A0A077Z6X5_TRITR Loading...

WD40 and Acyltransferase and PRP4 domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077Z6X5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 608 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	65.9	Low	244 Å²	244	141.3 Å²	141.3	100%	1.202	71%	0.711	S	S	*	*				0	73.1	0	-71.8	-174.4	-170.8	0	0	108.3	K3	M1-K3 PolarHBondContact O-N 3.05Å
2	E	41.5	Very low	67.4	Low	196 Å²	196	138.1 Å²	138.1	92%	0.916	70%	0.696	S	S	*	*			trans	-80.3	108.9	164.6	-79.2	177.7	145.4	0	0	106.5	V4	E2-V4 PolarHBondContact O-N 2.93Å
3	K	54.8	Low	68.7	Low	194 Å²	194	134.1 Å²	134.1	84%	0.843	68%	0.677	S	S	*	*			trans	-64.2	106.6	169.8	-74	-178.5	177.3	178.4	0	106.5	M1 K5	M1-K3 PolarHBondContact O-N 3.05Å; K3-K5 VanDerWaalsContact C-N 3.33Å; K3-K5 PolarHBondContact O-N 3.34Å
4	V	55.4	Low	69.6	Low	127 Å²	127	127.1 Å²	127.1	77%	0.77	65%	0.65	S	S	*	*			trans	-51.6	102.7	163.7	179.3	0	0	0	0	106	E2 D6	E2-V4 PolarHBondContact O-N 2.93Å; V4-D6 PolarHBondContact O-N 3.46Å
5	K	59.3	Low	70.4	Confident	157 Å²	157	124.6 Å²	124.6	68%	0.683	64%	0.635	S	S	*	*			trans	-72	115.5	174.3	-72.4	-177	177.9	-177.8	0	106.1	K3 P7	K3-K5 VanDerWaalsContact C-N 3.33Å; K3-K5 PolarHBondContact O-N 3.34Å; K5-P7 WeakPolarHBondContact O-CD 3.23Å; K5-P7 VanDerWaalsContact O-N 3.07Å
6	D	69.4	Low	71.1	Confident	106 Å²	106	125.4 Å²	125.4	57%	0.567	63%	0.633	S	S	*	*			trans	-59.8	110.8	174	-71	-40.7	0	0	0	108.7	V4 N8 R9 D10	V4-D6 PolarHBondContact O-N 3.46Å; D6-N8 PolarHBondContact O-N 3.19Å; D6-N8 VanDerWaalsContact O-N 3.08Å; D6-R9 HydrophobicContact CB-CB 4.16Å; D6-R9 PolarHBondContact O-N 3.48Å; D6-D10 PolarHBondContact O-N 3.02Å
7	P	76.6	Confident	71.7	Confident	97 Å²	97	124.4 Å²	124.4	63%	0.63	63%	0.625	S	S	*	*	H	α-helix	trans	-60.3	-27.4	-175.3	23.6	-33.3	0	0	0	111.8	K5 A11	K5-P7 WeakPolarHBondContact O-CD 3.23Å; K5-P7 VanDerWaalsContact O-N 3.07Å; P7-A11 WeakPolarHBondContact O-CB 3.36Å; P7-A11 PolarHBondContact O-N 3.38Å
8	N	80.9	Confident	72	Confident	125 Å²	125	124.2 Å²	124.2	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-37.6	175.8	-74.3	-4.6	0	0	0	113	D6 A11 I12	D6-N8 PolarHBondContact O-N 3.19Å; D6-N8 VanDerWaalsContact O-N 3.08Å; N8-A11 PolarHBondContact O-N 3.39Å; N8-I12 WeakPolarHBondContact O-CD1 3.44Å; N8-I12 WeakPolarHBondContact O-CG1 3.38Å; N8-I12 PolarHBondContact O-N 3.08Å
9	R	81.4	Confident	72.3	Confident	175 Å²	175	125.3 Å²	125.3	66%	0.66	61%	0.612	S	S	*	*	H	α-helix	trans	-69.1	-42.9	-179.9	-177.8	177.6	172.1	153	0.2	110.7	D6 A11 I12 L13	D6-R9 HydrophobicContact CB-CB 4.16Å; D6-R9 PolarHBondContact O-N 3.48Å; R9-A11 VanDerWaalsContact C-N 3.34Å; R9-I12 PolarHBondContact O-N 3.22Å; R9-L13 HydrophobicContact CG-CD1 4.21Å; R9-L13 WeakPolarHBondContact O-CG 3.42Å; R9-L13 PolarHBondContact O-N 3.41Å
10	D	80.7	Confident	72.8	Confident	75 Å²	75	125.3 Å²	125.3	40%	0.401	61%	0.609	S	S	.	*	H	α-helix	trans	-65.6	-39.2	177.7	-71.5	-6.8	0	0	0	111	D6 L13 A14	D6-D10 PolarHBondContact O-N 3.02Å; D10-L13 PolarHBondContact O-N 3.43Å; D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.1Å
11	A	82.2	Confident	73	Confident	58 Å²	58	123.2 Å²	123.2	48%	0.479	59%	0.594	S	S	.	*	H	α-helix	trans	-63.1	-42.6	174.9	0	0	0	0	0	113	P7 N8 R9 A14 E15	P7-A11 WeakPolarHBondContact O-CB 3.36Å; P7-A11 PolarHBondContact O-N 3.38Å; N8-A11 PolarHBondContact O-N 3.39Å; R9-A11 VanDerWaalsContact C-N 3.34Å; A11-A14 PolarHBondContact O-N 2.89Å; A11-E15 PolarHBondContact O-N 3.21Å
12	I	84.7	Confident	74.7	Confident	103 Å²	103	112.2 Å²	112.2	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-66.2	-42.3	178.3	-68	163.2	0	0	0	110.9	N8 R9 E15 F16	N8-I12 WeakPolarHBondContact O-CD1 3.44Å; N8-I12 WeakPolarHBondContact O-CG1 3.38Å; N8-I12 PolarHBondContact O-N 3.08Å; R9-I12 PolarHBondContact O-N 3.22Å; I12-E15 PolarHBondContact O-N 3.13Å; I12-F16 PolarHBondContact O-N 3.48Å
13	L	83.6	Confident	76.4	Confident	86 Å²	86	111.5 Å²	111.5	45%	0.45	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-44.5	176.4	-73.5	169.9	0	0	0	111.1	R9 D10 E15 F16 E17	R9-L13 HydrophobicContact CG-CD1 4.21Å; R9-L13 WeakPolarHBondContact O-CG 3.42Å; R9-L13 PolarHBondContact O-N 3.41Å; D10-L13 PolarHBondContact O-N 3.43Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.45Å; L13-F16 WeakPolarHBondContact O-CB 3.32Å; L13-F16 PolarHBondContact O-N 2.96Å; L13-E17 WeakPolarHBondContact O-CG 3.46Å; L13-E17 PolarHBondContact O-N 2.91Å
14	A	82	Confident	77.5	Confident	37 Å²	37	109 Å²	109	31%	0.306	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-40.1	175.9	0	0	0	0	0	112.3	D10 A11 E17 R18	D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.1Å; A11-A14 PolarHBondContact O-N 2.89Å; A14-E17 PolarHBondContact O-N 3.2Å; A14-R18 VanDerWaalsContact O-CG 3.28Å; A14-R18 WeakPolarHBondContact O-CG 3.31Å; A14-R18 PolarHBondContact O-N 2.87Å
15	E	80.5	Confident	78.4	Confident	89 Å²	89	104.4 Å²	104.4	42%	0.416	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-39.5	175.5	-164.1	-173.5	170.4	0	0	112	A11 I12 L13 R18 R19	A11-E15 PolarHBondContact O-N 3.21Å; I12-E15 PolarHBondContact O-N 3.13Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.45Å; E15-R18 PolarHBondContact O-N 3.3Å; E15-R19 WeakPolarHBondContact O-CG 3.28Å; E15-R19 PolarHBondContact O-N 3.23Å; E15-R19 IonicContact OE1-CZ 3.69Å; E15-R19 VanDerWaalsContact OE1-CZ 3.3Å; E15-R19 IonicContact OE1-NE 2.61Å; E15-R19 PolarHBondContact OE1-NE 3.16Å; E15-R19 IonicContact OE1-NH2 2.64Å; E15-R19 PolarHBondContact OE1-NH2 3.15Å
16	F	82.1	Confident	79.4	Confident	138 Å²	138	102.9 Å²	102.9	61%	0.605	50%	0.497	S	S	*	.	H	α-helix	trans	-62.9	-43.3	175.9	-122.4	-85.5	0	0	0	112	I12 L13 R19 K20	I12-F16 PolarHBondContact O-N 3.48Å; L13-F16 WeakPolarHBondContact O-CB 3.32Å; L13-F16 PolarHBondContact O-N 2.96Å; F16-R19 PolarHBondContact O-N 3.44Å; F16-K20 WeakPolarHBondContact O-CB 3.42Å; F16-K20 PolarHBondContact O-N 3.04Å
17	E	81.2	Confident	79.9	Confident	107 Å²	107	98.2 Å²	98.2	50%	0.5	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-44.5	175.2	-73.2	-179.3	179.2	0	0	111.7	L13 A14 R19 K20 R21	L13-E17 WeakPolarHBondContact O-CG 3.46Å; L13-E17 PolarHBondContact O-N 2.91Å; A14-E17 PolarHBondContact O-N 3.2Å; E17-R19 PolarHBondContact O-N 3.37Å; E17-K20 WeakPolarHBondContact O-CB 3.48Å; E17-K20 PolarHBondContact O-N 3.42Å; E17-K20 VanDerWaalsContact O-N 3.13Å; E17-R21 WeakPolarHBondContact O-CG 3.43Å; E17-R21 PolarHBondContact O-N 3.09Å
18	R	76.8	Confident	80.2	Confident	122 Å²	122	95 Å²	95	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-57.6	-48	175.1	-73.4	172.9	-177.1	175.3	1.4	112.2	A14 E15 K20 R21 A22	A14-R18 VanDerWaalsContact O-CG 3.28Å; A14-R18 WeakPolarHBondContact O-CG 3.31Å; A14-R18 PolarHBondContact O-N 2.87Å; E15-R18 PolarHBondContact O-N 3.3Å; R18-K20 VanDerWaalsContact C-N 3.27Å; R18-K20 PolarHBondContact O-N 2.89Å; R18-R21 PolarHBondContact O-N 2.9Å; R18-A22 WeakPolarHBondContact O-CB 3.47Å; R18-A22 PolarHBondContact O-N 2.84Å
19	R	79	Confident	80.4	Confident	144 Å²	144	94.4 Å²	94.4	54%	0.543	45%	0.452	S	S	.	.	H	α-helix	trans	-66.1	-28.7	177.4	-70.4	-179.3	-175.8	-167	2.5	112.7	E15 F16 E17 R23	E15-R19 WeakPolarHBondContact O-CG 3.28Å; E15-R19 PolarHBondContact O-N 3.23Å; E15-R19 IonicContact OE1-CZ 3.69Å; E15-R19 VanDerWaalsContact OE1-CZ 3.3Å; E15-R19 IonicContact OE1-NE 2.61Å; E15-R19 PolarHBondContact OE1-NE 3.16Å; E15-R19 IonicContact OE1-NH2 2.64Å; E15-R19 PolarHBondContact OE1-NH2 3.15Å; F16-R19 PolarHBondContact O-N 3.44Å; E17-R19 PolarHBondContact O-N 3.37Å; R19-R23 WeakPolarHBondContact O-CG 2.94Å; R19-R23 PolarHBondContact O-NE 2.81Å
20	K	82.5	Confident	80.7	Confident	126 Å²	126	90.6 Å²	90.6	55%	0.548	45%	0.445	S	S	.	.	H	α-helix	trans	-73	-45.8	174.3	-170	179.4	177.7	-173.2	0	110.6	F16 E17 R18 R23 H24	F16-K20 WeakPolarHBondContact O-CB 3.42Å; F16-K20 PolarHBondContact O-N 3.04Å; E17-K20 WeakPolarHBondContact O-CB 3.48Å; E17-K20 PolarHBondContact O-N 3.42Å; E17-K20 VanDerWaalsContact O-N 3.13Å; R18-K20 VanDerWaalsContact C-N 3.27Å; R18-K20 PolarHBondContact O-N 2.89Å; K20-R23 PolarHBondContact O-N 3.09Å; K20-H24 PolarHBondContact O-CD2 2.94Å; K20-H24 VanDerWaalsContact O-CD2 3.23Å; K20-H24 PolarHBondContact O-N 2.92Å
21	R	77	Confident	81.1	Confident	81 Å²	81	88.7 Å²	88.7	31%	0.306	44%	0.435	S	S	.	.	H	α-helix	trans	-56.3	-52.1	173.5	-72.2	-178.7	-175.4	141.3	11.8	111.4	E17 R18 R23 H24 M25 E68	E17-R21 WeakPolarHBondContact O-CG 3.43Å; E17-R21 PolarHBondContact O-N 3.09Å; R18-R21 PolarHBondContact O-N 2.9Å; R21-R23 PolarHBondContact O-N 3.11Å; R21-H24 PolarHBondContact O-N 3.07Å; R21-M25 WeakPolarHBondContact O-CG 3.39Å; R21-M25 PolarHBondContact O-N 2.83Å; R21-E68 WeakPolarHBondContact CD-OE1 3.36Å; R21-E68 IonicContact CZ-OE1 3.84Å; R21-E68 IonicContact NE-OE1 3.5Å; R21-E68 PolarHBondContact NE-OE1 2.68Å; R21-E68 IonicContact NH2-OE1 3.23Å
22	A	77.6	Confident	81.4	Confident	14 Å²	14	94.1 Å²	94.1	12%	0.116	44%	0.444	C	S	.	.	H	α-helix	trans	-51.7	-35.2	179.4	0	0	0	0	0	113.6	R18 R60	R18-A22 WeakPolarHBondContact O-CB 3.47Å; R18-A22 PolarHBondContact O-N 2.84Å; A22-R60 HydrophobicContact CB-CG 4.09Å; A22-R60 WeakPolarHBondContact O-CD 3.23Å; A22-R60 WeakPolarHBondContact O-CG 3.31Å
23	R	78	Confident	81.6	Confident	181 Å²	181	91.9 Å²	91.9	68%	0.683	43%	0.431	S	S	*	.	H	α-helix	trans	-78.5	-32.8	179.3	-75.9	-177.5	-83.8	-177.4	-4.2	113.9	R19 K20 R21	R19-R23 WeakPolarHBondContact O-CG 2.94Å; R19-R23 PolarHBondContact O-NE 2.81Å; K20-R23 PolarHBondContact O-N 3.09Å; R21-R23 PolarHBondContact O-N 3.11Å
24	H	76.3	Confident	81.9	Confident	140 Å²	140	88 Å²	88	65%	0.648	41%	0.411	S	S	*	.	H	α-helix	trans	-82.5	-18	178.1	-72.3	-63.3	0	0	0	113.1	K20 R21 T26	K20-H24 PolarHBondContact O-CD2 2.94Å; K20-H24 VanDerWaalsContact O-CD2 3.23Å; K20-H24 PolarHBondContact O-N 2.92Å; R21-H24 PolarHBondContact O-N 3.07Å; H24-T26 PolarHBondContact O-N 3.25Å
25	M	75.1	Confident	82.2	Confident	31 Å²	31	89 Å²	89	15%	0.153	41%	0.409	C	S	.	.			trans	-70.3	112.3	179.2	-71.9	-164.8	76.8	0	0	112.6	R21 L27 L63 A71 L75	R21-M25 WeakPolarHBondContact O-CG 3.39Å; R21-M25 PolarHBondContact O-N 2.83Å; M25-L27 PolarHBondContact O-N 2.8Å; M25-L63 HydrophobicContact CE-CB 3.67Å; M25-L63 HydrophobicContact CE-CD1 3.91Å; M25-L63 HydrophobicContact CE-CG 4.32Å; M25-L63 HydrophobicContact SD-CB 3.79Å; M25-A71 HydrophobicContact CE-CB 4Å; M25-L75 HydrophobicContact CE-CD1 3.47Å; M25-L75 VanDerWaalsContact CE-CD1 3.47Å
26	T	80.7	Confident	82.6	Confident	125 Å²	125	85.5 Å²	85.5	77%	0.767	40%	0.395	S	S	*	.			trans	-80.4	101.7	170.5	53.2	0	0	0	0	109.9	H24	H24-T26 PolarHBondContact O-N 3.25Å
27	L	80.1	Confident	82.9	Confident	9 Å²	9	79.1 Å²	79.1	5%	0.047	37%	0.367	C	S	.	.			trans	-90.1	148.4	174.7	-63.1	176.8	0	0	0	111.4	M25 R56 L59 R60 L63 L75	M25-L27 PolarHBondContact O-N 2.8Å; L27-R56 HydrophobicContact CB-CG 4.28Å; L27-R56 HydrophobicContact CD1-CG 4.02Å; L27-R56 WeakPolarHBondContact CD1-O 3.35Å; L27-R56 PolarHBondContact O-NH2 2.9Å; L27-L59 HydrophobicContact CD1-CG 4.48Å; L27-L59 HydrophobicContact CD2-CD2 4.29Å; L27-L59 HydrophobicContact CD2-CG 4.37Å; L27-R60 HydrophobicContact CD1-CB 3.53Å; L27-R60 HydrophobicContact CD1-CG 4.14Å; L27-L63 HydrophobicContact CD2-CD1 3.49Å; L27-L63 VanDerWaalsContact CD2-CD1 3.49Å; L27-L75 HydrophobicContact CD2-CD2 4.18Å
28	P	82.8	Confident	83.3	Confident	30 Å²	30	74 Å²	74	20%	0.195	34%	0.343	C	S	.	.			trans	-51.3	145	169.4	-27.1	35.4	0	0	0	113	E33 L37 R56	P28-E33 HydrophobicContact CB-CB 3.97Å; P28-E33 VanDerWaalsContact CB-OE2 3.27Å; P28-E33 WeakPolarHBondContact CB-OE2 3.25Å; P28-E33 HydrophobicContact CG-CB 4.3Å; P28-L37 HydrophobicContact CG-CD1 4.21Å; P28-R56 PolarHBondContact O-NE 3.01Å; P28-R56 VanDerWaalsContact O-NE 3.11Å
29	T	84.5	Confident	83.9	Confident	111 Å²	111	75.4 Å²	75.4	68%	0.681	35%	0.348	S	S	*	.	S	Bend	trans	-82.6	-20.1	172.1	44.5	0	0	0	0	112.4	D31	T29-D31 PolarHBondContact O-N 3.27Å
30	D	87.5	Confident	84.2	Confident	96 Å²	96	73.9 Å²	73.9	51%	0.513	35%	0.347	S	S	.	.			trans	-80.8	121.4	-173	-69.4	-3.2	0	0	0	111.1	Y32 E33 V34	D30-Y32 PolarHBondContact O-N 3.39Å; D30-E33 HydrophobicContact CB-CB 4.4Å; D30-E33 HydrophobicContact CB-CG 3.99Å; D30-E33 PolarHBondContact O-N 3.29Å; D30-E33 VanDerWaalsContact O-N 3.09Å; D30-V34 WeakPolarHBondContact O-CG2 3.5Å; D30-V34 PolarHBondContact O-N 3.03Å; D30-V34 VanDerWaalsContact O-N 3.09Å
31	D	88.8	Confident	84.4	Confident	34 Å²	34	69.3 Å²	69.3	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-33.8	-177.6	-178	48.7	0	0	0	112.6	T29 E33 V34 K35 K52 R55	T29-D31 PolarHBondContact O-N 3.27Å; D31-E33 VanDerWaalsContact C-N 3.35Å; D31-V34 PolarHBondContact O-N 3.19Å; D31-K35 WeakPolarHBondContact O-CB 3.26Å; D31-K35 WeakPolarHBondContact O-CG 3.4Å; D31-K35 PolarHBondContact O-N 3.03Å; D31-K35 IonicContact OD1-NZ 2.77Å; D31-K35 WeakPolarHBondContact OD2-CE 3.49Å; D31-K35 IonicContact OD2-NZ 3.84Å; D31-K35 PolarHBondContact OD2-NZ 3.34Å; D31-K52 HydrophobicContact CB-CD 4.32Å; D31-K52 HydrophobicContact CB-CG 4.45Å; D31-R55 IonicContact OD1-CZ 3.93Å; D31-R55 IonicContact OD1-NE 2.81Å; D31-R55 IonicContact OD1-NH1 2.91Å; D31-R55 PolarHBondContact OD1-NH1 3.41Å; D31-R55 IonicContact OD2-NH1 3.69Å
32	Y	88.9	Confident	84.9	Confident	172 Å²	172	68.9 Å²	68.9	68%	0.675	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-41.5	176.6	-176.9	-99.9	0	0	0	111.8	D30 K35 A36	D30-Y32 PolarHBondContact O-N 3.39Å; Y32-K35 PolarHBondContact O-N 3.41Å; Y32-A36 WeakPolarHBondContact O-CB 3.38Å; Y32-A36 PolarHBondContact O-N 3.4Å
33	E	88.2	Confident	85.4	Confident	57 Å²	57	71.8 Å²	71.8	27%	0.266	36%	0.36	S	S	.	.	H	α-helix	trans	-70	-42.8	178.6	-58.5	-158.6	134.8	0	0	111.5	P28 D30 D31 K35 A36 L37 R77	P28-E33 HydrophobicContact CB-CB 3.97Å; P28-E33 VanDerWaalsContact CB-OE2 3.27Å; P28-E33 WeakPolarHBondContact CB-OE2 3.25Å; P28-E33 HydrophobicContact CG-CB 4.3Å; D30-E33 HydrophobicContact CB-CB 4.4Å; D30-E33 HydrophobicContact CB-CG 3.99Å; D30-E33 PolarHBondContact O-N 3.29Å; D30-E33 VanDerWaalsContact O-N 3.09Å; D31-E33 VanDerWaalsContact C-N 3.35Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 2.94Å; E33-A36 PolarHBondContact O-N 3.48Å; E33-A36 VanDerWaalsContact O-N 3.14Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 2.95Å; E33-L37 PolarHBondContact O-N 3.29Å; E33-R77 IonicContact OE1-CZ 3.27Å; E33-R77 IonicContact OE1-NH1 3.62Å; E33-R77 PolarHBondContact OE1-NH1 3.07Å
34	V	89.4	Confident	86	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.018	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-44.1	174.3	175.5	0	0	0	0	110.7	D30 D31 L37 L38 R55 R56 L59	D30-V34 WeakPolarHBondContact O-CG2 3.5Å; D30-V34 PolarHBondContact O-N 3.03Å; D30-V34 VanDerWaalsContact O-N 3.09Å; D31-V34 PolarHBondContact O-N 3.19Å; V34-L37 PolarHBondContact O-N 2.99Å; V34-L38 HydrophobicContact CG1-CD1 4.2Å; V34-L38 WeakPolarHBondContact O-CB 3.41Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.44Å; V34-R55 HydrophobicContact CG1-CG 3.78Å; V34-R56 HydrophobicContact CG2-CG 4.45Å; V34-L59 HydrophobicContact CB-CD2 4.25Å; V34-L59 HydrophobicContact CG1-CB 4.21Å; V34-L59 HydrophobicContact CG1-CD2 3.84Å; V34-L59 HydrophobicContact CG2-CD2 4.25Å
35	K	90.3	Very high	86.7	Confident	59 Å²	59	62.4 Å²	62.4	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-39.7	175.6	-75.1	172.8	172.3	164.9	0	112.7	D31 Y32 E33 R39 I45	D31-K35 WeakPolarHBondContact O-CB 3.26Å; D31-K35 WeakPolarHBondContact O-CG 3.4Å; D31-K35 PolarHBondContact O-N 3.03Å; D31-K35 IonicContact OD1-NZ 2.77Å; D31-K35 WeakPolarHBondContact OD2-CE 3.49Å; D31-K35 IonicContact OD2-NZ 3.84Å; D31-K35 PolarHBondContact OD2-NZ 3.34Å; Y32-K35 PolarHBondContact O-N 3.41Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 2.94Å; K35-R39 WeakPolarHBondContact O-CB 3.22Å; K35-R39 PolarHBondContact O-N 2.91Å; K35-I45 HydrophobicContact CB-CG2 3.68Å; K35-I45 HydrophobicContact CD-CG2 4.06Å; K35-I45 HydrophobicContact CG-CG2 3.56Å
36	A	88.4	Confident	87.4	Confident	15 Å²	15	64 Å²	64	12%	0.124	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-42.9	176.6	0	0	0	0	0	111.6	Y32 E33 R39 Q40	Y32-A36 WeakPolarHBondContact O-CB 3.38Å; Y32-A36 PolarHBondContact O-N 3.4Å; E33-A36 PolarHBondContact O-N 3.48Å; E33-A36 VanDerWaalsContact O-N 3.14Å; A36-R39 WeakPolarHBondContact O-CB 3.09Å; A36-R39 PolarHBondContact O-N 2.72Å; A36-Q40 WeakPolarHBondContact O-CG 3.5Å; A36-Q40 PolarHBondContact O-N 2.87Å
37	L	87.8	Confident	87.9	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-43.2	176.7	-67.7	168.4	0	0	0	111.4	P28 E33 V34 R39 Q40 L41 L59 I74 L75	P28-L37 HydrophobicContact CG-CD1 4.21Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 2.95Å; E33-L37 PolarHBondContact O-N 3.29Å; V34-L37 PolarHBondContact O-N 2.99Å; L37-R39 VanDerWaalsContact C-N 3.29Å; L37-R39 PolarHBondContact O-N 2.84Å; L37-Q40 PolarHBondContact O-N 3.15Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 3Å; L37-L59 HydrophobicContact CB-CD1 4.08Å; L37-L59 HydrophobicContact CB-CD2 3.99Å; L37-L59 HydrophobicContact CD1-CD2 3.81Å; L37-I74 HydrophobicContact CD2-CG2 3.7Å; L37-I74 WeakPolarHBondContact CD2-O 3.4Å; L37-L75 HydrophobicContact CD1-CD2 4.29Å
38	L	89.7	Confident	88.3	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-38.6	174.2	-74.4	171	0	0	0	112.2	V34 L41 G42 H43 R55 L59 L62	V34-L38 HydrophobicContact CG1-CD1 4.2Å; V34-L38 WeakPolarHBondContact O-CB 3.41Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.44Å; L38-L41 PolarHBondContact O-N 3.25Å; L38-G42 PolarHBondContact O-N 3.06Å; L38-H43 HydrophobicContact CD2-CB 4.24Å; L38-H43 PolarHBondContact O-N 3.12Å; L38-R55 HydrophobicContact CD1-CG 3.43Å; L38-R55 VanDerWaalsContact CD1-CG 3.43Å; L38-L59 HydrophobicContact CD2-CB 4.2Å; L38-L59 HydrophobicContact CD2-CD1 3.96Å; L38-L59 HydrophobicContact CG-CB 4.45Å; L38-L59 HydrophobicContact CG-CD1 4.21Å; L38-L62 HydrophobicContact CD2-CD1 3.63Å
39	R	88.7	Confident	88.7	Confident	150 Å²	150	74.2 Å²	74.2	57%	0.566	40%	0.399	S	S	*	.	H	α-helix	trans	-64.7	-43.7	174.4	-175.4	-175.5	-68.6	140.7	-3.7	111.7	K35 A36 L37 L41 G42 I45	K35-R39 WeakPolarHBondContact O-CB 3.22Å; K35-R39 PolarHBondContact O-N 2.91Å; A36-R39 WeakPolarHBondContact O-CB 3.09Å; A36-R39 PolarHBondContact O-N 2.72Å; L37-R39 VanDerWaalsContact C-N 3.29Å; L37-R39 PolarHBondContact O-N 2.84Å; R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 PolarHBondContact O-N 3.23Å; R39-G42 PolarHBondContact O-N 3.31Å; R39-I45 HydrophobicContact CB-CD1 4.42Å; R39-I45 HydrophobicContact CB-CG1 4.27Å
40	Q	86.4	Confident	89	Confident	112 Å²	112	70.1 Å²	70.1	52%	0.523	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-35.6	176.5	-75.6	176.6	-17.7	0	0	112	A36 L37 G42	A36-Q40 WeakPolarHBondContact O-CG 3.5Å; A36-Q40 PolarHBondContact O-N 2.87Å; L37-Q40 PolarHBondContact O-N 3.15Å; Q40-G42 PolarHBondContact O-N 2.8Å
41	L	86.3	Confident	89.2	Confident	31 Å²	31	70.9 Å²	70.9	16%	0.162	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.4	174.6	-68.1	170.9	0	0	0	114.1	L37 L38 R39 H43 L59 L63 M66 I74	L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 3Å; L38-L41 PolarHBondContact O-N 3.25Å; R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 PolarHBondContact O-N 3.23Å; L41-H43 PolarHBondContact O-N 2.89Å; L41-L59 HydrophobicContact CD1-CD1 3.62Å; L41-L63 HydrophobicContact CD1-CD2 4.33Å; L41-M66 HydrophobicContact CD2-CE 3.94Å; L41-M66 HydrophobicContact CD2-SD 3.45Å; L41-M66 WeakPolarHBondContact CD2-SD 3.18Å; L41-I74 HydrophobicContact CD2-CD1 3.59Å
42	G	87.3	Confident	89.4	Confident	71 Å²	71	76 Å²	76	73%	0.732	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	12.8	-174.4	0	0	0	0	0	114.4	L38 R39 Q40	L38-G42 PolarHBondContact O-N 3.06Å; R39-G42 PolarHBondContact O-N 3.31Å; Q40-G42 PolarHBondContact O-N 2.8Å
43	H	89.1	Confident	89.5	Confident	76 Å²	76	72 Å²	72	35%	0.352	39%	0.392	S	S	.	.	S	Bend	trans	-88.8	154.7	177.1	-75.7	-61.1	0	0	0	111.6	L38 L41 I45 L62	L38-H43 HydrophobicContact CD2-CB 4.24Å; L38-H43 PolarHBondContact O-N 3.12Å; L41-H43 PolarHBondContact O-N 2.89Å; H43-I45 PolarHBondContact O-N 3.02Å; H43-L62 HydrophobicContact CB-CD1 4.08Å; H43-L62 VanDerWaalsContact CD2-CD1 3.42Å; H43-L62 WeakPolarHBondContact CD2-CD1 3.31Å; H43-L62 WeakPolarHBondContact NE2-CD2 3.37Å
44	P	90.1	Very high	89.6	Confident	68 Å²	68	73.2 Å²	73.2	44%	0.442	40%	0.4	S	S	.	.			trans	-58	130.2	178.9	21.6	-32.2	0	0	0	111.2	C46 L47 R58	P44-C46 VanDerWaalsContact C-N 3.34Å; P44-C46 PolarHBondContact O-N 2.94Å; P44-L47 HydrophobicContact CB-CD2 4.37Å; P44-L47 HydrophobicContact CG-CD2 3.96Å; P44-L47 HydrophobicContact CG-CG 4.5Å; P44-R58 VanDerWaalsContact O-CZ 3.23Å; P44-R58 PolarHBondContact O-NH1 3.44Å; P44-R58 PolarHBondContact O-NH2 3.16Å
45	I	90.4	Very high	89.7	Confident	56 Å²	56	73.7 Å²	73.7	29%	0.287	40%	0.402	S	S	.	.	S	Bend	trans	-63.9	-40.5	-174.3	-60.7	168.4	0	0	0	111.3	K35 R39 H43 R55 R58	K35-I45 HydrophobicContact CB-CG2 3.68Å; K35-I45 HydrophobicContact CD-CG2 4.06Å; K35-I45 HydrophobicContact CG-CG2 3.56Å; R39-I45 HydrophobicContact CB-CD1 4.42Å; R39-I45 HydrophobicContact CB-CG1 4.27Å; H43-I45 PolarHBondContact O-N 3.02Å; I45-R55 WeakPolarHBondContact O-CD 3.48Å; I45-R55 PolarHBondContact O-NE 2.94Å; I45-R55 VanDerWaalsContact O-NE 3.13Å; I45-R58 PolarHBondContact O-NH2 2.87Å
46	C	89.9	Confident	89.6	Confident	64 Å²	64	74.5 Å²	74.5	43%	0.432	40%	0.403	S	S	.	.			trans	-137.6	134.4	175.5	-60.7	0	0	0	0	109	P44 R55	P44-C46 VanDerWaalsContact C-N 3.34Å; P44-C46 PolarHBondContact O-N 2.94Å; C46-R55 PolarHBondContact SG-NH2 2.88Å; C46-R55 VanDerWaalsContact SG-NH2 3.41Å
47	L	91	Very high	89.7	Confident	87 Å²	87	77 Å²	77	46%	0.455	41%	0.412	S	S	.	.			trans	-88.8	155	163.9	-67.3	167.8	0	0	0	110.1	P44 G49 E50	P44-L47 HydrophobicContact CB-CD2 4.37Å; P44-L47 HydrophobicContact CG-CD2 3.96Å; P44-L47 HydrophobicContact CG-CG 4.5Å; L47-G49 PolarHBondContact O-N 3.04Å; L47-E50 HydrophobicContact CB-CB 4Å; L47-E50 PolarHBondContact N-OE2 3.28Å; L47-E50 WeakPolarHBondContact O-CB 3.32Å; L47-E50 PolarHBondContact O-N 3.35Å
48	F	89.5	Confident	89.7	Confident	222 Å²	222	78.3 Å²	78.3	97%	0.974	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	125	177.8	-177.8	-96.6	0	0	0	110.1	E50	F48-E50 VanDerWaalsContact C-N 3.33Å
49	G	90	Very high	89.7	Confident	69 Å²	69	78.3 Å²	78.3	71%	0.711	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	7.5	-177.9	0	0	0	0	0	115.6	L47	L47-G49 PolarHBondContact O-N 3.04Å
50	E	92	Very high	89.7	Confident	26 Å²	26	73.7 Å²	73.7	12%	0.121	40%	0.399	C	S	.	.			trans	-84.8	115.5	-178.9	-172.4	-177.1	-143.3	0	0	112	L47 F48 D54 R55 R58	L47-E50 HydrophobicContact CB-CB 4Å; L47-E50 PolarHBondContact N-OE2 3.28Å; L47-E50 WeakPolarHBondContact O-CB 3.32Å; L47-E50 PolarHBondContact O-N 3.35Å; F48-E50 VanDerWaalsContact C-N 3.33Å; E50-D54 HydrophobicContact CG-CB 3.61Å; E50-R55 HydrophobicContact CG-CB 4.14Å; E50-R55 PolarHBondContact O-NH2 2.91Å; E50-R55 WeakPolarHBondContact OE1-CA 3.32Å; E50-R55 PolarHBondContact OE1-N 2.89Å; E50-R58 IonicContact OE1-CZ 2.82Å; E50-R58 IonicContact OE1-NE 3.97Å; E50-R58 PolarHBondContact OE1-NE 3.23Å; E50-R58 IonicContact OE1-NH2 3.91Å; E50-R58 IonicContact OE2-CZ 2.82Å; E50-R58 IonicContact OE2-NE 3.02Å; E50-R58 PolarHBondContact OE2-NE 3.41Å; E50-R58 IonicContact OE2-NH2 3.17Å; E50-R58 PolarHBondContact OE2-NH2 3.24Å
51	D	91.1	Very high	89.7	Confident	111 Å²	111	74.2 Å²	74.2	59%	0.594	40%	0.4	S	S	*	.			trans	-73.4	164.7	173.7	-78.1	-30.6	0	0	0	111.8	P53 D54 R55	D51-P53 HydrophobicContact CB-CG 4.14Å; D51-D54 PolarHBondContact O-N 3.09Å; D51-D54 VanDerWaalsContact O-N 3.11Å; D51-R55 PolarHBondContact O-N 3.13Å
52	K	92.4	Very high	89.7	Confident	143 Å²	143	73.9 Å²	73.9	62%	0.622	40%	0.398	S	S	*	.	H	α-helix	trans	-50.9	-46.9	176.9	-63.2	179.2	-178.9	177.8	0	114	D31 R55 R56	D31-K52 HydrophobicContact CB-CD 4.32Å; D31-K52 HydrophobicContact CB-CG 4.45Å; K52-R55 PolarHBondContact O-N 3.02Å; K52-R56 PolarHBondContact O-N 3.42Å
53	P	90.9	Very high	89.5	Confident	86 Å²	86	70.6 Å²	70.6	56%	0.558	36%	0.364	S	S	*	.	H	α-helix	trans	-62.5	-39.5	175.2	23.5	-35.9	0	0	0	113.2	D51 R55 R56 E57	D51-P53 HydrophobicContact CB-CG 4.14Å; P53-R55 PolarHBondContact O-N 3.47Å; P53-R56 WeakPolarHBondContact O-CB 3.46Å; P53-R56 PolarHBondContact O-N 3.18Å; P53-E57 WeakPolarHBondContact O-CB 2.9Å; P53-E57 PolarHBondContact O-N 2.97Å
54	D	91.3	Very high	89.3	Confident	84 Å²	84	67.5 Å²	67.5	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-65.5	-40.6	-179.8	-64.2	-23.5	0	0	0	111.2	E50 D51 R56 E57 R58	E50-D54 HydrophobicContact CG-CB 3.61Å; D51-D54 PolarHBondContact O-N 3.09Å; D51-D54 VanDerWaalsContact O-N 3.11Å; D54-R56 VanDerWaalsContact C-N 3.32Å; D54-R56 PolarHBondContact O-N 2.89Å; D54-E57 CarbonylContact O-C 3.54Å; D54-E57 PolarHBondContact O-N 3.36Å; D54-R58 WeakPolarHBondContact O-CB 3.49Å; D54-R58 PolarHBondContact O-N 3.4Å
55	R	90.6	Very high	88.9	Confident	13 Å²	13	70 Å²	70	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-41.9	173.3	-171.4	-174.4	-64.8	95.9	26.1	112.3	D31 V34 L38 I45 C46 E50 D51 K52 P53 R58 L59	D31-R55 IonicContact OD1-CZ 3.93Å; D31-R55 IonicContact OD1-NE 2.81Å; D31-R55 IonicContact OD1-NH1 2.91Å; D31-R55 PolarHBondContact OD1-NH1 3.41Å; D31-R55 IonicContact OD2-NH1 3.69Å; V34-R55 HydrophobicContact CG1-CG 3.78Å; L38-R55 HydrophobicContact CD1-CG 3.43Å; L38-R55 VanDerWaalsContact CD1-CG 3.43Å; I45-R55 WeakPolarHBondContact O-CD 3.48Å; I45-R55 PolarHBondContact O-NE 2.94Å; I45-R55 VanDerWaalsContact O-NE 3.13Å; C46-R55 PolarHBondContact SG-NH2 2.88Å; C46-R55 VanDerWaalsContact SG-NH2 3.41Å; E50-R55 HydrophobicContact CG-CB 4.14Å; E50-R55 PolarHBondContact O-NH2 2.91Å; E50-R55 WeakPolarHBondContact OE1-CA 3.32Å; E50-R55 PolarHBondContact OE1-N 2.89Å; D51-R55 PolarHBondContact O-N 3.13Å; K52-R55 PolarHBondContact O-N 3.02Å; P53-R55 PolarHBondContact O-N 3.47Å; R55-R58 PolarHBondContact O-N 2.86Å; R55-L59 PolarHBondContact O-N 3.12Å
56	R	89.6	Confident	88.3	Confident	75 Å²	75	69.7 Å²	69.7	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-39.6	176.7	-172.5	178.9	179.1	-154.3	-0.2	111.4	L27 P28 V34 K52 P53 D54 R58 L59 R60	L27-R56 HydrophobicContact CB-CG 4.28Å; L27-R56 HydrophobicContact CD1-CG 4.02Å; L27-R56 WeakPolarHBondContact CD1-O 3.35Å; L27-R56 PolarHBondContact O-NH2 2.9Å; P28-R56 PolarHBondContact O-NE 3.01Å; P28-R56 VanDerWaalsContact O-NE 3.11Å; V34-R56 HydrophobicContact CG2-CG 4.45Å; K52-R56 PolarHBondContact O-N 3.42Å; P53-R56 WeakPolarHBondContact O-CB 3.46Å; P53-R56 PolarHBondContact O-N 3.18Å; D54-R56 VanDerWaalsContact C-N 3.32Å; D54-R56 PolarHBondContact O-N 2.89Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R56-L59 PolarHBondContact O-N 3.22Å; R56-R60 WeakPolarHBondContact O-CB 3.47Å; R56-R60 PolarHBondContact O-N 3.24Å
57	E	88.6	Confident	87.5	Confident	68 Å²	68	73 Å²	73	32%	0.318	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-37.3	174.5	-176.9	58.2	-152.4	0	0	111.6	P53 D54 R60 K61	P53-E57 WeakPolarHBondContact O-CB 2.9Å; P53-E57 PolarHBondContact O-N 2.97Å; D54-E57 CarbonylContact O-C 3.54Å; D54-E57 PolarHBondContact O-N 3.36Å; E57-R60 VanDerWaalsContact O-CB 3.31Å; E57-R60 WeakPolarHBondContact O-CB 3.13Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 IonicContact OE2-CZ 3.68Å; E57-R60 IonicContact OE2-NH1 2.97Å; E57-R60 PolarHBondContact OE2-NH1 3.48Å; E57-K61 WeakPolarHBondContact O-CG 3.21Å; E57-K61 PolarHBondContact O-N 3.49Å; E57-K61 WeakPolarHBondContact OE1-CE 3.27Å
58	R	89.6	Confident	86.4	Confident	32 Å²	32	73.8 Å²	73.8	12%	0.121	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-47.4	172.3	179.9	167.7	58.4	102.2	-6.5	111.4	P44 I45 E50 D54 R55 R56 R60 K61 L62	P44-R58 VanDerWaalsContact O-CZ 3.23Å; P44-R58 PolarHBondContact O-NH1 3.44Å; P44-R58 PolarHBondContact O-NH2 3.16Å; I45-R58 PolarHBondContact O-NH2 2.87Å; E50-R58 IonicContact OE1-CZ 2.82Å; E50-R58 IonicContact OE1-NE 3.97Å; E50-R58 PolarHBondContact OE1-NE 3.23Å; E50-R58 IonicContact OE1-NH2 3.91Å; E50-R58 IonicContact OE2-CZ 2.82Å; E50-R58 IonicContact OE2-NE 3.02Å; E50-R58 PolarHBondContact OE2-NE 3.41Å; E50-R58 IonicContact OE2-NH2 3.17Å; E50-R58 PolarHBondContact OE2-NH2 3.24Å; D54-R58 WeakPolarHBondContact O-CB 3.49Å; D54-R58 PolarHBondContact O-N 3.4Å; R55-R58 PolarHBondContact O-N 2.86Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R58-R60 PolarHBondContact O-N 3.04Å; R58-K61 PolarHBondContact O-N 3.44Å; R58-K61 VanDerWaalsContact O-N 3.15Å; R58-L62 HydrophobicContact CG-CD1 3.97Å; R58-L62 HydrophobicContact CG-CG 4.35Å; R58-L62 WeakPolarHBondContact O-CB 3.41Å; R58-L62 VanDerWaalsContact O-CG 3.26Å; R58-L62 WeakPolarHBondContact O-CG 3.14Å; R58-L62 PolarHBondContact O-N 3.12Å
59	L	88.2	Confident	85.3	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-39.8	174.2	-179.8	63.7	0	0	0	111.2	L27 V34 L37 L38 L41 R55 R56 L62 L63	L27-L59 HydrophobicContact CD1-CG 4.48Å; L27-L59 HydrophobicContact CD2-CD2 4.29Å; L27-L59 HydrophobicContact CD2-CG 4.37Å; V34-L59 HydrophobicContact CB-CD2 4.25Å; V34-L59 HydrophobicContact CG1-CB 4.21Å; V34-L59 HydrophobicContact CG1-CD2 3.84Å; V34-L59 HydrophobicContact CG2-CD2 4.25Å; L37-L59 HydrophobicContact CB-CD1 4.08Å; L37-L59 HydrophobicContact CB-CD2 3.99Å; L37-L59 HydrophobicContact CD1-CD2 3.81Å; L38-L59 HydrophobicContact CD2-CB 4.2Å; L38-L59 HydrophobicContact CD2-CD1 3.96Å; L38-L59 HydrophobicContact CG-CB 4.45Å; L38-L59 HydrophobicContact CG-CD1 4.21Å; L41-L59 HydrophobicContact CD1-CD1 3.62Å; R55-L59 PolarHBondContact O-N 3.12Å; R56-L59 PolarHBondContact O-N 3.22Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-L63 HydrophobicContact CD1-CD1 3.83Å; L59-L63 HydrophobicContact CD1-CG 4.04Å; L59-L63 HydrophobicContact CD2-CD1 4.45Å; L59-L63 HydrophobicContact CG-CD1 3.8Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 3.04Å
60	R	88.4	Confident	84.5	Confident	53 Å²	53	70.1 Å²	70.1	20%	0.2	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-47.1	174.3	-168.4	178.3	-77.3	127.2	0.6	112.3	A22 L27 R56 E57 R58 S64	A22-R60 HydrophobicContact CB-CG 4.09Å; A22-R60 WeakPolarHBondContact O-CD 3.23Å; A22-R60 WeakPolarHBondContact O-CG 3.31Å; L27-R60 HydrophobicContact CD1-CB 3.53Å; L27-R60 HydrophobicContact CD1-CG 4.14Å; R56-R60 WeakPolarHBondContact O-CB 3.47Å; R56-R60 PolarHBondContact O-N 3.24Å; E57-R60 VanDerWaalsContact O-CB 3.31Å; E57-R60 WeakPolarHBondContact O-CB 3.13Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 IonicContact OE2-CZ 3.68Å; E57-R60 IonicContact OE2-NH1 2.97Å; E57-R60 PolarHBondContact OE2-NH1 3.48Å; R58-R60 PolarHBondContact O-N 3.04Å; R60-S64 WeakPolarHBondContact O-CB 3.47Å; R60-S64 PolarHBondContact O-N 3.4Å; R60-S64 PolarHBondContact O-OG 3.48Å
61	K	86.7	Confident	83.5	Confident	124 Å²	124	69 Å²	69	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-44.4	177.4	-74.3	174.5	-177.8	174.1	0	111	E57 R58 S64 M65	E57-K61 WeakPolarHBondContact O-CG 3.21Å; E57-K61 PolarHBondContact O-N 3.49Å; E57-K61 WeakPolarHBondContact OE1-CE 3.27Å; R58-K61 PolarHBondContact O-N 3.44Å; R58-K61 VanDerWaalsContact O-N 3.15Å; K61-S64 PolarHBondContact O-N 3.33Å; K61-S64 PolarHBondContact O-OG 2.86Å; K61-M65 WeakPolarHBondContact O-CG 3.42Å; K61-M65 PolarHBondContact O-N 3.16Å
62	L	86.1	Confident	82.6	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.12	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-51.7	178.9	-69.3	170.6	0	0	0	111.9	L38 H43 R58 L59 S64 M65	L38-L62 HydrophobicContact CD2-CD1 3.63Å; H43-L62 HydrophobicContact CB-CD1 4.08Å; H43-L62 VanDerWaalsContact CD2-CD1 3.42Å; H43-L62 WeakPolarHBondContact CD2-CD1 3.31Å; H43-L62 WeakPolarHBondContact NE2-CD2 3.37Å; R58-L62 HydrophobicContact CG-CD1 3.97Å; R58-L62 HydrophobicContact CG-CG 4.35Å; R58-L62 WeakPolarHBondContact O-CB 3.41Å; R58-L62 VanDerWaalsContact O-CG 3.26Å; R58-L62 WeakPolarHBondContact O-CG 3.14Å; R58-L62 PolarHBondContact O-N 3.12Å; L59-L62 PolarHBondContact O-N 3.32Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 3.02Å; L62-M65 HydrophobicContact CD2-CE 3.75Å; L62-M65 WeakPolarHBondContact O-CB 3.47Å; L62-M65 PolarHBondContact O-N 3.02Å
63	L	84.5	Confident	81.7	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-28.7	179.4	-70.3	169.4	0	0	0	112.9	M25 L27 L41 L59 M65 M66 A71 L75	M25-L63 HydrophobicContact CE-CB 3.67Å; M25-L63 HydrophobicContact CE-CD1 3.91Å; M25-L63 HydrophobicContact CE-CG 4.32Å; M25-L63 HydrophobicContact SD-CB 3.79Å; L27-L63 HydrophobicContact CD2-CD1 3.49Å; L27-L63 VanDerWaalsContact CD2-CD1 3.49Å; L41-L63 HydrophobicContact CD1-CD2 4.33Å; L59-L63 HydrophobicContact CD1-CD1 3.83Å; L59-L63 HydrophobicContact CD1-CG 4.04Å; L59-L63 HydrophobicContact CD2-CD1 4.45Å; L59-L63 HydrophobicContact CG-CD1 3.8Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 3.04Å; L63-M65 PolarHBondContact O-N 3.48Å; L63-M66 HydrophobicContact CD2-SD 4.34Å; L63-M66 PolarHBondContact O-N 3.27Å; L63-A71 HydrophobicContact CD2-CB 4.12Å; L63-L75 HydrophobicContact CD1-CG 4.5Å
64	S	83.4	Confident	81	Confident	12 Å²	12	66.2 Å²	66.2	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-72.9	-15.7	175.5	67.8	0	0	0	0	114.2	R60 K61 L62	R60-S64 WeakPolarHBondContact O-CB 3.47Å; R60-S64 PolarHBondContact O-N 3.4Å; R60-S64 PolarHBondContact O-OG 3.48Å; K61-S64 PolarHBondContact O-N 3.33Å; K61-S64 PolarHBondContact O-OG 2.86Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 3.02Å
65	M	81.7	Confident	80.1	Confident	119 Å²	119	64.5 Å²	64.5	59%	0.586	29%	0.292	S	S	*	.	H	α-helix	trans	-85.4	-20.6	172.3	-66.8	-171.9	-63.3	0	0	113	K61 L62 L63	K61-M65 WeakPolarHBondContact O-CG 3.42Å; K61-M65 PolarHBondContact O-N 3.16Å; L62-M65 HydrophobicContact CD2-CE 3.75Å; L62-M65 WeakPolarHBondContact O-CB 3.47Å; L62-M65 PolarHBondContact O-N 3.02Å; L63-M65 PolarHBondContact O-N 3.48Å
66	M	78.7	Confident	79	Confident	51 Å²	51	73.7 Å²	73.7	25%	0.251	33%	0.327	S	S	.	.	S	Bend	trans	-84.8	164.2	-178.9	-61.6	-178.6	76.1	0	0	112	L41 L63 E70 I74	L41-M66 HydrophobicContact CD2-CE 3.94Å; L41-M66 HydrophobicContact CD2-SD 3.45Å; L41-M66 WeakPolarHBondContact CD2-SD 3.18Å; L63-M66 HydrophobicContact CD2-SD 4.34Å; L63-M66 PolarHBondContact O-N 3.27Å; M66-E70 HydrophobicContact CE-CB 4.16Å; M66-I74 HydrophobicContact CE-CD1 3.65Å; M66-I74 HydrophobicContact SD-CD1 4.13Å
67	E	72.7	Confident	77.6	Confident	132 Å²	132	74.1 Å²	74.1	62%	0.617	33%	0.329	S	S	*	.			trans	-66.7	143.5	172.7	-66.5	-171.1	164.9	0	0	110.7	E69 E70 A71	E67-E69 PolarHBondContact O-N 3.41Å; E67-E70 HydrophobicContact CB-CG 4.34Å; E67-E70 PolarHBondContact O-N 3.17Å; E67-E70 VanDerWaalsContact O-N 3.07Å; E67-A71 PolarHBondContact O-N 2.86Å
68	E	68.6	Low	76	Confident	104 Å²	104	78.9 Å²	78.9	49%	0.486	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-35.7	-173.4	-71.5	-178.8	-174.4	0	0	112.1	R21 A71 H72	R21-E68 WeakPolarHBondContact CD-OE1 3.36Å; R21-E68 IonicContact CZ-OE1 3.84Å; R21-E68 IonicContact NE-OE1 3.5Å; R21-E68 PolarHBondContact NE-OE1 2.68Å; R21-E68 IonicContact NH2-OE1 3.23Å; E68-A71 PolarHBondContact O-N 3.04Å; E68-H72 WeakPolarHBondContact O-CB 3.37Å; E68-H72 PolarHBondContact O-N 2.91Å; E68-H72 PolarHBondContact O-ND1 3.5Å
69	E	66.2	Low	74	Confident	142 Å²	142	84.7 Å²	84.7	66%	0.664	38%	0.379	S	S	*	.	H	α-helix	trans	-67.8	-38.7	178.2	-63.2	-174.2	174.2	0	0	112.5	E67 R73	E67-E69 PolarHBondContact O-N 3.41Å; E69-R73 WeakPolarHBondContact O-CB 3.44Å; E69-R73 VanDerWaalsContact O-CG 3.28Å; E69-R73 WeakPolarHBondContact O-CG 3.27Å; E69-R73 PolarHBondContact O-N 3.28Å; E69-R73 PolarHBondContact O-NE 2.88Å
70	E	72.9	Confident	72.2	Confident	73 Å²	73	89.3 Å²	89.3	34%	0.341	41%	0.409	S	S	.	.	H	α-helix	trans	-67.2	-45.8	174.7	-65.7	-176.6	158.9	0	0	110.5	M66 E67 H72 R73 I74	M66-E70 HydrophobicContact CE-CB 4.16Å; E67-E70 HydrophobicContact CB-CG 4.34Å; E67-E70 PolarHBondContact O-N 3.17Å; E67-E70 VanDerWaalsContact O-N 3.07Å; E70-H72 VanDerWaalsContact C-N 3.31Å; E70-H72 PolarHBondContact O-N 3.39Å; E70-R73 PolarHBondContact O-N 3.12Å; E70-I74 WeakPolarHBondContact O-CB 3.41Å; E70-I74 WeakPolarHBondContact O-CD1 3.01Å; E70-I74 VanDerWaalsContact O-CG1 3.27Å; E70-I74 WeakPolarHBondContact O-CG1 3.29Å; E70-I74 PolarHBondContact O-N 3.44Å
71	A	71.7	Confident	70	Confident	3 Å²	3	98.1 Å²	98.1	3%	0.025	44%	0.442	C	S	.	.	H	α-helix	trans	-59.8	-41.3	177.6	0	0	0	0	0	112	M25 L63 E67 E68 L75	M25-A71 HydrophobicContact CE-CB 4Å; L63-A71 HydrophobicContact CD2-CB 4.12Å; E67-A71 PolarHBondContact O-N 2.86Å; E68-A71 PolarHBondContact O-N 3.04Å; A71-L75 WeakPolarHBondContact O-CB 3.31Å; A71-L75 WeakPolarHBondContact O-CD1 3.2Å; A71-L75 WeakPolarHBondContact O-CG 3.4Å; A71-L75 PolarHBondContact O-N 2.72Å
72	H	72.7	Confident	68	Low	100 Å²	100	96.7 Å²	96.7	46%	0.463	45%	0.454	S	S	.	.	H	α-helix	trans	-70.4	-37.3	175.6	-78.2	85.8	0	0	0	112.8	E68 E70 L75 R76	E68-H72 WeakPolarHBondContact O-CB 3.37Å; E68-H72 PolarHBondContact O-N 2.91Å; E68-H72 PolarHBondContact O-ND1 3.5Å; E70-H72 VanDerWaalsContact C-N 3.31Å; E70-H72 PolarHBondContact O-N 3.39Å; H72-L75 PolarHBondContact O-N 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.23Å; H72-R76 WeakPolarHBondContact O-CG 3.36Å; H72-R76 PolarHBondContact O-N 3.49Å
73	R	73.3	Confident	65.9	Low	146 Å²	146	103.8 Å²	103.8	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-60.5	-45.7	173.6	-82.2	-176.3	-77.4	177.7	-3.6	111.3	E69 E70	E69-R73 WeakPolarHBondContact O-CB 3.44Å; E69-R73 VanDerWaalsContact O-CG 3.28Å; E69-R73 WeakPolarHBondContact O-CG 3.27Å; E69-R73 PolarHBondContact O-N 3.28Å; E69-R73 PolarHBondContact O-NE 2.88Å; E70-R73 PolarHBondContact O-N 3.12Å
74	I	74.7	Confident	63.8	Low	35 Å²	35	109.6 Å²	109.6	18%	0.179	52%	0.522	C	S	.	.	H	α-helix	trans	-66.5	-44.2	179.2	-67.2	157.6	0	0	0	111.1	L37 L41 M66 E70 R77	L37-I74 HydrophobicContact CD2-CG2 3.7Å; L37-I74 WeakPolarHBondContact CD2-O 3.4Å; L41-I74 HydrophobicContact CD2-CD1 3.59Å; M66-I74 HydrophobicContact CE-CD1 3.65Å; M66-I74 HydrophobicContact SD-CD1 4.13Å; E70-I74 WeakPolarHBondContact O-CB 3.41Å; E70-I74 WeakPolarHBondContact O-CD1 3.01Å; E70-I74 VanDerWaalsContact O-CG1 3.27Å; E70-I74 WeakPolarHBondContact O-CG1 3.29Å; E70-I74 PolarHBondContact O-N 3.44Å; I74-R77 PolarHBondContact O-N 3.33Å
75	L	73.1	Confident	61.6	Low	47 Å²	47	120.2 Å²	120.2	25%	0.246	56%	0.56	C	S	.	*	H	α-helix	trans	-66.2	-35.9	178.5	-83.8	163.2	0	0	0	113.7	M25 L27 L37 L63 A71 H72 R77	M25-L75 HydrophobicContact CE-CD1 3.47Å; M25-L75 VanDerWaalsContact CE-CD1 3.47Å; L27-L75 HydrophobicContact CD2-CD2 4.18Å; L37-L75 HydrophobicContact CD1-CD2 4.29Å; L63-L75 HydrophobicContact CD1-CG 4.5Å; A71-L75 WeakPolarHBondContact O-CB 3.31Å; A71-L75 WeakPolarHBondContact O-CD1 3.2Å; A71-L75 WeakPolarHBondContact O-CG 3.4Å; A71-L75 PolarHBondContact O-N 2.72Å; H72-L75 PolarHBondContact O-N 3.25Å; L75-R77 PolarHBondContact O-N 2.71Å
76	R	67.3	Low	59.6	Low	206 Å²	206	123 Å²	123	78%	0.777	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-13.4	-176.9	-85.7	-173.3	-172.4	179.4	5	113.8	H72	H72-R76 WeakPolarHBondContact O-CB 3.23Å; H72-R76 WeakPolarHBondContact O-CG 3.36Å; H72-R76 PolarHBondContact O-N 3.49Å
77	R	60.3	Low	57.8	Low	85 Å²	85	128.1 Å²	128.1	32%	0.321	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	41.8	90.1	-164.1	-81.5	-178.5	169.6	147.2	0.5	108.4	E33 I74 L75 E79	E33-R77 IonicContact OE1-CZ 3.27Å; E33-R77 IonicContact OE1-NH1 3.62Å; E33-R77 PolarHBondContact OE1-NH1 3.07Å; I74-R77 PolarHBondContact O-N 3.33Å; L75-R77 PolarHBondContact O-N 2.71Å; R77-E79 PolarHBondContact O-N 3.34Å
78	E	54.3	Low	56.9	Low	168 Å²	168	131.1 Å²	131.1	79%	0.785	61%	0.609	S	S	*	*			trans	-61.5	93.6	144.1	-75.2	-174.6	171.4	0	0	104.4	P80	E78-P80 WeakPolarHBondContact O-CD 3.41Å
79	E	48.8	Very low	56.6	Low	154 Å²	154	131.6 Å²	131.6	72%	0.72	62%	0.619	S	S	*	*			trans	-47	119	160.4	-69.7	-173.8	163	0	0	103.4	R77 R81	R77-E79 PolarHBondContact O-N 3.34Å; E79-R81 VanDerWaalsContact C-N 3.31Å; E79-R81 PolarHBondContact O-N 2.75Å
80	P	50.6	Low	57	Low	97 Å²	97	129.9 Å²	129.9	63%	0.63	62%	0.618	S	S	*	*			trans	-52.6	112.3	171.5	21	-29.2	0	0	0	103.8	E78 A82	E78-P80 WeakPolarHBondContact O-CD 3.41Å; P80-A82 WeakPolarHBondContact O-CA 3.49Å; P80-A82 PolarHBondContact O-N 2.89Å
81	R	42.8	Very low	57.5	Low	237 Å²	237	136.6 Å²	136.6	89%	0.894	64%	0.641	S	S	*	*			trans	-44.3	111.2	178.7	-81.5	179.2	174.1	177.9	-0.9	104	E79 E83	E79-R81 VanDerWaalsContact C-N 3.31Å; E79-R81 PolarHBondContact O-N 2.75Å; R81-E83 VanDerWaalsContact C-N 3.31Å; R81-E83 WeakPolarHBondContact O-CA 3.46Å; R81-E83 PolarHBondContact O-N 3.38Å
82	A	42.7	Very low	58.1	Low	94 Å²	94	143.2 Å²	143.2	78%	0.777	67%	0.666	S	S	*	*			trans	-30.5	101.7	-165.2	0	0	0	0	0	107.6	P80 V84	P80-A82 WeakPolarHBondContact O-CA 3.49Å; P80-A82 PolarHBondContact O-N 2.89Å; A82-V84 PolarHBondContact O-N 3.01Å
83	E	42.8	Very low	58.7	Low	172 Å²	172	142.7 Å²	142.7	80%	0.804	66%	0.663	S	S	*	*			trans	-48	118.7	-176.7	-80.9	175.9	167.3	0	0	103.5	R81 R85	R81-E83 VanDerWaalsContact C-N 3.31Å; R81-E83 WeakPolarHBondContact O-CA 3.46Å; R81-E83 PolarHBondContact O-N 3.38Å; E83-R85 PolarHBondContact O-N 2.81Å
84	V	39.8	Very low	59.4	Low	124 Å²	124	145 Å²	145	75%	0.752	68%	0.681	S	S	*	*			trans	-34.9	115.6	-177.3	172.7	0	0	0	0	104.3	A82 E86	A82-V84 PolarHBondContact O-N 3.01Å; V84-E86 PolarHBondContact O-N 2.92Å
85	R	37.9	Very low	59.7	Low	235 Å²	235	145.6 Å²	145.6	89%	0.887	70%	0.695	S	S	*	*			trans	-47.2	102.1	170.7	-97.9	-179	171	172.3	-3.6	102.6	E83 E87	E83-R85 PolarHBondContact O-N 2.81Å; R85-E87 PolarHBondContact O-N 2.81Å
86	E	40.4	Very low	60.5	Low	178 Å²	178	146.5 Å²	146.5	83%	0.832	70%	0.703	S	S	*	*			trans	-56	109.4	178.6	-75.9	-175.7	160.2	0	0	100.7	V84 E88	V84-E86 PolarHBondContact O-N 2.92Å; E86-E88 PolarHBondContact O-N 2.84Å
87	E	39.3	Very low	61.5	Low	158 Å²	158	144 Å²	144	74%	0.738	70%	0.7	S	S	*	*			trans	-47.5	123.3	176.1	-68.3	-179.3	161.6	0	0	103.2	R85 T89	R85-E87 PolarHBondContact O-N 2.81Å; E87-T89 HydrophobicContact CB-CG2 4.04Å; E87-T89 WeakPolarHBondContact O-CG2 3.49Å; E87-T89 PolarHBondContact O-N 2.9Å
88	E	54.1	Low	62.8	Low	196 Å²	196	140.4 Å²	140.4	92%	0.916	69%	0.69	S	S	*	*			trans	-62.9	76.5	-176.2	-69.4	177.5	163.7	0	0	107.6	E86 T90	E86-E88 PolarHBondContact O-N 2.84Å; E88-T90 PolarHBondContact O-N 2.84Å; E88-T90 VanDerWaalsContact O-N 3.14Å
89	T	63.6	Low	64.5	Low	113 Å²	113	132.8 Å²	132.8	69%	0.693	65%	0.654	S	S	*	*			trans	-82.9	105.5	-171	49.7	0	0	0	0	104.6	E87 W91	E87-T89 HydrophobicContact CB-CG2 4.04Å; E87-T89 WeakPolarHBondContact O-CG2 3.49Å; E87-T89 PolarHBondContact O-N 2.9Å; T89-W91 PolarHBondContact O-N 3.17Å
90	T	73.9	Confident	66.5	Low	107 Å²	107	133.4 Å²	133.4	66%	0.656	65%	0.654	S	S	*	*			trans	-54.3	111.2	168.1	54.5	0	0	0	0	108.4	E88 Y92	E88-T90 PolarHBondContact O-N 2.84Å; E88-T90 VanDerWaalsContact O-N 3.14Å; T90-Y92 WeakPolarHBondContact O-CD2 3.44Å; T90-Y92 WeakPolarHBondContact OG1-CE2 3.39Å
91	W	82.5	Confident	68.5	Low	213 Å²	213	134.6 Å²	134.6	81%	0.807	65%	0.65	S	S	*	*			trans	-81.5	136.7	175.6	-176.5	79.6	0	0	0	110	T89 H93	T89-W91 PolarHBondContact O-N 3.17Å; W91-H93 HydrophobicContact CE3-CB 4.38Å; W91-H93 HydrophobicContact CH2-CB 3.6Å; W91-H93 HydrophobicContact CZ2-CB 4.42Å; W91-H93 HydrophobicContact CZ3-CB 3.58Å
92	Y	85.2	Confident	70.8	Confident	143 Å²	143	123.3 Å²	123.3	56%	0.561	61%	0.607	S	S	*	*			trans	-112.1	137.6	178.2	-68.8	-88.6	0	0	0	109.3	T90 R324	T90-Y92 WeakPolarHBondContact O-CD2 3.44Å; T90-Y92 WeakPolarHBondContact OG1-CE2 3.39Å; Y92-R324 PolarHBondContact OH-NE 3.22Å
93	H	86.2	Confident	73.2	Confident	88 Å²	88	121.6 Å²	121.6	41%	0.407	58%	0.581	S	S	.	*			trans	-110.4	150.3	172.6	68	-68.3	0	0	0	110.3	W91 G95	W91-H93 HydrophobicContact CE3-CB 4.38Å; W91-H93 HydrophobicContact CH2-CB 3.6Å; W91-H93 HydrophobicContact CZ2-CB 4.42Å; W91-H93 HydrophobicContact CZ3-CB 3.58Å; H93-G95 PolarHBondContact O-N 2.45Å
94	E	86.4	Confident	75.6	Confident	196 Å²	196	118.7 Å²	118.7	92%	0.916	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-73.8	122.9	168.1	-64.5	-173.1	165.6	0	0	108.9
95	G	82.7	Confident	78.1	Confident	46 Å²	46	116.2 Å²	116.2	47%	0.474	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-86.5	163.3	-179.5	0	0	0	0	0	113	H93	H93-G95 PolarHBondContact O-N 2.45Å
96	T	88.2	Confident	80.7	Confident	67 Å²	67	105.1 Å²	105.1	41%	0.411	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-68.2	158.4	175.6	62.4	0	0	0	0	112.2	G98 L99 K100	T96-G98 PolarHBondContact O-N 3.4Å; T96-L99 WeakPolarHBondContact O-CB 3.48Å; T96-L99 PolarHBondContact O-N 3.24Å; T96-L99 VanDerWaalsContact O-N 3.12Å; T96-L99 PolarHBondContact OG1-N 2.56Å; T96-K100 PolarHBondContact O-N 3.31Å
97	E	88.3	Confident	83.2	Confident	152 Å²	152	98.6 Å²	98.6	71%	0.71	48%	0.48	S	S	*	.	H	α-helix	trans	-62.2	-30.5	171.9	-66.9	-164.7	162.8	0	0	112.3	L99 K100 K101	E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 2.86Å; E97-K100 PolarHBondContact O-N 3.39Å; E97-K101 PolarHBondContact O-N 3.13Å
98	G	89.2	Confident	85.8	Confident	11 Å²	11	97.3 Å²	97.3	11%	0.113	48%	0.475	C	S	.	.	H	α-helix	trans	-56.6	-45.4	171.3	0	0	0	0	0	111.6	T96 K100 K101 A102	T96-G98 PolarHBondContact O-N 3.4Å; G98-K100 VanDerWaalsContact C-N 3.35Å; G98-K100 PolarHBondContact O-N 3.18Å; G98-K101 PolarHBondContact O-N 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.35Å; G98-A102 PolarHBondContact O-N 2.86Å
99	L	89.8	Confident	87.7	Confident	7 Å²	7	90.6 Å²	90.6	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-62	-39.6	175.4	-177.5	64.4	0	0	0	113	T96 E97 A102 R103 V284 L285	T96-L99 WeakPolarHBondContact O-CB 3.48Å; T96-L99 PolarHBondContact O-N 3.24Å; T96-L99 VanDerWaalsContact O-N 3.12Å; T96-L99 PolarHBondContact OG1-N 2.56Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 2.86Å; L99-A102 PolarHBondContact O-N 2.81Å; L99-R103 HydrophobicContact CD1-CG 4.2Å; L99-R103 HydrophobicContact CG-CG 4.45Å; L99-R103 VanDerWaalsContact O-CB 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.4Å; L99-R103 VanDerWaalsContact O-CG 3.27Å; L99-R103 WeakPolarHBondContact O-CG 3.48Å; L99-R103 PolarHBondContact O-N 2.83Å; L99-V284 HydrophobicContact CB-CG1 3.8Å; L99-V284 HydrophobicContact CD1-CG1 3.61Å; L99-V284 WeakPolarHBondContact CD1-O 3.4Å; L99-V284 HydrophobicContact CG-CG1 4.3Å; L99-L285 HydrophobicContact CD1-CB 4.14Å; L99-L285 HydrophobicContact CD1-CD1 3.92Å; L99-L285 HydrophobicContact CD2-CD1 4.03Å
100	K	91	Very high	89.1	Confident	167 Å²	167	85.4 Å²	85.4	73%	0.726	41%	0.41	S	S	*	.	H	α-helix	trans	-63.4	-44.9	176.1	-174.3	179.8	178	-178.8	0	111.6	T96 E97 G98 R103 L104	T96-K100 PolarHBondContact O-N 3.31Å; E97-K100 PolarHBondContact O-N 3.39Å; G98-K100 VanDerWaalsContact C-N 3.35Å; G98-K100 PolarHBondContact O-N 3.18Å; K100-R103 PolarHBondContact O-N 3.34Å; K100-L104 PolarHBondContact O-N 3.41Å
101	K	91.9	Very high	90	Very high	123 Å²	123	85.2 Å²	85.2	54%	0.535	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-44.6	177.4	-70.9	174.4	-177.2	168	0	111.4	E97 G98 L104 F105	E97-K101 PolarHBondContact O-N 3.13Å; G98-K101 PolarHBondContact O-N 3.3Å; K101-L104 PolarHBondContact O-N 3.31Å; K101-F105 PolarHBondContact O-N 2.84Å
102	A	91.3	Very high	90.6	Very high	0 Å²	0	78 Å²	78	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-47.2	176	0	0	0	0	0	111.6	G98 L99 L104 F105 M106 F263 V284	G98-A102 WeakPolarHBondContact O-CB 3.35Å; G98-A102 PolarHBondContact O-N 2.86Å; L99-A102 PolarHBondContact O-N 2.81Å; A102-L104 VanDerWaalsContact C-N 3.35Å; A102-L104 PolarHBondContact O-N 3.42Å; A102-F105 WeakPolarHBondContact O-CB 3.22Å; A102-F105 PolarHBondContact O-N 2.99Å; A102-F105 VanDerWaalsContact O-N 3.16Å; A102-M106 WeakPolarHBondContact O-CG 3.17Å; A102-M106 PolarHBondContact O-N 3.19Å; A102-F263 HydrophobicContact CB-CE1 3.63Å; A102-F263 HydrophobicContact CB-CZ 3.69Å; A102-V284 HydrophobicContact CB-CG1 3.7Å
103	R	92.7	Very high	90.9	Very high	58 Å²	58	74.8 Å²	74.8	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-60.3	-42	176.7	-77.9	178.4	170.2	164.2	7.4	112.6	L99 K100 F105 M106 V107 L320 R321	L99-R103 HydrophobicContact CD1-CG 4.2Å; L99-R103 HydrophobicContact CG-CG 4.45Å; L99-R103 VanDerWaalsContact O-CB 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.4Å; L99-R103 VanDerWaalsContact O-CG 3.27Å; L99-R103 WeakPolarHBondContact O-CG 3.48Å; L99-R103 PolarHBondContact O-N 2.83Å; K100-R103 PolarHBondContact O-N 3.34Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 2.78Å; R103-M106 PolarHBondContact O-N 3.23Å; R103-V107 VanDerWaalsContact O-CG2 3.29Å; R103-V107 WeakPolarHBondContact O-CG2 3.02Å; R103-V107 PolarHBondContact O-N 3.18Å; R103-L320 WeakPolarHBondContact CG-O 3.1Å; R103-L320 PolarHBondContact NE-O 3.41Å; R103-R321 WeakPolarHBondContact CD-O 3.43Å
104	L	92.7	Very high	91.2	Very high	111 Å²	111	71.7 Å²	71.7	58%	0.581	36%	0.364	S	S	*	.	H	α-helix	trans	-59.9	-46	175.3	-170.5	83	0	0	0	110.9	K100 K101 A102 M106 V107 M108	K100-L104 PolarHBondContact O-N 3.41Å; K101-L104 PolarHBondContact O-N 3.31Å; A102-L104 VanDerWaalsContact C-N 3.35Å; A102-L104 PolarHBondContact O-N 3.42Å; L104-M106 VanDerWaalsContact C-N 3.35Å; L104-M106 PolarHBondContact O-N 2.65Å; L104-V107 PolarHBondContact O-N 3.3Å; L104-M108 WeakPolarHBondContact O-CG 3.5Å; L104-M108 PolarHBondContact O-N 2.95Å
105	F	93	Very high	91.6	Very high	71 Å²	71	68.6 Å²	68.6	31%	0.311	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-43.7	175.9	176.1	-91.6	0	0	0	111.6	K101 A102 R103 V107 M108 Y109 F263	K101-F105 PolarHBondContact O-N 2.84Å; A102-F105 WeakPolarHBondContact O-CB 3.22Å; A102-F105 PolarHBondContact O-N 2.99Å; A102-F105 VanDerWaalsContact O-N 3.16Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 2.78Å; F105-V107 VanDerWaalsContact C-N 3.33Å; F105-V107 PolarHBondContact O-N 2.8Å; F105-M108 PolarHBondContact O-N 3.12Å; F105-M108 VanDerWaalsContact O-N 3.17Å; F105-Y109 WeakPolarHBondContact O-CB 3.46Å; F105-Y109 PolarHBondContact O-N 3.48Å; F105-F263 AromaticContact CD1-CE2 3.7Å; F105-F263 HydrophobicContact CD1-CE2 3.7Å; F105-F263 HydrophobicContact CD1-CZ 4.02Å; F105-F263 HydrophobicContact CE1-CE2 4.04Å
106	M	92.6	Very high	92	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-36.7	177.3	-65.7	172.5	101.7	0	0	112.5	A102 R103 L104 S110 F263 L275 L320	A102-M106 WeakPolarHBondContact O-CG 3.17Å; A102-M106 PolarHBondContact O-N 3.19Å; R103-M106 PolarHBondContact O-N 3.23Å; L104-M106 VanDerWaalsContact C-N 3.35Å; L104-M106 PolarHBondContact O-N 2.65Å; M106-S110 WeakPolarHBondContact O-CB 3.19Å; M106-S110 PolarHBondContact O-N 2.86Å; M106-S110 PolarHBondContact O-OG 3.4Å; M106-F263 HydrophobicContact CE-CD2 4.25Å; M106-F263 HydrophobicContact CE-CE2 4.42Å; M106-F263 HydrophobicContact CG-CD2 4.28Å; M106-F263 HydrophobicContact CG-CE2 3.6Å; M106-F263 HydrophobicContact CG-CZ 4.2Å; M106-F263 HydrophobicContact SD-CE2 4.16Å; M106-L275 HydrophobicContact CE-CD2 4.31Å; M106-L275 HydrophobicContact SD-CD2 4.49Å; M106-L320 HydrophobicContact CE-CB 3.38Å; M106-L320 HydrophobicContact CE-CD1 3.15Å; M106-L320 HydrophobicContact CE-CD2 3.91Å; M106-L320 HydrophobicContact CE-CG 3.61Å; M106-L320 HydrophobicContact SD-CB 3.86Å
107	V	93	Very high	92.1	Very high	42 Å²	42	69.4 Å²	69.4	26%	0.255	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-49.2	172	172.6	0	0	0	0	110.3	R103 L104 F105 Y109 S110 L111 R321	R103-V107 VanDerWaalsContact O-CG2 3.29Å; R103-V107 WeakPolarHBondContact O-CG2 3.02Å; R103-V107 PolarHBondContact O-N 3.18Å; L104-V107 PolarHBondContact O-N 3.3Å; F105-V107 VanDerWaalsContact C-N 3.33Å; F105-V107 PolarHBondContact O-N 2.8Å; V107-Y109 VanDerWaalsContact C-N 3.3Å; V107-Y109 PolarHBondContact O-N 2.83Å; V107-S110 PolarHBondContact O-N 3.49Å; V107-L111 HydrophobicContact CG1-CD1 3.67Å; V107-L111 HydrophobicContact CG1-CG 4.27Å; V107-L111 WeakPolarHBondContact O-CB 3.12Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.33Å; V107-L111 PolarHBondContact O-N 3.12Å; V107-R321 HydrophobicContact CG2-CB 3.94Å; V107-R321 HydrophobicContact CG2-CG 3.67Å
108	M	94.4	Very high	92.2	Very high	130 Å²	130	65.4 Å²	65.4	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-64.7	-33.9	-179	-67	-61	-175.6	0	0	112.8	L104 F105 P112	L104-M108 WeakPolarHBondContact O-CG 3.5Å; L104-M108 PolarHBondContact O-N 2.95Å; F105-M108 PolarHBondContact O-N 3.12Å; F105-M108 VanDerWaalsContact O-N 3.17Å; M108-P112 WeakPolarHBondContact O-CD 3.37Å; M108-P112 VanDerWaalsContact O-CG 3.23Å; M108-P112 WeakPolarHBondContact O-CG 3.11Å
109	Y	93	Very high	92.4	Very high	56 Å²	56	68.5 Å²	68.5	22%	0.22	33%	0.327	C	S	.	.	H	α-helix	trans	-75.9	-46.2	176.3	-178.5	-95.1	0	0	0	112.6	F105 V107 P112 K113 H258 P259	F105-Y109 WeakPolarHBondContact O-CB 3.46Å; F105-Y109 PolarHBondContact O-N 3.48Å; V107-Y109 VanDerWaalsContact C-N 3.3Å; V107-Y109 PolarHBondContact O-N 2.83Å; Y109-P112 WeakPolarHBondContact O-CD 3.3Å; Y109-P112 WeakPolarHBondContact O-CG 3.16Å; Y109-K113 HydrophobicContact CE1-CG 4.15Å; Y109-K113 WeakPolarHBondContact O-CG 3.4Å; Y109-H258 AromaticContact CD1-CE1 3.78Å; Y109-P259 HydrophobicContact CE1-CB 4.24Å; Y109-P259 PolarHBondContact OH-O 2.86Å
110	S	93	Very high	92.4	Very high	3 Å²	3	73.3 Å²	73.3	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-77	-32.6	-169.6	60.9	0	0	0	0	114.2	M106 V107 K113 A114 D302	M106-S110 WeakPolarHBondContact O-CB 3.19Å; M106-S110 PolarHBondContact O-N 2.86Å; M106-S110 PolarHBondContact O-OG 3.4Å; V107-S110 PolarHBondContact O-N 3.49Å; S110-K113 PolarHBondContact O-N 3.45Å; S110-A114 WeakPolarHBondContact O-CB 3.49Å; S110-A114 PolarHBondContact O-N 3.45Å; S110-D302 VanDerWaalsContact CA-O 3.27Å; S110-D302 WeakPolarHBondContact CA-O 3.33Å; S110-D302 VanDerWaalsContact CB-O 3.28Å; S110-D302 WeakPolarHBondContact CB-O 3.44Å
111	L	92.7	Very high	92.2	Very high	104 Å²	104	67.2 Å²	67.2	55%	0.545	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-50.5	179.3	-71.1	176.9	0	0	0	113.9	V107 A114 K115	V107-L111 HydrophobicContact CG1-CD1 3.67Å; V107-L111 HydrophobicContact CG1-CG 4.27Å; V107-L111 WeakPolarHBondContact O-CB 3.12Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.33Å; V107-L111 PolarHBondContact O-N 3.12Å; L111-A114 PolarHBondContact O-N 2.83Å; L111-K115 PolarHBondContact O-N 2.88Å
112	P	95.2	Very high	92.2	Very high	61 Å²	61	69.6 Å²	69.6	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-40.4	176.7	24.8	-33	0	0	0	111.5	M108 Y109 A114 K115 E116	M108-P112 WeakPolarHBondContact O-CD 3.37Å; M108-P112 VanDerWaalsContact O-CG 3.23Å; M108-P112 WeakPolarHBondContact O-CG 3.11Å; Y109-P112 WeakPolarHBondContact O-CD 3.3Å; Y109-P112 WeakPolarHBondContact O-CG 3.16Å; P112-A114 PolarHBondContact O-N 3.18Å; P112-K115 WeakPolarHBondContact O-CB 3.36Å; P112-K115 PolarHBondContact O-N 3.06Å; P112-K115 VanDerWaalsContact O-N 3.12Å; P112-E116 WeakPolarHBondContact O-CG 3.41Å; P112-E116 PolarHBondContact O-N 2.7Å
113	K	92	Very high	92.2	Very high	75 Å²	75	75.3 Å²	75.3	33%	0.326	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.4	-72.1	-73.8	162.7	-152.8	0	112.7	Y109 S110 K115 E116 R117 D302	Y109-K113 HydrophobicContact CE1-CG 4.15Å; Y109-K113 WeakPolarHBondContact O-CG 3.4Å; S110-K113 PolarHBondContact O-N 3.45Å; K113-K115 VanDerWaalsContact C-N 3.3Å; K113-K115 PolarHBondContact O-N 2.92Å; K113-E116 IonicContact NZ-OE2 2.91Å; K113-E116 PolarHBondContact NZ-OE2 2.8Å; K113-E116 PolarHBondContact O-N 2.85Å; K113-R117 WeakPolarHBondContact O-CB 3.28Å; K113-R117 PolarHBondContact O-N 3.19Å; K113-D302 HydrophobicContact CB-CB 4.34Å
114	A	92.1	Very high	91.8	Very high	23 Å²	23	75.5 Å²	75.5	19%	0.19	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-36.7	174.1	0	0	0	0	0	112.1	S110 L111 P112 L118 D302	S110-A114 WeakPolarHBondContact O-CB 3.49Å; S110-A114 PolarHBondContact O-N 3.45Å; L111-A114 PolarHBondContact O-N 2.83Å; P112-A114 PolarHBondContact O-N 3.18Å; A114-L118 WeakPolarHBondContact O-CB 3.27Å; A114-L118 VanDerWaalsContact O-CG 3.23Å; A114-L118 WeakPolarHBondContact O-CG 3.18Å; A114-L118 PolarHBondContact O-N 3.45Å; A114-D302 WeakPolarHBondContact CA-OD2 3.36Å; A114-D302 HydrophobicContact CB-CB 4.37Å
115	K	94.4	Very high	91.5	Very high	131 Å²	131	80.3 Å²	80.3	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-50.8	173.7	-177.7	-176.7	168.9	-172.4	0	111.2	L111 P112 K113 R117 L118 E119	L111-K115 PolarHBondContact O-N 2.88Å; P112-K115 WeakPolarHBondContact O-CB 3.36Å; P112-K115 PolarHBondContact O-N 3.06Å; P112-K115 VanDerWaalsContact O-N 3.12Å; K113-K115 VanDerWaalsContact C-N 3.3Å; K113-K115 PolarHBondContact O-N 2.92Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 3.19Å; K115-L118 PolarHBondContact O-N 2.65Å; K115-L118 VanDerWaalsContact O-N 3.14Å; K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 IonicContact NZ-OE1 2.73Å; K115-E119 WeakPolarHBondContact O-CG 3.35Å; K115-E119 PolarHBondContact O-N 2.88Å
116	E	91.7	Very high	91.4	Very high	90 Å²	90	81.3 Å²	81.3	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-55.4	-47.7	176.8	-73.1	172.8	-175	0	0	111.2	P112 K113 L118 E119 I120	P112-E116 WeakPolarHBondContact O-CG 3.41Å; P112-E116 PolarHBondContact O-N 2.7Å; K113-E116 IonicContact NZ-OE2 2.91Å; K113-E116 PolarHBondContact NZ-OE2 2.8Å; K113-E116 PolarHBondContact O-N 2.85Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.17Å; E116-E119 WeakPolarHBondContact O-CB 3.39Å; E116-E119 PolarHBondContact O-N 3.1Å; E116-E119 VanDerWaalsContact O-N 3.16Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 3.31Å
117	R	90.4	Very high	91.1	Very high	40 Å²	40	83.8 Å²	83.8	15%	0.151	41%	0.413	C	S	.	.	H	α-helix	trans	-60.8	-41.3	177.5	-177.6	-179	60.1	98.3	-2.2	112.5	K113 K115 E119 A121 D302 S344	K113-R117 WeakPolarHBondContact O-CB 3.28Å; K113-R117 PolarHBondContact O-N 3.19Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 3.19Å; R117-E119 VanDerWaalsContact C-N 3.32Å; R117-A121 WeakPolarHBondContact O-CB 3.3Å; R117-A121 PolarHBondContact O-N 2.8Å; R117-D302 WeakPolarHBondContact CD-OD1 3.26Å; R117-D302 IonicContact CZ-OD2 2.81Å; R117-D302 IonicContact NE-OD1 2.69Å; R117-D302 PolarHBondContact NE-OD1 2.89Å; R117-D302 IonicContact NE-OD2 3.91Å; R117-D302 PolarHBondContact NE-OD2 3.18Å; R117-D302 IonicContact NH2-OD2 3.52Å; R117-D302 PolarHBondContact NH2-OD2 3.43Å; R117-S344 WeakPolarHBondContact CD-O 3.42Å; R117-S344 PolarHBondContact NH1-O 2.85Å
118	L	90.8	Very high	91	Very high	68 Å²	68	85 Å²	85	36%	0.356	42%	0.422	S	S	.	.	H	α-helix	trans	-68.1	-33.2	177.2	-74.7	174.6	0	0	0	112.2	A114 K115 E116 A121 R122	A114-L118 WeakPolarHBondContact O-CB 3.27Å; A114-L118 VanDerWaalsContact O-CG 3.23Å; A114-L118 WeakPolarHBondContact O-CG 3.18Å; A114-L118 PolarHBondContact O-N 3.45Å; K115-L118 PolarHBondContact O-N 2.65Å; K115-L118 VanDerWaalsContact O-N 3.14Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.17Å; L118-A121 PolarHBondContact O-N 2.96Å; L118-R122 VanDerWaalsContact O-CG 3.3Å; L118-R122 WeakPolarHBondContact O-CG 3.49Å; L118-R122 PolarHBondContact O-N 3.05Å
119	E	92.7	Very high	90.8	Very high	77 Å²	77	83.5 Å²	83.5	36%	0.36	42%	0.424	S	S	.	.	H	α-helix	trans	-66.5	-50	173.8	-73.4	171.5	176.6	0	0	111	K115 E116 R117 A121 R122 E123	K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 IonicContact NZ-OE1 2.73Å; K115-E119 WeakPolarHBondContact O-CG 3.35Å; K115-E119 PolarHBondContact O-N 2.88Å; E116-E119 WeakPolarHBondContact O-CB 3.39Å; E116-E119 PolarHBondContact O-N 3.1Å; E116-E119 VanDerWaalsContact O-N 3.16Å; R117-E119 VanDerWaalsContact C-N 3.32Å; E119-A121 PolarHBondContact O-N 3.19Å; E119-R122 WeakPolarHBondContact O-CA 2.95Å; E119-R122 WeakPolarHBondContact O-CB 3.27Å; E119-R122 PolarHBondContact O-N 2.94Å; E119-E123 PolarHBondContact O-N 2.77Å
120	I	89.6	Confident	90.7	Very high	108 Å²	108	88.8 Å²	88.8	55%	0.554	45%	0.449	S	S	*	.	H	α-helix	trans	-57.3	-38.5	173.9	-64.5	165.8	0	0	0	111.1	E116 R122 E123 S124	E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 3.31Å; I120-R122 VanDerWaalsContact C-N 3.34Å; I120-R122 PolarHBondContact O-N 2.85Å; I120-E123 PolarHBondContact O-N 2.77Å; I120-S124 WeakPolarHBondContact O-CB 3.26Å; I120-S124 PolarHBondContact O-N 2.82Å; I120-S124 PolarHBondContact O-OG 2.9Å
121	A	88	Confident	90.6	Very high	39 Å²	39	92.6 Å²	92.6	32%	0.322	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-30.7	175.9	0	0	0	0	0	113.2	R117 L118 E119 S124 R125	R117-A121 WeakPolarHBondContact O-CB 3.3Å; R117-A121 PolarHBondContact O-N 2.8Å; L118-A121 PolarHBondContact O-N 2.96Å; E119-A121 PolarHBondContact O-N 3.19Å; A121-S124 WeakPolarHBondContact CA-OG 3.5Å; A121-S124 PolarHBondContact O-OG 3.12Å; A121-S124 VanDerWaalsContact O-OG 3.09Å; A121-R125 WeakPolarHBondContact O-CB 3.1Å; A121-R125 PolarHBondContact O-N 3.19Å; A121-R125 VanDerWaalsContact O-N 3.13Å
122	R	92	Very high	90.2	Very high	173 Å²	173	91.7 Å²	91.7	65%	0.653	46%	0.458	S	S	*	.	H	α-helix	trans	-73.1	-42.3	173.8	-73.7	167.9	-179.1	170	0.6	110.9	L118 E119 I120 R125 S126	L118-R122 VanDerWaalsContact O-CG 3.3Å; L118-R122 WeakPolarHBondContact O-CG 3.49Å; L118-R122 PolarHBondContact O-N 3.05Å; E119-R122 WeakPolarHBondContact O-CA 2.95Å; E119-R122 WeakPolarHBondContact O-CB 3.27Å; E119-R122 PolarHBondContact O-N 2.94Å; I120-R122 VanDerWaalsContact C-N 3.34Å; I120-R122 PolarHBondContact O-N 2.85Å; R122-R125 WeakPolarHBondContact O-CB 3.49Å; R122-R125 PolarHBondContact O-N 2.72Å; R122-S126 PolarHBondContact O-N 2.89Å; R122-S126 PolarHBondContact O-OG 2.91Å
123	E	89.8	Confident	89.8	Confident	120 Å²	120	91.6 Å²	91.6	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-61.3	-50.5	175.7	-69.6	175.2	179.9	0	0	110.9	E119 I120 R125 S126 M127	E119-E123 PolarHBondContact O-N 2.77Å; I120-E123 PolarHBondContact O-N 2.77Å; E123-R125 PolarHBondContact O-N 3.32Å; E123-S126 WeakPolarHBondContact CA-OG 3.2Å; E123-S126 WeakPolarHBondContact O-CA 3.46Å; E123-S126 PolarHBondContact O-N 2.5Å; E123-S126 PolarHBondContact O-OG 3.34Å; E123-M127 WeakPolarHBondContact O-CG 3.47Å; E123-M127 PolarHBondContact O-N 3.08Å; E123-M127 VanDerWaalsContact O-N 3.11Å
124	S	85.4	Confident	89.7	Confident	61 Å²	61	92.2 Å²	92.2	43%	0.427	47%	0.468	S	S	.	.	H	α-helix	trans	-60.7	-32.2	176.4	70.1	0	0	0	0	112.1	I120 A121 K132	I120-S124 WeakPolarHBondContact O-CB 3.26Å; I120-S124 PolarHBondContact O-N 2.82Å; I120-S124 PolarHBondContact O-OG 2.9Å; A121-S124 WeakPolarHBondContact CA-OG 3.5Å; A121-S124 PolarHBondContact O-OG 3.12Å; A121-S124 VanDerWaalsContact O-OG 3.09Å; S124-K132 WeakPolarHBondContact O-CE 3.31Å; S124-K132 PolarHBondContact O-NZ 2.87Å
125	R	86.6	Confident	89.4	Confident	212 Å²	212	96.8 Å²	96.8	80%	0.8	48%	0.48	S	S	*	.	H	α-helix	trans	-66.8	-41.4	171.6	-172	177	179.5	-179.2	-0.4	112.1	A121 R122 E123 M127 K132	A121-R125 WeakPolarHBondContact O-CB 3.1Å; A121-R125 PolarHBondContact O-N 3.19Å; A121-R125 VanDerWaalsContact O-N 3.13Å; R122-R125 WeakPolarHBondContact O-CB 3.49Å; R122-R125 PolarHBondContact O-N 2.72Å; E123-R125 PolarHBondContact O-N 3.32Å; R125-M127 VanDerWaalsContact C-N 3.3Å; R125-M127 PolarHBondContact O-N 3.23Å; R125-K132 PolarHBondContact O-NZ 3.15Å
126	S	90.5	Very high	89	Confident	93 Å²	93	94.7 Å²	94.7	65%	0.65	48%	0.475	S	S	*	.	H	α-helix	trans	-69.5	-20	178.6	59.9	0	0	0	0	114.9	R122 E123	R122-S126 PolarHBondContact O-N 2.89Å; R122-S126 PolarHBondContact O-OG 2.91Å; E123-S126 WeakPolarHBondContact CA-OG 3.2Å; E123-S126 WeakPolarHBondContact O-CA 3.46Å; E123-S126 PolarHBondContact O-N 2.5Å; E123-S126 PolarHBondContact O-OG 3.34Å
127	M	86.3	Confident	88.8	Confident	53 Å²	53	97.1 Å²	97.1	26%	0.261	49%	0.486	S	S	.	.	S	Bend	trans	-57.1	136.4	178.9	-65.7	-57	-72.2	0	0	112.5	E123 R125 E131 K132	E123-M127 WeakPolarHBondContact O-CG 3.47Å; E123-M127 PolarHBondContact O-N 3.08Å; E123-M127 VanDerWaalsContact O-N 3.11Å; R125-M127 VanDerWaalsContact C-N 3.3Å; R125-M127 PolarHBondContact O-N 3.23Å; M127-E131 WeakPolarHBondContact CE-OE2 3.2Å; M127-K132 WeakPolarHBondContact O-CE 3.49Å; M127-K132 PolarHBondContact O-NZ 2.73Å; M127-K132 VanDerWaalsContact O-NZ 3.1Å
128	P	91.5	Very high	88.7	Confident	68 Å²	68	101.2 Å²	101.2	44%	0.442	51%	0.507	S	S	.	.			trans	-55.4	144.6	177.9	-25.2	33.7	0	0	0	113	K130 E131 K132	P128-K130 PolarHBondContact O-N 2.78Å; P128-E131 PolarHBondContact O-N 3.2Å; P128-K132 PolarHBondContact O-N 2.87Å
129	S	89.6	Confident	88.4	Confident	98 Å²	98	99.1 Å²	99.1	69%	0.685	50%	0.497	S	S	*	.	H	α-helix	trans	-59.8	-32.9	-179.3	56.7	0	0	0	0	113.5	K132 A133	S129-K132 PolarHBondContact O-N 2.91Å; S129-A133 PolarHBondContact O-N 3.21Å
130	K	91.4	Very high	88.1	Confident	168 Å²	168	99.3 Å²	99.3	73%	0.73	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-44.7	177.9	-68	-177.5	179.8	178.6	0	112.2	P128 A133 I134	P128-K130 PolarHBondContact O-N 2.78Å; K130-A133 PolarHBondContact O-N 2.82Å; K130-I134 VanDerWaalsContact O-CG1 3.31Å; K130-I134 WeakPolarHBondContact O-CG1 3.46Å; K130-I134 PolarHBondContact O-N 2.07Å
131	E	89.2	Confident	88.1	Confident	82 Å²	82	102.2 Å²	102.2	38%	0.383	50%	0.502	S	S	.	.	H	α-helix	trans	-68.9	-37.6	-179.3	-67.9	176.2	-164	0	0	111.8	M127 P128 A133 I134 R135	M127-E131 WeakPolarHBondContact CE-OE2 3.2Å; P128-E131 PolarHBondContact O-N 3.2Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.01Å; E131-I134 PolarHBondContact O-N 2.86Å; E131-R135 WeakPolarHBondContact O-CG 3.19Å; E131-R135 PolarHBondContact O-N 2.87Å
132	K	85.3	Confident	88.1	Confident	86 Å²	86	102.9 Å²	102.9	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-43.7	172.1	-67.2	176.2	-179.8	166.3	0	111.6	S124 R125 M127 P128 S129 R135 L136	S124-K132 WeakPolarHBondContact O-CE 3.31Å; S124-K132 PolarHBondContact O-NZ 2.87Å; R125-K132 PolarHBondContact O-NZ 3.15Å; M127-K132 WeakPolarHBondContact O-CE 3.49Å; M127-K132 PolarHBondContact O-NZ 2.73Å; M127-K132 VanDerWaalsContact O-NZ 3.1Å; P128-K132 PolarHBondContact O-N 2.87Å; S129-K132 PolarHBondContact O-N 2.91Å; K132-R135 PolarHBondContact O-N 3.45Å; K132-L136 WeakPolarHBondContact O-CB 3.17Å; K132-L136 PolarHBondContact O-N 2.98Å
133	A	87.3	Confident	87.9	Confident	58 Å²	58	94.7 Å²	94.7	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-65.2	-40.8	178.1	0	0	0	0	0	112.2	S129 K130 E131 L136 Q137	S129-A133 PolarHBondContact O-N 3.21Å; K130-A133 PolarHBondContact O-N 2.82Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.01Å; A133-L136 PolarHBondContact O-N 2.92Å; A133-Q137 WeakPolarHBondContact O-CB 3.44Å; A133-Q137 PolarHBondContact O-N 2.85Å
134	I	89.7	Confident	87.8	Confident	89 Å²	89	92.6 Å²	92.6	46%	0.456	46%	0.46	S	S	.	.	H	α-helix	trans	-62	-48.3	176.1	-67.8	163.8	0	0	0	110.4	K130 E131 L136 Q137 E138	K130-I134 VanDerWaalsContact O-CG1 3.31Å; K130-I134 WeakPolarHBondContact O-CG1 3.46Å; K130-I134 PolarHBondContact O-N 2.07Å; E131-I134 PolarHBondContact O-N 2.86Å; I134-L136 VanDerWaalsContact C-N 3.35Å; I134-L136 PolarHBondContact O-N 2.92Å; I134-Q137 WeakPolarHBondContact O-CB 3.41Å; I134-Q137 PolarHBondContact O-N 3.25Å; I134-Q137 VanDerWaalsContact O-N 3.12Å; I134-E138 HydrophobicContact CG2-CG 4.46Å; I134-E138 WeakPolarHBondContact O-CG 3.36Å; I134-E138 PolarHBondContact O-N 3.5Å
135	R	85.2	Confident	87.9	Confident	119 Å²	119	92 Å²	92	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-57.9	-46.2	177.4	-73.1	179.7	-175.3	160.7	3	112.1	E131 K132 Q137 E138 T139	E131-R135 WeakPolarHBondContact O-CG 3.19Å; E131-R135 PolarHBondContact O-N 2.87Å; K132-R135 PolarHBondContact O-N 3.45Å; R135-Q137 VanDerWaalsContact C-N 3.28Å; R135-Q137 PolarHBondContact O-N 2.84Å; R135-E138 PolarHBondContact O-N 2.84Å; R135-T139 WeakPolarHBondContact O-CG2 3.23Å; R135-T139 PolarHBondContact O-N 3.12Å; R135-T139 PolarHBondContact O-OG1 3.29Å
136	L	85.1	Confident	88.1	Confident	87 Å²	87	81.9 Å²	81.9	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-33.6	178.1	-172.5	138.3	0	0	0	112.5	K132 A133 I134 T139 H140	K132-L136 WeakPolarHBondContact O-CB 3.17Å; K132-L136 PolarHBondContact O-N 2.98Å; A133-L136 PolarHBondContact O-N 2.92Å; I134-L136 VanDerWaalsContact C-N 3.35Å; I134-L136 PolarHBondContact O-N 2.92Å; L136-T139 WeakPolarHBondContact CA-OG1 3.48Å; L136-T139 PolarHBondContact O-OG1 3.11Å; L136-H140 VanDerWaalsContact O-CB 3.31Å; L136-H140 WeakPolarHBondContact O-CB 3.42Å; L136-H140 PolarHBondContact O-N 2.79Å
137	Q	88.5	Confident	88.1	Confident	140 Å²	140	79.3 Å²	79.3	65%	0.654	40%	0.4	S	S	*	.	H	α-helix	trans	-71	-39.2	174.6	-173.3	177.4	-1.7	0	0	112	A133 I134 R135 H140 R141	A133-Q137 WeakPolarHBondContact O-CB 3.44Å; A133-Q137 PolarHBondContact O-N 2.85Å; I134-Q137 WeakPolarHBondContact O-CB 3.41Å; I134-Q137 PolarHBondContact O-N 3.25Å; I134-Q137 VanDerWaalsContact O-N 3.12Å; R135-Q137 VanDerWaalsContact C-N 3.28Å; R135-Q137 PolarHBondContact O-N 2.84Å; Q137-H140 PolarHBondContact O-N 3.43Å; Q137-R141 WeakPolarHBondContact O-CB 3.28Å; Q137-R141 PolarHBondContact O-N 2.97Å
138	E	87.2	Confident	88.3	Confident	126 Å²	126	79.7 Å²	79.7	59%	0.589	40%	0.403	S	S	*	.	H	α-helix	trans	-64.2	-45.3	175.6	-73	176.7	168.7	0	0	111.6	I134 R135 R141 W142	I134-E138 HydrophobicContact CG2-CG 4.46Å; I134-E138 WeakPolarHBondContact O-CG 3.36Å; I134-E138 PolarHBondContact O-N 3.5Å; R135-E138 PolarHBondContact O-N 2.84Å; E138-R141 PolarHBondContact O-N 3.49Å; E138-W142 WeakPolarHBondContact O-CB 3.31Å; E138-W142 PolarHBondContact O-N 2.94Å
139	T	85	Confident	88.2	Confident	25 Å²	25	81.7 Å²	81.7	15%	0.153	40%	0.403	C	S	.	.	H	α-helix	trans	-64.2	-43	175.8	56.2	0	0	0	0	111.4	R135 L136 R141 W142 I143 D389	R135-T139 WeakPolarHBondContact O-CG2 3.23Å; R135-T139 PolarHBondContact O-N 3.12Å; R135-T139 PolarHBondContact O-OG1 3.29Å; L136-T139 WeakPolarHBondContact CA-OG1 3.48Å; L136-T139 PolarHBondContact O-OG1 3.11Å; T139-R141 VanDerWaalsContact C-N 3.31Å; T139-R141 PolarHBondContact O-N 2.7Å; T139-W142 WeakPolarHBondContact O-CB 3.42Å; T139-W142 PolarHBondContact O-N 3.47Å; T139-I143 WeakPolarHBondContact O-CB 3.27Å; T139-I143 VanDerWaalsContact O-CG1 3.23Å; T139-I143 WeakPolarHBondContact O-CG1 3.27Å; T139-I143 PolarHBondContact O-N 2.9Å; T139-D389 HydrophobicContact CG2-CB 4.09Å; T139-D389 WeakPolarHBondContact CG2-OD2 3.15Å
140	H	87.7	Confident	88.2	Confident	81 Å²	81	78.5 Å²	78.5	38%	0.375	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-40.8	175.6	-177.8	-138.3	0	0	0	112.3	L136 Q137 I143 T144 L411	L136-H140 VanDerWaalsContact O-CB 3.31Å; L136-H140 WeakPolarHBondContact O-CB 3.42Å; L136-H140 PolarHBondContact O-N 2.79Å; Q137-H140 PolarHBondContact O-N 3.43Å; H140-I143 PolarHBondContact O-N 2.95Å; H140-T144 WeakPolarHBondContact O-CB 3.33Å; H140-T144 PolarHBondContact O-N 3.16Å; H140-T144 PolarHBondContact O-OG1 3.38Å; H140-L411 VanDerWaalsContact CD2-CD2 3.45Å; H140-L411 WeakPolarHBondContact CD2-CD2 3.41Å
141	R	88.2	Confident	88.2	Confident	169 Å²	169	73.7 Å²	73.7	64%	0.638	37%	0.368	S	S	*	.	H	α-helix	trans	-62.2	-45	175	-176.7	-178.7	179.2	156.8	7.2	111.2	Q137 E138 T139 T144 S145	Q137-R141 WeakPolarHBondContact O-CB 3.28Å; Q137-R141 PolarHBondContact O-N 2.97Å; E138-R141 PolarHBondContact O-N 3.49Å; T139-R141 VanDerWaalsContact C-N 3.31Å; T139-R141 PolarHBondContact O-N 2.7Å; R141-T144 PolarHBondContact O-N 2.72Å; R141-S145 PolarHBondContact O-N 2.86Å; R141-S145 PolarHBondContact O-OG 2.94Å
142	W	88.1	Confident	88.3	Confident	53 Å²	53	73.3 Å²	73.3	20%	0.201	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-51.2	176.6	179.3	87.9	0	0	0	111.1	E138 T139 T144 S145 V146 F390 S430 L433	E138-W142 WeakPolarHBondContact O-CB 3.31Å; E138-W142 PolarHBondContact O-N 2.94Å; T139-W142 WeakPolarHBondContact O-CB 3.42Å; T139-W142 PolarHBondContact O-N 3.47Å; W142-T144 VanDerWaalsContact C-N 3.28Å; W142-T144 PolarHBondContact O-N 3.44Å; W142-S145 WeakPolarHBondContact O-CA 3.45Å; W142-S145 PolarHBondContact O-N 3.36Å; W142-S145 PolarHBondContact O-OG 3.43Å; W142-V146 HydrophobicContact CD2-CG2 4.21Å; W142-V146 HydrophobicContact CE3-CG2 4.07Å; W142-V146 HydrophobicContact CH2-CG2 3.78Å; W142-V146 HydrophobicContact CZ2-CG2 3.95Å; W142-V146 HydrophobicContact CZ3-CG2 3.86Å; W142-V146 WeakPolarHBondContact O-CG2 3.22Å; W142-V146 PolarHBondContact O-N 3.46Å; W142-F390 HydrophobicContact CE3-CE1 4.39Å; W142-F390 HydrophobicContact CH2-CZ 4.13Å; W142-F390 AromaticContact CZ3-CE1 3.93Å; W142-F390 HydrophobicContact CZ3-CE1 3.93Å; W142-F390 HydrophobicContact CZ3-CE2 4.22Å; W142-F390 AromaticContact CZ3-CZ 3.62Å; W142-F390 HydrophobicContact CZ3-CZ 3.62Å; W142-S430 VanDerWaalsContact CH2-O 3.24Å; W142-S430 WeakPolarHBondContact CH2-O 3.48Å; W142-S430 WeakPolarHBondContact CZ2-O 3.33Å; W142-L433 HydrophobicContact CH2-CD2 4.32Å; W142-L433 HydrophobicContact CH2-CG 4.39Å
143	I	87.6	Confident	88.7	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-56.7	-42.7	178.3	-68.3	167.6	0	0	0	111.2	T139 H140 S145 V146 F390 I402 L411 K412	T139-I143 WeakPolarHBondContact O-CB 3.27Å; T139-I143 VanDerWaalsContact O-CG1 3.23Å; T139-I143 WeakPolarHBondContact O-CG1 3.27Å; T139-I143 PolarHBondContact O-N 2.9Å; H140-I143 PolarHBondContact O-N 2.95Å; I143-S145 PolarHBondContact O-N 3.4Å; I143-V146 WeakPolarHBondContact O-CB 3.23Å; I143-V146 PolarHBondContact O-N 2.78Å; I143-F390 HydrophobicContact CD1-CB 3.76Å; I143-F390 HydrophobicContact CD1-CD1 4.08Å; I143-F390 HydrophobicContact CD1-CG 3.91Å; I143-I402 HydrophobicContact CD1-CG2 3.87Å; I143-I402 HydrophobicContact CG1-CG2 4.16Å; I143-I402 HydrophobicContact CG2-CB 4.01Å; I143-I402 HydrophobicContact CG2-CD1 3.87Å; I143-I402 HydrophobicContact CG2-CG2 3.75Å; I143-L411 HydrophobicContact CD1-CD1 3.39Å; I143-L411 HydrophobicContact CG2-CB 3.9Å; I143-L411 HydrophobicContact CG2-CD1 4.23Å; I143-K412 HydrophobicContact CG2-CB 4.01Å; I143-K412 VanDerWaalsContact O-CD 3.23Å; I143-K412 WeakPolarHBondContact O-CD 3.35Å
144	T	87.6	Confident	88.7	Confident	75 Å²	75	71 Å²	71	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-33.2	178.4	-55.6	0	0	0	0	111.7	H140 R141 W142 K412	H140-T144 WeakPolarHBondContact O-CB 3.33Å; H140-T144 PolarHBondContact O-N 3.16Å; H140-T144 PolarHBondContact O-OG1 3.38Å; R141-T144 PolarHBondContact O-N 2.72Å; W142-T144 VanDerWaalsContact C-N 3.28Å; W142-T144 PolarHBondContact O-N 3.44Å; T144-K412 PolarHBondContact O-NZ 2.78Å
145	S	88.5	Confident	88.5	Confident	48 Å²	48	67.6 Å²	67.6	34%	0.336	34%	0.336	S	S	.	.	H	α-helix	trans	-82.4	-10.7	177.9	54.2	0	0	0	0	115.5	R141 W142 I143 S147 P447	R141-S145 PolarHBondContact O-N 2.86Å; R141-S145 PolarHBondContact O-OG 2.94Å; W142-S145 WeakPolarHBondContact O-CA 3.45Å; W142-S145 PolarHBondContact O-N 3.36Å; W142-S145 PolarHBondContact O-OG 3.43Å; I143-S145 PolarHBondContact O-N 3.4Å; S145-S147 PolarHBondContact O-N 2.82Å; S145-P447 WeakPolarHBondContact O-CA 3.31Å; S145-P447 VanDerWaalsContact OG-CB 3.3Å; S145-P447 WeakPolarHBondContact OG-CB 3.43Å
146	V	90.5	Very high	88.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	120.3	-178.7	175.3	0	0	0	0	111.2	W142 I143 K412 L414 L433 W445	W142-V146 HydrophobicContact CD2-CG2 4.21Å; W142-V146 HydrophobicContact CE3-CG2 4.07Å; W142-V146 HydrophobicContact CH2-CG2 3.78Å; W142-V146 HydrophobicContact CZ2-CG2 3.95Å; W142-V146 HydrophobicContact CZ3-CG2 3.86Å; W142-V146 WeakPolarHBondContact O-CG2 3.22Å; W142-V146 PolarHBondContact O-N 3.46Å; I143-V146 WeakPolarHBondContact O-CB 3.23Å; I143-V146 PolarHBondContact O-N 2.78Å; V146-K412 WeakPolarHBondContact O-CE 3.3Å; V146-K412 PolarHBondContact O-NZ 3.49Å; V146-L414 HydrophobicContact CB-CD2 4.46Å; V146-L414 HydrophobicContact CG1-CD1 4.18Å; V146-L414 HydrophobicContact CG1-CD2 4.09Å; V146-L433 HydrophobicContact CG1-CD1 4.04Å; V146-W445 HydrophobicContact CG1-CB 3.57Å
147	S	90.6	Very high	89.2	Confident	39 Å²	39	68.8 Å²	68.8	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	171.5	174.1	59.8	0	0	0	0	110.1	S145 Y149 W445 A446	S145-S147 PolarHBondContact O-N 2.82Å; S147-Y149 PolarHBondContact O-N 2.82Å; S147-W445 VanDerWaalsContact O-CA 3.24Å; S147-W445 WeakPolarHBondContact O-CA 3.33Å; S147-A446 PolarHBondContact N-O 3Å; S147-A446 PolarHBondContact O-N 3.27Å; S147-A446 VanDerWaalsContact O-N 3.1Å; S147-A446 VanDerWaalsContact O-O 3.08Å
148	N	90.9	Very high	89.4	Confident	62 Å²	62	63 Å²	63	33%	0.332	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	115	175.8	-178.4	9	0	0	0	108.5	C150 L444 W445	N148-C150 PolarHBondContact OD1-N 3.02Å; N148-C150 PolarHBondContact OD1-O 3.05Å; N148-C150 VanDerWaalsContact OD1-O 3.13Å; N148-L444 PolarHBondContact OD1-O 2.88Å; N148-W445 HydrophobicContact CB-CD2 4.5Å; N148-W445 HydrophobicContact CB-CE3 3.88Å; N148-W445 HydrophobicContact CB-CH2 4.05Å; N148-W445 HydrophobicContact CB-CZ3 3.63Å; N148-W445 VanDerWaalsContact N-CE3 3.32Å
149	Y	89.4	Confident	89.7	Confident	109 Å²	109	57 Å²	57	43%	0.427	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-46.1	179.5	-179	-95.2	0	0	0	111.5	S147 P186 W432 L444	S147-Y149 PolarHBondContact O-N 2.82Å; Y149-P186 HydrophobicContact CE1-CB 4.15Å; Y149-W432 HydrophobicContact CD1-CH2 4.21Å; Y149-W432 AromaticContact CD1-CZ3 3.69Å; Y149-W432 HydrophobicContact CD1-CZ3 3.69Å; Y149-W432 HydrophobicContact CD2-CH2 4.46Å; Y149-W432 HydrophobicContact CD2-CZ3 4.22Å; Y149-W432 HydrophobicContact CE1-CH2 4.1Å; Y149-W432 HydrophobicContact CE1-CZ3 4.04Å; Y149-W432 HydrophobicContact CE2-CH2 4.35Å; Y149-W432 HydrophobicContact CG-CH2 4.39Å; Y149-W432 AromaticContact CG-CZ3 3.79Å; Y149-W432 HydrophobicContact CG-CZ3 3.79Å; Y149-L444 PolarHBondContact N-O 3.41Å
150	C	88.7	Confident	90.1	Very high	31 Å²	31	56 Å²	56	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.8	-177.4	179.6	0	0	0	0	110.5	N148 K443 L444	N148-C150 PolarHBondContact OD1-N 3.02Å; N148-C150 PolarHBondContact OD1-O 3.05Å; N148-C150 VanDerWaalsContact OD1-O 3.13Å; C150-K443 CarbonylContact O-C 3.58Å; C150-K443 WeakPolarHBondContact O-CA 3.37Å; C150-L444 PolarHBondContact N-O 2.73Å; C150-L444 PolarHBondContact O-N 3.28Å
151	S	91.5	Very high	90.4	Very high	67 Å²	67	52.2 Å²	52.2	47%	0.469	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.7	169.3	58.1	0	0	0	0	110	V442	S151-V442 WeakPolarHBondContact CA-O 3.19Å
152	Q	92.3	Very high	90.7	Very high	74 Å²	74	44.2 Å²	44.2	35%	0.346	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.2	-178.9	-173.7	60.9	17.1	0	0	110.3	G154 W183 C188 T441 V442	Q152-G154 PolarHBondContact O-N 3.14Å; Q152-W183 HydrophobicContact CG-CE3 4.06Å; Q152-W183 HydrophobicContact CG-CH2 4.13Å; Q152-W183 HydrophobicContact CG-CZ3 3.62Å; Q152-C188 HydrophobicContact CB-CB 4.05Å; Q152-C188 HydrophobicContact CG-CB 4.3Å; Q152-T441 CarbonylContact O-C 3.59Å; Q152-T441 VanDerWaalsContact O-CA 3.22Å; Q152-T441 WeakPolarHBondContact O-CA 3.46Å; Q152-V442 PolarHBondContact N-O 2.94Å; Q152-V442 PolarHBondContact O-N 3.04Å
153	V	92.5	Very high	91	Very high	92 Å²	92	42.7 Å²	42.7	56%	0.558	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.1	172.7	-179.3	0	0	0	0	108.7	W183 T441	V153-W183 WeakPolarHBondContact O-CH2 3.47Å; V153-T441 HydrophobicContact CG2-CG2 4.44Å
154	G	86.8	Confident	91.3	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	24%	0.237	C	C	.	.			trans	-83.8	-52.5	-177.7	0	0	0	0	0	112.7	Q152 K181 R440	Q152-G154 PolarHBondContact O-N 3.14Å; G154-K181 WeakPolarHBondContact O-CD 3.44Å; G154-K181 WeakPolarHBondContact O-CE 3.38Å; G154-K181 PolarHBondContact O-NZ 3.35Å; G154-R440 PolarHBondContact N-O 2.96Å
155	D	86.9	Confident	91.4	Very high	19 Å²	19	39.5 Å²	39.5	10%	0.102	22%	0.215	C	C	.	.			trans	-155.2	173.7	-172.5	-167.2	29.5	0	0	0	113.9	R157 L159 S177 S179 K181 R440	D155-R157 VanDerWaalsContact C-N 3.28Å; D155-L159 HydrophobicContact CB-CD2 4.08Å; D155-S177 WeakPolarHBondContact OD2-CB 3.31Å; D155-S177 PolarHBondContact OD2-OG 3.3Å; D155-S179 PolarHBondContact OD2-OG 2.99Å; D155-K181 IonicContact OD1-NZ 3.97Å; D155-K181 PolarHBondContact OD1-NZ 3Å; D155-K181 VanDerWaalsContact OD1-NZ 3.17Å; D155-R440 WeakPolarHBondContact O-CB 3.28Å
156	T	90.7	Very high	91.3	Very high	108 Å²	108	39.3 Å²	39.3	66%	0.663	21%	0.213	S	C	*	.	S	Bend	trans	-69	-28.5	174.8	59.3	0	0	0	0	112.7	R440	T156-R440 WeakPolarHBondContact O-CD 3.18Å
157	R	93	Very high	91.1	Very high	123 Å²	123	41.7 Å²	41.7	46%	0.464	23%	0.226	S	C	.	.	S	Bend	trans	-107.6	160.5	177	-72.9	-171.6	175.5	-170.1	1.1	111.5	D155 W176 N200	D155-R157 VanDerWaalsContact C-N 3.28Å; R157-W176 HydrophobicContact CB-CB 4.04Å; R157-W176 VanDerWaalsContact CD-C 3.44Å; R157-W176 WeakPolarHBondContact CD-O 3.39Å; R157-W176 PolarHBondContact NH1-O 2.94Å; R157-N200 PolarHBondContact NH1-OD1 2.93Å; R157-N200 VanDerWaalsContact NH1-OD1 3.13Å
158	P	93.5	Very high	90.8	Very high	18 Å²	18	40.7 Å²	40.7	12%	0.117	22%	0.219	C	C	.	.			trans	-51.1	147.5	176.4	-31	37.9	0	0	0	113.5	W176 F438	P158-W176 HydrophobicContact CB-CD2 4.22Å; P158-W176 HydrophobicContact CB-CE3 4.24Å; P158-W176 HydrophobicContact CG-CE3 4.16Å; P158-W176 PolarHBondContact O-N 3.4Å; P158-F438 HydrophobicContact CB-CD2 3.66Å; P158-F438 HydrophobicContact CB-CE2 3.91Å; P158-F438 HydrophobicContact CB-CG 4.17Å; P158-F438 HydrophobicContact CG-CD1 4.26Å; P158-F438 HydrophobicContact CG-CD2 3.67Å; P158-F438 HydrophobicContact CG-CE1 4.1Å; P158-F438 HydrophobicContact CG-CE2 3.49Å; P158-F438 VanDerWaalsContact CG-CE2 3.49Å; P158-F438 HydrophobicContact CG-CG 4.05Å; P158-F438 HydrophobicContact CG-CZ 3.72Å
159	L	94	Very high	90.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.2	174.7	-59.6	176.6	0	0	0	109.6	D155 A174 M422 T436 S437 V442	D155-L159 HydrophobicContact CB-CD2 4.08Å; L159-A174 CarbonylContact C-O 3.59Å; L159-A174 WeakPolarHBondContact CA-O 3.38Å; L159-M422 VanDerWaalsContact O-CB 3.27Å; L159-M422 WeakPolarHBondContact O-CB 3.19Å; L159-M422 VanDerWaalsContact O-CG 3.31Å; L159-M422 WeakPolarHBondContact O-CG 3.25Å; L159-T436 HydrophobicContact CB-CG2 3.91Å; L159-T436 HydrophobicContact CD1-CG2 3.93Å; L159-S437 PolarHBondContact N-O 2.72Å; L159-V442 HydrophobicContact CD1-CG2 3.33Å
160	A	93.1	Very high	90.7	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-33.9	-175.9	0	0	0	0	0	113.4	A174 A201	A160-A174 PolarHBondContact N-O 2.95Å; A160-A201 VanDerWaalsContact CB-O 3.3Å; A160-A201 WeakPolarHBondContact CB-O 3.24Å
161	Y	94.9	Very high	90.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.1	-169.2	-150.5	-100.2	0	0	0	112.4	D163 T173 A174 C203 I204 R205 R254 K380 C423	Y161-D163 HydrophobicContact CE1-CB 4.37Å; Y161-T173 WeakPolarHBondContact O-CA 3.49Å; Y161-A174 PolarHBondContact O-N 3.41Å; Y161-C203 VanDerWaalsContact CD1-SG 3.59Å; Y161-C203 VanDerWaalsContact CE1-SG 3.59Å; Y161-C203 HydrophobicContact CG-CB 4.36Å; Y161-I204 HydrophobicContact CD1-CG2 4.19Å; Y161-I204 WeakPolarHBondContact CD1-O 3.13Å; Y161-I204 VanDerWaalsContact CE1-O 3.32Å; Y161-I204 WeakPolarHBondContact CE1-O 3.42Å; Y161-R205 PolarHBondContact OH-NE 3.23Å; Y161-R205 PolarHBondContact OH-NH1 2.75Å; Y161-R205 PolarHBondContact OH-NH2 2.48Å; Y161-R254 VanDerWaalsContact CD2-CZ 3.46Å; Y161-K380 HydrophobicContact CE2-CD 4.17Å; Y161-K380 VanDerWaalsContact OH-CE 3.25Å; Y161-K380 WeakPolarHBondContact OH-CE 3.5Å; Y161-C423 HydrophobicContact CD2-CB 3.86Å; Y161-C423 WeakPolarHBondContact CD2-SG 3.32Å; Y161-C423 HydrophobicContact CE2-CB 4.32Å; Y161-C423 WeakPolarHBondContact CE2-SG 3.42Å; Y161-C423 HydrophobicContact CG-CB 4.34Å
162	C	93.9	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.1	168.6	53.4	0	0	0	0	110.4	I171 A172 T173 T436	C162-I171 HydrophobicContact CB-CG2 4.45Å; C162-A172 CarbonylContact C-O 3.56Å; C162-A172 VanDerWaalsContact CA-O 3.24Å; C162-A172 WeakPolarHBondContact CA-O 3.33Å; C162-T173 HydrophobicContact CB-CG2 4.34Å; C162-T436 HydrophobicContact CB-CG2 3.57Å
163	D	94.5	Very high	91.1	Very high	21 Å²	21	34.8 Å²	34.8	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.7	174.8	-156.7	40.9	0	0	0	109.6	Y161 I171 A172 R205 F206	Y161-D163 HydrophobicContact CE1-CB 4.37Å; D163-I171 CarbonylContact O-C 3.45Å; D163-I171 WeakPolarHBondContact O-CA 3.38Å; D163-A172 PolarHBondContact N-O 3.05Å; D163-A172 PolarHBondContact O-N 3.08Å; D163-R205 IonicContact OD1-CZ 3.99Å; D163-R205 IonicContact OD1-NH1 3.86Å; D163-R205 PolarHBondContact OD1-NH1 3.17Å; D163-R205 VanDerWaalsContact OD2-CA 3.27Å; D163-R205 WeakPolarHBondContact OD2-CA 3.47Å; D163-R205 WeakPolarHBondContact OD2-CD 3.26Å; D163-F206 HydrophobicContact CB-CD2 4.18Å; D163-F206 WeakPolarHBondContact O-CE2 3.26Å; D163-F206 PolarHBondContact OD2-N 2.51Å
164	F	92.9	Very high	91.2	Very high	10 Å²	10	30.4 Å²	30.4	4%	0.044	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	146.2	174.2	-82.2	-83.7	0	0	0	110.4	I171 V185 F206 A425 I426 W432 A434 L444	F164-I171 HydrophobicContact CD1-CD1 3.99Å; F164-I171 HydrophobicContact CD1-CG1 3.4Å; F164-I171 VanDerWaalsContact CD1-CG1 3.4Å; F164-I171 HydrophobicContact CE1-CD1 3.37Å; F164-I171 HydrophobicContact CE1-CG1 3.36Å; F164-I171 HydrophobicContact CG-CG1 4.15Å; F164-I171 HydrophobicContact CZ-CD1 3.75Å; F164-I171 HydrophobicContact CZ-CG1 4.04Å; F164-V185 HydrophobicContact CE1-CG2 4.1Å; F164-F206 VanDerWaalsContact O-CD2 3.27Å; F164-F206 WeakPolarHBondContact O-CD2 3.3Å; F164-A425 HydrophobicContact CD2-CB 3.7Å; F164-A425 HydrophobicContact CE2-CB 4.09Å; F164-A425 WeakPolarHBondContact CE2-O 3.47Å; F164-I426 VanDerWaalsContact CD2-C 3.49Å; F164-W432 HydrophobicContact CE1-CB 4.09Å; F164-W432 HydrophobicContact CZ-CB 3.86Å; F164-A434 HydrophobicContact CD2-CB 4.3Å; F164-A434 HydrophobicContact CE1-CB 4.47Å; F164-A434 HydrophobicContact CE2-CB 3.34Å; F164-A434 HydrophobicContact CZ-CB 3.44Å; F164-A434 VanDerWaalsContact CZ-CB 3.44Å; F164-L444 HydrophobicContact CZ-CD2 4.45Å
165	S	91	Very high	91.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.			trans	-67.2	152.1	167.7	59.7	0	0	0	0	110.9	D167 S168 R169 M170	S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 3.28Å; S165-D167 VanDerWaalsContact O-N 3.17Å; S165-D167 PolarHBondContact OG-OD1 3.47Å; S165-S168 WeakPolarHBondContact O-CA 3.31Å; S165-S168 PolarHBondContact O-N 2.75Å; S165-R169 PolarHBondContact OG-N 3.25Å; S165-M170 PolarHBondContact N-O 3.18Å; S165-M170 PolarHBondContact OG-N 2.94Å; S165-M170 PolarHBondContact OG-O 3.02Å; S165-M170 VanDerWaalsContact OG-O 3.12Å
166	P	86.3	Confident	91.7	Very high	44 Å²	44	32.6 Å²	32.6	29%	0.286	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.5	177.7	-27.5	34.2	0	0	0	114.4	S168 H207 P208 V210	P166-S168 VanDerWaalsContact C-N 3.3Å; P166-H207 WeakPolarHBondContact CG-O 3.38Å; P166-P208 WeakPolarHBondContact CB-O 3.32Å; P166-P208 WeakPolarHBondContact CG-O 3.25Å; P166-V210 HydrophobicContact CG-CB 4.22Å; P166-V210 HydrophobicContact CG-CG2 4.44Å
167	D	84.8	Confident	91.7	Very high	50 Å²	50	29.5 Å²	29.5	27%	0.267	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.5	177.6	69.2	-13.9	0	0	0	113.9	S165 R169	S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 3.28Å; S165-D167 VanDerWaalsContact O-N 3.17Å; S165-D167 PolarHBondContact OG-OD1 3.47Å; D167-R169 HydrophobicContact CB-CG 4.45Å; D167-R169 PolarHBondContact O-N 2.99Å; D167-R169 VanDerWaalsContact O-N 3.08Å; D167-R169 PolarHBondContact OD1-N 3.23Å; D167-R169 WeakPolarHBondContact OD2-CD 3.2Å
168	S	85.8	Confident	91.4	Very high	18 Å²	18	23.8 Å²	23.8	13%	0.126	12%	0.118	C	C	.	.	S	Bend	trans	56.3	12.2	-176.3	70.7	0	0	0	0	116.7	S165 P166 N429	S165-S168 WeakPolarHBondContact O-CA 3.31Å; S165-S168 PolarHBondContact O-N 2.75Å; P166-S168 VanDerWaalsContact C-N 3.3Å; S168-N429 PolarHBondContact OG-ND2 3.43Å
169	R	87.4	Confident	91.2	Very high	160 Å²	160	23.3 Å²	23.3	60%	0.604	12%	0.115	S	C	*	.	S	Bend	trans	-86.6	-20.4	-179.8	-64.2	-177.8	-178.1	171.5	-2.1	113.8	S165 D167 T184 V185	S165-R169 PolarHBondContact OG-N 3.25Å; D167-R169 HydrophobicContact CB-CG 4.45Å; D167-R169 PolarHBondContact O-N 2.99Å; D167-R169 VanDerWaalsContact O-N 3.08Å; D167-R169 PolarHBondContact OD1-N 3.23Å; D167-R169 WeakPolarHBondContact OD2-CD 3.2Å; R169-T184 CarbonylContact O-C 3.54Å; R169-V185 PolarHBondContact O-N 2.74Å
170	M	90.4	Very high	91	Very high	56 Å²	56	23.3 Å²	23.3	28%	0.276	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.2	-176.9	-55.2	-171.1	-163.2	0	0	111.9	S165 V182 W183 F206 L235	S165-M170 PolarHBondContact N-O 3.18Å; S165-M170 PolarHBondContact OG-N 2.94Å; S165-M170 PolarHBondContact OG-O 3.02Å; S165-M170 VanDerWaalsContact OG-O 3.12Å; M170-V182 HydrophobicContact CB-CG1 4.08Å; M170-V182 HydrophobicContact CG-CG1 4.5Å; M170-V182 HydrophobicContact SD-CG1 3.99Å; M170-W183 CarbonylContact C-O 3.57Å; M170-W183 WeakPolarHBondContact CA-O 3.1Å; M170-F206 HydrophobicContact CB-CZ 4.24Å; M170-L235 HydrophobicContact SD-CD1 4.1Å
171	I	93.3	Very high	91	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.7	171	-68	165.7	0	0	0	108.3	C162 D163 F164 T173 V182 W183 V185 A434 L444	C162-I171 HydrophobicContact CB-CG2 4.45Å; D163-I171 CarbonylContact O-C 3.45Å; D163-I171 WeakPolarHBondContact O-CA 3.38Å; F164-I171 HydrophobicContact CD1-CD1 3.99Å; F164-I171 HydrophobicContact CD1-CG1 3.4Å; F164-I171 VanDerWaalsContact CD1-CG1 3.4Å; F164-I171 HydrophobicContact CE1-CD1 3.37Å; F164-I171 HydrophobicContact CE1-CG1 3.36Å; F164-I171 HydrophobicContact CG-CG1 4.15Å; F164-I171 HydrophobicContact CZ-CD1 3.75Å; F164-I171 HydrophobicContact CZ-CG1 4.04Å; I171-T173 HydrophobicContact CG2-CG2 4.01Å; I171-V182 CarbonylContact O-C 3.58Å; I171-V182 VanDerWaalsContact O-CA 3.31Å; I171-V182 WeakPolarHBondContact O-CA 3.46Å; I171-W183 HydrophobicContact CB-CB 4.49Å; I171-W183 PolarHBondContact N-O 2.88Å; I171-W183 PolarHBondContact O-N 2.96Å; I171-V185 HydrophobicContact CB-CG2 4.43Å; I171-V185 HydrophobicContact CD1-CG2 3.35Å; I171-V185 HydrophobicContact CG1-CG2 3.45Å; I171-V185 VanDerWaalsContact CG1-CG2 3.45Å; I171-A434 HydrophobicContact CD1-CB 4.07Å; I171-L444 HydrophobicContact CD1-CD1 4.4Å; I171-L444 HydrophobicContact CD1-CD2 3.29Å; I171-L444 HydrophobicContact CD1-CG 4.43Å
172	A	92.9	Very high	90.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.9	170.7	0	0	0	0	0	109.4	C162 D163 K181 V182 I204 F206	C162-A172 CarbonylContact C-O 3.56Å; C162-A172 VanDerWaalsContact CA-O 3.24Å; C162-A172 WeakPolarHBondContact CA-O 3.33Å; D163-A172 PolarHBondContact N-O 3.05Å; D163-A172 PolarHBondContact O-N 3.08Å; A172-K181 CarbonylContact C-O 3.59Å; A172-K181 WeakPolarHBondContact CA-O 3.3Å; A172-V182 HydrophobicContact CB-CG2 4.37Å; A172-I204 HydrophobicContact CB-CD1 3.69Å; A172-I204 HydrophobicContact CB-CG1 3.81Å; A172-I204 HydrophobicContact CB-CG2 4.11Å; A172-F206 HydrophobicContact CB-CD2 4.16Å; A172-F206 HydrophobicContact CB-CE1 4.38Å; A172-F206 HydrophobicContact CB-CE2 3.36Å; A172-F206 HydrophobicContact CB-CZ 3.49Å; A172-F206 VanDerWaalsContact CB-CZ 3.49Å; A172-F206 VanDerWaalsContact N-CE2 3.35Å
173	T	94.4	Very high	90.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.5	179.8	58	0	0	0	0	110.1	Y161 C162 I171 C180 K181 W183 T436 V442	Y161-T173 WeakPolarHBondContact O-CA 3.49Å; C162-T173 HydrophobicContact CB-CG2 4.34Å; I171-T173 HydrophobicContact CG2-CG2 4.01Å; T173-C180 CarbonylContact O-C 3.53Å; T173-C180 WeakPolarHBondContact O-CA 3.42Å; T173-K181 PolarHBondContact N-O 3.24Å; T173-K181 PolarHBondContact O-N 3.28Å; T173-K181 PolarHBondContact OG1-O 2.87Å; T173-W183 PolarHBondContact OG1-NE1 3.27Å; T173-T436 HydrophobicContact CG2-CG2 4.3Å; T173-V442 HydrophobicContact CG2-CG1 4.49Å; T173-V442 HydrophobicContact CG2-CG2 3.76Å
174	A	93.9	Very high	90.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.8	175.6	0	0	0	0	0	109.7	L159 A160 Y161 A201 I204	L159-A174 CarbonylContact C-O 3.59Å; L159-A174 WeakPolarHBondContact CA-O 3.38Å; A160-A174 PolarHBondContact N-O 2.95Å; Y161-A174 PolarHBondContact O-N 3.41Å; A174-A201 HydrophobicContact CB-CB 4.01Å; A174-I204 HydrophobicContact CB-CB 4.17Å; A174-I204 HydrophobicContact CB-CG2 3.96Å
175	G	92.6	Very high	90.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	151.7	176.7	0	0	0	0	0	112.6	S177 G178 S179 A201	G175-S177 PolarHBondContact O-N 2.63Å; G175-G178 PolarHBondContact O-N 3.19Å; G175-G178 VanDerWaalsContact O-N 3.08Å; G175-S179 PolarHBondContact N-O 2.85Å; G175-A201 WeakPolarHBondContact O-CB 3.33Å; G175-A201 PolarHBondContact O-N 2.86Å
176	W	92.7	Very high	89.9	Confident	67 Å²	67	27.7 Å²	27.7	25%	0.254	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	4.6	173.7	-70.8	3.7	0	0	0	114.2	R157 P158 G178 N200 M422 F438	R157-W176 HydrophobicContact CB-CB 4.04Å; R157-W176 VanDerWaalsContact CD-C 3.44Å; R157-W176 WeakPolarHBondContact CD-O 3.39Å; R157-W176 PolarHBondContact NH1-O 2.94Å; P158-W176 HydrophobicContact CB-CD2 4.22Å; P158-W176 HydrophobicContact CB-CE3 4.24Å; P158-W176 HydrophobicContact CG-CE3 4.16Å; P158-W176 PolarHBondContact O-N 3.4Å; W176-G178 VanDerWaalsContact C-N 3.28Å; W176-N200 HydrophobicContact CB-CB 3.99Å; W176-N200 HydrophobicContact CG-CB 4.07Å; W176-N200 PolarHBondContact O-OD1 3.4Å; W176-M422 HydrophobicContact CZ2-CE 4.04Å; W176-F438 HydrophobicContact CE3-CE2 4.47Å; W176-F438 HydrophobicContact CH2-CD2 4.42Å; W176-F438 AromaticContact CH2-CE2 3.76Å; W176-F438 HydrophobicContact CH2-CE2 3.76Å; W176-F438 AromaticContact CZ3-CE2 3.67Å; W176-F438 HydrophobicContact CZ3-CE2 3.67Å; W176-F438 HydrophobicContact CZ3-CZ 4.4Å
177	S	89.7	Confident	89.7	Confident	42 Å²	42	30.5 Å²	30.5	29%	0.294	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.1	166.7	59.5	0	0	0	0	113.3	D155 G175 S179	D155-S177 WeakPolarHBondContact OD2-CB 3.31Å; D155-S177 PolarHBondContact OD2-OG 3.3Å; G175-S177 PolarHBondContact O-N 2.63Å; S177-S179 VanDerWaalsContact C-N 3.27Å; S177-S179 PolarHBondContact OG-N 3.38Å; S177-S179 PolarHBondContact OG-OG 3.42Å
178	G	86.9	Confident	89.6	Confident	3 Å²	3	28.4 Å²	28.4	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	87.1	-4.6	-169.3	0	0	0	0	0	113.3	G175 W176 H197 S199	G175-G178 PolarHBondContact O-N 3.19Å; G175-G178 VanDerWaalsContact O-N 3.08Å; W176-G178 VanDerWaalsContact C-N 3.28Å; G178-H197 WeakPolarHBondContact O-CB 3.21Å; G178-S199 WeakPolarHBondContact CA-O 3.32Å; G178-S199 PolarHBondContact N-O 3Å
179	S	89.5	Confident	89.8	Confident	9 Å²	9	33 Å²	33	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134	172.3	66.4	0	0	0	0	111.5	D155 G175 S177 E193	D155-S179 PolarHBondContact OD2-OG 2.99Å; G175-S179 PolarHBondContact N-O 2.85Å; S177-S179 VanDerWaalsContact C-N 3.27Å; S177-S179 PolarHBondContact OG-N 3.38Å; S177-S179 PolarHBondContact OG-OG 3.42Å; S179-E193 VanDerWaalsContact CB-OE1 3.27Å; S179-E193 WeakPolarHBondContact CB-OE1 3.23Å
180	C	90.4	Very high	89.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.2	170	-74.9	0	0	0	0	108.8	T173 L194 I204	T173-C180 CarbonylContact O-C 3.53Å; T173-C180 WeakPolarHBondContact O-CA 3.42Å; C180-L194 HydrophobicContact CB-CB 3.99Å; C180-L194 HydrophobicContact CB-CD1 4.38Å; C180-L194 PolarHBondContact N-O 2.76Å; C180-L194 WeakPolarHBondContact O-CA 3.25Å; C180-L194 WeakPolarHBondContact O-CB 3.48Å; C180-L194 PolarHBondContact O-N 3.25Å; C180-I204 HydrophobicContact CB-CD1 3.61Å
181	K	92.1	Very high	89.8	Confident	26 Å²	26	29.7 Å²	29.7	11%	0.113	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.3	-174.9	-70	175.4	-168.3	176.8	0	110.8	G154 D155 A172 T173 W183 L190 R192 E193	G154-K181 WeakPolarHBondContact O-CD 3.44Å; G154-K181 WeakPolarHBondContact O-CE 3.38Å; G154-K181 PolarHBondContact O-NZ 3.35Å; D155-K181 IonicContact OD1-NZ 3.97Å; D155-K181 PolarHBondContact OD1-NZ 3Å; D155-K181 VanDerWaalsContact OD1-NZ 3.17Å; A172-K181 CarbonylContact C-O 3.59Å; A172-K181 WeakPolarHBondContact CA-O 3.3Å; T173-K181 PolarHBondContact N-O 3.24Å; T173-K181 PolarHBondContact O-N 3.28Å; T173-K181 PolarHBondContact OG1-O 2.87Å; K181-W183 HydrophobicContact CB-CZ2 3.87Å; K181-W183 HydrophobicContact CD-CH2 4.42Å; K181-W183 HydrophobicContact CD-CZ2 3.86Å; K181-W183 HydrophobicContact CG-CZ2 4.48Å; K181-L190 HydrophobicContact CB-CD1 3.68Å; K181-L190 HydrophobicContact CD-CD1 4.06Å; K181-L190 HydrophobicContact CG-CD1 3.91Å; K181-R192 WeakPolarHBondContact CA-O 3.13Å; K181-E193 WeakPolarHBondContact CE-OE1 3.43Å; K181-E193 HydrophobicContact CG-CB 4.24Å; K181-E193 HydrophobicContact CG-CG 3.88Å; K181-E193 IonicContact NZ-OE1 3.48Å
182	V	92.4	Very high	89.4	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.7	176	-176.7	0	0	0	0	108.9	M170 I171 A172 V191 R192 L194 F206 L235	M170-V182 HydrophobicContact CB-CG1 4.08Å; M170-V182 HydrophobicContact CG-CG1 4.5Å; M170-V182 HydrophobicContact SD-CG1 3.99Å; I171-V182 CarbonylContact O-C 3.58Å; I171-V182 VanDerWaalsContact O-CA 3.31Å; I171-V182 WeakPolarHBondContact O-CA 3.46Å; A172-V182 HydrophobicContact CB-CG2 4.37Å; V182-V191 HydrophobicContact CG1-CB 4.43Å; V182-V191 WeakPolarHBondContact O-CB 2.98Å; V182-V191 PolarHBondContact O-N 2.81Å; V182-R192 PolarHBondContact N-O 3.33Å; V182-R192 PolarHBondContact O-N 3.23Å; V182-L194 HydrophobicContact CG2-CD1 4.34Å; V182-F206 HydrophobicContact CG1-CZ 4.47Å; V182-L235 HydrophobicContact CG1-CD2 4.38Å; V182-L235 HydrophobicContact CG2-CD2 3.98Å
183	W	92.7	Very high	89.2	Confident	12 Å²	12	36.8 Å²	36.8	5%	0.045	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.3	-174.6	-50.4	87.3	0	0	0	110.3	Q152 V153 M170 I171 T173 K181 E189 L190	Q152-W183 HydrophobicContact CG-CE3 4.06Å; Q152-W183 HydrophobicContact CG-CH2 4.13Å; Q152-W183 HydrophobicContact CG-CZ3 3.62Å; V153-W183 WeakPolarHBondContact O-CH2 3.47Å; M170-W183 CarbonylContact C-O 3.57Å; M170-W183 WeakPolarHBondContact CA-O 3.1Å; I171-W183 HydrophobicContact CB-CB 4.49Å; I171-W183 PolarHBondContact N-O 2.88Å; I171-W183 PolarHBondContact O-N 2.96Å; T173-W183 PolarHBondContact OG1-NE1 3.27Å; K181-W183 HydrophobicContact CB-CZ2 3.87Å; K181-W183 HydrophobicContact CD-CH2 4.42Å; K181-W183 HydrophobicContact CD-CZ2 3.86Å; K181-W183 HydrophobicContact CG-CZ2 4.48Å; W183-E189 CarbonylContact C-O 3.6Å; W183-E189 VanDerWaalsContact CA-O 3.26Å; W183-E189 WeakPolarHBondContact CA-O 3.15Å; W183-L190 HydrophobicContact CD2-CD1 4.24Å; W183-L190 HydrophobicContact CE3-CB 4.03Å; W183-L190 HydrophobicContact CE3-CD1 4.16Å; W183-L190 HydrophobicContact CH2-CB 4.47Å; W183-L190 HydrophobicContact CH2-CD1 4Å; W183-L190 HydrophobicContact CZ2-CD1 4.03Å; W183-L190 HydrophobicContact CZ3-CB 3.84Å; W183-L190 HydrophobicContact CZ3-CD1 4.06Å
184	T	91.8	Very high	88.8	Confident	42 Å²	42	36.9 Å²	36.9	26%	0.258	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	152	168.7	60.7	0	0	0	0	111.4	R169 C188 E189 V191	R169-T184 CarbonylContact O-C 3.54Å; T184-C188 WeakPolarHBondContact O-CA 3.21Å; T184-C188 PolarHBondContact O-N 2.88Å; T184-E189 PolarHBondContact N-O 3.4Å; T184-E189 WeakPolarHBondContact OG1-CB 3.48Å; T184-E189 PolarHBondContact OG1-N 3.24Å; T184-E189 VanDerWaalsContact OG1-N 3.1Å; T184-E189 PolarHBondContact OG1-O 3.02Å; T184-V191 HydrophobicContact CG2-CG2 3.22Å
185	V	86.6	Confident	88.3	Confident	18 Å²	18	45.2 Å²	45.2	11%	0.109	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	129.9	171	-176.9	0	0	0	0	107.1	F164 R169 I171 W432 L444	F164-V185 HydrophobicContact CE1-CG2 4.1Å; R169-V185 PolarHBondContact O-N 2.74Å; I171-V185 HydrophobicContact CB-CG2 4.43Å; I171-V185 HydrophobicContact CD1-CG2 3.35Å; I171-V185 HydrophobicContact CG1-CG2 3.45Å; I171-V185 VanDerWaalsContact CG1-CG2 3.45Å; V185-W432 HydrophobicContact CG1-CD2 4.05Å; V185-W432 HydrophobicContact CG1-CG 4.15Å; V185-L444 HydrophobicContact CG1-CD1 4.37Å
186	P	82.4	Confident	87.6	Confident	29 Å²	29	46.4 Å²	46.4	19%	0.188	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95	-10.8	13.7	35.8	-36.3	0	0	0	116.2	Y149 C188 W432 T452	Y149-P186 HydrophobicContact CE1-CB 4.15Å; P186-C188 VanDerWaalsContact C-N 3.26Å; P186-C188 PolarHBondContact O-N 2.78Å; P186-W432 HydrophobicContact CB-CH2 3.57Å; P186-W432 HydrophobicContact CB-CZ2 3.76Å; P186-W432 HydrophobicContact CB-CZ3 4.28Å; P186-T452 HydrophobicContact CG-CG2 3.97Å
187	N	81.1	Confident	87.2	Confident	103 Å²	103	43.9 Å²	43.9	55%	0.551	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.6	-169.7	-67.6	0.1	0	0	0	114.6	E189	N187-E189 HydrophobicContact CB-CG 3.99Å; N187-E189 WeakPolarHBondContact CB-OE1 3.34Å; N187-E189 PolarHBondContact ND2-OE1 3.44Å; N187-E189 VanDerWaalsContact ND2-OE1 3.17Å; N187-E189 PolarHBondContact O-N 2.93Å
188	C	83.3	Confident	87	Confident	7 Å²	7	47 Å²	47	5%	0.047	24%	0.24	C	C	.	.			trans	55.9	34.4	-174.8	-66.7	0	0	0	0	113.5	Q152 T184 P186 L444	Q152-C188 HydrophobicContact CB-CB 4.05Å; Q152-C188 HydrophobicContact CG-CB 4.3Å; T184-C188 WeakPolarHBondContact O-CA 3.21Å; T184-C188 PolarHBondContact O-N 2.88Å; P186-C188 VanDerWaalsContact C-N 3.26Å; P186-C188 PolarHBondContact O-N 2.78Å; C188-L444 WeakPolarHBondContact SG-CD1 3.49Å
189	E	88.8	Confident	87	Confident	113 Å²	113	47.9 Å²	47.9	53%	0.528	25%	0.246	S	C	.	.			trans	-81.1	138.4	175.2	-67.6	167.7	-153	0	0	109.8	W183 T184 N187 V191	W183-E189 CarbonylContact C-O 3.6Å; W183-E189 VanDerWaalsContact CA-O 3.26Å; W183-E189 WeakPolarHBondContact CA-O 3.15Å; T184-E189 PolarHBondContact N-O 3.4Å; T184-E189 WeakPolarHBondContact OG1-CB 3.48Å; T184-E189 PolarHBondContact OG1-N 3.24Å; T184-E189 VanDerWaalsContact OG1-N 3.1Å; T184-E189 PolarHBondContact OG1-O 3.02Å; N187-E189 HydrophobicContact CB-CG 3.99Å; N187-E189 WeakPolarHBondContact CB-OE1 3.34Å; N187-E189 PolarHBondContact ND2-OE1 3.44Å; N187-E189 VanDerWaalsContact ND2-OE1 3.17Å; N187-E189 PolarHBondContact O-N 2.93Å; E189-V191 PolarHBondContact O-N 2.87Å
190	L	89.3	Confident	87.1	Confident	86 Å²	86	49.4 Å²	49.4	45%	0.45	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	115	177.6	-177.6	72.9	0	0	0	109.2	K181 W183	K181-L190 HydrophobicContact CB-CD1 3.68Å; K181-L190 HydrophobicContact CD-CD1 4.06Å; K181-L190 HydrophobicContact CG-CD1 3.91Å; W183-L190 HydrophobicContact CD2-CD1 4.24Å; W183-L190 HydrophobicContact CE3-CB 4.03Å; W183-L190 HydrophobicContact CE3-CD1 4.16Å; W183-L190 HydrophobicContact CH2-CB 4.47Å; W183-L190 HydrophobicContact CH2-CD1 4Å; W183-L190 HydrophobicContact CZ2-CD1 4.03Å; W183-L190 HydrophobicContact CZ3-CB 3.84Å; W183-L190 HydrophobicContact CZ3-CD1 4.06Å
191	V	88	Confident	87.1	Confident	62 Å²	62	49.4 Å²	49.4	38%	0.376	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-56.5	173.6	-176.9	0	0	0	0	108.9	V182 T184 E189	V182-V191 HydrophobicContact CG1-CB 4.43Å; V182-V191 WeakPolarHBondContact O-CB 2.98Å; V182-V191 PolarHBondContact O-N 2.81Å; T184-V191 HydrophobicContact CG2-CG2 3.22Å; E189-V191 PolarHBondContact O-N 2.87Å
192	R	85.3	Confident	87	Confident	101 Å²	101	48.2 Å²	48.2	38%	0.381	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.2	-174	-75	-177.7	-164.6	-123.8	11.6	112.7	K181 V182 L235 K236	K181-R192 WeakPolarHBondContact CA-O 3.13Å; V182-R192 PolarHBondContact N-O 3.33Å; V182-R192 PolarHBondContact O-N 3.23Å; R192-L235 WeakPolarHBondContact CD-O 3.39Å; R192-L235 VanDerWaalsContact CZ-O 3.24Å; R192-L235 PolarHBondContact NE-O 2.9Å; R192-K236 PolarHBondContact NH1-O 2.94Å
193	E	88.6	Confident	87.1	Confident	50 Å²	50	48.2 Å²	48.2	23%	0.234	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115	170.8	-172.9	176.7	-154.4	0	0	109.5	S179 K181 R195	S179-E193 VanDerWaalsContact CB-OE1 3.27Å; S179-E193 WeakPolarHBondContact CB-OE1 3.23Å; K181-E193 WeakPolarHBondContact CE-OE1 3.43Å; K181-E193 HydrophobicContact CG-CB 4.24Å; K181-E193 HydrophobicContact CG-CG 3.88Å; K181-E193 IonicContact NZ-OE1 3.48Å; E193-R195 HydrophobicContact CG-CG 3.9Å; E193-R195 PolarHBondContact O-N 2.91Å; E193-R195 IonicContact OE1-NE 3.97Å; E193-R195 IonicContact OE2-CZ 3.1Å; E193-R195 VanDerWaalsContact OE2-CZ 3.23Å; E193-R195 IonicContact OE2-NE 2.72Å; E193-R195 PolarHBondContact OE2-NE 2.93Å; E193-R195 IonicContact OE2-NH2 3.85Å; E193-R195 PolarHBondContact OE2-NH2 3.42Å
194	L	86.9	Confident	87.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.2	174.5	-55.1	172.9	0	0	0	107.7	C180 V182 V221 W233	C180-L194 HydrophobicContact CB-CB 3.99Å; C180-L194 HydrophobicContact CB-CD1 4.38Å; C180-L194 PolarHBondContact N-O 2.76Å; C180-L194 WeakPolarHBondContact O-CA 3.25Å; C180-L194 WeakPolarHBondContact O-CB 3.48Å; C180-L194 PolarHBondContact O-N 3.25Å; V182-L194 HydrophobicContact CG2-CD1 4.34Å; L194-V221 HydrophobicContact CD1-CG1 4.3Å; L194-W233 HydrophobicContact CB-CD2 4.04Å; L194-W233 HydrophobicContact CB-CE3 3.94Å; L194-W233 HydrophobicContact CB-CH2 4.23Å; L194-W233 HydrophobicContact CB-CZ2 4.34Å; L194-W233 HydrophobicContact CB-CZ3 4.02Å; L194-W233 HydrophobicContact CD1-CB 4.09Å; L194-W233 HydrophobicContact CD1-CD2 4.09Å; L194-W233 HydrophobicContact CD1-CG 3.87Å; L194-W233 HydrophobicContact CD2-CB 4.4Å; L194-W233 HydrophobicContact CD2-CD2 4.24Å; L194-W233 HydrophobicContact CD2-CE3 3.89Å; L194-W233 HydrophobicContact CD2-CG 4.47Å; L194-W233 HydrophobicContact CG-CD2 4.35Å; L194-W233 HydrophobicContact CG-CE3 4.33Å
195	R	83.4	Confident	87.2	Confident	175 Å²	175	48.1 Å²	48.1	66%	0.66	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104	120.2	179.4	-62.5	-175.4	-175.4	169.5	2.5	109.3	E193	E193-R195 HydrophobicContact CG-CG 3.9Å; E193-R195 PolarHBondContact O-N 2.91Å; E193-R195 IonicContact OE1-NE 3.97Å; E193-R195 IonicContact OE2-CZ 3.1Å; E193-R195 VanDerWaalsContact OE2-CZ 3.23Å; E193-R195 IonicContact OE2-NE 2.72Å; E193-R195 PolarHBondContact OE2-NE 2.93Å; E193-R195 IonicContact OE2-NH2 3.85Å; E193-R195 PolarHBondContact OE2-NH2 3.42Å
196	G	77.8	Confident	87.5	Confident	27 Å²	27	47.8 Å²	47.8	28%	0.278	24%	0.241	S	C	.	.			trans	-172.8	-21.8	171.3	0	0	0	0	0	114.7	K231	G196-K231 PolarHBondContact O-NZ 3.3Å
197	H	85.3	Confident	87.9	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.065	24%	0.236	C	C	.	.			trans	-75.4	139.1	173.7	-64.2	-55.6	0	0	0	111.1	G178 S223 D225 K231	G178-H197 WeakPolarHBondContact O-CB 3.21Å; H197-S223 WeakPolarHBondContact NE2-CB 3.36Å; H197-S223 PolarHBondContact NE2-OG 3.21Å; H197-D225 HydrophobicContact CB-CB 4.32Å; H197-D225 WeakPolarHBondContact CB-OD2 3.38Å; H197-D225 IonicContact CG-OD2 3.95Å; H197-D225 IonicContact ND1-OD2 3.87Å; H197-K231 WeakPolarHBondContact ND1-CE 3.26Å
198	T	83.5	Confident	88.1	Confident	106 Å²	106	44.5 Å²	44.5	65%	0.65	22%	0.223	S	C	*	.	S	Bend	trans	-88.2	-29.7	178.5	38.7	0	0	0	0	111.3	D227	T198-D227 PolarHBondContact OG1-OD2 3.13Å
199	S	87.7	Confident	87.9	Confident	22 Å²	22	47.4 Å²	47.4	15%	0.154	24%	0.238	C	C	.	.	S	Bend	trans	-117.1	-156.4	177.8	84.7	0	0	0	0	112.5	G178 A201 D225 D227	G178-S199 WeakPolarHBondContact CA-O 3.32Å; G178-S199 PolarHBondContact N-O 3Å; S199-A201 PolarHBondContact O-N 3.13Å; S199-D225 PolarHBondContact N-OD2 3.17Å; S199-D225 PolarHBondContact OG-OD1 3.43Å; S199-D225 PolarHBondContact OG-OD2 3.13Å; S199-D227 VanDerWaalsContact CB-CG 3.48Å; S199-D227 WeakPolarHBondContact CB-OD1 3.3Å; S199-D227 WeakPolarHBondContact CB-OD2 3.47Å; S199-D227 PolarHBondContact OG-N 3.5Å; S199-D227 PolarHBondContact OG-OD1 2.96Å; S199-D227 PolarHBondContact OG-OD2 2.95Å
200	N	91.4	Very high	87	Confident	41 Å²	41	42.8 Å²	42.8	22%	0.219	22%	0.218	C	C	.	.			trans	-80.7	107.2	-166.7	-55.3	-11.4	0	0	0	110.4	R157 W176 S202 D225 N226	R157-N200 PolarHBondContact NH1-OD1 2.93Å; R157-N200 VanDerWaalsContact NH1-OD1 3.13Å; W176-N200 HydrophobicContact CB-CB 3.99Å; W176-N200 HydrophobicContact CG-CB 4.07Å; W176-N200 PolarHBondContact O-OD1 3.4Å; N200-S202 PolarHBondContact O-N 3.07Å; N200-D225 PolarHBondContact N-OD1 3.07Å; N200-N226 PolarHBondContact O-N 3.11Å; N200-N226 PolarHBondContact O-OD1 3.46Å
201	A	91.4	Very high	85.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.			trans	-58.3	126.1	175	0	0	0	0	0	111.3	A160 A174 G175 S199 C224	A160-A201 VanDerWaalsContact CB-O 3.3Å; A160-A201 WeakPolarHBondContact CB-O 3.24Å; A174-A201 HydrophobicContact CB-CB 4.01Å; G175-A201 WeakPolarHBondContact O-CB 3.33Å; G175-A201 PolarHBondContact O-N 2.86Å; S199-A201 PolarHBondContact O-N 3.13Å; A201-C224 CarbonylContact C-O 3.5Å; A201-C224 WeakPolarHBondContact CA-O 3.35Å
202	S	90.3	Very high	84.3	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.234	C	C	.	.			trans	-100.1	-37.2	-171.2	58.8	0	0	0	0	113.2	N200 C224 V252 A253 R254	N200-S202 PolarHBondContact O-N 3.07Å; S202-C224 PolarHBondContact N-O 3.48Å; S202-C224 PolarHBondContact OG-O 3.42Å; S202-C224 PolarHBondContact OG-SG 3.48Å; S202-V252 PolarHBondContact OG-O 3.43Å; S202-A253 PolarHBondContact OG-O 3.05Å; S202-R254 PolarHBondContact O-NH1 2.81Å
203	C	92.6	Very high	83.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.3	179.8	-164.9	0	0	0	0	111.1	Y161 S223 C224	Y161-C203 VanDerWaalsContact CD1-SG 3.59Å; Y161-C203 VanDerWaalsContact CE1-SG 3.59Å; Y161-C203 HydrophobicContact CG-CB 4.36Å; C203-S223 VanDerWaalsContact O-CA 3.28Å; C203-S223 WeakPolarHBondContact O-CA 3.16Å; C203-C224 WeakPolarHBondContact CB-SG 3.46Å; C203-C224 PolarHBondContact N-SG 2.88Å; C203-C224 VanDerWaalsContact N-SG 3.4Å; C203-C224 PolarHBondContact O-N 3.23Å
204	I	93.9	Very high	81.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.6	171.5	-173.5	154.1	0	0	0	108.2	Y161 A172 A174 C180 V221 A222	Y161-I204 HydrophobicContact CD1-CG2 4.19Å; Y161-I204 WeakPolarHBondContact CD1-O 3.13Å; Y161-I204 VanDerWaalsContact CE1-O 3.32Å; Y161-I204 WeakPolarHBondContact CE1-O 3.42Å; A172-I204 HydrophobicContact CB-CD1 3.69Å; A172-I204 HydrophobicContact CB-CG1 3.81Å; A172-I204 HydrophobicContact CB-CG2 4.11Å; A174-I204 HydrophobicContact CB-CB 4.17Å; A174-I204 HydrophobicContact CB-CG2 3.96Å; C180-I204 HydrophobicContact CB-CD1 3.61Å; I204-V221 HydrophobicContact CD1-CG1 3.6Å; I204-V221 HydrophobicContact CG1-CG1 3.49Å; I204-V221 VanDerWaalsContact CG1-CG1 3.49Å; I204-A222 CarbonylContact C-O 3.48Å; I204-A222 VanDerWaalsContact CA-O 3.31Å; I204-A222 WeakPolarHBondContact CA-O 3.22Å
205	R	93.7	Very high	80.5	Confident	52 Å²	52	49 Å²	49	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.8	178.4	-71.5	-61.9	-161.5	165.9	14.1	110.8	Y161 D163 V221 A222 M255 F257	Y161-R205 PolarHBondContact OH-NE 3.23Å; Y161-R205 PolarHBondContact OH-NH1 2.75Å; Y161-R205 PolarHBondContact OH-NH2 2.48Å; D163-R205 IonicContact OD1-CZ 3.99Å; D163-R205 IonicContact OD1-NH1 3.86Å; D163-R205 PolarHBondContact OD1-NH1 3.17Å; D163-R205 VanDerWaalsContact OD2-CA 3.27Å; D163-R205 WeakPolarHBondContact OD2-CA 3.47Å; D163-R205 WeakPolarHBondContact OD2-CD 3.26Å; R205-V221 CarbonylContact O-C 3.52Å; R205-V221 WeakPolarHBondContact O-CA 3.26Å; R205-A222 PolarHBondContact N-O 3.14Å; R205-A222 PolarHBondContact O-N 2.77Å; R205-M255 WeakPolarHBondContact CG-O 3.44Å; R205-M255 PolarHBondContact NE-O 2.91Å; R205-F257 HydrophobicContact CB-CD2 3.84Å; R205-F257 HydrophobicContact CB-CE2 3.84Å
206	F	92.8	Very high	79.4	Confident	11 Å²	11	44.7 Å²	44.7	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	148.7	167.3	-75.4	-78.8	0	0	0	111.1	D163 F164 M170 A172 V182 V210 V221 L235 F257	D163-F206 HydrophobicContact CB-CD2 4.18Å; D163-F206 WeakPolarHBondContact O-CE2 3.26Å; D163-F206 PolarHBondContact OD2-N 2.51Å; F164-F206 VanDerWaalsContact O-CD2 3.27Å; F164-F206 WeakPolarHBondContact O-CD2 3.3Å; M170-F206 HydrophobicContact CB-CZ 4.24Å; A172-F206 HydrophobicContact CB-CD2 4.16Å; A172-F206 HydrophobicContact CB-CE1 4.38Å; A172-F206 HydrophobicContact CB-CE2 3.36Å; A172-F206 HydrophobicContact CB-CZ 3.49Å; A172-F206 VanDerWaalsContact CB-CZ 3.49Å; A172-F206 VanDerWaalsContact N-CE2 3.35Å; V182-F206 HydrophobicContact CG1-CZ 4.47Å; F206-V210 HydrophobicContact CB-CG2 4.39Å; F206-V210 HydrophobicContact CD1-CG2 4.22Å; F206-V221 HydrophobicContact CD1-CG2 3.51Å; F206-V221 HydrophobicContact CE1-CG2 3.52Å; F206-V221 HydrophobicContact CG-CG2 4.43Å; F206-V221 HydrophobicContact CZ-CG2 4.48Å; F206-L235 HydrophobicContact CE1-CD2 4.41Å; F206-F257 WeakPolarHBondContact O-CD2 3.44Å
207	H	90.7	Very high	78.9	Confident	21 Å²	21	47.7 Å²	47.7	10%	0.097	28%	0.279	C	S	.	.			trans	-64.9	143.6	167	-173.8	-86.5	0	0	0	109.4	P166 D209 V210 Q220 F257 G261	P166-H207 WeakPolarHBondContact CG-O 3.38Å; H207-D209 VanDerWaalsContact C-N 3.27Å; H207-D209 IonicContact CE1-OD2 3.25Å; H207-D209 PolarHBondContact ND1-N 3.31Å; H207-D209 PolarHBondContact O-N 3.18Å; H207-V210 HydrophobicContact CB-CG2 3.87Å; H207-V210 VanDerWaalsContact O-CG2 3.22Å; H207-V210 WeakPolarHBondContact O-CG2 3.42Å; H207-Q220 WeakPolarHBondContact CB-O 3.38Å; H207-Q220 PolarHBondContact N-O 3.14Å; H207-F257 HydrophobicContact CB-CZ 4.49Å; H207-G261 WeakPolarHBondContact NE2-CA 3.11Å; H207-G261 PolarHBondContact NE2-O 3.12Å
208	P	84.9	Confident	78.7	Confident	43 Å²	43	48.5 Å²	48.5	28%	0.279	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.6	-178.5	21.4	-32.8	0	0	0	113.5	P166	P166-P208 WeakPolarHBondContact CB-O 3.32Å; P166-P208 WeakPolarHBondContact CG-O 3.25Å
209	D	80	Confident	78.6	Confident	68 Å²	68	44.5 Å²	44.5	36%	0.364	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	27.6	-174.3	-58	-34.1	0	0	0	114.7	H207 A211 S212 M213	H207-D209 VanDerWaalsContact C-N 3.27Å; H207-D209 IonicContact CE1-OD2 3.25Å; H207-D209 PolarHBondContact ND1-N 3.31Å; H207-D209 PolarHBondContact O-N 3.18Å; D209-A211 PolarHBondContact O-N 2.67Å; D209-S212 PolarHBondContact O-N 3.05Å; D209-S212 VanDerWaalsContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 3.03Å; D209-S212 VanDerWaalsContact O-OG 3.13Å; D209-M213 HydrophobicContact CB-CG 4.42Å; D209-M213 WeakPolarHBondContact O-CG 3.5Å; D209-M213 PolarHBondContact O-N 2.92Å
210	V	69.6	Low	78.4	Confident	16 Å²	16	44.1 Å²	44.1	10%	0.097	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.8	-176.5	170.9	0	0	0	0	112.9	P166 F206 H207 S212 M213 Q220 L235	P166-V210 HydrophobicContact CG-CB 4.22Å; P166-V210 HydrophobicContact CG-CG2 4.44Å; F206-V210 HydrophobicContact CB-CG2 4.39Å; F206-V210 HydrophobicContact CD1-CG2 4.22Å; H207-V210 HydrophobicContact CB-CG2 3.87Å; H207-V210 VanDerWaalsContact O-CG2 3.22Å; H207-V210 WeakPolarHBondContact O-CG2 3.42Å; V210-S212 PolarHBondContact O-N 3.21Å; V210-M213 PolarHBondContact O-N 3.38Å; V210-Q220 HydrophobicContact CG1-CG 4.4Å; V210-Q220 HydrophobicContact CG2-CB 4.09Å; V210-Q220 HydrophobicContact CG2-CG 4.42Å; V210-Q220 WeakPolarHBondContact CG2-O 3.42Å; V210-L235 HydrophobicContact CG1-CD1 4.44Å
211	A	58.8	Low	78.3	Confident	67 Å²	67	42.2 Å²	42.2	55%	0.554	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.3	-175.7	0	0	0	0	0	114.4	D209	D209-A211 PolarHBondContact O-N 2.67Å
212	S	61.3	Low	78.3	Confident	88 Å²	88	42.2 Å²	42.2	62%	0.615	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-14.5	179.1	56.3	0	0	0	0	112.8	D209 V210	D209-S212 PolarHBondContact O-N 3.05Å; D209-S212 VanDerWaalsContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 3.03Å; D209-S212 VanDerWaalsContact O-OG 3.13Å; V210-S212 PolarHBondContact O-N 3.21Å
213	M	60.7	Low	78.5	Confident	74 Å²	74	42.1 Å²	42.1	37%	0.365	24%	0.244	S	C	.	.			trans	-105.8	76.5	-168.9	-63.7	-66.5	-179.3	0	0	111	D209 V210 S215 T218 Q220	D209-M213 HydrophobicContact CB-CG 4.42Å; D209-M213 WeakPolarHBondContact O-CG 3.5Å; D209-M213 PolarHBondContact O-N 2.92Å; V210-M213 PolarHBondContact O-N 3.38Å; M213-S215 VanDerWaalsContact C-N 3.35Å; M213-T218 HydrophobicContact CB-CG2 4.13Å; M213-T218 HydrophobicContact CG-CG2 4.42Å; M213-T218 PolarHBondContact O-OG1 3.24Å; M213-T218 HydrophobicContact SD-CG2 3.97Å; M213-Q220 PolarHBondContact O-NE2 2.91Å
214	E	59	Low	78.5	Confident	151 Å²	151	42.1 Å²	42.1	71%	0.706	24%	0.244	S	C	*	.			trans	-85.2	-4.1	-179.3	-65.8	-169.4	161	0	0	114.4	K236	E214-K236 PolarHBondContact O-NZ 2.95Å
215	S	61.2	Low	78.4	Confident	50 Å²	50	42.1 Å²	42.1	35%	0.35	24%	0.244	S	C	.	.	S	Bend	trans	-69.9	146	-176.1	77.2	0	0	0	0	112.9	M213 S217 T218 N234	M213-S215 VanDerWaalsContact C-N 3.35Å; S215-S217 PolarHBondContact O-N 2.76Å; S215-S217 VanDerWaalsContact O-N 3.09Å; S215-S217 PolarHBondContact OG-OG 2.85Å; S215-T218 PolarHBondContact O-N 3.41Å; S215-T218 PolarHBondContact O-OG1 3.26Å; S215-T218 WeakPolarHBondContact OG-CB 3.19Å; S215-T218 WeakPolarHBondContact OG-CG2 3.43Å; S215-T218 PolarHBondContact OG-N 2.93Å; S215-T218 PolarHBondContact OG-OG1 2.85Å; S215-N234 PolarHBondContact O-ND2 2.79Å
216	D	62	Low	78.3	Confident	85 Å²	85	41.2 Å²	41.2	46%	0.455	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.3	-178	-68.1	9.1	0	0	0	114	N234 K236 K237	D216-N234 WeakPolarHBondContact CA-ND2 3.47Å; D216-N234 PolarHBondContact O-ND2 2.89Å; D216-N234 VanDerWaalsContact O-ND2 3.11Å; D216-K236 WeakPolarHBondContact OD1-CD 2.86Å; D216-K236 WeakPolarHBondContact OD1-CE 3.19Å; D216-K236 IonicContact OD1-NZ 3.94Å; D216-K236 PolarHBondContact OD1-NZ 2.84Å; D216-K237 PolarHBondContact O-NZ 3.49Å
217	S	66.7	Low	78	Confident	90 Å²	90	43.6 Å²	43.6	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-14.2	178.4	50.3	0	0	0	0	113.4	S215	S215-S217 PolarHBondContact O-N 2.76Å; S215-S217 VanDerWaalsContact O-N 3.09Å; S215-S217 PolarHBondContact OG-OG 2.85Å
218	T	80	Confident	77.8	Confident	31 Å²	31	42.7 Å²	42.7	19%	0.19	25%	0.253	C	S	.	.	S	Bend	trans	-77	140.2	-178.4	37.9	0	0	0	0	111.2	M213 S215 N234	M213-T218 HydrophobicContact CB-CG2 4.13Å; M213-T218 HydrophobicContact CG-CG2 4.42Å; M213-T218 PolarHBondContact O-OG1 3.24Å; M213-T218 HydrophobicContact SD-CG2 3.97Å; S215-T218 PolarHBondContact O-N 3.41Å; S215-T218 PolarHBondContact O-OG1 3.26Å; S215-T218 WeakPolarHBondContact OG-CB 3.19Å; S215-T218 WeakPolarHBondContact OG-CG2 3.43Å; S215-T218 PolarHBondContact OG-N 2.93Å; S215-T218 PolarHBondContact OG-OG1 2.85Å; T218-N234 WeakPolarHBondContact O-CB 3.37Å; T218-N234 PolarHBondContact O-ND2 2.88Å
219	I	82	Confident	78	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.118	25%	0.247	C	C	.	.			trans	-80.2	125.2	175.1	-68.1	152.3	0	0	0	107.5	L232 L241 I278	I219-L232 HydrophobicContact CD1-CB 4.18Å; I219-L232 HydrophobicContact CD1-CD1 3.68Å; I219-L232 HydrophobicContact CG1-CB 4.08Å; I219-L232 HydrophobicContact CG1-CD1 4.46Å; I219-L232 HydrophobicContact CG2-CB 3.83Å; I219-L232 HydrophobicContact CG2-CD1 4.46Å; I219-L232 HydrophobicContact CG2-CD2 4.34Å; I219-L232 HydrophobicContact CG2-CG 4.43Å; I219-L241 HydrophobicContact CG1-CD1 3.85Å; I219-I278 HydrophobicContact CD1-CG2 3.33Å
220	Q	83.1	Confident	78.6	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.065	23%	0.23	C	C	.	.			trans	-113.8	-26.3	-177	-70.7	176.1	-30.1	0	0	112	H207 V210 M213 W233 L235	H207-Q220 WeakPolarHBondContact CB-O 3.38Å; H207-Q220 PolarHBondContact N-O 3.14Å; V210-Q220 HydrophobicContact CG1-CG 4.4Å; V210-Q220 HydrophobicContact CG2-CB 4.09Å; V210-Q220 HydrophobicContact CG2-CG 4.42Å; V210-Q220 WeakPolarHBondContact CG2-O 3.42Å; M213-Q220 PolarHBondContact O-NE2 2.91Å; Q220-W233 PolarHBondContact N-O 3.13Å; Q220-L235 HydrophobicContact CB-CD1 4.35Å; Q220-L235 HydrophobicContact CB-CG 4.12Å
221	V	89.6	Confident	79.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.2	-176.7	177	0	0	0	0	109.7	L194 I204 R205 F206 W233 L235	L194-V221 HydrophobicContact CD1-CG1 4.3Å; I204-V221 HydrophobicContact CD1-CG1 3.6Å; I204-V221 HydrophobicContact CG1-CG1 3.49Å; I204-V221 VanDerWaalsContact CG1-CG1 3.49Å; R205-V221 CarbonylContact O-C 3.52Å; R205-V221 WeakPolarHBondContact O-CA 3.26Å; F206-V221 HydrophobicContact CD1-CG2 3.51Å; F206-V221 HydrophobicContact CE1-CG2 3.52Å; F206-V221 HydrophobicContact CG-CG2 4.43Å; F206-V221 HydrophobicContact CZ-CG2 4.48Å; V221-W233 HydrophobicContact CB-CB 4.21Å; V221-W233 PolarHBondContact N-O 2.9Å; V221-W233 VanDerWaalsContact N-O 3.12Å; V221-W233 PolarHBondContact O-N 3.45Å; V221-L235 HydrophobicContact CG2-CD2 3.79Å; V221-L235 HydrophobicContact CG2-CG 4.35Å
222	A	92.4	Very high	81.2	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.5	166.6	0	0	0	0	0	109.8	I204 R205 K231 L232 M255 F257 L264	I204-A222 CarbonylContact C-O 3.48Å; I204-A222 VanDerWaalsContact CA-O 3.31Å; I204-A222 WeakPolarHBondContact CA-O 3.22Å; R205-A222 PolarHBondContact N-O 3.14Å; R205-A222 PolarHBondContact O-N 2.77Å; A222-K231 WeakPolarHBondContact CA-O 3.34Å; A222-L232 HydrophobicContact CB-CD2 3.57Å; A222-M255 HydrophobicContact CB-CE 3.88Å; A222-F257 HydrophobicContact CB-CE1 4.4Å; A222-F257 HydrophobicContact CB-CE2 3.67Å; A222-F257 HydrophobicContact CB-CZ 3.4Å; A222-F257 VanDerWaalsContact CB-CZ 3.4Å; A222-L264 HydrophobicContact CB-CD1 4.06Å; A222-L264 HydrophobicContact CB-CD2 4.05Å
223	S	93.6	Very high	82.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.5	174.2	65.2	0	0	0	0	111.3	H197 C203 V230 K231 W233	H197-S223 WeakPolarHBondContact NE2-CB 3.36Å; H197-S223 PolarHBondContact NE2-OG 3.21Å; C203-S223 VanDerWaalsContact O-CA 3.28Å; C203-S223 WeakPolarHBondContact O-CA 3.16Å; S223-V230 CarbonylContact O-C 3.59Å; S223-V230 WeakPolarHBondContact O-CA 3.35Å; S223-K231 PolarHBondContact N-O 3.22Å; S223-K231 PolarHBondContact O-N 3.22Å; S223-K231 PolarHBondContact OG-O 3.09Å; S223-W233 PolarHBondContact OG-NE1 2.84Å
224	C	92.7	Very high	83.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.4	177.5	56	0	0	0	0	112.5	A201 S202 C203 M229 V230 V252 M255	A201-C224 CarbonylContact C-O 3.5Å; A201-C224 WeakPolarHBondContact CA-O 3.35Å; S202-C224 PolarHBondContact N-O 3.48Å; S202-C224 PolarHBondContact OG-O 3.42Å; S202-C224 PolarHBondContact OG-SG 3.48Å; C203-C224 WeakPolarHBondContact CB-SG 3.46Å; C203-C224 PolarHBondContact N-SG 2.88Å; C203-C224 VanDerWaalsContact N-SG 3.4Å; C203-C224 PolarHBondContact O-N 3.23Å; C224-M229 WeakPolarHBondContact CA-O 3.36Å; C224-V230 HydrophobicContact CB-CG2 4.09Å; C224-V252 HydrophobicContact CB-CB 3.95Å; C224-V252 HydrophobicContact CB-CG1 3.52Å; C224-M255 HydrophobicContact CB-CE 3.72Å; C224-M255 HydrophobicContact CB-CG 3.92Å; C224-M255 HydrophobicContact CB-SD 3.56Å; C224-M255 VanDerWaalsContact CB-SD 3.56Å
225	D	92.1	Very high	84.8	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.			trans	-122.3	166.3	-176.3	-158.4	3.7	0	0	0	112.9	H197 S199 N200 D227 M229 V252	H197-D225 HydrophobicContact CB-CB 4.32Å; H197-D225 WeakPolarHBondContact CB-OD2 3.38Å; H197-D225 IonicContact CG-OD2 3.95Å; H197-D225 IonicContact ND1-OD2 3.87Å; S199-D225 PolarHBondContact N-OD2 3.17Å; S199-D225 PolarHBondContact OG-OD1 3.43Å; S199-D225 PolarHBondContact OG-OD2 3.13Å; N200-D225 PolarHBondContact N-OD1 3.07Å; D225-D227 VanDerWaalsContact C-N 3.29Å; D225-M229 HydrophobicContact CB-CB 4.47Å; D225-M229 PolarHBondContact N-O 2.99Å; D225-V252 PolarHBondContact O-N 2.71Å
226	N	90.3	Very high	85.8	Confident	34 Å²	34	24.3 Å²	24.3	18%	0.182	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.5	169.4	-73.1	1.8	0	0	0	113.9	N200 G228 R251	N200-N226 PolarHBondContact O-N 3.11Å; N200-N226 PolarHBondContact O-OD1 3.46Å; N226-G228 PolarHBondContact O-N 3.42Å; N226-R251 HydrophobicContact CB-CG 4.33Å; N226-R251 WeakPolarHBondContact O-CA 3.42Å; N226-R251 WeakPolarHBondContact O-CB 3.15Å; N226-R251 WeakPolarHBondContact OD1-CD 3.36Å; N226-R251 VanDerWaalsContact OD1-CZ 3.23Å; N226-R251 PolarHBondContact OD1-NE 2.68Å; N226-R251 PolarHBondContact OD1-NH2 3.22Å
227	D	87.9	Confident	86.6	Confident	61 Å²	61	24.6 Å²	24.6	33%	0.326	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.9	177.4	-67.4	-7.2	0	0	0	112.7	T198 S199 D225	T198-D227 PolarHBondContact OG1-OD2 3.13Å; S199-D227 VanDerWaalsContact CB-CG 3.48Å; S199-D227 WeakPolarHBondContact CB-OD1 3.3Å; S199-D227 WeakPolarHBondContact CB-OD2 3.47Å; S199-D227 PolarHBondContact OG-N 3.5Å; S199-D227 PolarHBondContact OG-OD1 2.96Å; S199-D227 PolarHBondContact OG-OD2 2.95Å; D225-D227 VanDerWaalsContact C-N 3.29Å
228	G	85.7	Confident	87.1	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	96.6	2	-177.7	0	0	0	0	0	114.1	N226 Y250	N226-G228 PolarHBondContact O-N 3.42Å; G228-Y250 WeakPolarHBondContact CA-O 3.07Å
229	M	89.8	Confident	87.1	Confident	31 Å²	31	33.9 Å²	33.9	15%	0.153	16%	0.157	C	C	.	.			trans	-83	131.5	178.1	-63.2	-175.1	-178.3	0	0	112	C224 D225 K231 E248	C224-M229 WeakPolarHBondContact CA-O 3.36Å; D225-M229 HydrophobicContact CB-CB 4.47Å; D225-M229 PolarHBondContact N-O 2.99Å; M229-K231 PolarHBondContact SD-NZ 3.19Å; M229-E248 WeakPolarHBondContact CE-OE1 3.5Å
230	V	91.5	Very high	87.2	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.7	165.4	176.9	0	0	0	0	108.6	S223 C224 I244 V252 M255 L264 Y266	S223-V230 CarbonylContact O-C 3.59Å; S223-V230 WeakPolarHBondContact O-CA 3.35Å; C224-V230 HydrophobicContact CB-CG2 4.09Å; V230-I244 HydrophobicContact CB-CB 4.17Å; V230-I244 HydrophobicContact CB-CD1 4.28Å; V230-I244 HydrophobicContact CG1-CD1 4.11Å; V230-I244 PolarHBondContact N-O 3.2Å; V230-I244 PolarHBondContact O-N 3.42Å; V230-V252 HydrophobicContact CG2-CG1 4.18Å; V230-V252 HydrophobicContact CG2-CG2 4.1Å; V230-M255 HydrophobicContact CB-SD 4.24Å; V230-M255 HydrophobicContact CG1-CE 4.34Å; V230-M255 HydrophobicContact CG1-SD 3.41Å; V230-M255 WeakPolarHBondContact CG1-SD 3.33Å; V230-M255 HydrophobicContact CG2-SD 3.85Å; V230-L264 HydrophobicContact CG1-CD2 3.79Å; V230-Y266 HydrophobicContact CG2-CD1 4.33Å; V230-Y266 HydrophobicContact CG2-CD2 4.38Å; V230-Y266 HydrophobicContact CG2-CG 4.17Å
231	K	91.5	Very high	87.2	Confident	20 Å²	20	36.9 Å²	36.9	9%	0.087	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131	-177.4	-63.3	-175.7	-168.2	-164.5	0	110.5	G196 H197 A222 S223 M229 W233 P240 V242	G196-K231 PolarHBondContact O-NZ 3.3Å; H197-K231 WeakPolarHBondContact ND1-CE 3.26Å; A222-K231 WeakPolarHBondContact CA-O 3.34Å; S223-K231 PolarHBondContact N-O 3.22Å; S223-K231 PolarHBondContact O-N 3.22Å; S223-K231 PolarHBondContact OG-O 3.09Å; M229-K231 PolarHBondContact SD-NZ 3.19Å; K231-W233 HydrophobicContact CB-CZ2 3.87Å; K231-W233 HydrophobicContact CD-CZ2 4.13Å; K231-W233 PolarHBondContact O-NE1 3.46Å; K231-P240 HydrophobicContact CB-CB 4.08Å; K231-P240 HydrophobicContact CD-CB 4.35Å; K231-P240 HydrophobicContact CD-CG 4.28Å; K231-P240 HydrophobicContact CG-CB 4.44Å; K231-V242 WeakPolarHBondContact CA-O 3.44Å
232	L	91.4	Very high	87	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.6	176.4	-53.3	-176.8	0	0	0	109.4	I219 A222 P240 L241 V242 I244 L264 Y276	I219-L232 HydrophobicContact CD1-CB 4.18Å; I219-L232 HydrophobicContact CD1-CD1 3.68Å; I219-L232 HydrophobicContact CG1-CB 4.08Å; I219-L232 HydrophobicContact CG1-CD1 4.46Å; I219-L232 HydrophobicContact CG2-CB 3.83Å; I219-L232 HydrophobicContact CG2-CD1 4.46Å; I219-L232 HydrophobicContact CG2-CD2 4.34Å; I219-L232 HydrophobicContact CG2-CG 4.43Å; A222-L232 HydrophobicContact CB-CD2 3.57Å; L232-P240 CarbonylContact O-C 3.58Å; L232-L241 PolarHBondContact O-N 3.09Å; L232-V242 HydrophobicContact CB-CB 4.23Å; L232-V242 HydrophobicContact CD1-CB 4.12Å; L232-V242 HydrophobicContact CD1-CG1 4.49Å; L232-V242 HydrophobicContact CG-CB 4.31Å; L232-V242 PolarHBondContact N-O 3.47Å; L232-I244 HydrophobicContact CD1-CD1 4.47Å; L232-L264 HydrophobicContact CD2-CD2 3.8Å; L232-Y276 HydrophobicContact CD1-CE1 4.25Å
233	W	89.3	Confident	86.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.3	-172.5	-49.9	86.8	0	0	0	111.4	L194 Q220 V221 S223 K231 E238 P240	L194-W233 HydrophobicContact CB-CD2 4.04Å; L194-W233 HydrophobicContact CB-CE3 3.94Å; L194-W233 HydrophobicContact CB-CH2 4.23Å; L194-W233 HydrophobicContact CB-CZ2 4.34Å; L194-W233 HydrophobicContact CB-CZ3 4.02Å; L194-W233 HydrophobicContact CD1-CB 4.09Å; L194-W233 HydrophobicContact CD1-CD2 4.09Å; L194-W233 HydrophobicContact CD1-CG 3.87Å; L194-W233 HydrophobicContact CD2-CB 4.4Å; L194-W233 HydrophobicContact CD2-CD2 4.24Å; L194-W233 HydrophobicContact CD2-CE3 3.89Å; L194-W233 HydrophobicContact CD2-CG 4.47Å; L194-W233 HydrophobicContact CG-CD2 4.35Å; L194-W233 HydrophobicContact CG-CE3 4.33Å; Q220-W233 PolarHBondContact N-O 3.13Å; V221-W233 HydrophobicContact CB-CB 4.21Å; V221-W233 PolarHBondContact N-O 2.9Å; V221-W233 VanDerWaalsContact N-O 3.12Å; V221-W233 PolarHBondContact O-N 3.45Å; S223-W233 PolarHBondContact OG-NE1 2.84Å; K231-W233 HydrophobicContact CB-CZ2 3.87Å; K231-W233 HydrophobicContact CD-CZ2 4.13Å; K231-W233 PolarHBondContact O-NE1 3.46Å; W233-E238 WeakPolarHBondContact CZ3-O 3.45Å; W233-P240 HydrophobicContact CD2-CB 4.19Å; W233-P240 HydrophobicContact CE3-CB 3.94Å; W233-P240 HydrophobicContact CH2-CB 3.98Å; W233-P240 HydrophobicContact CH2-CG 4.18Å; W233-P240 HydrophobicContact CZ2-CB 4.22Å; W233-P240 HydrophobicContact CZ3-CB 3.83Å; W233-P240 VanDerWaalsContact CZ3-CD 3.49Å; W233-P240 HydrophobicContact CZ3-CG 4.16Å
234	N	87	Confident	86.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.			trans	-107.7	138.6	160.6	-177.1	-50.9	0	0	0	107.5	S215 D216 T218 K236 K237 L241	S215-N234 PolarHBondContact O-ND2 2.79Å; D216-N234 WeakPolarHBondContact CA-ND2 3.47Å; D216-N234 PolarHBondContact O-ND2 2.89Å; D216-N234 VanDerWaalsContact O-ND2 3.11Å; T218-N234 WeakPolarHBondContact O-CB 3.37Å; T218-N234 PolarHBondContact O-ND2 2.88Å; N234-K236 PolarHBondContact O-N 3.36Å; N234-K236 VanDerWaalsContact O-N 3.15Å; N234-K236 WeakPolarHBondContact OD1-CB 3.44Å; N234-K236 PolarHBondContact OD1-N 2.86Å; N234-K237 PolarHBondContact O-N 2.77Å; N234-K237 VanDerWaalsContact O-O 3.06Å; N234-L241 HydrophobicContact CB-CD1 3.77Å; N234-L241 HydrophobicContact CB-CG 4.23Å
235	L	82.2	Confident	85.9	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.11	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.9	-177.4	-64.3	169.7	0	0	0	112.8	M170 V182 R192 F206 V210 Q220 V221	M170-L235 HydrophobicContact SD-CD1 4.1Å; V182-L235 HydrophobicContact CG1-CD2 4.38Å; V182-L235 HydrophobicContact CG2-CD2 3.98Å; R192-L235 WeakPolarHBondContact CD-O 3.39Å; R192-L235 VanDerWaalsContact CZ-O 3.24Å; R192-L235 PolarHBondContact NE-O 2.9Å; F206-L235 HydrophobicContact CE1-CD2 4.41Å; V210-L235 HydrophobicContact CG1-CD1 4.44Å; Q220-L235 HydrophobicContact CB-CD1 4.35Å; Q220-L235 HydrophobicContact CB-CG 4.12Å; V221-L235 HydrophobicContact CG2-CD2 3.79Å; V221-L235 HydrophobicContact CG2-CG 4.35Å
236	K	81.7	Confident	85	Confident	98 Å²	98	49.2 Å²	49.2	43%	0.426	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-27	179.9	-67.2	174.5	173.1	174.7	0	113.5	R192 E214 D216 N234	R192-K236 PolarHBondContact NH1-O 2.94Å; E214-K236 PolarHBondContact O-NZ 2.95Å; D216-K236 WeakPolarHBondContact OD1-CD 2.86Å; D216-K236 WeakPolarHBondContact OD1-CE 3.19Å; D216-K236 IonicContact OD1-NZ 3.94Å; D216-K236 PolarHBondContact OD1-NZ 2.84Å; N234-K236 PolarHBondContact O-N 3.36Å; N234-K236 VanDerWaalsContact O-N 3.15Å; N234-K236 WeakPolarHBondContact OD1-CB 3.44Å; N234-K236 PolarHBondContact OD1-N 2.86Å
237	K	79	Confident	84.1	Confident	90 Å²	90	47.7 Å²	47.7	39%	0.391	24%	0.238	S	C	.	.			trans	-104.1	135.9	-175.3	-70.6	173.5	178	159.1	0	110.7	D216 N234 L241	D216-K237 PolarHBondContact O-NZ 3.49Å; N234-K237 PolarHBondContact O-N 2.77Å; N234-K237 VanDerWaalsContact O-O 3.06Å; K237-L241 HydrophobicContact CD-CD2 3.82Å
238	E	76.2	Confident	83.4	Confident	147 Å²	147	49.5 Å²	49.5	69%	0.687	25%	0.245	S	C	*	.	S	Bend	trans	-77.3	-24.9	176.2	-64.8	-174.4	165.4	0	0	113	W233	W233-E238 WeakPolarHBondContact CZ3-O 3.45Å
239	K	79.3	Confident	83.1	Confident	169 Å²	169	54.7 Å²	54.7	74%	0.735	28%	0.279	S	S	*	.	S	Bend	trans	-87.7	143.5	177.1	-66.3	-175.8	-179.7	-178.8	0	110.2
240	P	84	Confident	83	Confident	42 Å²	42	59 Å²	59	27%	0.273	29%	0.294	S	S	.	.			trans	-62.3	143	172.8	29.2	-34.4	0	0	0	109.5	K231 L232 W233	K231-P240 HydrophobicContact CB-CB 4.08Å; K231-P240 HydrophobicContact CD-CB 4.35Å; K231-P240 HydrophobicContact CD-CG 4.28Å; K231-P240 HydrophobicContact CG-CB 4.44Å; L232-P240 CarbonylContact O-C 3.58Å; W233-P240 HydrophobicContact CD2-CB 4.19Å; W233-P240 HydrophobicContact CE3-CB 3.94Å; W233-P240 HydrophobicContact CH2-CB 3.98Å; W233-P240 HydrophobicContact CH2-CG 4.18Å; W233-P240 HydrophobicContact CZ2-CB 4.22Å; W233-P240 HydrophobicContact CZ3-CB 3.83Å; W233-P240 VanDerWaalsContact CZ3-CD 3.49Å; W233-P240 HydrophobicContact CZ3-CG 4.16Å
241	L	84.5	Confident	83.1	Confident	59 Å²	59	62.8 Å²	62.8	31%	0.309	31%	0.308	S	S	.	.	S	Bend	trans	-74.4	-43.8	176.1	-73.7	178.3	0	0	0	111.1	I219 L232 N234 K237	I219-L241 HydrophobicContact CG1-CD1 3.85Å; L232-L241 PolarHBondContact O-N 3.09Å; N234-L241 HydrophobicContact CB-CD1 3.77Å; N234-L241 HydrophobicContact CB-CG 4.23Å; K237-L241 HydrophobicContact CD-CD2 3.82Å
242	V	85	Confident	83.1	Confident	23 Å²	23	61.8 Å²	61.8	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.1	-176.6	-177.4	0	0	0	0	108.3	K231 L232 I244	K231-V242 WeakPolarHBondContact CA-O 3.44Å; L232-V242 HydrophobicContact CB-CB 4.23Å; L232-V242 HydrophobicContact CD1-CB 4.12Å; L232-V242 HydrophobicContact CD1-CG1 4.49Å; L232-V242 HydrophobicContact CG-CB 4.31Å; L232-V242 PolarHBondContact N-O 3.47Å; V242-I244 HydrophobicContact CG1-CG1 4.2Å
243	S	86.8	Confident	83.1	Confident	58 Å²	58	61.9 Å²	61.9	41%	0.406	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	164.7	49.5	0	0	0	0	109.2	E245	S243-E245 PolarHBondContact OG-OE1 2.9Å
244	I	87.3	Confident	83.4	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.7	174.2	-53.7	164.5	0	0	0	106	V230 L232 V242 T246 Y276 E283	V230-I244 HydrophobicContact CB-CB 4.17Å; V230-I244 HydrophobicContact CB-CD1 4.28Å; V230-I244 HydrophobicContact CG1-CD1 4.11Å; V230-I244 PolarHBondContact N-O 3.2Å; V230-I244 PolarHBondContact O-N 3.42Å; L232-I244 HydrophobicContact CD1-CD1 4.47Å; V242-I244 HydrophobicContact CG1-CG1 4.2Å; I244-T246 HydrophobicContact CG2-CG2 4.14Å; I244-Y276 HydrophobicContact CD1-CD1 3.65Å; I244-Y276 HydrophobicContact CD1-CD2 3.72Å; I244-Y276 HydrophobicContact CD1-CE1 3.58Å; I244-Y276 HydrophobicContact CD1-CE2 3.65Å; I244-Y276 HydrophobicContact CD1-CG 3.7Å; I244-Y276 HydrophobicContact CG1-CD2 4.29Å; I244-Y276 HydrophobicContact CG1-CE1 4.25Å; I244-Y276 HydrophobicContact CG1-CE2 3.79Å; I244-Y276 HydrophobicContact CG2-CD2 4.33Å; I244-Y276 HydrophobicContact CG2-CE2 4.22Å; I244-E283 WeakPolarHBondContact CG2-OE1 3.27Å
245	E	82.1	Confident	83.7	Confident	104 Å²	104	62.2 Å²	62.2	49%	0.486	31%	0.306	S	S	.	.			trans	-112.9	15.6	-169.8	-67.9	170.9	-168	0	0	112.7	S243 C247	S243-E245 PolarHBondContact OG-OE1 2.9Å; E245-C247 PolarHBondContact O-N 2.79Å
246	T	73.1	Confident	84.3	Confident	66 Å²	66	61.6 Å²	61.6	41%	0.405	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.1	-170.4	59.7	0	0	0	0	114.8	I244 Y266 R274 E283	I244-T246 HydrophobicContact CG2-CG2 4.14Å; T246-Y266 PolarHBondContact OG1-OH 2.86Å; T246-R274 PolarHBondContact O-NH1 3.02Å; T246-R274 PolarHBondContact OG1-NH1 3.13Å; T246-R274 VanDerWaalsContact OG1-NH1 3.13Å; T246-E283 WeakPolarHBondContact CB-OE1 3.35Å; T246-E283 WeakPolarHBondContact CB-OE2 3.36Å; T246-E283 VanDerWaalsContact CG2-CD 3.46Å; T246-E283 WeakPolarHBondContact CG2-OE1 2.91Å; T246-E283 VanDerWaalsContact OG1-CD 3.25Å; T246-E283 PolarHBondContact OG1-OE1 2.76Å; T246-E283 PolarHBondContact OG1-OE2 3.35Å
247	C	70.9	Confident	84.9	Confident	1 Å²	1	58 Å²	58	1%	0.007	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.5	-178.5	-86.3	0	0	0	0	113.7	E245 Y250 V252 Y266 C268 R274	E245-C247 PolarHBondContact O-N 2.79Å; C247-Y250 WeakPolarHBondContact O-CA 3.12Å; C247-Y250 WeakPolarHBondContact O-CB 3.5Å; C247-Y250 PolarHBondContact O-N 3.37Å; C247-V252 HydrophobicContact CB-CG2 4.07Å; C247-Y266 VanDerWaalsContact SG-CE2 3.59Å; C247-C268 HydrophobicContact CB-CB 4.3Å; C247-C268 WeakPolarHBondContact CB-SG 3.42Å; C247-C268 WeakPolarHBondContact SG-CB 3.41Å; C247-C268 CovalentContact SG-SG 2.07Å; C247-C268 PolarHBondContact SG-SG 2.86Å; C247-R274 PolarHBondContact SG-NH1 2.68Å
248	E	72.7	Confident	85.6	Confident	99 Å²	99	53.7 Å²	53.7	46%	0.463	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.4	178.1	-64.2	-168.9	171.2	0	0	110.7	M229	M229-E248 WeakPolarHBondContact CE-OE1 3.5Å
249	P	79.5	Confident	86.3	Confident	111 Å²	111	48.2 Å²	48.2	72%	0.721	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	cis	-100.3	15.8	9.5	39.6	-36	0	0	0	114.9
250	Y	88.6	Confident	86.7	Confident	121 Å²	121	41.1 Å²	41.1	48%	0.475	22%	0.218	S	C	.	.	S	Bend	trans	-86.8	137.2	-174.8	-58.2	-77.7	0	0	0	112.5	G228 C247 D270	G228-Y250 WeakPolarHBondContact CA-O 3.07Å; C247-Y250 WeakPolarHBondContact O-CA 3.12Å; C247-Y250 WeakPolarHBondContact O-CB 3.5Å; C247-Y250 PolarHBondContact O-N 3.37Å; Y250-D270 HydrophobicContact CD1-CB 4.21Å; Y250-D270 HydrophobicContact CD2-CB 3.68Å; Y250-D270 HydrophobicContact CE1-CB 4.46Å; Y250-D270 HydrophobicContact CE2-CB 3.95Å; Y250-D270 HydrophobicContact CG-CB 3.81Å
251	R	91.9	Very high	86.9	Confident	80 Å²	80	39.1 Å²	39.1	30%	0.302	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-59.1	137.6	174.8	166.6	172	-166.1	-170.7	8.1	112.4	N226 F269	N226-R251 HydrophobicContact CB-CG 4.33Å; N226-R251 WeakPolarHBondContact O-CA 3.42Å; N226-R251 WeakPolarHBondContact O-CB 3.15Å; N226-R251 WeakPolarHBondContact OD1-CD 3.36Å; N226-R251 VanDerWaalsContact OD1-CZ 3.23Å; N226-R251 PolarHBondContact OD1-NE 2.68Å; N226-R251 PolarHBondContact OD1-NH2 3.22Å; R251-F269 HydrophobicContact CB-CB 4.37Å; R251-F269 HydrophobicContact CB-CD2 3.78Å; R251-F269 HydrophobicContact CB-CE2 4.25Å; R251-F269 HydrophobicContact CB-CG 4.13Å; R251-F269 HydrophobicContact CG-CD2 3.65Å; R251-F269 HydrophobicContact CG-CE2 3.66Å; R251-F269 HydrophobicContact CG-CG 4.44Å; R251-F269 VanDerWaalsContact O-CD2 3.26Å; R251-F269 WeakPolarHBondContact O-CD2 3.32Å; R251-F269 PolarHBondContact O-N 3.47Å
252	V	92.9	Very high	87.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.4	166	178.9	0	0	0	0	108.7	S202 C224 D225 V230 C247 M255 Y266 T267 C268	S202-V252 PolarHBondContact OG-O 3.43Å; C224-V252 HydrophobicContact CB-CB 3.95Å; C224-V252 HydrophobicContact CB-CG1 3.52Å; D225-V252 PolarHBondContact O-N 2.71Å; V230-V252 HydrophobicContact CG2-CG1 4.18Å; V230-V252 HydrophobicContact CG2-CG2 4.1Å; C247-V252 HydrophobicContact CB-CG2 4.07Å; V252-M255 HydrophobicContact CG1-CG 4.29Å; V252-Y266 HydrophobicContact CG1-CD2 4.35Å; V252-Y266 HydrophobicContact CG2-CD2 4.48Å; V252-T267 CarbonylContact C-O 3.6Å; V252-T267 VanDerWaalsContact CA-O 3.3Å; V252-T267 WeakPolarHBondContact CA-O 3.22Å; V252-T267 WeakPolarHBondContact CG1-O 3.42Å; V252-C268 VanDerWaalsContact CG2-SG 3.56Å
253	A	91.7	Very high	87.6	Confident	2 Å²	2	36.8 Å²	36.8	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-56.6	-173.1	0	0	0	0	0	112.1	S202 T267 F269 Y295	S202-A253 PolarHBondContact OG-O 3.05Å; A253-T267 PolarHBondContact N-O 2.94Å; A253-F269 HydrophobicContact CB-CD2 4.17Å; A253-F269 HydrophobicContact CB-CE2 3.67Å; A253-Y295 HydrophobicContact CB-CD2 4.2Å; A253-Y295 HydrophobicContact CB-CG 4.45Å; A253-Y295 WeakPolarHBondContact CB-O 3.29Å
254	R	93.9	Very high	87.9	Confident	8 Å²	8	34 Å²	34	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	163.9	-175.8	-65.2	-66.1	-166.5	-155.4	10.1	110.9	Y161 S202 Y266 T267 Y295 D296	Y161-R254 VanDerWaalsContact CD2-CZ 3.46Å; S202-R254 PolarHBondContact O-NH1 2.81Å; R254-Y266 WeakPolarHBondContact O-CA 3.34Å; R254-T267 PolarHBondContact N-OG1 3.3Å; R254-T267 PolarHBondContact O-N 3.33Å; R254-T267 PolarHBondContact O-OG1 2.82Å; R254-T267 VanDerWaalsContact O-OG1 3.13Å; R254-Y295 VanDerWaalsContact CB-O 3.28Å; R254-Y295 WeakPolarHBondContact CB-O 3.45Å; R254-Y295 WeakPolarHBondContact CG-O 3.43Å; R254-D296 WeakPolarHBondContact CB-OD1 3.25Å; R254-D296 HydrophobicContact CG-CB 4.3Å; R254-D296 WeakPolarHBondContact CG-OD1 3.44Å
255	M	94.2	Very high	88.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.4	175.9	-54	-168.9	-65.1	0	0	111.2	R205 A222 C224 V230 V252 L264 G265	R205-M255 WeakPolarHBondContact CG-O 3.44Å; R205-M255 PolarHBondContact NE-O 2.91Å; A222-M255 HydrophobicContact CB-CE 3.88Å; C224-M255 HydrophobicContact CB-CE 3.72Å; C224-M255 HydrophobicContact CB-CG 3.92Å; C224-M255 HydrophobicContact CB-SD 3.56Å; C224-M255 VanDerWaalsContact CB-SD 3.56Å; V230-M255 HydrophobicContact CB-SD 4.24Å; V230-M255 HydrophobicContact CG1-CE 4.34Å; V230-M255 HydrophobicContact CG1-SD 3.41Å; V230-M255 WeakPolarHBondContact CG1-SD 3.33Å; V230-M255 HydrophobicContact CG2-SD 3.85Å; V252-M255 HydrophobicContact CG1-CG 4.29Å; M255-L264 HydrophobicContact CB-CD1 4.36Å; M255-L264 HydrophobicContact SD-CD2 4.21Å; M255-G265 CarbonylContact C-O 3.43Å; M255-G265 VanDerWaalsContact CA-O 3.28Å; M255-G265 WeakPolarHBondContact CA-O 3.15Å
256	A	94.6	Very high	88.9	Confident	7 Å²	7	28.7 Å²	28.7	6%	0.058	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.1	170.6	0	0	0	0	0	110	G265 I297 F299	A256-G265 PolarHBondContact N-O 2.87Å; A256-G265 PolarHBondContact O-N 3.46Å; A256-I297 HydrophobicContact CB-CG2 4.1Å; A256-F299 HydrophobicContact CB-CD2 3.65Å; A256-F299 HydrophobicContact CB-CE2 3.82Å; A256-F299 VanDerWaalsContact O-CE2 3.25Å; A256-F299 WeakPolarHBondContact O-CE2 3.47Å
257	F	94.1	Very high	89.9	Confident	22 Å²	22	25.6 Å²	25.6	10%	0.096	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.9	167.7	-75.3	-84.4	0	0	0	109.8	R205 F206 H207 A222 L264 I278 F299	R205-F257 HydrophobicContact CB-CD2 3.84Å; R205-F257 HydrophobicContact CB-CE2 3.84Å; F206-F257 WeakPolarHBondContact O-CD2 3.44Å; H207-F257 HydrophobicContact CB-CZ 4.49Å; A222-F257 HydrophobicContact CB-CE1 4.4Å; A222-F257 HydrophobicContact CB-CE2 3.67Å; A222-F257 HydrophobicContact CB-CZ 3.4Å; A222-F257 VanDerWaalsContact CB-CZ 3.4Å; F257-L264 HydrophobicContact CD1-CB 4.49Å; F257-L264 HydrophobicContact CD1-CD1 3.84Å; F257-L264 HydrophobicContact CD2-CD1 4.13Å; F257-L264 HydrophobicContact CE1-CD1 3.82Å; F257-L264 HydrophobicContact CE2-CD1 4.1Å; F257-L264 HydrophobicContact CG-CD1 4.01Å; F257-L264 HydrophobicContact CZ-CD1 3.97Å; F257-I278 HydrophobicContact CD1-CD1 4.09Å; F257-I278 HydrophobicContact CE1-CD1 3.66Å; F257-F299 VanDerWaalsContact O-CD2 3.32Å; F257-F299 WeakPolarHBondContact O-CD2 3.35Å
258	H	94.1	Very high	91	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.			trans	-65.4	145	163.9	-177.2	-95.4	0	0	0	108.9	Y109 S260 G261 F263 F299 G303	Y109-H258 AromaticContact CD1-CE1 3.78Å; H258-S260 VanDerWaalsContact ND1-CB 3.33Å; H258-S260 WeakPolarHBondContact ND1-CB 3.36Å; H258-S260 PolarHBondContact ND1-N 3.1Å; H258-S260 VanDerWaalsContact ND1-N 3.19Å; H258-S260 PolarHBondContact ND1-OG 3.23Å; H258-S260 PolarHBondContact O-N 2.76Å; H258-G261 PolarHBondContact O-N 2.89Å; H258-F263 HydrophobicContact CB-CB 3.76Å; H258-F263 HydrophobicContact CB-CD2 4.27Å; H258-F263 WeakPolarHBondContact CB-O 3.39Å; H258-F263 PolarHBondContact N-O 3.25Å; H258-F299 HydrophobicContact CB-CD1 4.36Å; H258-F299 HydrophobicContact CB-CE1 4.32Å; H258-F299 AromaticContact CD2-CD1 3.75Å; H258-G303 WeakPolarHBondContact NE2-CA 3.23Å; H258-G303 PolarHBondContact NE2-O 2.91Å
259	P	90.6	Very high	91.9	Very high	32 Å²	32	23.7 Å²	23.7	21%	0.208	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22	-177.2	-26.3	33.8	0	0	0	114.8	Y109 G261 F299 Q300 C301	Y109-P259 HydrophobicContact CE1-CB 4.24Å; Y109-P259 PolarHBondContact OH-O 2.86Å; P259-G261 PolarHBondContact O-N 3.26Å; P259-F299 HydrophobicContact CG-CB 4.48Å; P259-Q300 VanDerWaalsContact CG-O 3.26Å; P259-Q300 WeakPolarHBondContact CG-O 3.43Å; P259-C301 WeakPolarHBondContact CG-O 3.46Å
260	S	88.9	Confident	92.4	Very high	20 Å²	20	19.7 Å²	19.7	14%	0.14	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.4	174.4	75	0	0	0	0	114.2	H258 R262	H258-S260 VanDerWaalsContact ND1-CB 3.33Å; H258-S260 WeakPolarHBondContact ND1-CB 3.36Å; H258-S260 PolarHBondContact ND1-N 3.1Å; H258-S260 VanDerWaalsContact ND1-N 3.19Å; H258-S260 PolarHBondContact ND1-OG 3.23Å; H258-S260 PolarHBondContact O-N 2.76Å; S260-R262 PolarHBondContact O-N 2.92Å
261	G	87.5	Confident	92.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	75.1	-35.2	-175.7	0	0	0	0	0	115.1	H207 H258 P259 F263 I278	H207-G261 WeakPolarHBondContact NE2-CA 3.11Å; H207-G261 PolarHBondContact NE2-O 3.12Å; H258-G261 PolarHBondContact O-N 2.89Å; P259-G261 PolarHBondContact O-N 3.26Å; G261-F263 PolarHBondContact O-N 3.13Å; G261-I278 VanDerWaalsContact O-CD1 3.27Å; G261-I278 WeakPolarHBondContact O-CD1 3.13Å
262	R	90.2	Very high	92.6	Very high	33 Å²	33	12.2 Å²	12.2	13%	0.125	7%	0.065	C	C	.	.	S	Bend	trans	-59.6	-36	-175.5	178.6	175	166.4	169.7	-8.3	115.7	S260 D277 I278 E279	S260-R262 PolarHBondContact O-N 2.92Å; R262-D277 WeakPolarHBondContact CG-OD1 3.5Å; R262-D277 IonicContact CZ-OD1 3.33Å; R262-D277 IonicContact CZ-OD2 3.56Å; R262-D277 IonicContact NE-OD1 3.79Å; R262-D277 PolarHBondContact NE-OD1 2.88Å; R262-D277 IonicContact NE-OD2 3.54Å; R262-D277 PolarHBondContact NE-OD2 2.82Å; R262-D277 VanDerWaalsContact NE-OD2 3.12Å; R262-D277 IonicContact NH2-OD1 3.75Å; R262-D277 IonicContact NH2-OD2 2.68Å; R262-D277 PolarHBondContact NH2-OD2 3.14Å; R262-I278 WeakPolarHBondContact O-CB 3.04Å; R262-I278 VanDerWaalsContact O-CG1 3.23Å; R262-I278 WeakPolarHBondContact O-CG1 3.24Å; R262-I278 PolarHBondContact O-N 3.07Å; R262-E279 WeakPolarHBondContact CD-OE2 3.07Å; R262-E279 HydrophobicContact CG-CG 4.05Å; R262-E279 IonicContact CZ-OE2 2.86Å; R262-E279 IonicContact NE-OE2 2.99Å; R262-E279 PolarHBondContact NE-OE2 3.32Å; R262-E279 IonicContact NH1-OE2 3.53Å; R262-E279 PolarHBondContact NH1-OE2 2.78Å; R262-E279 IonicContact NH2-OE2 3.5Å
263	F	93.4	Very high	92.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.9	-176.7	-51.7	-75	0	0	0	111.8	A102 F105 M106 H258 G261 L275 Y276 D277	A102-F263 HydrophobicContact CB-CE1 3.63Å; A102-F263 HydrophobicContact CB-CZ 3.69Å; F105-F263 AromaticContact CD1-CE2 3.7Å; F105-F263 HydrophobicContact CD1-CE2 3.7Å; F105-F263 HydrophobicContact CD1-CZ 4.02Å; F105-F263 HydrophobicContact CE1-CE2 4.04Å; M106-F263 HydrophobicContact CE-CD2 4.25Å; M106-F263 HydrophobicContact CE-CE2 4.42Å; M106-F263 HydrophobicContact CG-CD2 4.28Å; M106-F263 HydrophobicContact CG-CE2 3.6Å; M106-F263 HydrophobicContact CG-CZ 4.2Å; M106-F263 HydrophobicContact SD-CE2 4.16Å; H258-F263 HydrophobicContact CB-CB 3.76Å; H258-F263 HydrophobicContact CB-CD2 4.27Å; H258-F263 WeakPolarHBondContact CB-O 3.39Å; H258-F263 PolarHBondContact N-O 3.25Å; G261-F263 PolarHBondContact O-N 3.13Å; F263-L275 HydrophobicContact CB-CD1 3.84Å; F263-L275 HydrophobicContact CB-CD2 4.44Å; F263-L275 HydrophobicContact CB-CG 4.13Å; F263-L275 HydrophobicContact CD1-CD2 4.36Å; F263-L275 HydrophobicContact CG-CD2 4.39Å; F263-Y276 CarbonylContact C-O 3.59Å; F263-Y276 VanDerWaalsContact CA-O 3.3Å; F263-Y276 WeakPolarHBondContact CA-O 3.25Å; F263-D277 HydrophobicContact CD1-CB 3.9Å; F263-D277 HydrophobicContact CE1-CB 3.92Å
264	L	94.3	Very high	92.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.9	172.3	-178.6	71.1	0	0	0	109	A222 V230 L232 M255 F257 Y276 I278	A222-L264 HydrophobicContact CB-CD1 4.06Å; A222-L264 HydrophobicContact CB-CD2 4.05Å; V230-L264 HydrophobicContact CG1-CD2 3.79Å; L232-L264 HydrophobicContact CD2-CD2 3.8Å; M255-L264 HydrophobicContact CB-CD1 4.36Å; M255-L264 HydrophobicContact SD-CD2 4.21Å; F257-L264 HydrophobicContact CD1-CB 4.49Å; F257-L264 HydrophobicContact CD1-CD1 3.84Å; F257-L264 HydrophobicContact CD2-CD1 4.13Å; F257-L264 HydrophobicContact CE1-CD1 3.82Å; F257-L264 HydrophobicContact CE2-CD1 4.1Å; F257-L264 HydrophobicContact CG-CD1 4.01Å; F257-L264 HydrophobicContact CZ-CD1 3.97Å; L264-Y276 PolarHBondContact N-O 2.87Å; L264-Y276 PolarHBondContact O-N 3.39Å; L264-I278 HydrophobicContact CB-CD1 4.47Å
265	G	94.4	Very high	92.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.8	170.5	0	0	0	0	0	110.4	M255 A256 R274	M255-G265 CarbonylContact C-O 3.43Å; M255-G265 VanDerWaalsContact CA-O 3.28Å; M255-G265 WeakPolarHBondContact CA-O 3.15Å; A256-G265 PolarHBondContact N-O 2.87Å; A256-G265 PolarHBondContact O-N 3.46Å; G265-R274 WeakPolarHBondContact CA-O 3.49Å
266	Y	94.4	Very high	92.7	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.9	175.2	63.7	-99.4	0	0	0	111.5	V230 T246 C247 V252 R254 C268 W273 R274 E283	V230-Y266 HydrophobicContact CG2-CD1 4.33Å; V230-Y266 HydrophobicContact CG2-CD2 4.38Å; V230-Y266 HydrophobicContact CG2-CG 4.17Å; T246-Y266 PolarHBondContact OG1-OH 2.86Å; C247-Y266 VanDerWaalsContact SG-CE2 3.59Å; V252-Y266 HydrophobicContact CG1-CD2 4.35Å; V252-Y266 HydrophobicContact CG2-CD2 4.48Å; R254-Y266 WeakPolarHBondContact O-CA 3.34Å; Y266-C268 VanDerWaalsContact CE2-SG 3.56Å; Y266-W273 WeakPolarHBondContact O-CA 3.36Å; Y266-R274 HydrophobicContact CD2-CB 4.29Å; Y266-R274 HydrophobicContact CE1-CB 4.08Å; Y266-R274 HydrophobicContact CE2-CB 3.62Å; Y266-R274 HydrophobicContact CE2-CG 4.06Å; Y266-R274 PolarHBondContact N-O 3.1Å; Y266-R274 PolarHBondContact O-N 2.99Å; Y266-R274 WeakPolarHBondContact OH-CD 3.45Å; Y266-E283 PolarHBondContact OH-OE1 2.88Å
267	T	94.8	Very high	92.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.7	-174.7	53.4	0	0	0	0	110.6	V252 A253 R254 W273 V294 Y295 I297	V252-T267 CarbonylContact C-O 3.6Å; V252-T267 VanDerWaalsContact CA-O 3.3Å; V252-T267 WeakPolarHBondContact CA-O 3.22Å; V252-T267 WeakPolarHBondContact CG1-O 3.42Å; A253-T267 PolarHBondContact N-O 2.94Å; R254-T267 PolarHBondContact N-OG1 3.3Å; R254-T267 PolarHBondContact O-N 3.33Å; R254-T267 PolarHBondContact O-OG1 2.82Å; R254-T267 VanDerWaalsContact O-OG1 3.13Å; T267-W273 HydrophobicContact CG2-CB 4.1Å; T267-V294 WeakPolarHBondContact CB-O 3.31Å; T267-V294 HydrophobicContact CG2-CB 4.09Å; T267-V294 HydrophobicContact CG2-CG1 3.5Å; T267-Y295 PolarHBondContact OG1-O 3.38Å; T267-Y295 VanDerWaalsContact OG1-O 3.07Å; T267-I297 HydrophobicContact CG2-CB 3.56Å; T267-I297 HydrophobicContact CG2-CD1 4.45Å; T267-I297 HydrophobicContact CG2-CG2 3.76Å
268	C	93.5	Very high	92.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	157.6	179.5	-68.5	0	0	0	0	111	C247 V252 Y266 D270 S272 V294	C247-C268 HydrophobicContact CB-CB 4.3Å; C247-C268 WeakPolarHBondContact CB-SG 3.42Å; C247-C268 WeakPolarHBondContact SG-CB 3.41Å; C247-C268 CovalentContact SG-SG 2.07Å; C247-C268 PolarHBondContact SG-SG 2.86Å; V252-C268 VanDerWaalsContact CG2-SG 3.56Å; Y266-C268 VanDerWaalsContact CE2-SG 3.56Å; C268-D270 WeakPolarHBondContact CB-OD1 3.27Å; C268-D270 PolarHBondContact O-N 2.9Å; C268-S272 PolarHBondContact N-O 3.28Å; C268-S272 VanDerWaalsContact N-O 3.17Å; C268-V294 PolarHBondContact O-N 2.77Å
269	F	92.5	Very high	91.9	Very high	61 Å²	61	20 Å²	20	27%	0.268	10%	0.099	S	C	.	.	S	Bend	trans	-78	2.5	178.6	-91.9	-111.7	0	0	0	113.8	R251 A253 T271 A293 Y295 L311	R251-F269 HydrophobicContact CB-CB 4.37Å; R251-F269 HydrophobicContact CB-CD2 3.78Å; R251-F269 HydrophobicContact CB-CE2 4.25Å; R251-F269 HydrophobicContact CB-CG 4.13Å; R251-F269 HydrophobicContact CG-CD2 3.65Å; R251-F269 HydrophobicContact CG-CE2 3.66Å; R251-F269 HydrophobicContact CG-CG 4.44Å; R251-F269 VanDerWaalsContact O-CD2 3.26Å; R251-F269 WeakPolarHBondContact O-CD2 3.32Å; R251-F269 PolarHBondContact O-N 3.47Å; A253-F269 HydrophobicContact CB-CD2 4.17Å; A253-F269 HydrophobicContact CB-CE2 3.67Å; F269-T271 PolarHBondContact O-N 3.23Å; F269-A293 HydrophobicContact CB-CB 3.95Å; F269-A293 HydrophobicContact CD1-CB 3.45Å; F269-A293 VanDerWaalsContact CD1-CB 3.45Å; F269-A293 HydrophobicContact CD2-CB 4.33Å; F269-A293 HydrophobicContact CE1-CB 4.02Å; F269-A293 HydrophobicContact CG-CB 3.64Å; F269-Y295 HydrophobicContact CZ-CD2 4.46Å; F269-L311 HydrophobicContact CE1-CD1 3.9Å; F269-L311 HydrophobicContact CZ-CD1 4.39Å
270	D	90.2	Very high	91.7	Very high	27 Å²	27	22.2 Å²	22.2	14%	0.144	11%	0.107	C	C	.	.	S	Bend	trans	-84.3	20.7	177.2	65.1	-6.3	0	0	0	113.4	Y250 C268 S272 R274	Y250-D270 HydrophobicContact CD1-CB 4.21Å; Y250-D270 HydrophobicContact CD2-CB 3.68Å; Y250-D270 HydrophobicContact CE1-CB 4.46Å; Y250-D270 HydrophobicContact CE2-CB 3.95Å; Y250-D270 HydrophobicContact CG-CB 3.81Å; C268-D270 WeakPolarHBondContact CB-OD1 3.27Å; C268-D270 PolarHBondContact O-N 2.9Å; D270-S272 PolarHBondContact O-N 3.19Å; D270-S272 WeakPolarHBondContact OD1-CB 3.39Å; D270-S272 PolarHBondContact OD1-N 2.99Å; D270-S272 PolarHBondContact OD1-OG 3.11Å; D270-S272 PolarHBondContact OD2-OG 3.37Å; D270-S272 VanDerWaalsContact OD2-OG 3.12Å; D270-R274 IonicContact OD2-CZ 2.97Å; D270-R274 IonicContact OD2-NE 2.8Å; D270-R274 IonicContact OD2-NH2 3.34Å; D270-R274 PolarHBondContact OD2-NH2 2.73Å
271	T	91.3	Very high	91.6	Very high	44 Å²	44	27 Å²	27	27%	0.27	13%	0.127	S	C	.	.	S	Bend	trans	68.5	0.3	-174.1	77.1	0	0	0	0	115.9	F269 H290	F269-T271 PolarHBondContact O-N 3.23Å; T271-H290 WeakPolarHBondContact CB-O 3.34Å
272	S	92.8	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	163.3	-179.4	85.9	0	0	0	0	112.7	C268 D270 H286 Q287	C268-S272 PolarHBondContact N-O 3.28Å; C268-S272 VanDerWaalsContact N-O 3.17Å; D270-S272 PolarHBondContact O-N 3.19Å; D270-S272 WeakPolarHBondContact OD1-CB 3.39Å; D270-S272 PolarHBondContact OD1-N 2.99Å; D270-S272 PolarHBondContact OD1-OG 3.11Å; D270-S272 PolarHBondContact OD2-OG 3.37Å; D270-S272 VanDerWaalsContact OD2-OG 3.12Å; S272-H286 WeakPolarHBondContact CB-NE2 3.48Å; S272-H286 PolarHBondContact OG-CD2 3.01Å; S272-H286 PolarHBondContact OG-NE2 3.23Å; S272-Q287 WeakPolarHBondContact CA-O 3.42Å
273	W	94.5	Very high	91.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.8	158.9	64.3	-82.2	0	0	0	108.6	Y266 T267 L275 L285 Q287 I297 V306 T308 W318 L320	Y266-W273 WeakPolarHBondContact O-CA 3.36Å; T267-W273 HydrophobicContact CG2-CB 4.1Å; W273-L275 HydrophobicContact CZ3-CB 4.45Å; W273-L285 HydrophobicContact CH2-CD2 3.53Å; W273-L285 HydrophobicContact CZ2-CD2 4.18Å; W273-L285 HydrophobicContact CZ3-CD2 3.95Å; W273-Q287 HydrophobicContact CD2-CB 4.07Å; W273-Q287 VanDerWaalsContact CE2-CB 3.49Å; W273-Q287 HydrophobicContact CG-CB 4.43Å; W273-Q287 HydrophobicContact CH2-CB 4.44Å; W273-Q287 HydrophobicContact CZ2-CB 3.72Å; W273-Q287 HydrophobicContact CZ2-CG 3.73Å; W273-Q287 PolarHBondContact N-O 2.93Å; W273-Q287 PolarHBondContact O-N 2.95Å; W273-I297 HydrophobicContact CD2-CD1 4.35Å; W273-I297 HydrophobicContact CE3-CD1 3.82Å; W273-I297 HydrophobicContact CZ3-CD1 4.4Å; W273-V306 HydrophobicContact CH2-CB 4.39Å; W273-V306 HydrophobicContact CH2-CG2 4.2Å; W273-V306 HydrophobicContact CZ3-CG2 4.42Å; W273-T308 HydrophobicContact CD2-CG2 4.06Å; W273-T308 HydrophobicContact CG-CG2 3.86Å; W273-W318 AromaticContact CE2-CD1 3.84Å; W273-W318 AromaticContact CE2-NE1 3.94Å; W273-W318 HydrophobicContact CH2-CB 4.47Å; W273-W318 HydrophobicContact CZ2-CB 3.84Å; W273-W318 AromaticContact CZ2-CD1 3.7Å; W273-W318 HydrophobicContact CZ2-CD2 4.08Å; W273-W318 AromaticContact CZ2-CG 3.6Å; W273-W318 HydrophobicContact CZ2-CG 3.6Å; W273-W318 AromaticContact NE1-CD1 3.67Å; W273-W318 AromaticContact NE1-CE2 3.54Å; W273-W318 AromaticContact NE1-NE1 3.28Å; W273-L320 HydrophobicContact CH2-CD2 3.92Å; W273-L320 HydrophobicContact CZ3-CD2 4.38Å
274	R	93.6	Very high	91.4	Very high	25 Å²	25	32.4 Å²	32.4	9%	0.094	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.3	-172.3	-58.8	179.1	-167	175.1	4.3	110.7	T246 C247 G265 Y266 D270 E283 L285	T246-R274 PolarHBondContact O-NH1 3.02Å; T246-R274 PolarHBondContact OG1-NH1 3.13Å; T246-R274 VanDerWaalsContact OG1-NH1 3.13Å; C247-R274 PolarHBondContact SG-NH1 2.68Å; G265-R274 WeakPolarHBondContact CA-O 3.49Å; Y266-R274 HydrophobicContact CD2-CB 4.29Å; Y266-R274 HydrophobicContact CE1-CB 4.08Å; Y266-R274 HydrophobicContact CE2-CB 3.62Å; Y266-R274 HydrophobicContact CE2-CG 4.06Å; Y266-R274 PolarHBondContact N-O 3.1Å; Y266-R274 PolarHBondContact O-N 2.99Å; Y266-R274 WeakPolarHBondContact OH-CD 3.45Å; D270-R274 IonicContact OD2-CZ 2.97Å; D270-R274 IonicContact OD2-NE 2.8Å; D270-R274 IonicContact OD2-NH2 3.34Å; D270-R274 PolarHBondContact OD2-NH2 2.73Å; R274-E283 IonicContact NH1-OE2 3.12Å; R274-L285 CarbonylContact C-O 3.56Å; R274-L285 WeakPolarHBondContact CA-O 3.24Å
275	L	93.9	Very high	91.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.1	174.6	-167.7	72.7	0	0	0	108.9	M106 F263 W273 V284 L285 F299 L320	M106-L275 HydrophobicContact CE-CD2 4.31Å; M106-L275 HydrophobicContact SD-CD2 4.49Å; F263-L275 HydrophobicContact CB-CD1 3.84Å; F263-L275 HydrophobicContact CB-CD2 4.44Å; F263-L275 HydrophobicContact CB-CG 4.13Å; F263-L275 HydrophobicContact CD1-CD2 4.36Å; F263-L275 HydrophobicContact CG-CD2 4.39Å; W273-L275 HydrophobicContact CZ3-CB 4.45Å; L275-V284 PolarHBondContact O-N 2.83Å; L275-L285 HydrophobicContact CB-CB 3.7Å; L275-L285 PolarHBondContact N-O 2.88Å; L275-L285 PolarHBondContact O-N 3.25Å; L275-F299 HydrophobicContact CD1-CE1 4.11Å; L275-F299 HydrophobicContact CD1-CZ 3.78Å; L275-L320 HydrophobicContact CD2-CD2 4.22Å
276	Y	93.7	Very high	91.2	Very high	13 Å²	13	36.7 Å²	36.7	5%	0.051	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.9	178.6	-173.5	-96.7	0	0	0	110.3	L232 I244 F263 L264 I278 Q281 E282 E283	L232-Y276 HydrophobicContact CD1-CE1 4.25Å; I244-Y276 HydrophobicContact CD1-CD1 3.65Å; I244-Y276 HydrophobicContact CD1-CD2 3.72Å; I244-Y276 HydrophobicContact CD1-CE1 3.58Å; I244-Y276 HydrophobicContact CD1-CE2 3.65Å; I244-Y276 HydrophobicContact CD1-CG 3.7Å; I244-Y276 HydrophobicContact CG1-CD2 4.29Å; I244-Y276 HydrophobicContact CG1-CE1 4.25Å; I244-Y276 HydrophobicContact CG1-CE2 3.79Å; I244-Y276 HydrophobicContact CG2-CD2 4.33Å; I244-Y276 HydrophobicContact CG2-CE2 4.22Å; F263-Y276 CarbonylContact C-O 3.59Å; F263-Y276 VanDerWaalsContact CA-O 3.3Å; F263-Y276 WeakPolarHBondContact CA-O 3.25Å; L264-Y276 PolarHBondContact N-O 2.87Å; L264-Y276 PolarHBondContact O-N 3.39Å; Y276-I278 HydrophobicContact CD1-CG1 4.31Å; Y276-Q281 VanDerWaalsContact CZ-C 3.5Å; Y276-Q281 VanDerWaalsContact OH-C 3.3Å; Y276-Q281 WeakPolarHBondContact OH-CA 3.28Å; Y276-Q281 VanDerWaalsContact OH-CB 3.32Å; Y276-Q281 WeakPolarHBondContact OH-CB 3.44Å; Y276-Q281 PolarHBondContact OH-O 3.34Å; Y276-E282 WeakPolarHBondContact CD2-O 3.3Å; Y276-E283 HydrophobicContact CD2-CG 3.76Å; Y276-E283 HydrophobicContact CE2-CG 4.45Å
277	D	92.2	Very high	91	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.5	172.5	-171.4	-5.3	0	0	0	109.9	R262 F263 E279 Q280 Q281 E282 V284	R262-D277 WeakPolarHBondContact CG-OD1 3.5Å; R262-D277 IonicContact CZ-OD1 3.33Å; R262-D277 IonicContact CZ-OD2 3.56Å; R262-D277 IonicContact NE-OD1 3.79Å; R262-D277 PolarHBondContact NE-OD1 2.88Å; R262-D277 IonicContact NE-OD2 3.54Å; R262-D277 PolarHBondContact NE-OD2 2.82Å; R262-D277 VanDerWaalsContact NE-OD2 3.12Å; R262-D277 IonicContact NH2-OD1 3.75Å; R262-D277 IonicContact NH2-OD2 2.68Å; R262-D277 PolarHBondContact NH2-OD2 3.14Å; F263-D277 HydrophobicContact CD1-CB 3.9Å; F263-D277 HydrophobicContact CE1-CB 3.92Å; D277-E279 PolarHBondContact OD1-N 2.98Å; D277-Q280 HydrophobicContact CB-CB 4.38Å; D277-Q281 VanDerWaalsContact O-CA 3.31Å; D277-Q281 WeakPolarHBondContact O-CA 3.39Å; D277-Q281 PolarHBondContact O-N 3.45Å; D277-E282 PolarHBondContact N-O 3.47Å; D277-E282 PolarHBondContact O-N 3.33Å; D277-V284 HydrophobicContact CB-CG2 3.49Å; D277-V284 VanDerWaalsContact CB-CG2 3.49Å
278	I	88.6	Confident	90.8	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.128	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.5	-175.3	-61.7	173.7	0	0	0	111.4	I219 F257 G261 R262 L264 Y276	I219-I278 HydrophobicContact CD1-CG2 3.33Å; F257-I278 HydrophobicContact CD1-CD1 4.09Å; F257-I278 HydrophobicContact CE1-CD1 3.66Å; G261-I278 VanDerWaalsContact O-CD1 3.27Å; G261-I278 WeakPolarHBondContact O-CD1 3.13Å; R262-I278 WeakPolarHBondContact O-CB 3.04Å; R262-I278 VanDerWaalsContact O-CG1 3.23Å; R262-I278 WeakPolarHBondContact O-CG1 3.24Å; R262-I278 PolarHBondContact O-N 3.07Å; L264-I278 HydrophobicContact CB-CD1 4.47Å; Y276-I278 HydrophobicContact CD1-CG1 4.31Å
279	E	85.6	Confident	90.5	Very high	134 Å²	134	44.7 Å²	44.7	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-40.8	179.9	-74.1	178	-176.2	0	0	111.7	R262 D277	R262-E279 WeakPolarHBondContact CD-OE2 3.07Å; R262-E279 HydrophobicContact CG-CG 4.05Å; R262-E279 IonicContact CZ-OE2 2.86Å; R262-E279 IonicContact NE-OE2 2.99Å; R262-E279 PolarHBondContact NE-OE2 3.32Å; R262-E279 IonicContact NH1-OE2 3.53Å; R262-E279 PolarHBondContact NH1-OE2 2.78Å; R262-E279 IonicContact NH2-OE2 3.5Å; D277-E279 PolarHBondContact OD1-N 2.98Å
280	Q	85.1	Confident	90.4	Very high	80 Å²	80	42.1 Å²	42.1	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-16.9	-178.6	-62.4	-168.2	-25.3	0	0	113.1	D277 E282	D277-Q280 HydrophobicContact CB-CB 4.38Å; Q280-E282 VanDerWaalsContact C-N 3.26Å; Q280-E282 HydrophobicContact CB-CB 4.41Å; Q280-E282 PolarHBondContact O-N 2.91Å
281	Q	86.3	Confident	90.5	Very high	120 Å²	120	45 Å²	45	56%	0.561	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	39.8	-172.6	-59.2	-176	-11.6	0	0	112.9	Y276 D277	Y276-Q281 VanDerWaalsContact CZ-C 3.5Å; Y276-Q281 VanDerWaalsContact OH-C 3.3Å; Y276-Q281 WeakPolarHBondContact OH-CA 3.28Å; Y276-Q281 VanDerWaalsContact OH-CB 3.32Å; Y276-Q281 WeakPolarHBondContact OH-CB 3.44Å; Y276-Q281 PolarHBondContact OH-O 3.34Å; D277-Q281 VanDerWaalsContact O-CA 3.31Å; D277-Q281 WeakPolarHBondContact O-CA 3.39Å; D277-Q281 PolarHBondContact O-N 3.45Å
282	E	88.7	Confident	90.6	Very high	91 Å²	91	48.7 Å²	48.7	43%	0.425	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.9	-177.8	-167.2	-176.8	163	0	0	111.1	Y276 D277 Q280 V284	Y276-E282 WeakPolarHBondContact CD2-O 3.3Å; D277-E282 PolarHBondContact N-O 3.47Å; D277-E282 PolarHBondContact O-N 3.33Å; Q280-E282 VanDerWaalsContact C-N 3.26Å; Q280-E282 HydrophobicContact CB-CB 4.41Å; Q280-E282 PolarHBondContact O-N 2.91Å; E282-V284 PolarHBondContact O-N 2.94Å
283	E	89.4	Confident	90.6	Very high	49 Å²	49	49.1 Å²	49.1	23%	0.229	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.7	168.7	-70.9	-178.4	-176.6	0	0	110.8	I244 T246 Y266 R274 Y276	I244-E283 WeakPolarHBondContact CG2-OE1 3.27Å; T246-E283 WeakPolarHBondContact CB-OE1 3.35Å; T246-E283 WeakPolarHBondContact CB-OE2 3.36Å; T246-E283 VanDerWaalsContact CG2-CD 3.46Å; T246-E283 WeakPolarHBondContact CG2-OE1 2.91Å; T246-E283 VanDerWaalsContact OG1-CD 3.25Å; T246-E283 PolarHBondContact OG1-OE1 2.76Å; T246-E283 PolarHBondContact OG1-OE2 3.35Å; Y266-E283 PolarHBondContact OH-OE1 2.88Å; R274-E283 IonicContact NH1-OE2 3.12Å; Y276-E283 HydrophobicContact CD2-CG 3.76Å; Y276-E283 HydrophobicContact CE2-CG 4.45Å
284	V	90.5	Very high	90.6	Very high	7 Å²	7	49 Å²	49	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-34.6	-172.1	175.7	0	0	0	0	111.5	L99 A102 L275 D277 E282	L99-V284 HydrophobicContact CB-CG1 3.8Å; L99-V284 HydrophobicContact CD1-CG1 3.61Å; L99-V284 WeakPolarHBondContact CD1-O 3.4Å; L99-V284 HydrophobicContact CG-CG1 4.3Å; A102-V284 HydrophobicContact CB-CG1 3.7Å; L275-V284 PolarHBondContact O-N 2.83Å; D277-V284 HydrophobicContact CB-CG2 3.49Å; D277-V284 VanDerWaalsContact CB-CG2 3.49Å; E282-V284 PolarHBondContact O-N 2.94Å
285	L	91.3	Very high	90.7	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.3	-179.9	-171.8	71	0	0	0	110.3	L99 W273 R274 L275 Q287	L99-L285 HydrophobicContact CD1-CB 4.14Å; L99-L285 HydrophobicContact CD1-CD1 3.92Å; L99-L285 HydrophobicContact CD2-CD1 4.03Å; W273-L285 HydrophobicContact CH2-CD2 3.53Å; W273-L285 HydrophobicContact CZ2-CD2 4.18Å; W273-L285 HydrophobicContact CZ3-CD2 3.95Å; R274-L285 CarbonylContact C-O 3.56Å; R274-L285 WeakPolarHBondContact CA-O 3.24Å; L275-L285 HydrophobicContact CB-CB 3.7Å; L275-L285 PolarHBondContact N-O 2.88Å; L275-L285 PolarHBondContact O-N 3.25Å; L285-Q287 HydrophobicContact CD2-CB 4.3Å; L285-Q287 HydrophobicContact CG-CB 4.28Å
286	H	91.6	Very high	90.8	Very high	83 Å²	83	49.3 Å²	49.3	38%	0.384	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116	162.5	172.6	-131.1	0	0	0	107.3	S272 E288	S272-H286 WeakPolarHBondContact CB-NE2 3.48Å; S272-H286 PolarHBondContact OG-CD2 3.01Å; S272-H286 PolarHBondContact OG-NE2 3.23Å; H286-E288 IonicContact CE1-OE1 3.97Å; H286-E288 PolarHBondContact CE1-OE1 3.1Å; H286-E288 VanDerWaalsContact CE1-OE1 3.25Å; H286-E288 IonicContact NE2-OE1 3.62Å
287	Q	91.7	Very high	90.9	Very high	26 Å²	26	48.7 Å²	48.7	12%	0.121	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.3	-175	-171.9	65.1	49.8	0	0	111	S272 W273 L285 W318	S272-Q287 WeakPolarHBondContact CA-O 3.42Å; W273-Q287 HydrophobicContact CD2-CB 4.07Å; W273-Q287 VanDerWaalsContact CE2-CB 3.49Å; W273-Q287 HydrophobicContact CG-CB 4.43Å; W273-Q287 HydrophobicContact CH2-CB 4.44Å; W273-Q287 HydrophobicContact CZ2-CB 3.72Å; W273-Q287 HydrophobicContact CZ2-CG 3.73Å; W273-Q287 PolarHBondContact N-O 2.93Å; W273-Q287 PolarHBondContact O-N 2.95Å; L285-Q287 HydrophobicContact CD2-CB 4.3Å; L285-Q287 HydrophobicContact CG-CB 4.28Å; Q287-W318 HydrophobicContact CG-CD2 4.2Å; Q287-W318 HydrophobicContact CG-CE3 3.97Å; Q287-W318 HydrophobicContact CG-CH2 3.97Å; Q287-W318 HydrophobicContact CG-CZ2 4.2Å; Q287-W318 HydrophobicContact CG-CZ3 3.86Å; Q287-W318 VanDerWaalsContact NE2-CZ3 3.33Å
288	E	91	Very high	91	Very high	117 Å²	117	49.5 Å²	49.5	55%	0.547	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	149.1	166.9	-66.8	177.5	-173.2	0	0	110.1	H286	H286-E288 IonicContact CE1-OE1 3.97Å; H286-E288 PolarHBondContact CE1-OE1 3.1Å; H286-E288 VanDerWaalsContact CE1-OE1 3.25Å; H286-E288 IonicContact NE2-OE1 3.62Å
289	G	85.3	Confident	91.3	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	25%	0.247	S	C	.	.			trans	-172.4	-48.9	172.6	0	0	0	0	0	111.2	R316	G289-R316 PolarHBondContact O-NH1 3.23Å; G289-R316 PolarHBondContact O-NH2 2.56Å
290	H	91.3	Very high	91.7	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.032	22%	0.219	C	C	.	.			trans	-67.6	149	-177.2	-69	-86.9	0	0	0	111.1	T271 K292 V294 T308 D312 Y314	T271-H290 WeakPolarHBondContact CB-O 3.34Å; H290-K292 VanDerWaalsContact C-N 3.26Å; H290-K292 WeakPolarHBondContact CB-O 3.14Å; H290-V294 HydrophobicContact CB-CG2 4.09Å; H290-V294 VanDerWaalsContact CD2-CG2 3.48Å; H290-V294 WeakPolarHBondContact CD2-CG2 3.34Å; H290-T308 PolarHBondContact NE2-OG1 3.48Å; H290-D312 WeakPolarHBondContact CA-OD2 3.43Å; H290-D312 WeakPolarHBondContact CB-OD2 3.36Å; H290-D312 IonicContact CE1-OD1 3.77Å; H290-D312 IonicContact CG-OD1 3.09Å; H290-D312 IonicContact CG-OD2 3.25Å; H290-D312 VanDerWaalsContact ND1-CG 3.28Å; H290-D312 IonicContact ND1-OD1 2.77Å; H290-D312 PolarHBondContact ND1-OD1 3.02Å; H290-D312 IonicContact ND1-OD2 3.67Å; H290-D312 PolarHBondContact ND1-OD2 2.84Å; H290-Y314 PolarHBondContact CE1-O 3.14Å; H290-Y314 VanDerWaalsContact CE1-O 3.25Å
291	S	91.3	Very high	91.8	Very high	88 Å²	88	42.2 Å²	42.2	62%	0.615	22%	0.221	S	C	*	.	S	Bend	trans	-81.7	-11	175.1	58.7	0	0	0	0	112.8	D312	S291-D312 PolarHBondContact N-OD2 2.91Å; S291-D312 VanDerWaalsContact OG-CB 3.27Å; S291-D312 WeakPolarHBondContact OG-CB 3.27Å
292	K	93.8	Very high	91.9	Very high	120 Å²	120	36.8 Å²	36.8	52%	0.522	20%	0.195	S	C	.	.	S	Bend	trans	-135.6	173.5	176.6	-64.7	-177.9	-178.4	171.4	0	109.3	H290 L311 D312	H290-K292 VanDerWaalsContact C-N 3.26Å; H290-K292 WeakPolarHBondContact CB-O 3.14Å; K292-L311 HydrophobicContact CB-CB 4.08Å; K292-L311 WeakPolarHBondContact CD-O 3.07Å; K292-D312 HydrophobicContact CB-CB 4.14Å; K292-D312 HydrophobicContact CG-CB 4.34Å
293	A	93.5	Very high	92	Very high	9 Å²	9	32.4 Å²	32.4	7%	0.074	18%	0.175	C	C	.	.			trans	-47.1	141.3	176.9	0	0	0	0	0	113.6	F269 L311	F269-A293 HydrophobicContact CB-CB 3.95Å; F269-A293 HydrophobicContact CD1-CB 3.45Å; F269-A293 VanDerWaalsContact CD1-CB 3.45Å; F269-A293 HydrophobicContact CD2-CB 4.33Å; F269-A293 HydrophobicContact CE1-CB 4.02Å; F269-A293 HydrophobicContact CG-CB 3.64Å; A293-L311 HydrophobicContact CB-CD1 3.92Å; A293-L311 HydrophobicContact CB-CG 4.28Å; A293-L311 PolarHBondContact O-N 2.98Å
294	V	95.3	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128	173.5	-169.8	0	0	0	0	108.6	T267 C268 H290 T308	T267-V294 WeakPolarHBondContact CB-O 3.31Å; T267-V294 HydrophobicContact CG2-CB 4.09Å; T267-V294 HydrophobicContact CG2-CG1 3.5Å; C268-V294 PolarHBondContact O-N 2.77Å; H290-V294 HydrophobicContact CB-CG2 4.09Å; H290-V294 VanDerWaalsContact CD2-CG2 3.48Å; H290-V294 WeakPolarHBondContact CD2-CG2 3.34Å; V294-T308 HydrophobicContact CG1-CG2 4.37Å
295	Y	94.9	Very high	92.2	Very high	33 Å²	33	31 Å²	31	13%	0.129	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-53.2	-175.5	-167.9	-90.6	0	0	0	112.4	A253 R254 T267 F269 G309 L311 L337	A253-Y295 HydrophobicContact CB-CD2 4.2Å; A253-Y295 HydrophobicContact CB-CG 4.45Å; A253-Y295 WeakPolarHBondContact CB-O 3.29Å; R254-Y295 VanDerWaalsContact CB-O 3.28Å; R254-Y295 WeakPolarHBondContact CB-O 3.45Å; R254-Y295 WeakPolarHBondContact CG-O 3.43Å; T267-Y295 PolarHBondContact OG1-O 3.38Å; T267-Y295 VanDerWaalsContact OG1-O 3.07Å; F269-Y295 HydrophobicContact CZ-CD2 4.46Å; Y295-G309 PolarHBondContact N-O 3.02Å; Y295-L311 HydrophobicContact CD2-CD2 4.25Å; Y295-L311 HydrophobicContact CG-CD2 4.46Å; Y295-L337 HydrophobicContact CD1-CB 4.3Å; Y295-L337 HydrophobicContact CD1-CD2 4.24Å; Y295-L337 WeakPolarHBondContact CD1-O 3.4Å; Y295-L337 HydrophobicContact CD2-CD2 4.35Å; Y295-L337 HydrophobicContact CE1-CB 4.17Å; Y295-L337 HydrophobicContact CE1-CD2 4.19Å; Y295-L337 WeakPolarHBondContact CE1-O 3.4Å; Y295-L337 HydrophobicContact CE2-CD2 4.32Å; Y295-L337 HydrophobicContact CG-CD2 4.29Å
296	D	95.3	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.2	-176.6	-156.2	16.2	0	0	0	112.4	R254 T308 G309 T338 V339 K380	R254-D296 WeakPolarHBondContact CB-OD1 3.25Å; R254-D296 HydrophobicContact CG-CB 4.3Å; R254-D296 WeakPolarHBondContact CG-OD1 3.44Å; D296-T308 WeakPolarHBondContact O-CA 3.42Å; D296-G309 PolarHBondContact N-O 3.04Å; D296-G309 PolarHBondContact O-N 2.66Å; D296-T338 VanDerWaalsContact OD2-CA 3.27Å; D296-T338 WeakPolarHBondContact OD2-CA 3.26Å; D296-V339 HydrophobicContact CB-CB 4.18Å; D296-V339 HydrophobicContact CB-CG2 4.42Å; D296-V339 PolarHBondContact OD2-N 2.84Å; D296-K380 IonicContact OD1-NZ 3.72Å; D296-K380 PolarHBondContact OD1-NZ 3.2Å; D296-K380 IonicContact OD2-NZ 2.73Å; D296-K380 PolarHBondContact OD2-NZ 3.4Å
297	I	95.6	Very high	92.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.2	179.2	-173.5	166.3	0	0	0	109.8	A256 T267 W273 F299 V306 L307 T308	A256-I297 HydrophobicContact CB-CG2 4.1Å; T267-I297 HydrophobicContact CG2-CB 3.56Å; T267-I297 HydrophobicContact CG2-CD1 4.45Å; T267-I297 HydrophobicContact CG2-CG2 3.76Å; W273-I297 HydrophobicContact CD2-CD1 4.35Å; W273-I297 HydrophobicContact CE3-CD1 3.82Å; W273-I297 HydrophobicContact CZ3-CD1 4.4Å; I297-F299 HydrophobicContact CD1-CE2 4.42Å; I297-F299 HydrophobicContact CD1-CZ 4.41Å; I297-V306 HydrophobicContact CD1-CG1 3.63Å; I297-V306 HydrophobicContact CG1-CG1 3.44Å; I297-V306 VanDerWaalsContact CG1-CG1 3.44Å; I297-L307 WeakPolarHBondContact CA-O 3.43Å; I297-T308 HydrophobicContact CD1-CG2 4.37Å; I297-T308 HydrophobicContact CG1-CG2 4.23Å
298	S	95.2	Very high	92.8	Very high	17 Å²	17	25.4 Å²	25.4	12%	0.119	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.5	173.6	-171.8	0	0	0	0	109.9	L307 F341	S298-L307 PolarHBondContact N-O 3.46Å; S298-L307 PolarHBondContact O-N 2.51Å; S298-F341 WeakPolarHBondContact O-CE2 3.45Å; S298-F341 PolarHBondContact OG-N 2.92Å
299	F	94.4	Very high	93	Very high	16 Å²	16	19.9 Å²	19.9	7%	0.07	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	147	169.9	-68.7	-88.5	0	0	0	110.2	A256 F257 H258 P259 L275 I297 V306 L320 F341	A256-F299 HydrophobicContact CB-CD2 3.65Å; A256-F299 HydrophobicContact CB-CE2 3.82Å; A256-F299 VanDerWaalsContact O-CE2 3.25Å; A256-F299 WeakPolarHBondContact O-CE2 3.47Å; F257-F299 VanDerWaalsContact O-CD2 3.32Å; F257-F299 WeakPolarHBondContact O-CD2 3.35Å; H258-F299 HydrophobicContact CB-CD1 4.36Å; H258-F299 HydrophobicContact CB-CE1 4.32Å; H258-F299 AromaticContact CD2-CD1 3.75Å; P259-F299 HydrophobicContact CG-CB 4.48Å; L275-F299 HydrophobicContact CD1-CE1 4.11Å; L275-F299 HydrophobicContact CD1-CZ 3.78Å; I297-F299 HydrophobicContact CD1-CE2 4.42Å; I297-F299 HydrophobicContact CD1-CZ 4.41Å; F299-V306 HydrophobicContact CD1-CG2 3.51Å; F299-V306 HydrophobicContact CE1-CG2 3.29Å; F299-V306 HydrophobicContact CG-CG2 4.47Å; F299-V306 HydrophobicContact CZ-CG2 4.11Å; F299-L320 HydrophobicContact CD1-CD1 3.89Å; F299-L320 HydrophobicContact CE1-CD1 3.79Å; F299-F341 WeakPolarHBondContact O-CD2 3.17Å
300	Q	93.5	Very high	93.4	Very high	9 Å²	9	18.6 Å²	18.6	4%	0.042	11%	0.105	C	C	.	.			trans	-68.3	148.8	166.1	-173.1	-175.1	-23.2	0	0	109.3	P259 D302 G303 S304 V305 F341	P259-Q300 VanDerWaalsContact CG-O 3.26Å; P259-Q300 WeakPolarHBondContact CG-O 3.43Å; Q300-D302 PolarHBondContact NE2-OD2 3.08Å; Q300-D302 PolarHBondContact O-N 3.28Å; Q300-D302 VanDerWaalsContact O-N 3.12Å; Q300-G303 WeakPolarHBondContact O-CA 3.16Å; Q300-G303 PolarHBondContact O-N 3.16Å; Q300-S304 PolarHBondContact NE2-OG 3.47Å; Q300-S304 PolarHBondContact OE1-OG 3.29Å; Q300-V305 HydrophobicContact CB-CB 4.3Å; Q300-V305 WeakPolarHBondContact CB-O 2.89Å; Q300-V305 PolarHBondContact N-O 2.75Å; Q300-V305 VanDerWaalsContact OE1-CB 3.29Å; Q300-F341 HydrophobicContact CB-CD1 4.07Å; Q300-F341 HydrophobicContact CB-CD2 4.3Å; Q300-F341 HydrophobicContact CB-CE1 3.97Å; Q300-F341 HydrophobicContact CB-CE2 4.2Å; Q300-F341 HydrophobicContact CB-CG 4.23Å; Q300-F341 HydrophobicContact CB-CZ 4.06Å; Q300-F341 HydrophobicContact CG-CD1 4.15Å; Q300-F341 HydrophobicContact CG-CE1 4.21Å
301	C	88.4	Confident	93.6	Very high	61 Å²	61	20.3 Å²	20.3	41%	0.412	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30	179.3	-54.5	0	0	0	0	114	P259 G303	P259-C301 WeakPolarHBondContact CG-O 3.46Å; C301-G303 VanDerWaalsContact C-N 3.28Å; C301-G303 PolarHBondContact O-N 3.34Å
302	D	88.9	Confident	93.7	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.9	176.1	-55.1	-17.2	0	0	0	113	S110 K113 A114 R117 Q300 S304	S110-D302 VanDerWaalsContact CA-O 3.27Å; S110-D302 WeakPolarHBondContact CA-O 3.33Å; S110-D302 VanDerWaalsContact CB-O 3.28Å; S110-D302 WeakPolarHBondContact CB-O 3.44Å; K113-D302 HydrophobicContact CB-CB 4.34Å; A114-D302 WeakPolarHBondContact CA-OD2 3.36Å; A114-D302 HydrophobicContact CB-CB 4.37Å; R117-D302 WeakPolarHBondContact CD-OD1 3.26Å; R117-D302 IonicContact CZ-OD2 2.81Å; R117-D302 IonicContact NE-OD1 2.69Å; R117-D302 PolarHBondContact NE-OD1 2.89Å; R117-D302 IonicContact NE-OD2 3.91Å; R117-D302 PolarHBondContact NE-OD2 3.18Å; R117-D302 IonicContact NH2-OD2 3.52Å; R117-D302 PolarHBondContact NH2-OD2 3.43Å; Q300-D302 PolarHBondContact NE2-OD2 3.08Å; Q300-D302 PolarHBondContact O-N 3.28Å; Q300-D302 VanDerWaalsContact O-N 3.12Å; D302-S304 VanDerWaalsContact C-N 3.27Å; D302-S304 PolarHBondContact O-N 3.29Å
303	G	88.9	Confident	93.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	76.1	5.2	-173.8	0	0	0	0	0	115.1	H258 Q300 C301 L320	H258-G303 WeakPolarHBondContact NE2-CA 3.23Å; H258-G303 PolarHBondContact NE2-O 2.91Å; Q300-G303 WeakPolarHBondContact O-CA 3.16Å; Q300-G303 PolarHBondContact O-N 3.16Å; C301-G303 VanDerWaalsContact C-N 3.28Å; C301-G303 PolarHBondContact O-N 3.34Å; G303-L320 WeakPolarHBondContact O-CD1 3.3Å
304	S	91	Very high	93.8	Very high	16 Å²	16	15.4 Å²	15.4	11%	0.112	8%	0.082	C	C	.	.	S	Bend	trans	-73.1	-36.8	-179.8	46.2	0	0	0	0	113.8	Q300 D302 L320	Q300-S304 PolarHBondContact NE2-OG 3.47Å; Q300-S304 PolarHBondContact OE1-OG 3.29Å; D302-S304 VanDerWaalsContact C-N 3.27Å; D302-S304 PolarHBondContact O-N 3.29Å; S304-L320 PolarHBondContact O-N 3.47Å; S304-L320 VanDerWaalsContact O-N 3.11Å
305	V	94.2	Very high	93.8	Very high	9 Å²	9	15.5 Å²	15.5	6%	0.055	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144	-164.9	179.3	0	0	0	0	110.2	Q300 V317 W318 I326 F341	Q300-V305 HydrophobicContact CB-CB 4.3Å; Q300-V305 WeakPolarHBondContact CB-O 2.89Å; Q300-V305 PolarHBondContact N-O 2.75Å; Q300-V305 VanDerWaalsContact OE1-CB 3.29Å; V305-V317 HydrophobicContact CG1-CB 4.49Å; V305-V317 HydrophobicContact CG1-CG1 3.15Å; V305-W318 CarbonylContact C-O 3.58Å; V305-W318 VanDerWaalsContact CA-O 3.26Å; V305-W318 WeakPolarHBondContact CA-O 3.35Å; V305-W318 WeakPolarHBondContact CG1-O 3.28Å; V305-I326 HydrophobicContact CG1-CD1 4.49Å; V305-I326 HydrophobicContact CG2-CD1 3.94Å; V305-F341 HydrophobicContact CB-CZ 4.41Å; V305-F341 HydrophobicContact CG1-CZ 3.97Å
306	V	95.5	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.7	169.7	-175.5	0	0	0	0	109.5	W273 I297 F299 T308 V317 W318 L320	W273-V306 HydrophobicContact CH2-CB 4.39Å; W273-V306 HydrophobicContact CH2-CG2 4.2Å; W273-V306 HydrophobicContact CZ3-CG2 4.42Å; I297-V306 HydrophobicContact CD1-CG1 3.63Å; I297-V306 HydrophobicContact CG1-CG1 3.44Å; I297-V306 VanDerWaalsContact CG1-CG1 3.44Å; F299-V306 HydrophobicContact CD1-CG2 3.51Å; F299-V306 HydrophobicContact CE1-CG2 3.29Å; F299-V306 HydrophobicContact CG-CG2 4.47Å; F299-V306 HydrophobicContact CZ-CG2 4.11Å; V306-T308 HydrophobicContact CG1-CG2 3.95Å; V306-V317 CarbonylContact O-C 3.5Å; V306-V317 WeakPolarHBondContact O-CA 3.2Å; V306-W318 HydrophobicContact CB-CB 4.37Å; V306-W318 PolarHBondContact N-O 2.85Å; V306-W318 PolarHBondContact O-N 3.38Å; V306-L320 HydrophobicContact CG2-CD1 3.41Å; V306-L320 VanDerWaalsContact CG2-CD1 3.41Å; V306-L320 HydrophobicContact CG2-CD2 3.52Å; V306-L320 HydrophobicContact CG2-CG 3.56Å
307	L	95.5	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.5	169.4	-178.8	66.4	0	0	0	108.3	I297 S298 R316 V317 L329 V339 F341 M348	I297-L307 WeakPolarHBondContact CA-O 3.43Å; S298-L307 PolarHBondContact N-O 3.46Å; S298-L307 PolarHBondContact O-N 2.51Å; L307-R316 WeakPolarHBondContact CA-O 3.45Å; L307-V317 HydrophobicContact CD1-CB 4.47Å; L307-V317 HydrophobicContact CD1-CG2 3.42Å; L307-V317 VanDerWaalsContact CD1-CG2 3.42Å; L307-L329 HydrophobicContact CD1-CD1 3.47Å; L307-L329 VanDerWaalsContact CD1-CD1 3.47Å; L307-L329 HydrophobicContact CD1-CG 4.33Å; L307-V339 HydrophobicContact CB-CG1 3.77Å; L307-V339 HydrophobicContact CD1-CG1 4.43Å; L307-V339 HydrophobicContact CD2-CG1 3.17Å; L307-V339 HydrophobicContact CG-CG1 3.17Å; L307-F341 HydrophobicContact CB-CD2 4.11Å; L307-F341 HydrophobicContact CB-CE2 3.28Å; L307-F341 HydrophobicContact CB-CZ 3.67Å; L307-F341 HydrophobicContact CD2-CE2 4.37Å; L307-F341 HydrophobicContact CG-CE2 4.47Å; L307-M348 HydrophobicContact CD1-SD 3.97Å; L307-M348 HydrophobicContact CD2-CB 3.66Å; L307-M348 HydrophobicContact CD2-CG 3.87Å; L307-M348 HydrophobicContact CD2-SD 3.8Å; L307-M348 HydrophobicContact CG-SD 4.32Å
308	T	96	Very high	93.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.4	177.2	59.3	0	0	0	0	110	W273 H290 V294 D296 I297 V306 G315 R316 W318	W273-T308 HydrophobicContact CD2-CG2 4.06Å; W273-T308 HydrophobicContact CG-CG2 3.86Å; H290-T308 PolarHBondContact NE2-OG1 3.48Å; V294-T308 HydrophobicContact CG1-CG2 4.37Å; D296-T308 WeakPolarHBondContact O-CA 3.42Å; I297-T308 HydrophobicContact CD1-CG2 4.37Å; I297-T308 HydrophobicContact CG1-CG2 4.23Å; V306-T308 HydrophobicContact CG1-CG2 3.95Å; T308-G315 CarbonylContact O-C 3.56Å; T308-G315 VanDerWaalsContact O-CA 3.26Å; T308-G315 WeakPolarHBondContact O-CA 3.49Å; T308-R316 PolarHBondContact N-O 3.36Å; T308-R316 PolarHBondContact O-N 2.93Å; T308-R316 PolarHBondContact OG1-O 3.35Å; T308-W318 PolarHBondContact OG1-NE1 2.89Å
309	G	95	Very high	93.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	174.4	0	0	0	0	0	110.3	Y295 D296	Y295-G309 PolarHBondContact N-O 3.02Å; D296-G309 PolarHBondContact N-O 3.04Å; D296-G309 PolarHBondContact O-N 2.66Å
310	G	94.5	Very high	93.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	163.7	-178.4	0	0	0	0	0	114.4	D312 C313 Y314 I336	G310-D312 VanDerWaalsContact CA-OD1 3.28Å; G310-D312 WeakPolarHBondContact CA-OD1 3.48Å; G310-D312 PolarHBondContact O-N 3.47Å; G310-C313 PolarHBondContact O-N 3.47Å; G310-Y314 PolarHBondContact N-O 3.44Å; G310-Y314 VanDerWaalsContact N-O 3.1Å; G310-I336 PolarHBondContact O-N 3.25Å; G310-I336 VanDerWaalsContact O-N 3.1Å
311	L	94.9	Very high	93.5	Very high	42 Å²	42	19.5 Å²	19.5	22%	0.22	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-3.9	167.2	-60.9	-172.6	0	0	0	112.7	F269 K292 A293 Y295 C313 P335 L337	F269-L311 HydrophobicContact CE1-CD1 3.9Å; F269-L311 HydrophobicContact CZ-CD1 4.39Å; K292-L311 HydrophobicContact CB-CB 4.08Å; K292-L311 WeakPolarHBondContact CD-O 3.07Å; A293-L311 HydrophobicContact CB-CD1 3.92Å; A293-L311 HydrophobicContact CB-CG 4.28Å; A293-L311 PolarHBondContact O-N 2.98Å; Y295-L311 HydrophobicContact CD2-CD2 4.25Å; Y295-L311 HydrophobicContact CG-CD2 4.46Å; L311-C313 PolarHBondContact O-N 3.48Å; L311-P335 HydrophobicContact CB-CB 4.22Å; L311-P335 HydrophobicContact CD2-CB 3.57Å; L311-P335 HydrophobicContact CD2-CG 4.47Å; L311-L337 HydrophobicContact CD2-CD2 4.37Å
312	D	93.9	Very high	93.5	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.053	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	4.4	170.6	63.7	-13.2	0	0	0	113	H290 S291 K292 G310 Y314	H290-D312 WeakPolarHBondContact CA-OD2 3.43Å; H290-D312 WeakPolarHBondContact CB-OD2 3.36Å; H290-D312 IonicContact CE1-OD1 3.77Å; H290-D312 IonicContact CG-OD1 3.09Å; H290-D312 IonicContact CG-OD2 3.25Å; H290-D312 VanDerWaalsContact ND1-CG 3.28Å; H290-D312 IonicContact ND1-OD1 2.77Å; H290-D312 PolarHBondContact ND1-OD1 3.02Å; H290-D312 IonicContact ND1-OD2 3.67Å; H290-D312 PolarHBondContact ND1-OD2 2.84Å; S291-D312 PolarHBondContact N-OD2 2.91Å; S291-D312 VanDerWaalsContact OG-CB 3.27Å; S291-D312 WeakPolarHBondContact OG-CB 3.27Å; K292-D312 HydrophobicContact CB-CB 4.14Å; K292-D312 HydrophobicContact CG-CB 4.34Å; G310-D312 VanDerWaalsContact CA-OD1 3.28Å; G310-D312 WeakPolarHBondContact CA-OD1 3.48Å; G310-D312 PolarHBondContact O-N 3.47Å; D312-Y314 HydrophobicContact CB-CD2 4.02Å; D312-Y314 WeakPolarHBondContact O-CD2 3.17Å; D312-Y314 WeakPolarHBondContact O-CE2 3.38Å; D312-Y314 PolarHBondContact O-N 3.23Å; D312-Y314 PolarHBondContact OD1-N 3.24Å
313	C	94.3	Very high	93.4	Very high	25 Å²	25	20.5 Å²	20.5	17%	0.169	10%	0.103	C	C	.	.	S	Bend	trans	70.3	3	-176.8	-47.3	0	0	0	0	114.1	G310 L311 H332 K334	G310-C313 PolarHBondContact O-N 3.47Å; L311-C313 PolarHBondContact O-N 3.48Å; C313-H332 WeakPolarHBondContact CB-O 3.37Å; C313-K334 VanDerWaalsContact SG-CA 3.53Å
314	Y	94.7	Very high	93.4	Very high	80 Å²	80	27.4 Å²	27.4	31%	0.314	13%	0.129	S	C	.	.			trans	-105.9	141.3	-178.9	-60.3	-67.8	0	0	0	110.9	H290 G310 D312 F328 E330 I336	H290-Y314 PolarHBondContact CE1-O 3.14Å; H290-Y314 VanDerWaalsContact CE1-O 3.25Å; G310-Y314 PolarHBondContact N-O 3.44Å; G310-Y314 VanDerWaalsContact N-O 3.1Å; D312-Y314 HydrophobicContact CB-CD2 4.02Å; D312-Y314 WeakPolarHBondContact O-CD2 3.17Å; D312-Y314 WeakPolarHBondContact O-CE2 3.38Å; D312-Y314 PolarHBondContact O-N 3.23Å; D312-Y314 PolarHBondContact OD1-N 3.24Å; Y314-F328 HydrophobicContact CD1-CD1 4.35Å; Y314-F328 AromaticContact CD1-CE1 3.28Å; Y314-F328 HydrophobicContact CD1-CE1 3.28Å; Y314-F328 HydrophobicContact CD1-CE2 4.02Å; Y314-F328 AromaticContact CD1-CZ 3.08Å; Y314-F328 HydrophobicContact CD1-CZ 3.08Å; Y314-F328 HydrophobicContact CD2-CE2 4.38Å; Y314-F328 AromaticContact CD2-CZ 3.77Å; Y314-F328 HydrophobicContact CD2-CZ 3.77Å; Y314-F328 AromaticContact CE1-CE1 3.49Å; Y314-F328 HydrophobicContact CE1-CE1 3.49Å; Y314-F328 VanDerWaalsContact CE1-CE1 3.49Å; Y314-F328 AromaticContact CE1-CZ 3.5Å; Y314-F328 HydrophobicContact CE1-CZ 3.5Å; Y314-F328 VanDerWaalsContact CE1-CZ 3.5Å; Y314-F328 HydrophobicContact CE2-CZ 4.14Å; Y314-F328 AromaticContact CG-CE1 3.95Å; Y314-F328 HydrophobicContact CG-CE1 3.95Å; Y314-F328 AromaticContact CG-CE2 3.81Å; Y314-F328 HydrophobicContact CG-CE2 3.81Å; Y314-F328 AromaticContact CG-CZ 3.22Å; Y314-F328 HydrophobicContact CG-CZ 3.22Å; Y314-E330 HydrophobicContact CD1-CB 4.48Å; Y314-E330 HydrophobicContact CE1-CB 4.38Å; Y314-E330 HydrophobicContact CE1-CG 4.09Å; Y314-I336 VanDerWaalsContact C-CD1 3.43Å
315	G	94.9	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.6	166.3	0	0	0	0	0	109.4	T308 L329 I336	T308-G315 CarbonylContact O-C 3.56Å; T308-G315 VanDerWaalsContact O-CA 3.26Å; T308-G315 WeakPolarHBondContact O-CA 3.49Å; G315-L329 PolarHBondContact N-O 3.15Å; G315-L329 WeakPolarHBondContact O-CB 3.31Å; G315-L329 PolarHBondContact O-N 2.88Å; G315-I336 VanDerWaalsContact N-CD1 3.34Å
316	R	94.8	Very high	93.3	Very high	47 Å²	47	31.4 Å²	31.4	18%	0.177	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.3	177.2	-66	-177.1	-172.6	-156.6	7.2	110.7	G289 L307 T308 W318 F328	G289-R316 PolarHBondContact O-NH1 3.23Å; G289-R316 PolarHBondContact O-NH2 2.56Å; L307-R316 WeakPolarHBondContact CA-O 3.45Å; T308-R316 PolarHBondContact N-O 3.36Å; T308-R316 PolarHBondContact O-N 2.93Å; T308-R316 PolarHBondContact OG1-O 3.35Å; R316-W318 HydrophobicContact CB-CZ2 3.99Å; R316-W318 HydrophobicContact CG-CZ2 4.44Å; R316-F328 HydrophobicContact CG-CD2 4.06Å; R316-F328 HydrophobicContact CG-CE2 4.38Å
317	V	95.6	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.2	179.8	-179.3	0	0	0	0	108.2	V305 V306 L307 C325 I326 M327 L329 M348 L362	V305-V317 HydrophobicContact CG1-CB 4.49Å; V305-V317 HydrophobicContact CG1-CG1 3.15Å; V306-V317 CarbonylContact O-C 3.5Å; V306-V317 WeakPolarHBondContact O-CA 3.2Å; L307-V317 HydrophobicContact CD1-CB 4.47Å; L307-V317 HydrophobicContact CD1-CG2 3.42Å; L307-V317 VanDerWaalsContact CD1-CG2 3.42Å; V317-C325 CarbonylContact O-C 3.58Å; V317-C325 WeakPolarHBondContact O-CA 3.5Å; V317-I326 HydrophobicContact CG1-CB 4.39Å; V317-I326 HydrophobicContact CG1-CD1 4.47Å; V317-I326 PolarHBondContact O-N 3.13Å; V317-M327 HydrophobicContact CB-CB 3.91Å; V317-M327 HydrophobicContact CG2-CB 3.93Å; V317-M327 PolarHBondContact N-O 3.01Å; V317-L329 HydrophobicContact CG2-CD2 4.27Å; V317-L329 HydrophobicContact CG2-CG 4.41Å; V317-M348 HydrophobicContact CG2-CE 3.78Å; V317-M348 HydrophobicContact CG2-SD 3.72Å; V317-L362 HydrophobicContact CG1-CD2 4.13Å
318	W	94.7	Very high	93	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.7	-176.1	-54.4	95.6	0	0	0	111.1	W273 Q287 V305 V306 T308 R316 C325	W273-W318 AromaticContact CE2-CD1 3.84Å; W273-W318 AromaticContact CE2-NE1 3.94Å; W273-W318 HydrophobicContact CH2-CB 4.47Å; W273-W318 HydrophobicContact CZ2-CB 3.84Å; W273-W318 AromaticContact CZ2-CD1 3.7Å; W273-W318 HydrophobicContact CZ2-CD2 4.08Å; W273-W318 AromaticContact CZ2-CG 3.6Å; W273-W318 HydrophobicContact CZ2-CG 3.6Å; W273-W318 AromaticContact NE1-CD1 3.67Å; W273-W318 AromaticContact NE1-CE2 3.54Å; W273-W318 AromaticContact NE1-NE1 3.28Å; Q287-W318 HydrophobicContact CG-CD2 4.2Å; Q287-W318 HydrophobicContact CG-CE3 3.97Å; Q287-W318 HydrophobicContact CG-CH2 3.97Å; Q287-W318 HydrophobicContact CG-CZ2 4.2Å; Q287-W318 HydrophobicContact CG-CZ3 3.86Å; Q287-W318 VanDerWaalsContact NE2-CZ3 3.33Å; V305-W318 CarbonylContact C-O 3.58Å; V305-W318 VanDerWaalsContact CA-O 3.26Å; V305-W318 WeakPolarHBondContact CA-O 3.35Å; V305-W318 WeakPolarHBondContact CG1-O 3.28Å; V306-W318 HydrophobicContact CB-CB 4.37Å; V306-W318 PolarHBondContact N-O 2.85Å; V306-W318 PolarHBondContact O-N 3.38Å; T308-W318 PolarHBondContact OG1-NE1 2.89Å; R316-W318 HydrophobicContact CB-CZ2 3.99Å; R316-W318 HydrophobicContact CG-CZ2 4.44Å; W318-C325 HydrophobicContact CD2-CB 4.42Å; W318-C325 HydrophobicContact CE3-CB 3.8Å; W318-C325 HydrophobicContact CH2-CB 4.27Å; W318-C325 HydrophobicContact CZ3-CB 3.72Å
319	D	94.3	Very high	92.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116	168.5	-172.9	21.7	0	0	0	109.5	R321 T322 G323 R324 I326	D319-R321 PolarHBondContact O-N 2.68Å; D319-R321 IonicContact OD1-CZ 2.7Å; D319-R321 VanDerWaalsContact OD1-CZ 3.27Å; D319-R321 IonicContact OD1-NE 3.91Å; D319-R321 PolarHBondContact OD1-NE 3.33Å; D319-R321 IonicContact OD1-NH2 3.86Å; D319-R321 PolarHBondContact OD1-NH2 2.8Å; D319-R321 IonicContact OD2-CZ 3.23Å; D319-R321 IonicContact OD2-NE 3.84Å; D319-R321 IonicContact OD2-NH2 2.92Å; D319-R321 PolarHBondContact OD2-NH2 2.78Å; D319-T322 WeakPolarHBondContact CB-OG1 3.42Å; D319-T322 PolarHBondContact O-N 3.19Å; D319-T322 VanDerWaalsContact OD2-CG2 3.31Å; D319-T322 WeakPolarHBondContact OD2-CG2 3.29Å; D319-T322 PolarHBondContact OD2-OG1 3Å; D319-G323 VanDerWaalsContact O-CA 3.31Å; D319-G323 WeakPolarHBondContact O-CA 3.49Å; D319-G323 PolarHBondContact O-N 2.99Å; D319-R324 PolarHBondContact N-O 2.99Å; D319-I326 HydrophobicContact CB-CD1 3.6Å; D319-I326 HydrophobicContact CB-CG1 3.84Å
320	L	92.1	Very high	92.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.5	-175.7	-70.6	160	0	0	0	112.2	R103 M106 W273 L275 F299 G303 S304 V306	R103-L320 WeakPolarHBondContact CG-O 3.1Å; R103-L320 PolarHBondContact NE-O 3.41Å; M106-L320 HydrophobicContact CE-CB 3.38Å; M106-L320 HydrophobicContact CE-CD1 3.15Å; M106-L320 HydrophobicContact CE-CD2 3.91Å; M106-L320 HydrophobicContact CE-CG 3.61Å; M106-L320 HydrophobicContact SD-CB 3.86Å; W273-L320 HydrophobicContact CH2-CD2 3.92Å; W273-L320 HydrophobicContact CZ3-CD2 4.38Å; L275-L320 HydrophobicContact CD2-CD2 4.22Å; F299-L320 HydrophobicContact CD1-CD1 3.89Å; F299-L320 HydrophobicContact CE1-CD1 3.79Å; G303-L320 WeakPolarHBondContact O-CD1 3.3Å; S304-L320 PolarHBondContact O-N 3.47Å; S304-L320 VanDerWaalsContact O-N 3.11Å; V306-L320 HydrophobicContact CG2-CD1 3.41Å; V306-L320 VanDerWaalsContact CG2-CD1 3.41Å; V306-L320 HydrophobicContact CG2-CD2 3.52Å; V306-L320 HydrophobicContact CG2-CG 3.56Å
321	R	91	Very high	92.3	Very high	88 Å²	88	43.9 Å²	43.9	33%	0.332	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.9	-176.8	-57.3	169.8	-61.4	112.7	6.9	112.1	R103 V107 D319	R103-R321 WeakPolarHBondContact CD-O 3.43Å; V107-R321 HydrophobicContact CG2-CB 3.94Å; V107-R321 HydrophobicContact CG2-CG 3.67Å; D319-R321 PolarHBondContact O-N 2.68Å; D319-R321 IonicContact OD1-CZ 2.7Å; D319-R321 VanDerWaalsContact OD1-CZ 3.27Å; D319-R321 IonicContact OD1-NE 3.91Å; D319-R321 PolarHBondContact OD1-NE 3.33Å; D319-R321 IonicContact OD1-NH2 3.86Å; D319-R321 PolarHBondContact OD1-NH2 2.8Å; D319-R321 IonicContact OD2-CZ 3.23Å; D319-R321 IonicContact OD2-NE 3.84Å; D319-R321 IonicContact OD2-NH2 2.92Å; D319-R321 PolarHBondContact OD2-NH2 2.78Å
322	T	88.7	Confident	92.2	Very high	69 Å²	69	42.5 Å²	42.5	42%	0.423	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-19.8	-178.2	59.6	0	0	0	0	113.1	D319 R324	D319-T322 WeakPolarHBondContact CB-OG1 3.42Å; D319-T322 PolarHBondContact O-N 3.19Å; D319-T322 VanDerWaalsContact OD2-CG2 3.31Å; D319-T322 WeakPolarHBondContact OD2-CG2 3.29Å; D319-T322 PolarHBondContact OD2-OG1 3Å; T322-R324 PolarHBondContact O-N 2.85Å; T322-R324 PolarHBondContact OG1-N 3.25Å
323	G	86.3	Confident	92.2	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	25%	0.246	C	C	.	.			trans	73.3	7	-171.9	0	0	0	0	0	114.1	D319	D319-G323 VanDerWaalsContact O-CA 3.31Å; D319-G323 WeakPolarHBondContact O-CA 3.49Å; D319-G323 PolarHBondContact O-N 2.99Å
324	R	90.5	Very high	92.3	Very high	146 Å²	146	54.3 Å²	54.3	55%	0.551	26%	0.259	S	S	*	.			trans	-92.5	146.7	-177.4	-67.2	-177.8	172.2	162.2	1.5	111.3	Y92 D319 T322 I326	Y92-R324 PolarHBondContact OH-NE 3.22Å; D319-R324 PolarHBondContact N-O 2.99Å; T322-R324 PolarHBondContact O-N 2.85Å; T322-R324 PolarHBondContact OG1-N 3.25Å; R324-I326 PolarHBondContact O-N 3.19Å
325	C	91.6	Very high	92.3	Very high	53 Å²	53	52.3 Å²	52.3	36%	0.358	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.3	166.2	-178.5	0	0	0	0	109.1	V317 W318	V317-C325 CarbonylContact O-C 3.58Å; V317-C325 WeakPolarHBondContact O-CA 3.5Å; W318-C325 HydrophobicContact CD2-CB 4.42Å; W318-C325 HydrophobicContact CE3-CB 3.8Å; W318-C325 HydrophobicContact CH2-CB 4.27Å; W318-C325 HydrophobicContact CZ3-CB 3.72Å
326	I	91.3	Very high	92.4	Very high	56 Å²	56	52.3 Å²	52.3	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-42.6	179	-61.3	162.5	0	0	0	110.9	V305 V317 D319 R324	V305-I326 HydrophobicContact CG1-CD1 4.49Å; V305-I326 HydrophobicContact CG2-CD1 3.94Å; V317-I326 HydrophobicContact CG1-CB 4.39Å; V317-I326 HydrophobicContact CG1-CD1 4.47Å; V317-I326 PolarHBondContact O-N 3.13Å; D319-I326 HydrophobicContact CB-CD1 3.6Å; D319-I326 HydrophobicContact CB-CG1 3.84Å; R324-I326 PolarHBondContact O-N 3.19Å
327	M	91.7	Very high	92.4	Very high	12 Å²	12	51 Å²	51	6%	0.059	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	133.3	-169	-175.5	-178.4	179.1	0	0	110.5	V317 L329 M348 W360 R365	V317-M327 HydrophobicContact CB-CB 3.91Å; V317-M327 HydrophobicContact CG2-CB 3.93Å; V317-M327 PolarHBondContact N-O 3.01Å; M327-L329 HydrophobicContact CE-CD2 3.47Å; M327-L329 VanDerWaalsContact CE-CD2 3.47Å; M327-L329 HydrophobicContact CG-CD2 3.84Å; M327-L329 HydrophobicContact SD-CD2 3.66Å; M327-M348 HydrophobicContact SD-CE 4.05Å; M327-W360 HydrophobicContact CE-CE3 3.78Å; M327-W360 HydrophobicContact CE-CZ3 4.4Å; M327-R365 HydrophobicContact CE-CB 4.29Å; M327-R365 HydrophobicContact SD-CB 4.25Å; M327-R365 HydrophobicContact SD-CG 4.43Å
328	F	92.1	Very high	92.4	Very high	87 Å²	87	51 Å²	51	38%	0.382	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124	172.6	-170.4	-105.8	0	0	0	108.8	Y314 R316 E330	Y314-F328 HydrophobicContact CD1-CD1 4.35Å; Y314-F328 AromaticContact CD1-CE1 3.28Å; Y314-F328 HydrophobicContact CD1-CE1 3.28Å; Y314-F328 HydrophobicContact CD1-CE2 4.02Å; Y314-F328 AromaticContact CD1-CZ 3.08Å; Y314-F328 HydrophobicContact CD1-CZ 3.08Å; Y314-F328 HydrophobicContact CD2-CE2 4.38Å; Y314-F328 AromaticContact CD2-CZ 3.77Å; Y314-F328 HydrophobicContact CD2-CZ 3.77Å; Y314-F328 AromaticContact CE1-CE1 3.49Å; Y314-F328 HydrophobicContact CE1-CE1 3.49Å; Y314-F328 VanDerWaalsContact CE1-CE1 3.49Å; Y314-F328 AromaticContact CE1-CZ 3.5Å; Y314-F328 HydrophobicContact CE1-CZ 3.5Å; Y314-F328 VanDerWaalsContact CE1-CZ 3.5Å; Y314-F328 HydrophobicContact CE2-CZ 4.14Å; Y314-F328 AromaticContact CG-CE1 3.95Å; Y314-F328 HydrophobicContact CG-CE1 3.95Å; Y314-F328 AromaticContact CG-CE2 3.81Å; Y314-F328 HydrophobicContact CG-CE2 3.81Å; Y314-F328 AromaticContact CG-CZ 3.22Å; Y314-F328 HydrophobicContact CG-CZ 3.22Å; R316-F328 HydrophobicContact CG-CD2 4.06Å; R316-F328 HydrophobicContact CG-CE2 4.38Å; F328-E330 HydrophobicContact CD1-CB 4.02Å; F328-E330 HydrophobicContact CE1-CB 4.01Å; F328-E330 PolarHBondContact O-N 2.88Å
329	L	91.7	Very high	92.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	89.7	-179	-51	-173	0	0	0	109.1	L307 G315 V317 M327 M348 W360	L307-L329 HydrophobicContact CD1-CD1 3.47Å; L307-L329 VanDerWaalsContact CD1-CD1 3.47Å; L307-L329 HydrophobicContact CD1-CG 4.33Å; G315-L329 PolarHBondContact N-O 3.15Å; G315-L329 WeakPolarHBondContact O-CB 3.31Å; G315-L329 PolarHBondContact O-N 2.88Å; V317-L329 HydrophobicContact CG2-CD2 4.27Å; V317-L329 HydrophobicContact CG2-CG 4.41Å; M327-L329 HydrophobicContact CE-CD2 3.47Å; M327-L329 VanDerWaalsContact CE-CD2 3.47Å; M327-L329 HydrophobicContact CG-CD2 3.84Å; M327-L329 HydrophobicContact SD-CD2 3.66Å; L329-M348 HydrophobicContact CD2-CE 4.16Å; L329-W360 HydrophobicContact CB-CD2 4.26Å; L329-W360 HydrophobicContact CB-CH2 4.17Å; L329-W360 HydrophobicContact CB-CZ2 3.9Å; L329-W360 HydrophobicContact CB-CZ3 4.45Å; L329-W360 HydrophobicContact CD1-CD2 4.24Å; L329-W360 HydrophobicContact CD1-CG 4.05Å; L329-W360 HydrophobicContact CD2-CB 4.26Å; L329-W360 HydrophobicContact CD2-CD2 3.68Å; L329-W360 HydrophobicContact CD2-CE3 3.74Å; L329-W360 HydrophobicContact CD2-CG 3.9Å; L329-W360 HydrophobicContact CD2-CZ3 4.31Å; L329-W360 HydrophobicContact CG-CD2 4.29Å
330	E	90.4	Very high	92.4	Very high	135 Å²	135	51.6 Å²	51.6	63%	0.631	26%	0.256	S	S	*	.			trans	-94.7	119.6	175	179.4	175.4	-172.2	0	0	111.2	Y314 F328 W360	Y314-E330 HydrophobicContact CD1-CB 4.48Å; Y314-E330 HydrophobicContact CE1-CB 4.38Å; Y314-E330 HydrophobicContact CE1-CG 4.09Å; F328-E330 HydrophobicContact CD1-CB 4.02Å; F328-E330 HydrophobicContact CE1-CB 4.01Å; F328-E330 PolarHBondContact O-N 2.88Å; E330-W360 VanDerWaalsContact O-CH2 3.31Å; E330-W360 WeakPolarHBondContact O-CH2 3.21Å
331	G	88.8	Confident	92.5	Very high	27 Å²	27	51.8 Å²	51.8	28%	0.278	26%	0.256	S	S	.	.			trans	171.9	-18.8	167.8	0	0	0	0	0	115.5	K358	G331-K358 VanDerWaalsContact C-CE 3.47Å; G331-K358 VanDerWaalsContact CA-NZ 3.31Å; G331-K358 WeakPolarHBondContact O-CE 3.44Å; G331-K358 PolarHBondContact O-NZ 3.12Å
332	H	93.7	Very high	92.5	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.056	24%	0.24	C	C	.	.			trans	-77.4	139.8	174.4	-73.8	-67.5	0	0	0	110.7	C313 I336 S350 S352 D354	C313-H332 WeakPolarHBondContact CB-O 3.37Å; H332-I336 HydrophobicContact CB-CG1 4.19Å; H332-S350 PolarHBondContact CD2-OG 3.48Å; H332-S350 WeakPolarHBondContact NE2-CB 3.39Å; H332-S350 PolarHBondContact NE2-O 2.93Å; H332-S350 PolarHBondContact NE2-OG 2.94Å; H332-S352 WeakPolarHBondContact ND1-CB 3.41Å; H332-D354 IonicContact CG-OD2 3.29Å; H332-D354 IonicContact ND1-OD1 3.51Å; H332-D354 IonicContact ND1-OD2 2.94Å; H332-D354 PolarHBondContact ND1-OD2 2.66Å
333	Q	93.1	Very high	92.4	Very high	178 Å²	178	46 Å²	46	83%	0.832	23%	0.231	S	C	*	.	S	Bend	trans	-90.6	-17.8	176.8	-66.7	-178.1	-12.6	0	0	112.2	D354	Q333-D354 PolarHBondContact N-OD2 3.12Å
334	K	95.4	Very high	92.3	Very high	105 Å²	105	47 Å²	47	46%	0.457	24%	0.236	S	C	.	.	S	Bend	trans	-125.5	163.5	-177.1	-79.9	-174.2	-175.2	174.9	0	110.3	C313 S352 A353 D354	C313-K334 VanDerWaalsContact SG-CA 3.53Å; K334-S352 VanDerWaalsContact C-OG 3.26Å; K334-S352 PolarHBondContact O-OG 3.1Å; K334-A353 HydrophobicContact CB-CB 4.09Å; K334-A353 VanDerWaalsContact CD-C 3.45Å; K334-A353 HydrophobicContact CD-CB 4.27Å; K334-A353 WeakPolarHBondContact CD-O 3.23Å; K334-A353 PolarHBondContact NZ-O 2.97Å; K334-D354 HydrophobicContact CB-CB 3.99Å; K334-D354 HydrophobicContact CD-CB 4.21Å; K334-D354 HydrophobicContact CG-CB 4.31Å
335	P	95.4	Very high	92	Very high	39 Å²	39	40.2 Å²	40.2	25%	0.253	21%	0.211	S	C	.	.			trans	-54.2	140.8	-176.4	21.6	-36.7	0	0	0	112.4	L311 S352 A353	L311-P335 HydrophobicContact CB-CB 4.22Å; L311-P335 HydrophobicContact CD2-CB 3.57Å; L311-P335 HydrophobicContact CD2-CG 4.47Å; P335-S352 WeakPolarHBondContact O-CA 3.3Å; P335-S352 PolarHBondContact O-OG 3.1Å; P335-S352 VanDerWaalsContact O-OG 3.07Å; P335-A353 HydrophobicContact CG-CB 4.07Å; P335-A353 PolarHBondContact O-N 2.89Å
336	I	96.4	Very high	91.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120	175.2	-58.4	179.2	0	0	0	107.4	G310 Y314 G315 H332 T338 V339	G310-I336 PolarHBondContact O-N 3.25Å; G310-I336 VanDerWaalsContact O-N 3.1Å; Y314-I336 VanDerWaalsContact C-CD1 3.43Å; G315-I336 VanDerWaalsContact N-CD1 3.34Å; H332-I336 HydrophobicContact CB-CG1 4.19Å; I336-T338 WeakPolarHBondContact CG2-O 3.31Å; I336-V339 HydrophobicContact CG2-CG2 3.57Å
337	L	95.1	Very high	91.9	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-16.8	-177.2	-63.7	178.8	0	0	0	112.7	Y295 L311 G351 A353 L377	Y295-L337 HydrophobicContact CD1-CB 4.3Å; Y295-L337 HydrophobicContact CD1-CD2 4.24Å; Y295-L337 WeakPolarHBondContact CD1-O 3.4Å; Y295-L337 HydrophobicContact CD2-CD2 4.35Å; Y295-L337 HydrophobicContact CE1-CB 4.17Å; Y295-L337 HydrophobicContact CE1-CD2 4.19Å; Y295-L337 WeakPolarHBondContact CE1-O 3.4Å; Y295-L337 HydrophobicContact CE2-CD2 4.32Å; Y295-L337 HydrophobicContact CG-CD2 4.29Å; L311-L337 HydrophobicContact CD2-CD2 4.37Å; L337-G351 PolarHBondContact N-O 3.27Å; L337-A353 HydrophobicContact CD1-CB 4.06Å; L337-A353 HydrophobicContact CG-CB 4.5Å; L337-L377 HydrophobicContact CD1-CB 4.12Å; L337-L377 HydrophobicContact CD1-CD1 3.67Å; L337-L377 HydrophobicContact CD1-CD2 4.12Å; L337-L377 HydrophobicContact CD1-CG 4.2Å
338	T	95.5	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.1	-177.6	171.3	0	0	0	0	110.7	D296 I336 S350 G351 V378 I381	D296-T338 VanDerWaalsContact OD2-CA 3.27Å; D296-T338 WeakPolarHBondContact OD2-CA 3.26Å; I336-T338 WeakPolarHBondContact CG2-O 3.31Å; T338-S350 CarbonylContact O-C 3.58Å; T338-S350 WeakPolarHBondContact O-CA 3.48Å; T338-G351 PolarHBondContact N-O 3.45Å; T338-G351 PolarHBondContact O-N 3.35Å; T338-V378 HydrophobicContact CG2-CB 4.48Å; T338-V378 HydrophobicContact CG2-CG1 3.98Å; T338-I381 HydrophobicContact CG2-CD1 3.85Å; T338-I381 HydrophobicContact CG2-CG1 3.69Å; T338-I381 PolarHBondContact OG1-N 2.86Å
339	V	95.3	Very high	92.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	134.4	-173.2	168.5	0	0	0	0	108.4	D296 L307 I336 V349	D296-V339 HydrophobicContact CB-CB 4.18Å; D296-V339 HydrophobicContact CB-CG2 4.42Å; D296-V339 PolarHBondContact OD2-N 2.84Å; L307-V339 HydrophobicContact CB-CG1 3.77Å; L307-V339 HydrophobicContact CD1-CG1 4.43Å; L307-V339 HydrophobicContact CD2-CG1 3.17Å; L307-V339 HydrophobicContact CG-CG1 3.17Å; I336-V339 HydrophobicContact CG2-CG2 3.57Å; V339-V349 WeakPolarHBondContact CA-O 3.41Å
340	E	94.9	Very high	92.3	Very high	31 Å²	31	34.4 Å²	34.4	15%	0.145	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	146.6	178.1	-155.6	-179.7	-172.3	0	0	112.5	M348 V349 C382 F383	E340-M348 CarbonylContact O-C 3.49Å; E340-M348 WeakPolarHBondContact O-CA 3.48Å; E340-V349 PolarHBondContact N-O 2.96Å; E340-V349 PolarHBondContact O-N 3.29Å; E340-C382 VanDerWaalsContact CD-CA 3.5Å; E340-C382 WeakPolarHBondContact OE1-CA 3.31Å; E340-C382 WeakPolarHBondContact OE2-CA 3.37Å; E340-C382 PolarHBondContact OE2-N 2.65Å; E340-C382 VanDerWaalsContact OE2-N 3.11Å; E340-F383 HydrophobicContact CB-CD2 4.3Å; E340-F383 HydrophobicContact CB-CE2 4.49Å; E340-F383 HydrophobicContact CG-CD2 4.12Å; E340-F383 PolarHBondContact OE1-N 3.06Å; E340-F383 VanDerWaalsContact OE2-CD2 3.27Å; E340-F383 WeakPolarHBondContact OE2-CD2 3.43Å; E340-F383 PolarHBondContact OE2-N 3.35Å; E340-F383 VanDerWaalsContact OE2-N 3.11Å
341	F	93.2	Very high	92.5	Very high	9 Å²	9	28 Å²	28	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.4	167.6	-83	-84.7	0	0	0	111.2	S298 F299 Q300 V305 L307 M348 L362	S298-F341 WeakPolarHBondContact O-CE2 3.45Å; S298-F341 PolarHBondContact OG-N 2.92Å; F299-F341 WeakPolarHBondContact O-CD2 3.17Å; Q300-F341 HydrophobicContact CB-CD1 4.07Å; Q300-F341 HydrophobicContact CB-CD2 4.3Å; Q300-F341 HydrophobicContact CB-CE1 3.97Å; Q300-F341 HydrophobicContact CB-CE2 4.2Å; Q300-F341 HydrophobicContact CB-CG 4.23Å; Q300-F341 HydrophobicContact CB-CZ 4.06Å; Q300-F341 HydrophobicContact CG-CD1 4.15Å; Q300-F341 HydrophobicContact CG-CE1 4.21Å; V305-F341 HydrophobicContact CB-CZ 4.41Å; V305-F341 HydrophobicContact CG1-CZ 3.97Å; L307-F341 HydrophobicContact CB-CD2 4.11Å; L307-F341 HydrophobicContact CB-CE2 3.28Å; L307-F341 HydrophobicContact CB-CZ 3.67Å; L307-F341 HydrophobicContact CD2-CE2 4.37Å; L307-F341 HydrophobicContact CG-CE2 4.47Å; F341-M348 HydrophobicContact CD1-CG 3.49Å; F341-M348 VanDerWaalsContact CD1-CG 3.49Å; F341-M348 HydrophobicContact CD1-SD 4.25Å; F341-M348 HydrophobicContact CE1-CG 3.32Å; F341-M348 HydrophobicContact CE1-SD 3.45Å; F341-M348 WeakPolarHBondContact CE1-SD 3.44Å; F341-M348 HydrophobicContact CG-CG 4.29Å; F341-M348 HydrophobicContact CZ-CG 4.01Å; F341-M348 HydrophobicContact CZ-SD 3.7Å; F341-L362 HydrophobicContact CD1-CD1 4.44Å; F341-L362 HydrophobicContact CE1-CD1 3.54Å; F341-L362 HydrophobicContact CZ-CD1 4.36Å
342	T	90.8	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.			trans	-72.1	151.4	165	64.4	0	0	0	0	110.1	S344 G345 Q347 F383	T342-S344 PolarHBondContact O-N 3.2Å; T342-S344 VanDerWaalsContact O-N 3.14Å; T342-S344 PolarHBondContact OG1-OG 2.9Å; T342-G345 WeakPolarHBondContact O-CA 3.37Å; T342-G345 PolarHBondContact O-N 3.38Å; T342-Q347 HydrophobicContact CG2-CB 3.39Å; T342-Q347 PolarHBondContact N-O 3.11Å; T342-Q347 WeakPolarHBondContact OG1-CB 3.3Å; T342-Q347 PolarHBondContact OG1-N 2.98Å; T342-Q347 PolarHBondContact OG1-O 2.8Å; T342-Q347 VanDerWaalsContact OG1-O 3.07Å; T342-F383 HydrophobicContact CG2-CD1 4.24Å; T342-F383 HydrophobicContact CG2-CD2 4.34Å; T342-F383 HydrophobicContact CG2-CE1 3.8Å; T342-F383 HydrophobicContact CG2-CE2 3.97Å; T342-F383 HydrophobicContact CG2-CG 4.48Å; T342-F383 HydrophobicContact CG2-CZ 3.66Å
343	P	87	Confident	92.9	Very high	35 Å²	35	26.8 Å²	26.8	23%	0.227	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.8	175.3	-20.7	27.9	0	0	0	113.4	G345 F383 D384	P343-G345 PolarHBondContact O-N 3.17Å; P343-F383 HydrophobicContact CG-CB 4.33Å; P343-D384 WeakPolarHBondContact CG-O 3.43Å
344	S	84.1	Confident	93	Very high	39 Å²	39	20.1 Å²	20.1	27%	0.273	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.9	174.3	65.4	0	0	0	0	113.7	R117 T342 Y346	R117-S344 WeakPolarHBondContact CD-O 3.42Å; R117-S344 PolarHBondContact NH1-O 2.85Å; T342-S344 PolarHBondContact O-N 3.2Å; T342-S344 VanDerWaalsContact O-N 3.14Å; T342-S344 PolarHBondContact OG1-OG 2.9Å; S344-Y346 VanDerWaalsContact CB-CE1 3.41Å; S344-Y346 PolarHBondContact O-N 2.94Å; S344-Y346 VanDerWaalsContact O-N 3.14Å; S344-Y346 WeakPolarHBondContact OG-CD1 3.38Å; S344-Y346 WeakPolarHBondContact OG-CE1 3.46Å
345	G	84.4	Confident	92.9	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.031	10%	0.096	C	C	.	.	S	Bend	trans	70.1	3.2	172.2	0	0	0	0	0	116	T342 P343	T342-G345 WeakPolarHBondContact O-CA 3.37Å; T342-G345 PolarHBondContact O-N 3.38Å; P343-G345 PolarHBondContact O-N 3.17Å
346	Y	88.5	Confident	92.9	Very high	67 Å²	67	16.4 Å²	16.4	26%	0.263	9%	0.09	S	C	.	.	S	Bend	trans	-109.5	-18.3	175.4	71.5	-91.8	0	0	0	113.1	S344 L362	S344-Y346 VanDerWaalsContact CB-CE1 3.41Å; S344-Y346 PolarHBondContact O-N 2.94Å; S344-Y346 VanDerWaalsContact O-N 3.14Å; S344-Y346 WeakPolarHBondContact OG-CD1 3.38Å; S344-Y346 WeakPolarHBondContact OG-CE1 3.46Å; Y346-L362 WeakPolarHBondContact O-CB 3.38Å; Y346-L362 PolarHBondContact O-N 2.84Å
347	Q	91.4	Very high	92.8	Very high	19 Å²	19	16.4 Å²	16.4	9%	0.089	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.2	174	-81.8	165.4	-2.7	0	0	110.3	T342 W360 N405	T342-Q347 HydrophobicContact CG2-CB 3.39Å; T342-Q347 PolarHBondContact N-O 3.11Å; T342-Q347 WeakPolarHBondContact OG1-CB 3.3Å; T342-Q347 PolarHBondContact OG1-N 2.98Å; T342-Q347 PolarHBondContact OG1-O 2.8Å; T342-Q347 VanDerWaalsContact OG1-O 3.07Å; Q347-W360 CarbonylContact C-O 3.52Å; Q347-W360 VanDerWaalsContact CA-O 3.26Å; Q347-W360 WeakPolarHBondContact CA-O 3.49Å; Q347-N405 PolarHBondContact OE1-OD1 3.18Å
348	M	94	Very high	92.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.6	176.4	-61.3	172.1	-57.9	0	0	108.9	L307 V317 M327 L329 E340 F341 W360 L362	L307-M348 HydrophobicContact CD1-SD 3.97Å; L307-M348 HydrophobicContact CD2-CB 3.66Å; L307-M348 HydrophobicContact CD2-CG 3.87Å; L307-M348 HydrophobicContact CD2-SD 3.8Å; L307-M348 HydrophobicContact CG-SD 4.32Å; V317-M348 HydrophobicContact CG2-CE 3.78Å; V317-M348 HydrophobicContact CG2-SD 3.72Å; M327-M348 HydrophobicContact SD-CE 4.05Å; L329-M348 HydrophobicContact CD2-CE 4.16Å; E340-M348 CarbonylContact O-C 3.49Å; E340-M348 WeakPolarHBondContact O-CA 3.48Å; F341-M348 HydrophobicContact CD1-CG 3.49Å; F341-M348 VanDerWaalsContact CD1-CG 3.49Å; F341-M348 HydrophobicContact CD1-SD 4.25Å; F341-M348 HydrophobicContact CE1-CG 3.32Å; F341-M348 HydrophobicContact CE1-SD 3.45Å; F341-M348 WeakPolarHBondContact CE1-SD 3.44Å; F341-M348 HydrophobicContact CG-CG 4.29Å; F341-M348 HydrophobicContact CZ-CG 4.01Å; F341-M348 HydrophobicContact CZ-SD 3.7Å; M348-W360 HydrophobicContact CB-CB 4.21Å; M348-W360 HydrophobicContact CE-CB 3.84Å; M348-W360 PolarHBondContact N-O 2.91Å; M348-W360 PolarHBondContact O-N 3.38Å; M348-L362 HydrophobicContact CE-CB 4.45Å; M348-L362 HydrophobicContact CE-CD1 4.03Å; M348-L362 HydrophobicContact CE-CG 3.66Å; M348-L362 HydrophobicContact CG-CD1 4.03Å; M348-L362 HydrophobicContact SD-CD1 3.5Å; M348-L362 VanDerWaalsContact SD-CD1 3.5Å; M348-L362 HydrophobicContact SD-CG 3.82Å
349	V	94.6	Very high	92.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.9	175.9	-165.1	0	0	0	0	110.5	V339 E340 C357 K358 M359 I381 F383 M391	V339-V349 WeakPolarHBondContact CA-O 3.41Å; E340-V349 PolarHBondContact N-O 2.96Å; E340-V349 PolarHBondContact O-N 3.29Å; V349-C357 HydrophobicContact CG1-CB 4.07Å; V349-K358 WeakPolarHBondContact CA-O 3.04Å; V349-M359 HydrophobicContact CB-CE 4.39Å; V349-M359 HydrophobicContact CB-SD 4.13Å; V349-M359 HydrophobicContact CG1-SD 3.74Å; V349-M359 HydrophobicContact CG2-CE 3.12Å; V349-M359 HydrophobicContact CG2-SD 3.28Å; V349-M359 WeakPolarHBondContact CG2-SD 2.99Å; V349-I381 HydrophobicContact CB-CD1 4.25Å; V349-I381 HydrophobicContact CB-CG2 4.5Å; V349-I381 HydrophobicContact CG1-CD1 3.51Å; V349-I381 HydrophobicContact CG1-CG2 4.43Å; V349-F383 HydrophobicContact CB-CE2 4.09Å; V349-F383 HydrophobicContact CB-CZ 4.4Å; V349-F383 HydrophobicContact CG2-CE2 3.36Å; V349-F383 HydrophobicContact CG2-CZ 3.31Å; V349-M391 HydrophobicContact CG1-SD 4.22Å; V349-M391 HydrophobicContact CG2-SD 4.21Å
350	S	95.7	Very high	92.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.5	167.3	55.4	0	0	0	0	109.3	H332 T338 C357 K358 W360	H332-S350 PolarHBondContact CD2-OG 3.48Å; H332-S350 WeakPolarHBondContact NE2-CB 3.39Å; H332-S350 PolarHBondContact NE2-O 2.93Å; H332-S350 PolarHBondContact NE2-OG 2.94Å; T338-S350 CarbonylContact O-C 3.58Å; T338-S350 WeakPolarHBondContact O-CA 3.48Å; S350-C357 CarbonylContact O-C 3.54Å; S350-C357 VanDerWaalsContact O-CA 3.23Å; S350-C357 WeakPolarHBondContact O-CA 3.45Å; S350-K358 PolarHBondContact N-O 3.28Å; S350-K358 PolarHBondContact O-N 3.03Å; S350-W360 PolarHBondContact OG-NE1 2.97Å
351	G	95.4	Very high	92.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.3	170.9	0	0	0	0	0	110.2	L337 T338	L337-G351 PolarHBondContact N-O 3.27Å; T338-G351 PolarHBondContact N-O 3.45Å; T338-G351 PolarHBondContact O-N 3.35Å
352	S	95.6	Very high	92.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	166.5	-174.3	169.4	0	0	0	0	112.1	H332 K334 P335 D354 N355 S356 V378	H332-S352 WeakPolarHBondContact ND1-CB 3.41Å; K334-S352 VanDerWaalsContact C-OG 3.26Å; K334-S352 PolarHBondContact O-OG 3.1Å; P335-S352 WeakPolarHBondContact O-CA 3.3Å; P335-S352 PolarHBondContact O-OG 3.1Å; P335-S352 VanDerWaalsContact O-OG 3.07Å; S352-D354 VanDerWaalsContact CB-OD1 3.25Å; S352-D354 WeakPolarHBondContact CB-OD1 3.32Å; S352-D354 PolarHBondContact O-N 2.83Å; S352-D354 VanDerWaalsContact OG-CG 3.32Å; S352-D354 PolarHBondContact OG-N 2.97Å; S352-D354 PolarHBondContact OG-OD1 2.81Å; S352-D354 PolarHBondContact OG-OD2 2.85Å; S352-N355 PolarHBondContact O-N 3.42Å; S352-S356 PolarHBondContact N-O 3.21Å; S352-S356 VanDerWaalsContact N-O 3.14Å; S352-V378 PolarHBondContact O-N 2.61Å
353	A	95.3	Very high	92.6	Very high	15 Å²	15	24.4 Å²	24.4	12%	0.124	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	0.3	167.9	0	0	0	0	0	114.3	K334 P335 L337 N355 L377	K334-A353 HydrophobicContact CB-CB 4.09Å; K334-A353 VanDerWaalsContact CD-C 3.45Å; K334-A353 HydrophobicContact CD-CB 4.27Å; K334-A353 WeakPolarHBondContact CD-O 3.23Å; K334-A353 PolarHBondContact NZ-O 2.97Å; P335-A353 HydrophobicContact CG-CB 4.07Å; P335-A353 PolarHBondContact O-N 2.89Å; L337-A353 HydrophobicContact CD1-CB 4.06Å; L337-A353 HydrophobicContact CG-CB 4.5Å; A353-N355 PolarHBondContact O-N 3.28Å; A353-N355 PolarHBondContact O-OD1 3.38Å; A353-L377 HydrophobicContact CB-CB 3.95Å
354	D	94.1	Very high	92.7	Very high	37 Å²	37	27.9 Å²	27.9	20%	0.198	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6.5	166.6	63.4	18.9	0	0	0	113.5	H332 Q333 K334 S352 S356	H332-D354 IonicContact CG-OD2 3.29Å; H332-D354 IonicContact ND1-OD1 3.51Å; H332-D354 IonicContact ND1-OD2 2.94Å; H332-D354 PolarHBondContact ND1-OD2 2.66Å; Q333-D354 PolarHBondContact N-OD2 3.12Å; K334-D354 HydrophobicContact CB-CB 3.99Å; K334-D354 HydrophobicContact CD-CB 4.21Å; K334-D354 HydrophobicContact CG-CB 4.31Å; S352-D354 VanDerWaalsContact CB-OD1 3.25Å; S352-D354 WeakPolarHBondContact CB-OD1 3.32Å; S352-D354 PolarHBondContact O-N 2.83Å; S352-D354 VanDerWaalsContact OG-CG 3.32Å; S352-D354 PolarHBondContact OG-N 2.97Å; S352-D354 PolarHBondContact OG-OD1 2.81Å; S352-D354 PolarHBondContact OG-OD2 2.85Å; D354-S356 PolarHBondContact O-N 3.43Å; D354-S356 WeakPolarHBondContact OD1-CA 3.49Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.49Å; D354-S356 PolarHBondContact OD1-N 3.4Å; D354-S356 PolarHBondContact OD1-OG 2.91Å; D354-S356 PolarHBondContact OD2-OG 2.98Å
355	N	94.7	Very high	93	Very high	46 Å²	46	33.9 Å²	33.9	25%	0.246	15%	0.152	C	C	.	.	S	Bend	trans	68.2	3.7	-179.1	-42.7	-16.3	0	0	0	113.9	S352 A353 A373 H374 Q375 S376 L377	S352-N355 PolarHBondContact O-N 3.42Å; A353-N355 PolarHBondContact O-N 3.28Å; A353-N355 PolarHBondContact O-OD1 3.38Å; N355-A373 PolarHBondContact O-N 3.04Å; N355-H374 WeakPolarHBondContact CB-O 3.47Å; N355-H374 PolarHBondContact O-N 3.07Å; N355-Q375 VanDerWaalsContact ND2-C 3.34Å; N355-Q375 PolarHBondContact ND2-O 3.3Å; N355-S376 WeakPolarHBondContact CB-O 3.28Å; N355-S376 VanDerWaalsContact CG-C 3.43Å; N355-S376 WeakPolarHBondContact OD1-CA 3.48Å; N355-S376 PolarHBondContact OD1-O 2.88Å; N355-L377 PolarHBondContact OD1-N 3.3Å
356	S	95.1	Very high	93.3	Very high	20 Å²	20	40.8 Å²	40.8	14%	0.14	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148.3	177.4	79.6	0	0	0	0	111.3	S352 D354 L371	S352-S356 PolarHBondContact N-O 3.21Å; S352-S356 VanDerWaalsContact N-O 3.14Å; D354-S356 PolarHBondContact O-N 3.43Å; D354-S356 WeakPolarHBondContact OD1-CA 3.49Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.49Å; D354-S356 PolarHBondContact OD1-N 3.4Å; D354-S356 PolarHBondContact OD1-OG 2.91Å; D354-S356 PolarHBondContact OD2-OG 2.98Å; S356-L371 CarbonylContact C-O 3.49Å; S356-L371 VanDerWaalsContact CA-O 3.32Å; S356-L371 WeakPolarHBondContact CA-O 3.48Å
357	C	95	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.9	163.3	-61.6	0	0	0	0	108.2	V349 S350 L371 A373 I381	V349-C357 HydrophobicContact CG1-CB 4.07Å; S350-C357 CarbonylContact O-C 3.54Å; S350-C357 VanDerWaalsContact O-CA 3.23Å; S350-C357 WeakPolarHBondContact O-CA 3.45Å; C357-L371 HydrophobicContact CB-CB 4.18Å; C357-L371 HydrophobicContact CB-CD2 4.35Å; C357-L371 PolarHBondContact N-O 3.46Å; C357-L371 WeakPolarHBondContact O-CA 3.19Å; C357-L371 WeakPolarHBondContact O-CB 3.43Å; C357-L371 PolarHBondContact O-N 3.39Å; C357-A373 HydrophobicContact CB-CB 4.42Å; C357-I381 HydrophobicContact CB-CD1 4.29Å
358	K	95	Very high	93.5	Very high	32 Å²	32	42 Å²	42	14%	0.139	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.9	174.6	-66.2	-166.5	-178.7	-148.2	0	110.3	G331 V349 S350 W360 T370	G331-K358 VanDerWaalsContact C-CE 3.47Å; G331-K358 VanDerWaalsContact CA-NZ 3.31Å; G331-K358 WeakPolarHBondContact O-CE 3.44Å; G331-K358 PolarHBondContact O-NZ 3.12Å; V349-K358 WeakPolarHBondContact CA-O 3.04Å; S350-K358 PolarHBondContact N-O 3.28Å; S350-K358 PolarHBondContact O-N 3.03Å; K358-W360 HydrophobicContact CB-CZ2 3.99Å; K358-W360 HydrophobicContact CD-CZ2 3.89Å; K358-W360 VanDerWaalsContact O-CD1 3.31Å; K358-W360 PolarHBondContact O-NE1 3.22Å; K358-T370 HydrophobicContact CD-CG2 4.03Å; K358-T370 HydrophobicContact CG-CG2 3.96Å
359	M	94.3	Very high	93.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.7	177.3	-58.9	-56.8	-44.8	0	0	108.9	V349 C367 V368 Y369 F383 W408	V349-M359 HydrophobicContact CB-CE 4.39Å; V349-M359 HydrophobicContact CB-SD 4.13Å; V349-M359 HydrophobicContact CG1-SD 3.74Å; V349-M359 HydrophobicContact CG2-CE 3.12Å; V349-M359 HydrophobicContact CG2-SD 3.28Å; V349-M359 WeakPolarHBondContact CG2-SD 2.99Å; M359-C367 CarbonylContact O-C 3.59Å; M359-C367 WeakPolarHBondContact O-CA 3.49Å; M359-V368 PolarHBondContact O-N 3.27Å; M359-Y369 WeakPolarHBondContact CB-O 3.46Å; M359-Y369 PolarHBondContact N-O 2.77Å; M359-Y369 PolarHBondContact O-N 2.91Å; M359-F383 HydrophobicContact CE-CZ 4.44Å; M359-W408 HydrophobicContact CE-CD2 4.39Å; M359-W408 HydrophobicContact CE-CE3 4.36Å; M359-W408 HydrophobicContact CE-CH2 3.07Å; M359-W408 HydrophobicContact CE-CZ2 3.08Å; M359-W408 HydrophobicContact CE-CZ3 3.74Å; M359-W408 HydrophobicContact CG-CD2 3.94Å; M359-W408 HydrophobicContact CG-CE3 4.41Å; M359-W408 HydrophobicContact CG-CG 4.39Å; M359-W408 HydrophobicContact CG-CZ2 4.09Å; M359-W408 HydrophobicContact SD-CD2 3.97Å; M359-W408 HydrophobicContact SD-CE3 3.85Å; M359-W408 HydrophobicContact SD-CH2 3.66Å; M359-W408 HydrophobicContact SD-CZ2 3.78Å; M359-W408 HydrophobicContact SD-CZ3 3.67Å
360	W	94.2	Very high	93.5	Very high	9 Å²	9	50.7 Å²	50.7	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.9	-178.9	-55.1	92.1	0	0	0	109.9	M327 L329 E330 Q347 M348 S350 K358 C367	M327-W360 HydrophobicContact CE-CE3 3.78Å; M327-W360 HydrophobicContact CE-CZ3 4.4Å; L329-W360 HydrophobicContact CB-CD2 4.26Å; L329-W360 HydrophobicContact CB-CH2 4.17Å; L329-W360 HydrophobicContact CB-CZ2 3.9Å; L329-W360 HydrophobicContact CB-CZ3 4.45Å; L329-W360 HydrophobicContact CD1-CD2 4.24Å; L329-W360 HydrophobicContact CD1-CG 4.05Å; L329-W360 HydrophobicContact CD2-CB 4.26Å; L329-W360 HydrophobicContact CD2-CD2 3.68Å; L329-W360 HydrophobicContact CD2-CE3 3.74Å; L329-W360 HydrophobicContact CD2-CG 3.9Å; L329-W360 HydrophobicContact CD2-CZ3 4.31Å; L329-W360 HydrophobicContact CG-CD2 4.29Å; E330-W360 VanDerWaalsContact O-CH2 3.31Å; E330-W360 WeakPolarHBondContact O-CH2 3.21Å; Q347-W360 CarbonylContact C-O 3.52Å; Q347-W360 VanDerWaalsContact CA-O 3.26Å; Q347-W360 WeakPolarHBondContact CA-O 3.49Å; M348-W360 HydrophobicContact CB-CB 4.21Å; M348-W360 HydrophobicContact CE-CB 3.84Å; M348-W360 PolarHBondContact N-O 2.91Å; M348-W360 PolarHBondContact O-N 3.38Å; S350-W360 PolarHBondContact OG-NE1 2.97Å; K358-W360 HydrophobicContact CB-CZ2 3.99Å; K358-W360 HydrophobicContact CD-CZ2 3.89Å; K358-W360 VanDerWaalsContact O-CD1 3.31Å; K358-W360 PolarHBondContact O-NE1 3.22Å; W360-C367 HydrophobicContact CD2-CB 4.32Å; W360-C367 HydrophobicContact CE3-CB 3.74Å; W360-C367 HydrophobicContact CH2-CB 3.84Å; W360-C367 HydrophobicContact CZ2-CB 4.42Å; W360-C367 HydrophobicContact CZ3-CB 3.49Å; W360-C367 VanDerWaalsContact CZ3-CB 3.49Å
361	D	93.5	Very high	93.3	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.5	170.1	-174.2	-12	0	0	0	109.1	R363 M364 R365 R366 V368	D361-R363 VanDerWaalsContact C-N 3.31Å; D361-R363 PolarHBondContact O-N 2.87Å; D361-R363 WeakPolarHBondContact OD1-CB 3.28Å; D361-R363 PolarHBondContact OD1-N 3.46Å; D361-M364 HydrophobicContact CB-CB 4.31Å; D361-R365 VanDerWaalsContact O-CA 3.31Å; D361-R365 WeakPolarHBondContact O-CA 3.43Å; D361-R365 PolarHBondContact O-N 2.87Å; D361-R366 PolarHBondContact N-O 3.28Å; D361-R366 PolarHBondContact O-N 3.5Å; D361-V368 HydrophobicContact CB-CG2 3.5Å
362	L	91.9	Very high	93.3	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.147	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.9	179.2	-113.6	154.8	0	0	0	112.7	V317 F341 Y346 M348 R365	V317-L362 HydrophobicContact CG1-CD2 4.13Å; F341-L362 HydrophobicContact CD1-CD1 4.44Å; F341-L362 HydrophobicContact CE1-CD1 3.54Å; F341-L362 HydrophobicContact CZ-CD1 4.36Å; Y346-L362 WeakPolarHBondContact O-CB 3.38Å; Y346-L362 PolarHBondContact O-N 2.84Å; M348-L362 HydrophobicContact CE-CB 4.45Å; M348-L362 HydrophobicContact CE-CD1 4.03Å; M348-L362 HydrophobicContact CE-CG 3.66Å; M348-L362 HydrophobicContact CG-CD1 4.03Å; M348-L362 HydrophobicContact SD-CD1 3.5Å; M348-L362 VanDerWaalsContact SD-CD1 3.5Å; M348-L362 HydrophobicContact SD-CG 3.82Å; L362-R365 WeakPolarHBondContact O-CG 3.18Å
363	R	90.8	Very high	93	Very high	150 Å²	150	55.4 Å²	55.4	57%	0.566	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-42.1	-177.7	-63.8	178.2	-179.8	174.7	2.8	111.2	D361	D361-R363 VanDerWaalsContact C-N 3.31Å; D361-R363 PolarHBondContact O-N 2.87Å; D361-R363 WeakPolarHBondContact OD1-CB 3.28Å; D361-R363 PolarHBondContact OD1-N 3.46Å
364	M	89.9	Confident	92.9	Very high	108 Å²	108	55.4 Å²	55.4	53%	0.532	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.6	178	-59.5	-172.7	-160.2	0	0	113.1	D361 R366	D361-M364 HydrophobicContact CB-CB 4.31Å; M364-R366 VanDerWaalsContact C-N 3.27Å; M364-R366 HydrophobicContact CB-CG 3.82Å; M364-R366 PolarHBondContact O-N 2.99Å; M364-R366 PolarHBondContact SD-NE 3.01Å; M364-R366 VanDerWaalsContact SD-NE 3.41Å; M364-R366 PolarHBondContact SD-NH2 2.8Å
365	R	89.6	Confident	92.9	Very high	164 Å²	164	61.4 Å²	61.4	62%	0.619	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	44.1	-175.2	-60.2	-177.1	179.8	174.8	-1.4	113.3	M327 D361 L362	M327-R365 HydrophobicContact CE-CB 4.29Å; M327-R365 HydrophobicContact SD-CB 4.25Å; M327-R365 HydrophobicContact SD-CG 4.43Å; D361-R365 VanDerWaalsContact O-CA 3.31Å; D361-R365 WeakPolarHBondContact O-CA 3.43Å; D361-R365 PolarHBondContact O-N 2.87Å; L362-R365 WeakPolarHBondContact O-CG 3.18Å
366	R	91.4	Very high	92.9	Very high	149 Å²	149	61.3 Å²	61.3	56%	0.562	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.2	178.7	68.1	-177.6	180	160.8	0.5	112.4	D361 M364 V368	D361-R366 PolarHBondContact N-O 3.28Å; D361-R366 PolarHBondContact O-N 3.5Å; M364-R366 VanDerWaalsContact C-N 3.27Å; M364-R366 HydrophobicContact CB-CG 3.82Å; M364-R366 PolarHBondContact O-N 2.99Å; M364-R366 PolarHBondContact SD-NE 3.01Å; M364-R366 VanDerWaalsContact SD-NE 3.41Å; M364-R366 PolarHBondContact SD-NH2 2.8Å; R366-V368 PolarHBondContact O-N 3.05Å
367	C	91.6	Very high	92.8	Very high	43 Å²	43	62 Å²	62	29%	0.291	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120	165.6	-174.8	0	0	0	0	108.5	M359 W360	M359-C367 CarbonylContact O-C 3.59Å; M359-C367 WeakPolarHBondContact O-CA 3.49Å; W360-C367 HydrophobicContact CD2-CB 4.32Å; W360-C367 HydrophobicContact CE3-CB 3.74Å; W360-C367 HydrophobicContact CH2-CB 3.84Å; W360-C367 HydrophobicContact CZ2-CB 4.42Å; W360-C367 HydrophobicContact CZ3-CB 3.49Å; W360-C367 VanDerWaalsContact CZ3-CB 3.49Å
368	V	92	Very high	92.9	Very high	68 Å²	68	62 Å²	62	41%	0.412	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-44.8	176.9	177.8	0	0	0	0	110.5	M359 D361 R366	M359-V368 PolarHBondContact O-N 3.27Å; D361-V368 HydrophobicContact CB-CG2 3.5Å; R366-V368 PolarHBondContact O-N 3.05Å
369	Y	93.2	Very high	92.8	Very high	108 Å²	108	60.7 Å²	60.7	42%	0.424	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	141.7	-172.6	-165.2	-103.8	0	0	0	111.3	M359 L371 W408	M359-Y369 WeakPolarHBondContact CB-O 3.46Å; M359-Y369 PolarHBondContact N-O 2.77Å; M359-Y369 PolarHBondContact O-N 2.91Å; Y369-L371 HydrophobicContact CD1-CB 4.23Å; Y369-L371 HydrophobicContact CE1-CB 4.26Å; Y369-L371 HydrophobicContact CE1-CD1 3.94Å; Y369-W408 HydrophobicContact CD1-CB 3.99Å; Y369-W408 AromaticContact CD1-CD1 3.81Å; Y369-W408 HydrophobicContact CD1-CG 4.04Å; Y369-W408 HydrophobicContact CE1-CB 4.01Å; Y369-W408 AromaticContact CG-CD1 3.98Å
370	T	94.3	Very high	92.8	Very high	74 Å²	74	60.9 Å²	60.9	45%	0.454	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.2	172.9	58.3	0	0	0	0	108.6	K358 P372	K358-T370 HydrophobicContact CD-CG2 4.03Å; K358-T370 HydrophobicContact CG-CG2 3.96Å; T370-P372 WeakPolarHBondContact O-CD 3.27Å
371	L	93.5	Very high	92.9	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.3	-177.5	-175.8	67.3	0	0	0	110.4	S356 C357 Y369 A373 M391 W403 W408	S356-L371 CarbonylContact C-O 3.49Å; S356-L371 VanDerWaalsContact CA-O 3.32Å; S356-L371 WeakPolarHBondContact CA-O 3.48Å; C357-L371 HydrophobicContact CB-CB 4.18Å; C357-L371 HydrophobicContact CB-CD2 4.35Å; C357-L371 PolarHBondContact N-O 3.46Å; C357-L371 WeakPolarHBondContact O-CA 3.19Å; C357-L371 WeakPolarHBondContact O-CB 3.43Å; C357-L371 PolarHBondContact O-N 3.39Å; Y369-L371 HydrophobicContact CD1-CB 4.23Å; Y369-L371 HydrophobicContact CE1-CB 4.26Å; Y369-L371 HydrophobicContact CE1-CD1 3.94Å; L371-A373 HydrophobicContact CD2-CB 4.44Å; L371-A373 HydrophobicContact CG-CB 4.47Å; L371-A373 PolarHBondContact O-N 3.46Å; L371-M391 HydrophobicContact CD2-CE 3.67Å; L371-W403 HydrophobicContact CD1-CD2 4.37Å; L371-W403 HydrophobicContact CD1-CE3 3.75Å; L371-W403 HydrophobicContact CD1-CH2 4.04Å; L371-W403 HydrophobicContact CD1-CZ3 3.55Å; L371-W403 HydrophobicContact CD2-CD2 3.74Å; L371-W403 HydrophobicContact CD2-CE3 3.99Å; L371-W403 HydrophobicContact CD2-CG 4.12Å; L371-W403 HydrophobicContact CD2-CH2 4.42Å; L371-W403 HydrophobicContact CD2-CZ2 4.21Å; L371-W403 HydrophobicContact CD2-CZ3 4.31Å; L371-W403 HydrophobicContact CG-CE3 4.34Å; L371-W403 HydrophobicContact CG-CH2 4.29Å; L371-W403 HydrophobicContact CG-CZ2 4.47Å; L371-W403 HydrophobicContact CG-CZ3 4.22Å; L371-W408 HydrophobicContact CD1-CB 4.01Å; L371-W408 WeakPolarHBondContact CD1-O 3.44Å
372	P	93.5	Very high	92.9	Very high	97 Å²	97	60.8 Å²	60.8	63%	0.63	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	90.5	167	30	-32.7	0	0	0	109.1	T370	T370-P372 WeakPolarHBondContact O-CD 3.27Å
373	A	90.6	Very high	92.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.			trans	-79	-50.6	-166.7	0	0	0	0	0	112.3	N355 C357 L371 V378 R401 W403	N355-A373 PolarHBondContact O-N 3.04Å; C357-A373 HydrophobicContact CB-CB 4.42Å; L371-A373 HydrophobicContact CD2-CB 4.44Å; L371-A373 HydrophobicContact CG-CB 4.47Å; L371-A373 PolarHBondContact O-N 3.46Å; A373-V378 HydrophobicContact CB-CG2 4.13Å; A373-R401 WeakPolarHBondContact O-CD 3.45Å; A373-R401 PolarHBondContact O-NH1 2.99Å; A373-W403 HydrophobicContact CB-CZ2 4.26Å; A373-W403 WeakPolarHBondContact O-CZ2 3.43Å
374	H	93.4	Very high	92.7	Very high	15 Å²	15	52.5 Å²	52.5	7%	0.069	26%	0.259	C	S	.	.			trans	-140.5	173.7	-167.7	-77.1	-86.2	0	0	0	113.6	N355 S376 T393 S395 D397 T399	N355-H374 WeakPolarHBondContact CB-O 3.47Å; N355-H374 PolarHBondContact O-N 3.07Å; H374-S376 WeakPolarHBondContact CB-O 3.35Å; H374-T393 PolarHBondContact CD2-OG1 2.97Å; H374-T393 WeakPolarHBondContact NE2-CB 3.33Å; H374-T393 PolarHBondContact NE2-O 3.31Å; H374-T393 PolarHBondContact NE2-OG1 2.78Å; H374-S395 VanDerWaalsContact CB-OG 3.31Å; H374-S395 WeakPolarHBondContact CB-OG 3.38Å; H374-S395 WeakPolarHBondContact ND1-CB 3.23Å; H374-D397 WeakPolarHBondContact CB-OD2 3.37Å; H374-D397 IonicContact CE1-OD1 2.72Å; H374-D397 IonicContact CG-OD2 3.3Å; H374-D397 IonicContact ND1-OD1 2.68Å; H374-D397 PolarHBondContact ND1-OD1 2.78Å; H374-D397 IonicContact ND1-OD2 2.86Å; H374-D397 PolarHBondContact ND1-OD2 3.4Å; H374-T399 PolarHBondContact CE1-O 3.41Å; H374-T399 PolarHBondContact ND1-OG1 3.45Å
375	Q	93.3	Very high	92.2	Very high	163 Å²	163	51 Å²	51	76%	0.762	26%	0.257	S	S	*	.	S	Bend	trans	-85.7	-20.7	174.1	-68.1	-178.3	-12.5	0	0	112.9	N355 D397	N355-Q375 VanDerWaalsContact ND2-C 3.34Å; N355-Q375 PolarHBondContact ND2-O 3.3Å; Q375-D397 HydrophobicContact CB-CB 4.29Å; Q375-D397 PolarHBondContact N-OD2 3.07Å
376	S	94.3	Very high	91.4	Very high	43 Å²	43	50.1 Å²	50.1	30%	0.301	26%	0.257	S	S	.	.	S	Bend	trans	-124.1	-177.8	175.5	-160.1	0	0	0	0	110.3	N355 H374 S395	N355-S376 WeakPolarHBondContact CB-O 3.28Å; N355-S376 VanDerWaalsContact CG-C 3.43Å; N355-S376 WeakPolarHBondContact OD1-CA 3.48Å; N355-S376 PolarHBondContact OD1-O 2.88Å; H374-S376 WeakPolarHBondContact CB-O 3.35Å; S376-S395 PolarHBondContact O-OG 3.3Å
377	L	94.6	Very high	90.5	Very high	35 Å²	35	47.3 Å²	47.3	18%	0.183	25%	0.253	C	S	.	.			trans	-57	147.1	-179	65	79.7	0	0	0	111.5	L337 A353 N355 S395 Y396	L337-L377 HydrophobicContact CD1-CB 4.12Å; L337-L377 HydrophobicContact CD1-CD1 3.67Å; L337-L377 HydrophobicContact CD1-CD2 4.12Å; L337-L377 HydrophobicContact CD1-CG 4.2Å; A353-L377 HydrophobicContact CB-CB 3.95Å; N355-L377 PolarHBondContact OD1-N 3.3Å; L377-S395 WeakPolarHBondContact O-CA 3.34Å; L377-S395 WeakPolarHBondContact O-CB 3.42Å; L377-S395 PolarHBondContact O-OG 3.41Å; L377-Y396 HydrophobicContact CD1-CD1 3.44Å; L377-Y396 VanDerWaalsContact CD1-CD1 3.44Å; L377-Y396 HydrophobicContact CD1-CD2 3.47Å; L377-Y396 VanDerWaalsContact CD1-CD2 3.47Å; L377-Y396 HydrophobicContact CD1-CE1 3.6Å; L377-Y396 HydrophobicContact CD1-CE2 3.63Å; L377-Y396 HydrophobicContact CD1-CG 3.37Å; L377-Y396 HydrophobicContact CD2-CD2 3.56Å; L377-Y396 HydrophobicContact CD2-CE2 3.7Å; L377-Y396 HydrophobicContact CD2-CG 4.26Å; L377-Y396 HydrophobicContact CG-CD1 4.28Å; L377-Y396 HydrophobicContact CG-CD2 3.51Å; L377-Y396 HydrophobicContact CG-CE2 3.98Å; L377-Y396 HydrophobicContact CG-CG 3.68Å; L377-Y396 PolarHBondContact O-N 3.28Å
378	V	95.5	Very high	90	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.8	176.8	-174.3	0	0	0	0	108	T338 S352 A373 I381 G394	T338-V378 HydrophobicContact CG2-CB 4.48Å; T338-V378 HydrophobicContact CG2-CG1 3.98Å; S352-V378 PolarHBondContact O-N 2.61Å; A373-V378 HydrophobicContact CB-CG2 4.13Å; V378-I381 HydrophobicContact CG1-CD1 4.41Å; V378-I381 HydrophobicContact CG1-CG1 3.97Å; V378-G394 WeakPolarHBondContact CG1-O 3.35Å
379	S	93.9	Very high	89.7	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-41.8	-173.3	57	0	0	0	0	113.1	G394 V421	S379-G394 PolarHBondContact N-O 2.74Å; S379-G394 VanDerWaalsContact OG-C 3.3Å; S379-G394 PolarHBondContact OG-O 3.36Å; S379-G394 VanDerWaalsContact OG-O 3.12Å; S379-V421 WeakPolarHBondContact CB-O 3.42Å; S379-V421 PolarHBondContact OG-O 3.31Å
380	K	94.8	Very high	89.6	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146.5	175.7	-163.1	67.4	-171.8	176.1	0	111.4	Y161 D296 G394	Y161-K380 HydrophobicContact CE2-CD 4.17Å; Y161-K380 VanDerWaalsContact OH-CE 3.25Å; Y161-K380 WeakPolarHBondContact OH-CE 3.5Å; D296-K380 IonicContact OD1-NZ 3.72Å; D296-K380 PolarHBondContact OD1-NZ 3.2Å; D296-K380 IonicContact OD2-NZ 2.73Å; D296-K380 PolarHBondContact OD2-NZ 3.4Å; K380-G394 PolarHBondContact O-N 2.96Å
381	I	94.7	Very high	89.5	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.9	170.7	-57.7	172	0	0	0	106.8	T338 V349 C357 V378 F383 M391 V392 T393	T338-I381 HydrophobicContact CG2-CD1 3.85Å; T338-I381 HydrophobicContact CG2-CG1 3.69Å; T338-I381 PolarHBondContact OG1-N 2.86Å; V349-I381 HydrophobicContact CB-CD1 4.25Å; V349-I381 HydrophobicContact CB-CG2 4.5Å; V349-I381 HydrophobicContact CG1-CD1 3.51Å; V349-I381 HydrophobicContact CG1-CG2 4.43Å; C357-I381 HydrophobicContact CB-CD1 4.29Å; V378-I381 HydrophobicContact CG1-CD1 4.41Å; V378-I381 HydrophobicContact CG1-CG1 3.97Å; I381-F383 HydrophobicContact CG2-CE2 4.18Å; I381-M391 HydrophobicContact CG2-CG 3.64Å; I381-M391 HydrophobicContact CG2-SD 3.54Å; I381-M391 VanDerWaalsContact CG2-SD 3.54Å; I381-V392 WeakPolarHBondContact CA-O 3.45Å; I381-T393 HydrophobicContact CG1-CG2 4.22Å
382	C	93.7	Very high	89.6	Confident	16 Å²	16	35.7 Å²	35.7	11%	0.108	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.1	172	-164.9	0	0	0	0	110.3	E340 M391 V392 I426	E340-C382 VanDerWaalsContact CD-CA 3.5Å; E340-C382 WeakPolarHBondContact OE1-CA 3.31Å; E340-C382 WeakPolarHBondContact OE2-CA 3.37Å; E340-C382 PolarHBondContact OE2-N 2.65Å; E340-C382 VanDerWaalsContact OE2-N 3.11Å; C382-M391 WeakPolarHBondContact O-CA 3.31Å; C382-V392 PolarHBondContact N-O 3.27Å; C382-V392 PolarHBondContact O-N 3.5Å; C382-I426 HydrophobicContact CB-CD1 3.9Å; C382-I426 HydrophobicContact CB-CG1 3.96Å; C382-I426 VanDerWaalsContact SG-CG1 3.57Å
383	F	91.9	Very high	89.7	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.4	171.1	-80.6	-80.6	0	0	0	112.8	E340 T342 P343 V349 M359 I381 T385 M391 W408 I426	E340-F383 HydrophobicContact CB-CD2 4.3Å; E340-F383 HydrophobicContact CB-CE2 4.49Å; E340-F383 HydrophobicContact CG-CD2 4.12Å; E340-F383 PolarHBondContact OE1-N 3.06Å; E340-F383 VanDerWaalsContact OE2-CD2 3.27Å; E340-F383 WeakPolarHBondContact OE2-CD2 3.43Å; E340-F383 PolarHBondContact OE2-N 3.35Å; E340-F383 VanDerWaalsContact OE2-N 3.11Å; T342-F383 HydrophobicContact CG2-CD1 4.24Å; T342-F383 HydrophobicContact CG2-CD2 4.34Å; T342-F383 HydrophobicContact CG2-CE1 3.8Å; T342-F383 HydrophobicContact CG2-CE2 3.97Å; T342-F383 HydrophobicContact CG2-CG 4.48Å; T342-F383 HydrophobicContact CG2-CZ 3.66Å; P343-F383 HydrophobicContact CG-CB 4.33Å; V349-F383 HydrophobicContact CB-CE2 4.09Å; V349-F383 HydrophobicContact CB-CZ 4.4Å; V349-F383 HydrophobicContact CG2-CE2 3.36Å; V349-F383 HydrophobicContact CG2-CZ 3.31Å; M359-F383 HydrophobicContact CE-CZ 4.44Å; I381-F383 HydrophobicContact CG2-CE2 4.18Å; F383-T385 PolarHBondContact O-N 3.25Å; F383-M391 HydrophobicContact CD1-CB 3.93Å; F383-M391 HydrophobicContact CD1-CG 4.24Å; F383-M391 HydrophobicContact CE1-CB 3.58Å; F383-M391 HydrophobicContact CE1-CG 3.82Å; F383-M391 HydrophobicContact CE1-SD 4.01Å; F383-M391 HydrophobicContact CE2-CG 4.16Å; F383-M391 HydrophobicContact CE2-SD 4.01Å; F383-M391 HydrophobicContact CZ-CB 4.04Å; F383-M391 HydrophobicContact CZ-CG 3.75Å; F383-M391 HydrophobicContact CZ-SD 3.46Å; F383-M391 WeakPolarHBondContact CZ-SD 3.49Å; F383-W408 AromaticContact CE1-CH2 3.93Å; F383-W408 HydrophobicContact CE1-CH2 3.93Å; F383-W408 HydrophobicContact CE1-CZ3 4.03Å; F383-W408 HydrophobicContact CZ-CH2 4.08Å; F383-W408 HydrophobicContact CZ-CZ3 4.16Å; F383-I426 VanDerWaalsContact C-CD1 3.48Å
384	D	88	Confident	89.9	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.162	C	C	.	.			trans	-63.9	114.8	168.5	175.6	31.6	0	0	0	110.9	P343 K386 N387 G388 F390 S430	P343-D384 WeakPolarHBondContact CG-O 3.43Å; D384-K386 VanDerWaalsContact C-N 3.33Å; D384-K386 PolarHBondContact O-N 3.2Å; D384-K386 PolarHBondContact OD1-N 2.73Å; D384-N387 PolarHBondContact OD2-N 2.85Å; D384-G388 WeakPolarHBondContact O-CA 3.36Å; D384-G388 PolarHBondContact O-N 2.73Å; D384-F390 HydrophobicContact CB-CD1 3.83Å; D384-F390 HydrophobicContact CB-CD2 4.37Å; D384-F390 HydrophobicContact CB-CE1 3.6Å; D384-F390 HydrophobicContact CB-CE2 4.18Å; D384-F390 HydrophobicContact CB-CG 4.22Å; D384-F390 HydrophobicContact CB-CZ 3.79Å; D384-F390 PolarHBondContact N-O 2.66Å; D384-F390 VanDerWaalsContact N-O 3.1Å; D384-S430 VanDerWaalsContact OD1-CB 3.22Å; D384-S430 WeakPolarHBondContact OD1-CB 3.4Å; D384-S430 PolarHBondContact OD1-OG 3.42Å
385	T	78.8	Confident	90	Very high	78 Å²	78	30.4 Å²	30.4	48%	0.479	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26	-175.1	53.5	0	0	0	0	113.7	F383 P428	F383-T385 PolarHBondContact O-N 3.25Å; T385-P428 WeakPolarHBondContact OG1-CA 3.11Å; T385-P428 PolarHBondContact OG1-O 3.41Å
386	K	72.8	Confident	90.1	Very high	145 Å²	145	25.3 Å²	25.3	63%	0.63	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-54	-171.4	-170.8	-177.7	177.7	178.6	0	112.2	D384 S430	D384-K386 VanDerWaalsContact C-N 3.33Å; D384-K386 PolarHBondContact O-N 3.2Å; D384-K386 PolarHBondContact OD1-N 2.73Å; K386-S430 VanDerWaalsContact CB-OG 3.26Å; K386-S430 WeakPolarHBondContact CB-OG 3.46Å
387	N	72.8	Confident	90.1	Very high	89 Å²	89	24.5 Å²	24.5	48%	0.476	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-25.3	-177.8	-62.2	-11.6	0	0	0	112.5	D384 D389	D384-N387 PolarHBondContact OD2-N 2.85Å; N387-D389 VanDerWaalsContact C-N 3.27Å; N387-D389 HydrophobicContact CB-CB 4.29Å; N387-D389 VanDerWaalsContact CB-CG 3.42Å; N387-D389 WeakPolarHBondContact CB-OD2 3.3Å; N387-D389 PolarHBondContact ND2-OD2 2.92Å
388	G	80.9	Confident	90	Very high	7 Å²	7	24.7 Å²	24.7	7%	0.072	13%	0.13	C	C	.	.			trans	73.4	18.3	-172.9	0	0	0	0	0	113.8	D384 N405	D384-G388 WeakPolarHBondContact O-CA 3.36Å; D384-G388 PolarHBondContact O-N 2.73Å; G388-N405 WeakPolarHBondContact O-CB 3.47Å; G388-N405 PolarHBondContact O-ND2 3.41Å
389	D	84.8	Confident	90	Very high	42 Å²	42	26 Å²	26	23%	0.225	14%	0.138	C	C	.	.			trans	-76.1	-24.2	-171.7	-68.1	-29.1	0	0	0	113.1	T139 N387 N405	T139-D389 HydrophobicContact CG2-CB 4.09Å; T139-D389 WeakPolarHBondContact CG2-OD2 3.15Å; N387-D389 VanDerWaalsContact C-N 3.27Å; N387-D389 HydrophobicContact CB-CB 4.29Å; N387-D389 VanDerWaalsContact CB-CG 3.42Å; N387-D389 WeakPolarHBondContact CB-OD2 3.3Å; N387-D389 PolarHBondContact ND2-OD2 2.92Å; D389-N405 PolarHBondContact O-N 2.73Å
390	F	91.1	Very high	90	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.8	-179.8	67.6	-89.2	0	0	0	112.8	W142 I143 D384 V392 I402 W403 I426 L433	W142-F390 HydrophobicContact CE3-CE1 4.39Å; W142-F390 HydrophobicContact CH2-CZ 4.13Å; W142-F390 AromaticContact CZ3-CE1 3.93Å; W142-F390 HydrophobicContact CZ3-CE1 3.93Å; W142-F390 HydrophobicContact CZ3-CE2 4.22Å; W142-F390 AromaticContact CZ3-CZ 3.62Å; W142-F390 HydrophobicContact CZ3-CZ 3.62Å; I143-F390 HydrophobicContact CD1-CB 3.76Å; I143-F390 HydrophobicContact CD1-CD1 4.08Å; I143-F390 HydrophobicContact CD1-CG 3.91Å; D384-F390 HydrophobicContact CB-CD1 3.83Å; D384-F390 HydrophobicContact CB-CD2 4.37Å; D384-F390 HydrophobicContact CB-CE1 3.6Å; D384-F390 HydrophobicContact CB-CE2 4.18Å; D384-F390 HydrophobicContact CB-CG 4.22Å; D384-F390 HydrophobicContact CB-CZ 3.79Å; D384-F390 PolarHBondContact N-O 2.66Å; D384-F390 VanDerWaalsContact N-O 3.1Å; F390-V392 HydrophobicContact CD2-CG2 3.92Å; F390-V392 HydrophobicContact CE2-CG2 3.94Å; F390-I402 HydrophobicContact CB-CG2 4.14Å; F390-I402 HydrophobicContact CD2-CG2 3.95Å; F390-I402 HydrophobicContact CG-CG2 4.34Å; F390-W403 CarbonylContact C-O 3.54Å; F390-W403 WeakPolarHBondContact CA-O 3.31Å; F390-W403 VanDerWaalsContact CB-O 3.32Å; F390-W403 WeakPolarHBondContact CB-O 3.34Å; F390-I426 HydrophobicContact CD2-CD1 4.46Å; F390-I426 HydrophobicContact CE2-CD1 3.86Å; F390-I426 HydrophobicContact CZ-CG2 4.42Å; F390-L433 HydrophobicContact CE2-CD2 4.1Å; F390-L433 HydrophobicContact CZ-CD2 4.49Å
391	M	93.7	Very high	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.3	176.4	-179.3	-177	64.2	0	0	108.7	V349 L371 I381 C382 F383 T393 I402 W403 W408	V349-M391 HydrophobicContact CG1-SD 4.22Å; V349-M391 HydrophobicContact CG2-SD 4.21Å; L371-M391 HydrophobicContact CD2-CE 3.67Å; I381-M391 HydrophobicContact CG2-CG 3.64Å; I381-M391 HydrophobicContact CG2-SD 3.54Å; I381-M391 VanDerWaalsContact CG2-SD 3.54Å; C382-M391 WeakPolarHBondContact O-CA 3.31Å; F383-M391 HydrophobicContact CD1-CB 3.93Å; F383-M391 HydrophobicContact CD1-CG 4.24Å; F383-M391 HydrophobicContact CE1-CB 3.58Å; F383-M391 HydrophobicContact CE1-CG 3.82Å; F383-M391 HydrophobicContact CE1-SD 4.01Å; F383-M391 HydrophobicContact CE2-CG 4.16Å; F383-M391 HydrophobicContact CE2-SD 4.01Å; F383-M391 HydrophobicContact CZ-CB 4.04Å; F383-M391 HydrophobicContact CZ-CG 3.75Å; F383-M391 HydrophobicContact CZ-SD 3.46Å; F383-M391 WeakPolarHBondContact CZ-SD 3.49Å; M391-T393 HydrophobicContact CE-CG2 3.84Å; M391-T393 HydrophobicContact CG-CG2 4.42Å; M391-T393 HydrophobicContact SD-CG2 4.33Å; M391-I402 CarbonylContact O-C 3.57Å; M391-I402 WeakPolarHBondContact O-CA 3.36Å; M391-W403 HydrophobicContact CB-CB 4.42Å; M391-W403 HydrophobicContact CE-CB 3.99Å; M391-W403 HydrophobicContact CE-CG 3.89Å; M391-W403 PolarHBondContact N-O 3.13Å; M391-W403 PolarHBondContact O-N 2.77Å; M391-W408 HydrophobicContact CB-CZ3 4.26Å; M391-W408 HydrophobicContact CE-CE3 3.82Å; M391-W408 HydrophobicContact CE-CZ3 3.81Å; M391-W408 HydrophobicContact SD-CE3 4.5Å; M391-W408 HydrophobicContact SD-CZ3 3.9Å
392	V	94.5	Very high	90	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.2	173.2	-171.4	0	0	0	0	109.3	I381 C382 F390 L400 R401 I402 V424 I426 L433	I381-V392 WeakPolarHBondContact CA-O 3.45Å; C382-V392 PolarHBondContact N-O 3.27Å; C382-V392 PolarHBondContact O-N 3.5Å; F390-V392 HydrophobicContact CD2-CG2 3.92Å; F390-V392 HydrophobicContact CE2-CG2 3.94Å; V392-L400 HydrophobicContact CG1-CB 4.44Å; V392-R401 CarbonylContact C-O 3.52Å; V392-R401 WeakPolarHBondContact CA-O 3.36Å; V392-I402 HydrophobicContact CG1-CG1 4.37Å; V392-I402 HydrophobicContact CG2-CG1 4.05Å; V392-I402 HydrophobicContact CG2-CG2 4.37Å; V392-V424 HydrophobicContact CB-CG1 4.21Å; V392-V424 HydrophobicContact CG1-CG1 3.75Å; V392-I426 HydrophobicContact CB-CD1 4.33Å; V392-I426 HydrophobicContact CG2-CD1 3.83Å; V392-I426 HydrophobicContact CG2-CG1 4.33Å; V392-L433 HydrophobicContact CG2-CD1 4.41Å; V392-L433 HydrophobicContact CG2-CD2 4.27Å
393	T	95.3	Very high	90	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.7	176	60.2	0	0	0	0	109.6	H374 I381 M391 L400 R401 W403	H374-T393 PolarHBondContact CD2-OG1 2.97Å; H374-T393 WeakPolarHBondContact NE2-CB 3.33Å; H374-T393 PolarHBondContact NE2-O 3.31Å; H374-T393 PolarHBondContact NE2-OG1 2.78Å; I381-T393 HydrophobicContact CG1-CG2 4.22Å; M391-T393 HydrophobicContact CE-CG2 3.84Å; M391-T393 HydrophobicContact CG-CG2 4.42Å; M391-T393 HydrophobicContact SD-CG2 4.33Å; T393-L400 WeakPolarHBondContact O-CA 3.45Å; T393-R401 PolarHBondContact N-O 2.87Å; T393-R401 PolarHBondContact O-N 3.31Å; T393-R401 PolarHBondContact OG1-O 2.8Å; T393-W403 PolarHBondContact OG1-NE1 2.91Å
394	G	94.5	Very high	89.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145	170.8	0	0	0	0	0	111.3	V378 S379 K380	V378-G394 WeakPolarHBondContact CG1-O 3.35Å; S379-G394 PolarHBondContact N-O 2.74Å; S379-G394 VanDerWaalsContact OG-C 3.3Å; S379-G394 PolarHBondContact OG-O 3.36Å; S379-G394 VanDerWaalsContact OG-O 3.12Å; K380-G394 PolarHBondContact O-N 2.96Å
395	S	95.9	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	165.3	-178.4	179.5	0	0	0	0	113.2	H374 S376 L377 D397 T399 V421	H374-S395 VanDerWaalsContact CB-OG 3.31Å; H374-S395 WeakPolarHBondContact CB-OG 3.38Å; H374-S395 WeakPolarHBondContact ND1-CB 3.23Å; S376-S395 PolarHBondContact O-OG 3.3Å; L377-S395 WeakPolarHBondContact O-CA 3.34Å; L377-S395 WeakPolarHBondContact O-CB 3.42Å; L377-S395 PolarHBondContact O-OG 3.41Å; S395-D397 WeakPolarHBondContact CB-OD1 3.49Å; S395-D397 PolarHBondContact O-N 3.37Å; S395-D397 PolarHBondContact OG-N 2.89Å; S395-T399 PolarHBondContact N-O 3.02Å; S395-V421 WeakPolarHBondContact O-CB 3.31Å; S395-V421 PolarHBondContact O-N 3.23Å
396	Y	95.3	Very high	89.8	Confident	57 Å²	57	29.9 Å²	29.9	22%	0.224	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.9	172.2	-77.4	18.3	0	0	0	113.3	L377 S398 K420 V421 M422	L377-Y396 HydrophobicContact CD1-CD1 3.44Å; L377-Y396 VanDerWaalsContact CD1-CD1 3.44Å; L377-Y396 HydrophobicContact CD1-CD2 3.47Å; L377-Y396 VanDerWaalsContact CD1-CD2 3.47Å; L377-Y396 HydrophobicContact CD1-CE1 3.6Å; L377-Y396 HydrophobicContact CD1-CE2 3.63Å; L377-Y396 HydrophobicContact CD1-CG 3.37Å; L377-Y396 HydrophobicContact CD2-CD2 3.56Å; L377-Y396 HydrophobicContact CD2-CE2 3.7Å; L377-Y396 HydrophobicContact CD2-CG 4.26Å; L377-Y396 HydrophobicContact CG-CD1 4.28Å; L377-Y396 HydrophobicContact CG-CD2 3.51Å; L377-Y396 HydrophobicContact CG-CE2 3.98Å; L377-Y396 HydrophobicContact CG-CG 3.68Å; L377-Y396 PolarHBondContact O-N 3.28Å; Y396-S398 PolarHBondContact O-N 3.45Å; Y396-K420 HydrophobicContact CD1-CB 3.8Å; Y396-K420 HydrophobicContact CD1-CG 4.33Å; Y396-K420 HydrophobicContact CD2-CB 4.42Å; Y396-K420 HydrophobicContact CD2-CD 3.64Å; Y396-K420 HydrophobicContact CD2-CG 4.15Å; Y396-K420 HydrophobicContact CE1-CB 4.31Å; Y396-K420 HydrophobicContact CE2-CD 4.06Å; Y396-K420 HydrophobicContact CG-CB 3.86Å; Y396-K420 HydrophobicContact CG-CD 3.89Å; Y396-K420 HydrophobicContact CG-CG 3.86Å; Y396-V421 WeakPolarHBondContact CD1-O 3.41Å; Y396-M422 HydrophobicContact CE1-CE 4.46Å; Y396-M422 HydrophobicContact CE1-SD 3.6Å; Y396-M422 WeakPolarHBondContact OH-CE 3.42Å; Y396-M422 PolarHBondContact OH-SD 2.94Å
397	D	93.8	Very high	90.3	Very high	25 Å²	25	25 Å²	25	13%	0.134	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	10.9	169.6	69.7	8.1	0	0	0	113.6	H374 Q375 S395 T399	H374-D397 WeakPolarHBondContact CB-OD2 3.37Å; H374-D397 IonicContact CE1-OD1 2.72Å; H374-D397 IonicContact CG-OD2 3.3Å; H374-D397 IonicContact ND1-OD1 2.68Å; H374-D397 PolarHBondContact ND1-OD1 2.78Å; H374-D397 IonicContact ND1-OD2 2.86Å; H374-D397 PolarHBondContact ND1-OD2 3.4Å; Q375-D397 HydrophobicContact CB-CB 4.29Å; Q375-D397 PolarHBondContact N-OD2 3.07Å; S395-D397 WeakPolarHBondContact CB-OD1 3.49Å; S395-D397 PolarHBondContact O-N 3.37Å; S395-D397 PolarHBondContact OG-N 2.89Å; D397-T399 PolarHBondContact O-N 3.41Å; D397-T399 WeakPolarHBondContact OD1-CB 3.23Å; D397-T399 PolarHBondContact OD1-N 3.48Å; D397-T399 PolarHBondContact OD1-OG1 2.87Å; D397-T399 PolarHBondContact OD2-OG1 2.75Å
398	S	93.3	Very high	90.9	Very high	40 Å²	40	21.7 Å²	21.7	28%	0.28	13%	0.127	S	C	.	.	S	Bend	trans	64.3	9.6	-176.6	69.1	0	0	0	0	115.6	Y396 S419	Y396-S398 PolarHBondContact O-N 3.45Å; S398-S419 VanDerWaalsContact CA-O 3.3Å; S398-S419 WeakPolarHBondContact CA-O 3.49Å; S398-S419 WeakPolarHBondContact CB-O 3.44Å
399	T	94.6	Very high	91.4	Very high	26 Å²	26	27.4 Å²	27.4	16%	0.16	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	151.3	178.7	73.6	0	0	0	0	112.4	H374 S395 D397 T413	H374-T399 PolarHBondContact CE1-O 3.41Å; H374-T399 PolarHBondContact ND1-OG1 3.45Å; S395-T399 PolarHBondContact N-O 3.02Å; D397-T399 PolarHBondContact O-N 3.41Å; D397-T399 WeakPolarHBondContact OD1-CB 3.23Å; D397-T399 PolarHBondContact OD1-N 3.48Å; D397-T399 PolarHBondContact OD1-OG1 2.87Å; D397-T399 PolarHBondContact OD2-OG1 2.75Å; T399-T413 HydrophobicContact CG2-CG2 4.07Å
400	L	95	Very high	91.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.2	161.9	-52.1	169.4	0	0	0	108.2	V392 T393 T413 L414 V421 V424 W445	V392-L400 HydrophobicContact CG1-CB 4.44Å; T393-L400 WeakPolarHBondContact O-CA 3.45Å; L400-T413 CarbonylContact O-C 3.5Å; L400-T413 WeakPolarHBondContact O-CA 3.49Å; L400-L414 HydrophobicContact CB-CB 4.11Å; L400-L414 HydrophobicContact CB-CD1 4.31Å; L400-L414 HydrophobicContact CD1-CD1 4.21Å; L400-L414 PolarHBondContact N-O 2.88Å; L400-L414 PolarHBondContact O-N 3.14Å; L400-V421 HydrophobicContact CD2-CB 4.28Å; L400-V421 HydrophobicContact CD2-CG1 3.63Å; L400-V421 HydrophobicContact CD2-CG2 4.05Å; L400-V424 HydrophobicContact CD2-CG2 3.34Å; L400-W445 HydrophobicContact CD1-CZ2 4.11Å
401	R	94.8	Very high	91.6	Very high	60 Å²	60	31.5 Å²	31.5	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136	174.4	-70.5	177.5	179.4	-162.8	-4.8	110.3	A373 V392 T393 W403 T413	A373-R401 WeakPolarHBondContact O-CD 3.45Å; A373-R401 PolarHBondContact O-NH1 2.99Å; V392-R401 CarbonylContact C-O 3.52Å; V392-R401 WeakPolarHBondContact CA-O 3.36Å; T393-R401 PolarHBondContact N-O 2.87Å; T393-R401 PolarHBondContact O-N 3.31Å; T393-R401 PolarHBondContact OG1-O 2.8Å; R401-W403 HydrophobicContact CB-CZ2 3.94Å; R401-T413 HydrophobicContact CG-CG2 4.05Å
402	I	94.6	Very high	91.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.7	177	-51.7	-179.2	0	0	0	108.5	I143 F390 M391 V392 L411 K412 L414 L433	I143-I402 HydrophobicContact CD1-CG2 3.87Å; I143-I402 HydrophobicContact CG1-CG2 4.16Å; I143-I402 HydrophobicContact CG2-CB 4.01Å; I143-I402 HydrophobicContact CG2-CD1 3.87Å; I143-I402 HydrophobicContact CG2-CG2 3.75Å; F390-I402 HydrophobicContact CB-CG2 4.14Å; F390-I402 HydrophobicContact CD2-CG2 3.95Å; F390-I402 HydrophobicContact CG-CG2 4.34Å; M391-I402 CarbonylContact O-C 3.57Å; M391-I402 WeakPolarHBondContact O-CA 3.36Å; V392-I402 HydrophobicContact CG1-CG1 4.37Å; V392-I402 HydrophobicContact CG2-CG1 4.05Å; V392-I402 HydrophobicContact CG2-CG2 4.37Å; I402-L411 PolarHBondContact O-N 2.85Å; I402-K412 PolarHBondContact N-O 3.39Å; I402-L414 HydrophobicContact CD1-CD1 3.95Å; I402-L414 HydrophobicContact CD1-CG 4.3Å; I402-L414 HydrophobicContact CG1-CD1 4.42Å; I402-L433 HydrophobicContact CD1-CD1 3.92Å
403	W	93.3	Very high	91.5	Very high	8 Å²	8	37.1 Å²	37.1	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.9	-176.2	-51.8	88.6	0	0	0	110.5	L371 A373 F390 M391 T393 R401 Q409 P410	L371-W403 HydrophobicContact CD1-CD2 4.37Å; L371-W403 HydrophobicContact CD1-CE3 3.75Å; L371-W403 HydrophobicContact CD1-CH2 4.04Å; L371-W403 HydrophobicContact CD1-CZ3 3.55Å; L371-W403 HydrophobicContact CD2-CD2 3.74Å; L371-W403 HydrophobicContact CD2-CE3 3.99Å; L371-W403 HydrophobicContact CD2-CG 4.12Å; L371-W403 HydrophobicContact CD2-CH2 4.42Å; L371-W403 HydrophobicContact CD2-CZ2 4.21Å; L371-W403 HydrophobicContact CD2-CZ3 4.31Å; L371-W403 HydrophobicContact CG-CE3 4.34Å; L371-W403 HydrophobicContact CG-CH2 4.29Å; L371-W403 HydrophobicContact CG-CZ2 4.47Å; L371-W403 HydrophobicContact CG-CZ3 4.22Å; A373-W403 HydrophobicContact CB-CZ2 4.26Å; A373-W403 WeakPolarHBondContact O-CZ2 3.43Å; F390-W403 CarbonylContact C-O 3.54Å; F390-W403 WeakPolarHBondContact CA-O 3.31Å; F390-W403 VanDerWaalsContact CB-O 3.32Å; F390-W403 WeakPolarHBondContact CB-O 3.34Å; M391-W403 HydrophobicContact CB-CB 4.42Å; M391-W403 HydrophobicContact CE-CB 3.99Å; M391-W403 HydrophobicContact CE-CG 3.89Å; M391-W403 PolarHBondContact N-O 3.13Å; M391-W403 PolarHBondContact O-N 2.77Å; T393-W403 PolarHBondContact OG1-NE1 2.91Å; R401-W403 HydrophobicContact CB-CZ2 3.94Å; W403-Q409 WeakPolarHBondContact CA-O 3.23Å; W403-P410 VanDerWaalsContact CE3-CA 3.46Å; W403-P410 HydrophobicContact CE3-CB 3.79Å; W403-P410 HydrophobicContact CE3-CG 4.41Å; W403-P410 VanDerWaalsContact CE3-N 3.34Å; W403-P410 HydrophobicContact CH2-CB 3.93Å; W403-P410 HydrophobicContact CH2-CG 4.48Å; W403-P410 HydrophobicContact CZ3-CB 3.43Å; W403-P410 VanDerWaalsContact CZ3-CB 3.43Å; W403-P410 HydrophobicContact CZ3-CG 3.81Å
404	T	90.9	Very high	91.4	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	144.7	171.6	170.3	0	0	0	0	112	W408 Q409 L411	T404-W408 VanDerWaalsContact O-CA 3.3Å; T404-W408 WeakPolarHBondContact O-CA 3.37Å; T404-W408 PolarHBondContact O-N 3.28Å; T404-Q409 HydrophobicContact CG2-CB 3.63Å; T404-Q409 HydrophobicContact CG2-CG 4.21Å; T404-Q409 VanDerWaalsContact CG2-N 3.32Å; T404-Q409 PolarHBondContact N-O 2.83Å; T404-Q409 VanDerWaalsContact N-O 3.13Å; T404-L411 HydrophobicContact CG2-CD2 4.39Å
405	N	86.4	Confident	91.2	Very high	14 Å²	14	41.9 Å²	41.9	8%	0.075	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	122.6	168.2	-179.8	26	0	0	0	109.5	Q347 G388 D389 W408	Q347-N405 PolarHBondContact OE1-OD1 3.18Å; G388-N405 WeakPolarHBondContact O-CB 3.47Å; G388-N405 PolarHBondContact O-ND2 3.41Å; D389-N405 PolarHBondContact O-N 2.73Å; N405-W408 HydrophobicContact CB-CH2 3.87Å; N405-W408 HydrophobicContact CB-CZ2 4.45Å; N405-W408 HydrophobicContact CB-CZ3 4.13Å; N405-W408 WeakPolarHBondContact OD1-CH2 3.1Å; N405-W408 WeakPolarHBondContact OD1-CZ2 3.25Å
406	P	78.3	Confident	90.7	Very high	97 Å²	97	43.5 Å²	43.5	63%	0.63	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.2	142.4	-1.1	33.9	-33.6	0	0	0	112.8
407	G	82.2	Confident	90.5	Very high	43 Å²	43	41.3 Å²	41.3	44%	0.443	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	139.8	-22.6	173.2	0	0	0	0	0	114.1	Q409	G407-Q409 PolarHBondContact O-N 3.34Å; G407-Q409 VanDerWaalsContact O-N 3.13Å
408	W	86.8	Confident	90.5	Very high	18 Å²	18	48.4 Å²	48.4	7%	0.068	28%	0.279	C	S	.	.			trans	54.9	31.2	173.4	-45.8	110.1	0	0	0	114	M359 Y369 L371 F383 M391 T404 N405	M359-W408 HydrophobicContact CE-CD2 4.39Å; M359-W408 HydrophobicContact CE-CE3 4.36Å; M359-W408 HydrophobicContact CE-CH2 3.07Å; M359-W408 HydrophobicContact CE-CZ2 3.08Å; M359-W408 HydrophobicContact CE-CZ3 3.74Å; M359-W408 HydrophobicContact CG-CD2 3.94Å; M359-W408 HydrophobicContact CG-CE3 4.41Å; M359-W408 HydrophobicContact CG-CG 4.39Å; M359-W408 HydrophobicContact CG-CZ2 4.09Å; M359-W408 HydrophobicContact SD-CD2 3.97Å; M359-W408 HydrophobicContact SD-CE3 3.85Å; M359-W408 HydrophobicContact SD-CH2 3.66Å; M359-W408 HydrophobicContact SD-CZ2 3.78Å; M359-W408 HydrophobicContact SD-CZ3 3.67Å; Y369-W408 HydrophobicContact CD1-CB 3.99Å; Y369-W408 AromaticContact CD1-CD1 3.81Å; Y369-W408 HydrophobicContact CD1-CG 4.04Å; Y369-W408 HydrophobicContact CE1-CB 4.01Å; Y369-W408 AromaticContact CG-CD1 3.98Å; L371-W408 HydrophobicContact CD1-CB 4.01Å; L371-W408 WeakPolarHBondContact CD1-O 3.44Å; F383-W408 AromaticContact CE1-CH2 3.93Å; F383-W408 HydrophobicContact CE1-CH2 3.93Å; F383-W408 HydrophobicContact CE1-CZ3 4.03Å; F383-W408 HydrophobicContact CZ-CH2 4.08Å; F383-W408 HydrophobicContact CZ-CZ3 4.16Å; M391-W408 HydrophobicContact CB-CZ3 4.26Å; M391-W408 HydrophobicContact CE-CE3 3.82Å; M391-W408 HydrophobicContact CE-CZ3 3.81Å; M391-W408 HydrophobicContact SD-CE3 4.5Å; M391-W408 HydrophobicContact SD-CZ3 3.9Å; T404-W408 VanDerWaalsContact O-CA 3.3Å; T404-W408 WeakPolarHBondContact O-CA 3.37Å; T404-W408 PolarHBondContact O-N 3.28Å; N405-W408 HydrophobicContact CB-CH2 3.87Å; N405-W408 HydrophobicContact CB-CZ2 4.45Å; N405-W408 HydrophobicContact CB-CZ3 4.13Å; N405-W408 WeakPolarHBondContact OD1-CH2 3.1Å; N405-W408 WeakPolarHBondContact OD1-CZ2 3.25Å
409	Q	90.1	Very high	90.5	Very high	128 Å²	128	47.8 Å²	47.8	60%	0.598	28%	0.275	S	S	*	.			trans	-82.5	139.7	174.7	-59.1	178.8	-16.5	0	0	109.9	W403 T404 G407 L411	W403-Q409 WeakPolarHBondContact CA-O 3.23Å; T404-Q409 HydrophobicContact CG2-CB 3.63Å; T404-Q409 HydrophobicContact CG2-CG 4.21Å; T404-Q409 VanDerWaalsContact CG2-N 3.32Å; T404-Q409 PolarHBondContact N-O 2.83Å; T404-Q409 VanDerWaalsContact N-O 3.13Å; G407-Q409 PolarHBondContact O-N 3.34Å; G407-Q409 VanDerWaalsContact O-N 3.13Å; Q409-L411 PolarHBondContact O-N 2.73Å
410	P	91	Very high	90.5	Very high	85 Å²	85	51.4 Å²	51.4	55%	0.552	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.3	174.1	26.4	-27.6	0	0	0	108.9	W403	W403-P410 VanDerWaalsContact CE3-CA 3.46Å; W403-P410 HydrophobicContact CE3-CB 3.79Å; W403-P410 HydrophobicContact CE3-CG 4.41Å; W403-P410 VanDerWaalsContact CE3-N 3.34Å; W403-P410 HydrophobicContact CH2-CB 3.93Å; W403-P410 HydrophobicContact CH2-CG 4.48Å; W403-P410 HydrophobicContact CZ3-CB 3.43Å; W403-P410 VanDerWaalsContact CZ3-CB 3.43Å; W403-P410 HydrophobicContact CZ3-CG 3.81Å
411	L	90.1	Very high	90.5	Very high	46 Å²	46	51.4 Å²	51.4	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-51.7	178.2	-61.4	171.3	0	0	0	110.7	H140 I143 I402 T404 Q409	H140-L411 VanDerWaalsContact CD2-CD2 3.45Å; H140-L411 WeakPolarHBondContact CD2-CD2 3.41Å; I143-L411 HydrophobicContact CD1-CD1 3.39Å; I143-L411 HydrophobicContact CG2-CB 3.9Å; I143-L411 HydrophobicContact CG2-CD1 4.23Å; I402-L411 PolarHBondContact O-N 2.85Å; T404-L411 HydrophobicContact CG2-CD2 4.39Å; Q409-L411 PolarHBondContact O-N 2.73Å
412	K	91.7	Very high	90.5	Very high	59 Å²	59	49.1 Å²	49.1	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	139.9	-177	-168.4	169.4	-173.3	177	0	111.1	I143 T144 V146 I402 L414	I143-K412 HydrophobicContact CG2-CB 4.01Å; I143-K412 VanDerWaalsContact O-CD 3.23Å; I143-K412 WeakPolarHBondContact O-CD 3.35Å; T144-K412 PolarHBondContact O-NZ 2.78Å; V146-K412 WeakPolarHBondContact O-CE 3.3Å; V146-K412 PolarHBondContact O-NZ 3.49Å; I402-K412 PolarHBondContact N-O 3.39Å; K412-L414 HydrophobicContact CD-CD2 3.9Å; K412-L414 HydrophobicContact CG-CD2 4.16Å
413	T	94.1	Very high	90.5	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.6	164.4	-55.2	0	0	0	0	107.4	T399 L400 R401 P415	T399-T413 HydrophobicContact CG2-CG2 4.07Å; L400-T413 CarbonylContact O-C 3.5Å; L400-T413 WeakPolarHBondContact O-CA 3.49Å; R401-T413 HydrophobicContact CG-CG2 4.05Å; T413-P415 WeakPolarHBondContact O-CD 3.05Å
414	L	92.9	Very high	90.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	100.1	175.2	-55.3	172.1	0	0	0	108.5	V146 L400 I402 K412 L433 W445	V146-L414 HydrophobicContact CB-CD2 4.46Å; V146-L414 HydrophobicContact CG1-CD1 4.18Å; V146-L414 HydrophobicContact CG1-CD2 4.09Å; L400-L414 HydrophobicContact CB-CB 4.11Å; L400-L414 HydrophobicContact CB-CD1 4.31Å; L400-L414 HydrophobicContact CD1-CD1 4.21Å; L400-L414 PolarHBondContact N-O 2.88Å; L400-L414 PolarHBondContact O-N 3.14Å; I402-L414 HydrophobicContact CD1-CD1 3.95Å; I402-L414 HydrophobicContact CD1-CG 4.3Å; I402-L414 HydrophobicContact CG1-CD1 4.42Å; K412-L414 HydrophobicContact CD-CD2 3.9Å; K412-L414 HydrophobicContact CG-CD2 4.16Å; L414-L433 HydrophobicContact CD1-CD1 4.14Å; L414-W445 HydrophobicContact CB-CD2 4.48Å; L414-W445 HydrophobicContact CB-CE3 4.07Å; L414-W445 HydrophobicContact CB-CH2 3.98Å; L414-W445 HydrophobicContact CB-CZ2 4.38Å; L414-W445 HydrophobicContact CB-CZ3 3.81Å; L414-W445 HydrophobicContact CD1-CB 4.47Å; L414-W445 HydrophobicContact CD1-CD2 3.89Å; L414-W445 HydrophobicContact CD1-CE3 3.95Å; L414-W445 HydrophobicContact CD1-CG 4.11Å; L414-W445 HydrophobicContact CD2-CE3 4.08Å; L414-W445 HydrophobicContact CD2-CZ3 4.31Å; L414-W445 HydrophobicContact CG-CE3 4.27Å; L414-W445 HydrophobicContact CG-CZ3 4.45Å
415	P	91.4	Very high	90.7	Very high	98 Å²	98	48.5 Å²	48.5	64%	0.636	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	143.4	166.7	33.2	-33.8	0	0	0	109.3	T413 W445	T413-P415 WeakPolarHBondContact O-CD 3.05Å; P415-W445 WeakPolarHBondContact O-CH2 3.33Å
416	G	84.3	Confident	91	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	28%	0.277	S	S	.	.			trans	170.7	-28	169.4	0	0	0	0	0	113.6	K443	G416-K443 PolarHBondContact O-NZ 2.88Å
417	H	91.7	Very high	91.6	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.051	25%	0.247	C	C	.	.			trans	-73.3	141.6	175.1	-71.7	-65.5	0	0	0	111.2	S419 V421 S435 S437 D439 K443	H417-S419 VanDerWaalsContact C-N 3.29Å; H417-V421 HydrophobicContact CB-CG2 4.18Å; H417-S435 PolarHBondContact CE1-OG 2.86Å; H417-S435 WeakPolarHBondContact NE2-CB 3.46Å; H417-S435 PolarHBondContact NE2-OG 2.73Å; H417-S437 PolarHBondContact CE1-OG 3.01Å; H417-S437 VanDerWaalsContact CE1-OG 3.25Å; H417-S437 VanDerWaalsContact ND1-CB 3.28Å; H417-S437 WeakPolarHBondContact ND1-CB 3.37Å; H417-S437 PolarHBondContact ND1-OG 3.39Å; H417-D439 IonicContact ND1-OD2 2.7Å; H417-K443 WeakPolarHBondContact ND1-CE 3.39Å
418	E	92.7	Very high	91.8	Very high	175 Å²	175	43.8 Å²	43.8	82%	0.818	24%	0.24	S	C	*	.	S	Bend	trans	-84.5	-13.4	177.3	-64.8	-176.8	173.1	0	0	111.6	D439	E418-D439 HydrophobicContact CB-CB 4.4Å; E418-D439 PolarHBondContact N-OD2 3.33Å
419	S	94.1	Very high	91.6	Very high	27 Å²	27	45.6 Å²	45.6	19%	0.189	25%	0.251	C	S	.	.	S	Bend	trans	-145.8	-172.5	-173.2	70.3	0	0	0	0	111.4	S398 H417 V421 F438 D439	S398-S419 VanDerWaalsContact CA-O 3.3Å; S398-S419 WeakPolarHBondContact CA-O 3.49Å; S398-S419 WeakPolarHBondContact CB-O 3.44Å; H417-S419 VanDerWaalsContact C-N 3.29Å; S419-V421 PolarHBondContact O-N 3.31Å; S419-F438 VanDerWaalsContact OG-C 3.27Å; S419-F438 WeakPolarHBondContact OG-CA 3.47Å; S419-F438 WeakPolarHBondContact OG-CB 3.16Å; S419-F438 PolarHBondContact OG-N 2.79Å; S419-D439 WeakPolarHBondContact OG-CB 3.4Å; S419-D439 PolarHBondContact OG-N 2.89Å
420	K	94.5	Very high	91.3	Very high	101 Å²	101	40.2 Å²	40.2	44%	0.439	23%	0.228	S	C	.	.			trans	-57.1	129.7	-177.4	-59.8	170.3	179	178.3	0	111.1	Y396 S437 F438	Y396-K420 HydrophobicContact CD1-CB 3.8Å; Y396-K420 HydrophobicContact CD1-CG 4.33Å; Y396-K420 HydrophobicContact CD2-CB 4.42Å; Y396-K420 HydrophobicContact CD2-CD 3.64Å; Y396-K420 HydrophobicContact CD2-CG 4.15Å; Y396-K420 HydrophobicContact CE1-CB 4.31Å; Y396-K420 HydrophobicContact CE2-CD 4.06Å; Y396-K420 HydrophobicContact CG-CB 3.86Å; Y396-K420 HydrophobicContact CG-CD 3.89Å; Y396-K420 HydrophobicContact CG-CG 3.86Å; K420-S437 CarbonylContact O-C 3.46Å; K420-S437 VanDerWaalsContact O-CA 3.3Å; K420-S437 WeakPolarHBondContact O-CA 3.43Å; K420-F438 HydrophobicContact CB-CB 4.18Å; K420-F438 PolarHBondContact O-N 2.75Å
421	V	95.4	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126	170.8	-176.3	0	0	0	0	108.6	S379 S395 Y396 L400 H417 S419 V424 T436	S379-V421 WeakPolarHBondContact CB-O 3.42Å; S379-V421 PolarHBondContact OG-O 3.31Å; S395-V421 WeakPolarHBondContact O-CB 3.31Å; S395-V421 PolarHBondContact O-N 3.23Å; Y396-V421 WeakPolarHBondContact CD1-O 3.41Å; L400-V421 HydrophobicContact CD2-CB 4.28Å; L400-V421 HydrophobicContact CD2-CG1 3.63Å; L400-V421 HydrophobicContact CD2-CG2 4.05Å; H417-V421 HydrophobicContact CB-CG2 4.18Å; S419-V421 PolarHBondContact O-N 3.31Å; V421-V424 HydrophobicContact CG1-CG2 4.04Å; V421-T436 WeakPolarHBondContact CG1-O 3.32Å
422	M	94.6	Very high	91	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.059	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-38.1	-178.2	-64.7	-58.6	-63.5	0	0	112.6	L159 W176 Y396 T436	L159-M422 VanDerWaalsContact O-CB 3.27Å; L159-M422 WeakPolarHBondContact O-CB 3.19Å; L159-M422 VanDerWaalsContact O-CG 3.31Å; L159-M422 WeakPolarHBondContact O-CG 3.25Å; W176-M422 HydrophobicContact CZ2-CE 4.04Å; Y396-M422 HydrophobicContact CE1-CE 4.46Å; Y396-M422 HydrophobicContact CE1-SD 3.6Å; Y396-M422 WeakPolarHBondContact OH-CE 3.42Å; Y396-M422 PolarHBondContact OH-SD 2.94Å; M422-T436 PolarHBondContact N-O 2.6Å
423	C	94.6	Very high	91.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.6	179.2	-171	0	0	0	0	112	Y161 S435 T436	Y161-C423 HydrophobicContact CD2-CB 3.86Å; Y161-C423 WeakPolarHBondContact CD2-SG 3.32Å; Y161-C423 HydrophobicContact CE2-CB 4.32Å; Y161-C423 WeakPolarHBondContact CE2-SG 3.42Å; Y161-C423 HydrophobicContact CG-CB 4.34Å; C423-S435 WeakPolarHBondContact O-CA 3.31Å; C423-T436 WeakPolarHBondContact CB-OG1 3.43Å; C423-T436 PolarHBondContact N-O 2.92Å; C423-T436 PolarHBondContact O-N 3.31Å; C423-T436 PolarHBondContact O-OG1 3.18Å
424	V	94.4	Very high	91.1	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.2	175.9	-172	0	0	0	0	107.5	V392 L400 V421 A434	V392-V424 HydrophobicContact CB-CG1 4.21Å; V392-V424 HydrophobicContact CG1-CG1 3.75Å; L400-V424 HydrophobicContact CD2-CG2 3.34Å; V421-V424 HydrophobicContact CG1-CG2 4.04Å; V424-A434 WeakPolarHBondContact CA-O 3.15Å
425	A	94.1	Very high	91.2	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150	171.5	0	0	0	0	0	109.8	F164 L433 A434	F164-A425 HydrophobicContact CD2-CB 3.7Å; F164-A425 HydrophobicContact CE2-CB 4.09Å; F164-A425 WeakPolarHBondContact CE2-O 3.47Å; A425-L433 WeakPolarHBondContact O-CA 3.12Å; A425-A434 PolarHBondContact N-O 3.21Å; A425-A434 PolarHBondContact O-N 3.34Å
426	I	92.9	Very high	91.4	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.051	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.1	175.2	-59.1	172.2	0	0	0	106.7	F164 C382 F383 F390 V392 L433	F164-I426 VanDerWaalsContact CD2-C 3.49Å; C382-I426 HydrophobicContact CB-CD1 3.9Å; C382-I426 HydrophobicContact CB-CG1 3.96Å; C382-I426 VanDerWaalsContact SG-CG1 3.57Å; F383-I426 VanDerWaalsContact C-CD1 3.48Å; F390-I426 HydrophobicContact CD2-CD1 4.46Å; F390-I426 HydrophobicContact CE2-CD1 3.86Å; F390-I426 HydrophobicContact CZ-CG2 4.42Å; V392-I426 HydrophobicContact CB-CD1 4.33Å; V392-I426 HydrophobicContact CG2-CD1 3.83Å; V392-I426 HydrophobicContact CG2-CG1 4.33Å; I426-L433 HydrophobicContact CB-CD2 4.25Å; I426-L433 HydrophobicContact CD1-CD2 4.4Å; I426-L433 HydrophobicContact CG1-CD2 3.69Å; I426-L433 HydrophobicContact CG2-CD2 4.02Å
427	S	91	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.			trans	-64.9	144.1	174.9	57.5	0	0	0	0	110.6	N429 S430 C431 W432	S427-N429 WeakPolarHBondContact CB-OD1 3.49Å; S427-N429 PolarHBondContact O-N 3.3Å; S427-N429 PolarHBondContact OG-OD1 3.28Å; S427-S430 WeakPolarHBondContact O-CA 3.31Å; S427-S430 PolarHBondContact O-N 2.86Å; S427-C431 PolarHBondContact OG-N 3.33Å; S427-W432 WeakPolarHBondContact CB-O 3.4Å; S427-W432 PolarHBondContact N-O 3.17Å; S427-W432 PolarHBondContact OG-N 2.64Å; S427-W432 PolarHBondContact OG-O 3.2Å
428	P	85.9	Confident	92	Very high	46 Å²	46	28.4 Å²	28.4	30%	0.299	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.5	179.5	-29.1	35.8	0	0	0	115.7	T385 S430	T385-P428 WeakPolarHBondContact OG1-CA 3.11Å; T385-P428 PolarHBondContact OG1-O 3.41Å; P428-S430 VanDerWaalsContact C-N 3.31Å
429	N	83.1	Confident	92	Very high	56 Å²	56	21.2 Å²	21.2	30%	0.299	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.9	174.9	64.7	-2.2	0	0	0	114	S168 S427 C431	S168-N429 PolarHBondContact OG-ND2 3.43Å; S427-N429 WeakPolarHBondContact CB-OD1 3.49Å; S427-N429 PolarHBondContact O-N 3.3Å; S427-N429 PolarHBondContact OG-OD1 3.28Å; N429-C431 PolarHBondContact O-N 3.49Å; N429-C431 VanDerWaalsContact O-N 3.13Å; N429-C431 PolarHBondContact O-SG 3.2Å; N429-C431 PolarHBondContact OD1-N 3.17Å
430	S	83.6	Confident	92	Very high	15 Å²	15	25.9 Å²	25.9	11%	0.105	13%	0.126	C	C	.	.	S	Bend	trans	61.6	11	-179.1	-34.7	0	0	0	0	115.1	W142 D384 K386 S427 P428	W142-S430 VanDerWaalsContact CH2-O 3.24Å; W142-S430 WeakPolarHBondContact CH2-O 3.48Å; W142-S430 WeakPolarHBondContact CZ2-O 3.33Å; D384-S430 VanDerWaalsContact OD1-CB 3.22Å; D384-S430 WeakPolarHBondContact OD1-CB 3.4Å; D384-S430 PolarHBondContact OD1-OG 3.42Å; K386-S430 VanDerWaalsContact CB-OG 3.26Å; K386-S430 WeakPolarHBondContact CB-OG 3.46Å; S427-S430 WeakPolarHBondContact O-CA 3.31Å; S427-S430 PolarHBondContact O-N 2.86Å; P428-S430 VanDerWaalsContact C-N 3.31Å
431	C	85.6	Confident	91.9	Very high	42 Å²	42	22.1 Å²	22.1	28%	0.284	11%	0.112	S	C	.	.	S	Bend	trans	-87.2	-26	-176.6	-64.3	0	0	0	0	113.3	S427 N429	S427-C431 PolarHBondContact OG-N 3.33Å; N429-C431 PolarHBondContact O-N 3.49Å; N429-C431 VanDerWaalsContact O-N 3.13Å; N429-C431 PolarHBondContact O-SG 3.2Å; N429-C431 PolarHBondContact OD1-N 3.17Å
432	W	89.8	Confident	91.9	Very high	14 Å²	14	22.3 Å²	22.3	5%	0.053	11%	0.113	C	C	.	.			trans	-125.4	140.2	-173.8	-54.7	94	0	0	0	110.9	Y149 F164 V185 P186 S427 L444 W445 A446 V450	Y149-W432 HydrophobicContact CD1-CH2 4.21Å; Y149-W432 AromaticContact CD1-CZ3 3.69Å; Y149-W432 HydrophobicContact CD1-CZ3 3.69Å; Y149-W432 HydrophobicContact CD2-CH2 4.46Å; Y149-W432 HydrophobicContact CD2-CZ3 4.22Å; Y149-W432 HydrophobicContact CE1-CH2 4.1Å; Y149-W432 HydrophobicContact CE1-CZ3 4.04Å; Y149-W432 HydrophobicContact CE2-CH2 4.35Å; Y149-W432 HydrophobicContact CG-CH2 4.39Å; Y149-W432 AromaticContact CG-CZ3 3.79Å; Y149-W432 HydrophobicContact CG-CZ3 3.79Å; F164-W432 HydrophobicContact CE1-CB 4.09Å; F164-W432 HydrophobicContact CZ-CB 3.86Å; V185-W432 HydrophobicContact CG1-CD2 4.05Å; V185-W432 HydrophobicContact CG1-CG 4.15Å; P186-W432 HydrophobicContact CB-CH2 3.57Å; P186-W432 HydrophobicContact CB-CZ2 3.76Å; P186-W432 HydrophobicContact CB-CZ3 4.28Å; S427-W432 WeakPolarHBondContact CB-O 3.4Å; S427-W432 PolarHBondContact N-O 3.17Å; S427-W432 PolarHBondContact OG-N 2.64Å; S427-W432 PolarHBondContact OG-O 3.2Å; W432-L444 HydrophobicContact CE3-CD1 4.46Å; W432-W445 WeakPolarHBondContact CA-O 3.45Å; W432-A446 HydrophobicContact CD2-CB 4.25Å; W432-A446 HydrophobicContact CE3-CB 3.51Å; W432-A446 HydrophobicContact CH2-CB 4.15Å; W432-A446 HydrophobicContact CZ3-CB 3.44Å; W432-A446 VanDerWaalsContact CZ3-CB 3.44Å; W432-V450 HydrophobicContact CZ2-CB 4.44Å; W432-V450 HydrophobicContact CZ2-CG1 3.89Å
433	L	93.4	Very high	91.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.4	164.3	-41.9	170.6	0	0	0	107.6	W142 V146 F390 V392 I402 L414 A425 I426 L444 W445	W142-L433 HydrophobicContact CH2-CD2 4.32Å; W142-L433 HydrophobicContact CH2-CG 4.39Å; V146-L433 HydrophobicContact CG1-CD1 4.04Å; F390-L433 HydrophobicContact CE2-CD2 4.1Å; F390-L433 HydrophobicContact CZ-CD2 4.49Å; V392-L433 HydrophobicContact CG2-CD1 4.41Å; V392-L433 HydrophobicContact CG2-CD2 4.27Å; I402-L433 HydrophobicContact CD1-CD1 3.92Å; L414-L433 HydrophobicContact CD1-CD1 4.14Å; A425-L433 WeakPolarHBondContact O-CA 3.12Å; I426-L433 HydrophobicContact CB-CD2 4.25Å; I426-L433 HydrophobicContact CD1-CD2 4.4Å; I426-L433 HydrophobicContact CG1-CD2 3.69Å; I426-L433 HydrophobicContact CG2-CD2 4.02Å; L433-L444 CarbonylContact O-C 3.55Å; L433-L444 WeakPolarHBondContact O-CA 3.42Å; L433-W445 HydrophobicContact CB-CB 4Å; L433-W445 HydrophobicContact CB-CG 4.42Å; L433-W445 HydrophobicContact CD1-CB 4.31Å; L433-W445 HydrophobicContact CG-CB 4.42Å; L433-W445 PolarHBondContact N-O 3.38Å; L433-W445 PolarHBondContact O-N 3.3Å
434	A	94.1	Very high	91.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.4	171.7	0	0	0	0	0	109.2	F164 I171 V424 A425 K443 L444	F164-A434 HydrophobicContact CD2-CB 4.3Å; F164-A434 HydrophobicContact CE1-CB 4.47Å; F164-A434 HydrophobicContact CE2-CB 3.34Å; F164-A434 HydrophobicContact CZ-CB 3.44Å; F164-A434 VanDerWaalsContact CZ-CB 3.44Å; I171-A434 HydrophobicContact CD1-CB 4.07Å; V424-A434 WeakPolarHBondContact CA-O 3.15Å; A425-A434 PolarHBondContact N-O 3.21Å; A425-A434 PolarHBondContact O-N 3.34Å; A434-K443 CarbonylContact C-O 3.54Å; A434-K443 WeakPolarHBondContact CA-O 3.34Å; A434-L444 HydrophobicContact CB-CD2 3.84Å
435	S	94.9	Very high	91.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139	177.3	55.3	0	0	0	0	110.2	H417 C423 V442 K443 W445	H417-S435 PolarHBondContact CE1-OG 2.86Å; H417-S435 WeakPolarHBondContact NE2-CB 3.46Å; H417-S435 PolarHBondContact NE2-OG 2.73Å; C423-S435 WeakPolarHBondContact O-CA 3.31Å; S435-V442 WeakPolarHBondContact O-CA 3.45Å; S435-K443 PolarHBondContact N-O 3.4Å; S435-K443 PolarHBondContact O-N 2.75Å; S435-K443 PolarHBondContact OG-O 3.02Å; S435-W445 PolarHBondContact OG-NE1 3.35Å
436	T	94.4	Very high	91.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.3	177	43.7	0	0	0	0	109.9	L159 C162 T173 V421 M422 C423 V442	L159-T436 HydrophobicContact CB-CG2 3.91Å; L159-T436 HydrophobicContact CD1-CG2 3.93Å; C162-T436 HydrophobicContact CB-CG2 3.57Å; T173-T436 HydrophobicContact CG2-CG2 4.3Å; V421-T436 WeakPolarHBondContact CG1-O 3.32Å; M422-T436 PolarHBondContact N-O 2.6Å; C423-T436 WeakPolarHBondContact CB-OG1 3.43Å; C423-T436 PolarHBondContact N-O 2.92Å; C423-T436 PolarHBondContact O-N 3.31Å; C423-T436 PolarHBondContact O-OG1 3.18Å; T436-V442 HydrophobicContact CG2-CG1 4.45Å; T436-V442 HydrophobicContact CG2-CG2 4.15Å
437	S	94.6	Very high	91.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	165.3	-167.6	38.9	0	0	0	0	111.6	L159 H417 K420 D439 R440 T441	L159-S437 PolarHBondContact N-O 2.72Å; H417-S437 PolarHBondContact CE1-OG 3.01Å; H417-S437 VanDerWaalsContact CE1-OG 3.25Å; H417-S437 VanDerWaalsContact ND1-CB 3.28Å; H417-S437 WeakPolarHBondContact ND1-CB 3.37Å; H417-S437 PolarHBondContact ND1-OG 3.39Å; K420-S437 CarbonylContact O-C 3.46Å; K420-S437 VanDerWaalsContact O-CA 3.3Å; K420-S437 WeakPolarHBondContact O-CA 3.43Å; S437-D439 WeakPolarHBondContact CB-OD1 3.43Å; S437-D439 PolarHBondContact O-N 3.26Å; S437-D439 VanDerWaalsContact OG-CG 3.24Å; S437-D439 PolarHBondContact OG-OD1 3.01Å; S437-D439 PolarHBondContact OG-OD2 3.13Å; S437-R440 PolarHBondContact O-N 3.04Å; S437-T441 PolarHBondContact N-O 3.37Å; S437-T441 PolarHBondContact OG-O 2.74Å; S437-T441 VanDerWaalsContact OG-O 3.09Å; S437-T441 PolarHBondContact OG-OG1 2.67Å
438	F	94.4	Very high	90	Very high	89 Å²	89	30 Å²	30	39%	0.39	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.8	177.4	-161.3	-92.9	0	0	0	113.1	P158 W176 S419 K420 R440	P158-F438 HydrophobicContact CB-CD2 3.66Å; P158-F438 HydrophobicContact CB-CE2 3.91Å; P158-F438 HydrophobicContact CB-CG 4.17Å; P158-F438 HydrophobicContact CG-CD1 4.26Å; P158-F438 HydrophobicContact CG-CD2 3.67Å; P158-F438 HydrophobicContact CG-CE1 4.1Å; P158-F438 HydrophobicContact CG-CE2 3.49Å; P158-F438 VanDerWaalsContact CG-CE2 3.49Å; P158-F438 HydrophobicContact CG-CG 4.05Å; P158-F438 HydrophobicContact CG-CZ 3.72Å; W176-F438 HydrophobicContact CE3-CE2 4.47Å; W176-F438 HydrophobicContact CH2-CD2 4.42Å; W176-F438 AromaticContact CH2-CE2 3.76Å; W176-F438 HydrophobicContact CH2-CE2 3.76Å; W176-F438 AromaticContact CZ3-CE2 3.67Å; W176-F438 HydrophobicContact CZ3-CE2 3.67Å; W176-F438 HydrophobicContact CZ3-CZ 4.4Å; S419-F438 VanDerWaalsContact OG-C 3.27Å; S419-F438 WeakPolarHBondContact OG-CA 3.47Å; S419-F438 WeakPolarHBondContact OG-CB 3.16Å; S419-F438 PolarHBondContact OG-N 2.79Å; K420-F438 HydrophobicContact CB-CB 4.18Å; K420-F438 PolarHBondContact O-N 2.75Å; F438-R440 PolarHBondContact O-N 3.42Å
439	D	93.1	Very high	88.8	Confident	25 Å²	25	35.3 Å²	35.3	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.1	176.1	62.1	22.1	0	0	0	112.3	H417 E418 S419 S437 T441	H417-D439 IonicContact ND1-OD2 2.7Å; E418-D439 HydrophobicContact CB-CB 4.4Å; E418-D439 PolarHBondContact N-OD2 3.33Å; S419-D439 WeakPolarHBondContact OG-CB 3.4Å; S419-D439 PolarHBondContact OG-N 2.89Å; S437-D439 WeakPolarHBondContact CB-OD1 3.43Å; S437-D439 PolarHBondContact O-N 3.26Å; S437-D439 VanDerWaalsContact OG-CG 3.24Å; S437-D439 PolarHBondContact OG-OD1 3.01Å; S437-D439 PolarHBondContact OG-OD2 3.13Å; D439-T441 PolarHBondContact O-N 3.21Å; D439-T441 WeakPolarHBondContact OD1-CB 3.45Å; D439-T441 PolarHBondContact OD1-N 2.92Å; D439-T441 PolarHBondContact OD1-OG1 3.33Å
440	R	93.2	Very high	87.7	Confident	124 Å²	124	34.5 Å²	34.5	47%	0.468	17%	0.165	S	C	.	.	S	Bend	trans	74.3	10.3	178.3	-43.9	165.4	-72.5	-163.1	-0.2	113.7	G154 D155 T156 S437 F438	G154-R440 PolarHBondContact N-O 2.96Å; D155-R440 WeakPolarHBondContact O-CB 3.28Å; T156-R440 WeakPolarHBondContact O-CD 3.18Å; S437-R440 PolarHBondContact O-N 3.04Å; F438-R440 PolarHBondContact O-N 3.42Å
441	T	94.1	Very high	85.9	Confident	22 Å²	22	38.1 Å²	38.1	14%	0.135	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	150.9	178	71.7	0	0	0	0	112.5	Q152 V153 S437 D439 K443	Q152-T441 CarbonylContact O-C 3.59Å; Q152-T441 VanDerWaalsContact O-CA 3.22Å; Q152-T441 WeakPolarHBondContact O-CA 3.46Å; V153-T441 HydrophobicContact CG2-CG2 4.44Å; S437-T441 PolarHBondContact N-O 3.37Å; S437-T441 PolarHBondContact OG-O 2.74Å; S437-T441 VanDerWaalsContact OG-O 3.09Å; S437-T441 PolarHBondContact OG-OG1 2.67Å; D439-T441 PolarHBondContact O-N 3.21Å; D439-T441 WeakPolarHBondContact OD1-CB 3.45Å; D439-T441 PolarHBondContact OD1-N 2.92Å; D439-T441 PolarHBondContact OD1-OG1 3.33Å; T441-K443 VanDerWaalsContact OG1-CE 3.29Å; T441-K443 WeakPolarHBondContact OG1-CE 3.49Å
442	V	93.6	Very high	83.9	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.2	164.4	-172.5	0	0	0	0	106.2	S151 Q152 L159 T173 S435 T436	S151-V442 WeakPolarHBondContact CA-O 3.19Å; Q152-V442 PolarHBondContact N-O 2.94Å; Q152-V442 PolarHBondContact O-N 3.04Å; L159-V442 HydrophobicContact CD1-CG2 3.33Å; T173-V442 HydrophobicContact CG2-CG1 4.49Å; T173-V442 HydrophobicContact CG2-CG2 3.76Å; S435-V442 WeakPolarHBondContact O-CA 3.45Å; T436-V442 HydrophobicContact CG2-CG1 4.45Å; T436-V442 HydrophobicContact CG2-CG2 4.15Å
443	K	93.8	Very high	81.4	Confident	19 Å²	19	45.8 Å²	45.8	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.5	174.7	-58.4	-170.7	-170.2	-150.5	0	110.5	C150 G416 H417 A434 S435 T441 W445	C150-K443 CarbonylContact O-C 3.58Å; C150-K443 WeakPolarHBondContact O-CA 3.37Å; G416-K443 PolarHBondContact O-NZ 2.88Å; H417-K443 WeakPolarHBondContact ND1-CE 3.39Å; A434-K443 CarbonylContact C-O 3.54Å; A434-K443 WeakPolarHBondContact CA-O 3.34Å; S435-K443 PolarHBondContact N-O 3.4Å; S435-K443 PolarHBondContact O-N 2.75Å; S435-K443 PolarHBondContact OG-O 3.02Å; T441-K443 VanDerWaalsContact OG1-CE 3.29Å; T441-K443 WeakPolarHBondContact OG1-CE 3.49Å; K443-W445 HydrophobicContact CB-CZ2 4.34Å; K443-W445 HydrophobicContact CD-CZ2 4.37Å
444	L	93.5	Very high	78.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.7	169.6	-62.7	-167.9	0	0	0	110.1	N148 Y149 C150 F164 I171 V185 C188 W432 L433 A434	N148-L444 PolarHBondContact OD1-O 2.88Å; Y149-L444 PolarHBondContact N-O 3.41Å; C150-L444 PolarHBondContact N-O 2.73Å; C150-L444 PolarHBondContact O-N 3.28Å; F164-L444 HydrophobicContact CZ-CD2 4.45Å; I171-L444 HydrophobicContact CD1-CD1 4.4Å; I171-L444 HydrophobicContact CD1-CD2 3.29Å; I171-L444 HydrophobicContact CD1-CG 4.43Å; V185-L444 HydrophobicContact CG1-CD1 4.37Å; C188-L444 WeakPolarHBondContact SG-CD1 3.49Å; W432-L444 HydrophobicContact CE3-CD1 4.46Å; L433-L444 CarbonylContact O-C 3.55Å; L433-L444 WeakPolarHBondContact O-CA 3.42Å; A434-L444 HydrophobicContact CB-CD2 3.84Å
445	W	92.6	Very high	75.4	Confident	5 Å²	5	57.3 Å²	57.3	2%	0.019	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.1	176.5	-47.2	80.6	0	0	0	109.4	V146 S147 N148 L400 L414 P415 W432 L433 S435 K443	V146-W445 HydrophobicContact CG1-CB 3.57Å; S147-W445 VanDerWaalsContact O-CA 3.24Å; S147-W445 WeakPolarHBondContact O-CA 3.33Å; N148-W445 HydrophobicContact CB-CD2 4.5Å; N148-W445 HydrophobicContact CB-CE3 3.88Å; N148-W445 HydrophobicContact CB-CH2 4.05Å; N148-W445 HydrophobicContact CB-CZ3 3.63Å; N148-W445 VanDerWaalsContact N-CE3 3.32Å; L400-W445 HydrophobicContact CD1-CZ2 4.11Å; L414-W445 HydrophobicContact CB-CD2 4.48Å; L414-W445 HydrophobicContact CB-CE3 4.07Å; L414-W445 HydrophobicContact CB-CH2 3.98Å; L414-W445 HydrophobicContact CB-CZ2 4.38Å; L414-W445 HydrophobicContact CB-CZ3 3.81Å; L414-W445 HydrophobicContact CD1-CB 4.47Å; L414-W445 HydrophobicContact CD1-CD2 3.89Å; L414-W445 HydrophobicContact CD1-CE3 3.95Å; L414-W445 HydrophobicContact CD1-CG 4.11Å; L414-W445 HydrophobicContact CD2-CE3 4.08Å; L414-W445 HydrophobicContact CD2-CZ3 4.31Å; L414-W445 HydrophobicContact CG-CE3 4.27Å; L414-W445 HydrophobicContact CG-CZ3 4.45Å; P415-W445 WeakPolarHBondContact O-CH2 3.33Å; W432-W445 WeakPolarHBondContact CA-O 3.45Å; L433-W445 HydrophobicContact CB-CB 4Å; L433-W445 HydrophobicContact CB-CG 4.42Å; L433-W445 HydrophobicContact CD1-CB 4.31Å; L433-W445 HydrophobicContact CG-CB 4.42Å; L433-W445 PolarHBondContact N-O 3.38Å; L433-W445 PolarHBondContact O-N 3.3Å; S435-W445 PolarHBondContact OG-NE1 3.35Å; K443-W445 HydrophobicContact CB-CZ2 4.34Å; K443-W445 HydrophobicContact CD-CZ2 4.37Å
446	A	88.7	Confident	72.4	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.1	175.9	0	0	0	0	0	108.5	S147 W432 V450	S147-A446 PolarHBondContact N-O 3Å; S147-A446 PolarHBondContact O-N 3.27Å; S147-A446 VanDerWaalsContact O-N 3.1Å; S147-A446 VanDerWaalsContact O-O 3.08Å; W432-A446 HydrophobicContact CD2-CB 4.25Å; W432-A446 HydrophobicContact CE3-CB 3.51Å; W432-A446 HydrophobicContact CH2-CB 4.15Å; W432-A446 HydrophobicContact CZ3-CB 3.44Å; W432-A446 VanDerWaalsContact CZ3-CB 3.44Å; A446-V450 HydrophobicContact CB-CG2 4.01Å
447	P	85.3	Confident	69.5	Low	9 Å²	9	68.9 Å²	68.9	6%	0.058	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	150	166.8	32.2	-36.3	0	0	0	110.5	S145 H449 V450	S145-P447 WeakPolarHBondContact O-CA 3.31Å; S145-P447 VanDerWaalsContact OG-CB 3.3Å; S145-P447 WeakPolarHBondContact OG-CB 3.43Å; P447-H449 PolarHBondContact O-N 3.39Å; P447-V450 HydrophobicContact CG-CG2 3.53Å; P447-V450 PolarHBondContact O-N 2.97Å
448	E	69.7	Low	66.5	Low	157 Å²	157	73.2 Å²	73.2	73%	0.734	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.4	-179.4	-68.2	178.4	179.4	0	0	114
449	H	60.3	Low	63.5	Low	159 Å²	159	72.9 Å²	72.9	74%	0.736	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	16.3	-175.5	-58.7	-56.2	0	0	0	115.1	P447 T451	P447-H449 PolarHBondContact O-N 3.39Å; H449-T451 VanDerWaalsContact C-N 3.31Å; H449-T451 PolarHBondContact O-N 3.19Å
450	V	59.6	Low	60.6	Low	39 Å²	39	75 Å²	75	24%	0.236	40%	0.396	C	S	.	.			trans	-71.4	92.2	171.9	-173.3	0	0	0	0	109	W432 A446 P447 T452	W432-V450 HydrophobicContact CZ2-CB 4.44Å; W432-V450 HydrophobicContact CZ2-CG1 3.89Å; A446-V450 HydrophobicContact CB-CG2 4.01Å; P447-V450 HydrophobicContact CG-CG2 3.53Å; P447-V450 PolarHBondContact O-N 2.97Å; V450-T452 PolarHBondContact O-N 3.07Å
451	T	46.5	Very low	57.6	Low	91 Å²	91	72 Å²	72	56%	0.558	39%	0.391	S	S	*	.			trans	-66.4	121	159.4	47.2	0	0	0	0	107.1	H449 N453	H449-T451 VanDerWaalsContact C-N 3.31Å; H449-T451 PolarHBondContact O-N 3.19Å; T451-N453 PolarHBondContact O-N 2.95Å
452	T	42.8	Very low	54.7	Low	69 Å²	69	74.3 Å²	74.3	42%	0.423	41%	0.406	S	S	.	.			trans	-62	118	169	42.5	0	0	0	0	107.4	P186 V450 N454	P186-T452 HydrophobicContact CG-CG2 3.97Å; V450-T452 PolarHBondContact O-N 3.07Å; T452-N454 PolarHBondContact O-N 3.42Å
453	N	37.1	Very low	51.8	Low	148 Å²	148	78.8 Å²	78.8	79%	0.791	44%	0.436	S	S	*	.	S	Bend	trans	-65.6	23.7	176.6	-80.6	-7	0	0	0	114.3	T451	T451-N453 PolarHBondContact O-N 2.95Å
454	N	32.1	Very low	48.9	Very low	116 Å²	116	84 Å²	84	62%	0.62	46%	0.464	S	S	*	.	S	Bend	trans	-134.6	121.8	172.1	-69.9	-33	0	0	0	107	T452	T452-N454 PolarHBondContact O-N 3.42Å
455	T	28.9	Very low	46.2	Very low	126 Å²	126	90.7 Å²	90.7	77%	0.773	50%	0.496	S	S	*	.	S	Bend	trans	69.8	112.3	176.8	63.3	0	0	0	0	117.3
456	E	32.5	Very low	43.5	Very low	143 Å²	143	97.4 Å²	97.4	67%	0.668	53%	0.527	S	S	*	.			trans	76.8	65.8	155.7	-55.6	178.5	-167.9	0	0	118.1
457	D	33	Very low	41	Very low	101 Å²	101	100.3 Å²	100.3	54%	0.54	55%	0.547	S	S	.	.			trans	-65.3	127	154.2	-78	-27	0	0	0	109.1	V459	D457-V459 PolarHBondContact O-N 2.87Å
458	P	32.9	Very low	38.4	Very low	90 Å²	90	105 Å²	105	58%	0.584	58%	0.581	S	S	*	*			trans	-71	100.7	-177.1	27.8	-33.5	0	0	0	110.4	I460	P458-I460 PolarHBondContact O-N 2.93Å
459	V	31	Very low	36.5	Very low	83 Å²	83	104.5 Å²	104.5	50%	0.503	58%	0.582	S	S	.	*			trans	-74.6	103.9	168.8	-178.5	0	0	0	0	108.5	D457 V461 L535	D457-V459 PolarHBondContact O-N 2.87Å; V459-V461 HydrophobicContact CG1-CG2 4.02Å; V459-V461 PolarHBondContact O-N 3.14Å; V459-L535 HydrophobicContact CG1-CB 4.21Å; V459-L535 HydrophobicContact CG1-CD1 4.32Å; V459-L535 HydrophobicContact CG2-CD1 4.26Å
460	I	31.3	Very low	35.1	Very low	68 Å²	68	104.4 Å²	104.4	35%	0.349	59%	0.587	S	S	.	*			trans	-76.5	102.2	170.1	-59	173.6	0	0	0	108.2	P458 V462 V534	P458-I460 PolarHBondContact O-N 2.93Å; I460-V462 HydrophobicContact CG2-CG2 3.93Å; I460-V534 HydrophobicContact CB-CG1 4.47Å; I460-V534 HydrophobicContact CD1-CG2 4.39Å
461	V	31.3	Very low	33.7	Very low	61 Å²	61	110.2 Å²	110.2	37%	0.37	62%	0.615	S	S	.	*			trans	-83.5	117.7	169	-176.8	0	0	0	0	108.8	V459 M475	V459-V461 HydrophobicContact CG1-CG2 4.02Å; V459-V461 PolarHBondContact O-N 3.14Å; V461-M475 WeakPolarHBondContact O-CE 3.28Å
462	V	31.9	Very low	33	Very low	72 Å²	72	112.3 Å²	112.3	44%	0.436	63%	0.628	S	S	.	*			trans	-105.2	101.9	172.5	-177.1	0	0	0	0	108.8	I460 M520	I460-V462 HydrophobicContact CG2-CG2 3.93Å; V462-M520 HydrophobicContact CG1-CE 4.32Å
463	C	33	Very low	32.3	Very low	97 Å²	97	114.7 Å²	114.7	66%	0.655	64%	0.642	S	S	*	*			trans	-86.9	131.2	168.8	49.3	0	0	0	0	110.5
464	N	33.2	Very low	31.9	Very low	129 Å²	129	115.3 Å²	115.3	69%	0.69	64%	0.642	S	S	*	*			trans	-116	85.1	175	-165.7	18.6	0	0	0	108.4
465	H	36.7	Very low	31.7	Very low	141 Å²	141	116.1 Å²	116.1	65%	0.653	64%	0.644	S	S	*	*			trans	-86	123.6	173.9	-141.7	-76.3	0	0	0	109.5	S467	H465-S467 PolarHBondContact CE1-OG 3.37Å; H465-S467 PolarHBondContact ND1-OG 2.92Å
466	Q	35.2	Very low	31.7	Very low	145 Å²	145	116.2 Å²	116.2	68%	0.678	64%	0.644	S	S	*	*			trans	-117.3	56.4	-175.8	-145.7	157.7	23.5	0	0	109.3
467	S	35.8	Very low	31.5	Very low	62 Å²	62	115.3 Å²	115.3	43%	0.434	65%	0.648	S	S	.	*			trans	-133.4	127.1	168.1	57.6	0	0	0	0	109.6	H465	H465-S467 PolarHBondContact CE1-OG 3.37Å; H465-S467 PolarHBondContact ND1-OG 2.92Å
468	S	32.5	Very low	31.2	Very low	109 Å²	109	119.8 Å²	119.8	76%	0.762	66%	0.657	S	S	*	*	S	Bend	trans	-65.5	129.9	165	46.7	0	0	0	0	108.5
469	L	29.7	Very low	31.1	Very low	145 Å²	145	120.2 Å²	120.2	76%	0.759	66%	0.66	S	S	*	*	S	Bend	trans	87.8	132.2	-177.6	-54.2	143.7	0	0	0	112.7
470	D	30.3	Very low	31	Very low	158 Å²	158	123.5 Å²	123.5	85%	0.845	68%	0.675	S	S	*	*			trans	87.9	82.9	172.5	-47.5	-22.9	0	0	0	116.6
471	I	29.7	Very low	31	Very low	160 Å²	160	131.2 Å²	131.2	82%	0.821	70%	0.7	S	S	*	*			trans	-95	104.1	172	-61.6	168	0	0	0	108	T473	I471-T473 HydrophobicContact CG2-CG2 4.39Å
472	V	31.4	Very low	31	Very low	136 Å²	136	133.9 Å²	133.9	82%	0.824	72%	0.72	S	S	*	*			trans	-115.7	116.4	155.9	179.1	0	0	0	0	107.7
473	T	28.4	Very low	31.2	Very low	118 Å²	118	134.5 Å²	134.5	72%	0.724	73%	0.732	S	S	*	*			trans	-67.7	129.1	-175.5	38.5	0	0	0	0	113.1	I471	I471-T473 HydrophobicContact CG2-CG2 4.39Å
474	M	29.4	Very low	31.3	Very low	162 Å²	162	134.8 Å²	134.8	80%	0.798	73%	0.733	S	S	*	*			trans	-146.8	106.2	155.7	-89.6	-133.7	163.6	0	0	111.3	A581	M474-A581 HydrophobicContact CE-CB 4.21Å
475	M	27.5	Very low	31.3	Very low	133 Å²	133	136.4 Å²	136.4	66%	0.655	74%	0.74	S	S	*	*			trans	-154.7	116.4	154.8	-138.9	178.1	175.7	0	0	108.9	V461	V461-M475 WeakPolarHBondContact O-CE 3.28Å
476	V	29	Very low	31.2	Very low	127 Å²	127	132.9 Å²	132.9	77%	0.77	74%	0.736	S	S	*	*			trans	-84.4	127	176.4	176.1	0	0	0	0	108.4
477	V	29.4	Very low	31.1	Very low	124 Å²	124	134.9 Å²	134.9	75%	0.752	74%	0.742	S	S	*	*			trans	-112.4	129.2	173.4	173.8	0	0	0	0	108.6
478	W	26.4	Very low	31.1	Very low	196 Å²	196	141.7 Å²	141.7	74%	0.742	76%	0.764	S	S	*	*			trans	-86.8	132	164.1	-81.8	64.1	0	0	0	110.2
479	P	29.7	Very low	31.2	Very low	99 Å²	99	145 Å²	145	64%	0.643	77%	0.767	S	S	*	*			trans	-83.8	148.6	177.4	34.9	-31.2	0	0	0	111
480	D	29.7	Very low	31.4	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	77%	0.768	S	S	*	*	S	Bend	trans	146.8	-1.8	142.9	-72.6	-12	0	0	0	116.6
481	R	31.3	Very low	31.2	Very low	230 Å²	230	148.6 Å²	148.6	87%	0.868	77%	0.769	S	S	*	*	S	Bend	trans	-126.9	-6	-179.2	-66.1	-170.9	-171.6	-165.1	4	118.1
482	C	31.1	Very low	31.3	Very low	117 Å²	117	151 Å²	151	79%	0.791	77%	0.769	S	S	*	*	S	Bend	trans	-99.6	-2.3	-172.9	-66.5	0	0	0	0	116
483	A	35.2	Very low	31.2	Very low	84 Å²	84	154.9 Å²	154.9	69%	0.694	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-22.6	-170	0	0	0	0	0	118.6
484	P	34.9	Very low	31.3	Very low	103 Å²	103	152.6 Å²	152.6	67%	0.669	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-22.1	-173.6	-10	27.3	0	0	0	116.1
485	L	34.7	Very low	31.2	Very low	163 Å²	163	157 Å²	157	85%	0.853	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-19.1	-166.4	-82.5	151.8	0	0	0	114.7
486	A	33.8	Very low	31.2	Very low	68 Å²	68	161.3 Å²	161.3	56%	0.562	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-4.3	-174.1	0	0	0	0	0	115	K488	A486-K488 PolarHBondContact O-N 3.45Å
487	K	34.4	Very low	31.2	Very low	187 Å²	187	158.8 Å²	158.8	81%	0.813	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-4	-171.8	-83	-176.6	177	177.1	0	116.1
488	K	34.9	Very low	31.2	Very low	204 Å²	204	161.3 Å²	161.3	89%	0.887	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-11	-170.6	-93.6	-178.3	176	177.5	0	117	A486	A486-K488 PolarHBondContact O-N 3.45Å
489	E	35	Very low	31.2	Very low	178 Å²	178	156 Å²	156	83%	0.832	80%	0.804	S	S	*	*	S	Bend	trans	-118.7	-0.5	-166.2	-72.6	-161.2	155.6	0	0	117.5
490	I	33	Very low	31.2	Very low	149 Å²	149	157.8 Å²	157.8	76%	0.764	81%	0.808	S	S	*	*			trans	-122.8	71.3	-172.3	-45.4	177	0	0	0	111.3
491	R	27.5	Very low	31	Very low	230 Å²	230	163 Å²	163	87%	0.868	82%	0.816	S	S	*	*			trans	-92.8	145.5	148.7	-74	178.8	176.1	176.6	-1.7	105.8
492	Y	30.9	Very low	30.9	Very low	210 Å²	210	160.1 Å²	160.1	82%	0.824	82%	0.817	S	S	*	*			trans	83.8	91.1	-169.7	-55.2	-80.8	0	0	0	113.8
493	F	29.5	Very low	30.8	Very low	218 Å²	218	158 Å²	158	96%	0.956	80%	0.803	S	S	*	*				171.3	125.6	123.7	-101.8	-85	0	0	0	108.5
494	G	29.8	Very low	30.4	Very low	71 Å²	71	158.4 Å²	158.4	73%	0.732	82%	0.815	S	S	*	*			trans	-95.9	166.7	-159.5	0	0	0	0	0	117.1
495	W	27.3	Very low	30.1	Very low	254 Å²	254	157.6 Å²	157.6	96%	0.962	81%	0.81	S	S	*	*	S	Bend	trans	44.5	73.3	155.4	-83.1	43.8	0	0	0	117.3
496	F	27.7	Very low	29.7	Very low	223 Å²	223	156.9 Å²	156.9	98%	0.978	81%	0.806	S	S	*	*	S	Bend	trans	-179.5	59	144.2	-109.9	-78.4	0	0	0	110
497	G	28.8	Very low	29.3	Very low	74 Å²	74	162.7 Å²	162.7	76%	0.763	82%	0.819	S	S	*	*			trans	-163.5	57.4	-172.4	0	0	0	0	0	115.2
498	I	29.3	Very low	29.2	Very low	177 Å²	177	160.1 Å²	160.1	91%	0.908	81%	0.813	S	S	*	*			trans	-111.5	-0.9	-178.3	-68.2	173.9	0	0	0	113.3
499	A	27.2	Very low	28.8	Very low	86 Å²	86	156.3 Å²	156.3	71%	0.711	80%	0.802	S	S	*	*	S	Bend	trans	-128.1	89.6	177.2	0	0	0	0	0	110.6
500	L	28.9	Very low	28.4	Very low	136 Å²	136	158.2 Å²	158.2	71%	0.712	80%	0.801	S	S	*	*			trans	172.4	75.2	146.1	-106.4	114	0	0	0	108	L502 C503	L500-L502 VanDerWaalsContact C-N 3.28Å; L500-C503 HydrophobicContact CD2-CB 4.07Å
501	W	25.6	Very low	28.2	Very low	260 Å²	260	158.1 Å²	158.1	99%	0.985	80%	0.796	S	S	*	*	S	Bend	trans	-93.9	22.9	177.5	-133	63.8	0	0	0	112.2
502	L	29.7	Very low	28.4	Very low	171 Å²	171	153.3 Å²	153.3	90%	0.895	79%	0.787	S	S	*	*	S	Bend	trans	-131.5	-12.6	-173.5	-86.3	160.9	0	0	0	115.4	L500	L500-L502 VanDerWaalsContact C-N 3.28Å
503	C	28.2	Very low	28.7	Very low	73 Å²	73	150.7 Å²	150.7	49%	0.493	78%	0.78	S	S	.	*	S	Bend	trans	-124.9	125.1	173.2	-72.9	0	0	0	0	108.1	L500 C505	L500-C503 HydrophobicContact CD2-CB 4.07Å; C503-C505 PolarHBondContact O-N 2.94Å
504	G	27.4	Very low	29.3	Very low	91 Å²	91	145.7 Å²	145.7	94%	0.938	77%	0.768	S	S	*	*			trans	-67.1	51	178.6	0	0	0	0	0	114.1
505	C	29.4	Very low	29.7	Very low	86 Å²	86	143.9 Å²	143.9	58%	0.581	74%	0.744	S	S	*	*			trans	-92	117.2	179.9	-61.4	0	0	0	0	109.8	C503 F507	C503-C505 PolarHBondContact O-N 2.94Å; C505-F507 PolarHBondContact O-N 2.75Å
506	I	26.7	Very low	30.2	Very low	148 Å²	148	134.2 Å²	134.2	76%	0.759	72%	0.715	S	S	*	*			trans	-84.8	104.3	163.5	-64.8	171.4	0	0	0	106.9	I508	I506-I508 HydrophobicContact CG2-CD1 4.33Å; I506-I508 HydrophobicContact CG2-CG1 4.04Å
507	F	25.1	Very low	30.8	Very low	190 Å²	190	133.4 Å²	133.4	83%	0.833	71%	0.706	S	S	*	*			trans	-81.6	122.7	170.1	-110.4	-97.5	0	0	0	109.3	C505	C505-F507 PolarHBondContact O-N 2.75Å
508	I	32.3	Very low	31.4	Very low	133 Å²	133	133.3 Å²	133.3	68%	0.682	69%	0.69	S	S	*	*			trans	-118.1	94.3	167	-58.4	175.1	0	0	0	107	I506 F511	I506-I508 HydrophobicContact CG2-CD1 4.33Å; I506-I508 HydrophobicContact CG2-CG1 4.04Å; I508-F511 HydrophobicContact CG2-CD2 4.28Å
509	D	26.2	Very low	32	Very low	124 Å²	124	128 Å²	128	66%	0.663	67%	0.665	S	S	*	*			trans	-88.7	149.2	174.8	-166.6	17.9	0	0	0	111
510	R	27	Very low	32.6	Very low	218 Å²	218	128 Å²	128	82%	0.823	65%	0.652	S	S	*	*			trans	46.5	91.3	171.7	-75.3	179.8	175.2	-173.6	-0.9	117
511	F	28.8	Very low	33.4	Very low	148 Å²	148	124.6 Å²	124.6	65%	0.649	64%	0.64	S	S	*	*			trans	-126.8	130.8	153.4	-88.7	-71.6	0	0	0	114	I508 S515	I508-F511 HydrophobicContact CG2-CD2 4.28Å; F511-S515 WeakPolarHBondContact CD1-OG 3.44Å
512	N	30.4	Very low	34.3	Very low	128 Å²	128	121 Å²	121	68%	0.684	63%	0.626	S	S	*	*			trans	-57.7	148	177.8	-142.9	-15.8	0	0	0	111.1	T514 S515	N512-T514 PolarHBondContact O-N 2.97Å; N512-S515 PolarHBondContact O-N 3.48Å; N512-S515 PolarHBondContact O-OG 3.48Å
513	K	38.1	Very low	34.9	Very low	156 Å²	156	117 Å²	117	68%	0.678	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-18.2	-170	-82.3	179.8	176.3	175.9	0	115.7	S516	K513-S516 PolarHBondContact O-OG 3.21Å
514	T	40.6	Very low	35.9	Very low	113 Å²	113	117.7 Å²	117.7	69%	0.693	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-30.1	-178.9	40.4	0	0	0	0	113.9	N512 T518	N512-T514 PolarHBondContact O-N 2.97Å; T514-T518 PolarHBondContact O-OG1 3.08Å
515	S	39.9	Very low	36.9	Very low	32 Å²	32	115.5 Å²	115.5	22%	0.224	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-24.6	-179.9	51	0	0	0	0	113.4	F511 N512 R517 T518 V519	F511-S515 WeakPolarHBondContact CD1-OG 3.44Å; N512-S515 PolarHBondContact O-N 3.48Å; N512-S515 PolarHBondContact O-OG 3.48Å; S515-R517 VanDerWaalsContact C-N 3.26Å; S515-R517 PolarHBondContact O-N 2.92Å; S515-T518 PolarHBondContact O-N 3.18Å; S515-T518 VanDerWaalsContact O-N 3.16Å; S515-V519 WeakPolarHBondContact O-CG2 3.48Å; S515-V519 PolarHBondContact O-N 3.21Å; S515-V519 VanDerWaalsContact O-N 3.08Å
516	S	37.8	Very low	37.8	Very low	52 Å²	52	115.6 Å²	115.6	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-61.6	-33.5	175.1	63.9	0	0	0	0	112.6	K513 M520	K513-S516 PolarHBondContact O-OG 3.21Å; S516-M520 VanDerWaalsContact O-CB 3.25Å; S516-M520 WeakPolarHBondContact O-CB 3.27Å; S516-M520 VanDerWaalsContact O-CG 3.29Å; S516-M520 WeakPolarHBondContact O-CG 3.33Å; S516-M520 PolarHBondContact O-N 2.94Å
517	R	39.5	Very low	38.5	Very low	206 Å²	206	110.3 Å²	110.3	78%	0.777	55%	0.545	S	S	*	.	H	α-helix	trans	-66.7	-35.1	175.4	-76.3	-176.9	167.3	170.8	-2.1	112.8	S515 S521	S515-R517 VanDerWaalsContact C-N 3.26Å; S515-R517 PolarHBondContact O-N 2.92Å; R517-S521 VanDerWaalsContact O-CB 3.3Å; R517-S521 WeakPolarHBondContact O-CB 3.36Å; R517-S521 PolarHBondContact O-N 3.49Å; R517-S521 PolarHBondContact O-OG 2.96Å
518	T	41.9	Very low	39.3	Very low	71 Å²	71	109.4 Å²	109.4	44%	0.436	54%	0.54	S	S	.	.	H	α-helix	trans	-78.5	-33.7	-179.7	-24.6	0	0	0	0	111.9	T514 S515 S521 R522	T514-T518 PolarHBondContact O-OG1 3.08Å; S515-T518 PolarHBondContact O-N 3.18Å; S515-T518 VanDerWaalsContact O-N 3.16Å; T518-S521 WeakPolarHBondContact CA-OG 3.36Å; T518-S521 PolarHBondContact O-OG 2.96Å; T518-R522 WeakPolarHBondContact O-CB 3.17Å; T518-R522 VanDerWaalsContact O-CG 3.31Å; T518-R522 WeakPolarHBondContact O-CG 3.49Å; T518-R522 PolarHBondContact O-N 3.41Å; T518-R522 VanDerWaalsContact O-N 3.13Å
519	V	40.9	Very low	39.6	Very low	65 Å²	65	112.3 Å²	112.3	39%	0.394	54%	0.543	S	S	.	.	H	α-helix	trans	-73.3	-44.7	174.5	177.1	0	0	0	0	110.2	S515 S521 R522 I523	S515-V519 WeakPolarHBondContact O-CG2 3.48Å; S515-V519 PolarHBondContact O-N 3.21Å; S515-V519 VanDerWaalsContact O-N 3.08Å; V519-S521 VanDerWaalsContact C-N 3.34Å; V519-S521 PolarHBondContact O-N 3.33Å; V519-R522 PolarHBondContact O-N 3.3Å; V519-I523 HydrophobicContact CG1-CD1 3.85Å; V519-I523 HydrophobicContact CG1-CG1 4.47Å; V519-I523 VanDerWaalsContact O-CG1 3.31Å; V519-I523 WeakPolarHBondContact O-CG1 3.34Å; V519-I523 PolarHBondContact O-N 2.97Å
520	M	39.3	Very low	40.3	Very low	88 Å²	88	111.7 Å²	111.7	43%	0.433	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-39.7	173.7	-77.3	-69.2	-81.5	0	0	112.2	V462 S516 R522 I523 I524	V462-M520 HydrophobicContact CG1-CE 4.32Å; S516-M520 VanDerWaalsContact O-CB 3.25Å; S516-M520 WeakPolarHBondContact O-CB 3.27Å; S516-M520 VanDerWaalsContact O-CG 3.29Å; S516-M520 WeakPolarHBondContact O-CG 3.33Å; S516-M520 PolarHBondContact O-N 2.94Å; M520-R522 VanDerWaalsContact C-N 3.34Å; M520-R522 PolarHBondContact O-N 3.39Å; M520-I523 PolarHBondContact O-N 3.04Å; M520-I524 WeakPolarHBondContact O-CB 3.38Å; M520-I524 WeakPolarHBondContact O-CD1 3.38Å; M520-I524 WeakPolarHBondContact O-CG1 3.35Å; M520-I524 PolarHBondContact O-N 2.81Å
521	S	46.2	Very low	40.9	Very low	64 Å²	64	108.8 Å²	108.8	45%	0.448	53%	0.533	S	S	.	.	H	α-helix	trans	-67.5	-33.1	175.8	68.9	0	0	0	0	112.9	R517 T518 V519 A525	R517-S521 VanDerWaalsContact O-CB 3.3Å; R517-S521 WeakPolarHBondContact O-CB 3.36Å; R517-S521 PolarHBondContact O-N 3.49Å; R517-S521 PolarHBondContact O-OG 2.96Å; T518-S521 WeakPolarHBondContact CA-OG 3.36Å; T518-S521 PolarHBondContact O-OG 2.96Å; V519-S521 VanDerWaalsContact C-N 3.34Å; V519-S521 PolarHBondContact O-N 3.33Å; S521-A525 WeakPolarHBondContact O-CB 3.43Å; S521-A525 PolarHBondContact O-N 3.43Å
522	R	45.5	Very low	41.1	Very low	183 Å²	183	105.1 Å²	105.1	69%	0.691	52%	0.519	S	S	*	.	H	α-helix	trans	-70.3	-40	172.9	-77.9	176.9	179.7	178.9	0.6	112.5	T518 V519 M520 A525 N526	T518-R522 WeakPolarHBondContact O-CB 3.17Å; T518-R522 VanDerWaalsContact O-CG 3.31Å; T518-R522 WeakPolarHBondContact O-CG 3.49Å; T518-R522 PolarHBondContact O-N 3.41Å; T518-R522 VanDerWaalsContact O-N 3.13Å; V519-R522 PolarHBondContact O-N 3.3Å; M520-R522 VanDerWaalsContact C-N 3.34Å; M520-R522 PolarHBondContact O-N 3.39Å; R522-A525 PolarHBondContact O-N 2.73Å; R522-N526 PolarHBondContact O-N 3.39Å
523	I	42	Very low	41.2	Very low	88 Å²	88	103.6 Å²	103.6	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-47.8	174.6	-67.3	166.9	0	0	0	109.7	V519 M520 A525 N526 V527	V519-I523 HydrophobicContact CG1-CD1 3.85Å; V519-I523 HydrophobicContact CG1-CG1 4.47Å; V519-I523 VanDerWaalsContact O-CG1 3.31Å; V519-I523 WeakPolarHBondContact O-CG1 3.34Å; V519-I523 PolarHBondContact O-N 2.97Å; M520-I523 PolarHBondContact O-N 3.04Å; I523-A525 VanDerWaalsContact C-N 3.3Å; I523-A525 PolarHBondContact O-N 3.48Å; I523-N526 PolarHBondContact O-N 2.99Å; I523-N526 VanDerWaalsContact O-N 3.15Å; I523-V527 HydrophobicContact CG2-CG2 4.35Å; I523-V527 WeakPolarHBondContact O-CB 3.46Å; I523-V527 VanDerWaalsContact O-CG2 3.23Å; I523-V527 WeakPolarHBondContact O-CG2 3.28Å; I523-V527 PolarHBondContact O-N 2.97Å
524	I	48.1	Very low	40.9	Very low	87 Å²	87	98.8 Å²	98.8	45%	0.446	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-37.4	175.7	-67.3	164.1	0	0	0	111.3	M520 V527 K528	M520-I524 WeakPolarHBondContact O-CB 3.38Å; M520-I524 WeakPolarHBondContact O-CD1 3.38Å; M520-I524 WeakPolarHBondContact O-CG1 3.35Å; M520-I524 PolarHBondContact O-N 2.81Å; I524-V527 PolarHBondContact O-N 3.07Å; I524-K528 WeakPolarHBondContact O-CB 3.49Å; I524-K528 WeakPolarHBondContact O-CG 3.34Å; I524-K528 PolarHBondContact O-N 2.77Å
525	A	48.9	Very low	40.4	Very low	45 Å²	45	98.8 Å²	98.8	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-37	175.4	0	0	0	0	0	112.8	S521 R522 I523 R529	S521-A525 WeakPolarHBondContact O-CB 3.43Å; S521-A525 PolarHBondContact O-N 3.43Å; R522-A525 PolarHBondContact O-N 2.73Å; I523-A525 VanDerWaalsContact C-N 3.3Å; I523-A525 PolarHBondContact O-N 3.48Å; A525-R529 PolarHBondContact O-N 3.19Å
526	N	47.7	Very low	39.8	Very low	89 Å²	89	102.2 Å²	102.2	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-71.7	-37.3	174	-102	-0.8	0	0	0	112.3	R522 I523 R529 N530	R522-N526 PolarHBondContact O-N 3.39Å; I523-N526 PolarHBondContact O-N 2.99Å; I523-N526 VanDerWaalsContact O-N 3.15Å; N526-R529 PolarHBondContact O-N 3.41Å; N526-N530 PolarHBondContact O-N 3.42Å
527	V	42	Very low	39.6	Very low	37 Å²	37	102 Å²	102	22%	0.224	51%	0.513	C	S	.	.	H	α-helix	trans	-63.3	-43.3	172.9	168.9	0	0	0	0	110.8	I523 I524 R529 N530 K531 V534	I523-V527 HydrophobicContact CG2-CG2 4.35Å; I523-V527 WeakPolarHBondContact O-CB 3.46Å; I523-V527 VanDerWaalsContact O-CG2 3.23Å; I523-V527 WeakPolarHBondContact O-CG2 3.28Å; I523-V527 PolarHBondContact O-N 2.97Å; I524-V527 PolarHBondContact O-N 3.07Å; V527-R529 VanDerWaalsContact C-N 3.34Å; V527-R529 PolarHBondContact O-N 3.36Å; V527-N530 PolarHBondContact O-N 3.4Å; V527-K531 PolarHBondContact O-N 3.36Å; V527-K531 VanDerWaalsContact O-N 3.13Å; V527-V534 HydrophobicContact CG1-CG2 3.51Å
528	K	42.6	Very low	39.2	Very low	170 Å²	170	98 Å²	98	74%	0.739	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-35	173.3	-81.5	-172.5	174.8	-171.8	0	113.1	I524	I524-K528 WeakPolarHBondContact O-CB 3.49Å; I524-K528 WeakPolarHBondContact O-CG 3.34Å; I524-K528 PolarHBondContact O-N 2.77Å
529	R	38.7	Very low	38.8	Very low	194 Å²	194	101.3 Å²	101.3	73%	0.732	52%	0.52	S	S	*	.	H	α-helix	trans	-67.6	-35.1	174.4	-85.6	-180	-177.3	154.2	-0.8	112.7	A525 N526 V527	A525-R529 PolarHBondContact O-N 3.19Å; N526-R529 PolarHBondContact O-N 3.41Å; V527-R529 VanDerWaalsContact C-N 3.34Å; V527-R529 PolarHBondContact O-N 3.36Å
530	N	40.5	Very low	38.5	Very low	111 Å²	111	102.1 Å²	102.1	59%	0.594	53%	0.528	S	S	*	.	H	α-helix	trans	-96.5	2.5	-173.5	-67	-6.1	0	0	0	114.3	N526 V527 I532	N526-N530 PolarHBondContact O-N 3.42Å; V527-N530 PolarHBondContact O-N 3.4Å; N530-I532 HydrophobicContact CB-CD1 4.12Å; N530-I532 HydrophobicContact CB-CG1 4.1Å; N530-I532 PolarHBondContact O-N 3.3Å; N530-I532 VanDerWaalsContact O-N 3.14Å
531	K	39.9	Very low	38.2	Very low	157 Å²	157	101.7 Å²	101.7	68%	0.683	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.7	178.4	-68.2	-170.6	170.9	-164.4	0	114.2	V527	V527-K531 PolarHBondContact O-N 3.36Å; V527-K531 VanDerWaalsContact O-N 3.13Å
532	I	33.7	Very low	37.5	Very low	72 Å²	72	106.6 Å²	106.6	37%	0.369	54%	0.544	S	S	.	.			trans	-79.8	126.9	174.9	-57	170.2	0	0	0	107.5	N530 V534	N530-I532 HydrophobicContact CB-CD1 4.12Å; N530-I532 HydrophobicContact CB-CG1 4.1Å; N530-I532 PolarHBondContact O-N 3.3Å; N530-I532 VanDerWaalsContact O-N 3.14Å; I532-V534 PolarHBondContact O-N 2.99Å
533	P	31.3	Very low	37.1	Very low	96 Å²	96	109.8 Å²	109.8	62%	0.623	56%	0.556	S	S	*	*			trans	-66	120.6	172.8	27.4	-31.4	0	0	0	108.8
534	V	31.9	Very low	36.8	Very low	55 Å²	55	109.9 Å²	109.9	33%	0.333	56%	0.564	S	S	.	*			trans	-116.5	125.6	174.7	-179.4	0	0	0	0	107.7	I460 V527 I532 P536	I460-V534 HydrophobicContact CB-CG1 4.47Å; I460-V534 HydrophobicContact CD1-CG2 4.39Å; V527-V534 HydrophobicContact CG1-CG2 3.51Å; I532-V534 PolarHBondContact O-N 2.99Å; V534-P536 VanDerWaalsContact O-CD 3.23Å; V534-P536 WeakPolarHBondContact O-CD 3.26Å
535	L	29.4	Very low	35.9	Very low	112 Å²	112	114 Å²	114	59%	0.586	58%	0.579	S	S	*	*			trans	-94.2	102.2	169.4	-86.7	154.6	0	0	0	108.5	V459 V537	V459-L535 HydrophobicContact CG1-CB 4.21Å; V459-L535 HydrophobicContact CG1-CD1 4.32Å; V459-L535 HydrophobicContact CG2-CD1 4.26Å; L535-V537 PolarHBondContact O-N 2.91Å
536	P	29.3	Very low	35	Very low	105 Å²	105	122.3 Å²	122.3	68%	0.682	60%	0.603	S	S	*	*			trans	-78.9	101.3	175	31.1	-31.8	0	0	0	109.7	V534	V534-P536 VanDerWaalsContact O-CD 3.23Å; V534-P536 WeakPolarHBondContact O-CD 3.26Å
537	V	32.1	Very low	34.1	Very low	47 Å²	47	122.2 Å²	122.2	29%	0.285	61%	0.609	S	S	.	*			trans	-90.3	116	167.4	-174.5	0	0	0	0	108.5	L535 F539	L535-V537 PolarHBondContact O-N 2.91Å; V537-F539 HydrophobicContact CB-CE2 4.44Å; V537-F539 HydrophobicContact CG1-CD2 4.05Å; V537-F539 HydrophobicContact CG1-CE2 3.49Å; V537-F539 VanDerWaalsContact CG1-CE2 3.49Å; V537-F539 HydrophobicContact CG1-CZ 3.79Å
538	V	31.8	Very low	33.5	Very low	123 Å²	123	129.4 Å²	129.4	75%	0.745	64%	0.637	S	S	*	*			trans	-104	110	178.5	-178.6	0	0	0	0	109.2
539	F	32.3	Very low	32.8	Very low	140 Å²	140	129.9 Å²	129.9	61%	0.614	64%	0.639	S	S	*	*			trans	-88.9	126	166.9	-67.1	-80.5	0	0	0	109.4	V537	V537-F539 HydrophobicContact CB-CE2 4.44Å; V537-F539 HydrophobicContact CG1-CD2 4.05Å; V537-F539 HydrophobicContact CG1-CE2 3.49Å; V537-F539 VanDerWaalsContact CG1-CE2 3.49Å; V537-F539 HydrophobicContact CG1-CZ 3.79Å
540	S	34.6	Very low	32.2	Very low	81 Å²	81	129.8 Å²	129.8	57%	0.566	65%	0.647	S	S	*	*			trans	-123.7	106.7	178	150.8	0	0	0	0	109.7	Y542	S540-Y542 PolarHBondContact O-N 3.37Å
541	S	34.2	Very low	31.6	Very low	80 Å²	80	134.7 Å²	134.7	56%	0.559	66%	0.658	S	S	*	*			trans	-88.3	56.4	177.9	64.5	0	0	0	0	112.2
542	Y	31.3	Very low	31	Very low	167 Å²	167	137.8 Å²	137.8	66%	0.655	67%	0.665	S	S	*	*			trans	-146.6	120.7	170.4	-92.5	-77.5	0	0	0	113.6	S540 S544	S540-Y542 PolarHBondContact O-N 3.37Å; Y542-S544 PolarHBondContact O-N 2.87Å
543	R	37.1	Very low	30.7	Very low	249 Å²	249	143.8 Å²	143.8	94%	0.94	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-1.1	174.4	-131.5	175.2	-175.3	173.9	1.5	114
544	S	34.7	Very low	30.4	Very low	90 Å²	90	145.1 Å²	145.1	63%	0.629	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-0.7	-169.8	55.7	0	0	0	0	115.6	Y542 Y546	Y542-S544 PolarHBondContact O-N 2.87Å; S544-Y546 VanDerWaalsContact C-N 3.35Å
545	F	29.8	Very low	30.2	Very low	173 Å²	173	149.5 Å²	149.5	76%	0.759	71%	0.712	S	S	*	*			trans	-88.6	7	179.2	-109.9	-87.2	0	0	0	114.9	S547	F545-S547 PolarHBondContact O-N 3.15Å
546	Y	30.5	Very low	30.2	Very low	221 Å²	221	151.6 Å²	151.6	87%	0.867	72%	0.724	S	S	*	*			trans	-76	59.3	172.2	-82.4	-84.2	0	0	0	111.9	S544	S544-Y546 VanDerWaalsContact C-N 3.35Å
547	S	29.2	Very low	30.2	Very low	87 Å²	87	150.2 Å²	150.2	61%	0.608	73%	0.728	S	S	*	*	S	Bend	trans	-171.3	114.6	168.1	179.3	0	0	0	0	109.4	F545	F545-S547 PolarHBondContact O-N 3.15Å
548	K	28	Very low	30.1	Very low	187 Å²	187	153.8 Å²	153.8	81%	0.813	75%	0.75	S	S	*	*	S	Bend	trans	95.5	102.4	170.7	-61.1	169.9	176.4	170.5	0	117.4
549	K	28.7	Very low	30.1	Very low	180 Å²	180	152.4 Å²	152.4	78%	0.783	74%	0.737	S	S	*	*			trans	87.4	91.8	135.4	-66.2	-179.2	175.8	-176.5	0	117	R551	K549-R551 PolarHBondContact O-N 3.33Å; K549-R551 VanDerWaalsContact O-N 3.15Å
550	E	26.5	Very low	30	Very low	192 Å²	192	153.3 Å²	153.3	90%	0.897	75%	0.747	S	S	*	*			trans	-31	112	136.6	-66.3	175.6	154.1	0	0	110.8
551	R	28.1	Very low	30	Very low	215 Å²	215	153.4 Å²	153.4	81%	0.811	74%	0.744	S	S	*	*			trans	-115	104.4	157.4	-82.8	-172.1	171.9	-179.5	-2	106.8	K549 F553	K549-R551 PolarHBondContact O-N 3.33Å; K549-R551 VanDerWaalsContact O-N 3.15Å; R551-F553 PolarHBondContact O-N 3.37Å
552	R	25.6	Very low	29.7	Very low	222 Å²	222	157.6 Å²	157.6	84%	0.838	76%	0.755	S	S	*	*			trans	-47.9	114.1	169.4	-69.6	177.3	178	171.4	-2.8	109.3
553	F	27.7	Very low	29.9	Very low	197 Å²	197	155.6 Å²	155.6	86%	0.864	76%	0.76	S	S	*	*			trans	-97.8	101.8	154.1	-87.7	-84.9	0	0	0	105.7	R551	R551-F553 PolarHBondContact O-N 3.37Å
554	D	26.6	Very low	29.8	Very low	125 Å²	125	149 Å²	149	67%	0.668	74%	0.743	S	S	*	*			trans	-64.7	137.3	173.3	-68.1	-35.6	0	0	0	109.3
555	N	26.9	Very low	30	Very low	146 Å²	146	149.7 Å²	149.7	78%	0.781	75%	0.745	S	S	*	*	S	Bend	trans	70.1	79.4	165.9	-50	-27.5	0	0	0	116
556	D	28.7	Very low	30.6	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	75%	0.746	S	S	*	*	S	Bend	trans	158.7	125	132.8	-77.9	-23.1	0	0	0	109.9
557	G	29.9	Very low	31.4	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	72%	0.723	S	S	*	*			trans	24.5	105.5	170.3	0	0	0	0	0	119.8
558	V	31	Very low	32	Very low	122 Å²	122	144.3 Å²	144.3	74%	0.739	73%	0.732	S	S	*	*			trans	-116.2	123.5	163.1	-179	0	0	0	0	109.1
559	I	31.7	Very low	33	Very low	94 Å²	94	139.8 Å²	139.8	48%	0.482	72%	0.721	S	S	.	*			trans	-109.9	132.2	163.8	-62.2	175.2	0	0	0	106.9	A599	I559-A599 HydrophobicContact CD1-CB 4.25Å
560	I	29.2	Very low	33.6	Very low	159 Å²	159	137.5 Å²	137.5	82%	0.815	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-79.8	129	180	-62.5	168.4	0	0	0	107.9
561	V	34.2	Very low	34.8	Very low	84 Å²	84	132 Å²	132	51%	0.509	72%	0.717	S	S	.	*	P	Polyproline II helix	trans	-103.5	128	-178.8	178.9	0	0	0	0	110
562	E	29	Very low	35.5	Very low	168 Å²	168	126.2 Å²	126.2	79%	0.785	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-69.3	135.2	172.7	-145.8	178	-167.1	0	0	110.4
563	V	35	Very low	36.4	Very low	125 Å²	125	122.5 Å²	122.5	76%	0.758	69%	0.694	S	S	*	*			trans	-89.3	112	-178.8	179	0	0	0	0	109
564	L	36.1	Very low	37.3	Very low	111 Å²	111	121.4 Å²	121.4	58%	0.581	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.8	139	169.9	-72	170.3	0	0	0	110.5
565	P	37.5	Very low	38.3	Very low	104 Å²	104	123.3 Å²	123.3	68%	0.675	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-65	147.4	173.8	26.4	-32.3	0	0	0	111.1
566	P	42.9	Very low	39.4	Very low	121 Å²	121	119.6 Å²	119.6	79%	0.786	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-62.5	137.8	177.4	26.8	-33.4	0	0	0	110.7
567	I	47.1	Very low	40.2	Very low	72 Å²	72	115.6 Å²	115.6	37%	0.369	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-76.8	123.5	168.7	-59.9	171.5	0	0	0	106.9	T569 L580 V584	I567-T569 PolarHBondContact O-N 2.96Å; I567-L580 HydrophobicContact CG2-CD1 4.46Å; I567-V584 HydrophobicContact CD1-CG2 4.05Å
568	E	42.8	Very low	41	Very low	174 Å²	174	115.6 Å²	115.6	81%	0.813	64%	0.644	S	S	*	*			trans	-69	110.8	172.9	-69	-179.2	168.3	0	0	109
569	T	48.1	Very low	42	Very low	93 Å²	93	115.4 Å²	115.4	57%	0.571	64%	0.639	S	S	*	*			trans	-97.5	19	-177.5	49.8	0	0	0	0	113.4	I567 G571 L580	I567-T569 PolarHBondContact O-N 2.96Å; T569-G571 PolarHBondContact O-N 3.13Å; T569-G571 VanDerWaalsContact O-N 3.1Å; T569-L580 HydrophobicContact CG2-CD2 4.46Å
570	T	41.4	Very low	42.9	Very low	132 Å²	132	113.6 Å²	113.6	81%	0.81	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	103.7	-178.7	52.4	0	0	0	0	111.2
571	G	51	Low	43.7	Very low	77 Å²	77	107.6 Å²	107.6	79%	0.794	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	116.5	6.4	165.5	0	0	0	0	0	117.4	T569	T569-G571 PolarHBondContact O-N 3.13Å; T569-G571 VanDerWaalsContact O-N 3.1Å
572	L	44	Very low	44.4	Very low	92 Å²	92	107.7 Å²	107.7	48%	0.482	60%	0.601	S	S	.	*			trans	-82.9	135.1	-178.5	-70.2	160.1	0	0	0	112.1	D576 L580	L572-D576 HydrophobicContact CD2-CB 3.8Å; L572-D576 WeakPolarHBondContact CD2-OD2 3.37Å; L572-L580 HydrophobicContact CD1-CD1 4.4Å
573	Q	43.5	Very low	45.5	Very low	144 Å²	144	101.8 Å²	101.8	67%	0.673	58%	0.578	S	S	*	*			trans	-85.9	162.1	174.5	-66.1	-165.7	0.3	0	0	110.5	E575 D576	Q573-E575 PolarHBondContact O-N 2.69Å; Q573-D576 PolarHBondContact N-OD2 3.43Å; Q573-D576 PolarHBondContact O-N 3.38Å
574	H	46.4	Very low	46.1	Very low	175 Å²	175	98.4 Å²	98.4	81%	0.81	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-11.6	-173	-146.7	-60.5	0	0	0	114.3	V577	H574-V577 WeakPolarHBondContact O-CG2 3.42Å
575	E	47.2	Very low	46.7	Very low	164 Å²	164	100.9 Å²	100.9	77%	0.766	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-22.1	178.3	-63.7	-175.1	167.7	0	0	113.1	Q573 V577 P578	Q573-E575 PolarHBondContact O-N 2.69Å; E575-V577 VanDerWaalsContact C-N 3.31Å; E575-V577 PolarHBondContact O-N 2.77Å; E575-P578 VanDerWaalsContact O-CD 3.23Å; E575-P578 WeakPolarHBondContact O-CD 3.5Å
576	D	50.2	Low	47.5	Very low	68 Å²	68	102.3 Å²	102.3	36%	0.364	56%	0.557	S	S	.	*	S	Bend	trans	-86.8	-0.6	-179.2	-53.5	-43.4	0	0	0	113.2	L572 Q573 L580	L572-D576 HydrophobicContact CD2-CB 3.8Å; L572-D576 WeakPolarHBondContact CD2-OD2 3.37Å; Q573-D576 PolarHBondContact N-OD2 3.43Å; Q573-D576 PolarHBondContact O-N 3.38Å; D576-L580 PolarHBondContact O-N 3.09Å
577	V	45.4	Very low	47.9	Very low	74 Å²	74	102.9 Å²	102.9	45%	0.448	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-37.9	-175	-179.6	0	0	0	0	113.9	H574 E575 A581	H574-V577 WeakPolarHBondContact O-CG2 3.42Å; E575-V577 VanDerWaalsContact C-N 3.31Å; E575-V577 PolarHBondContact O-N 2.77Å; V577-A581 WeakPolarHBondContact O-CB 3.33Å; V577-A581 PolarHBondContact O-N 2.86Å; V577-A581 VanDerWaalsContact O-N 3.15Å
578	P	48.1	Very low	47.7	Very low	75 Å²	75	104.6 Å²	104.6	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-44	175.7	-17	30.5	0	0	0	112.1	E575 L580 A581 D582	E575-P578 VanDerWaalsContact O-CD 3.23Å; E575-P578 WeakPolarHBondContact O-CD 3.5Å; P578-L580 VanDerWaalsContact C-N 3.34Å; P578-L580 PolarHBondContact O-N 3.24Å; P578-A581 WeakPolarHBondContact O-CB 3.42Å; P578-A581 PolarHBondContact O-N 3.03Å; P578-A581 VanDerWaalsContact O-N 3.16Å; P578-D582 PolarHBondContact O-N 2.95Å
579	D	50.6	Low	48.1	Very low	118 Å²	118	100.3 Å²	100.3	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-67.1	-36.8	-177.7	-68.4	-6	0	0	0	111.7	D582 S583	D579-D582 PolarHBondContact O-N 3.09Å; D579-S583 PolarHBondContact O-N 3.48Å
580	L	50.6	Low	48.2	Very low	56 Å²	56	101 Å²	101	29%	0.293	53%	0.53	S	S	.	.	H	α-helix	trans	-66.4	-40.1	174.2	-160.1	77.8	0	0	0	111.4	I567 T569 L572 D576 P578 S583 V584	I567-L580 HydrophobicContact CG2-CD1 4.46Å; T569-L580 HydrophobicContact CG2-CD2 4.46Å; L572-L580 HydrophobicContact CD1-CD1 4.4Å; D576-L580 PolarHBondContact O-N 3.09Å; P578-L580 VanDerWaalsContact C-N 3.34Å; P578-L580 PolarHBondContact O-N 3.24Å; L580-S583 PolarHBondContact O-N 2.68Å; L580-S583 PolarHBondContact O-OG 3.29Å; L580-S583 VanDerWaalsContact O-OG 3.08Å; L580-V584 VanDerWaalsContact O-CG2 3.28Å; L580-V584 WeakPolarHBondContact O-CG2 3.44Å; L580-V584 PolarHBondContact O-N 2.79Å
581	A	46.1	Very low	48.6	Very low	33 Å²	33	97.3 Å²	97.3	27%	0.273	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-39	177.6	0	0	0	0	0	112	M474 V577 P578 V584 R585	M474-A581 HydrophobicContact CE-CB 4.21Å; V577-A581 WeakPolarHBondContact O-CB 3.33Å; V577-A581 PolarHBondContact O-N 2.86Å; V577-A581 VanDerWaalsContact O-N 3.15Å; P578-A581 WeakPolarHBondContact O-CB 3.42Å; P578-A581 PolarHBondContact O-N 3.03Å; P578-A581 VanDerWaalsContact O-N 3.16Å; A581-V584 PolarHBondContact O-N 3.21Å; A581-R585 VanDerWaalsContact O-CB 3.31Å; A581-R585 WeakPolarHBondContact O-CB 3.29Å; A581-R585 PolarHBondContact O-N 3.37Å
582	D	50.2	Low	48.4	Very low	85 Å²	85	98.6 Å²	98.6	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-68.6	-39.4	175.2	-75.8	-25.6	0	0	0	111.7	P578 D579 V584 R585 E586	P578-D582 PolarHBondContact O-N 2.95Å; D579-D582 PolarHBondContact O-N 3.09Å; D582-V584 VanDerWaalsContact C-N 3.32Å; D582-V584 PolarHBondContact O-N 3.05Å; D582-R585 WeakPolarHBondContact O-CB 3.14Å; D582-R585 PolarHBondContact O-N 2.97Å; D582-E586 PolarHBondContact O-N 3.32Å
583	S	51.1	Low	48.7	Very low	44 Å²	44	100.9 Å²	100.9	31%	0.308	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-34.9	175	90.2	0	0	0	0	113.2	D579 L580 R587	D579-S583 PolarHBondContact O-N 3.48Å; L580-S583 PolarHBondContact O-N 2.68Å; L580-S583 PolarHBondContact O-OG 3.29Å; L580-S583 VanDerWaalsContact O-OG 3.08Å; S583-R587 PolarHBondContact O-N 3.19Å; S583-R587 VanDerWaalsContact O-N 3.13Å
584	V	48.2	Very low	49.2	Very low	54 Å²	54	101.9 Å²	101.9	33%	0.327	50%	0.501	S	S	.	.	H	α-helix	trans	-72.3	-37.1	175.9	171.8	0	0	0	0	110.2	I567 L580 A581 D582 R587 M588	I567-V584 HydrophobicContact CD1-CG2 4.05Å; L580-V584 VanDerWaalsContact O-CG2 3.28Å; L580-V584 WeakPolarHBondContact O-CG2 3.44Å; L580-V584 PolarHBondContact O-N 2.79Å; A581-V584 PolarHBondContact O-N 3.21Å; D582-V584 VanDerWaalsContact C-N 3.32Å; D582-V584 PolarHBondContact O-N 3.05Å; V584-R587 PolarHBondContact O-N 2.95Å; V584-M588 WeakPolarHBondContact O-CB 3.27Å; V584-M588 WeakPolarHBondContact O-CG 3.2Å; V584-M588 PolarHBondContact O-N 2.97Å
585	R	48.3	Very low	49.3	Very low	164 Å²	164	96.2 Å²	96.2	62%	0.619	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-46.1	174.7	-176.6	-177.8	-180	-177.7	-0.5	111.7	A581 D582 M588 L589	A581-R585 VanDerWaalsContact O-CB 3.31Å; A581-R585 WeakPolarHBondContact O-CB 3.29Å; A581-R585 PolarHBondContact O-N 3.37Å; D582-R585 WeakPolarHBondContact O-CB 3.14Å; D582-R585 PolarHBondContact O-N 2.97Å; R585-M588 PolarHBondContact O-N 3.45Å; R585-L589 HydrophobicContact CG-CD1 4.11Å; R585-L589 WeakPolarHBondContact O-CB 3.35Å; R585-L589 WeakPolarHBondContact O-CG 3.2Å; R585-L589 PolarHBondContact O-N 3.41Å
586	E	53.8	Low	49.3	Very low	134 Å²	134	92 Å²	92	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-61	-46.1	176.2	-76.4	-174.4	164.3	0	0	111.4	D582 M588 L589 E590	D582-E586 PolarHBondContact O-N 3.32Å; E586-M588 VanDerWaalsContact C-N 3.34Å; E586-M588 PolarHBondContact O-N 3.41Å; E586-L589 PolarHBondContact O-N 3.11Å; E586-E590 PolarHBondContact O-N 2.99Å
587	R	51.5	Low	49.2	Very low	133 Å²	133	91.5 Å²	91.5	50%	0.502	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-35.8	176.2	-80.2	178.3	168.6	176.3	-0.9	113.3	S583 V584 V591	S583-R587 PolarHBondContact O-N 3.19Å; S583-R587 VanDerWaalsContact O-N 3.13Å; V584-R587 PolarHBondContact O-N 2.95Å; R587-V591 VanDerWaalsContact O-CG2 3.25Å; R587-V591 WeakPolarHBondContact O-CG2 3.47Å; R587-V591 PolarHBondContact O-N 3.31Å; R587-V591 VanDerWaalsContact O-N 3.09Å
588	M	43.6	Very low	49.1	Very low	107 Å²	107	94.3 Å²	94.3	53%	0.527	47%	0.471	S	S	.	.	H	α-helix	trans	-67.5	-39.7	173.9	-84	-170.9	172.7	0	0	111.9	V584 R585 E586 V591 L592	V584-M588 WeakPolarHBondContact O-CB 3.27Å; V584-M588 WeakPolarHBondContact O-CG 3.2Å; V584-M588 PolarHBondContact O-N 2.97Å; R585-M588 PolarHBondContact O-N 3.45Å; E586-M588 VanDerWaalsContact C-N 3.34Å; E586-M588 PolarHBondContact O-N 3.41Å; M588-V591 PolarHBondContact O-N 3.38Å; M588-L592 WeakPolarHBondContact O-CB 3.37Å; M588-L592 WeakPolarHBondContact O-CD1 3.37Å; M588-L592 VanDerWaalsContact O-CG 3.26Å; M588-L592 WeakPolarHBondContact O-CG 3.2Å; M588-L592 PolarHBondContact O-N 3.19Å
589	L	50.7	Low	48.8	Very low	84 Å²	84	92 Å²	92	44%	0.44	46%	0.458	S	S	.	.	H	α-helix	trans	-65.5	-43.6	175.3	-73.1	168.3	0	0	0	111.2	R585 E586 V591 L592 E593	R585-L589 HydrophobicContact CG-CD1 4.11Å; R585-L589 WeakPolarHBondContact O-CB 3.35Å; R585-L589 WeakPolarHBondContact O-CG 3.2Å; R585-L589 PolarHBondContact O-N 3.41Å; E586-L589 PolarHBondContact O-N 3.11Å; L589-V591 VanDerWaalsContact C-N 3.31Å; L589-V591 PolarHBondContact O-N 3.43Å; L589-L592 PolarHBondContact O-N 3Å; L589-E593 WeakPolarHBondContact O-CB 3.46Å; L589-E593 WeakPolarHBondContact O-CG 3.38Å; L589-E593 PolarHBondContact O-N 3.45Å
590	E	51	Low	48.4	Very low	108 Å²	108	93.1 Å²	93.1	51%	0.505	46%	0.46	S	S	.	.	H	α-helix	trans	-58.7	-41.5	174.2	-78.1	-172	153.9	0	0	112.4	E586 R594	E586-E590 PolarHBondContact O-N 2.99Å; E590-R594 WeakPolarHBondContact O-CG 3.21Å; E590-R594 PolarHBondContact O-N 2.88Å; E590-R594 VanDerWaalsContact O-N 3.07Å
591	V	49.9	Very low	48.1	Very low	55 Å²	55	96.8 Å²	96.8	33%	0.333	48%	0.475	S	S	.	.	H	α-helix	trans	-70.1	-40.7	178.6	171.3	0	0	0	0	110.9	R587 M588 L589 R594 I595	R587-V591 VanDerWaalsContact O-CG2 3.25Å; R587-V591 WeakPolarHBondContact O-CG2 3.47Å; R587-V591 PolarHBondContact O-N 3.31Å; R587-V591 VanDerWaalsContact O-N 3.09Å; M588-V591 PolarHBondContact O-N 3.38Å; L589-V591 VanDerWaalsContact C-N 3.31Å; L589-V591 PolarHBondContact O-N 3.43Å; V591-R594 PolarHBondContact O-N 3.28Å; V591-I595 HydrophobicContact CG1-CD1 3.67Å; V591-I595 HydrophobicContact CG1-CG1 4.45Å; V591-I595 WeakPolarHBondContact O-CD1 3.46Å; V591-I595 VanDerWaalsContact O-CG1 3.22Å; V591-I595 WeakPolarHBondContact O-CG1 3.39Å; V591-I595 PolarHBondContact O-N 3.41Å
592	L	46.6	Very low	47.8	Very low	103 Å²	103	100.8 Å²	100.8	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-43.3	175.4	-75.9	165.5	0	0	0	111.5	M588 L589 R594 I595 T596	M588-L592 WeakPolarHBondContact O-CB 3.37Å; M588-L592 WeakPolarHBondContact O-CD1 3.37Å; M588-L592 VanDerWaalsContact O-CG 3.26Å; M588-L592 WeakPolarHBondContact O-CG 3.2Å; M588-L592 PolarHBondContact O-N 3.19Å; L589-L592 PolarHBondContact O-N 3Å; L592-R594 VanDerWaalsContact C-N 3.28Å; L592-R594 PolarHBondContact O-N 2.9Å; L592-I595 PolarHBondContact O-N 2.92Å; L592-T596 WeakPolarHBondContact O-CG2 3.45Å; L592-T596 PolarHBondContact O-N 3.37Å; L592-T596 PolarHBondContact O-OG1 3.21Å
593	E	50.1	Low	47.2	Very low	141 Å²	141	105.5 Å²	105.5	66%	0.659	50%	0.502	S	S	*	.	H	α-helix	trans	-64.5	-29	176.1	-76.7	-177.3	173.6	0	0	113.1	L589 T596 P597	L589-E593 WeakPolarHBondContact O-CB 3.46Å; L589-E593 WeakPolarHBondContact O-CG 3.38Å; L589-E593 PolarHBondContact O-N 3.45Å; E593-T596 PolarHBondContact O-OG1 3.18Å; E593-P597 WeakPolarHBondContact O-CD 3.42Å
594	R	53.1	Low	46.8	Very low	164 Å²	164	106.4 Å²	106.4	62%	0.619	51%	0.512	S	S	*	.	H	α-helix	trans	-76.3	-34.2	172.3	-75.5	179.9	-170.6	-176.9	6.4	113.1	E590 V591 L592 P597	E590-R594 WeakPolarHBondContact O-CG 3.21Å; E590-R594 PolarHBondContact O-N 2.88Å; E590-R594 VanDerWaalsContact O-N 3.07Å; V591-R594 PolarHBondContact O-N 3.28Å; L592-R594 VanDerWaalsContact C-N 3.28Å; L592-R594 PolarHBondContact O-N 2.9Å; R594-P597 VanDerWaalsContact O-CD 3.29Å; R594-P597 WeakPolarHBondContact O-CD 3.49Å; R594-P597 VanDerWaalsContact O-CG 3.31Å; R594-P597 WeakPolarHBondContact O-CG 3.46Å
595	I	49.1	Very low	46.7	Very low	56 Å²	56	111.9 Å²	111.9	29%	0.287	53%	0.532	S	S	.	.	H	α-helix	trans	-76.2	-34	-178.5	-67.8	165.1	0	0	0	111.3	V591 L592 E598 A599	V591-I595 HydrophobicContact CG1-CD1 3.67Å; V591-I595 HydrophobicContact CG1-CG1 4.45Å; V591-I595 WeakPolarHBondContact O-CD1 3.46Å; V591-I595 VanDerWaalsContact O-CG1 3.22Å; V591-I595 WeakPolarHBondContact O-CG1 3.39Å; V591-I595 PolarHBondContact O-N 3.41Å; L592-I595 PolarHBondContact O-N 2.92Å; I595-E598 PolarHBondContact O-N 3.49Å; I595-A599 VanDerWaalsContact O-CB 3.28Å; I595-A599 WeakPolarHBondContact O-CB 3.49Å; I595-A599 PolarHBondContact O-N 2.64Å
596	T	48	Very low	46.1	Very low	77 Å²	77	112.6 Å²	112.6	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-54.9	-49.2	179.6	42.5	0	0	0	0	114	L592 E593 E600	L592-T596 WeakPolarHBondContact O-CG2 3.45Å; L592-T596 PolarHBondContact O-N 3.37Å; L592-T596 PolarHBondContact O-OG1 3.21Å; E593-T596 PolarHBondContact O-OG1 3.18Å; T596-E600 WeakPolarHBondContact O-CB 3.38Å; T596-E600 WeakPolarHBondContact O-CG 3.32Å; T596-E600 PolarHBondContact O-N 2.86Å
597	P	46.8	Very low	45.3	Very low	56 Å²	56	115.6 Å²	115.6	36%	0.364	55%	0.55	S	S	.	*	H	α-helix	trans	-69.9	-33.8	178.3	27.1	-35.4	0	0	0	113.2	E593 R594 Q601	E593-P597 WeakPolarHBondContact O-CD 3.42Å; R594-P597 VanDerWaalsContact O-CD 3.29Å; R594-P597 WeakPolarHBondContact O-CD 3.49Å; R594-P597 VanDerWaalsContact O-CG 3.31Å; R594-P597 WeakPolarHBondContact O-CG 3.46Å; P597-Q601 WeakPolarHBondContact O-CB 3.31Å; P597-Q601 VanDerWaalsContact O-CG 3.32Å; P597-Q601 WeakPolarHBondContact O-CG 3.49Å; P597-Q601 PolarHBondContact O-N 3.49Å
598	E	44.1	Very low	44.5	Very low	133 Å²	133	116.2 Å²	116.2	62%	0.621	58%	0.575	S	S	*	*	H	α-helix	trans	-71	-37.6	177.9	-68.2	-171.2	165.6	0	0	112	I595 Q601 M602	I595-E598 PolarHBondContact O-N 3.49Å; E598-Q601 PolarHBondContact O-N 3.05Å; E598-M602 WeakPolarHBondContact O-CB 3.47Å; E598-M602 WeakPolarHBondContact O-CG 3.35Å; E598-M602 PolarHBondContact O-N 3.11Å
599	A	41.6	Very low	44.5	Very low	26 Å²	26	116.7 Å²	116.7	22%	0.215	58%	0.577	C	S	.	*	H	α-helix	trans	-67.2	-40.6	174.4	0	0	0	0	0	111.6	I559 I595 M602 Y603	I559-A599 HydrophobicContact CD1-CB 4.25Å; I595-A599 VanDerWaalsContact O-CB 3.28Å; I595-A599 WeakPolarHBondContact O-CB 3.49Å; I595-A599 PolarHBondContact O-N 2.64Å; A599-M602 PolarHBondContact O-N 3.5Å; A599-Y603 WeakPolarHBondContact O-CB 3.43Å; A599-Y603 PolarHBondContact O-N 2.85Å
600	E	41.5	Very low	44.2	Very low	143 Å²	143	118.4 Å²	118.4	67%	0.668	58%	0.584	S	S	*	*	H	α-helix	trans	-64	-41.8	174.3	-76.7	-179	171.6	0	0	112.2	T596 Y603 A604	T596-E600 WeakPolarHBondContact O-CB 3.38Å; T596-E600 WeakPolarHBondContact O-CG 3.32Å; T596-E600 PolarHBondContact O-N 2.86Å; E600-Y603 PolarHBondContact O-N 3.13Å; E600-A604 WeakPolarHBondContact O-CB 3.46Å; E600-A604 PolarHBondContact O-N 3Å
601	Q	45.4	Very low	43.8	Very low	133 Å²	133	118.9 Å²	118.9	62%	0.621	59%	0.589	S	S	*	*	H	α-helix	trans	-64.9	-38.9	175.4	-76.5	-178.7	13.8	0	0	112.8	P597 E598 A604 K605	P597-Q601 WeakPolarHBondContact O-CB 3.31Å; P597-Q601 VanDerWaalsContact O-CG 3.32Å; P597-Q601 WeakPolarHBondContact O-CG 3.49Å; P597-Q601 PolarHBondContact O-N 3.49Å; E598-Q601 PolarHBondContact O-N 3.05Å; Q601-A604 PolarHBondContact O-N 3.04Å; Q601-K605 PolarHBondContact O-N 2.61Å
602	M	38.9	Very low	43.5	Very low	116 Å²	116	122.7 Å²	122.7	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-68.4	-38.2	175.5	-79.9	-110.7	-83.4	0	0	112.4	E598 A599 K606	E598-M602 WeakPolarHBondContact O-CB 3.47Å; E598-M602 WeakPolarHBondContact O-CG 3.35Å; E598-M602 PolarHBondContact O-N 3.11Å; A599-M602 PolarHBondContact O-N 3.5Å; M602-K606 PolarHBondContact O-N 3.23Å
603	Y	37.9	Very low	43.3	Very low	185 Å²	185	123.9 Å²	123.9	73%	0.725	61%	0.608	S	S	*	*	H	α-helix	trans	-68	-36.1	173.5	-101.6	-89.4	0	0	0	112.4	A599 E600 K606 K607	A599-Y603 WeakPolarHBondContact O-CB 3.43Å; A599-Y603 PolarHBondContact O-N 2.85Å; E600-Y603 PolarHBondContact O-N 3.13Å; Y603-K606 PolarHBondContact O-N 3.22Å; Y603-K607 PolarHBondContact O-N 3.25Å
604	A	43.5	Very low	42.8	Very low	62 Å²	62	122.8 Å²	122.8	51%	0.512	61%	0.605	S	S	.	*	H	α-helix	trans	-65.7	-43.3	175	0	0	0	0	0	112.1	E600 Q601 K606 K607 S608	E600-A604 WeakPolarHBondContact O-CB 3.46Å; E600-A604 PolarHBondContact O-N 3Å; Q601-A604 PolarHBondContact O-N 3.04Å; A604-K606 VanDerWaalsContact C-N 3.26Å; A604-K606 PolarHBondContact O-N 3.3Å; A604-K607 PolarHBondContact O-N 3.25Å; A604-S608 PolarHBondContact O-N 3.03Å
605	K	45.4	Very low	42.1	Very low	170 Å²	170	119.9 Å²	119.9	74%	0.739	60%	0.604	S	S	*	*	H	α-helix	trans	-65.8	-21.7	176.3	-90	-178.8	176.8	172.3	0	114.8	Q601 S608	Q601-K605 PolarHBondContact O-N 2.61Å; K605-S608 PolarHBondContact O-OG 2.82Å; K605-S608 VanDerWaalsContact O-OG 3.12Å
606	K	36	Very low	41.5	Very low	179 Å²	179	124.8 Å²	124.8	78%	0.778	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-14	175.9	-109	-179.2	176.9	179.6	0	113.5	M602 Y603 A604	M602-K606 PolarHBondContact O-N 3.23Å; Y603-K606 PolarHBondContact O-N 3.22Å; A604-K606 VanDerWaalsContact C-N 3.26Å; A604-K606 PolarHBondContact O-N 3.3Å
607	K	36.2	Very low	41	Very low	196 Å²	196	128.8 Å²	128.8	85%	0.852	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-18.8	178.2	-104.2	-178.9	175.4	177.7	0	113.3	Y603 A604	Y603-K607 PolarHBondContact O-N 3.25Å; A604-K607 PolarHBondContact O-N 3.25Å
608	S	34.8	Very low	40.5	Very low	146 Å²	146	135.4 Å²	135.4	100%	1.021	67%	0.666	S	S	*	*			trans	-83.2	0	162.1	61.3	0	0	0	0	110.5	A604 K605	A604-S608 PolarHBondContact O-N 3.03Å; K605-S608 PolarHBondContact O-OG 2.82Å; K605-S608 VanDerWaalsContact O-OG 3.12Å

Retrieved 608 of 608 residues in 832.6 ms (Link to these results)

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