CE2 4.08Å
221	V	84.9	Confident	88.8	Confident	71 Å²	71	42.6 Å²	42.6	43%	0.43	25%	0.253	S	S	.	.	S	Bend	trans	-106.2	-47.4	-169.7	179	0	0	0	0	110.9	N219 R319 N321	N219-V221 PolarHBondContact OD1-N 2.76Å; V221-R319 HydrophobicContact CB-CB 4.33Å; V221-R319 HydrophobicContact CB-CG 3.85Å; V221-R319 HydrophobicContact CG1-CG 4.49Å; V221-R319 HydrophobicContact CG2-CB 4.22Å; V221-R319 HydrophobicContact CG2-CG 4.17Å; V221-R319 WeakPolarHBondContact CG2-O 3.37Å; V221-N321 HydrophobicContact CG1-CB 4.43Å; V221-N321 HydrophobicContact CG2-CB 4Å
222	D	83.9	Confident	88.8	Confident	57 Å²	57	41.1 Å²	41.1	31%	0.305	23%	0.231	S	C	.	.	S	Bend	trans	-145.1	-175.5	-174.7	59.4	24.9	0	0	0	110.8	Q192 N219 E224 R319	Q192-D222 PolarHBondContact NE2-O 2.93Å; N219-D222 PolarHBondContact ND2-O 3.08Å; N219-D222 PolarHBondContact ND2-OD1 3.24Å; N219-D222 PolarHBondContact OD1-N 2.84Å; N219-D222 PolarHBondContact OD1-O 2.73Å; N219-D222 PolarHBondContact OD1-OD1 2.9Å; D222-E224 VanDerWaalsContact C-N 3.27Å; D222-E224 PolarHBondContact O-N 3.01Å; D222-E224 WeakPolarHBondContact OD1-CB 3.49Å; D222-E224 PolarHBondContact OD1-N 2.87Å; D222-R319 IonicContact OD1-NE 2.73Å; D222-R319 PolarHBondContact OD1-NE 2.94Å; D222-R319 IonicContact OD2-CZ 2.74Å; D222-R319 VanDerWaalsContact OD2-CZ 3.27Å; D222-R319 IonicContact OD2-NE 3.78Å; D222-R319 PolarHBondContact OD2-NE 3.43Å; D222-R319 IonicContact OD2-NH2 3.21Å; D222-R319 PolarHBondContact OD2-NH2 2.65Å
223	D	82.7	Confident	88.8	Confident	96 Å²	96	41.4 Å²	41.4	51%	0.513	23%	0.233	S	C	.	.	S	Bend	trans	-87.6	12.2	179	-65.4	-33.5	0	0	0	112.9	N189 G225	N189-D223 PolarHBondContact OD1-OD1 3.18Å; D223-G225 PolarHBondContact O-N 3.1Å
224	E	82.7	Confident	88.7	Confident	56 Å²	56	42 Å²	42	26%	0.262	23%	0.233	S	C	.	.			trans	-66.5	130.9	-176.7	-169.1	65.7	-149.6	0	0	111.2	Q192 N219 D222 W326	Q192-E224 PolarHBondContact NE2-O 2.83Å; N219-E224 PolarHBondContact ND2-O 3.46Å; D222-E224 VanDerWaalsContact C-N 3.27Å; D222-E224 PolarHBondContact O-N 3.01Å; D222-E224 WeakPolarHBondContact OD1-CB 3.49Å; D222-E224 PolarHBondContact OD1-N 2.87Å; E224-W326 HydrophobicContact CG-CZ2 4.47Å
225	G	83.9	Confident	88.6	Confident	4 Å²	4	45 Å²	45	4%	0.041	24%	0.24	C	C	.	.			trans	-95.2	-169.3	177.4	0	0	0	0	0	113.3	D223 W326	D223-G225 PolarHBondContact O-N 3.1Å; G225-W326 WeakPolarHBondContact O-CZ2 3.45Å
226	P	86.2	Confident	88.4	Confident	13 Å²	13	46.1 Å²	46.1	8%	0.084	25%	0.248	C	C	.	.	S	Bend	trans	-55.3	140.4	171.1	-24.9	35.1	0	0	0	111.9	M195 L196 W199	M195-P226 HydrophobicContact CB-CG 4.2Å; M195-P226 WeakPolarHBondContact O-CG 3.29Å; L196-P226 HydrophobicContact CD2-CG 4.09Å; W199-P226 HydrophobicContact CB-CB 3.92Å; W199-P226 HydrophobicContact CB-CG 3.52Å; W199-P226 HydrophobicContact CD2-CB 3.6Å; W199-P226 HydrophobicContact CD2-CG 3.99Å; W199-P226 HydrophobicContact CE3-CB 3.72Å; W199-P226 HydrophobicContact CE3-CG 3.91Å; W199-P226 HydrophobicContact CG-CB 3.69Å; W199-P226 HydrophobicContact CG-CG 3.86Å; W199-P226 HydrophobicContact CZ3-CB 4.48Å
227	P	84.7	Confident	88.1	Confident	25 Å²	25	46.8 Å²	46.8	16%	0.162	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-54.8	134	176.5	-21.4	29.2	0	0	0	111.8	W199 F230 F392	W199-P227 VanDerWaalsContact CH2-CD 3.43Å; W199-P227 HydrophobicContact CH2-CG 4.09Å; W199-P227 HydrophobicContact CZ2-CG 4.26Å; P227-F230 HydrophobicContact CB-CB 3.96Å; P227-F392 HydrophobicContact CG-CE1 3.68Å; P227-F392 HydrophobicContact CG-CZ 3.96Å
228	P	74.4	Confident	87.8	Confident	56 Å²	56	49.9 Å²	49.9	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	141.9	178.3	27.7	-33.4	0	0	0	110.7	F230	P228-F230 PolarHBondContact O-N 2.82Å
229	S	78.6	Confident	87.3	Confident	70 Å²	70	48.2 Å²	48.2	49%	0.49	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	13.8	177	-50.2	0	0	0	0	116	H231	S229-H231 PolarHBondContact O-CD2 2.88Å
230	F	85.5	Confident	86.6	Confident	21 Å²	21	56.5 Å²	56.5	9%	0.092	30%	0.298	C	S	.	.			trans	-82.1	125.1	173.8	-176.8	-96.8	0	0	0	110.7	W199 P227 P228 F232 Y385 G387 H391 F392	W199-F230 HydrophobicContact CZ2-CD1 4.28Å; P227-F230 HydrophobicContact CB-CB 3.96Å; P228-F230 PolarHBondContact O-N 2.82Å; F230-F232 HydrophobicContact CE1-CD2 4.41Å; F230-Y385 CarbonylContact C-O 3.58Å; F230-G387 WeakPolarHBondContact CZ-O 3.28Å; F230-H391 HydrophobicContact CE2-CB 3.85Å; F230-H391 AromaticContact CE2-CD2 3.91Å; F230-H391 AromaticContact CE2-CG 3.55Å; F230-H391 AromaticContact CE2-ND1 3.68Å; F230-H391 HydrophobicContact CZ-CB 4.03Å; F230-F392 HydrophobicContact CD1-CZ 4.18Å; F230-F392 AromaticContact CE1-CE2 3.91Å; F230-F392 HydrophobicContact CE1-CE2 3.91Å; F230-F392 AromaticContact CE1-CZ 3.91Å; F230-F392 HydrophobicContact CE1-CZ 3.91Å; F230-F392 HydrophobicContact CE2-CZ 4.34Å; F230-F392 AromaticContact CZ-CE2 3.9Å; F230-F392 HydrophobicContact CZ-CE2 3.9Å; F230-F392 AromaticContact CZ-CZ 3.98Å; F230-F392 HydrophobicContact CZ-CZ 3.98Å
231	H	89.8	Confident	86	Confident	103 Å²	103	58.3 Å²	58.3	48%	0.477	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.5	-179.3	-65.3	-77.6	0	0	0	109.9	S229 I233 Y385 F386 G387	S229-H231 PolarHBondContact O-CD2 2.88Å; H231-I233 PolarHBondContact O-N 3.32Å; H231-Y385 WeakPolarHBondContact CB-O 3.48Å; H231-Y385 PolarHBondContact N-O 2.62Å; H231-F386 HydrophobicContact CB-CD1 3.6Å; H231-F386 HydrophobicContact CB-CE1 3.84Å; H231-F386 HydrophobicContact CB-CG 4.48Å; H231-F386 AromaticContact CD2-CE1 3.98Å; H231-F386 WeakPolarHBondContact O-CA 3.44Å; H231-G387 PolarHBondContact O-N 3.35Å; H231-G387 VanDerWaalsContact O-N 3.12Å
232	F	95	Very high	85.5	Confident	26 Å²	26	56.4 Å²	56.4	11%	0.114	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.5	-178.7	-172.1	-98.1	0	0	0	111.8	M203 V206 L215 F230 L234 G387 N388 E389	M203-F232 HydrophobicContact CB-CD1 4.09Å; M203-F232 HydrophobicContact CB-CD2 4.17Å; M203-F232 HydrophobicContact CB-CE1 4.26Å; M203-F232 HydrophobicContact CB-CE2 4.33Å; M203-F232 HydrophobicContact CB-CG 4.04Å; M203-F232 HydrophobicContact CB-CZ 4.38Å; M203-F232 HydrophobicContact CG-CB 3.76Å; M203-F232 HydrophobicContact CG-CD1 4.13Å; M203-F232 HydrophobicContact CG-CD2 3.61Å; M203-F232 HydrophobicContact CG-CE2 4.19Å; M203-F232 HydrophobicContact CG-CG 3.57Å; M203-F232 HydrophobicContact SD-CB 4.48Å; M203-F232 HydrophobicContact SD-CD2 3.52Å; M203-F232 VanDerWaalsContact SD-CD2 3.52Å; M203-F232 HydrophobicContact SD-CE2 3.92Å; M203-F232 HydrophobicContact SD-CG 4.12Å; V206-F232 HydrophobicContact CB-CD1 3.96Å; V206-F232 HydrophobicContact CB-CE1 4.24Å; V206-F232 HydrophobicContact CG1-CD1 4.05Å; V206-F232 HydrophobicContact CG1-CE1 4.25Å; V206-F232 HydrophobicContact CG2-CD1 4.39Å; L215-F232 HydrophobicContact CD2-CE2 4.08Å; L215-F232 HydrophobicContact CD2-CZ 4.11Å; F230-F232 HydrophobicContact CE1-CD2 4.41Å; F232-L234 HydrophobicContact CE1-CD2 3.7Å; F232-L234 HydrophobicContact CE1-CG 4.12Å; F232-L234 HydrophobicContact CZ-CD2 3.91Å; F232-G387 CarbonylContact C-O 3.6Å; F232-G387 VanDerWaalsContact CA-O 3.23Å; F232-G387 WeakPolarHBondContact CA-O 3.3Å; F232-N388 HydrophobicContact CD2-CB 4.43Å; F232-N388 HydrophobicContact CE2-CB 3.83Å; F232-N388 HydrophobicContact CZ-CB 4.14Å; F232-E389 VanDerWaalsContact CE2-OE2 3.27Å; F232-E389 WeakPolarHBondContact CE2-OE2 3.44Å; F232-E389 VanDerWaalsContact CZ-OE2 3.3Å; F232-E389 WeakPolarHBondContact CZ-OE2 3.45Å
233	I	96.3	Very high	84.8	Confident	29 Å²	29	59.2 Å²	59.2	15%	0.149	33%	0.329	C	S	.	.			trans	-133.8	135.8	-179.7	53.4	153.3	0	0	0	112.1	H231 Q235 I237 T344 F386 G387 N388	H231-I233 PolarHBondContact O-N 3.32Å; I233-Q235 WeakPolarHBondContact CD1-O 3.48Å; I233-I237 HydrophobicContact CD1-CG1 4.45Å; I233-I237 HydrophobicContact CD1-CG2 4.48Å; I233-T344 PolarHBondContact O-OG1 3.12Å; I233-F386 HydrophobicContact CD1-CB 3.62Å; I233-F386 HydrophobicContact CG1-CB 3.97Å; I233-F386 HydrophobicContact CG2-CD1 4.34Å; I233-G387 VanDerWaalsContact CG1-N 3.35Å; I233-G387 PolarHBondContact N-O 3.03Å; I233-N388 WeakPolarHBondContact O-CB 3.32Å
234	L	95.6	Very high	84.1	Confident	32 Å²	32	57.6 Å²	57.6	17%	0.168	33%	0.329	C	S	.	.	S	Bend	trans	-90.6	-9.2	179.7	-66.6	175.3	0	0	0	114.2	V206 K210 I212 F232	V206-L234 HydrophobicContact CG1-CD1 3.82Å; V206-L234 HydrophobicContact CG1-CG 3.93Å; K210-L234 HydrophobicContact CB-CD1 3.65Å; K210-L234 HydrophobicContact CG-CD1 3.65Å; I212-L234 HydrophobicContact CG1-CD1 3.86Å; I212-L234 HydrophobicContact CG1-CD2 4.42Å; F232-L234 HydrophobicContact CE1-CD2 3.7Å; F232-L234 HydrophobicContact CE1-CG 4.12Å; F232-L234 HydrophobicContact CZ-CD2 3.91Å
235	Q	93.7	Very high	83.6	Confident	130 Å²	130	56 Å²	56	61%	0.607	32%	0.323	S	S	*	.	S	Bend	trans	-140.3	141.5	179.4	-64.8	-178.3	-0.1	0	0	108.5	I233	I233-Q235 WeakPolarHBondContact CD1-O 3.48Å
236	C	93.8	Very high	82.8	Confident	25 Å²	25	58.9 Å²	58.9	17%	0.169	34%	0.337	C	S	.	.			trans	-58.5	141.7	176.4	-64.4	0	0	0	0	111.7	G345 I347	C236-G345 WeakPolarHBondContact CA-O 3.46Å; C236-G345 WeakPolarHBondContact CB-O 3.4Å; C236-G345 PolarHBondContact SG-N 3.36Å; C236-I347 HydrophobicContact CB-CD1 3.53Å; C236-I347 HydrophobicContact CB-CG1 3.9Å
237	I	91.8	Very high	82.2	Confident	62 Å²	62	63.7 Å²	63.7	32%	0.318	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	163.3	169.6	61.6	172.1	0	0	0	109.3	I233 G345 E346 I347 F386	I233-I237 HydrophobicContact CD1-CG1 4.45Å; I233-I237 HydrophobicContact CD1-CG2 4.48Å; I237-G345 PolarHBondContact N-O 3.28Å; I237-E346 HydrophobicContact CD1-CB 4.4Å; I237-E346 HydrophobicContact CD1-CG 4.4Å; I237-E346 HydrophobicContact CG1-CB 4.04Å; I237-E346 HydrophobicContact CG1-CG 4.11Å; I237-E346 CarbonylContact O-C 3.38Å; I237-I347 PolarHBondContact O-N 2.87Å; I237-F386 HydrophobicContact CD1-CB 4.16Å; I237-F386 HydrophobicContact CD1-CD1 3.74Å; I237-F386 HydrophobicContact CD1-CD2 3.7Å; I237-F386 HydrophobicContact CD1-CE1 4.01Å; I237-F386 HydrophobicContact CD1-CE2 3.97Å; I237-F386 HydrophobicContact CD1-CG 3.59Å; I237-F386 HydrophobicContact CD1-CZ 4.12Å; I237-F386 HydrophobicContact CG1-CG 4.49Å
238	Y	89	Confident	81.5	Confident	69 Å²	69	62.7 Å²	62.7	27%	0.271	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140	178	-61.1	-90.5	0	0	0	108.8	A244 P245 I347	Y238-A244 HydrophobicContact CD2-CB 3.85Å; Y238-A244 HydrophobicContact CE2-CB 3.85Å; Y238-A244 HydrophobicContact CG-CB 4.5Å; Y238-P245 HydrophobicContact CE1-CG 3.8Å; Y238-P245 WeakPolarHBondContact OH-CD 3.21Å; Y238-P245 WeakPolarHBondContact OH-CG 3.31Å; Y238-I347 HydrophobicContact CD1-CB 3.88Å; Y238-I347 HydrophobicContact CD1-CD1 4.05Å; Y238-I347 HydrophobicContact CD1-CG2 3.98Å; Y238-I347 HydrophobicContact CE1-CB 4.1Å; Y238-I347 HydrophobicContact CE1-CD1 3.42Å; Y238-I347 VanDerWaalsContact CE1-CD1 3.42Å; Y238-I347 HydrophobicContact CE1-CG1 4.35Å; Y238-I347 HydrophobicContact CE1-CG2 4.1Å
239	C	83.4	Confident	81.3	Confident	8 Å²	8	65.7 Å²	65.7	5%	0.054	37%	0.372	C	S	.	.			trans	-62.4	155.9	176	80.8	0	0	0	0	111.8	S241 M242 E346 I347 I348	C239-S241 PolarHBondContact O-N 3.04Å; C239-S241 PolarHBondContact SG-OG 3.33Å; C239-M242 HydrophobicContact CB-CE 4.39Å; C239-M242 PolarHBondContact O-N 3.37Å; C239-M242 WeakPolarHBondContact SG-CE 3.37Å; C239-E346 VanDerWaalsContact CA-OE1 3.3Å; C239-E346 WeakPolarHBondContact CA-OE1 3.41Å; C239-E346 HydrophobicContact CB-CG 4.3Å; C239-E346 WeakPolarHBondContact CB-OE1 3.43Å; C239-I347 PolarHBondContact N-O 3.13Å; C239-I347 VanDerWaalsContact N-O 3.08Å; C239-I348 HydrophobicContact CB-CG2 3.97Å
240	D	76.3	Confident	81	Confident	174 Å²	174	65.4 Å²	65.4	93%	0.93	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.2	-173.4	-66.4	-23.4	0	0	0	114.8	M242	D240-M242 PolarHBondContact O-N 3.03Å
241	S	74.8	Confident	80.9	Confident	98 Å²	98	65.2 Å²	65.2	69%	0.685	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-3.7	179.1	71.9	0	0	0	0	113.9	C239	C239-S241 PolarHBondContact O-N 3.04Å; C239-S241 PolarHBondContact SG-OG 3.33Å
242	M	72.8	Confident	80.8	Confident	31 Å²	31	60.3 Å²	60.3	15%	0.153	34%	0.343	C	S	.	.			trans	-121.4	140.3	-175	-67.8	-162.5	-90.1	0	0	112.4	C239 D240 I347 T349 Y379	C239-M242 HydrophobicContact CB-CE 4.39Å; C239-M242 PolarHBondContact O-N 3.37Å; C239-M242 WeakPolarHBondContact SG-CE 3.37Å; D240-M242 PolarHBondContact O-N 3.03Å; M242-I347 HydrophobicContact CE-CG2 4.36Å; M242-I347 WeakPolarHBondContact CE-O 3.34Å; M242-T349 HydrophobicContact CE-CG2 3.87Å; M242-T349 VanDerWaalsContact CE-N 3.3Å; M242-T349 HydrophobicContact CG-CG2 4.24Å; M242-T349 HydrophobicContact SD-CG2 3.65Å; M242-Y379 HydrophobicContact CE-CD1 4.15Å; M242-Y379 HydrophobicContact CE-CE1 4.41Å; M242-Y379 HydrophobicContact SD-CD1 3.6Å; M242-Y379 HydrophobicContact SD-CE1 3.29Å; M242-Y379 WeakPolarHBondContact SD-CE1 3.38Å
243	S	69.2	Low	80.4	Confident	116 Å²	116	68 Å²	68	81%	0.811	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-86.6	141.4	165	-55.9	0	0	0	0	109.1
244	A	69.8	Low	80	Confident	61 Å²	61	66.7 Å²	66.7	50%	0.504	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-54.4	145.5	172.1	0	0	0	0	0	110.6	Y238 I246	Y238-A244 HydrophobicContact CD2-CB 3.85Å; Y238-A244 HydrophobicContact CE2-CB 3.85Å; Y238-A244 HydrophobicContact CG-CB 4.5Å; A244-I246 PolarHBondContact O-N 3Å
245	P	70.8	Confident	79.3	Confident	22 Å²	22	75.9 Å²	75.9	14%	0.143	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-55	135.4	175.4	-24.4	32.4	0	0	0	111.2	Y238 E247 N410 C415 Y462	Y238-P245 HydrophobicContact CE1-CG 3.8Å; Y238-P245 WeakPolarHBondContact OH-CD 3.21Å; Y238-P245 WeakPolarHBondContact OH-CG 3.31Å; P245-E247 PolarHBondContact O-N 2.8Å; P245-N410 HydrophobicContact CB-CB 3.69Å; P245-C415 HydrophobicContact CG-CB 4.29Å; P245-Y462 VanDerWaalsContact C-OH 3.25Å; P245-Y462 WeakPolarHBondContact CA-OH 3.5Å; P245-Y462 HydrophobicContact CB-CE1 4.17Å; P245-Y462 WeakPolarHBondContact CB-OH 3.33Å
246	I	67.8	Low	78.6	Confident	66 Å²	66	71.7 Å²	71.7	34%	0.338	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-64.5	123.8	173.8	-56.9	173.4	0	0	0	109.9	A244 Y462 K465	A244-I246 PolarHBondContact O-N 3Å; I246-Y462 VanDerWaalsContact C-OH 3.3Å; I246-Y462 WeakPolarHBondContact CA-OH 3.27Å; I246-Y462 HydrophobicContact CB-CE1 4.32Å; I246-Y462 HydrophobicContact CB-CE2 4.48Å; I246-Y462 HydrophobicContact CG1-CE1 4.44Å; I246-Y462 PolarHBondContact N-OH 2.79Å; I246-Y462 PolarHBondContact O-OH 3.15Å; I246-K465 HydrophobicContact CD1-CD 3.27Å
247	E	73	Confident	77.8	Confident	113 Å²	113	73.4 Å²	73.4	53%	0.528	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-56.7	141.5	175.1	-61.5	-172.2	163.7	0	0	111.5	P245 Q409	P245-E247 PolarHBondContact O-N 2.8Å; E247-Q409 CarbonylContact C-O 3.54Å; E247-Q409 VanDerWaalsContact CA-O 3.27Å; E247-Q409 WeakPolarHBondContact CA-O 3.39Å; E247-Q409 HydrophobicContact CG-CB 4.36Å; E247-Q409 HydrophobicContact CG-CG 4.49Å
248	T	69.6	Low	77.6	Confident	4 Å²	4	70.5 Å²	70.5	3%	0.025	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70.2	124.7	177.1	44.8	0	0	0	0	109.8	F250 C295 Q409 Y411	T248-F250 HydrophobicContact CG2-CE1 4.23Å; T248-F250 HydrophobicContact CG2-CZ 4.1Å; T248-F250 PolarHBondContact O-N 2.96Å; T248-C295 PolarHBondContact O-SG 2.96Å; T248-Q409 PolarHBondContact N-O 3.14Å; T248-Q409 PolarHBondContact OG1-O 3.18Å; T248-Q409 VanDerWaalsContact OG1-O 3.1Å; T248-Y411 HydrophobicContact CG2-CD1 4.29Å; T248-Y411 HydrophobicContact CG2-CD2 3.79Å; T248-Y411 HydrophobicContact CG2-CG 3.65Å
249	P	71	Confident	77.1	Confident	120 Å²	120	69.7 Å²	69.7	78%	0.779	38%	0.38	S	S	*	.	S	Bend	trans	-79.5	18.2	-173.1	34.4	-37.8	0	0	0	113.3
250	F	73.4	Confident	76.3	Confident	64 Å²	64	74.7 Å²	74.7	28%	0.281	41%	0.407	S	S	.	.			trans	-136.5	145.8	-176.6	54.8	-92.9	0	0	0	110.5	T248 Y411 L454 V458	T248-F250 HydrophobicContact CG2-CE1 4.23Å; T248-F250 HydrophobicContact CG2-CZ 4.1Å; T248-F250 PolarHBondContact O-N 2.96Å; F250-Y411 HydrophobicContact CD2-CE2 4.38Å; F250-Y411 AromaticContact CE2-CD2 3.73Å; F250-Y411 HydrophobicContact CE2-CD2 3.73Å; F250-Y411 AromaticContact CE2-CE2 3.62Å; F250-Y411 HydrophobicContact CE2-CE2 3.62Å; F250-Y411 AromaticContact CZ-CD2 3.91Å; F250-Y411 HydrophobicContact CZ-CD2 3.91Å; F250-Y411 HydrophobicContact CZ-CE2 4.27Å; F250-L454 HydrophobicContact CE2-CD2 3.53Å; F250-L454 HydrophobicContact CE2-CG 4.45Å; F250-L454 HydrophobicContact CZ-CD1 4.34Å; F250-L454 HydrophobicContact CZ-CD2 3.68Å; F250-L454 HydrophobicContact CZ-CG 4.12Å; F250-V458 HydrophobicContact CZ-CG2 4.36Å
251	G	82.8	Confident	75.9	Confident	16 Å²	16	69.9 Å²	69.9	17%	0.165	38%	0.379	C	S	.	.			trans	-143.5	173.8	173.9	0	0	0	0	0	110.5	C295 C296	G251-C295 WeakPolarHBondContact CA-O 3.31Å; G251-C296 WeakPolarHBondContact CA-SG 3.15Å
252	C	87.2	Confident	75.6	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	39%	0.386	C	S	.	.			trans	-69.6	152.5	179.1	72.8	0	0	0	0	111.6	M263 C296 N297	C252-M263 VanDerWaalsContact CB-O 3.27Å; C252-M263 WeakPolarHBondContact CB-O 3.27Å; C252-C296 PolarHBondContact N-SG 2.72Å; C252-N297 PolarHBondContact O-N 3.18Å
253	R	86.7	Confident	75.8	Confident	187 Å²	187	77.4 Å²	77.4	71%	0.706	40%	0.404	S	S	*	.			trans	-99.9	16.5	174.6	-68.5	-168.7	-79.2	-103.9	2.4	113.1
254	C	88.5	Confident	76.6	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.014	37%	0.365	C	S	.	.			trans	-58.2	141	178.5	-65.8	0	0	0	0	111	C258 Q261 N297 C298	C254-C258 VanDerWaalsContact SG-SG 3.66Å; C254-Q261 PolarHBondContact SG-OE1 2.91Å; C254-N297 CarbonylContact O-C 3.57Å; C254-C298 HydrophobicContact CB-CB 4.4Å; C254-C298 PolarHBondContact O-N 3.2Å
255	R	80.8	Confident	77.6	Confident	225 Å²	225	69 Å²	69	85%	0.849	34%	0.341	S	S	*	.	S	Bend	trans	-98	124.8	170.4	-65.2	-175.6	-178.5	-168.6	0.4	108.3	Q261	R255-Q261 PolarHBondContact O-NE2 3.4Å
256	G	78.3	Confident	78.4	Confident	42 Å²	42	68 Å²	68	43%	0.433	34%	0.335	S	S	.	.	S	Bend	trans	76.4	-131	-177.5	0	0	0	0	0	113.1	C298	G256-C298 VanDerWaalsContact O-CB 3.31Å; G256-C298 WeakPolarHBondContact O-CB 3.3Å
257	N	77.6	Confident	79.1	Confident	61 Å²	61	68.2 Å²	68.2	33%	0.326	34%	0.336	S	S	.	.			trans	-85.3	132.4	-178.2	178.6	4.8	0	0	0	111.7	M259 Q261 V303	N257-M259 VanDerWaalsContact C-N 3.31Å; N257-M259 PolarHBondContact O-N 3.21Å; N257-M259 PolarHBondContact OD1-N 2.99Å; N257-Q261 PolarHBondContact O-NE2 3.43Å; N257-V303 WeakPolarHBondContact ND2-CG1 3.27Å; N257-V303 WeakPolarHBondContact OD1-CG2 3.42Å
258	C	87.1	Confident	79.5	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.			trans	-70.4	-9.5	179	-100.7	0	0	0	0	117.1	C254 N260 Q261 C264 F273 C302 N304	C254-C258 VanDerWaalsContact SG-SG 3.66Å; C258-N260 PolarHBondContact O-N 3.32Å; C258-Q261 PolarHBondContact O-N 2.66Å; C258-C264 HydrophobicContact CB-CB 3.75Å; C258-C264 WeakPolarHBondContact CB-SG 3.21Å; C258-C264 WeakPolarHBondContact SG-CB 3.31Å; C258-C264 CovalentContact SG-SG 2.05Å; C258-C264 PolarHBondContact SG-SG 2.89Å; C258-F273 HydrophobicContact CB-CE2 4.05Å; C258-F273 HydrophobicContact CB-CZ 4.45Å; C258-C302 VanDerWaalsContact CB-SG 3.58Å; C258-N304 HydrophobicContact CB-CB 4.34Å
259	M	78.1	Confident	80.2	Confident	52 Å²	52	66.2 Å²	66.2	26%	0.256	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	108.1	-169.4	-175.9	163.8	-74.9	0	0	112.7	N257 Q261 N277 V303	N257-M259 VanDerWaalsContact C-N 3.31Å; N257-M259 PolarHBondContact O-N 3.21Å; N257-M259 PolarHBondContact OD1-N 2.99Å; M259-Q261 PolarHBondContact O-N 2.96Å; M259-Q261 VanDerWaalsContact O-N 3.13Å; M259-N277 HydrophobicContact CE-CB 4.05Å; M259-N277 WeakPolarHBondContact CE-OD1 3.39Å; M259-N277 VanDerWaalsContact SD-CG 3.5Å; M259-N277 PolarHBondContact SD-OD1 3.04Å; M259-V303 HydrophobicContact CB-CG2 4.07Å; M259-V303 HydrophobicContact CE-CB 4.47Å; M259-V303 HydrophobicContact CE-CG2 3.84Å
260	N	66.6	Low	80.8	Confident	114 Å²	114	66.9 Å²	66.9	61%	0.61	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	24.8	-178	-63.7	-23.3	0	0	0	116.2	C258 F273	C258-N260 PolarHBondContact O-N 3.32Å; N260-F273 VanDerWaalsContact OD1-CB 3.24Å; N260-F273 WeakPolarHBondContact OD1-CB 3.32Å
261	Q	67.8	Low	81.4	Confident	73 Å²	73	65.1 Å²	65.1	34%	0.341	32%	0.316	S	S	.	.			trans	-74.5	127.4	169.8	-65.6	-165.1	8.8	0	0	109.9	C254 R255 N257 C258 M259 M263 C264 L267	C254-Q261 PolarHBondContact SG-OE1 2.91Å; R255-Q261 PolarHBondContact O-NE2 3.4Å; N257-Q261 PolarHBondContact O-NE2 3.43Å; C258-Q261 PolarHBondContact O-N 2.66Å; M259-Q261 PolarHBondContact O-N 2.96Å; M259-Q261 VanDerWaalsContact O-N 3.13Å; Q261-M263 PolarHBondContact O-N 3.32Å; Q261-C264 PolarHBondContact O-N 3.2Å; Q261-L267 WeakPolarHBondContact O-CD1 3.22Å
262	E	68.9	Low	81.8	Confident	178 Å²	178	69.6 Å²	69.6	83%	0.832	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-20.2	-172.7	-65.9	-176.5	169.8	0	0	115.4
263	M	76.1	Confident	82	Confident	108 Å²	108	70.4 Å²	70.4	53%	0.532	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	15.7	-177.7	-62.5	-169.6	-72.4	0	0	114.5	C252 Q261	C252-M263 VanDerWaalsContact CB-O 3.27Å; C252-M263 WeakPolarHBondContact CB-O 3.27Å; Q261-M263 PolarHBondContact O-N 3.32Å
264	C	87.8	Confident	82.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-79.8	161.8	177.1	-162.4	0	0	0	0	113	C258 Q261 P266 L267 L268 C292	C258-C264 HydrophobicContact CB-CB 3.75Å; C258-C264 WeakPolarHBondContact CB-SG 3.21Å; C258-C264 WeakPolarHBondContact SG-CB 3.31Å; C258-C264 CovalentContact SG-SG 2.05Å; C258-C264 PolarHBondContact SG-SG 2.89Å; Q261-C264 PolarHBondContact O-N 3.2Å; C264-P266 VanDerWaalsContact C-CD 3.49Å; C264-L267 PolarHBondContact O-N 2.98Å; C264-L268 WeakPolarHBondContact O-CG 3.39Å; C264-L268 PolarHBondContact O-N 2.86Å; C264-C292 PolarHBondContact SG-SG 2.74Å
265	C	88.9	Confident	82.7	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-49.3	-43.9	-174.4	-60.3	0	0	0	0	115.3	L267 L268 M269 C296	C265-L267 PolarHBondContact O-N 3.4Å; C265-L268 PolarHBondContact O-N 2.81Å; C265-M269 VanDerWaalsContact O-CG 3.29Å; C265-M269 WeakPolarHBondContact O-CG 3.38Å; C265-M269 PolarHBondContact O-N 3.19Å; C265-M269 VanDerWaalsContact O-N 3.14Å; C265-C296 PolarHBondContact SG-SG 3.47Å
266	P	88.6	Confident	83.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-45.4	176.1	-23.2	33.4	0	0	0	112.6	C264 M269 E270 V271 F273 P274 Y290 N304	C264-P266 VanDerWaalsContact C-CD 3.49Å; P266-M269 CarbonylContact O-C 3.56Å; P266-M269 WeakPolarHBondContact O-CA 3.46Å; P266-M269 WeakPolarHBondContact O-CB 3.29Å; P266-M269 PolarHBondContact O-N 3.13Å; P266-M269 VanDerWaalsContact O-N 3.08Å; P266-E270 PolarHBondContact O-N 2.86Å; P266-V271 CarbonylContact C-O 3.59Å; P266-V271 HydrophobicContact CB-CG2 4.07Å; P266-V271 WeakPolarHBondContact O-CG2 3.2Å; P266-V271 PolarHBondContact O-N 3.04Å; P266-F273 HydrophobicContact CG-CD2 3.98Å; P266-F273 HydrophobicContact CG-CE2 4.4Å; P266-P274 HydrophobicContact CG-CG 4.47Å; P266-Y290 WeakPolarHBondContact CG-O 3.43Å; P266-N304 WeakPolarHBondContact CD-ND2 3.15Å
267	L	83.4	Confident	84	Confident	72 Å²	72	58 Å²	58	38%	0.377	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-37.4	-179.8	-76.8	136.8	0	0	0	112.5	Q261 C264 C265 M269 E270	Q261-L267 WeakPolarHBondContact O-CD1 3.22Å; C264-L267 PolarHBondContact O-N 2.98Å; C265-L267 PolarHBondContact O-N 3.4Å; L267-M269 PolarHBondContact O-N 3.23Å; L267-E270 WeakPolarHBondContact O-CA 3.47Å; L267-E270 PolarHBondContact O-N 3.32Å
268	L	81.4	Confident	84.8	Confident	74 Å²	74	59.3 Å²	59.3	39%	0.387	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-27.1	171.1	-67.8	175.8	0	0	0	112.3	C264 C265 E270	C264-L268 WeakPolarHBondContact O-CG 3.39Å; C264-L268 PolarHBondContact O-N 2.86Å; C265-L268 PolarHBondContact O-N 2.81Å; L268-E270 VanDerWaalsContact C-N 3.35Å
269	M	83.2	Confident	85.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.3	174.9	-61.9	-54.7	-62.8	0	0	112.9	C265 P266 L267 V271 Y290 Y411 T452 L454 Q455	C265-M269 VanDerWaalsContact O-CG 3.29Å; C265-M269 WeakPolarHBondContact O-CG 3.38Å; C265-M269 PolarHBondContact O-N 3.19Å; C265-M269 VanDerWaalsContact O-N 3.14Å; P266-M269 CarbonylContact O-C 3.56Å; P266-M269 WeakPolarHBondContact O-CA 3.46Å; P266-M269 WeakPolarHBondContact O-CB 3.29Å; P266-M269 PolarHBondContact O-N 3.13Å; P266-M269 VanDerWaalsContact O-N 3.08Å; L267-M269 PolarHBondContact O-N 3.23Å; M269-V271 VanDerWaalsContact C-N 3.3Å; M269-V271 HydrophobicContact CB-CG2 4.41Å; M269-V271 PolarHBondContact O-N 3.48Å; M269-Y290 HydrophobicContact CB-CD1 4.26Å; M269-Y290 HydrophobicContact CB-CD2 3.78Å; M269-Y290 HydrophobicContact CB-CE1 4.3Å; M269-Y290 HydrophobicContact CB-CE2 3.79Å; M269-Y290 HydrophobicContact CB-CG 3.98Å; M269-Y290 HydrophobicContact CE-CD1 4.31Å; M269-Y290 HydrophobicContact CE-CE1 3.58Å; M269-Y290 HydrophobicContact CG-CD1 3.59Å; M269-Y290 HydrophobicContact CG-CD2 4.02Å; M269-Y290 HydrophobicContact CG-CE1 3.8Å; M269-Y290 HydrophobicContact CG-CE2 4.18Å; M269-Y290 HydrophobicContact CG-CG 3.68Å; M269-Y290 HydrophobicContact SD-CD1 4.48Å; M269-Y290 HydrophobicContact SD-CE1 4.3Å; M269-Y411 HydrophobicContact CE-CD2 4.35Å; M269-Y411 HydrophobicContact CG-CE2 4.41Å; M269-Y411 HydrophobicContact SD-CD2 3.76Å; M269-Y411 HydrophobicContact SD-CE2 4.07Å; M269-T452 WeakPolarHBondContact O-CG2 3.1Å; M269-L454 HydrophobicContact CE-CB 4.06Å; M269-L454 HydrophobicContact CE-CD2 4.3Å; M269-L454 HydrophobicContact CE-CG 4.41Å; M269-L454 HydrophobicContact SD-CB 3.98Å; M269-L454 HydrophobicContact SD-CD2 3.24Å; M269-L454 WeakPolarHBondContact SD-CD2 3.33Å; M269-L454 HydrophobicContact SD-CG 3.95Å; M269-Q455 HydrophobicContact CE-CG 3.52Å
270	E	84.6	Confident	86.1	Confident	134 Å²	134	58.2 Å²	58.2	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	36.4	-178.6	-55.4	168.6	-155	0	0	112.9	P266 L267 L268	P266-E270 PolarHBondContact O-N 2.86Å; L267-E270 WeakPolarHBondContact O-CA 3.47Å; L267-E270 PolarHBondContact O-N 3.32Å; L268-E270 VanDerWaalsContact C-N 3.35Å
271	V	86.3	Confident	87.6	Confident	28 Å²	28	54 Å²	54	17%	0.17	27%	0.274	C	S	.	.			trans	-127.6	161.5	177.4	-52.3	0	0	0	0	112.8	P266 M269 P288 Y290 T452	P266-V271 CarbonylContact C-O 3.59Å; P266-V271 HydrophobicContact CB-CG2 4.07Å; P266-V271 WeakPolarHBondContact O-CG2 3.2Å; P266-V271 PolarHBondContact O-N 3.04Å; M269-V271 VanDerWaalsContact C-N 3.3Å; M269-V271 HydrophobicContact CB-CG2 4.41Å; M269-V271 PolarHBondContact O-N 3.48Å; V271-P288 HydrophobicContact CB-CG 4.48Å; V271-P288 HydrophobicContact CG1-CG 3.87Å; V271-Y290 HydrophobicContact CG1-CE2 4.19Å; V271-Y290 HydrophobicContact CG2-CD2 3.56Å; V271-Y290 HydrophobicContact CG2-CE2 3.96Å; V271-T452 HydrophobicContact CG1-CG2 4.41Å
272	E	89.4	Confident	88.8	Confident	110 Å²	110	53.1 Å²	53.1	51%	0.514	28%	0.279	S	S	.	.			trans	-63.2	147.6	179.4	-64	170.6	-98	0	0	111.7	I283 R287	E272-I283 HydrophobicContact CB-CG2 3.87Å; E272-R287 IonicContact OE1-CZ 3.11Å; E272-R287 IonicContact OE1-NE 3.8Å; E272-R287 IonicContact OE1-NH1 3.01Å
273	F	92.8	Very high	90	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.075	24%	0.244	C	C	.	.			trans	-67.2	125.5	175.6	-165.5	-86	0	0	0	109.8	C258 N260 P266 Y275 V303 N304	C258-F273 HydrophobicContact CB-CE2 4.05Å; C258-F273 HydrophobicContact CB-CZ 4.45Å; N260-F273 VanDerWaalsContact OD1-CB 3.24Å; N260-F273 WeakPolarHBondContact OD1-CB 3.32Å; P266-F273 HydrophobicContact CG-CD2 3.98Å; P266-F273 HydrophobicContact CG-CE2 4.4Å; F273-Y275 VanDerWaalsContact CD1-O 3.27Å; F273-Y275 WeakPolarHBondContact CD1-O 3.45Å; F273-Y275 VanDerWaalsContact CE1-O 3.29Å; F273-Y275 WeakPolarHBondContact CE1-O 3.43Å; F273-Y275 PolarHBondContact O-N 2.8Å; F273-V303 HydrophobicContact CE1-CG2 3.9Å; F273-V303 HydrophobicContact CZ-CG2 3.65Å; F273-N304 HydrophobicContact CE2-CB 4.02Å; F273-N304 HydrophobicContact CZ-CB 3.76Å
274	P	94.7	Very high	90.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.			trans	-80.1	-20.4	-162.9	28.6	-35.5	0	0	0	115	P266 L281 A282 I283 I289 N304	P266-P274 HydrophobicContact CG-CG 4.47Å; P274-L281 WeakPolarHBondContact O-CA 3.41Å; P274-A282 PolarHBondContact O-N 2.68Å; P274-I283 HydrophobicContact CB-CD1 3.95Å; P274-I283 HydrophobicContact CB-CG1 4.45Å; P274-I289 HydrophobicContact CB-CB 4.41Å; P274-I289 HydrophobicContact CB-CG1 4Å; P274-I289 HydrophobicContact CB-CG2 3.95Å; P274-I289 HydrophobicContact CG-CG2 4.01Å; P274-N304 VanDerWaalsContact CG-OD1 3.3Å; P274-N304 WeakPolarHBondContact CG-OD1 3.4Å
275	Y	95.6	Very high	90.5	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.016	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-128.1	145.5	-166.8	-51.1	-55.8	0	0	0	114.7	F273 T280 L281 I289 E291 V303 V306 F421	F273-Y275 VanDerWaalsContact CD1-O 3.27Å; F273-Y275 WeakPolarHBondContact CD1-O 3.45Å; F273-Y275 VanDerWaalsContact CE1-O 3.29Å; F273-Y275 WeakPolarHBondContact CE1-O 3.43Å; F273-Y275 PolarHBondContact O-N 2.8Å; Y275-T280 CarbonylContact C-O 3.59Å; Y275-T280 VanDerWaalsContact CA-O 3.3Å; Y275-T280 WeakPolarHBondContact CA-O 3.38Å; Y275-L281 HydrophobicContact CD1-CD2 4.07Å; Y275-L281 HydrophobicContact CE1-CD2 3.8Å; Y275-I289 HydrophobicContact CE1-CD1 4.34Å; Y275-I289 HydrophobicContact CE2-CG2 4.38Å; Y275-I289 VanDerWaalsContact OH-CG2 3.31Å; Y275-I289 WeakPolarHBondContact OH-CG2 3.37Å; Y275-E291 HydrophobicContact CE2-CG 4.02Å; Y275-E291 VanDerWaalsContact CE2-OE1 3.29Å; Y275-E291 WeakPolarHBondContact CE2-OE1 3.33Å; Y275-E291 VanDerWaalsContact CZ-OE1 3.29Å; Y275-E291 PolarHBondContact OH-OE1 2.88Å; Y275-V303 WeakPolarHBondContact CD2-O 3.45Å; Y275-V306 HydrophobicContact CD1-CG2 4.08Å; Y275-V306 HydrophobicContact CD2-CB 4.31Å; Y275-V306 HydrophobicContact CD2-CG2 3.57Å; Y275-V306 HydrophobicContact CE1-CB 4.14Å; Y275-V306 HydrophobicContact CE1-CG1 4.48Å; Y275-V306 HydrophobicContact CE1-CG2 4.15Å; Y275-V306 HydrophobicContact CE2-CB 3.83Å; Y275-V306 HydrophobicContact CE2-CG2 3.61Å; Y275-V306 HydrophobicContact CG-CG2 3.81Å; Y275-F421 AromaticContact CE1-CE1 3.89Å; Y275-F421 HydrophobicContact CE1-CE1 3.89Å; Y275-F421 AromaticContact CE1-CZ 3.86Å; Y275-F421 HydrophobicContact CE1-CZ 3.86Å
276	N	94.3	Very high	90.2	Very high	69 Å²	69	48 Å²	48	37%	0.369	27%	0.272	S	S	.	.			trans	-75.8	175.2	165.2	-64.3	-51.3	0	0	0	111.3	D278 G279 T280 L281	N276-D278 WeakPolarHBondContact CB-OD1 3.29Å; N276-D278 PolarHBondContact O-N 2.81Å; N276-G279 PolarHBondContact O-N 3.39Å; N276-T280 PolarHBondContact N-O 3.17Å; N276-T280 PolarHBondContact ND2-O 3.36Å; N276-T280 PolarHBondContact ND2-OG1 2.81Å; N276-L281 PolarHBondContact ND2-O 2.79Å
277	N	91.8	Very high	90.1	Very high	123 Å²	123	54.2 Å²	54.2	66%	0.658	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.1	-179.4	-86	-49	0	0	0	113.5	M259 G279	M259-N277 HydrophobicContact CE-CB 4.05Å; M259-N277 WeakPolarHBondContact CE-OD1 3.39Å; M259-N277 VanDerWaalsContact SD-CG 3.5Å; M259-N277 PolarHBondContact SD-OD1 3.04Å; N277-G279 VanDerWaalsContact C-N 3.31Å
278	D	93.8	Very high	90.4	Very high	89 Å²	89	51.5 Å²	51.5	48%	0.476	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	5.7	178.6	66.4	-8	0	0	0	113.1	N276 T280 K335	N276-D278 WeakPolarHBondContact CB-OD1 3.29Å; N276-D278 PolarHBondContact O-N 2.81Å; D278-T280 VanDerWaalsContact C-N 3.28Å; D278-T280 PolarHBondContact O-N 2.82Å; D278-T280 WeakPolarHBondContact OD1-CB 3.06Å; D278-T280 WeakPolarHBondContact OD1-CG2 3.47Å; D278-T280 PolarHBondContact OD1-N 3.47Å; D278-T280 VanDerWaalsContact OD1-N 3.14Å; D278-T280 PolarHBondContact OD1-OG1 3.34Å; D278-K335 IonicContact OD2-NZ 3.88Å; D278-K335 PolarHBondContact OD2-NZ 2.83Å
279	G	95.2	Very high	91	Very high	18 Å²	18	48 Å²	48	19%	0.186	26%	0.264	C	S	.	.	S	Bend	trans	79.5	3.8	-179.3	0	0	0	0	0	114.8	N276 N277	N276-G279 PolarHBondContact O-N 3.39Å; N277-G279 VanDerWaalsContact C-N 3.31Å
280	T	97.6	Very high	91.4	Very high	11 Å²	11	48 Å²	48	7%	0.067	26%	0.264	C	S	.	.			trans	-75.9	154	172.2	61.3	0	0	0	0	111.5	Y275 N276 D278 A282 K335 G337 A338	Y275-T280 CarbonylContact C-O 3.59Å; Y275-T280 VanDerWaalsContact CA-O 3.3Å; Y275-T280 WeakPolarHBondContact CA-O 3.38Å; N276-T280 PolarHBondContact N-O 3.17Å; N276-T280 PolarHBondContact ND2-O 3.36Å; N276-T280 PolarHBondContact ND2-OG1 2.81Å; D278-T280 VanDerWaalsContact C-N 3.28Å; D278-T280 PolarHBondContact O-N 2.82Å; D278-T280 WeakPolarHBondContact OD1-CB 3.06Å; D278-T280 WeakPolarHBondContact OD1-CG2 3.47Å; D278-T280 PolarHBondContact OD1-N 3.47Å; D278-T280 VanDerWaalsContact OD1-N 3.14Å; D278-T280 PolarHBondContact OD1-OG1 3.34Å; T280-A282 PolarHBondContact O-N 3.25Å; T280-K335 HydrophobicContact CG2-CD 4.22Å; T280-G337 CarbonylContact C-O 3.56Å; T280-G337 VanDerWaalsContact CA-O 3.3Å; T280-G337 WeakPolarHBondContact CA-O 3.27Å; T280-A338 HydrophobicContact CG2-CB 4.48Å
281	L	96.9	Very high	91.9	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.131	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-60.7	133.8	176.7	-73	172	0	0	0	112.6	P274 Y275 N276 I283 I289 G337 F404 F421	P274-L281 WeakPolarHBondContact O-CA 3.41Å; Y275-L281 HydrophobicContact CD1-CD2 4.07Å; Y275-L281 HydrophobicContact CE1-CD2 3.8Å; N276-L281 PolarHBondContact ND2-O 2.79Å; L281-I283 HydrophobicContact CD2-CD1 4.47Å; L281-I283 HydrophobicContact CD2-CG1 4.03Å; L281-I289 HydrophobicContact CD2-CD1 3.66Å; L281-G337 PolarHBondContact N-O 2.84Å; L281-F404 HydrophobicContact CD1-CD2 3.88Å; L281-F404 HydrophobicContact CD1-CE1 4.18Å; L281-F404 HydrophobicContact CD1-CE2 3.3Å; L281-F404 HydrophobicContact CD1-CZ 3.47Å; L281-F404 VanDerWaalsContact CD1-CZ 3.47Å; L281-F421 HydrophobicContact CD1-CB 3.49Å; L281-F421 VanDerWaalsContact CD1-CB 3.49Å; L281-F421 HydrophobicContact CD1-CD1 3.59Å; L281-F421 HydrophobicContact CD1-CD2 3.93Å; L281-F421 HydrophobicContact CD1-CE1 4.24Å; L281-F421 HydrophobicContact CD1-CG 3.4Å; L281-F421 VanDerWaalsContact CD1-CG 3.4Å; L281-F421 HydrophobicContact CD2-CD1 4.04Å; L281-F421 HydrophobicContact CD2-CE1 3.83Å; L281-F421 HydrophobicContact CD2-CE2 4.35Å; L281-F421 HydrophobicContact CD2-CG 4.39Å; L281-F421 HydrophobicContact CD2-CZ 4Å; L281-F421 HydrophobicContact CG-CB 4.34Å; L281-F421 HydrophobicContact CG-CD1 3.5Å; L281-F421 HydrophobicContact CG-CD2 4.47Å; L281-F421 HydrophobicContact CG-CE1 3.78Å; L281-F421 HydrophobicContact CG-CG 3.88Å; L281-F421 HydrophobicContact CG-CZ 4.38Å
282	A	94.3	Very high	92.2	Very high	54 Å²	54	40.3 Å²	40.3	45%	0.446	23%	0.226	S	C	.	.			trans	-103.7	-2.4	169.8	0	0	0	0	0	112.6	P274 T280	P274-A282 PolarHBondContact O-N 2.68Å; T280-A282 PolarHBondContact O-N 3.25Å
283	I	93.1	Very high	92.3	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.082	20%	0.202	C	C	.	.	S	Bend	trans	-114.4	153.2	-176.6	59.7	172.1	0	0	0	111.8	E272 P274 L281 R287 I289 F404	E272-I283 HydrophobicContact CB-CG2 3.87Å; P274-I283 HydrophobicContact CB-CD1 3.95Å; P274-I283 HydrophobicContact CB-CG1 4.45Å; L281-I283 HydrophobicContact CD2-CD1 4.47Å; L281-I283 HydrophobicContact CD2-CG1 4.03Å; I283-R287 HydrophobicContact CB-CB 4.31Å; I283-R287 HydrophobicContact CD1-CB 3.94Å; I283-I289 HydrophobicContact CD1-CD1 4.23Å; I283-I289 HydrophobicContact CD1-CG1 3.6Å; I283-F404 HydrophobicContact CD1-CD1 4.36Å; I283-F404 HydrophobicContact CD1-CE1 4.11Å; I283-F404 HydrophobicContact CG1-CE1 4.13Å
284	C	89	Confident	92.1	Very high	90 Å²	90	37.7 Å²	37.7	61%	0.608	22%	0.222	S	C	*	.			trans	-75.9	157.1	175	-69	0	0	0	0	112.2	R287 F404	C284-R287 WeakPolarHBondContact O-CB 3.44Å; C284-R287 VanDerWaalsContact O-CG 3.31Å; C284-R287 WeakPolarHBondContact O-CG 3.43Å; C284-R287 PolarHBondContact O-N 2.81Å; C284-F404 WeakPolarHBondContact O-CE1 3.36Å
285	P	86.3	Confident	91.8	Very high	63 Å²	63	40 Å²	40	41%	0.409	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	150.8	170.1	-24	34.7	0	0	0	112.6	R287 Q402 F404	P285-R287 VanDerWaalsContact C-N 3.29Å; P285-Q402 HydrophobicContact CB-CG 3.93Å; P285-Q402 HydrophobicContact CG-CG 3.85Å; P285-F404 HydrophobicContact CB-CZ 4.24Å; P285-F404 HydrophobicContact CG-CZ 4.23Å
286	G	82.5	Confident	91.5	Very high	11 Å²	11	40.5 Å²	40.5	11%	0.113	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	9.5	-175.7	0	0	0	0	0	114.3	L449	G286-L449 WeakPolarHBondContact O-CD2 3.13Å
287	R	87.1	Confident	91.3	Very high	131 Å²	131	42.9 Å²	42.9	49%	0.494	25%	0.254	S	S	.	.			trans	-103.5	140.6	170.3	-61.9	-62.8	-174.8	151.5	5.8	110.3	E272 I283 C284 P285 F404	E272-R287 IonicContact OE1-CZ 3.11Å; E272-R287 IonicContact OE1-NE 3.8Å; E272-R287 IonicContact OE1-NH1 3.01Å; I283-R287 HydrophobicContact CB-CB 4.31Å; I283-R287 HydrophobicContact CD1-CB 3.94Å; C284-R287 WeakPolarHBondContact O-CB 3.44Å; C284-R287 VanDerWaalsContact O-CG 3.31Å; C284-R287 WeakPolarHBondContact O-CG 3.43Å; C284-R287 PolarHBondContact O-N 2.81Å; P285-R287 VanDerWaalsContact C-N 3.29Å; R287-F404 WeakPolarHBondContact O-CD1 3.27Å
288	P	88.9	Confident	91.3	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.091	23%	0.225	C	C	.	.			trans	-76.4	150.6	179	31.9	-31.9	0	0	0	111.1	V271 Y290 W407 L449	V271-P288 HydrophobicContact CB-CG 4.48Å; V271-P288 HydrophobicContact CG1-CG 3.87Å; P288-Y290 HydrophobicContact CB-CE2 3.88Å; P288-Y290 HydrophobicContact CG-CE2 4.03Å; P288-W407 HydrophobicContact CB-CE3 4.2Å; P288-W407 HydrophobicContact CB-CH2 4.48Å; P288-W407 HydrophobicContact CB-CZ3 3.57Å; P288-L449 HydrophobicContact CB-CD1 3.92Å; P288-L449 HydrophobicContact CG-CD1 4.48Å; P288-L449 HydrophobicContact CG-CD2 4.34Å
289	I	93.2	Very high	91.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.8	174.2	-63.9	177	0	0	0	109.3	P274 Y275 L281 I283 E291 F404 A405 V406 W407 F421	P274-I289 HydrophobicContact CB-CB 4.41Å; P274-I289 HydrophobicContact CB-CG1 4Å; P274-I289 HydrophobicContact CB-CG2 3.95Å; P274-I289 HydrophobicContact CG-CG2 4.01Å; Y275-I289 HydrophobicContact CE1-CD1 4.34Å; Y275-I289 HydrophobicContact CE2-CG2 4.38Å; Y275-I289 VanDerWaalsContact OH-CG2 3.31Å; Y275-I289 WeakPolarHBondContact OH-CG2 3.37Å; L281-I289 HydrophobicContact CD2-CD1 3.66Å; I283-I289 HydrophobicContact CD1-CD1 4.23Å; I283-I289 HydrophobicContact CD1-CG1 3.6Å; I289-E291 HydrophobicContact CG2-CG 4.08Å; I289-F404 HydrophobicContact CD1-CB 3.8Å; I289-F404 HydrophobicContact CD1-CD1 3.81Å; I289-F404 HydrophobicContact CD1-CG 3.95Å; I289-F404 HydrophobicContact CG1-CD1 4.18Å; I289-A405 PolarHBondContact N-O 2.76Å; I289-V406 HydrophobicContact CB-CB 4.4Å; I289-V406 HydrophobicContact CB-CG1 4.23Å; I289-V406 HydrophobicContact CB-CG2 4.07Å; I289-V406 HydrophobicContact CD1-CG2 4.21Å; I289-V406 HydrophobicContact CG2-CG1 3.87Å; I289-V406 HydrophobicContact CG2-CG2 4.36Å; I289-V406 WeakPolarHBondContact O-CA 3.29Å; I289-W407 PolarHBondContact O-N 2.93Å; I289-F421 HydrophobicContact CD1-CE2 3.84Å; I289-F421 HydrophobicContact CD1-CZ 3.97Å
290	Y	92.3	Very high	91	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.5	170.1	-65.7	-91.2	0	0	0	110.3	P266 M269 V271 P288 N304 W407 Y411 Q455	P266-Y290 WeakPolarHBondContact CG-O 3.43Å; M269-Y290 HydrophobicContact CB-CD1 4.26Å; M269-Y290 HydrophobicContact CB-CD2 3.78Å; M269-Y290 HydrophobicContact CB-CE1 4.3Å; M269-Y290 HydrophobicContact CB-CE2 3.79Å; M269-Y290 HydrophobicContact CB-CG 3.98Å; M269-Y290 HydrophobicContact CE-CD1 4.31Å; M269-Y290 HydrophobicContact CE-CE1 3.58Å; M269-Y290 HydrophobicContact CG-CD1 3.59Å; M269-Y290 HydrophobicContact CG-CD2 4.02Å; M269-Y290 HydrophobicContact CG-CE1 3.8Å; M269-Y290 HydrophobicContact CG-CE2 4.18Å; M269-Y290 HydrophobicContact CG-CG 3.68Å; M269-Y290 HydrophobicContact SD-CD1 4.48Å; M269-Y290 HydrophobicContact SD-CE1 4.3Å; V271-Y290 HydrophobicContact CG1-CE2 4.19Å; V271-Y290 HydrophobicContact CG2-CD2 3.56Å; V271-Y290 HydrophobicContact CG2-CE2 3.96Å; P288-Y290 HydrophobicContact CB-CE2 3.88Å; P288-Y290 HydrophobicContact CG-CE2 4.03Å; Y290-N304 PolarHBondContact O-ND2 3.1Å; Y290-N304 PolarHBondContact O-OD1 3.43Å; Y290-W407 WeakPolarHBondContact CA-O 3.04Å; Y290-W407 HydrophobicContact CD1-CB 3.57Å; Y290-W407 HydrophobicContact CD1-CG 4.29Å; Y290-W407 HydrophobicContact CE1-CB 3.72Å; Y290-W407 HydrophobicContact CE1-CD2 4.06Å; Y290-W407 HydrophobicContact CE1-CE3 4.09Å; Y290-W407 AromaticContact CE1-CG 3.94Å; Y290-W407 HydrophobicContact CE1-CG 3.94Å; Y290-W407 HydrophobicContact CE2-CE3 4.46Å; Y290-W407 HydrophobicContact CG-CB 4.49Å; Y290-Y411 HydrophobicContact CD1-CD1 4.03Å; Y290-Y411 HydrophobicContact CD1-CE1 4.1Å; Y290-Y411 HydrophobicContact CD1-CG 4.27Å; Y290-Y411 HydrophobicContact CE1-CD1 4.42Å; Y290-Y411 HydrophobicContact CE1-CG 4.33Å; Y290-Q455 PolarHBondContact OH-NE2 3.26Å
291	E	94.7	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.269	C	S	.	.			trans	-82.8	161.6	175.8	-67.3	-155.4	163.4	0	0	111.8	Y275 I289 N304 V306 V307 Q308 V406 W407 I408 Y411	Y275-E291 HydrophobicContact CE2-CG 4.02Å; Y275-E291 VanDerWaalsContact CE2-OE1 3.29Å; Y275-E291 WeakPolarHBondContact CE2-OE1 3.33Å; Y275-E291 VanDerWaalsContact CZ-OE1 3.29Å; Y275-E291 PolarHBondContact OH-OE1 2.88Å; I289-E291 HydrophobicContact CG2-CG 4.08Å; E291-N304 WeakPolarHBondContact CA-ND2 3.35Å; E291-N304 WeakPolarHBondContact CA-O 3.23Å; E291-N304 VanDerWaalsContact CB-O 3.25Å; E291-N304 WeakPolarHBondContact CB-O 3.29Å; E291-V306 VanDerWaalsContact CD-N 3.33Å; E291-V306 WeakPolarHBondContact OE1-CA 3.34Å; E291-V306 WeakPolarHBondContact OE1-CB 3.08Å; E291-V306 PolarHBondContact OE1-N 3.23Å; E291-V306 PolarHBondContact OE2-N 3.46Å; E291-V307 PolarHBondContact OE1-N 3.47Å; E291-V307 PolarHBondContact OE2-N 3.02Å; E291-Q308 WeakPolarHBondContact OE2-CG 3.35Å; E291-Q308 PolarHBondContact OE2-N 2.76Å; E291-Q308 PolarHBondContact OE2-NE2 2.93Å; E291-V406 HydrophobicContact CG-CG1 4.18Å; E291-W407 PolarHBondContact N-O 3.08Å; E291-I408 HydrophobicContact CB-CB 4.39Å; E291-I408 HydrophobicContact CB-CD1 4.2Å; E291-I408 HydrophobicContact CB-CG1 3.99Å; E291-I408 HydrophobicContact CB-CG2 3.94Å; E291-I408 HydrophobicContact CG-CD1 4.34Å; E291-I408 HydrophobicContact CG-CG1 4.42Å; E291-Y411 PolarHBondContact O-OH 3.1Å
292	C	93	Very high	90.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.263	C	S	.	.			trans	-68.4	141.3	169.4	-70.7	0	0	0	0	110.4	C264 C296 N304 R305 Q308 I408	C264-C292 PolarHBondContact SG-SG 2.74Å; C292-C296 HydrophobicContact CB-CB 4.21Å; C292-N304 PolarHBondContact N-ND2 2.85Å; C292-N304 VanDerWaalsContact N-ND2 3.14Å; C292-N304 PolarHBondContact N-O 2.97Å; C292-N304 PolarHBondContact SG-ND2 2.54Å; C292-R305 HydrophobicContact CB-CG 4.13Å; C292-R305 PolarHBondContact O-NH1 3.41Å; C292-Q308 PolarHBondContact O-NE2 2.83Å; C292-Q308 PolarHBondContact O-OE1 3.03Å; C292-I408 WeakPolarHBondContact O-CG2 3.22Å
293	S	91.6	Very high	90.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	25%	0.248	C	C	.	.			trans	-101.7	179.2	178.2	76.1	0	0	0	0	112.4	C295 C296 R305 I408	S293-C295 PolarHBondContact O-N 3.32Å; S293-C295 PolarHBondContact OG-N 2.9Å; S293-C295 VanDerWaalsContact OG-N 3.13Å; S293-C296 PolarHBondContact N-SG 2.91Å; S293-C296 WeakPolarHBondContact O-CB 3.42Å; S293-C296 PolarHBondContact O-N 3.04Å; S293-C296 PolarHBondContact O-SG 3.4Å; S293-R305 PolarHBondContact O-NH1 3.36Å; S293-R305 PolarHBondContact O-NH2 3.42Å; S293-I408 WeakPolarHBondContact CB-O 2.87Å
294	S	89.3	Confident	90.5	Very high	72 Å²	72	43.1 Å²	43.1	50%	0.503	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16	170.4	45.3	0	0	0	0	113.3	C296 Q409	S294-C296 VanDerWaalsContact C-N 3.26Å; S294-C296 PolarHBondContact O-N 3.28Å; S294-Q409 PolarHBondContact OG-NE2 3.14Å
295	C	87.9	Confident	90.8	Very high	49 Å²	49	39 Å²	39	33%	0.331	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.1	174.9	-57	0	0	0	0	113.2	T248 G251 S293	T248-C295 PolarHBondContact O-SG 2.96Å; G251-C295 WeakPolarHBondContact CA-O 3.31Å; S293-C295 PolarHBondContact O-N 3.32Å; S293-C295 PolarHBondContact OG-N 2.9Å; S293-C295 VanDerWaalsContact OG-N 3.13Å
296	C	89.7	Confident	91.3	Very high	14 Å²	14	37 Å²	37	10%	0.095	20%	0.203	C	C	.	.			trans	-92.2	147.6	-179.3	-60.1	0	0	0	0	111.8	G251 C252 C265 C292 S293 S294 C298	G251-C296 WeakPolarHBondContact CA-SG 3.15Å; C252-C296 PolarHBondContact N-SG 2.72Å; C265-C296 PolarHBondContact SG-SG 3.47Å; C292-C296 HydrophobicContact CB-CB 4.21Å; S293-C296 PolarHBondContact N-SG 2.91Å; S293-C296 WeakPolarHBondContact O-CB 3.42Å; S293-C296 PolarHBondContact O-N 3.04Å; S293-C296 PolarHBondContact O-SG 3.4Å; S294-C296 VanDerWaalsContact C-N 3.26Å; S294-C296 PolarHBondContact O-N 3.28Å; C296-C298 VanDerWaalsContact C-N 3.35Å
297	N	90	Very high	92	Very high	119 Å²	119	36.5 Å²	36.5	64%	0.636	20%	0.198	S	C	*	.	S	Bend	trans	-83.5	-9.9	176.5	-69.6	1.1	0	0	0	113.7	C252 C254	C252-N297 PolarHBondContact O-N 3.18Å; C254-N297 CarbonylContact O-C 3.57Å
298	C	91.5	Very high	92.4	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.041	19%	0.186	C	C	.	.	S	Bend	trans	-68.5	157.6	175.7	64.1	0	0	0	0	111	C254 G256 C296 C302	C254-C298 HydrophobicContact CB-CB 4.4Å; C254-C298 PolarHBondContact O-N 3.2Å; G256-C298 VanDerWaalsContact O-CB 3.31Å; G256-C298 WeakPolarHBondContact O-CB 3.3Å; C296-C298 VanDerWaalsContact C-N 3.35Å; C298-C302 HydrophobicContact CB-CB 4.2Å
299	S	91.4	Very high	92.7	Very high	50 Å²	50	36.4 Å²	36.4	35%	0.35	20%	0.2	S	C	.	.			trans	-62.3	162.8	-178.6	61.5	0	0	0	0	113.4	D301 C302 R305	S299-D301 PolarHBondContact O-N 3.18Å; S299-C302 WeakPolarHBondContact O-CB 3.45Å; S299-C302 PolarHBondContact O-N 3.16Å; S299-C302 VanDerWaalsContact O-N 3.14Å; S299-C302 PolarHBondContact OG-N 2.95Å; S299-R305 PolarHBondContact O-NE 3.1Å
300	E	90.3	Very high	92.9	Very high	127 Å²	127	37.1 Å²	37.1	59%	0.593	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.5	169	-65.5	-57.3	151.5	0	0	112.2	C302 R305	E300-C302 PolarHBondContact O-N 2.87Å; E300-R305 VanDerWaalsContact O-CD 3.26Å; E300-R305 WeakPolarHBondContact O-CD 3.46Å; E300-R305 IonicContact OE2-CZ 2.87Å
301	D	90.9	Very high	93.1	Very high	134 Å²	134	37.4 Å²	37.4	72%	0.717	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	7.7	173.8	-59.6	-48.4	0	0	0	113.6	S299 V303	S299-D301 PolarHBondContact O-N 3.18Å; D301-V303 PolarHBondContact O-N 2.93Å
302	C	92.9	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.			trans	-52.2	134.6	177.2	176.1	0	0	0	0	111.1	C258 C298 S299 E300 N304 R305	C258-C302 VanDerWaalsContact CB-SG 3.58Å; C298-C302 HydrophobicContact CB-CB 4.2Å; S299-C302 WeakPolarHBondContact O-CB 3.45Å; S299-C302 PolarHBondContact O-N 3.16Å; S299-C302 VanDerWaalsContact O-N 3.14Å; S299-C302 PolarHBondContact OG-N 2.95Å; E300-C302 PolarHBondContact O-N 2.87Å; C302-N304 PolarHBondContact O-N 2.63Å; C302-N304 VanDerWaalsContact O-N 3.16Å; C302-N304 PolarHBondContact SG-N 3.21Å; C302-N304 VanDerWaalsContact SG-N 3.44Å; C302-R305 HydrophobicContact CB-CG 4.02Å; C302-R305 WeakPolarHBondContact O-CB 2.93Å; C302-R305 PolarHBondContact O-N 3.3Å
303	V	92.6	Very high	93.4	Very high	23 Å²	23	43.3 Å²	43.3	14%	0.139	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.9	-179.1	-56	0	0	0	0	112.6	N257 M259 F273 Y275 D301 R305	N257-V303 WeakPolarHBondContact ND2-CG1 3.27Å; N257-V303 WeakPolarHBondContact OD1-CG2 3.42Å; M259-V303 HydrophobicContact CB-CG2 4.07Å; M259-V303 HydrophobicContact CE-CB 4.47Å; M259-V303 HydrophobicContact CE-CG2 3.84Å; F273-V303 HydrophobicContact CE1-CG2 3.9Å; F273-V303 HydrophobicContact CZ-CG2 3.65Å; Y275-V303 WeakPolarHBondContact CD2-O 3.45Å; D301-V303 PolarHBondContact O-N 2.93Å; V303-R305 PolarHBondContact O-N 2.71Å
304	N	94.8	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	28.2	171.2	-160	42.3	0	0	0	112.9	C258 P266 F273 P274 Y290 E291 C292 C302	C258-N304 HydrophobicContact CB-CB 4.34Å; P266-N304 WeakPolarHBondContact CD-ND2 3.15Å; F273-N304 HydrophobicContact CE2-CB 4.02Å; F273-N304 HydrophobicContact CZ-CB 3.76Å; P274-N304 VanDerWaalsContact CG-OD1 3.3Å; P274-N304 WeakPolarHBondContact CG-OD1 3.4Å; Y290-N304 PolarHBondContact O-ND2 3.1Å; Y290-N304 PolarHBondContact O-OD1 3.43Å; E291-N304 WeakPolarHBondContact CA-ND2 3.35Å; E291-N304 WeakPolarHBondContact CA-O 3.23Å; E291-N304 VanDerWaalsContact CB-O 3.25Å; E291-N304 WeakPolarHBondContact CB-O 3.29Å; C292-N304 PolarHBondContact N-ND2 2.85Å; C292-N304 VanDerWaalsContact N-ND2 3.14Å; C292-N304 PolarHBondContact N-O 2.97Å; C292-N304 PolarHBondContact SG-ND2 2.54Å; C302-N304 PolarHBondContact O-N 2.63Å; C302-N304 VanDerWaalsContact O-N 3.16Å; C302-N304 PolarHBondContact SG-N 3.21Å; C302-N304 VanDerWaalsContact SG-N 3.44Å
305	R	95.2	Very high	94.2	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.011	23%	0.234	C	C	.	.			trans	-134.5	89.6	174.7	-57.5	-178.7	-177.3	-83.8	4.9	108.1	C292 S293 S299 E300 C302 V303 Q308 K309	C292-R305 HydrophobicContact CB-CG 4.13Å; C292-R305 PolarHBondContact O-NH1 3.41Å; S293-R305 PolarHBondContact O-NH1 3.36Å; S293-R305 PolarHBondContact O-NH2 3.42Å; S299-R305 PolarHBondContact O-NE 3.1Å; E300-R305 VanDerWaalsContact O-CD 3.26Å; E300-R305 WeakPolarHBondContact O-CD 3.46Å; E300-R305 IonicContact OE2-CZ 2.87Å; C302-R305 HydrophobicContact CB-CG 4.02Å; C302-R305 WeakPolarHBondContact O-CB 2.93Å; C302-R305 PolarHBondContact O-N 3.3Å; V303-R305 PolarHBondContact O-N 2.71Å; R305-Q308 HydrophobicContact CB-CG 3.9Å; R305-Q308 HydrophobicContact CG-CG 4.48Å; R305-K309 WeakPolarHBondContact O-CD 3.4Å; R305-K309 WeakPolarHBondContact O-CE 3.47Å; R305-K309 PolarHBondContact O-NZ 2.88Å; R305-K309 VanDerWaalsContact O-NZ 3.13Å
306	V	97.1	Very high	94.6	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.139	22%	0.219	C	C	.	.	S	Bend	trans	-117.1	-61.6	-177.5	175.4	0	0	0	0	109.6	Y275 E291 Q308 K309 F339	Y275-V306 HydrophobicContact CD1-CG2 4.08Å; Y275-V306 HydrophobicContact CD2-CB 4.31Å; Y275-V306 HydrophobicContact CD2-CG2 3.57Å; Y275-V306 HydrophobicContact CE1-CB 4.14Å; Y275-V306 HydrophobicContact CE1-CG1 4.48Å; Y275-V306 HydrophobicContact CE1-CG2 4.15Å; Y275-V306 HydrophobicContact CE2-CB 3.83Å; Y275-V306 HydrophobicContact CE2-CG2 3.61Å; Y275-V306 HydrophobicContact CG-CG2 3.81Å; E291-V306 VanDerWaalsContact CD-N 3.33Å; E291-V306 WeakPolarHBondContact OE1-CA 3.34Å; E291-V306 WeakPolarHBondContact OE1-CB 3.08Å; E291-V306 PolarHBondContact OE1-N 3.23Å; E291-V306 PolarHBondContact OE2-N 3.46Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.18Å; V306-K309 WeakPolarHBondContact O-CB 3.37Å; V306-K309 PolarHBondContact O-N 2.88Å; V306-K309 VanDerWaalsContact O-N 3.14Å; V306-F339 HydrophobicContact CG1-CB 3.51Å; V306-F339 HydrophobicContact CG1-CD1 4.46Å; V306-F339 HydrophobicContact CG1-CG 4.16Å
307	V	97.7	Very high	95	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-64.6	-38.7	-177.2	176.4	0	0	0	0	110.9	E291 K309 G310 F339 V406 I408 A419 F421	E291-V307 PolarHBondContact OE1-N 3.47Å; E291-V307 PolarHBondContact OE2-N 3.02Å; V307-K309 PolarHBondContact O-N 3.29Å; V307-G310 PolarHBondContact O-N 3.39Å; V307-F339 HydrophobicContact CB-CD2 4.49Å; V307-F339 HydrophobicContact CB-CE2 4.22Å; V307-F339 HydrophobicContact CB-CZ 4.4Å; V307-F339 HydrophobicContact CG1-CE2 3.93Å; V307-F339 HydrophobicContact CG1-CZ 4.05Å; V307-F339 HydrophobicContact CG2-CD2 3.79Å; V307-F339 HydrophobicContact CG2-CE2 3.89Å; V307-F339 HydrophobicContact CG2-CG 4.34Å; V307-V406 HydrophobicContact CB-CG1 4.26Å; V307-V406 HydrophobicContact CG1-CG1 4.39Å; V307-V406 HydrophobicContact CG2-CG1 4.25Å; V307-V406 HydrophobicContact CG2-CG2 4.16Å; V307-I408 HydrophobicContact CB-CD1 4.46Å; V307-A419 HydrophobicContact CG1-CB 4.07Å; V307-A419 HydrophobicContact CG2-CB 3.87Å; V307-F421 HydrophobicContact CG2-CE2 4.14Å; V307-F421 HydrophobicContact CG2-CZ 3.69Å
308	Q	95.7	Very high	95.3	Very high	52 Å²	52	37.4 Å²	37.4	24%	0.243	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.2	-18.2	178.4	71.6	-165.4	-91.4	0	0	114.5	E291 C292 R305 V306 G310 I408	E291-Q308 WeakPolarHBondContact OE2-CG 3.35Å; E291-Q308 PolarHBondContact OE2-N 2.76Å; E291-Q308 PolarHBondContact OE2-NE2 2.93Å; C292-Q308 PolarHBondContact O-NE2 2.83Å; C292-Q308 PolarHBondContact O-OE1 3.03Å; R305-Q308 HydrophobicContact CB-CG 3.9Å; R305-Q308 HydrophobicContact CG-CG 4.48Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.18Å; Q308-G310 PolarHBondContact O-N 3.22Å; Q308-I408 HydrophobicContact CB-CD1 3.72Å; Q308-I408 HydrophobicContact CB-CG2 4.42Å
309	K	95.4	Very high	95.4	Very high	91 Å²	91	39.4 Å²	39.4	40%	0.396	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-77.4	-10.5	174.3	-64.3	179.6	176.8	161.6	0	112.3	I212 R305 V306 V307 Q312	I212-K309 WeakPolarHBondContact CD1-O 3.3Å; R305-K309 WeakPolarHBondContact O-CD 3.4Å; R305-K309 WeakPolarHBondContact O-CE 3.47Å; R305-K309 PolarHBondContact O-NZ 2.88Å; R305-K309 VanDerWaalsContact O-NZ 3.13Å; V306-K309 WeakPolarHBondContact O-CB 3.37Å; V306-K309 PolarHBondContact O-N 2.88Å; V306-K309 VanDerWaalsContact O-N 3.14Å; V307-K309 PolarHBondContact O-N 3.29Å; K309-Q312 PolarHBondContact O-NE2 2.9Å; K309-Q312 VanDerWaalsContact O-NE2 3.1Å
310	G	96.7	Very high	95.3	Very high	15 Å²	15	37.1 Å²	37.1	16%	0.155	18%	0.18	C	C	.	.			trans	68	177.4	179.2	0	0	0	0	0	113.6	V307 Q308 Q312	V307-G310 PolarHBondContact O-N 3.39Å; Q308-G310 PolarHBondContact O-N 3.22Å; G310-Q312 PolarHBondContact O-N 2.88Å; G310-Q312 PolarHBondContact O-NE2 3.09Å
311	R	97.5	Very high	95.3	Very high	6 Å²	6	37.7 Å²	37.7	2%	0.023	19%	0.187	C	C	.	.			trans	-60	125.5	-172.1	174.6	178.5	63.2	78.1	5.6	111.5	I212 S213 S214 V313 V340 E389	I212-R311 HydrophobicContact CG2-CB 4.2Å; I212-R311 WeakPolarHBondContact CG2-O 3.29Å; S213-R311 PolarHBondContact N-O 2.96Å; S213-R311 VanDerWaalsContact N-O 3.15Å; S213-R311 VanDerWaalsContact O-CZ 3.3Å; S213-R311 PolarHBondContact O-NH1 3.38Å; S213-R311 PolarHBondContact O-NH2 3.18Å; S214-R311 PolarHBondContact O-NH1 3.09Å; R311-V313 VanDerWaalsContact CD-O 3.24Å; R311-V313 WeakPolarHBondContact CD-O 3.39Å; R311-V313 HydrophobicContact CG-CB 4.38Å; R311-V313 VanDerWaalsContact CG-O 3.29Å; R311-V313 WeakPolarHBondContact CG-O 3.31Å; R311-V313 PolarHBondContact NH1-O 2.8Å; R311-V340 WeakPolarHBondContact CB-O 3.19Å; R311-V340 VanDerWaalsContact CG-O 3.25Å; R311-V340 WeakPolarHBondContact CG-O 3.25Å; R311-E389 WeakPolarHBondContact CD-OE1 3.27Å; R311-E389 IonicContact CZ-OE1 3.49Å; R311-E389 IonicContact NE-OE1 3.48Å; R311-E389 PolarHBondContact NE-OE1 3.39Å; R311-E389 IonicContact NH2-OE1 2.68Å
312	Q	96.8	Very high	95.2	Very high	110 Å²	110	35.5 Å²	35.5	51%	0.514	18%	0.175	S	C	.	.			trans	-101	-26.7	171.6	-56.5	-54.9	-52	0	0	112.2	S213 K309 G310	S213-Q312 WeakPolarHBondContact CB-O 3.32Å; S213-Q312 PolarHBondContact OG-O 2.95Å; K309-Q312 PolarHBondContact O-NE2 2.9Å; K309-Q312 VanDerWaalsContact O-NE2 3.1Å; G310-Q312 PolarHBondContact O-N 2.88Å; G310-Q312 PolarHBondContact O-NE2 3.09Å
313	V	97	Very high	94.8	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.085	21%	0.211	C	C	.	.	S	Bend	trans	-68.4	131.2	-177	-179.4	0	0	0	0	111.1	R311 I315 T330 E332 I334	R311-V313 VanDerWaalsContact CD-O 3.24Å; R311-V313 WeakPolarHBondContact CD-O 3.39Å; R311-V313 HydrophobicContact CG-CB 4.38Å; R311-V313 VanDerWaalsContact CG-O 3.29Å; R311-V313 WeakPolarHBondContact CG-O 3.31Å; R311-V313 PolarHBondContact NH1-O 2.8Å; V313-I315 HydrophobicContact CG1-CG2 4.12Å; V313-T330 WeakPolarHBondContact CG1-OG1 3.28Å; V313-E332 WeakPolarHBondContact CA-OE1 3.47Å; V313-E332 HydrophobicContact CG1-CG 4.02Å; V313-I334 HydrophobicContact CG1-CD1 3.72Å; V313-I334 HydrophobicContact CG1-CG1 3.85Å; V313-I334 HydrophobicContact CG2-CD1 4.26Å; V313-I334 HydrophobicContact CG2-CG1 4.24Å
314	K	97.7	Very high	94.6	Very high	105 Å²	105	42.2 Å²	42.2	46%	0.457	22%	0.221	S	C	.	.			trans	-71.6	126.6	171.7	-68	175.5	-176	169.2	0	111.1	S213 L331 E332	S213-K314 WeakPolarHBondContact OG-CG 3.4Å; K314-L331 HydrophobicContact CB-CB 4.02Å; K314-L331 HydrophobicContact CB-CD1 4.3Å; K314-L331 PolarHBondContact O-N 3.08Å; K314-E332 PolarHBondContact N-OE1 2.74Å
315	I	98.5	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.3	-176.7	61.7	101.6	0	0	0	112	L215 T216 V313 I317 V328 K329 E389 L432	L215-I315 VanDerWaalsContact CA-O 3.27Å; L215-I315 WeakPolarHBondContact CA-O 3.45Å; L215-I315 HydrophobicContact CB-CD1 3.65Å; L215-I315 HydrophobicContact CB-CG1 3.97Å; L215-I315 HydrophobicContact CD2-CD1 4.14Å; T216-I315 PolarHBondContact N-O 2.7Å; V313-I315 HydrophobicContact CG1-CG2 4.12Å; I315-I317 HydrophobicContact CD1-CG1 4.32Å; I315-V328 HydrophobicContact CB-CG1 3.98Å; I315-V328 HydrophobicContact CD1-CG1 3.84Å; I315-V328 HydrophobicContact CG1-CG1 4.38Å; I315-V328 HydrophobicContact CG2-CG1 4.42Å; I315-K329 CarbonylContact C-O 3.48Å; I315-K329 VanDerWaalsContact CA-O 3.31Å; I315-K329 WeakPolarHBondContact CA-O 3.43Å; I315-K329 WeakPolarHBondContact CB-O 3.47Å; I315-E389 HydrophobicContact CD1-CB 3.62Å; I315-E389 HydrophobicContact CD1-CG 3.87Å; I315-E389 HydrophobicContact CG1-CG 4.45Å; I315-L432 HydrophobicContact CG2-CD1 4.17Å
316	T	98.3	Very high	94.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.1	173.7	-58.5	0	0	0	0	109.4	T216 E218 F318 V328 K329 L331	T216-T316 CarbonylContact O-C 3.51Å; T216-T316 VanDerWaalsContact O-CA 3.31Å; T216-T316 WeakPolarHBondContact O-CA 3.5Å; T216-T316 WeakPolarHBondContact OG1-CB 3.14Å; T216-T316 WeakPolarHBondContact OG1-CG2 3.4Å; T216-T316 PolarHBondContact OG1-OG1 2.85Å; E218-T316 HydrophobicContact CB-CG2 4.38Å; E218-T316 HydrophobicContact CG-CG2 3.63Å; T316-F318 HydrophobicContact CG2-CB 4.22Å; T316-V328 WeakPolarHBondContact O-CA 3.36Å; T316-K329 PolarHBondContact N-O 3.01Å; T316-K329 PolarHBondContact O-N 3.31Å; T316-L331 WeakPolarHBondContact OG1-CD2 3.3Å; T316-L331 WeakPolarHBondContact OG1-CG 3.2Å
317	I	98.1	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.2	162.8	-61.6	166.9	0	0	0	106.3	W199 M203 L215 T216 V217 E218 I315 W326 G327 E389 F392	W199-I317 HydrophobicContact CH2-CD1 4.49Å; W199-I317 HydrophobicContact CH2-CG2 4.16Å; W199-I317 HydrophobicContact CZ3-CG2 4.42Å; M203-I317 HydrophobicContact CE-CD1 4.09Å; M203-I317 HydrophobicContact SD-CD1 4.07Å; L215-I317 HydrophobicContact CD1-CD1 4.46Å; L215-I317 HydrophobicContact CD2-CD1 4.37Å; T216-I317 PolarHBondContact O-N 3.31Å; V217-I317 VanDerWaalsContact CA-O 3.3Å; V217-I317 WeakPolarHBondContact CA-O 3.46Å; V217-I317 HydrophobicContact CG2-CB 4.45Å; E218-I317 PolarHBondContact N-O 3.2Å; I315-I317 HydrophobicContact CD1-CG1 4.32Å; I317-W326 HydrophobicContact CG2-CD2 4.34Å; I317-W326 HydrophobicContact CG2-CE3 3.68Å; I317-W326 HydrophobicContact CG2-CZ3 4.28Å; I317-G327 CarbonylContact C-O 3.55Å; I317-G327 WeakPolarHBondContact CA-O 3.32Å; I317-E389 HydrophobicContact CD1-CB 4.29Å; I317-E389 HydrophobicContact CG1-CB 4.35Å; I317-F392 HydrophobicContact CD1-CD2 3.72Å; I317-F392 HydrophobicContact CD1-CE2 3.86Å; I317-F392 HydrophobicContact CG1-CD2 4.08Å; I317-F392 HydrophobicContact CG2-CB 4.4Å; I317-F392 HydrophobicContact CG2-CD1 4.5Å; I317-F392 HydrophobicContact CG2-CD2 4.08Å; I317-F392 HydrophobicContact CG2-CG 4.06Å
318	F	95.9	Very high	94.3	Very high	27 Å²	27	42.7 Å²	42.7	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.5	-174	77.2	-77.2	0	0	0	111.8	E218 T316 T320 W326 G327 K329 E431	E218-F318 HydrophobicContact CG-CB 3.46Å; E218-F318 VanDerWaalsContact CG-CB 3.46Å; E218-F318 CarbonylContact O-C 3.59Å; E218-F318 VanDerWaalsContact O-CA 3.29Å; E218-F318 WeakPolarHBondContact O-CA 3.5Å; E218-F318 WeakPolarHBondContact OE1-CB 3.31Å; T316-F318 HydrophobicContact CG2-CB 4.22Å; F318-T320 HydrophobicContact CE2-CG2 3.83Å; F318-T320 HydrophobicContact CZ-CG2 3.94Å; F318-W326 CarbonylContact O-C 3.56Å; F318-W326 WeakPolarHBondContact O-CA 3.27Å; F318-G327 WeakPolarHBondContact CD1-O 3.47Å; F318-G327 PolarHBondContact N-O 2.88Å; F318-G327 PolarHBondContact O-N 3.36Å; F318-K329 HydrophobicContact CD1-CB 4.06Å; F318-K329 HydrophobicContact CD1-CD 4.02Å; F318-K329 HydrophobicContact CD1-CG 3.8Å; F318-K329 HydrophobicContact CE1-CB 3.9Å; F318-K329 HydrophobicContact CE1-CD 4.32Å; F318-K329 HydrophobicContact CE1-CG 4.14Å; F318-K329 HydrophobicContact CG-CD 4.29Å; F318-K329 HydrophobicContact CG-CG 4.47Å; F318-E431 HydrophobicContact CE1-CB 4.39Å; F318-E431 HydrophobicContact CE1-CG 3.97Å; F318-E431 HydrophobicContact CZ-CB 4.25Å; F318-E431 HydrophobicContact CZ-CG 3.95Å
319	R	93.7	Very high	94.4	Very high	47 Å²	47	41.8 Å²	41.8	18%	0.177	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.2	170	-167.6	68	171.3	177.8	-3.5	110.2	E218 N219 V221 D222 W326	E218-R319 PolarHBondContact O-N 3.2Å; N219-R319 HydrophobicContact CB-CB 3.97Å; N219-R319 VanDerWaalsContact CG-CB 3.44Å; N219-R319 WeakPolarHBondContact OD1-CB 3.5Å; N219-R319 WeakPolarHBondContact OD1-CG 3.34Å; V221-R319 HydrophobicContact CB-CB 4.33Å; V221-R319 HydrophobicContact CB-CG 3.85Å; V221-R319 HydrophobicContact CG1-CG 4.49Å; V221-R319 HydrophobicContact CG2-CB 4.22Å; V221-R319 HydrophobicContact CG2-CG 4.17Å; V221-R319 WeakPolarHBondContact CG2-O 3.37Å; D222-R319 IonicContact OD1-NE 2.73Å; D222-R319 PolarHBondContact OD1-NE 2.94Å; D222-R319 IonicContact OD2-CZ 2.74Å; D222-R319 VanDerWaalsContact OD2-CZ 3.27Å; D222-R319 IonicContact OD2-NE 3.78Å; D222-R319 PolarHBondContact OD2-NE 3.43Å; D222-R319 IonicContact OD2-NH2 3.21Å; D222-R319 PolarHBondContact OD2-NH2 2.65Å; R319-W326 HydrophobicContact CB-CE3 4.41Å; R319-W326 HydrophobicContact CB-CZ3 4.27Å
320	T	89.3	Confident	94.6	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	20%	0.201	C	C	.	.			trans	-70.3	145.6	174.7	61.5	0	0	0	0	110.8	F318 D322 R324 G325	F318-T320 HydrophobicContact CE2-CG2 3.83Å; F318-T320 HydrophobicContact CZ-CG2 3.94Å; T320-D322 VanDerWaalsContact CB-OD1 3.32Å; T320-D322 WeakPolarHBondContact CB-OD1 3.15Å; T320-D322 PolarHBondContact OG1-OD1 3.24Å; T320-R324 HydrophobicContact CG2-CB 4.38Å; T320-R324 PolarHBondContact OG1-N 2.73Å; T320-G325 WeakPolarHBondContact CB-O 3.32Å; T320-G325 PolarHBondContact N-O 2.86Å; T320-G325 PolarHBondContact OG1-N 3.43Å; T320-G325 PolarHBondContact OG1-O 2.94Å
321	N	90.1	Very high	94.6	Very high	138 Å²	138	39.3 Å²	39.3	74%	0.738	21%	0.207	S	C	*	.	S	Bend	trans	-92.5	-0.5	-179.3	65.9	-8.8	0	0	0	113.7	V221	V221-N321 HydrophobicContact CG1-CB 4.43Å; V221-N321 HydrophobicContact CG2-CB 4Å
322	D	87.3	Confident	94.6	Very high	88 Å²	88	42 Å²	42	47%	0.471	22%	0.219	S	C	.	.	S	Bend	trans	-104.9	5.3	-177.5	60.4	13.6	0	0	0	113	T320 R324	T320-D322 VanDerWaalsContact CB-OD1 3.32Å; T320-D322 WeakPolarHBondContact CB-OD1 3.15Å; T320-D322 PolarHBondContact OG1-OD1 3.24Å; D322-R324 VanDerWaalsContact CG-NE 3.3Å; D322-R324 WeakPolarHBondContact OD1-CB 3.43Å; D322-R324 WeakPolarHBondContact OD1-CG 3.3Å; D322-R324 IonicContact OD1-CZ 2.74Å; D322-R324 PolarHBondContact OD1-N 2.62Å; D322-R324 VanDerWaalsContact OD1-N 3.14Å; D322-R324 IonicContact OD1-NE 2.84Å; D322-R324 PolarHBondContact OD1-NE 3.01Å; D322-R324 IonicContact OD1-NH2 2.73Å; D322-R324 IonicContact OD2-CZ 3.9Å; D322-R324 IonicContact OD2-NE 2.95Å; D322-R324 PolarHBondContact OD2-NE 3.02Å; D322-R324 IonicContact OD2-NH2 3.78Å; D322-R324 PolarHBondContact OD2-NH2 3.29Å
323	G	86.5	Confident	94.6	Very high	72 Å²	72	41.7 Å²	41.7	74%	0.742	23%	0.227	S	C	*	.	S	Bend	trans	85.6	4.6	176.7	0	0	0	0	0	115	G325	G323-G325 PolarHBondContact O-N 2.85Å
324	R	87.4	Confident	94.7	Very high	92 Å²	92	41.4 Å²	41.4	35%	0.347	23%	0.225	S	C	.	.			trans	-69.1	-5.8	172.7	-69.1	-176	-69.5	132.3	4.3	113.7	T320 D322 N394 E431	T320-R324 HydrophobicContact CG2-CB 4.38Å; T320-R324 PolarHBondContact OG1-N 2.73Å; D322-R324 VanDerWaalsContact CG-NE 3.3Å; D322-R324 WeakPolarHBondContact OD1-CB 3.43Å; D322-R324 WeakPolarHBondContact OD1-CG 3.3Å; D322-R324 IonicContact OD1-CZ 2.74Å; D322-R324 PolarHBondContact OD1-N 2.62Å; D322-R324 VanDerWaalsContact OD1-N 3.14Å; D322-R324 IonicContact OD1-NE 2.84Å; D322-R324 PolarHBondContact OD1-NE 3.01Å; D322-R324 IonicContact OD1-NH2 2.73Å; D322-R324 IonicContact OD2-CZ 3.9Å; D322-R324 IonicContact OD2-NE 2.95Å; D322-R324 PolarHBondContact OD2-NE 3.02Å; D322-R324 IonicContact OD2-NH2 3.78Å; D322-R324 PolarHBondContact OD2-NH2 3.29Å; R324-N394 VanDerWaalsContact NH1-CB 3.34Å; R324-N394 PolarHBondContact NH1-ND2 3Å; R324-E431 IonicContact CZ-OE1 2.64Å; R324-E431 IonicContact CZ-OE2 2.74Å; R324-E431 VanDerWaalsContact NH1-CD 3.34Å; R324-E431 IonicContact NH1-OE1 2.84Å; R324-E431 PolarHBondContact NH1-OE1 2.79Å; R324-E431 IonicContact NH1-OE2 3.71Å; R324-E431 PolarHBondContact NH1-OE2 3.45Å; R324-E431 IonicContact NH2-OE1 3.27Å; R324-E431 IonicContact NH2-OE2 3.93Å; R324-E431 PolarHBondContact NH2-OE2 3.2Å
325	G	90.6	Very high	94.8	Very high	13 Å²	13	42.1 Å²	42.1	13%	0.134	23%	0.228	C	C	.	.			trans	87.6	-132.8	178.3	0	0	0	0	0	111.5	T320 G323	T320-G325 WeakPolarHBondContact CB-O 3.32Å; T320-G325 PolarHBondContact N-O 2.86Å; T320-G325 PolarHBondContact OG1-N 3.43Å; T320-G325 PolarHBondContact OG1-O 2.94Å; G323-G325 PolarHBondContact O-N 2.85Å
326	W	93.8	Very high	94.7	Very high	23 Å²	23	47.5 Å²	47.5	9%	0.087	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.7	177.1	-68	102	0	0	0	110.6	L196 W199 V217 E218 N219 E224 G225 I317 F318 R319 F392 N394	L196-W326 HydrophobicContact CD1-CH2 4.49Å; L196-W326 HydrophobicContact CD2-CH2 3.6Å; L196-W326 HydrophobicContact CD2-CZ2 4.05Å; W199-W326 HydrophobicContact CZ3-CH2 4.33Å; W199-W326 HydrophobicContact CZ3-CZ2 4.37Å; W199-W326 HydrophobicContact CZ3-CZ3 4.49Å; V217-W326 HydrophobicContact CG1-CH2 4.16Å; V217-W326 HydrophobicContact CG1-CZ3 3.98Å; E218-W326 WeakPolarHBondContact O-CZ3 3.43Å; N219-W326 HydrophobicContact CB-CH2 3.95Å; N219-W326 HydrophobicContact CB-CZ3 4.43Å; E224-W326 HydrophobicContact CG-CZ2 4.47Å; G225-W326 WeakPolarHBondContact O-CZ2 3.45Å; I317-W326 HydrophobicContact CG2-CD2 4.34Å; I317-W326 HydrophobicContact CG2-CE3 3.68Å; I317-W326 HydrophobicContact CG2-CZ3 4.28Å; F318-W326 CarbonylContact O-C 3.56Å; F318-W326 WeakPolarHBondContact O-CA 3.27Å; R319-W326 HydrophobicContact CB-CE3 4.41Å; R319-W326 HydrophobicContact CB-CZ3 4.27Å; W326-F392 HydrophobicContact CB-CB 4.26Å; W326-F392 HydrophobicContact CB-CD1 3.51Å; W326-F392 HydrophobicContact CB-CE1 4.27Å; W326-F392 HydrophobicContact CB-CG 4.2Å; W326-F392 HydrophobicContact CG-CD1 4.09Å; W326-F392 HydrophobicContact CG-CE1 4.39Å; W326-N394 PolarHBondContact O-ND2 2.67Å; W326-N394 PolarHBondContact O-OD1 2.98Å
327	G	95.5	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	171.3	175.1	0	0	0	0	0	110.5	I317 F318 F392 N394	I317-G327 CarbonylContact C-O 3.55Å; I317-G327 WeakPolarHBondContact CA-O 3.32Å; F318-G327 WeakPolarHBondContact CD1-O 3.47Å; F318-G327 PolarHBondContact N-O 2.88Å; F318-G327 PolarHBondContact O-N 3.36Å; G327-F392 CarbonylContact C-O 3.46Å; G327-F392 VanDerWaalsContact CA-O 3.25Å; G327-F392 WeakPolarHBondContact CA-O 3.5Å; G327-N394 WeakPolarHBondContact CA-ND2 3.32Å
328	V	98.4	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.5	171.2	-171.8	0	0	0	0	109	I315 T316 M341 E389 F392 L393 E431 L432	I315-V328 HydrophobicContact CB-CG1 3.98Å; I315-V328 HydrophobicContact CD1-CG1 3.84Å; I315-V328 HydrophobicContact CG1-CG1 4.38Å; I315-V328 HydrophobicContact CG2-CG1 4.42Å; T316-V328 WeakPolarHBondContact O-CA 3.36Å; V328-M341 HydrophobicContact CG1-CE 4.2Å; V328-E389 HydrophobicContact CG2-CB 4.49Å; V328-E389 VanDerWaalsContact CG2-O 3.23Å; V328-E389 WeakPolarHBondContact CG2-O 3.3Å; V328-F392 HydrophobicContact CG2-CB 3.74Å; V328-L393 HydrophobicContact CB-CD2 3.94Å; V328-L393 HydrophobicContact CG2-CD2 4.14Å; V328-L393 HydrophobicContact CG2-CG 4.43Å; V328-E431 CarbonylContact O-C 3.58Å; V328-E431 WeakPolarHBondContact O-CA 3.02Å; V328-E431 WeakPolarHBondContact O-CG 3.25Å; V328-L432 HydrophobicContact CG1-CD1 4.16Å; V328-L432 PolarHBondContact O-N 3.41Å
329	K	98.1	Very high	94.9	Very high	34 Å²	34	48.7 Å²	48.7	15%	0.148	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.4	170.5	64.4	-178.6	178.1	-176.3	0	111	E218 I315 T316 F318 E430	E218-K329 WeakPolarHBondContact OE1-CE 3.37Å; E218-K329 IonicContact OE1-NZ 2.84Å; E218-K329 PolarHBondContact OE1-NZ 2.94Å; E218-K329 IonicContact OE2-NZ 3.22Å; I315-K329 CarbonylContact C-O 3.48Å; I315-K329 VanDerWaalsContact CA-O 3.31Å; I315-K329 WeakPolarHBondContact CA-O 3.43Å; I315-K329 WeakPolarHBondContact CB-O 3.47Å; T316-K329 PolarHBondContact N-O 3.01Å; T316-K329 PolarHBondContact O-N 3.31Å; F318-K329 HydrophobicContact CD1-CB 4.06Å; F318-K329 HydrophobicContact CD1-CD 4.02Å; F318-K329 HydrophobicContact CD1-CG 3.8Å; F318-K329 HydrophobicContact CE1-CB 3.9Å; F318-K329 HydrophobicContact CE1-CD 4.32Å; F318-K329 HydrophobicContact CE1-CG 4.14Å; F318-K329 HydrophobicContact CG-CD 4.29Å; F318-K329 HydrophobicContact CG-CG 4.47Å; K329-E430 VanDerWaalsContact CA-O 3.28Å; K329-E430 WeakPolarHBondContact CA-O 3.06Å; K329-E430 VanDerWaalsContact CB-O 3.29Å; K329-E430 WeakPolarHBondContact CB-O 3.26Å
330	T	98.3	Very high	95.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	147.4	172.7	-175.5	0	0	0	0	111.1	V313 E332 I334 I426 G427 Y429 E430	V313-T330 WeakPolarHBondContact CG1-OG1 3.28Å; T330-E332 VanDerWaalsContact CG2-O 3.22Å; T330-E332 WeakPolarHBondContact CG2-O 3.24Å; T330-E332 PolarHBondContact OG1-N 2.74Å; T330-E332 PolarHBondContact OG1-O 2.7Å; T330-I334 HydrophobicContact CG2-CD1 4.16Å; T330-I334 HydrophobicContact CG2-CG1 4.36Å; T330-I426 HydrophobicContact CG2-CG2 3.98Å; T330-G427 WeakPolarHBondContact CG2-O 3.24Å; T330-Y429 WeakPolarHBondContact O-CA 3.43Å; T330-Y429 PolarHBondContact O-N 3.35Å; T330-E430 PolarHBondContact N-O 3.2Å; T330-E430 VanDerWaalsContact N-O 3.12Å
331	L	97.5	Very high	95.5	Very high	53 Å²	53	46.3 Å²	46.3	28%	0.277	26%	0.256	S	S	.	.	S	Bend	trans	-93.6	-6.7	172.4	-68.5	-179.8	0	0	0	112.8	K314 T316 Y429	K314-L331 HydrophobicContact CB-CB 4.02Å; K314-L331 HydrophobicContact CB-CD1 4.3Å; K314-L331 PolarHBondContact O-N 3.08Å; T316-L331 WeakPolarHBondContact OG1-CD2 3.3Å; T316-L331 WeakPolarHBondContact OG1-CG 3.2Å; L331-Y429 HydrophobicContact CD2-CD1 3.99Å; L331-Y429 HydrophobicContact CD2-CE1 3.68Å
332	E	97.4	Very high	95.8	Very high	63 Å²	63	40.3 Å²	40.3	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	-142.4	156.2	-174.3	63	-166.4	176.3	0	0	111	V313 K314 T330	V313-E332 WeakPolarHBondContact CA-OE1 3.47Å; V313-E332 HydrophobicContact CG1-CG 4.02Å; K314-E332 PolarHBondContact N-OE1 2.74Å; T330-E332 VanDerWaalsContact CG2-O 3.22Å; T330-E332 WeakPolarHBondContact CG2-O 3.24Å; T330-E332 PolarHBondContact OG1-N 2.74Å; T330-E332 PolarHBondContact OG1-O 2.7Å
333	P	98.2	Very high	96.3	Very high	104 Å²	104	36.7 Å²	36.7	68%	0.675	20%	0.203	S	C	*	.			trans	-63.5	140.5	176.4	27.1	-34.5	0	0	0	110.9	I426	P333-I426 VanDerWaalsContact CA-O 3.29Å; P333-I426 WeakPolarHBondContact CA-O 3.4Å
334	I	98.6	Very high	96.7	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.041	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-117.9	126.2	177	-49.8	172.6	0	0	0	108.5	V313 T330 A338 V340 A422 D425 I426 L432	V313-I334 HydrophobicContact CG1-CD1 3.72Å; V313-I334 HydrophobicContact CG1-CG1 3.85Å; V313-I334 HydrophobicContact CG2-CD1 4.26Å; V313-I334 HydrophobicContact CG2-CG1 4.24Å; T330-I334 HydrophobicContact CG2-CD1 4.16Å; T330-I334 HydrophobicContact CG2-CG1 4.36Å; I334-A338 HydrophobicContact CG2-CB 3.85Å; I334-V340 HydrophobicContact CD1-CG1 4.19Å; I334-V340 HydrophobicContact CD1-CG2 4.23Å; I334-V340 HydrophobicContact CG2-CG2 4.17Å; I334-A422 HydrophobicContact CG2-CB 3.89Å; I334-D425 CarbonylContact O-C 3.59Å; I334-D425 WeakPolarHBondContact O-CA 3.4Å; I334-I426 HydrophobicContact CB-CB 4.08Å; I334-I426 HydrophobicContact CB-CD1 4.5Å; I334-I426 HydrophobicContact CB-CG1 4.47Å; I334-I426 HydrophobicContact CD1-CD1 4.29Å; I334-I426 PolarHBondContact N-O 3.41Å; I334-I426 PolarHBondContact O-N 3.37Å; I334-L432 HydrophobicContact CD1-CD2 4.06Å
335	K	98.3	Very high	97.1	Very high	119 Å²	119	28.9 Å²	28.9	52%	0.517	15%	0.151	S	C	.	.			trans	-72.6	145.4	176.7	-172	-179.9	173.4	-170.5	0	111	D278 T280 G337 A338 A422 D425	D278-K335 IonicContact OD2-NZ 3.88Å; D278-K335 PolarHBondContact OD2-NZ 2.83Å; T280-K335 HydrophobicContact CG2-CD 4.22Å; K335-G337 PolarHBondContact O-N 2.86Å; K335-A338 WeakPolarHBondContact O-CB 3.2Å; K335-A338 PolarHBondContact O-N 2.8Å; K335-A338 VanDerWaalsContact O-N 3.1Å; K335-A422 WeakPolarHBondContact O-CB 3.41Å; K335-D425 WeakPolarHBondContact CA-OD1 3.36Å
336	Q	98.2	Very high	97.2	Very high	114 Å²	114	29.4 Å²	29.4	53%	0.533	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	136.7	170	-177.5	176.9	0.9	0	0	111.6	A338 K423 D425	Q336-A338 PolarHBondContact O-N 2.75Å; Q336-K423 PolarHBondContact NE2-O 2.91Å; Q336-D425 PolarHBondContact N-OD1 2.58Å
337	G	97.8	Very high	97.1	Very high	8 Å²	8	28.6 Å²	28.6	8%	0.082	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-3.3	178.8	0	0	0	0	0	114.4	T280 L281 K335 F421 A422	T280-G337 CarbonylContact C-O 3.56Å; T280-G337 VanDerWaalsContact CA-O 3.3Å; T280-G337 WeakPolarHBondContact CA-O 3.27Å; L281-G337 PolarHBondContact N-O 2.84Å; K335-G337 PolarHBondContact O-N 2.86Å; G337-F421 WeakPolarHBondContact O-CD1 3.4Å; G337-A422 WeakPolarHBondContact CA-O 3.39Å; G337-A422 PolarHBondContact N-O 3.13Å
338	A	98.4	Very high	96.9	Very high	22 Å²	22	28.6 Å²	28.6	18%	0.182	15%	0.147	C	C	.	.			trans	-70.3	143.6	175.4	0	0	0	0	0	111.4	T280 I334 K335 Q336 F421 A422	T280-A338 HydrophobicContact CG2-CB 4.48Å; I334-A338 HydrophobicContact CG2-CB 3.85Å; K335-A338 WeakPolarHBondContact O-CB 3.2Å; K335-A338 PolarHBondContact O-N 2.8Å; K335-A338 VanDerWaalsContact O-N 3.1Å; Q336-A338 PolarHBondContact O-N 2.75Å; A338-F421 CarbonylContact O-C 3.59Å; A338-F421 VanDerWaalsContact O-CA 3.27Å; A338-F421 WeakPolarHBondContact O-CA 3.14Å; A338-A422 PolarHBondContact O-N 2.88Å
339	F	98.5	Very high	96.4	Very high	21 Å²	21	29.8 Å²	29.8	9%	0.092	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.9	170.1	173.1	-114.7	0	0	0	110.3	V306 V307 M341 A419 F421	V306-F339 HydrophobicContact CG1-CB 3.51Å; V306-F339 HydrophobicContact CG1-CD1 4.46Å; V306-F339 HydrophobicContact CG1-CG 4.16Å; V307-F339 HydrophobicContact CB-CD2 4.49Å; V307-F339 HydrophobicContact CB-CE2 4.22Å; V307-F339 HydrophobicContact CB-CZ 4.4Å; V307-F339 HydrophobicContact CG1-CE2 3.93Å; V307-F339 HydrophobicContact CG1-CZ 4.05Å; V307-F339 HydrophobicContact CG2-CD2 3.79Å; V307-F339 HydrophobicContact CG2-CE2 3.89Å; V307-F339 HydrophobicContact CG2-CG 4.34Å; F339-M341 VanDerWaalsContact CE2-C 3.44Å; F339-M341 VanDerWaalsContact CE2-O 3.22Å; F339-M341 WeakPolarHBondContact CE2-O 3.18Å; F339-A419 HydrophobicContact CD2-CB 4.25Å; F339-A419 HydrophobicContact CE2-CB 3.9Å; F339-F421 VanDerWaalsContact CA-CD1 3.47Å; F339-F421 HydrophobicContact CB-CD1 3.93Å; F339-F421 HydrophobicContact CB-CE1 3.6Å; F339-F421 HydrophobicContact CB-CZ 4.2Å; F339-F421 HydrophobicContact CD2-CE1 4.27Å; F339-F421 HydrophobicContact CD2-CE2 4.29Å; F339-F421 HydrophobicContact CD2-CZ 4.08Å; F339-F421 HydrophobicContact CG-CE1 4.4Å
340	V	98.6	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-59.3	-177	-174.4	0	0	0	0	110.7	R311 I334 L401 F420 A422 L432	R311-V340 WeakPolarHBondContact CB-O 3.19Å; R311-V340 VanDerWaalsContact CG-O 3.25Å; R311-V340 WeakPolarHBondContact CG-O 3.25Å; I334-V340 HydrophobicContact CD1-CG1 4.19Å; I334-V340 HydrophobicContact CD1-CG2 4.23Å; I334-V340 HydrophobicContact CG2-CG2 4.17Å; V340-L401 HydrophobicContact CB-CD2 4.06Å; V340-L401 HydrophobicContact CG1-CD2 4.18Å; V340-L401 HydrophobicContact CG2-CD2 3.71Å; V340-F420 PolarHBondContact N-O 3.16Å; V340-A422 HydrophobicContact CG2-CB 4.28Å; V340-L432 HydrophobicContact CG1-CD1 3.82Å
341	M	98.1	Very high	95.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.5	-179.8	65	-173.7	74.7	0	0	111.3	V328 F339 E389 L393 F420 L432	V328-M341 HydrophobicContact CG1-CE 4.2Å; F339-M341 VanDerWaalsContact CE2-C 3.44Å; F339-M341 VanDerWaalsContact CE2-O 3.22Å; F339-M341 WeakPolarHBondContact CE2-O 3.18Å; M341-E389 HydrophobicContact CE-CG 4.1Å; M341-E389 HydrophobicContact SD-CG 3.74Å; M341-L393 HydrophobicContact CE-CD2 4.3Å; M341-L393 HydrophobicContact CG-CD1 4.49Å; M341-L393 HydrophobicContact SD-CD1 3.78Å; M341-L393 HydrophobicContact SD-CD2 4.22Å; M341-L393 HydrophobicContact SD-CG 4.13Å; M341-F420 HydrophobicContact CG-CB 4.35Å; M341-F420 HydrophobicContact CG-CD2 3.88Å; M341-F420 PolarHBondContact O-N 3.44Å; M341-L432 HydrophobicContact CE-CD1 3.69Å
342	E	97.2	Very high	94.6	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	145	173.5	-176.5	-175.1	-170.2	0	0	110.4	T344 N388 S390 R417 I418	E342-T344 HydrophobicContact CB-CG2 4.35Å; E342-T344 HydrophobicContact CG-CG2 4.11Å; E342-T344 PolarHBondContact O-N 2.88Å; E342-N388 PolarHBondContact O-ND2 3.1Å; E342-N388 PolarHBondContact O-OD1 2.59Å; E342-S390 WeakPolarHBondContact O-CB 3.34Å; E342-S390 PolarHBondContact O-OG 3.24Å; E342-R417 VanDerWaalsContact CD-NE 3.31Å; E342-R417 WeakPolarHBondContact OE1-CB 3.48Å; E342-R417 VanDerWaalsContact OE1-CG 3.31Å; E342-R417 WeakPolarHBondContact OE1-CG 3.29Å; E342-R417 IonicContact OE1-CZ 2.62Å; E342-R417 IonicContact OE1-NE 3.36Å; E342-R417 PolarHBondContact OE1-NE 3.24Å; E342-R417 IonicContact OE1-NH2 3.35Å; E342-R417 IonicContact OE2-CZ 3.77Å; E342-R417 IonicContact OE2-NE 3.75Å; E342-R417 PolarHBondContact OE2-NE 3.47Å; E342-R417 IonicContact OE2-NH2 3.87Å; E342-R417 PolarHBondContact OE2-NH2 2.95Å; E342-I418 CarbonylContact C-O 3.49Å; E342-I418 WeakPolarHBondContact CA-O 3.17Å; E342-I418 VanDerWaalsContact CG-O 3.24Å; E342-I418 WeakPolarHBondContact CG-O 3.49Å
343	Y	96.2	Very high	94.1	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	112.1	165.3	-161.8	-96.8	0	0	0	110.3	Y367 F369 I381 A383 S390 I418 F420	Y343-Y367 PolarHBondContact OH-O 2.68Å; Y343-F369 HydrophobicContact CD1-CB 3.9Å; Y343-F369 HydrophobicContact CD1-CD2 4.11Å; Y343-F369 HydrophobicContact CD1-CG 4.22Å; Y343-F369 HydrophobicContact CD2-CD2 4.38Å; Y343-F369 HydrophobicContact CE1-CB 3.53Å; Y343-F369 HydrophobicContact CE1-CD2 4.21Å; Y343-F369 HydrophobicContact CE1-CG 4.25Å; Y343-F369 HydrophobicContact CE2-CD2 4.47Å; Y343-F369 HydrophobicContact CG-CD2 4.2Å; Y343-I381 HydrophobicContact CD1-CB 4.13Å; Y343-I381 HydrophobicContact CD1-CD1 4.27Å; Y343-I381 HydrophobicContact CD1-CG2 3.77Å; Y343-I381 HydrophobicContact CE1-CB 4.07Å; Y343-I381 HydrophobicContact CE1-CG2 3.72Å; Y343-A383 HydrophobicContact CE1-CB 4.03Å; Y343-A383 WeakPolarHBondContact OH-CB 3.49Å; Y343-S390 VanDerWaalsContact CA-OG 3.32Å; Y343-S390 WeakPolarHBondContact CA-OG 3.36Å; Y343-S390 WeakPolarHBondContact CD2-OG 3.29Å; Y343-I418 PolarHBondContact N-O 3.5Å; Y343-F420 AromaticContact CD2-CE2 3.93Å; Y343-F420 HydrophobicContact CD2-CE2 3.93Å; Y343-F420 AromaticContact CD2-CZ 3.97Å; Y343-F420 HydrophobicContact CD2-CZ 3.97Å; Y343-F420 HydrophobicContact CG-CE2 4.28Å; Y343-F420 HydrophobicContact CG-CZ 4.48Å
344	T	96.2	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.			trans	-114.3	147.7	179.6	63.8	0	0	0	0	111.9	I233 E342 A383 G387 N388	I233-T344 PolarHBondContact O-OG1 3.12Å; E342-T344 HydrophobicContact CB-CG2 4.35Å; E342-T344 HydrophobicContact CG-CG2 4.11Å; E342-T344 PolarHBondContact O-N 2.88Å; T344-A383 WeakPolarHBondContact O-CB 3.4Å; T344-G387 WeakPolarHBondContact O-CA 3.09Å; T344-N388 WeakPolarHBondContact OG1-CB 3.3Å; T344-N388 PolarHBondContact OG1-N 3.47Å; T344-N388 PolarHBondContact OG1-ND2 3.43Å; T344-N388 PolarHBondContact OG1-OD1 3.26Å
345	G	95	Very high	92.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.			trans	-176.7	-161.6	174.6	0	0	0	0	0	112.9	C236 I237 F386	C236-G345 WeakPolarHBondContact CA-O 3.46Å; C236-G345 WeakPolarHBondContact CB-O 3.4Å; C236-G345 PolarHBondContact SG-N 3.36Å; I237-G345 PolarHBondContact N-O 3.28Å; G345-F386 VanDerWaalsContact CA-O 3.23Å; G345-F386 WeakPolarHBondContact CA-O 3.07Å
346	E	92.9	Very high	92.2	Very high	24 Å²	24	35.5 Å²	35.5	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.3	170.3	-172.1	-173.9	179.3	0	0	109.7	I237 C239 I348 R356 D382 F386	I237-E346 HydrophobicContact CD1-CB 4.4Å; I237-E346 HydrophobicContact CD1-CG 4.4Å; I237-E346 HydrophobicContact CG1-CB 4.04Å; I237-E346 HydrophobicContact CG1-CG 4.11Å; I237-E346 CarbonylContact O-C 3.38Å; C239-E346 VanDerWaalsContact CA-OE1 3.3Å; C239-E346 WeakPolarHBondContact CA-OE1 3.41Å; C239-E346 HydrophobicContact CB-CG 4.3Å; C239-E346 WeakPolarHBondContact CB-OE1 3.43Å; E346-I348 HydrophobicContact CB-CG2 4.49Å; E346-I348 HydrophobicContact CG-CG2 3.88Å; E346-I348 PolarHBondContact O-N 2.77Å; E346-R356 VanDerWaalsContact CD-NH2 3.27Å; E346-R356 IonicContact OE1-NH2 2.66Å; E346-R356 PolarHBondContact OE1-NH2 3.41Å; E346-R356 IonicContact OE2-CZ 3.25Å; E346-R356 VanDerWaalsContact OE2-CZ 3.26Å; E346-R356 IonicContact OE2-NH1 3.18Å; E346-R356 PolarHBondContact OE2-NH1 3.38Å; E346-R356 IonicContact OE2-NH2 3.97Å; E346-R356 PolarHBondContact OE2-NH2 3.13Å; E346-D382 PolarHBondContact N-O 2.89Å; E346-D382 PolarHBondContact O-N 3.04Å; E346-F386 HydrophobicContact CB-CD2 4.47Å
347	I	92.3	Very high	91	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	116.6	171.3	-65.4	162.3	0	0	0	107.8	C236 I237 Y238 C239 M242 Y379 V380 I381	C236-I347 HydrophobicContact CB-CD1 3.53Å; C236-I347 HydrophobicContact CB-CG1 3.9Å; I237-I347 PolarHBondContact O-N 2.87Å; Y238-I347 HydrophobicContact CD1-CB 3.88Å; Y238-I347 HydrophobicContact CD1-CD1 4.05Å; Y238-I347 HydrophobicContact CD1-CG2 3.98Å; Y238-I347 HydrophobicContact CE1-CB 4.1Å; Y238-I347 HydrophobicContact CE1-CD1 3.42Å; Y238-I347 VanDerWaalsContact CE1-CD1 3.42Å; Y238-I347 HydrophobicContact CE1-CG1 4.35Å; Y238-I347 HydrophobicContact CE1-CG2 4.1Å; C239-I347 PolarHBondContact N-O 3.13Å; C239-I347 VanDerWaalsContact N-O 3.08Å; M242-I347 HydrophobicContact CE-CG2 4.36Å; M242-I347 WeakPolarHBondContact CE-O 3.34Å; I347-Y379 HydrophobicContact CG2-CD1 4.43Å; I347-Y379 HydrophobicContact CG2-CG 4.44Å; I347-V380 WeakPolarHBondContact CA-O 3.41Å; I347-I381 HydrophobicContact CG1-CG1 4.06Å
348	I	90.4	Very high	89.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	160.6	179.7	59.9	175.1	0	0	0	110.5	C239 E346 E352 A353 L368 Y379 V380 D382	C239-I348 HydrophobicContact CB-CG2 3.97Å; E346-I348 HydrophobicContact CB-CG2 4.49Å; E346-I348 HydrophobicContact CG-CG2 3.88Å; E346-I348 PolarHBondContact O-N 2.77Å; I348-E352 HydrophobicContact CB-CB 4.16Å; I348-E352 HydrophobicContact CB-CG 3.91Å; I348-E352 HydrophobicContact CD1-CG 4.31Å; I348-E352 HydrophobicContact CG2-CG 4.06Å; I348-A353 VanDerWaalsContact CD1-CA 3.47Å; I348-A353 HydrophobicContact CD1-CB 3.64Å; I348-A353 HydrophobicContact CG1-CB 4.11Å; I348-L368 HydrophobicContact CD1-CD2 4.19Å; I348-Y379 CarbonylContact O-C 3.35Å; I348-Y379 VanDerWaalsContact O-CA 3.27Å; I348-Y379 WeakPolarHBondContact O-CA 3.24Å; I348-V380 HydrophobicContact CG1-CB 4.11Å; I348-V380 WeakPolarHBondContact CG1-O 3.48Å; I348-V380 PolarHBondContact N-O 3.08Å; I348-V380 PolarHBondContact O-N 3.34Å; I348-D382 HydrophobicContact CD1-CB 3.72Å; I348-D382 HydrophobicContact CG1-CB 4.22Å
349	T	88.3	Confident	88.6	Confident	26 Å²	26	38.3 Å²	38.3	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	157.7	172.3	60.3	0	0	0	0	109.7	M242 I351 E352 A353 E378 Y379	M242-T349 HydrophobicContact CE-CG2 3.87Å; M242-T349 VanDerWaalsContact CE-N 3.3Å; M242-T349 HydrophobicContact CG-CG2 4.24Å; M242-T349 HydrophobicContact SD-CG2 3.65Å; T349-I351 PolarHBondContact O-N 3.38Å; T349-E352 PolarHBondContact O-N 2.93Å; T349-E352 VanDerWaalsContact O-N 3.09Å; T349-E352 WeakPolarHBondContact OG1-CB 3.31Å; T349-E352 PolarHBondContact OG1-N 3.11Å; T349-A353 WeakPolarHBondContact O-CB 3.29Å; T349-A353 PolarHBondContact O-N 3.45Å; T349-E378 WeakPolarHBondContact CA-O 3.31Å; T349-Y379 HydrophobicContact CG2-CD1 4.49Å; T349-Y379 HydrophobicContact CG2-CE1 4.34Å
350	N	84.1	Confident	87.2	Confident	53 Å²	53	38 Å²	38	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-54.9	-39.5	172.5	70.5	-45.2	0	0	0	112.6	E352 A353 E354 P377 E378	N350-E352 VanDerWaalsContact C-N 3.34Å; N350-E352 PolarHBondContact O-N 2.96Å; N350-A353 WeakPolarHBondContact O-CB 3.5Å; N350-A353 PolarHBondContact O-N 3.45Å; N350-E354 WeakPolarHBondContact O-CG 3.5Å; N350-E354 PolarHBondContact O-N 3.41Å; N350-P377 WeakPolarHBondContact CB-O 3.45Å; N350-E378 PolarHBondContact N-O 2.81Å
351	I	85.2	Confident	85.5	Confident	120 Å²	120	43.7 Å²	43.7	62%	0.615	22%	0.221	S	C	*	.	H	α-helix	trans	-61.7	-42.9	176.4	-62.6	170.8	0	0	0	110.9	T349 R355	T349-I351 PolarHBondContact O-N 3.38Å; I351-R355 WeakPolarHBondContact O-CB 3.41Å; I351-R355 PolarHBondContact O-N 2.82Å
352	E	87.7	Confident	83.3	Confident	39 Å²	39	50.2 Å²	50.2	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-36.6	177.1	177.5	59.6	-169.6	0	0	111.4	I348 T349 N350 R355 R356	I348-E352 HydrophobicContact CB-CB 4.16Å; I348-E352 HydrophobicContact CB-CG 3.91Å; I348-E352 HydrophobicContact CD1-CG 4.31Å; I348-E352 HydrophobicContact CG2-CG 4.06Å; T349-E352 PolarHBondContact O-N 2.93Å; T349-E352 VanDerWaalsContact O-N 3.09Å; T349-E352 WeakPolarHBondContact OG1-CB 3.31Å; T349-E352 PolarHBondContact OG1-N 3.11Å; N350-E352 VanDerWaalsContact C-N 3.34Å; N350-E352 PolarHBondContact O-N 2.96Å; E352-R355 PolarHBondContact O-N 2.94Å; E352-R355 IonicContact OE1-CZ 3.32Å; E352-R355 IonicContact OE1-NE 3.01Å; E352-R355 PolarHBondContact OE1-NE 2.84Å; E352-R355 IonicContact OE1-NH2 2.82Å; E352-R355 PolarHBondContact OE1-NH2 3.01Å; E352-R355 IonicContact OE2-CZ 3.26Å; E352-R355 IonicContact OE2-NE 3.06Å; E352-R355 PolarHBondContact OE2-NE 3.37Å; E352-R355 IonicContact OE2-NH2 2.9Å; E352-R356 WeakPolarHBondContact O-CB 3.21Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.31Å; E352-R356 PolarHBondContact O-N 3.04Å; E352-R356 IonicContact OE1-CZ 2.73Å; E352-R356 IonicContact OE1-NE 3.62Å; E352-R356 PolarHBondContact OE1-NE 3.36Å; E352-R356 IonicContact OE1-NH2 3.57Å
353	A	86.8	Confident	81.2	Confident	8 Å²	8	53 Å²	53	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-44.2	174.2	0	0	0	0	0	111.7	I348 T349 N350 R356 G357 L368 V380	I348-A353 VanDerWaalsContact CD1-CA 3.47Å; I348-A353 HydrophobicContact CD1-CB 3.64Å; I348-A353 HydrophobicContact CG1-CB 4.11Å; T349-A353 WeakPolarHBondContact O-CB 3.29Å; T349-A353 PolarHBondContact O-N 3.45Å; N350-A353 WeakPolarHBondContact O-CB 3.5Å; N350-A353 PolarHBondContact O-N 3.45Å; A353-R356 PolarHBondContact O-N 2.89Å; A353-G357 PolarHBondContact O-N 3.28Å; A353-L368 HydrophobicContact CB-CD1 4.41Å; A353-V380 HydrophobicContact CB-CB 3.86Å; A353-V380 HydrophobicContact CB-CG1 4.1Å; A353-V380 HydrophobicContact CB-CG2 3.69Å
354	E	84.1	Confident	79.1	Confident	123 Å²	123	59.1 Å²	59.1	58%	0.575	30%	0.302	S	S	*	.	H	α-helix	trans	-61.6	-44.7	173.4	-74.1	174.3	-166.8	0	0	111.3	N350 R356 G357 N358	N350-E354 WeakPolarHBondContact O-CG 3.5Å; N350-E354 PolarHBondContact O-N 3.41Å; E354-R356 VanDerWaalsContact C-N 3.34Å; E354-R356 PolarHBondContact O-N 3.41Å; E354-G357 PolarHBondContact O-N 3.07Å; E354-N358 PolarHBondContact O-N 3.1Å; E354-N358 PolarHBondContact O-ND2 3.36Å
355	R	85.9	Confident	77.1	Confident	130 Å²	130	61.2 Å²	61.2	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-44.3	177.3	-168.5	-164	68	72.9	-1.5	111.6	I351 E352	I351-R355 WeakPolarHBondContact O-CB 3.41Å; I351-R355 PolarHBondContact O-N 2.82Å; E352-R355 PolarHBondContact O-N 2.94Å; E352-R355 IonicContact OE1-CZ 3.32Å; E352-R355 IonicContact OE1-NE 3.01Å; E352-R355 PolarHBondContact OE1-NE 2.84Å; E352-R355 IonicContact OE1-NH2 2.82Å; E352-R355 PolarHBondContact OE1-NH2 3.01Å; E352-R355 IonicContact OE2-CZ 3.26Å; E352-R355 IonicContact OE2-NE 3.06Å; E352-R355 PolarHBondContact OE2-NE 3.37Å; E352-R355 IonicContact OE2-NH2 2.9Å
356	R	83.4	Confident	75.5	Confident	27 Å²	27	65.4 Å²	65.4	10%	0.102	34%	0.344	C	S	.	.	H	α-helix	trans	-69.9	-40.9	176.9	-71.5	-179	-173.1	-161	4.4	111.8	E346 E352 A353 E354 N358 V359 Y360 D382	E346-R356 VanDerWaalsContact CD-NH2 3.27Å; E346-R356 IonicContact OE1-NH2 2.66Å; E346-R356 PolarHBondContact OE1-NH2 3.41Å; E346-R356 IonicContact OE2-CZ 3.25Å; E346-R356 VanDerWaalsContact OE2-CZ 3.26Å; E346-R356 IonicContact OE2-NH1 3.18Å; E346-R356 PolarHBondContact OE2-NH1 3.38Å; E346-R356 IonicContact OE2-NH2 3.97Å; E346-R356 PolarHBondContact OE2-NH2 3.13Å; E352-R356 WeakPolarHBondContact O-CB 3.21Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.31Å; E352-R356 PolarHBondContact O-N 3.04Å; E352-R356 IonicContact OE1-CZ 2.73Å; E352-R356 IonicContact OE1-NE 3.62Å; E352-R356 PolarHBondContact OE1-NE 3.36Å; E352-R356 IonicContact OE1-NH2 3.57Å; A353-R356 PolarHBondContact O-N 2.89Å; E354-R356 VanDerWaalsContact C-N 3.34Å; E354-R356 PolarHBondContact O-N 3.41Å; R356-N358 PolarHBondContact O-N 3.15Å; R356-V359 CarbonylContact O-C 3.56Å; R356-V359 WeakPolarHBondContact O-CA 3.23Å; R356-V359 VanDerWaalsContact O-CB 3.31Å; R356-V359 WeakPolarHBondContact O-CB 3.37Å; R356-V359 PolarHBondContact O-N 2.82Å; R356-Y360 HydrophobicContact CB-CD2 4.23Å; R356-Y360 HydrophobicContact CB-CE1 4.46Å; R356-Y360 HydrophobicContact CB-CE2 3.62Å; R356-Y360 WeakPolarHBondContact O-CD1 3.39Å; R356-Y360 WeakPolarHBondContact O-CD2 3.5Å; R356-Y360 PolarHBondContact O-N 3.21Å; R356-D382 VanDerWaalsContact CD-OD2 3.31Å; R356-D382 WeakPolarHBondContact CD-OD2 3.38Å; R356-D382 IonicContact CZ-OD2 2.81Å; R356-D382 IonicContact NE-OD2 3.53Å; R356-D382 IonicContact NH1-OD2 3.6Å; R356-D382 PolarHBondContact NH1-OD2 2.91Å
357	G	74	Confident	74.6	Confident	14 Å²	14	67.3 Å²	67.3	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-54.9	-47.6	176.2	0	0	0	0	0	112.2	A353 E354 V359 Y360 D361	A353-G357 PolarHBondContact O-N 3.28Å; E354-G357 PolarHBondContact O-N 3.07Å; G357-V359 PolarHBondContact O-N 3.47Å; G357-V359 VanDerWaalsContact O-N 3.1Å; G357-Y360 CarbonylContact O-C 3.52Å; G357-Y360 WeakPolarHBondContact O-CA 3.23Å; G357-Y360 PolarHBondContact O-N 2.8Å; G357-D361 VanDerWaalsContact O-CG 3.24Å; G357-D361 PolarHBondContact O-N 3.14Å
358	N	73.3	Confident	74.1	Confident	111 Å²	111	69.2 Å²	69.2	59%	0.594	36%	0.361	S	S	*	.	H	α-helix	trans	-58.6	-26.3	174.7	-72.2	-61	0	0	0	113.6	E354 R356	E354-N358 PolarHBondContact O-N 3.1Å; E354-N358 PolarHBondContact O-ND2 3.36Å; R356-N358 PolarHBondContact O-N 3.15Å
359	V	72.3	Confident	73.9	Confident	78 Å²	78	70.3 Å²	70.3	47%	0.473	37%	0.366	S	S	.	.	H	α-helix	trans	-82.1	-42.1	173.5	-178.4	0	0	0	0	110.3	R356 G357 D361 N362	R356-V359 CarbonylContact O-C 3.56Å; R356-V359 WeakPolarHBondContact O-CA 3.23Å; R356-V359 VanDerWaalsContact O-CB 3.31Å; R356-V359 WeakPolarHBondContact O-CB 3.37Å; R356-V359 PolarHBondContact O-N 2.82Å; G357-V359 PolarHBondContact O-N 3.47Å; G357-V359 VanDerWaalsContact O-N 3.1Å; V359-D361 VanDerWaalsContact C-N 3.31Å; V359-D361 PolarHBondContact O-N 3.45Å; V359-N362 PolarHBondContact O-N 3.24Å; V359-N362 PolarHBondContact O-ND2 3.3Å; V359-N362 VanDerWaalsContact O-ND2 3.1Å
360	Y	69.9	Low	73.8	Confident	15 Å²	15	72.9 Å²	72.9	6%	0.059	38%	0.378	C	S	.	.	H	α-helix	trans	-68.6	-23.8	-179.8	-60.4	-22.3	0	0	0	114.1	R356 G357 N362 V363 E364 L368 D382 R384	R356-Y360 HydrophobicContact CB-CD2 4.23Å; R356-Y360 HydrophobicContact CB-CE1 4.46Å; R356-Y360 HydrophobicContact CB-CE2 3.62Å; R356-Y360 WeakPolarHBondContact O-CD1 3.39Å; R356-Y360 WeakPolarHBondContact O-CD2 3.5Å; R356-Y360 PolarHBondContact O-N 3.21Å; G357-Y360 CarbonylContact O-C 3.52Å; G357-Y360 WeakPolarHBondContact O-CA 3.23Å; G357-Y360 PolarHBondContact O-N 2.8Å; Y360-N362 PolarHBondContact O-N 3.05Å; Y360-V363 CarbonylContact O-C 3.56Å; Y360-V363 WeakPolarHBondContact O-CA 3.24Å; Y360-V363 PolarHBondContact O-N 3.47Å; Y360-E364 PolarHBondContact O-N 3.23Å; Y360-E364 VanDerWaalsContact O-N 3.09Å; Y360-L368 HydrophobicContact CE2-CD2 4.39Å; Y360-D382 PolarHBondContact OH-OD2 3.07Å; Y360-R384 HydrophobicContact CE1-CG 4.31Å
361	D	62.2	Low	73.8	Confident	120 Å²	120	70.7 Å²	70.7	64%	0.642	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.2	173.4	-71.6	-20.7	0	0	0	112.1	G357 V359 V363	G357-D361 VanDerWaalsContact O-CG 3.24Å; G357-D361 PolarHBondContact O-N 3.14Å; V359-D361 VanDerWaalsContact C-N 3.31Å; V359-D361 PolarHBondContact O-N 3.45Å; D361-V363 VanDerWaalsContact C-N 3.33Å
362	N	52.5	Low	73.6	Confident	137 Å²	137	68.6 Å²	68.6	73%	0.733	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.1	173.6	-54.9	-66.8	0	0	0	113.7	V359 Y360	V359-N362 PolarHBondContact O-N 3.24Å; V359-N362 PolarHBondContact O-ND2 3.3Å; V359-N362 VanDerWaalsContact O-ND2 3.1Å; Y360-N362 PolarHBondContact O-N 3.05Å
363	V	52.2	Low	73	Confident	72 Å²	72	67.6 Å²	67.6	44%	0.436	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-0.5	-170.6	-161.4	0	0	0	0	112.4	Y360 D361 T365	Y360-V363 CarbonylContact O-C 3.56Å; Y360-V363 WeakPolarHBondContact O-CA 3.24Å; Y360-V363 PolarHBondContact O-N 3.47Å; D361-V363 VanDerWaalsContact C-N 3.33Å; V363-T365 PolarHBondContact O-N 3.19Å; V363-T365 VanDerWaalsContact O-N 3.08Å
364	E	53.6	Low	72.3	Confident	138 Å²	138	68.8 Å²	68.8	65%	0.645	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	22.9	173.7	-62.5	-170.4	149	0	0	116.1	W14 Y360	W14-E364 VanDerWaalsContact NE1-CD 3.26Å; W14-E364 PolarHBondContact NE1-OE1 3.45Å; W14-E364 PolarHBondContact NE1-OE2 2.78Å; Y360-E364 PolarHBondContact O-N 3.23Å; Y360-E364 VanDerWaalsContact O-N 3.09Å
365	T	52.8	Low	71.8	Confident	45 Å²	45	63.5 Å²	63.5	28%	0.276	33%	0.334	S	S	.	.			trans	-137.7	113.8	175	64.7	0	0	0	0	111.2	V363 Y367 R384	V363-T365 PolarHBondContact O-N 3.19Å; V363-T365 VanDerWaalsContact O-N 3.08Å; T365-Y367 HydrophobicContact CG2-CE2 4.4Å; T365-R384 PolarHBondContact OG1-NH1 2.73Å
366	S	61.5	Low	71.2	Confident	88 Å²	88	64.1 Å²	64.1	62%	0.615	35%	0.347	S	S	*	.			trans	-108.7	105.6	168.2	61.9	0	0	0	0	109.5	L368	S366-L368 PolarHBondContact O-N 3.09Å
367	Y	74.2	Confident	71	Confident	64 Å²	64	64.4 Å²	64.4	25%	0.251	35%	0.352	S	S	.	.			trans	-86.1	35.4	171.2	-61.5	-81.6	0	0	0	111.3	Y343 T365 A383 R384 H391	Y343-Y367 PolarHBondContact OH-O 2.68Å; T365-Y367 HydrophobicContact CG2-CE2 4.4Å; Y367-A383 PolarHBondContact O-N 3.48Å; Y367-R384 HydrophobicContact CD2-CB 4.23Å; Y367-H391 AromaticContact CD1-CE1 3.43Å; Y367-H391 VanDerWaalsContact CD1-CE1 3.43Å; Y367-H391 WeakPolarHBondContact CD1-CE1 3.33Å; Y367-H391 AromaticContact CD1-ND1 3.53Å; Y367-H391 AromaticContact CD2-CE1 3.64Å; Y367-H391 AromaticContact CE1-CD2 3.98Å; Y367-H391 AromaticContact CE1-CE1 3.32Å; Y367-H391 WeakPolarHBondContact CE1-CE1 3.36Å; Y367-H391 AromaticContact CE1-ND1 3.79Å; Y367-H391 AromaticContact CE1-NE2 3.45Å; Y367-H391 WeakPolarHBondContact CE1-NE2 3.4Å; Y367-H391 AromaticContact CE2-CE1 3.54Å; Y367-H391 AromaticContact CE2-NE2 3.99Å; Y367-H391 AromaticContact CG-CE1 3.58Å; Y367-H391 AromaticContact CG-ND1 3.78Å; Y367-H391 AromaticContact CZ-CE1 3.37Å; Y367-H391 AromaticContact CZ-NE2 3.43Å
368	L	82.3	Confident	71.3	Confident	46 Å²	46	66.7 Å²	66.7	24%	0.241	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.5	-175.2	-63.1	-178.1	0	0	0	109.2	I348 A353 Y360 S366 V380 I381 D382	I348-L368 HydrophobicContact CD1-CD2 4.19Å; A353-L368 HydrophobicContact CB-CD1 4.41Å; Y360-L368 HydrophobicContact CE2-CD2 4.39Å; S366-L368 PolarHBondContact O-N 3.09Å; L368-V380 HydrophobicContact CB-CG1 3.81Å; L368-V380 HydrophobicContact CD2-CG1 4.03Å; L368-V380 HydrophobicContact CG-CG1 4.41Å; L368-I381 CarbonylContact C-O 3.53Å; L368-I381 WeakPolarHBondContact CA-O 3.45Å; L368-D382 HydrophobicContact CD2-CB 3.61Å
369	F	85.8	Confident	72	Confident	22 Å²	22	62.8 Å²	62.8	10%	0.096	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	109.1	174.7	-160.9	-60.5	0	0	0	109.4	Y343 L371 V380 I381 V403 I418 F434 M438	Y343-F369 HydrophobicContact CD1-CB 3.9Å; Y343-F369 HydrophobicContact CD1-CD2 4.11Å; Y343-F369 HydrophobicContact CD1-CG 4.22Å; Y343-F369 HydrophobicContact CD2-CD2 4.38Å; Y343-F369 HydrophobicContact CE1-CB 3.53Å; Y343-F369 HydrophobicContact CE1-CD2 4.21Å; Y343-F369 HydrophobicContact CE1-CG 4.25Å; Y343-F369 HydrophobicContact CE2-CD2 4.47Å; Y343-F369 HydrophobicContact CG-CD2 4.2Å; F369-L371 HydrophobicContact CD1-CD2 4.43Å; F369-V380 CarbonylContact O-C 3.57Å; F369-V380 WeakPolarHBondContact O-CA 3.45Å; F369-V380 WeakPolarHBondContact O-CG1 3.42Å; F369-I381 HydrophobicContact CB-CB 4.27Å; F369-I381 PolarHBondContact N-O 2.76Å; F369-I381 PolarHBondContact O-N 2.81Å; F369-V403 HydrophobicContact CE2-CG2 4.42Å; F369-V403 HydrophobicContact CZ-CG1 4.03Å; F369-V403 HydrophobicContact CZ-CG2 4.32Å; F369-I418 HydrophobicContact CD1-CG1 4.28Å; F369-I418 HydrophobicContact CD2-CG2 4.41Å; F369-I418 HydrophobicContact CE1-CD1 4.22Å; F369-I418 HydrophobicContact CE1-CG1 4.27Å; F369-I418 HydrophobicContact CE1-CG2 4.14Å; F369-I418 HydrophobicContact CE2-CG2 3.95Å; F369-I418 HydrophobicContact CZ-CG2 3.83Å; F369-F434 HydrophobicContact CE2-CE2 4.29Å; F369-M438 HydrophobicContact CE2-CE 4.19Å; F369-M438 HydrophobicContact CZ-CE 4.19Å
370	D	86	Confident	72.8	Confident	80 Å²	80	59.1 Å²	59.1	43%	0.428	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.5	179.7	-70.7	-18.3	0	0	0	111.6	D372 P377 V380	D370-D372 VanDerWaalsContact C-N 3.32Å; D370-D372 HydrophobicContact CB-CB 4.39Å; D370-D372 PolarHBondContact O-N 2.99Å; D370-P377 HydrophobicContact CB-CB 4.1Å; D370-P377 HydrophobicContact CB-CG 4.05Å; D370-V380 VanDerWaalsContact OD1-CG2 3.29Å; D370-V380 WeakPolarHBondContact OD1-CG2 3.3Å
371	L	84.8	Confident	73.9	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.037	31%	0.311	C	S	.	.			trans	-92.8	61.3	177.3	-55.3	-176.1	0	0	0	110.9	F369 Y379 I381 P416 I418	F369-L371 HydrophobicContact CD1-CD2 4.43Å; L371-Y379 VanDerWaalsContact CB-O 3.3Å; L371-Y379 WeakPolarHBondContact CB-O 3.31Å; L371-Y379 PolarHBondContact N-O 2.84Å; L371-Y379 VanDerWaalsContact N-O 3.08Å; L371-I381 HydrophobicContact CD1-CD1 4.49Å; L371-I381 HydrophobicContact CD1-CG1 4.12Å; L371-I381 HydrophobicContact CD2-CD1 3.85Å; L371-I381 HydrophobicContact CD2-CG1 3.99Å; L371-I381 HydrophobicContact CG-CG1 4.3Å; L371-P416 HydrophobicContact CD2-CG 4.43Å; L371-I418 HydrophobicContact CD2-CD1 3.68Å; L371-I418 HydrophobicContact CD2-CG1 3.69Å
372	D	79.5	Confident	75.3	Confident	76 Å²	76	52.8 Å²	52.8	41%	0.406	28%	0.281	S	S	.	.			trans	-100.2	15.4	-165.4	77.8	-22.6	0	0	0	115	D370 Y374 G375 P377	D370-D372 VanDerWaalsContact C-N 3.32Å; D370-D372 HydrophobicContact CB-CB 4.39Å; D370-D372 PolarHBondContact O-N 2.99Å; D372-Y374 PolarHBondContact O-N 3.06Å; D372-G375 CarbonylContact C-O 3.47Å; D372-G375 VanDerWaalsContact CA-O 3.32Å; D372-G375 WeakPolarHBondContact CA-O 3.43Å; D372-G375 VanDerWaalsContact CB-O 3.31Å; D372-G375 WeakPolarHBondContact CB-O 3.47Å; D372-G375 PolarHBondContact O-N 3.36Å; D372-P377 HydrophobicContact CB-CB 3.99Å; D372-P377 HydrophobicContact CB-CG 4.15Å
373	F	76.6	Confident	77.1	Confident	19 Å²	19	46.3 Å²	46.3	8%	0.083	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.6	-173.7	-67.7	-97	0	0	0	115.2	V403 A405 P416 I418 Y446 L449	F373-V403 HydrophobicContact CZ-CG1 4.07Å; F373-A405 HydrophobicContact CD1-CB 3.54Å; F373-A405 HydrophobicContact CD2-CB 3.99Å; F373-A405 HydrophobicContact CE1-CB 3.51Å; F373-A405 HydrophobicContact CE2-CB 4.01Å; F373-A405 HydrophobicContact CG-CB 3.79Å; F373-A405 HydrophobicContact CZ-CB 3.77Å; F373-P416 HydrophobicContact CD2-CG 4.01Å; F373-P416 HydrophobicContact CE2-CG 4.3Å; F373-I418 HydrophobicContact CD2-CD1 4.46Å; F373-I418 HydrophobicContact CE2-CD1 3.38Å; F373-I418 HydrophobicContact CZ-CD1 3.7Å; F373-Y446 HydrophobicContact CD1-CE1 4.32Å; F373-Y446 AromaticContact CE1-CE1 3.89Å; F373-Y446 HydrophobicContact CE1-CE1 3.89Å; F373-L449 HydrophobicContact CB-CD1 4.03Å; F373-L449 HydrophobicContact CB-CG 4.49Å; F373-L449 HydrophobicContact CD1-CD1 4.34Å; F373-L449 WeakPolarHBondContact O-CB 3.22Å; F373-L449 PolarHBondContact O-N 2.9Å
374	Y	72.3	Confident	78.8	Confident	33 Å²	33	46.1 Å²	46.1	13%	0.129	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	11.4	-179.9	-67.5	-83.3	0	0	0	114.7	D372 W407 P413 L449 K451 Q455	D372-Y374 PolarHBondContact O-N 3.06Å; Y374-W407 AromaticContact CE2-CH2 3.54Å; Y374-W407 HydrophobicContact CE2-CH2 3.54Å; Y374-W407 AromaticContact CE2-CZ2 3.58Å; Y374-W407 HydrophobicContact CE2-CZ2 3.58Å; Y374-P413 HydrophobicContact CD2-CB 3.83Å; Y374-P413 VanDerWaalsContact CD2-O 3.29Å; Y374-P413 WeakPolarHBondContact CD2-O 3.28Å; Y374-P413 HydrophobicContact CE2-CB 3.69Å; Y374-P413 HydrophobicContact CG-CB 4.49Å; Y374-L449 HydrophobicContact CD1-CB 3.68Å; Y374-L449 WeakPolarHBondContact CD1-O 3.32Å; Y374-L449 HydrophobicContact CE1-CB 3.26Å; Y374-L449 HydrophobicContact CE1-CD1 4.35Å; Y374-L449 HydrophobicContact CE1-CG 4.45Å; Y374-L449 HydrophobicContact CE2-CB 4.23Å; Y374-L449 HydrophobicContact CE2-CD1 4.03Å; Y374-L449 HydrophobicContact CG-CB 4.33Å; Y374-K451 HydrophobicContact CD1-CB 4.4Å; Y374-K451 HydrophobicContact CD1-CG 3.42Å; Y374-K451 VanDerWaalsContact CD1-CG 3.42Å; Y374-K451 HydrophobicContact CE1-CB 4.47Å; Y374-K451 HydrophobicContact CE1-CG 3.87Å; Y374-K451 HydrophobicContact CG-CG 4.08Å; Y374-Q455 VanDerWaalsContact CZ-NE2 3.32Å; Y374-Q455 PolarHBondContact OH-NE2 2.89Å; Y374-Q455 PolarHBondContact OH-OE1 3.41Å
375	G	72.1	Confident	80.3	Confident	12 Å²	12	44.2 Å²	44.2	12%	0.124	23%	0.225	C	C	.	.	S	Bend	trans	134.6	-150.3	-174.3	0	0	0	0	0	111.5	D372	D372-G375 CarbonylContact C-O 3.47Å; D372-G375 VanDerWaalsContact CA-O 3.32Å; D372-G375 WeakPolarHBondContact CA-O 3.43Å; D372-G375 VanDerWaalsContact CB-O 3.31Å; D372-G375 WeakPolarHBondContact CB-O 3.47Å; D372-G375 PolarHBondContact O-N 3.36Å
376	D	74.9	Confident	82.2	Confident	143 Å²	143	45 Å²	45	77%	0.765	23%	0.225	S	C	*	.	S	Bend	trans	-65.2	133	-177.6	-53.2	-29.3	0	0	0	110.2	E378	D376-E378 PolarHBondContact O-N 2.9Å
377	P	77.8	Confident	83.8	Confident	32 Å²	32	40.9 Å²	40.9	21%	0.208	20%	0.196	C	C	.	.			trans	-69	125.4	-175.6	27.1	-32.9	0	0	0	110.2	N350 D370 D372	N350-P377 WeakPolarHBondContact CB-O 3.45Å; D370-P377 HydrophobicContact CB-CB 4.1Å; D370-P377 HydrophobicContact CB-CG 4.05Å; D372-P377 HydrophobicContact CB-CB 3.99Å; D372-P377 HydrophobicContact CB-CG 4.15Å
378	E	81.1	Confident	84.8	Confident	63 Å²	63	38 Å²	38	29%	0.294	19%	0.185	S	C	.	.	S	Bend	trans	-85.8	-25.8	167.1	-169.9	172.1	169.6	0	0	111.2	T349 N350 D376 L414 R466	T349-E378 WeakPolarHBondContact CA-O 3.31Å; N350-E378 PolarHBondContact N-O 2.81Å; D376-E378 PolarHBondContact O-N 2.9Å; E378-L414 WeakPolarHBondContact OE2-CD1 3.43Å; E378-R466 IonicContact OE1-CZ 3.95Å; E378-R466 IonicContact OE1-NH1 3.99Å; E378-R466 PolarHBondContact OE1-NH1 2.87Å; E378-R466 IonicContact OE1-NH2 2.67Å
379	Y	88	Confident	85.5	Confident	28 Å²	28	36 Å²	36	11%	0.11	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152	-178.3	-56	-67.2	0	0	0	111.1	M242 I347 I348 T349 L371 L414	M242-Y379 HydrophobicContact CE-CD1 4.15Å; M242-Y379 HydrophobicContact CE-CE1 4.41Å; M242-Y379 HydrophobicContact SD-CD1 3.6Å; M242-Y379 HydrophobicContact SD-CE1 3.29Å; M242-Y379 WeakPolarHBondContact SD-CE1 3.38Å; I347-Y379 HydrophobicContact CG2-CD1 4.43Å; I347-Y379 HydrophobicContact CG2-CG 4.44Å; I348-Y379 CarbonylContact O-C 3.35Å; I348-Y379 VanDerWaalsContact O-CA 3.27Å; I348-Y379 WeakPolarHBondContact O-CA 3.24Å; T349-Y379 HydrophobicContact CG2-CD1 4.49Å; T349-Y379 HydrophobicContact CG2-CE1 4.34Å; L371-Y379 VanDerWaalsContact CB-O 3.3Å; L371-Y379 WeakPolarHBondContact CB-O 3.31Å; L371-Y379 PolarHBondContact N-O 2.84Å; L371-Y379 VanDerWaalsContact N-O 3.08Å; Y379-L414 HydrophobicContact CD2-CB 3.86Å; Y379-L414 WeakPolarHBondContact CD2-O 3.37Å; Y379-L414 HydrophobicContact CE2-CB 3.83Å; Y379-L414 HydrophobicContact CE2-CD1 4.36Å
380	V	89.6	Confident	86	Confident	2 Å²	2	35 Å²	35	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.2	-179.9	-178.4	0	0	0	0	107.5	I347 I348 A353 L368 F369 D370	I347-V380 WeakPolarHBondContact CA-O 3.41Å; I348-V380 HydrophobicContact CG1-CB 4.11Å; I348-V380 WeakPolarHBondContact CG1-O 3.48Å; I348-V380 PolarHBondContact N-O 3.08Å; I348-V380 PolarHBondContact O-N 3.34Å; A353-V380 HydrophobicContact CB-CB 3.86Å; A353-V380 HydrophobicContact CB-CG1 4.1Å; A353-V380 HydrophobicContact CB-CG2 3.69Å; L368-V380 HydrophobicContact CB-CG1 3.81Å; L368-V380 HydrophobicContact CD2-CG1 4.03Å; L368-V380 HydrophobicContact CG-CG1 4.41Å; F369-V380 CarbonylContact O-C 3.57Å; F369-V380 WeakPolarHBondContact O-CA 3.45Å; F369-V380 WeakPolarHBondContact O-CG1 3.42Å; D370-V380 VanDerWaalsContact OD1-CG2 3.29Å; D370-V380 WeakPolarHBondContact OD1-CG2 3.3Å
381	I	92.3	Very high	86.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.2	169.2	-58.2	173.8	0	0	0	108.2	Y343 I347 L368 F369 L371 I418	Y343-I381 HydrophobicContact CD1-CB 4.13Å; Y343-I381 HydrophobicContact CD1-CD1 4.27Å; Y343-I381 HydrophobicContact CD1-CG2 3.77Å; Y343-I381 HydrophobicContact CE1-CB 4.07Å; Y343-I381 HydrophobicContact CE1-CG2 3.72Å; I347-I381 HydrophobicContact CG1-CG1 4.06Å; L368-I381 CarbonylContact C-O 3.53Å; L368-I381 WeakPolarHBondContact CA-O 3.45Å; F369-I381 HydrophobicContact CB-CB 4.27Å; F369-I381 PolarHBondContact N-O 2.76Å; F369-I381 PolarHBondContact O-N 2.81Å; L371-I381 HydrophobicContact CD1-CD1 4.49Å; L371-I381 HydrophobicContact CD1-CG1 4.12Å; L371-I381 HydrophobicContact CD2-CD1 3.85Å; L371-I381 HydrophobicContact CD2-CG1 3.99Å; L371-I381 HydrophobicContact CG-CG1 4.3Å; I381-I418 HydrophobicContact CD1-CB 4.48Å; I381-I418 HydrophobicContact CD1-CG1 3.8Å
382	D	91.7	Very high	86.8	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.3	172.5	-179.7	3.9	0	0	0	110.3	E346 I348 R356 Y360 L368 R384	E346-D382 PolarHBondContact N-O 2.89Å; E346-D382 PolarHBondContact O-N 3.04Å; I348-D382 HydrophobicContact CD1-CB 3.72Å; I348-D382 HydrophobicContact CG1-CB 4.22Å; R356-D382 VanDerWaalsContact CD-OD2 3.31Å; R356-D382 WeakPolarHBondContact CD-OD2 3.38Å; R356-D382 IonicContact CZ-OD2 2.81Å; R356-D382 IonicContact NE-OD2 3.53Å; R356-D382 IonicContact NH1-OD2 3.6Å; R356-D382 PolarHBondContact NH1-OD2 2.91Å; Y360-D382 PolarHBondContact OH-OD2 3.07Å; L368-D382 HydrophobicContact CD2-CB 3.61Å; D382-R384 WeakPolarHBondContact OD1-CB 3.4Å; D382-R384 PolarHBondContact OD1-N 2.83Å
383	A	91.3	Very high	87.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.			trans	-93.6	11	179	0	0	0	0	0	113.8	Y343 T344 Y367 Y385 F386 H391	Y343-A383 HydrophobicContact CE1-CB 4.03Å; Y343-A383 WeakPolarHBondContact OH-CB 3.49Å; T344-A383 WeakPolarHBondContact O-CB 3.4Å; Y367-A383 PolarHBondContact O-N 3.48Å; A383-Y385 PolarHBondContact O-N 2.85Å; A383-F386 CarbonylContact C-O 3.43Å; A383-F386 WeakPolarHBondContact CA-O 3.45Å; A383-H391 HydrophobicContact CB-CB 4.48Å; A383-H391 PolarHBondContact O-CE1 3.21Å; A383-H391 VanDerWaalsContact O-CE1 3.28Å; A383-H391 PolarHBondContact O-ND1 3.02Å
384	R	85.8	Confident	88.3	Confident	69 Å²	69	28 Å²	28	26%	0.26	13%	0.133	S	C	.	.	S	Bend	trans	-59.2	-45.3	-173.8	175.4	64.4	-173.4	-175.1	5.8	113.5	Y360 T365 Y367 D382	Y360-R384 HydrophobicContact CE1-CG 4.31Å; T365-R384 PolarHBondContact OG1-NH1 2.73Å; Y367-R384 HydrophobicContact CD2-CB 4.23Å; D382-R384 WeakPolarHBondContact OD1-CB 3.4Å; D382-R384 PolarHBondContact OD1-N 2.83Å
385	Y	86.5	Confident	89.2	Confident	97 Å²	97	28.5 Å²	28.5	38%	0.38	14%	0.136	S	C	.	.	S	Bend	trans	-111.5	-27.8	-175.5	-62.4	-69.5	0	0	0	113.3	F230 H231 A383	F230-Y385 CarbonylContact C-O 3.58Å; H231-Y385 WeakPolarHBondContact CB-O 3.48Å; H231-Y385 PolarHBondContact N-O 2.62Å; A383-Y385 PolarHBondContact O-N 2.85Å
386	F	92	Very high	90	Very high	63 Å²	63	29.5 Å²	29.5	28%	0.276	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.5	179.8	-60.1	-86.1	0	0	0	107.5	H231 I233 I237 G345 E346 A383	H231-F386 HydrophobicContact CB-CD1 3.6Å; H231-F386 HydrophobicContact CB-CE1 3.84Å; H231-F386 HydrophobicContact CB-CG 4.48Å; H231-F386 AromaticContact CD2-CE1 3.98Å; H231-F386 WeakPolarHBondContact O-CA 3.44Å; I233-F386 HydrophobicContact CD1-CB 3.62Å; I233-F386 HydrophobicContact CG1-CB 3.97Å; I233-F386 HydrophobicContact CG2-CD1 4.34Å; I237-F386 HydrophobicContact CD1-CB 4.16Å; I237-F386 HydrophobicContact CD1-CD1 3.74Å; I237-F386 HydrophobicContact CD1-CD2 3.7Å; I237-F386 HydrophobicContact CD1-CE1 4.01Å; I237-F386 HydrophobicContact CD1-CE2 3.97Å; I237-F386 HydrophobicContact CD1-CG 3.59Å; I237-F386 HydrophobicContact CD1-CZ 4.12Å; I237-F386 HydrophobicContact CG1-CG 4.49Å; G345-F386 VanDerWaalsContact CA-O 3.23Å; G345-F386 WeakPolarHBondContact CA-O 3.07Å; E346-F386 HydrophobicContact CB-CD2 4.47Å; A383-F386 CarbonylContact C-O 3.43Å; A383-F386 WeakPolarHBondContact CA-O 3.45Å
387	G	95.1	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	178.1	175.5	0	0	0	0	0	112	F230 H231 F232 I233 T344	F230-G387 WeakPolarHBondContact CZ-O 3.28Å; H231-G387 PolarHBondContact O-N 3.35Å; H231-G387 VanDerWaalsContact O-N 3.12Å; F232-G387 CarbonylContact C-O 3.6Å; F232-G387 VanDerWaalsContact CA-O 3.23Å; F232-G387 WeakPolarHBondContact CA-O 3.3Å; I233-G387 VanDerWaalsContact CG1-N 3.35Å; I233-G387 PolarHBondContact N-O 3.03Å; T344-G387 WeakPolarHBondContact O-CA 3.09Å
388	N	96.6	Very high	91.3	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.027	15%	0.149	C	C	.	.			trans	-109.9	-160.9	169.4	65.5	5.9	0	0	0	110	F232 I233 E342 T344 S390 H391	F232-N388 HydrophobicContact CD2-CB 4.43Å; F232-N388 HydrophobicContact CE2-CB 3.83Å; F232-N388 HydrophobicContact CZ-CB 4.14Å; I233-N388 WeakPolarHBondContact O-CB 3.32Å; E342-N388 PolarHBondContact O-ND2 3.1Å; E342-N388 PolarHBondContact O-OD1 2.59Å; T344-N388 WeakPolarHBondContact OG1-CB 3.3Å; T344-N388 PolarHBondContact OG1-N 3.47Å; T344-N388 PolarHBondContact OG1-ND2 3.43Å; T344-N388 PolarHBondContact OG1-OD1 3.26Å; N388-S390 PolarHBondContact O-N 3.47Å; N388-S390 VanDerWaalsContact O-N 3.1Å; N388-S390 WeakPolarHBondContact OD1-CB 3.17Å; N388-S390 PolarHBondContact OD1-N 2.77Å; N388-S390 PolarHBondContact OD1-OG 2.86Å; N388-H391 VanDerWaalsContact O-CB 3.31Å; N388-H391 WeakPolarHBondContact O-CB 3.04Å; N388-H391 PolarHBondContact O-N 2.83Å; N388-H391 VanDerWaalsContact O-N 3.16Å
389	E	96.6	Very high	91.9	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.014	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-52.7	-27.6	174.6	53.7	-88.2	-160.7	0	0	114.5	F232 R311 I315 I317 V328 M341 H391 F392	F232-E389 VanDerWaalsContact CE2-OE2 3.27Å; F232-E389 WeakPolarHBondContact CE2-OE2 3.44Å; F232-E389 VanDerWaalsContact CZ-OE2 3.3Å; F232-E389 WeakPolarHBondContact CZ-OE2 3.45Å; R311-E389 WeakPolarHBondContact CD-OE1 3.27Å; R311-E389 IonicContact CZ-OE1 3.49Å; R311-E389 IonicContact NE-OE1 3.48Å; R311-E389 PolarHBondContact NE-OE1 3.39Å; R311-E389 IonicContact NH2-OE1 2.68Å; I315-E389 HydrophobicContact CD1-CB 3.62Å; I315-E389 HydrophobicContact CD1-CG 3.87Å; I315-E389 HydrophobicContact CG1-CG 4.45Å; I317-E389 HydrophobicContact CD1-CB 4.29Å; I317-E389 HydrophobicContact CG1-CB 4.35Å; V328-E389 HydrophobicContact CG2-CB 4.49Å; V328-E389 VanDerWaalsContact CG2-O 3.23Å; V328-E389 WeakPolarHBondContact CG2-O 3.3Å; M341-E389 HydrophobicContact CE-CG 4.1Å; M341-E389 HydrophobicContact SD-CG 3.74Å; E389-H391 PolarHBondContact O-N 3.47Å; E389-F392 PolarHBondContact O-N 3.14Å
390	S	96.3	Very high	92.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-62.4	-24.4	-179.8	70.1	0	0	0	0	113.8	E342 Y343 N388 F392 L393	E342-S390 WeakPolarHBondContact O-CB 3.34Å; E342-S390 PolarHBondContact O-OG 3.24Å; Y343-S390 VanDerWaalsContact CA-OG 3.32Å; Y343-S390 WeakPolarHBondContact CA-OG 3.36Å; Y343-S390 WeakPolarHBondContact CD2-OG 3.29Å; N388-S390 PolarHBondContact O-N 3.47Å; N388-S390 VanDerWaalsContact O-N 3.1Å; N388-S390 WeakPolarHBondContact OD1-CB 3.17Å; N388-S390 PolarHBondContact OD1-N 2.77Å; N388-S390 PolarHBondContact OD1-OG 2.86Å; S390-F392 PolarHBondContact O-N 3.15Å; S390-L393 WeakPolarHBondContact O-CB 3.18Å; S390-L393 PolarHBondContact O-N 3.47Å; S390-L393 VanDerWaalsContact O-N 3.13Å
391	H	92.7	Very high	92.7	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.056	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31.4	172.9	172.3	98	0	0	0	111.8	F230 Y367 A383 N388 E389	F230-H391 HydrophobicContact CE2-CB 3.85Å; F230-H391 AromaticContact CE2-CD2 3.91Å; F230-H391 AromaticContact CE2-CG 3.55Å; F230-H391 AromaticContact CE2-ND1 3.68Å; F230-H391 HydrophobicContact CZ-CB 4.03Å; Y367-H391 AromaticContact CD1-CE1 3.43Å; Y367-H391 VanDerWaalsContact CD1-CE1 3.43Å; Y367-H391 WeakPolarHBondContact CD1-CE1 3.33Å; Y367-H391 AromaticContact CD1-ND1 3.53Å; Y367-H391 AromaticContact CD2-CE1 3.64Å; Y367-H391 AromaticContact CE1-CD2 3.98Å; Y367-H391 AromaticContact CE1-CE1 3.32Å; Y367-H391 WeakPolarHBondContact CE1-CE1 3.36Å; Y367-H391 AromaticContact CE1-ND1 3.79Å; Y367-H391 AromaticContact CE1-NE2 3.45Å; Y367-H391 WeakPolarHBondContact CE1-NE2 3.4Å; Y367-H391 AromaticContact CE2-CE1 3.54Å; Y367-H391 AromaticContact CE2-NE2 3.99Å; Y367-H391 AromaticContact CG-CE1 3.58Å; Y367-H391 AromaticContact CG-ND1 3.78Å; Y367-H391 AromaticContact CZ-CE1 3.37Å; Y367-H391 AromaticContact CZ-NE2 3.43Å; A383-H391 HydrophobicContact CB-CB 4.48Å; A383-H391 PolarHBondContact O-CE1 3.21Å; A383-H391 VanDerWaalsContact O-CE1 3.28Å; A383-H391 PolarHBondContact O-ND1 3.02Å; N388-H391 VanDerWaalsContact O-CB 3.31Å; N388-H391 WeakPolarHBondContact O-CB 3.04Å; N388-H391 PolarHBondContact O-N 2.83Å; N388-H391 VanDerWaalsContact O-N 3.16Å; E389-H391 PolarHBondContact O-N 3.47Å
392	F	94.7	Very high	92.8	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.035	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-95.2	7.2	-176.7	-52.6	-73.1	0	0	0	113.1	W199 P227 F230 I317 W326 G327 V328 E389 S390 N394	W199-F392 HydrophobicContact CH2-CE1 4.08Å; W199-F392 HydrophobicContact CH2-CE2 4.01Å; W199-F392 AromaticContact CH2-CZ 3.58Å; W199-F392 HydrophobicContact CH2-CZ 3.58Å; W199-F392 HydrophobicContact CZ2-CE1 4.42Å; W199-F392 AromaticContact CZ2-CE2 3.89Å; W199-F392 HydrophobicContact CZ2-CE2 3.89Å; W199-F392 AromaticContact CZ2-CZ 3.53Å; W199-F392 HydrophobicContact CZ2-CZ 3.53Å; P227-F392 HydrophobicContact CG-CE1 3.68Å; P227-F392 HydrophobicContact CG-CZ 3.96Å; F230-F392 HydrophobicContact CD1-CZ 4.18Å; F230-F392 AromaticContact CE1-CE2 3.91Å; F230-F392 HydrophobicContact CE1-CE2 3.91Å; F230-F392 AromaticContact CE1-CZ 3.91Å; F230-F392 HydrophobicContact CE1-CZ 3.91Å; F230-F392 HydrophobicContact CE2-CZ 4.34Å; F230-F392 AromaticContact CZ-CE2 3.9Å; F230-F392 HydrophobicContact CZ-CE2 3.9Å; F230-F392 AromaticContact CZ-CZ 3.98Å; F230-F392 HydrophobicContact CZ-CZ 3.98Å; I317-F392 HydrophobicContact CD1-CD2 3.72Å; I317-F392 HydrophobicContact CD1-CE2 3.86Å; I317-F392 HydrophobicContact CG1-CD2 4.08Å; I317-F392 HydrophobicContact CG2-CB 4.4Å; I317-F392 HydrophobicContact CG2-CD1 4.5Å; I317-F392 HydrophobicContact CG2-CD2 4.08Å; I317-F392 HydrophobicContact CG2-CG 4.06Å; W326-F392 HydrophobicContact CB-CB 4.26Å; W326-F392 HydrophobicContact CB-CD1 3.51Å; W326-F392 HydrophobicContact CB-CE1 4.27Å; W326-F392 HydrophobicContact CB-CG 4.2Å; W326-F392 HydrophobicContact CG-CD1 4.09Å; W326-F392 HydrophobicContact CG-CE1 4.39Å; G327-F392 CarbonylContact C-O 3.46Å; G327-F392 VanDerWaalsContact CA-O 3.25Å; G327-F392 WeakPolarHBondContact CA-O 3.5Å; V328-F392 HydrophobicContact CG2-CB 3.74Å; E389-F392 PolarHBondContact O-N 3.14Å; S390-F392 PolarHBondContact O-N 3.15Å; F392-N394 PolarHBondContact O-N 3.13Å
393	L	95	Very high	92.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-72.6	126.6	175.9	-70.3	170.1	0	0	0	110.2	V328 M341 S390 L401 F420 L432 F434 Y436	V328-L393 HydrophobicContact CB-CD2 3.94Å; V328-L393 HydrophobicContact CG2-CD2 4.14Å; V328-L393 HydrophobicContact CG2-CG 4.43Å; M341-L393 HydrophobicContact CE-CD2 4.3Å; M341-L393 HydrophobicContact CG-CD1 4.49Å; M341-L393 HydrophobicContact SD-CD1 3.78Å; M341-L393 HydrophobicContact SD-CD2 4.22Å; M341-L393 HydrophobicContact SD-CG 4.13Å; S390-L393 WeakPolarHBondContact O-CB 3.18Å; S390-L393 PolarHBondContact O-N 3.47Å; S390-L393 VanDerWaalsContact O-N 3.13Å; L393-L401 HydrophobicContact CD1-CD1 3.88Å; L393-L401 HydrophobicContact CD2-CD1 3.86Å; L393-F420 HydrophobicContact CD1-CD1 4.48Å; L393-F420 HydrophobicContact CD1-CD2 4.02Å; L393-F420 HydrophobicContact CD1-CE1 4.25Å; L393-F420 HydrophobicContact CD1-CE2 3.75Å; L393-F420 HydrophobicContact CD1-CG 4.37Å; L393-F420 HydrophobicContact CD1-CZ 3.89Å; L393-L432 HydrophobicContact CD2-CB 3.57Å; L393-L432 VanDerWaalsContact CD2-O 3.28Å; L393-L432 WeakPolarHBondContact CD2-O 3.43Å; L393-F434 HydrophobicContact CB-CD1 3.62Å; L393-F434 HydrophobicContact CB-CE1 3.67Å; L393-F434 HydrophobicContact CD1-CD1 4.01Å; L393-F434 HydrophobicContact CD1-CE1 4.32Å; L393-F434 HydrophobicContact CG-CD1 4.46Å; L393-Y436 WeakPolarHBondContact O-CE1 3.49Å; L393-Y436 PolarHBondContact O-OH 3.43Å
394	N	92.6	Very high	93	Very high	15 Å²	15	28.6 Å²	28.6	8%	0.08	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	161.3	177.8	-73.8	-48.1	0	0	0	112.8	R324 W326 G327 F392 E431 T433 F434 Y436	R324-N394 VanDerWaalsContact NH1-CB 3.34Å; R324-N394 PolarHBondContact NH1-ND2 3Å; W326-N394 PolarHBondContact O-ND2 2.67Å; W326-N394 PolarHBondContact O-OD1 2.98Å; G327-N394 WeakPolarHBondContact CA-ND2 3.32Å; F392-N394 PolarHBondContact O-N 3.13Å; N394-E431 WeakPolarHBondContact CB-OE1 3.31Å; N394-E431 PolarHBondContact ND2-OE1 3.17Å; N394-T433 HydrophobicContact CB-CG2 4.37Å; N394-T433 VanDerWaalsContact O-CA 3.27Å; N394-T433 WeakPolarHBondContact O-CA 3.21Å; N394-T433 WeakPolarHBondContact O-CB 3.4Å; N394-F434 PolarHBondContact O-N 3.24Å; N394-F434 VanDerWaalsContact O-N 3.12Å; N394-Y436 WeakPolarHBondContact CA-OH 3.49Å
395	H	90.2	Very high	93.3	Very high	42 Å²	42	25.4 Å²	25.4	19%	0.194	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	143.2	170.9	-178.9	49.8	0	0	0	111.9	F434 D435 Y436	H395-F434 VanDerWaalsContact CA-O 3.27Å; H395-F434 WeakPolarHBondContact CA-O 3.43Å; H395-F434 PolarHBondContact ND1-O 2.88Å; H395-F434 VanDerWaalsContact ND1-O 3.13Å; H395-D435 IonicContact CE1-OD1 3.94Å; H395-D435 PolarHBondContact CE1-OD1 3Å; H395-D435 WeakPolarHBondContact ND1-CA 3.31Å; H395-D435 IonicContact ND1-OD1 3.87Å; H395-Y436 HydrophobicContact CB-CD1 3.81Å; H395-Y436 HydrophobicContact CB-CD2 3.81Å; H395-Y436 HydrophobicContact CB-CE1 3.9Å; H395-Y436 HydrophobicContact CB-CE2 3.88Å; H395-Y436 HydrophobicContact CB-CG 3.78Å; H395-Y436 PolarHBondContact ND1-N 3.13Å; H395-Y436 VanDerWaalsContact ND1-N 3.14Å
396	S	90.1	Very high	93.7	Very high	33 Å²	33	20.8 Å²	20.8	23%	0.231	11%	0.114	C	C	.	.			trans	-138.8	144.4	158.8	176	0	0	0	0	110.1	D398 P399 T433 F434	S396-D398 VanDerWaalsContact C-N 3.29Å; S396-D398 PolarHBondContact OG-N 3.31Å; S396-D398 PolarHBondContact OG-O 3.47Å; S396-P399 WeakPolarHBondContact O-CD 3.42Å; S396-T433 VanDerWaalsContact CB-OG1 3.26Å; S396-T433 WeakPolarHBondContact CB-OG1 3.36Å; S396-F434 PolarHBondContact N-O 3Å; S396-F434 VanDerWaalsContact N-O 3.1Å
397	C	88	Confident	93.7	Very high	84 Å²	84	17.9 Å²	17.9	57%	0.568	10%	0.101	S	C	*	.	S	Bend	trans	-74.8	-19.8	169.4	-78.2	0	0	0	0	112.8	P399	C397-P399 VanDerWaalsContact C-CD 3.49Å
398	D	90.4	Very high	93.6	Very high	105 Å²	105	18 Å²	18	56%	0.561	10%	0.101	S	C	*	.	S	Bend	trans	-121.6	75.6	164.5	-174.7	31.3	0	0	0	109.2	S396 K423	S396-D398 VanDerWaalsContact C-N 3.29Å; S396-D398 PolarHBondContact OG-N 3.31Å; S396-D398 PolarHBondContact OG-O 3.47Å; D398-K423 IonicContact OD1-NZ 3.39Å; D398-K423 PolarHBondContact OD1-NZ 3.38Å
399	P	95.3	Very high	93	Very high	14 Å²	14	20.1 Å²	20.1	9%	0.091	11%	0.112	C	C	.	.			trans	-72.9	151.9	-176.4	31.2	-35.4	0	0	0	111.3	S396 C397 K423 T433 F434 D435	S396-P399 WeakPolarHBondContact O-CD 3.42Å; C397-P399 VanDerWaalsContact C-CD 3.49Å; P399-K423 WeakPolarHBondContact O-CD 3.3Å; P399-T433 VanDerWaalsContact CB-O 3.29Å; P399-T433 WeakPolarHBondContact CB-O 3.29Å; P399-F434 VanDerWaalsContact CB-CA 3.43Å; P399-D435 HydrophobicContact CG-CB 4.13Å
400	N	97.4	Very high	92	Very high	2 Å²	2	21 Å²	21	1%	0.011	12%	0.116	C	C	.	.	S	Bend	trans	-93.8	-10.5	171.9	57.9	17.7	0	0	0	113.1	K423 I426 E430 E431 L432 T433	N400-K423 WeakPolarHBondContact O-CB 3.43Å; N400-K423 PolarHBondContact O-N 3.07Å; N400-I426 HydrophobicContact CB-CD1 3.91Å; N400-I426 HydrophobicContact CB-CG1 4.1Å; N400-E430 PolarHBondContact ND2-OE1 2.69Å; N400-E431 PolarHBondContact ND2-O 3.26Å; N400-L432 WeakPolarHBondContact OD1-CA 3.16Å; N400-T433 PolarHBondContact N-O 2.86Å; N400-T433 PolarHBondContact OD1-N 3.24Å; N400-T433 PolarHBondContact OD1-O 2.8Å
401	L	97.3	Very high	91	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	147.7	171	-58.8	-179.5	0	0	0	112.2	V340 L393 F420 F421 I426 L432 T433 F434	V340-L401 HydrophobicContact CB-CD2 4.06Å; V340-L401 HydrophobicContact CG1-CD2 4.18Å; V340-L401 HydrophobicContact CG2-CD2 3.71Å; L393-L401 HydrophobicContact CD1-CD1 3.88Å; L393-L401 HydrophobicContact CD2-CD1 3.86Å; L401-F420 HydrophobicContact CB-CB 4.36Å; L401-F420 HydrophobicContact CB-CD1 4.09Å; L401-F420 HydrophobicContact CD1-CB 4.04Å; L401-F420 HydrophobicContact CD1-CD1 4.15Å; L401-F420 HydrophobicContact CD1-CG 4.17Å; L401-F420 HydrophobicContact CD2-CB 4.5Å; L401-F421 CarbonylContact C-O 3.43Å; L401-F421 WeakPolarHBondContact CA-O 3.48Å; L401-I426 HydrophobicContact CD2-CD1 4.21Å; L401-L432 HydrophobicContact CD1-CB 4.03Å; L401-L432 HydrophobicContact CD2-CD2 4.3Å; L401-L432 HydrophobicContact CG-CB 4.45Å; L401-T433 VanDerWaalsContact CB-O 3.3Å; L401-T433 WeakPolarHBondContact CB-O 3.39Å; L401-T433 PolarHBondContact N-O 3.45Å; L401-F434 HydrophobicContact CB-CB 4.29Å
402	Q	94.3	Very high	90.2	Very high	36 Å²	36	21.1 Å²	21.1	17%	0.168	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.1	172.6	-179.6	61.5	73.1	0	0	109.7	P285 F404 F420 F421 K423 Y446	P285-Q402 HydrophobicContact CB-CG 3.93Å; P285-Q402 HydrophobicContact CG-CG 3.85Å; Q402-F404 HydrophobicContact CB-CE2 4.24Å; Q402-F404 HydrophobicContact CG-CD2 4.18Å; Q402-F404 HydrophobicContact CG-CE2 3.59Å; Q402-F404 HydrophobicContact CG-CZ 4.39Å; Q402-F420 WeakPolarHBondContact O-CA 3.48Å; Q402-F421 PolarHBondContact N-O 2.93Å; Q402-F421 PolarHBondContact O-N 3.4Å; Q402-K423 HydrophobicContact CB-CB 4.31Å; Q402-Y446 PolarHBondContact NE2-OH 3.33Å
403	V	93.2	Very high	89.2	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.3	177.1	168.3	0	0	0	0	112.1	F369 F373 I418 A419 F420 M438 Y446	F369-V403 HydrophobicContact CE2-CG2 4.42Å; F369-V403 HydrophobicContact CZ-CG1 4.03Å; F369-V403 HydrophobicContact CZ-CG2 4.32Å; F373-V403 HydrophobicContact CZ-CG1 4.07Å; V403-I418 HydrophobicContact CG1-CG2 3.77Å; V403-I418 HydrophobicContact CG2-CG2 4.44Å; V403-A419 CarbonylContact C-O 3.52Å; V403-A419 WeakPolarHBondContact CA-O 3.45Å; V403-F420 HydrophobicContact CG2-CD1 3.45Å; V403-F420 VanDerWaalsContact CG2-CD1 3.45Å; V403-F420 HydrophobicContact CG2-CE1 3.2Å; V403-F420 HydrophobicContact CG2-CG 4.45Å; V403-F420 HydrophobicContact CG2-CZ 4.06Å; V403-M438 HydrophobicContact CB-CE 3.87Å; V403-M438 HydrophobicContact CB-SD 4.19Å; V403-M438 HydrophobicContact CG2-CE 3.26Å; V403-M438 HydrophobicContact CG2-SD 4.21Å; V403-Y446 PolarHBondContact O-OH 3.13Å
404	F	93.5	Very high	88.5	Confident	6 Å²	6	22.4 Å²	22.4	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.5	168.8	-77.5	-100.7	0	0	0	110.2	L281 I283 C284 P285 R287 I289 Q402 V406 A419 F421	L281-F404 HydrophobicContact CD1-CD2 3.88Å; L281-F404 HydrophobicContact CD1-CE1 4.18Å; L281-F404 HydrophobicContact CD1-CE2 3.3Å; L281-F404 HydrophobicContact CD1-CZ 3.47Å; L281-F404 VanDerWaalsContact CD1-CZ 3.47Å; I283-F404 HydrophobicContact CD1-CD1 4.36Å; I283-F404 HydrophobicContact CD1-CE1 4.11Å; I283-F404 HydrophobicContact CG1-CE1 4.13Å; C284-F404 WeakPolarHBondContact O-CE1 3.36Å; P285-F404 HydrophobicContact CB-CZ 4.24Å; P285-F404 HydrophobicContact CG-CZ 4.23Å; R287-F404 WeakPolarHBondContact O-CD1 3.27Å; I289-F404 HydrophobicContact CD1-CB 3.8Å; I289-F404 HydrophobicContact CD1-CD1 3.81Å; I289-F404 HydrophobicContact CD1-CG 3.95Å; I289-F404 HydrophobicContact CG1-CD1 4.18Å; Q402-F404 HydrophobicContact CB-CE2 4.24Å; Q402-F404 HydrophobicContact CG-CD2 4.18Å; Q402-F404 HydrophobicContact CG-CE2 3.59Å; Q402-F404 HydrophobicContact CG-CZ 4.39Å; F404-V406 HydrophobicContact CB-CG2 4.49Å; F404-A419 PolarHBondContact N-O 3.06Å; F404-A419 PolarHBondContact O-N 2.88Å; F404-F421 HydrophobicContact CB-CD2 4.16Å; F404-F421 HydrophobicContact CB-CE2 4.11Å; F404-F421 HydrophobicContact CD2-CB 4.37Å; F404-F421 AromaticContact CD2-CD2 3.66Å; F404-F421 HydrophobicContact CD2-CD2 3.66Å; F404-F421 HydrophobicContact CD2-CE2 4.35Å; F404-F421 HydrophobicContact CD2-CG 4.32Å; F404-F421 HydrophobicContact CE2-CB 4.44Å; F404-F421 HydrophobicContact CE2-CD2 4.42Å; F404-F421 HydrophobicContact CG-CD2 4.14Å; F404-F421 HydrophobicContact CG-CE2 4.39Å
405	A	92.8	Very high	88.1	Confident	2 Å²	2	22 Å²	22	2%	0.017	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.7	168	0	0	0	0	0	110.1	I289 F373 W407 P416	I289-A405 PolarHBondContact N-O 2.76Å; F373-A405 HydrophobicContact CD1-CB 3.54Å; F373-A405 HydrophobicContact CD2-CB 3.99Å; F373-A405 HydrophobicContact CE1-CB 3.51Å; F373-A405 HydrophobicContact CE2-CB 4.01Å; F373-A405 HydrophobicContact CG-CB 3.79Å; F373-A405 HydrophobicContact CZ-CB 3.77Å; A405-W407 HydrophobicContact CB-CH2 3.49Å; A405-W407 VanDerWaalsContact CB-CH2 3.49Å; A405-W407 HydrophobicContact CB-CZ2 4.38Å; A405-W407 HydrophobicContact CB-CZ3 3.6Å; A405-W407 WeakPolarHBondContact O-CZ3 3.21Å; A405-P416 HydrophobicContact CB-CB 3.71Å; A405-P416 HydrophobicContact CB-CG 4.1Å
406	V	94.4	Very high	88.1	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.3	-172	-172.7	0	0	0	0	110.4	I289 E291 V307 F404 I408 R417 A419	I289-V406 HydrophobicContact CB-CB 4.4Å; I289-V406 HydrophobicContact CB-CG1 4.23Å; I289-V406 HydrophobicContact CB-CG2 4.07Å; I289-V406 HydrophobicContact CD1-CG2 4.21Å; I289-V406 HydrophobicContact CG2-CG1 3.87Å; I289-V406 HydrophobicContact CG2-CG2 4.36Å; I289-V406 WeakPolarHBondContact O-CA 3.29Å; E291-V406 HydrophobicContact CG-CG1 4.18Å; V307-V406 HydrophobicContact CB-CG1 4.26Å; V307-V406 HydrophobicContact CG1-CG1 4.39Å; V307-V406 HydrophobicContact CG2-CG1 4.25Å; V307-V406 HydrophobicContact CG2-CG2 4.16Å; F404-V406 HydrophobicContact CB-CG2 4.49Å; V406-I408 HydrophobicContact CG1-CD1 4.13Å; V406-I408 HydrophobicContact CG1-CG1 3.92Å; V406-R417 HydrophobicContact CB-CB 4.27Å; V406-R417 PolarHBondContact N-O 3.42Å; V406-R417 PolarHBondContact O-N 2.99Å; V406-A419 HydrophobicContact CG2-CB 3.56Å
407	W	92.5	Very high	88.3	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	174.6	-71.1	-85.3	0	0	0	110.4	P288 I289 Y290 E291 Y374 A405 Y411 N412 P416 L449	P288-W407 HydrophobicContact CB-CE3 4.2Å; P288-W407 HydrophobicContact CB-CH2 4.48Å; P288-W407 HydrophobicContact CB-CZ3 3.57Å; I289-W407 PolarHBondContact O-N 2.93Å; Y290-W407 WeakPolarHBondContact CA-O 3.04Å; Y290-W407 HydrophobicContact CD1-CB 3.57Å; Y290-W407 HydrophobicContact CD1-CG 4.29Å; Y290-W407 HydrophobicContact CE1-CB 3.72Å; Y290-W407 HydrophobicContact CE1-CD2 4.06Å; Y290-W407 HydrophobicContact CE1-CE3 4.09Å; Y290-W407 AromaticContact CE1-CG 3.94Å; Y290-W407 HydrophobicContact CE1-CG 3.94Å; Y290-W407 HydrophobicContact CE2-CE3 4.46Å; Y290-W407 HydrophobicContact CG-CB 4.49Å; E291-W407 PolarHBondContact N-O 3.08Å; Y374-W407 AromaticContact CE2-CH2 3.54Å; Y374-W407 HydrophobicContact CE2-CH2 3.54Å; Y374-W407 AromaticContact CE2-CZ2 3.58Å; Y374-W407 HydrophobicContact CE2-CZ2 3.58Å; A405-W407 HydrophobicContact CB-CH2 3.49Å; A405-W407 VanDerWaalsContact CB-CH2 3.49Å; A405-W407 HydrophobicContact CB-CZ2 4.38Å; A405-W407 HydrophobicContact CB-CZ3 3.6Å; A405-W407 WeakPolarHBondContact O-CZ3 3.21Å; W407-Y411 HydrophobicContact CB-CD1 3.8Å; W407-Y411 HydrophobicContact CB-CE1 4.33Å; W407-N412 PolarHBondContact NE1-O 3.49Å; W407-P416 HydrophobicContact CD2-CB 4.29Å; W407-P416 HydrophobicContact CH2-CB 3.94Å; W407-P416 HydrophobicContact CH2-CG 4.42Å; W407-P416 HydrophobicContact CZ2-CB 3.51Å; W407-P416 HydrophobicContact CZ2-CG 3.93Å; W407-P416 HydrophobicContact CZ3-CB 4.49Å; W407-L449 HydrophobicContact CH2-CD1 4.09Å; W407-L449 HydrophobicContact CZ3-CD1 4.4Å
408	I	91.5	Very high	88.6	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.01	9%	0.086	C	C	.	.	S	Bend	trans	-134.2	-75.9	-175	-37.9	-168.9	0	0	0	110.5	E291 C292 S293 V307 Q308 V406 Y411	E291-I408 HydrophobicContact CB-CB 4.39Å; E291-I408 HydrophobicContact CB-CD1 4.2Å; E291-I408 HydrophobicContact CB-CG1 3.99Å; E291-I408 HydrophobicContact CB-CG2 3.94Å; E291-I408 HydrophobicContact CG-CD1 4.34Å; E291-I408 HydrophobicContact CG-CG1 4.42Å; C292-I408 WeakPolarHBondContact O-CG2 3.22Å; S293-I408 WeakPolarHBondContact CB-O 2.87Å; V307-I408 HydrophobicContact CB-CD1 4.46Å; Q308-I408 HydrophobicContact CB-CD1 3.72Å; Q308-I408 HydrophobicContact CB-CG2 4.42Å; V406-I408 HydrophobicContact CG1-CD1 4.13Å; V406-I408 HydrophobicContact CG1-CG1 3.92Å; I408-Y411 WeakPolarHBondContact O-CE1 3.05Å
409	Q	83.7	Confident	88.9	Confident	51 Å²	51	12.3 Å²	12.3	24%	0.238	6%	0.06	C	C	.	.	S	Bend	trans	-86.6	-32.9	-176.6	-103.2	58.7	19.3	0	0	112.6	E247 T248 S294	E247-Q409 CarbonylContact C-O 3.54Å; E247-Q409 VanDerWaalsContact CA-O 3.27Å; E247-Q409 WeakPolarHBondContact CA-O 3.39Å; E247-Q409 HydrophobicContact CG-CB 4.36Å; E247-Q409 HydrophobicContact CG-CG 4.49Å; T248-Q409 PolarHBondContact N-O 3.14Å; T248-Q409 PolarHBondContact OG1-O 3.18Å; T248-Q409 VanDerWaalsContact OG1-O 3.1Å; S294-Q409 PolarHBondContact OG-NE2 3.14Å
410	N	76	Confident	89	Confident	22 Å²	22	11.7 Å²	11.7	12%	0.118	6%	0.055	C	C	.	.			trans	-119.2	134.4	174.8	78.5	82.7	0	0	0	107.8	P245 N412	P245-N410 HydrophobicContact CB-CB 3.69Å; N410-N412 VanDerWaalsContact C-N 3.32Å; N410-N412 PolarHBondContact OD1-N 2.94Å
411	Y	75.2	Confident	89.1	Confident	4 Å²	4	11.6 Å²	11.6	2%	0.016	6%	0.055	C	C	.	.			trans	-102.2	28.6	173.9	-59.9	-14.7	0	0	0	110.5	T248 F250 M269 Y290 E291 W407 I408 P413	T248-Y411 HydrophobicContact CG2-CD1 4.29Å; T248-Y411 HydrophobicContact CG2-CD2 3.79Å; T248-Y411 HydrophobicContact CG2-CG 3.65Å; F250-Y411 HydrophobicContact CD2-CE2 4.38Å; F250-Y411 AromaticContact CE2-CD2 3.73Å; F250-Y411 HydrophobicContact CE2-CD2 3.73Å; F250-Y411 AromaticContact CE2-CE2 3.62Å; F250-Y411 HydrophobicContact CE2-CE2 3.62Å; F250-Y411 AromaticContact CZ-CD2 3.91Å; F250-Y411 HydrophobicContact CZ-CD2 3.91Å; F250-Y411 HydrophobicContact CZ-CE2 4.27Å; M269-Y411 HydrophobicContact CE-CD2 4.35Å; M269-Y411 HydrophobicContact CG-CE2 4.41Å; M269-Y411 HydrophobicContact SD-CD2 3.76Å; M269-Y411 HydrophobicContact SD-CE2 4.07Å; Y290-Y411 HydrophobicContact CD1-CD1 4.03Å; Y290-Y411 HydrophobicContact CD1-CE1 4.1Å; Y290-Y411 HydrophobicContact CD1-CG 4.27Å; Y290-Y411 HydrophobicContact CE1-CD1 4.42Å; Y290-Y411 HydrophobicContact CE1-CG 4.33Å; E291-Y411 PolarHBondContact O-OH 3.1Å; W407-Y411 HydrophobicContact CB-CD1 3.8Å; W407-Y411 HydrophobicContact CB-CE1 4.33Å; I408-Y411 WeakPolarHBondContact O-CE1 3.05Å; Y411-P413 WeakPolarHBondContact O-CD 3.21Å
412	N	76.9	Confident	89.1	Confident	10 Å²	10	11.7 Å²	11.7	5%	0.053	6%	0.056	C	C	.	.			trans	-67.7	111	172.6	178.9	1.1	0	0	0	107.8	W407 N410 L414 C415 Y462	W407-N412 PolarHBondContact NE1-O 3.49Å; N410-N412 VanDerWaalsContact C-N 3.32Å; N410-N412 PolarHBondContact OD1-N 2.94Å; N412-L414 PolarHBondContact O-N 3.4Å; N412-L414 WeakPolarHBondContact OD1-CB 3.29Å; N412-L414 PolarHBondContact OD1-N 2.89Å; N412-L414 VanDerWaalsContact OD1-N 3.13Å; N412-C415 HydrophobicContact CB-CB 4.45Å; N412-C415 PolarHBondContact O-N 2.81Å; N412-Y462 HydrophobicContact CB-CE1 4.34Å; N412-Y462 HydrophobicContact CB-CE2 4.24Å
413	P	74.1	Confident	89.2	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.013	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.8	-175.4	22.3	-31	0	0	0	113.9	Y374 Y411 Q455 I459	Y374-P413 HydrophobicContact CD2-CB 3.83Å; Y374-P413 VanDerWaalsContact CD2-O 3.29Å; Y374-P413 WeakPolarHBondContact CD2-O 3.28Å; Y374-P413 HydrophobicContact CE2-CB 3.69Å; Y374-P413 HydrophobicContact CG-CB 4.49Å; Y411-P413 WeakPolarHBondContact O-CD 3.21Å; P413-Q455 HydrophobicContact CG-CB 4.4Å; P413-I459 HydrophobicContact CB-CD1 4.45Å; P413-I459 HydrophobicContact CG-CD1 3.24Å; P413-I459 HydrophobicContact CG-CG1 3.19Å
414	L	79.4	Confident	89.4	Confident	34 Å²	34	18.9 Å²	18.9	18%	0.178	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.1	179.8	-55	176.4	0	0	0	112.9	E378 Y379 N412	E378-L414 WeakPolarHBondContact OE2-CD1 3.43Å; Y379-L414 HydrophobicContact CD2-CB 3.86Å; Y379-L414 WeakPolarHBondContact CD2-O 3.37Å; Y379-L414 HydrophobicContact CE2-CB 3.83Å; Y379-L414 HydrophobicContact CE2-CD1 4.36Å; N412-L414 PolarHBondContact O-N 3.4Å; N412-L414 WeakPolarHBondContact OD1-CB 3.29Å; N412-L414 PolarHBondContact OD1-N 2.89Å; N412-L414 VanDerWaalsContact OD1-N 3.13Å
415	C	84.3	Confident	89.6	Confident	6 Å²	6	23.4 Å²	23.4	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	-130.1	55.8	-174.3	-164.7	0	0	0	0	112.1	P245 N412	P245-C415 HydrophobicContact CG-CB 4.29Å; N412-C415 HydrophobicContact CB-CB 4.45Å; N412-C415 PolarHBondContact O-N 2.81Å
416	P	90.5	Very high	89.9	Confident	4 Å²	4	23.5 Å²	23.5	3%	0.026	11%	0.109	C	C	.	.			trans	-64	156	171.8	26.9	-31.4	0	0	0	111.6	L371 F373 A405 W407 I418	L371-P416 HydrophobicContact CD2-CG 4.43Å; F373-P416 HydrophobicContact CD2-CG 4.01Å; F373-P416 HydrophobicContact CE2-CG 4.3Å; A405-P416 HydrophobicContact CB-CB 3.71Å; A405-P416 HydrophobicContact CB-CG 4.1Å; W407-P416 HydrophobicContact CD2-CB 4.29Å; W407-P416 HydrophobicContact CH2-CB 3.94Å; W407-P416 HydrophobicContact CH2-CG 4.42Å; W407-P416 HydrophobicContact CZ2-CB 3.51Å; W407-P416 HydrophobicContact CZ2-CG 3.93Å; W407-P416 HydrophobicContact CZ3-CB 4.49Å; P416-I418 HydrophobicContact CG-CD1 4.23Å
417	R	93.8	Very high	90.1	Very high	58 Å²	58	25.2 Å²	25.2	22%	0.219	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.3	156.3	-66.2	175.4	69.9	179	-4.8	108.9	E342 V406	E342-R417 VanDerWaalsContact CD-NE 3.31Å; E342-R417 WeakPolarHBondContact OE1-CB 3.48Å; E342-R417 VanDerWaalsContact OE1-CG 3.31Å; E342-R417 WeakPolarHBondContact OE1-CG 3.29Å; E342-R417 IonicContact OE1-CZ 2.62Å; E342-R417 IonicContact OE1-NE 3.36Å; E342-R417 PolarHBondContact OE1-NE 3.24Å; E342-R417 IonicContact OE1-NH2 3.35Å; E342-R417 IonicContact OE2-CZ 3.77Å; E342-R417 IonicContact OE2-NE 3.75Å; E342-R417 PolarHBondContact OE2-NE 3.47Å; E342-R417 IonicContact OE2-NH2 3.87Å; E342-R417 PolarHBondContact OE2-NH2 2.95Å; V406-R417 HydrophobicContact CB-CB 4.27Å; V406-R417 PolarHBondContact N-O 3.42Å; V406-R417 PolarHBondContact O-N 2.99Å
418	I	94.6	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.8	-178.5	-59.6	-53.1	0	0	0	108.4	E342 Y343 F369 L371 F373 I381 V403 P416	E342-I418 CarbonylContact C-O 3.49Å; E342-I418 WeakPolarHBondContact CA-O 3.17Å; E342-I418 VanDerWaalsContact CG-O 3.24Å; E342-I418 WeakPolarHBondContact CG-O 3.49Å; Y343-I418 PolarHBondContact N-O 3.5Å; F369-I418 HydrophobicContact CD1-CG1 4.28Å; F369-I418 HydrophobicContact CD2-CG2 4.41Å; F369-I418 HydrophobicContact CE1-CD1 4.22Å; F369-I418 HydrophobicContact CE1-CG1 4.27Å; F369-I418 HydrophobicContact CE1-CG2 4.14Å; F369-I418 HydrophobicContact CE2-CG2 3.95Å; F369-I418 HydrophobicContact CZ-CG2 3.83Å; L371-I418 HydrophobicContact CD2-CD1 3.68Å; L371-I418 HydrophobicContact CD2-CG1 3.69Å; F373-I418 HydrophobicContact CD2-CD1 4.46Å; F373-I418 HydrophobicContact CE2-CD1 3.38Å; F373-I418 HydrophobicContact CZ-CD1 3.7Å; I381-I418 HydrophobicContact CD1-CB 4.48Å; I381-I418 HydrophobicContact CD1-CG1 3.8Å; V403-I418 HydrophobicContact CG1-CG2 3.77Å; V403-I418 HydrophobicContact CG2-CG2 4.44Å; P416-I418 HydrophobicContact CG-CD1 4.23Å
419	A	96.8	Very high	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.3	-177.7	0	0	0	0	0	111.3	V307 F339 V403 F404 V406 F421	V307-A419 HydrophobicContact CG1-CB 4.07Å; V307-A419 HydrophobicContact CG2-CB 3.87Å; F339-A419 HydrophobicContact CD2-CB 4.25Å; F339-A419 HydrophobicContact CE2-CB 3.9Å; V403-A419 CarbonylContact C-O 3.52Å; V403-A419 WeakPolarHBondContact CA-O 3.45Å; F404-A419 PolarHBondContact N-O 3.06Å; F404-A419 PolarHBondContact O-N 2.88Å; V406-A419 HydrophobicContact CG2-CB 3.56Å; A419-F421 HydrophobicContact CB-CD2 4.21Å; A419-F421 HydrophobicContact CB-CE2 3.64Å
420	F	97.8	Very high	91.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.9	171.2	-62.5	-81.8	0	0	0	110.4	V340 M341 Y343 L393 L401 Q402 V403 F434	V340-F420 PolarHBondContact N-O 3.16Å; M341-F420 HydrophobicContact CG-CB 4.35Å; M341-F420 HydrophobicContact CG-CD2 3.88Å; M341-F420 PolarHBondContact O-N 3.44Å; Y343-F420 AromaticContact CD2-CE2 3.93Å; Y343-F420 HydrophobicContact CD2-CE2 3.93Å; Y343-F420 AromaticContact CD2-CZ 3.97Å; Y343-F420 HydrophobicContact CD2-CZ 3.97Å; Y343-F420 HydrophobicContact CG-CE2 4.28Å; Y343-F420 HydrophobicContact CG-CZ 4.48Å; L393-F420 HydrophobicContact CD1-CD1 4.48Å; L393-F420 HydrophobicContact CD1-CD2 4.02Å; L393-F420 HydrophobicContact CD1-CE1 4.25Å; L393-F420 HydrophobicContact CD1-CE2 3.75Å; L393-F420 HydrophobicContact CD1-CG 4.37Å; L393-F420 HydrophobicContact CD1-CZ 3.89Å; L401-F420 HydrophobicContact CB-CB 4.36Å; L401-F420 HydrophobicContact CB-CD1 4.09Å; L401-F420 HydrophobicContact CD1-CB 4.04Å; L401-F420 HydrophobicContact CD1-CD1 4.15Å; L401-F420 HydrophobicContact CD1-CG 4.17Å; L401-F420 HydrophobicContact CD2-CB 4.5Å; Q402-F420 WeakPolarHBondContact O-CA 3.48Å; V403-F420 HydrophobicContact CG2-CD1 3.45Å; V403-F420 VanDerWaalsContact CG2-CD1 3.45Å; V403-F420 HydrophobicContact CG2-CE1 3.2Å; V403-F420 HydrophobicContact CG2-CG 4.45Å; V403-F420 HydrophobicContact CG2-CZ 4.06Å; F420-F434 HydrophobicContact CD1-CB 4.29Å; F420-F434 HydrophobicContact CE1-CB 3.83Å; F420-F434 AromaticContact CE1-CD1 3.83Å; F420-F434 HydrophobicContact CE1-CD1 3.83Å; F420-F434 HydrophobicContact CE1-CD2 4.04Å; F420-F434 HydrophobicContact CE1-CE1 4.34Å; F420-F434 HydrophobicContact CE1-CE2 4.48Å; F420-F434 AromaticContact CE1-CG 3.64Å; F420-F434 HydrophobicContact CE1-CG 3.64Å; F420-F434 HydrophobicContact CZ-CD1 4.07Å; F420-F434 HydrophobicContact CZ-CE1 4.15Å; F420-F434 HydrophobicContact CZ-CG 4.26Å; F420-F434 HydrophobicContact CZ-CZ 4.4Å
421	F	98.2	Very high	92.3	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.2	173.3	-69.5	-98.2	0	0	0	110.2	Y275 L281 I289 V307 G337 A338 F339 L401 Q402 F404 A419 K423	Y275-F421 AromaticContact CE1-CE1 3.89Å; Y275-F421 HydrophobicContact CE1-CE1 3.89Å; Y275-F421 AromaticContact CE1-CZ 3.86Å; Y275-F421 HydrophobicContact CE1-CZ 3.86Å; L281-F421 HydrophobicContact CD1-CB 3.49Å; L281-F421 VanDerWaalsContact CD1-CB 3.49Å; L281-F421 HydrophobicContact CD1-CD1 3.59Å; L281-F421 HydrophobicContact CD1-CD2 3.93Å; L281-F421 HydrophobicContact CD1-CE1 4.24Å; L281-F421 HydrophobicContact CD1-CG 3.4Å; L281-F421 VanDerWaalsContact CD1-CG 3.4Å; L281-F421 HydrophobicContact CD2-CD1 4.04Å; L281-F421 HydrophobicContact CD2-CE1 3.83Å; L281-F421 HydrophobicContact CD2-CE2 4.35Å; L281-F421 HydrophobicContact CD2-CG 4.39Å; L281-F421 HydrophobicContact CD2-CZ 4Å; L281-F421 HydrophobicContact CG-CB 4.34Å; L281-F421 HydrophobicContact CG-CD1 3.5Å; L281-F421 HydrophobicContact CG-CD2 4.47Å; L281-F421 HydrophobicContact CG-CE1 3.78Å; L281-F421 HydrophobicContact CG-CG 3.88Å; L281-F421 HydrophobicContact CG-CZ 4.38Å; I289-F421 HydrophobicContact CD1-CE2 3.84Å; I289-F421 HydrophobicContact CD1-CZ 3.97Å; V307-F421 HydrophobicContact CG2-CE2 4.14Å; V307-F421 HydrophobicContact CG2-CZ 3.69Å; G337-F421 WeakPolarHBondContact O-CD1 3.4Å; A338-F421 CarbonylContact O-C 3.59Å; A338-F421 VanDerWaalsContact O-CA 3.27Å; A338-F421 WeakPolarHBondContact O-CA 3.14Å; F339-F421 VanDerWaalsContact CA-CD1 3.47Å; F339-F421 HydrophobicContact CB-CD1 3.93Å; F339-F421 HydrophobicContact CB-CE1 3.6Å; F339-F421 HydrophobicContact CB-CZ 4.2Å; F339-F421 HydrophobicContact CD2-CE1 4.27Å; F339-F421 HydrophobicContact CD2-CE2 4.29Å; F339-F421 HydrophobicContact CD2-CZ 4.08Å; F339-F421 HydrophobicContact CG-CE1 4.4Å; L401-F421 CarbonylContact C-O 3.43Å; L401-F421 WeakPolarHBondContact CA-O 3.48Å; Q402-F421 PolarHBondContact N-O 2.93Å; Q402-F421 PolarHBondContact O-N 3.4Å; F404-F421 HydrophobicContact CB-CD2 4.16Å; F404-F421 HydrophobicContact CB-CE2 4.11Å; F404-F421 HydrophobicContact CD2-CB 4.37Å; F404-F421 AromaticContact CD2-CD2 3.66Å; F404-F421 HydrophobicContact CD2-CD2 3.66Å; F404-F421 HydrophobicContact CD2-CE2 4.35Å; F404-F421 HydrophobicContact CD2-CG 4.32Å; F404-F421 HydrophobicContact CE2-CB 4.44Å; F404-F421 HydrophobicContact CE2-CD2 4.42Å; F404-F421 HydrophobicContact CG-CD2 4.14Å; F404-F421 HydrophobicContact CG-CE2 4.39Å; A419-F421 HydrophobicContact CB-CD2 4.21Å; A419-F421 HydrophobicContact CB-CE2 3.64Å; F421-K423 PolarHBondContact O-N 3.35Å
422	A	98.2	Very high	93.4	Very high	4 Å²	4	34 Å²	34	3%	0.033	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.5	177.1	0	0	0	0	0	111	I334 K335 G337 A338 V340 R424 I426	I334-A422 HydrophobicContact CG2-CB 3.89Å; K335-A422 WeakPolarHBondContact O-CB 3.41Å; G337-A422 WeakPolarHBondContact CA-O 3.39Å; G337-A422 PolarHBondContact N-O 3.13Å; A338-A422 PolarHBondContact O-N 2.88Å; V340-A422 HydrophobicContact CG2-CB 4.28Å; A422-R424 VanDerWaalsContact C-N 3.34Å; A422-I426 HydrophobicContact CB-CD1 3.85Å; A422-I426 HydrophobicContact CB-CG1 4.28Å
423	K	96.3	Very high	94.4	Very high	93 Å²	93	34.1 Å²	34.1	40%	0.404	17%	0.171	S	C	.	.	S	Bend	trans	-73.2	-28.6	178.3	-177.7	-172.6	169.7	-164	0	112.2	Q336 D398 P399 N400 Q402 F421	Q336-K423 PolarHBondContact NE2-O 2.91Å; D398-K423 IonicContact OD1-NZ 3.39Å; D398-K423 PolarHBondContact OD1-NZ 3.38Å; P399-K423 WeakPolarHBondContact O-CD 3.3Å; N400-K423 WeakPolarHBondContact O-CB 3.43Å; N400-K423 PolarHBondContact O-N 3.07Å; Q402-K423 HydrophobicContact CB-CB 4.31Å; F421-K423 PolarHBondContact O-N 3.35Å
424	R	97.3	Very high	95.3	Very high	95 Å²	95	34.6 Å²	34.6	36%	0.358	17%	0.173	S	C	.	.	S	Bend	trans	-145.7	177.1	177.6	57.9	163.4	172.4	80.7	-2.4	109.3	A422 I426 E430	A422-R424 VanDerWaalsContact C-N 3.34Å; R424-I426 WeakPolarHBondContact O-CG1 3.25Å; R424-E430 IonicContact CZ-OE1 3.22Å; R424-E430 VanDerWaalsContact CZ-OE1 3.25Å; R424-E430 IonicContact NH1-OE1 2.58Å; R424-E430 PolarHBondContact NH1-OE1 3.34Å; R424-E430 IonicContact NH1-OE2 2.77Å; R424-E430 PolarHBondContact NH1-OE2 3.39Å; R424-E430 VanDerWaalsContact NH1-OE2 3.11Å; R424-E430 IonicContact NH2-OE1 3.55Å; R424-E430 PolarHBondContact NH2-OE1 2.78Å; R424-E430 IonicContact NH2-OE2 3.53Å
425	D	98.5	Very high	95.6	Very high	102 Å²	102	34.2 Å²	34.2	55%	0.545	17%	0.171	S	C	.	.			trans	-61.6	136.4	165.9	-65	-28.6	0	0	0	110	I334 K335 Q336	I334-D425 CarbonylContact O-C 3.59Å; I334-D425 WeakPolarHBondContact O-CA 3.4Å; K335-D425 WeakPolarHBondContact CA-OD1 3.36Å; Q336-D425 PolarHBondContact N-OD1 2.58Å
426	I	98.7	Very high	95.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-118.6	129.4	-176.9	-52.6	-178.5	0	0	0	108	T330 P333 I334 N400 L401 A422 R424 E430 L432	T330-I426 HydrophobicContact CG2-CG2 3.98Å; P333-I426 VanDerWaalsContact CA-O 3.29Å; P333-I426 WeakPolarHBondContact CA-O 3.4Å; I334-I426 HydrophobicContact CB-CB 4.08Å; I334-I426 HydrophobicContact CB-CD1 4.5Å; I334-I426 HydrophobicContact CB-CG1 4.47Å; I334-I426 HydrophobicContact CD1-CD1 4.29Å; I334-I426 PolarHBondContact N-O 3.41Å; I334-I426 PolarHBondContact O-N 3.37Å; N400-I426 HydrophobicContact CB-CD1 3.91Å; N400-I426 HydrophobicContact CB-CG1 4.1Å; L401-I426 HydrophobicContact CD2-CD1 4.21Å; A422-I426 HydrophobicContact CB-CD1 3.85Å; A422-I426 HydrophobicContact CB-CG1 4.28Å; R424-I426 WeakPolarHBondContact O-CG1 3.25Å; I426-E430 HydrophobicContact CG2-CB 3.79Å; I426-E430 HydrophobicContact CG2-CG 4.18Å; I426-L432 HydrophobicContact CD1-CD2 3.85Å; I426-L432 HydrophobicContact CG2-CD2 4.05Å
427	G	98	Very high	94.6	Very high	36 Å²	36	44.5 Å²	44.5	37%	0.371	22%	0.217	S	C	.	.			trans	-73.4	154.8	178.7	0	0	0	0	0	112.5	T330 E430	T330-G427 WeakPolarHBondContact CG2-O 3.24Å; G427-E430 PolarHBondContact N-OE2 3.44Å; G427-E430 WeakPolarHBondContact O-CB 3.35Å; G427-E430 PolarHBondContact O-N 3.23Å
428	A	97.5	Very high	93.3	Very high	43 Å²	43	43.7 Å²	43.7	36%	0.355	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	142.2	167.9	0	0	0	0	0	110.3	E430	A428-E430 PolarHBondContact O-N 3.01Å
429	Y	96.6	Very high	91.1	Very high	129 Å²	129	46.3 Å²	46.3	51%	0.506	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	5	-176.4	-48.6	-76.4	0	0	0	115.9	T330 L331	T330-Y429 WeakPolarHBondContact O-CA 3.43Å; T330-Y429 PolarHBondContact O-N 3.35Å; L331-Y429 HydrophobicContact CD2-CD1 3.99Å; L331-Y429 HydrophobicContact CD2-CE1 3.68Å
430	E	98.1	Very high	88.7	Confident	54 Å²	54	49.7 Å²	49.7	25%	0.252	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-72.4	137.5	172.8	-162.9	-175	141.5	0	0	110.7	K329 T330 N400 R424 I426 G427 A428	K329-E430 VanDerWaalsContact CA-O 3.28Å; K329-E430 WeakPolarHBondContact CA-O 3.06Å; K329-E430 VanDerWaalsContact CB-O 3.29Å; K329-E430 WeakPolarHBondContact CB-O 3.26Å; T330-E430 PolarHBondContact N-O 3.2Å; T330-E430 VanDerWaalsContact N-O 3.12Å; N400-E430 PolarHBondContact ND2-OE1 2.69Å; R424-E430 IonicContact CZ-OE1 3.22Å; R424-E430 VanDerWaalsContact CZ-OE1 3.25Å; R424-E430 IonicContact NH1-OE1 2.58Å; R424-E430 PolarHBondContact NH1-OE1 3.34Å; R424-E430 IonicContact NH1-OE2 2.77Å; R424-E430 PolarHBondContact NH1-OE2 3.39Å; R424-E430 VanDerWaalsContact NH1-OE2 3.11Å; R424-E430 IonicContact NH2-OE1 3.55Å; R424-E430 PolarHBondContact NH2-OE1 2.78Å; R424-E430 IonicContact NH2-OE2 3.53Å; I426-E430 HydrophobicContact CG2-CB 3.79Å; I426-E430 HydrophobicContact CG2-CG 4.18Å; G427-E430 PolarHBondContact N-OE2 3.44Å; G427-E430 WeakPolarHBondContact O-CB 3.35Å; G427-E430 PolarHBondContact O-N 3.23Å; A428-E430 PolarHBondContact O-N 3.01Å
431	E	98.2	Very high	85.8	Confident	38 Å²	38	58.8 Å²	58.8	18%	0.178	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132.3	173.5	-174.8	178.5	178.2	0	0	110.4	F318 R324 V328 N394 N400 T433	F318-E431 HydrophobicContact CE1-CB 4.39Å; F318-E431 HydrophobicContact CE1-CG 3.97Å; F318-E431 HydrophobicContact CZ-CB 4.25Å; F318-E431 HydrophobicContact CZ-CG 3.95Å; R324-E431 IonicContact CZ-OE1 2.64Å; R324-E431 IonicContact CZ-OE2 2.74Å; R324-E431 VanDerWaalsContact NH1-CD 3.34Å; R324-E431 IonicContact NH1-OE1 2.84Å; R324-E431 PolarHBondContact NH1-OE1 2.79Å; R324-E431 IonicContact NH1-OE2 3.71Å; R324-E431 PolarHBondContact NH1-OE2 3.45Å; R324-E431 IonicContact NH2-OE1 3.27Å; R324-E431 IonicContact NH2-OE2 3.93Å; R324-E431 PolarHBondContact NH2-OE2 3.2Å; V328-E431 CarbonylContact O-C 3.58Å; V328-E431 WeakPolarHBondContact O-CA 3.02Å; V328-E431 WeakPolarHBondContact O-CG 3.25Å; N394-E431 WeakPolarHBondContact CB-OE1 3.31Å; N394-E431 PolarHBondContact ND2-OE1 3.17Å; N400-E431 PolarHBondContact ND2-O 3.26Å; E431-T433 HydrophobicContact CG-CG2 3.92Å
432	L	98.6	Very high	83.1	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.8	175.1	-60.7	178.9	0	0	0	109.3	I315 V328 I334 V340 M341 L393 N400 L401 I426	I315-L432 HydrophobicContact CG2-CD1 4.17Å; V328-L432 HydrophobicContact CG1-CD1 4.16Å; V328-L432 PolarHBondContact O-N 3.41Å; I334-L432 HydrophobicContact CD1-CD2 4.06Å; V340-L432 HydrophobicContact CG1-CD1 3.82Å; M341-L432 HydrophobicContact CE-CD1 3.69Å; L393-L432 HydrophobicContact CD2-CB 3.57Å; L393-L432 VanDerWaalsContact CD2-O 3.28Å; L393-L432 WeakPolarHBondContact CD2-O 3.43Å; N400-L432 WeakPolarHBondContact OD1-CA 3.16Å; L401-L432 HydrophobicContact CD1-CB 4.03Å; L401-L432 HydrophobicContact CD2-CD2 4.3Å; L401-L432 HydrophobicContact CG-CB 4.45Å; I426-L432 HydrophobicContact CD1-CD2 3.85Å; I426-L432 HydrophobicContact CG2-CD2 4.05Å
433	T	96.4	Very high	80.3	Confident	13 Å²	13	67.3 Å²	67.3	8%	0.08	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.1	-175	56.4	0	0	0	0	111.6	N394 S396 P399 N400 L401 E431	N394-T433 HydrophobicContact CB-CG2 4.37Å; N394-T433 VanDerWaalsContact O-CA 3.27Å; N394-T433 WeakPolarHBondContact O-CA 3.21Å; N394-T433 WeakPolarHBondContact O-CB 3.4Å; S396-T433 VanDerWaalsContact CB-OG1 3.26Å; S396-T433 WeakPolarHBondContact CB-OG1 3.36Å; P399-T433 VanDerWaalsContact CB-O 3.29Å; P399-T433 WeakPolarHBondContact CB-O 3.29Å; N400-T433 PolarHBondContact N-O 2.86Å; N400-T433 PolarHBondContact OD1-N 3.24Å; N400-T433 PolarHBondContact OD1-O 2.8Å; L401-T433 VanDerWaalsContact CB-O 3.3Å; L401-T433 WeakPolarHBondContact CB-O 3.39Å; L401-T433 PolarHBondContact N-O 3.45Å; E431-T433 HydrophobicContact CG-CG2 3.92Å
434	F	93.3	Very high	77.9	Confident	13 Å²	13	64.8 Å²	64.8	6%	0.057	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.5	176.4	77.6	-88.7	0	0	0	112.4	F369 L393 N394 H395 S396 P399 L401 F420 Y436 M438	F369-F434 HydrophobicContact CE2-CE2 4.29Å; L393-F434 HydrophobicContact CB-CD1 3.62Å; L393-F434 HydrophobicContact CB-CE1 3.67Å; L393-F434 HydrophobicContact CD1-CD1 4.01Å; L393-F434 HydrophobicContact CD1-CE1 4.32Å; L393-F434 HydrophobicContact CG-CD1 4.46Å; N394-F434 PolarHBondContact O-N 3.24Å; N394-F434 VanDerWaalsContact O-N 3.12Å; H395-F434 VanDerWaalsContact CA-O 3.27Å; H395-F434 WeakPolarHBondContact CA-O 3.43Å; H395-F434 PolarHBondContact ND1-O 2.88Å; H395-F434 VanDerWaalsContact ND1-O 3.13Å; S396-F434 PolarHBondContact N-O 3Å; S396-F434 VanDerWaalsContact N-O 3.1Å; P399-F434 VanDerWaalsContact CB-CA 3.43Å; L401-F434 HydrophobicContact CB-CB 4.29Å; F420-F434 HydrophobicContact CD1-CB 4.29Å; F420-F434 HydrophobicContact CE1-CB 3.83Å; F420-F434 AromaticContact CE1-CD1 3.83Å; F420-F434 HydrophobicContact CE1-CD1 3.83Å; F420-F434 HydrophobicContact CE1-CD2 4.04Å; F420-F434 HydrophobicContact CE1-CE1 4.34Å; F420-F434 HydrophobicContact CE1-CE2 4.48Å; F420-F434 AromaticContact CE1-CG 3.64Å; F420-F434 HydrophobicContact CE1-CG 3.64Å; F420-F434 HydrophobicContact CZ-CD1 4.07Å; F420-F434 HydrophobicContact CZ-CE1 4.15Å; F420-F434 HydrophobicContact CZ-CG 4.26Å; F420-F434 HydrophobicContact CZ-CZ 4.4Å; F434-Y436 HydrophobicContact CD1-CD1 4.25Å; F434-Y436 AromaticContact CD1-CE1 3.98Å; F434-Y436 HydrophobicContact CD1-CE1 3.98Å; F434-Y436 AromaticContact CD2-CD1 3.84Å; F434-Y436 HydrophobicContact CD2-CD1 3.84Å; F434-Y436 HydrophobicContact CD2-CE1 4.38Å; F434-Y436 AromaticContact CE1-CD1 3.79Å; F434-Y436 HydrophobicContact CE1-CD1 3.79Å; F434-Y436 AromaticContact CE1-CE1 3.38Å; F434-Y436 HydrophobicContact CE1-CE1 3.38Å; F434-Y436 AromaticContact CE2-CD1 3.39Å; F434-Y436 HydrophobicContact CE2-CD1 3.39Å; F434-Y436 AromaticContact CE2-CE1 3.92Å; F434-Y436 HydrophobicContact CE2-CE1 3.92Å; F434-Y436 HydrophobicContact CE2-CG 4.38Å; F434-Y436 HydrophobicContact CG-CD1 4.29Å; F434-Y436 HydrophobicContact CG-CE1 4.46Å; F434-Y436 AromaticContact CZ-CD1 3.35Å; F434-Y436 HydrophobicContact CZ-CD1 3.35Å; F434-Y436 AromaticContact CZ-CE1 3.37Å; F434-Y436 HydrophobicContact CZ-CE1 3.37Å; F434-Y436 HydrophobicContact CZ-CG 4.46Å; F434-Y436 PolarHBondContact O-N 3.41Å; F434-M438 HydrophobicContact CB-CE 4.48Å; F434-M438 HydrophobicContact CD2-CE 3.25Å; F434-M438 HydrophobicContact CE2-CE 3.75Å; F434-M438 HydrophobicContact CG-CE 4.26Å
435	D	87	Confident	75.4	Confident	26 Å²	26	66.6 Å²	66.6	14%	0.139	36%	0.359	C	S	.	.			trans	-83.7	108.6	175.5	-178.3	1	0	0	0	110.4	H395 P399 L437 M438	H395-D435 IonicContact CE1-OD1 3.94Å; H395-D435 PolarHBondContact CE1-OD1 3Å; H395-D435 WeakPolarHBondContact ND1-CA 3.31Å; H395-D435 IonicContact ND1-OD1 3.87Å; P399-D435 HydrophobicContact CG-CB 4.13Å; D435-L437 PolarHBondContact O-N 3.1Å; D435-L437 PolarHBondContact OD1-N 2.99Å; D435-M438 WeakPolarHBondContact O-CE 3.29Å; D435-M438 WeakPolarHBondContact O-CG 3.24Å; D435-M438 PolarHBondContact O-N 2.91Å; D435-M438 VanDerWaalsContact O-N 3.14Å
436	Y	83.1	Confident	73.1	Confident	117 Å²	117	64 Å²	64	46%	0.459	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.3	-178.9	-73.3	5.6	0	0	0	112.9	L393 N394 H395 F434	L393-Y436 WeakPolarHBondContact O-CE1 3.49Å; L393-Y436 PolarHBondContact O-OH 3.43Å; N394-Y436 WeakPolarHBondContact CA-OH 3.49Å; H395-Y436 HydrophobicContact CB-CD1 3.81Å; H395-Y436 HydrophobicContact CB-CD2 3.81Å; H395-Y436 HydrophobicContact CB-CE1 3.9Å; H395-Y436 HydrophobicContact CB-CE2 3.88Å; H395-Y436 HydrophobicContact CB-CG 3.78Å; H395-Y436 PolarHBondContact ND1-N 3.13Å; H395-Y436 VanDerWaalsContact ND1-N 3.14Å; F434-Y436 HydrophobicContact CD1-CD1 4.25Å; F434-Y436 AromaticContact CD1-CE1 3.98Å; F434-Y436 HydrophobicContact CD1-CE1 3.98Å; F434-Y436 AromaticContact CD2-CD1 3.84Å; F434-Y436 HydrophobicContact CD2-CD1 3.84Å; F434-Y436 HydrophobicContact CD2-CE1 4.38Å; F434-Y436 AromaticContact CE1-CD1 3.79Å; F434-Y436 HydrophobicContact CE1-CD1 3.79Å; F434-Y436 AromaticContact CE1-CE1 3.38Å; F434-Y436 HydrophobicContact CE1-CE1 3.38Å; F434-Y436 AromaticContact CE2-CD1 3.39Å; F434-Y436 HydrophobicContact CE2-CD1 3.39Å; F434-Y436 AromaticContact CE2-CE1 3.92Å; F434-Y436 HydrophobicContact CE2-CE1 3.92Å; F434-Y436 HydrophobicContact CE2-CG 4.38Å; F434-Y436 HydrophobicContact CG-CD1 4.29Å; F434-Y436 HydrophobicContact CG-CE1 4.46Å; F434-Y436 AromaticContact CZ-CD1 3.35Å; F434-Y436 HydrophobicContact CZ-CD1 3.35Å; F434-Y436 AromaticContact CZ-CE1 3.37Å; F434-Y436 HydrophobicContact CZ-CE1 3.37Å; F434-Y436 HydrophobicContact CZ-CG 4.46Å; F434-Y436 PolarHBondContact O-N 3.41Å
437	L	70.3	Confident	71	Confident	108 Å²	108	69.9 Å²	69.9	57%	0.565	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.4	-177.2	-61	178.4	0	0	0	112.6	D435 N439	D435-L437 PolarHBondContact O-N 3.1Å; D435-L437 PolarHBondContact OD1-N 2.99Å; L437-N439 HydrophobicContact CB-CB 4.1Å; L437-N439 VanDerWaalsContact O-CA 3.29Å; L437-N439 WeakPolarHBondContact O-CA 3.15Å; L437-N439 PolarHBondContact O-N 3.23Å
438	M	65.6	Low	69.4	Low	41 Å²	41	76.2 Å²	76.2	20%	0.202	39%	0.385	C	S	.	.			trans	40.7	31.2	-174.7	-63.5	-61.9	172.6	0	0	113.5	F369 V403 F434 D435 P440	F369-M438 HydrophobicContact CE2-CE 4.19Å; F369-M438 HydrophobicContact CZ-CE 4.19Å; V403-M438 HydrophobicContact CB-CE 3.87Å; V403-M438 HydrophobicContact CB-SD 4.19Å; V403-M438 HydrophobicContact CG2-CE 3.26Å; V403-M438 HydrophobicContact CG2-SD 4.21Å; F434-M438 HydrophobicContact CB-CE 4.48Å; F434-M438 HydrophobicContact CD2-CE 3.25Å; F434-M438 HydrophobicContact CE2-CE 3.75Å; F434-M438 HydrophobicContact CG-CE 4.26Å; D435-M438 WeakPolarHBondContact O-CE 3.29Å; D435-M438 WeakPolarHBondContact O-CG 3.24Å; D435-M438 PolarHBondContact O-N 2.91Å; D435-M438 VanDerWaalsContact O-N 3.14Å; M438-P440 WeakPolarHBondContact O-CD 3.49Å
439	N	48.6	Very low	67.8	Low	56 Å²	56	75.3 Å²	75.3	30%	0.299	37%	0.374	S	S	.	.			trans	-76.9	116.2	-153.9	-169.7	-17.6	0	0	0	109.8	L437 K441 R442	L437-N439 HydrophobicContact CB-CB 4.1Å; L437-N439 VanDerWaalsContact O-CA 3.29Å; L437-N439 WeakPolarHBondContact O-CA 3.15Å; L437-N439 PolarHBondContact O-N 3.23Å; N439-K441 PolarHBondContact O-N 3.14Å; N439-K441 WeakPolarHBondContact OD1-CB 3.44Å; N439-K441 PolarHBondContact OD1-N 3.4Å; N439-R442 PolarHBondContact O-N 3.45Å
440	P	45.7	Very low	66.3	Low	70 Å²	70	80 Å²	80	46%	0.455	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.5	178.5	18.5	-28.8	0	0	0	112.4	M438 R442 G443 G444	M438-P440 WeakPolarHBondContact O-CD 3.49Å; P440-R442 VanDerWaalsContact C-N 3.31Å; P440-R442 PolarHBondContact O-N 3.45Å; P440-G443 PolarHBondContact O-N 3.18Å; P440-G444 CarbonylContact C-O 3.51Å; P440-G444 VanDerWaalsContact CA-O 3.3Å; P440-G444 WeakPolarHBondContact CA-O 3.22Å; P440-G444 VanDerWaalsContact O-O 3.04Å
441	K	36.6	Very low	64.9	Low	191 Å²	191	81 Å²	81	83%	0.83	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-71.9	-17.1	-180	-62.4	-172.9	179	-179.9	0	114.5	N439 G443	N439-K441 PolarHBondContact O-N 3.14Å; N439-K441 WeakPolarHBondContact OD1-CB 3.44Å; N439-K441 PolarHBondContact OD1-N 3.4Å; K441-G443 PolarHBondContact O-N 2.96Å
442	R	43	Very low	63.3	Low	123 Å²	123	79.9 Å²	79.9	46%	0.464	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-83.6	13.3	177.2	-76.5	-172.1	175.7	179.1	-2	113.6	N439 P440	N439-R442 PolarHBondContact O-N 3.45Å; P440-R442 VanDerWaalsContact C-N 3.31Å; P440-R442 PolarHBondContact O-N 3.45Å
443	G	39	Very low	61.7	Low	62 Å²	62	83.8 Å²	83.8	64%	0.639	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-0.3	175	0	0	0	0	0	114	P440 K441 N445	P440-G443 PolarHBondContact O-N 3.18Å; K441-G443 PolarHBondContact O-N 2.96Å; G443-N445 PolarHBondContact O-N 3.5Å
444	G	46.4	Very low	60.1	Low	39 Å²	39	85.4 Å²	85.4	40%	0.402	42%	0.422	S	S	.	.			trans	-70.9	113.8	158.7	0	0	0	0	0	107.9	P440 Y446	P440-G444 CarbonylContact C-O 3.51Å; P440-G444 VanDerWaalsContact CA-O 3.3Å; P440-G444 WeakPolarHBondContact CA-O 3.22Å; P440-G444 VanDerWaalsContact O-O 3.04Å; G444-Y446 PolarHBondContact O-N 3.25Å
445	N	43.6	Very low	58.9	Low	133 Å²	133	84.8 Å²	84.8	71%	0.711	42%	0.42	S	S	*	.			trans	-67.5	61.6	173.2	-75.6	-40.4	0	0	0	111.1	G443 L447	G443-N445 PolarHBondContact O-N 3.5Å; N445-L447 PolarHBondContact O-N 3.21Å
446	Y	51.7	Low	57.9	Low	47 Å²	47	91.1 Å²	91.1	18%	0.184	44%	0.442	C	S	.	.			trans	-74.7	77.1	163.8	-99.3	-94.9	0	0	0	108.2	F373 Q402 V403 G444 R448	F373-Y446 HydrophobicContact CD1-CE1 4.32Å; F373-Y446 AromaticContact CE1-CE1 3.89Å; F373-Y446 HydrophobicContact CE1-CE1 3.89Å; Q402-Y446 PolarHBondContact NE2-OH 3.33Å; V403-Y446 PolarHBondContact O-OH 3.13Å; G444-Y446 PolarHBondContact O-N 3.25Å; Y446-R448 PolarHBondContact O-N 2.82Å
447	L	53	Low	57	Low	129 Å²	129	88 Å²	88	68%	0.675	43%	0.434	S	S	*	.			trans	-62.2	122	162.5	-69.7	166.7	0	0	0	106.5	N445 L449	N445-L447 PolarHBondContact O-N 3.21Å; L447-L449 PolarHBondContact O-N 3.3Å; L447-L449 VanDerWaalsContact O-N 3.13Å
448	R	64.5	Low	56.7	Low	169 Å²	169	83.3 Å²	83.3	64%	0.638	41%	0.41	S	S	*	.			trans	-45.8	126.3	165.5	-85.8	-176.7	176.9	-177.1	-5	107.8	Y446	Y446-R448 PolarHBondContact O-N 2.82Å
449	L	63.7	Low	56.7	Low	23 Å²	23	83.2 Å²	83.2	12%	0.12	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-62.9	144.1	-178.2	-66.7	-179.2	0	0	0	109.3	G286 P288 F373 Y374 W407 L447	G286-L449 WeakPolarHBondContact O-CD2 3.13Å; P288-L449 HydrophobicContact CB-CD1 3.92Å; P288-L449 HydrophobicContact CG-CD1 4.48Å; P288-L449 HydrophobicContact CG-CD2 4.34Å; F373-L449 HydrophobicContact CB-CD1 4.03Å; F373-L449 HydrophobicContact CB-CG 4.49Å; F373-L449 HydrophobicContact CD1-CD1 4.34Å; F373-L449 WeakPolarHBondContact O-CB 3.22Å; F373-L449 PolarHBondContact O-N 2.9Å; Y374-L449 HydrophobicContact CD1-CB 3.68Å; Y374-L449 WeakPolarHBondContact CD1-O 3.32Å; Y374-L449 HydrophobicContact CE1-CB 3.26Å; Y374-L449 HydrophobicContact CE1-CD1 4.35Å; Y374-L449 HydrophobicContact CE1-CG 4.45Å; Y374-L449 HydrophobicContact CE2-CB 4.23Å; Y374-L449 HydrophobicContact CE2-CD1 4.03Å; Y374-L449 HydrophobicContact CG-CB 4.33Å; W407-L449 HydrophobicContact CH2-CD1 4.09Å; W407-L449 HydrophobicContact CZ3-CD1 4.4Å; L447-L449 PolarHBondContact O-N 3.3Å; L447-L449 VanDerWaalsContact O-N 3.13Å
450	R	66.4	Low	57.3	Low	228 Å²	228	82.9 Å²	82.9	86%	0.86	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-92.4	128.4	171.7	-69.9	-172.8	177.7	-173.2	0.4	108.9	T452	R450-T452 PolarHBondContact O-N 3.03Å
451	K	67.8	Low	58	Low	74 Å²	74	83.9 Å²	83.9	32%	0.322	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-63.6	123.2	176.4	-66	173.3	177.3	175.7	0	110.1	Y374 Q455 R456 I459	Y374-K451 HydrophobicContact CD1-CB 4.4Å; Y374-K451 HydrophobicContact CD1-CG 3.42Å; Y374-K451 VanDerWaalsContact CD1-CG 3.42Å; Y374-K451 HydrophobicContact CE1-CB 4.47Å; Y374-K451 HydrophobicContact CE1-CG 3.87Å; Y374-K451 HydrophobicContact CG-CG 4.08Å; K451-Q455 VanDerWaalsContact CA-OE1 3.26Å; K451-R456 HydrophobicContact CB-CG 4.15Å; K451-R456 PolarHBondContact O-NE 3.37Å; K451-R456 PolarHBondContact O-NH2 3.49Å; K451-I459 HydrophobicContact CD-CD1 3.58Å; K451-I459 HydrophobicContact CG-CD1 4.38Å
452	T	65.6	Low	59.3	Low	16 Å²	16	76.8 Å²	76.8	10%	0.098	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.8	164.4	177.2	75.8	0	0	0	0	110.7	M269 V271 R450 L454 Q455 R456	M269-T452 WeakPolarHBondContact O-CG2 3.1Å; V271-T452 HydrophobicContact CG1-CG2 4.41Å; R450-T452 PolarHBondContact O-N 3.03Å; T452-L454 VanDerWaalsContact C-N 3.31Å; T452-L454 PolarHBondContact O-N 2.97Å; T452-Q455 PolarHBondContact O-N 3.44Å; T452-Q455 WeakPolarHBondContact OG1-CG 2.89Å; T452-Q455 PolarHBondContact OG1-N 2.05Å; T452-R456 WeakPolarHBondContact O-CG 3.45Å; T452-R456 PolarHBondContact O-N 3.44Å
453	T	64.3	Low	60.2	Low	82 Å²	82	73.5 Å²	73.5	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-57.1	-47	178	-51.8	0	0	0	0	110.9	Q455 R456 V457	T453-Q455 PolarHBondContact O-N 2.98Å; T453-R456 WeakPolarHBondContact O-CB 3.31Å; T453-R456 PolarHBondContact O-N 3.43Å; T453-V457 PolarHBondContact O-N 2.87Å; T453-V457 VanDerWaalsContact O-N 3.15Å
454	L	63.7	Low	61.4	Low	47 Å²	47	71.7 Å²	71.7	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-65.3	-38.3	179.7	-165.5	61.7	0	0	0	112.1	F250 M269 T452 R456 V457 V458	F250-L454 HydrophobicContact CE2-CD2 3.53Å; F250-L454 HydrophobicContact CE2-CG 4.45Å; F250-L454 HydrophobicContact CZ-CD1 4.34Å; F250-L454 HydrophobicContact CZ-CD2 3.68Å; F250-L454 HydrophobicContact CZ-CG 4.12Å; M269-L454 HydrophobicContact CE-CB 4.06Å; M269-L454 HydrophobicContact CE-CD2 4.3Å; M269-L454 HydrophobicContact CE-CG 4.41Å; M269-L454 HydrophobicContact SD-CB 3.98Å; M269-L454 HydrophobicContact SD-CD2 3.24Å; M269-L454 WeakPolarHBondContact SD-CD2 3.33Å; M269-L454 HydrophobicContact SD-CG 3.95Å; T452-L454 VanDerWaalsContact C-N 3.31Å; T452-L454 PolarHBondContact O-N 2.97Å; L454-R456 VanDerWaalsContact C-N 3.34Å; L454-R456 PolarHBondContact O-N 2.91Å; L454-V457 WeakPolarHBondContact O-CB 3.31Å; L454-V457 PolarHBondContact O-N 3.47Å; L454-V458 WeakPolarHBondContact O-CG2 3.25Å; L454-V458 PolarHBondContact O-N 3.45Å
455	Q	67.1	Low	62.1	Low	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-39.3	173.7	-75.2	179.8	-47.2	0	0	112.7	M269 Y290 Y374 P413 K451 T452 T453 V457 V458 I459	M269-Q455 HydrophobicContact CE-CG 3.52Å; Y290-Q455 PolarHBondContact OH-NE2 3.26Å; Y374-Q455 VanDerWaalsContact CZ-NE2 3.32Å; Y374-Q455 PolarHBondContact OH-NE2 2.89Å; Y374-Q455 PolarHBondContact OH-OE1 3.41Å; P413-Q455 HydrophobicContact CG-CB 4.4Å; K451-Q455 VanDerWaalsContact CA-OE1 3.26Å; T452-Q455 PolarHBondContact O-N 3.44Å; T452-Q455 WeakPolarHBondContact OG1-CG 2.89Å; T452-Q455 PolarHBondContact OG1-N 2.05Å; T453-Q455 PolarHBondContact O-N 2.98Å; Q455-V457 VanDerWaalsContact C-N 3.28Å; Q455-V457 PolarHBondContact O-N 3.4Å; Q455-V458 PolarHBondContact O-N 3.14Å; Q455-I459 VanDerWaalsContact O-CG1 3.25Å; Q455-I459 WeakPolarHBondContact O-CG1 3.48Å; Q455-I459 PolarHBondContact O-N 3.4Å
456	R	67.3	Low	63.1	Low	159 Å²	159	74 Å²	74	60%	0.6	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-40	176.3	-67.5	172.1	-165.9	-173.2	2.4	111	K451 T452 T453 L454 C460	K451-R456 HydrophobicContact CB-CG 4.15Å; K451-R456 PolarHBondContact O-NE 3.37Å; K451-R456 PolarHBondContact O-NH2 3.49Å; T452-R456 WeakPolarHBondContact O-CG 3.45Å; T452-R456 PolarHBondContact O-N 3.44Å; T453-R456 WeakPolarHBondContact O-CB 3.31Å; T453-R456 PolarHBondContact O-N 3.43Å; L454-R456 VanDerWaalsContact C-N 3.34Å; L454-R456 PolarHBondContact O-N 2.91Å; R456-C460 VanDerWaalsContact O-CB 3.25Å; R456-C460 WeakPolarHBondContact O-CB 3.34Å; R456-C460 PolarHBondContact O-N 2.95Å
457	V	63.4	Low	63.6	Low	50 Å²	50	76.3 Å²	76.3	30%	0.303	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-45.8	173.9	176.5	0	0	0	0	110.8	T453 L454 Q455 C460 R461	T453-V457 PolarHBondContact O-N 2.87Å; T453-V457 VanDerWaalsContact O-N 3.15Å; L454-V457 WeakPolarHBondContact O-CB 3.31Å; L454-V457 PolarHBondContact O-N 3.47Å; Q455-V457 VanDerWaalsContact C-N 3.28Å; Q455-V457 PolarHBondContact O-N 3.4Å; V457-C460 WeakPolarHBondContact O-CB 3.48Å; V457-C460 PolarHBondContact O-N 2.78Å; V457-R461 WeakPolarHBondContact O-CG 3.18Å; V457-R461 PolarHBondContact O-N 3.31Å
458	V	63.7	Low	64.1	Low	10 Å²	10	70.3 Å²	70.3	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-48.9	177.2	173.5	0	0	0	0	110.8	F250 L454 Q455 C460 R461 Y462	F250-V458 HydrophobicContact CZ-CG2 4.36Å; L454-V458 WeakPolarHBondContact O-CG2 3.25Å; L454-V458 PolarHBondContact O-N 3.45Å; Q455-V458 PolarHBondContact O-N 3.14Å; V458-C460 VanDerWaalsContact C-N 3.31Å; V458-C460 PolarHBondContact O-N 3.47Å; V458-R461 PolarHBondContact O-N 2.91Å; V458-Y462 HydrophobicContact CG1-CD2 3.65Å; V458-Y462 HydrophobicContact CG1-CE2 3.72Å; V458-Y462 WeakPolarHBondContact O-CB 3.31Å; V458-Y462 WeakPolarHBondContact O-CD2 3.39Å; V458-Y462 PolarHBondContact O-N 2.9Å
459	I	64.8	Low	64.1	Low	39 Å²	39	69.4 Å²	69.4	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-47.3	175	-67.2	159.6	0	0	0	110.5	P413 K451 Q455 R461 Y462 A463	P413-I459 HydrophobicContact CB-CD1 4.45Å; P413-I459 HydrophobicContact CG-CD1 3.24Å; P413-I459 HydrophobicContact CG-CG1 3.19Å; K451-I459 HydrophobicContact CD-CD1 3.58Å; K451-I459 HydrophobicContact CG-CD1 4.38Å; Q455-I459 VanDerWaalsContact O-CG1 3.25Å; Q455-I459 WeakPolarHBondContact O-CG1 3.48Å; Q455-I459 PolarHBondContact O-N 3.4Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 PolarHBondContact O-N 3.2Å; I459-Y462 PolarHBondContact O-N 3.39Å; I459-A463 VanDerWaalsContact O-CB 3.31Å; I459-A463 WeakPolarHBondContact O-CB 3.5Å; I459-A463 PolarHBondContact O-N 3.23Å
460	C	61.8	Low	64.2	Low	50 Å²	50	71.3 Å²	71.3	34%	0.338	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-47.3	179.9	-172.7	0	0	0	0	110.8	R456 V457 V458 Y462 A463 Q464	R456-C460 VanDerWaalsContact O-CB 3.25Å; R456-C460 WeakPolarHBondContact O-CB 3.34Å; R456-C460 PolarHBondContact O-N 2.95Å; V457-C460 WeakPolarHBondContact O-CB 3.48Å; V457-C460 PolarHBondContact O-N 2.78Å; V458-C460 VanDerWaalsContact C-N 3.31Å; V458-C460 PolarHBondContact O-N 3.47Å; C460-Y462 PolarHBondContact O-N 2.86Å; C460-A463 PolarHBondContact O-N 2.88Å; C460-Q464 VanDerWaalsContact O-CB 3.31Å; C460-Q464 WeakPolarHBondContact O-CB 3.43Å; C460-Q464 WeakPolarHBondContact O-CG 3.49Å; C460-Q464 PolarHBondContact O-N 2.98Å; C460-Q464 PolarHBondContact SG-NE2 3.48Å; C460-Q464 VanDerWaalsContact SG-NE2 3.35Å
461	R	61.7	Low	64.3	Low	90 Å²	90	62 Å²	62	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-40.9	175.7	-72.1	-176	-174.8	-118.9	22.9	112.4	V457 V458 I459 K465 C500 C503	V457-R461 WeakPolarHBondContact O-CG 3.18Å; V457-R461 PolarHBondContact O-N 3.31Å; V458-R461 PolarHBondContact O-N 2.91Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 PolarHBondContact O-N 3.2Å; R461-K465 WeakPolarHBondContact O-CB 3.38Å; R461-K465 WeakPolarHBondContact O-CG 3.47Å; R461-K465 PolarHBondContact O-N 2.84Å; R461-C500 PolarHBondContact NH1-O 3.32Å; R461-C503 VanDerWaalsContact CZ-O 3.29Å; R461-C503 PolarHBondContact NE-O 3.11Å; R461-C503 PolarHBondContact NE-OXT 2.85Å; R461-C503 PolarHBondContact NH1-OXT 3.44Å; R461-C503 PolarHBondContact NH2-O 3.49Å; R461-C503 PolarHBondContact NH2-OXT 3.23Å
462	Y	62.8	Low	64.4	Low	42 Å²	42	63.2 Å²	63.2	17%	0.165	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-48.1	176.2	-97.5	-95.4	0	0	0	112.2	P245 I246 N412 V458 I459 C460 Q464 K465 R466	P245-Y462 VanDerWaalsContact C-OH 3.25Å; P245-Y462 WeakPolarHBondContact CA-OH 3.5Å; P245-Y462 HydrophobicContact CB-CE1 4.17Å; P245-Y462 WeakPolarHBondContact CB-OH 3.33Å; I246-Y462 VanDerWaalsContact C-OH 3.3Å; I246-Y462 WeakPolarHBondContact CA-OH 3.27Å; I246-Y462 HydrophobicContact CB-CE1 4.32Å; I246-Y462 HydrophobicContact CB-CE2 4.48Å; I246-Y462 HydrophobicContact CG1-CE1 4.44Å; I246-Y462 PolarHBondContact N-OH 2.79Å; I246-Y462 PolarHBondContact O-OH 3.15Å; N412-Y462 HydrophobicContact CB-CE1 4.34Å; N412-Y462 HydrophobicContact CB-CE2 4.24Å; V458-Y462 HydrophobicContact CG1-CD2 3.65Å; V458-Y462 HydrophobicContact CG1-CE2 3.72Å; V458-Y462 WeakPolarHBondContact O-CB 3.31Å; V458-Y462 WeakPolarHBondContact O-CD2 3.39Å; V458-Y462 PolarHBondContact O-N 2.9Å; I459-Y462 PolarHBondContact O-N 3.39Å; C460-Y462 PolarHBondContact O-N 2.86Å; Y462-Q464 VanDerWaalsContact C-N 3.33Å; Y462-Q464 PolarHBondContact O-N 3.45Å; Y462-K465 PolarHBondContact O-N 3.26Å; Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 2.93Å
463	A	63	Low	64.4	Low	55 Å²	55	68.8 Å²	68.8	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-44	176.9	0	0	0	0	0	110.8	I459 C460 R466 L467	I459-A463 VanDerWaalsContact O-CB 3.31Å; I459-A463 WeakPolarHBondContact O-CB 3.5Å; I459-A463 PolarHBondContact O-N 3.23Å; C460-A463 PolarHBondContact O-N 2.88Å; A463-R466 PolarHBondContact O-N 2.85Å; A463-L467 VanDerWaalsContact O-CB 3.31Å; A463-L467 WeakPolarHBondContact O-CB 3.26Å; A463-L467 PolarHBondContact O-N 3.48Å
464	Q	62.3	Low	64.8	Low	24 Å²	24	69.2 Å²	69.2	11%	0.112	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-44.8	175.7	-73.9	172.6	-3.7	0	0	112.4	C460 Y462 L467 C468 L496 C500	C460-Q464 VanDerWaalsContact O-CB 3.31Å; C460-Q464 WeakPolarHBondContact O-CB 3.43Å; C460-Q464 WeakPolarHBondContact O-CG 3.49Å; C460-Q464 PolarHBondContact O-N 2.98Å; C460-Q464 PolarHBondContact SG-NE2 3.48Å; C460-Q464 VanDerWaalsContact SG-NE2 3.35Å; Y462-Q464 VanDerWaalsContact C-N 3.33Å; Y462-Q464 PolarHBondContact O-N 3.45Å; Q464-L467 PolarHBondContact O-N 3.01Å; Q464-C468 WeakPolarHBondContact O-CB 3.5Å; Q464-C468 PolarHBondContact O-N 3.06Å; Q464-L496 HydrophobicContact CG-CD2 4.49Å; Q464-C500 HydrophobicContact CB-CB 4.24Å
465	K	61.8	Low	65.2	Low	74 Å²	74	68.3 Å²	68.3	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-46.1	175.5	-81.2	-173	178.2	-177.6	0	111.8	I246 R461 Y462 L467 C468 Y469	I246-K465 HydrophobicContact CD1-CD 3.27Å; R461-K465 WeakPolarHBondContact O-CB 3.38Å; R461-K465 WeakPolarHBondContact O-CG 3.47Å; R461-K465 PolarHBondContact O-N 2.84Å; Y462-K465 PolarHBondContact O-N 3.26Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.36Å; K465-C468 WeakPolarHBondContact O-CB 3.29Å; K465-C468 PolarHBondContact O-N 3.41Å; K465-C468 VanDerWaalsContact O-N 3.16Å; K465-Y469 WeakPolarHBondContact O-CD2 3.27Å; K465-Y469 PolarHBondContact O-N 3.29Å
466	R	63.9	Low	65.5	Low	145 Å²	145	71 Å²	71	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-59.6	-44	177.1	-170	178.8	-178.2	-174.9	3.6	111.3	E378 Y462 A463 C468 Y469 S470	E378-R466 IonicContact OE1-CZ 3.95Å; E378-R466 IonicContact OE1-NH1 3.99Å; E378-R466 PolarHBondContact OE1-NH1 2.87Å; E378-R466 IonicContact OE1-NH2 2.67Å; Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 2.93Å; A463-R466 PolarHBondContact O-N 2.85Å; R466-C468 VanDerWaalsContact C-N 3.34Å; R466-C468 PolarHBondContact O-N 3.49Å; R466-Y469 PolarHBondContact O-N 3.34Å; R466-S470 WeakPolarHBondContact O-CB 3.45Å; R466-S470 PolarHBondContact O-N 2.96Å
467	L	63.9	Low	65.9	Low	97 Å²	97	70.9 Å²	70.9	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.8	-153.5	76.5	0	0	0	111.2	A463 Q464 K465 S470 L471 L496	A463-L467 VanDerWaalsContact O-CB 3.31Å; A463-L467 WeakPolarHBondContact O-CB 3.26Å; A463-L467 PolarHBondContact O-N 3.48Å; Q464-L467 PolarHBondContact O-N 3.01Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.36Å; L467-S470 PolarHBondContact O-N 2.92Å; L467-L471 WeakPolarHBondContact O-CB 3.36Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.43Å; L467-L471 PolarHBondContact O-N 3.45Å; L467-L496 HydrophobicContact CB-CD1 4.38Å; L467-L496 HydrophobicContact CD2-CD1 3.73Å; L467-L496 HydrophobicContact CD2-CD2 4.07Å; L467-L496 HydrophobicContact CG-CD1 4.22Å
468	C	63.1	Low	66.4	Low	3 Å²	3	70.3 Å²	70.3	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-63.3	-45.2	175.8	-174.7	0	0	0	0	112.5	Q464 K465 R466 L471 Q472 A493 L497	Q464-C468 WeakPolarHBondContact O-CB 3.5Å; Q464-C468 PolarHBondContact O-N 3.06Å; K465-C468 WeakPolarHBondContact O-CB 3.29Å; K465-C468 PolarHBondContact O-N 3.41Å; K465-C468 VanDerWaalsContact O-N 3.16Å; R466-C468 VanDerWaalsContact C-N 3.34Å; R466-C468 PolarHBondContact O-N 3.49Å; C468-L471 PolarHBondContact O-N 3.22Å; C468-Q472 WeakPolarHBondContact O-CG 3.31Å; C468-Q472 PolarHBondContact O-N 2.87Å; C468-A493 PolarHBondContact SG-O 3.34Å; C468-A493 VanDerWaalsContact SG-O 3.37Å; C468-L497 HydrophobicContact CB-CD1 4.16Å; C468-L497 WeakPolarHBondContact SG-CD1 3.37Å
469	Y	64.6	Low	67.1	Low	150 Å²	150	73 Å²	73	59%	0.588	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-42.4	176	-81.4	-67.6	0	0	0	111.8	K465 R466 L471 Q472 M473	K465-Y469 WeakPolarHBondContact O-CD2 3.27Å; K465-Y469 PolarHBondContact O-N 3.29Å; R466-Y469 PolarHBondContact O-N 3.34Å; Y469-L471 PolarHBondContact O-N 2.91Å; Y469-Q472 PolarHBondContact O-N 3.16Å; Y469-M473 VanDerWaalsContact O-CG 3.29Å; Y469-M473 WeakPolarHBondContact O-CG 3.48Å; Y469-M473 PolarHBondContact O-N 3.35Å
470	S	65.9	Low	67.8	Low	63 Å²	63	81.6 Å²	81.6	44%	0.441	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-45.9	175	-177.2	0	0	0	0	111.9	R466 L467 Q472 M473 Q474	R466-S470 WeakPolarHBondContact O-CB 3.45Å; R466-S470 PolarHBondContact O-N 2.96Å; L467-S470 PolarHBondContact O-N 2.92Å; S470-Q472 PolarHBondContact O-N 2.88Å; S470-M473 PolarHBondContact O-N 2.89Å; S470-Q474 WeakPolarHBondContact O-CG 3.35Å; S470-Q474 PolarHBondContact O-N 2.6Å
471	L	69	Low	68.9	Low	32 Å²	32	87.3 Å²	87.3	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-39.9	175.3	-70	166.8	0	0	0	111.9	L467 C468 Y469 Q474 V475 I489 A492 A493 L496	L467-L471 WeakPolarHBondContact O-CB 3.36Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.43Å; L467-L471 PolarHBondContact O-N 3.45Å; C468-L471 PolarHBondContact O-N 3.22Å; Y469-L471 PolarHBondContact O-N 2.91Å; L471-Q474 PolarHBondContact O-N 3.07Å; L471-V475 WeakPolarHBondContact O-CG2 3.17Å; L471-V475 PolarHBondContact O-N 3.41Å; L471-I489 HydrophobicContact CB-CG2 3.83Å; L471-I489 HydrophobicContact CD2-CG2 3.76Å; L471-I489 HydrophobicContact CG-CG2 4.38Å; L471-I489 VanDerWaalsContact O-CG2 3.3Å; L471-I489 WeakPolarHBondContact O-CG2 3.39Å; L471-A492 HydrophobicContact CD1-CB 4.31Å; L471-A493 HydrophobicContact CB-CB 4.05Å; L471-A493 HydrophobicContact CD1-CB 4.41Å; L471-L496 HydrophobicContact CD1-CD1 3.38Å
472	Q	68.3	Low	69.7	Low	100 Å²	100	87.2 Å²	87.2	47%	0.467	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.9	-75.9	179.8	-11.7	0	0	112.3	C468 Y469 S470 V475 G476 A493	C468-Q472 WeakPolarHBondContact O-CG 3.31Å; C468-Q472 PolarHBondContact O-N 2.87Å; Y469-Q472 PolarHBondContact O-N 3.16Å; S470-Q472 PolarHBondContact O-N 2.88Å; Q472-V475 PolarHBondContact O-N 3.47Å; Q472-G476 PolarHBondContact O-N 2.82Å; Q472-G476 VanDerWaalsContact O-N 3.09Å; Q472-A493 HydrophobicContact CG-CB 4.4Å
473	M	66.3	Low	70.5	Confident	133 Å²	133	89.3 Å²	89.3	66%	0.655	44%	0.443	S	S	*	.	H	α-helix	trans	-62.2	-42.5	174.8	-66.6	-119.1	90.9	0	0	111.6	Y469 S470 V475 G476 Q477	Y469-M473 VanDerWaalsContact O-CG 3.29Å; Y469-M473 WeakPolarHBondContact O-CG 3.48Å; Y469-M473 PolarHBondContact O-N 3.35Å; S470-M473 PolarHBondContact O-N 2.89Å; M473-V475 VanDerWaalsContact C-N 3.33Å; M473-V475 PolarHBondContact O-N 2.72Å; M473-G476 WeakPolarHBondContact O-CA 3.45Å; M473-G476 PolarHBondContact O-N 3.43Å; M473-Q477 WeakPolarHBondContact O-CG 3.46Å; M473-Q477 PolarHBondContact O-N 3.42Å
474	Q	72.7	Confident	71.3	Confident	90 Å²	90	94.3 Å²	94.3	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-60.2	-40.1	174.6	-74.1	-179.1	-12	0	0	112.4	S470 L471 G476 Q477 L478	S470-Q474 WeakPolarHBondContact O-CG 3.35Å; S470-Q474 PolarHBondContact O-N 2.6Å; L471-Q474 PolarHBondContact O-N 3.07Å; Q474-G476 VanDerWaalsContact C-N 3.28Å; Q474-G476 PolarHBondContact O-N 3.46Å; Q474-Q477 PolarHBondContact O-N 3.48Å; Q474-L478 WeakPolarHBondContact O-CG 3.3Å; Q474-L478 PolarHBondContact O-N 3.29Å; Q474-L478 VanDerWaalsContact O-N 3.13Å
475	V	72.6	Confident	72.1	Confident	28 Å²	28	97.9 Å²	97.9	17%	0.17	47%	0.471	C	S	.	.	H	α-helix	trans	-62.1	-38	173.7	175.1	0	0	0	0	111.4	L471 Q472 M473 R486 I489	L471-V475 WeakPolarHBondContact O-CG2 3.17Å; L471-V475 PolarHBondContact O-N 3.41Å; Q472-V475 PolarHBondContact O-N 3.47Å; M473-V475 VanDerWaalsContact C-N 3.33Å; M473-V475 PolarHBondContact O-N 2.72Å; V475-R486 HydrophobicContact CG1-CB 4.24Å; V475-R486 HydrophobicContact CG1-CG 4.29Å; V475-R486 VanDerWaalsContact O-CZ 3.29Å; V475-R486 PolarHBondContact O-NE 3.13Å; V475-R486 PolarHBondContact O-NH2 2.92Å; V475-I489 HydrophobicContact CG2-CB 3.68Å; V475-I489 HydrophobicContact CG2-CG2 3.42Å; V475-I489 VanDerWaalsContact CG2-CG2 3.42Å
476	G	72	Confident	72.9	Confident	57 Å²	57	97.4 Å²	97.4	59%	0.588	47%	0.468	S	S	*	.	H	α-helix	trans	-63.5	-38.3	176.7	0	0	0	0	0	113.2	Q472 M473 Q474	Q472-G476 PolarHBondContact O-N 2.82Å; Q472-G476 VanDerWaalsContact O-N 3.09Å; M473-G476 WeakPolarHBondContact O-CA 3.45Å; M473-G476 PolarHBondContact O-N 3.43Å; Q474-G476 VanDerWaalsContact C-N 3.28Å; Q474-G476 PolarHBondContact O-N 3.46Å
477	Q	77.5	Confident	73.7	Confident	157 Å²	157	95 Å²	95	73%	0.734	47%	0.465	S	S	*	.	H	α-helix	trans	-79.6	-23	-178.9	-68.6	177.1	-10.6	0	0	113.9	M473 Q474	M473-Q477 WeakPolarHBondContact O-CG 3.46Å; M473-Q477 PolarHBondContact O-N 3.42Å; Q474-Q477 PolarHBondContact O-N 3.48Å
478	L	73.6	Confident	74.4	Confident	37 Å²	37	94.8 Å²	94.8	19%	0.194	46%	0.464	C	S	.	.	S	Bend	trans	-68.8	129.7	178.6	-79.9	168.1	0	0	0	112.1	Q474 Q485 R486 I489	Q474-L478 WeakPolarHBondContact O-CG 3.3Å; Q474-L478 PolarHBondContact O-N 3.29Å; Q474-L478 VanDerWaalsContact O-N 3.13Å; L478-Q485 HydrophobicContact CD1-CG 4.35Å; L478-R486 HydrophobicContact CB-CG 3.83Å; L478-R486 HydrophobicContact CD1-CG 4.01Å; L478-R486 PolarHBondContact O-NE 3.06Å; L478-R486 PolarHBondContact O-NH2 3.46Å; L478-I489 HydrophobicContact CD1-CD1 3.57Å
479	P	78	Confident	75.1	Confident	68 Å²	68	95.8 Å²	95.8	44%	0.442	47%	0.469	S	S	.	.			trans	-56.4	143.9	175.8	-24.4	32	0	0	0	112.3	K481 F482	P479-K481 HydrophobicContact CB-CG 4.21Å; P479-K481 PolarHBondContact O-N 2.9Å; P479-F482 HydrophobicContact CB-CD2 3.88Å; P479-F482 HydrophobicContact CB-CE2 4.14Å; P479-F482 HydrophobicContact CG-CD2 3.97Å; P479-F482 HydrophobicContact CG-CE2 3.95Å; P479-F482 PolarHBondContact O-N 3.3Å
480	R	79.4	Confident	75.7	Confident	218 Å²	218	90.4 Å²	90.4	82%	0.823	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.4	-174.7	-73	-174	178.9	-165.5	0.5	114.5	F482 V483	R480-F482 VanDerWaalsContact C-N 3.28Å; R480-F482 PolarHBondContact O-N 3.05Å; R480-V483 WeakPolarHBondContact O-CG2 3.43Å
481	K	83.8	Confident	76.2	Confident	171 Å²	171	89.2 Å²	89.2	74%	0.743	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22	177.7	63.2	-179.2	179.6	-179.7	0	114.7	P479 V483	P479-K481 HydrophobicContact CB-CG 4.21Å; P479-K481 PolarHBondContact O-N 2.9Å; K481-V483 PolarHBondContact O-N 2.97Å
482	F	80.2	Confident	76.5	Confident	88 Å²	88	89.5 Å²	89.5	39%	0.386	45%	0.452	S	S	.	.			trans	-85.5	51.8	-179.9	-67.3	-81.7	0	0	0	112.6	P479 R480 F484 Q485 R486	P479-F482 HydrophobicContact CB-CD2 3.88Å; P479-F482 HydrophobicContact CB-CE2 4.14Å; P479-F482 HydrophobicContact CG-CD2 3.97Å; P479-F482 HydrophobicContact CG-CE2 3.95Å; P479-F482 PolarHBondContact O-N 3.3Å; R480-F482 VanDerWaalsContact C-N 3.28Å; R480-F482 PolarHBondContact O-N 3.05Å; F482-F484 PolarHBondContact O-N 3.09Å; F482-Q485 HydrophobicContact CB-CB 4.43Å; F482-Q485 PolarHBondContact O-N 3.26Å; F482-R486 WeakPolarHBondContact O-CG 3.41Å; F482-R486 PolarHBondContact O-N 3.24Å
483	V	78.6	Confident	76.6	Confident	85 Å²	85	84.9 Å²	84.9	52%	0.515	43%	0.431	S	S	.	.	H	α-helix	trans	-56.9	-45.6	-172.9	-179.8	0	0	0	0	112.4	R480 K481 Q485 R486 N487	R480-V483 WeakPolarHBondContact O-CG2 3.43Å; K481-V483 PolarHBondContact O-N 2.97Å; V483-Q485 PolarHBondContact O-N 3.43Å; V483-R486 PolarHBondContact O-N 2.96Å; V483-N487 PolarHBondContact O-N 3.37Å; V483-N487 PolarHBondContact O-ND2 3.21Å
484	F	81	Confident	76.8	Confident	161 Å²	161	86.3 Å²	86.3	71%	0.706	43%	0.429	S	S	*	.	H	α-helix	trans	-61.5	-46.9	-178.8	-175.3	-103.8	0	0	0	112.3	F482 N487 I488	F482-F484 PolarHBondContact O-N 3.09Å; F484-N487 PolarHBondContact O-N 3.5Å; F484-I488 HydrophobicContact CD1-CD1 3.74Å; F484-I488 HydrophobicContact CE1-CD1 3.28Å; F484-I488 HydrophobicContact CE1-CG1 4.34Å; F484-I488 HydrophobicContact CZ-CD1 3.74Å; F484-I488 PolarHBondContact O-N 2.93Å
485	Q	78.4	Confident	76.7	Confident	99 Å²	99	90.3 Å²	90.3	46%	0.463	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-39.5	-179.7	-159.3	165.5	8.2	0	0	111.6	L478 F482 V483 N487 I488 I489	L478-Q485 HydrophobicContact CD1-CG 4.35Å; F482-Q485 HydrophobicContact CB-CB 4.43Å; F482-Q485 PolarHBondContact O-N 3.26Å; V483-Q485 PolarHBondContact O-N 3.43Å; Q485-N487 VanDerWaalsContact C-N 3.32Å; Q485-N487 PolarHBondContact O-N 3.49Å; Q485-I488 PolarHBondContact O-N 3.48Å; Q485-I489 HydrophobicContact CG-CD1 4.33Å; Q485-I489 WeakPolarHBondContact O-CG1 3.34Å; Q485-I489 PolarHBondContact O-N 3.37Å; Q485-I489 VanDerWaalsContact O-N 3.11Å
486	R	78.6	Confident	76.3	Confident	64 Å²	64	90.6 Å²	90.6	24%	0.242	44%	0.44	C	S	.	.	H	α-helix	trans	-59.6	-41.2	172.2	-69.9	-178.9	104.8	178.1	12.4	111.8	V475 L478 F482 V483 S490	V475-R486 HydrophobicContact CG1-CB 4.24Å; V475-R486 HydrophobicContact CG1-CG 4.29Å; V475-R486 VanDerWaalsContact O-CZ 3.29Å; V475-R486 PolarHBondContact O-NE 3.13Å; V475-R486 PolarHBondContact O-NH2 2.92Å; L478-R486 HydrophobicContact CB-CG 3.83Å; L478-R486 HydrophobicContact CD1-CG 4.01Å; L478-R486 PolarHBondContact O-NE 3.06Å; L478-R486 PolarHBondContact O-NH2 3.46Å; F482-R486 WeakPolarHBondContact O-CG 3.41Å; F482-R486 PolarHBondContact O-N 3.24Å; V483-R486 PolarHBondContact O-N 2.96Å; R486-S490 WeakPolarHBondContact O-CB 3.33Å; R486-S490 PolarHBondContact O-N 3.34Å
487	N	80.4	Confident	75.8	Confident	94 Å²	94	91.7 Å²	91.7	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-41	178.2	-76.2	-19.4	0	0	0	112.8	V483 F484 Q485 S490 S491	V483-N487 PolarHBondContact O-N 3.37Å; V483-N487 PolarHBondContact O-ND2 3.21Å; F484-N487 PolarHBondContact O-N 3.5Å; Q485-N487 VanDerWaalsContact C-N 3.32Å; Q485-N487 PolarHBondContact O-N 3.49Å; N487-S490 PolarHBondContact O-N 3.04Å; N487-S491 WeakPolarHBondContact O-CB 3.4Å; N487-S491 PolarHBondContact O-N 2.75Å
488	I	79.6	Confident	74.9	Confident	92 Å²	92	92 Å²	92	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-52.2	176.1	-70.4	172.4	0	0	0	110.5	F484 Q485 S490 S491 A492	F484-I488 HydrophobicContact CD1-CD1 3.74Å; F484-I488 HydrophobicContact CE1-CD1 3.28Å; F484-I488 HydrophobicContact CE1-CG1 4.34Å; F484-I488 HydrophobicContact CZ-CD1 3.74Å; F484-I488 PolarHBondContact O-N 2.93Å; Q485-I488 PolarHBondContact O-N 3.48Å; I488-S490 VanDerWaalsContact C-N 3.32Å; I488-S490 PolarHBondContact O-N 3.35Å; I488-S491 WeakPolarHBondContact O-CB 3.36Å; I488-S491 PolarHBondContact O-N 2.93Å; I488-S491 VanDerWaalsContact O-N 3.16Å; I488-A492 PolarHBondContact O-N 3.41Å
489	I	77.2	Confident	74	Confident	24 Å²	24	95.2 Å²	95.2	12%	0.123	44%	0.443	C	S	.	.	H	α-helix	trans	-63.7	-41	-177.8	-61.6	169	0	0	0	110.4	L471 V475 L478 Q485 S491 A492 A493	L471-I489 HydrophobicContact CB-CG2 3.83Å; L471-I489 HydrophobicContact CD2-CG2 3.76Å; L471-I489 HydrophobicContact CG-CG2 4.38Å; L471-I489 VanDerWaalsContact O-CG2 3.3Å; L471-I489 WeakPolarHBondContact O-CG2 3.39Å; V475-I489 HydrophobicContact CG2-CB 3.68Å; V475-I489 HydrophobicContact CG2-CG2 3.42Å; V475-I489 VanDerWaalsContact CG2-CG2 3.42Å; L478-I489 HydrophobicContact CD1-CD1 3.57Å; Q485-I489 HydrophobicContact CG-CD1 4.33Å; Q485-I489 WeakPolarHBondContact O-CG1 3.34Å; Q485-I489 PolarHBondContact O-N 3.37Å; Q485-I489 VanDerWaalsContact O-N 3.11Å; I489-S491 PolarHBondContact O-N 2.89Å; I489-A492 PolarHBondContact O-N 3.22Å; I489-A493 WeakPolarHBondContact O-CB 3.46Å; I489-A493 PolarHBondContact O-N 3.05Å
490	S	76.6	Confident	72.9	Confident	38 Å²	38	92.1 Å²	92.1	27%	0.266	42%	0.423	S	S	.	.	H	α-helix	trans	-66.4	-32.8	176	-171.7	0	0	0	0	113.2	R486 N487 I488 R494	R486-S490 WeakPolarHBondContact O-CB 3.33Å; R486-S490 PolarHBondContact O-N 3.34Å; N487-S490 PolarHBondContact O-N 3.04Å; I488-S490 VanDerWaalsContact C-N 3.32Å; I488-S490 PolarHBondContact O-N 3.35Å; S490-R494 WeakPolarHBondContact O-CG 3.44Å; S490-R494 PolarHBondContact O-N 3.35Å; S490-R494 VanDerWaalsContact O-N 3.11Å; S490-R494 PolarHBondContact O-NE 2.96Å; S490-R494 PolarHBondContact OG-NH2 3.13Å
491	S	76.9	Confident	71.7	Confident	38 Å²	38	87.3 Å²	87.3	27%	0.266	41%	0.414	S	S	.	.	H	α-helix	trans	-68.4	-44.7	171.8	-176.8	0	0	0	0	111.3	N487 I488 I489 A493 R494 R495	N487-S491 WeakPolarHBondContact O-CB 3.4Å; N487-S491 PolarHBondContact O-N 2.75Å; I488-S491 WeakPolarHBondContact O-CB 3.36Å; I488-S491 PolarHBondContact O-N 2.93Å; I488-S491 VanDerWaalsContact O-N 3.16Å; I489-S491 PolarHBondContact O-N 2.89Å; S491-A493 PolarHBondContact O-N 3.04Å; S491-R494 PolarHBondContact O-N 3.32Å; S491-R495 WeakPolarHBondContact O-CG 3.48Å; S491-R495 PolarHBondContact O-N 2.95Å; S491-R495 PolarHBondContact OG-NE 3.05Å; S491-R495 PolarHBondContact OG-NH2 3.42Å
492	A	75.2	Confident	69.8	Low	37 Å²	37	83.3 Å²	83.3	31%	0.306	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-46	176.3	0	0	0	0	0	111.5	L471 I488 I489 R494 R495 L496	L471-A492 HydrophobicContact CD1-CB 4.31Å; I488-A492 PolarHBondContact O-N 3.41Å; I489-A492 PolarHBondContact O-N 3.22Å; A492-R494 PolarHBondContact O-N 3.28Å; A492-R495 PolarHBondContact O-N 3.02Å; A492-L496 WeakPolarHBondContact O-CG 3.17Å; A492-L496 PolarHBondContact O-N 3.46Å
493	A	70	Confident	67.6	Low	4 Å²	4	82.7 Å²	82.7	3%	0.033	41%	0.412	C	S	.	.	H	α-helix	trans	-57.6	-45.6	175.2	0	0	0	0	0	111.8	C468 L471 Q472 I489 S491 L496 L497	C468-A493 PolarHBondContact SG-O 3.34Å; C468-A493 VanDerWaalsContact SG-O 3.37Å; L471-A493 HydrophobicContact CB-CB 4.05Å; L471-A493 HydrophobicContact CD1-CB 4.41Å; Q472-A493 HydrophobicContact CG-CB 4.4Å; I489-A493 WeakPolarHBondContact O-CB 3.46Å; I489-A493 PolarHBondContact O-N 3.05Å; S491-A493 PolarHBondContact O-N 3.04Å; A493-L496 PolarHBondContact O-N 3.01Å; A493-L497 PolarHBondContact O-N 3.32Å
494	R	71.2	Confident	67	Low	162 Å²	162	82.6 Å²	82.6	61%	0.611	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-40.4	176.3	-82.7	-179.6	-80.4	-157.7	-2.7	113.3	S490 S491 A492 L497 Y498	S490-R494 WeakPolarHBondContact O-CG 3.44Å; S490-R494 PolarHBondContact O-N 3.35Å; S490-R494 VanDerWaalsContact O-N 3.11Å; S490-R494 PolarHBondContact O-NE 2.96Å; S490-R494 PolarHBondContact OG-NH2 3.13Å; S491-R494 PolarHBondContact O-N 3.32Å; A492-R494 PolarHBondContact O-N 3.28Å; R494-L497 PolarHBondContact O-N 3.4Å; R494-Y498 WeakPolarHBondContact O-CB 3.44Å; R494-Y498 PolarHBondContact O-N 3.49Å
495	R	70	Confident	66.3	Low	175 Å²	175	78.4 Å²	78.4	66%	0.66	39%	0.391	S	S	*	.	H	α-helix	trans	-64.3	-43.3	176.2	-71	-177.6	-145.6	-148	4.1	111.5	S491 A492 L497 Y498 M499	S491-R495 WeakPolarHBondContact O-CG 3.48Å; S491-R495 PolarHBondContact O-N 2.95Å; S491-R495 PolarHBondContact OG-NE 3.05Å; S491-R495 PolarHBondContact OG-NH2 3.42Å; A492-R495 PolarHBondContact O-N 3.02Å; R495-L497 VanDerWaalsContact C-N 3.32Å; R495-L497 PolarHBondContact O-N 3.11Å; R495-Y498 PolarHBondContact O-N 2.93Å; R495-M499 WeakPolarHBondContact O-CG 3.49Å; R495-M499 PolarHBondContact O-N 3.34Å
496	L	64.1	Low	65.6	Low	33 Å²	33	77.3 Å²	77.3	17%	0.173	39%	0.387	C	S	.	.	H	α-helix	trans	-61.3	-41.7	175.1	-75.3	161.4	0	0	0	111.6	Q464 L467 L471 A492 A493 Y498 M499 C500	Q464-L496 HydrophobicContact CG-CD2 4.49Å; L467-L496 HydrophobicContact CB-CD1 4.38Å; L467-L496 HydrophobicContact CD2-CD1 3.73Å; L467-L496 HydrophobicContact CD2-CD2 4.07Å; L467-L496 HydrophobicContact CG-CD1 4.22Å; L471-L496 HydrophobicContact CD1-CD1 3.38Å; A492-L496 WeakPolarHBondContact O-CG 3.17Å; A492-L496 PolarHBondContact O-N 3.46Å; A493-L496 PolarHBondContact O-N 3.01Å; L496-Y498 VanDerWaalsContact C-N 3.34Å; L496-Y498 PolarHBondContact O-N 3.16Å; L496-M499 PolarHBondContact O-N 3.23Å; L496-C500 WeakPolarHBondContact O-CB 3.38Å; L496-C500 PolarHBondContact O-N 2.97Å
497	L	62.1	Low	64.8	Low	81 Å²	81	78.1 Å²	78.1	42%	0.424	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-40.5	175.1	-140.3	96.7	0	0	0	112	C468 A493 R494 R495 C500 N501	C468-L497 HydrophobicContact CB-CD1 4.16Å; C468-L497 WeakPolarHBondContact SG-CD1 3.37Å; A493-L497 PolarHBondContact O-N 3.32Å; R494-L497 PolarHBondContact O-N 3.4Å; R495-L497 VanDerWaalsContact C-N 3.32Å; R495-L497 PolarHBondContact O-N 3.11Å; L497-C500 WeakPolarHBondContact O-CB 3.5Å; L497-C500 PolarHBondContact O-N 3.49Å; L497-N501 PolarHBondContact O-N 3.46Å; L497-N501 VanDerWaalsContact O-N 3.13Å
498	Y	58.9	Low	63.9	Low	163 Å²	163	77.1 Å²	77.1	64%	0.639	39%	0.389	S	S	*	.	H	α-helix	trans	-65.1	-46.3	176.9	-168.6	-93.5	0	0	0	111.5	R494 R495 L496 C500 N501 C502	R494-Y498 WeakPolarHBondContact O-CB 3.44Å; R494-Y498 PolarHBondContact O-N 3.49Å; R495-Y498 PolarHBondContact O-N 2.93Å; L496-Y498 VanDerWaalsContact C-N 3.34Å; L496-Y498 PolarHBondContact O-N 3.16Å; Y498-C500 PolarHBondContact O-N 2.93Å; Y498-N501 PolarHBondContact O-N 3.47Å; Y498-C502 WeakPolarHBondContact CE1-SG 3.42Å; Y498-C502 PolarHBondContact O-N 3.26Å; Y498-C502 PolarHBondContact O-SG 3.41Å
499	M	53.8	Low	62.8	Low	104 Å²	104	76.1 Å²	76.1	51%	0.512	38%	0.384	S	S	.	.	H	α-helix	trans	-58	-38.8	173.1	-69.9	-177.4	74.2	0	0	111.7	R495 L496 N501 C502 C503	R495-M499 WeakPolarHBondContact O-CG 3.49Å; R495-M499 PolarHBondContact O-N 3.34Å; L496-M499 PolarHBondContact O-N 3.23Å; M499-N501 VanDerWaalsContact C-N 3.25Å; M499-N501 PolarHBondContact O-N 2.94Å; M499-C502 PolarHBondContact O-N 3.22Å; M499-C503 PolarHBondContact O-N 2.88Å
500	C	55.8	Low	61.8	Low	3 Å²	3	79.8 Å²	79.8	2%	0.02	40%	0.402	C	S	.	.	H	α-helix	trans	-66.3	-24.2	176.9	-167.7	0	0	0	0	113.6	R461 Q464 L496 L497 Y498	R461-C500 PolarHBondContact NH1-O 3.32Å; Q464-C500 HydrophobicContact CB-CB 4.24Å; L496-C500 WeakPolarHBondContact O-CB 3.38Å; L496-C500 PolarHBondContact O-N 2.97Å; L497-C500 WeakPolarHBondContact O-CB 3.5Å; L497-C500 PolarHBondContact O-N 3.49Å; Y498-C500 PolarHBondContact O-N 2.93Å
501	N	52.5	Low	60.7	Low	117 Å²	117	83 Å²	83	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-88.3	-23.8	174.6	-72.9	-21.7	0	0	0	113	L497 Y498 M499	L497-N501 PolarHBondContact O-N 3.46Å; L497-N501 VanDerWaalsContact O-N 3.13Å; Y498-N501 PolarHBondContact O-N 3.47Å; M499-N501 VanDerWaalsContact C-N 3.25Å; M499-N501 PolarHBondContact O-N 2.94Å
502	C	43.8	Very low	59.3	Low	87 Å²	87	86.8 Å²	86.8	59%	0.588	43%	0.425	S	S	*	.	H	α-helix	trans	-86.5	-39.8	-179.9	-71.2	0	0	0	0	113.9	Y498 M499	Y498-C502 WeakPolarHBondContact CE1-SG 3.42Å; Y498-C502 PolarHBondContact O-N 3.26Å; Y498-C502 PolarHBondContact O-SG 3.41Å; M499-C502 PolarHBondContact O-N 3.22Å
503	C	34.3	Very low	57.9	Low	75 Å²	75	91.3 Å²	91.3	51%	0.507	44%	0.436	S	S	.	.			trans	-64.2	0	159.6	-64	0	0	0	0	108.8	R461 M499	R461-C503 VanDerWaalsContact CZ-O 3.29Å; R461-C503 PolarHBondContact NE-O 3.11Å; R461-C503 PolarHBondContact NE-OXT 2.85Å; R461-C503 PolarHBondContact NH1-OXT 3.44Å; R461-C503 PolarHBondContact NH2-O 3.49Å; R461-C503 PolarHBondContact NH2-OXT 3.23Å; M499-C503 PolarHBondContact O-N 2.88Å

Retrieved 503 of 503 residues in 462 ms (Link to these results)

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