A0A068BFW3_MOUSE Loading...

Putative MHC class II antigen E beta 1 isoform 1

AlphaFold DB , UniProt , Accession A0A068BFW3, Species MOUSE (Mus musculus, Mouse), Gene H2-Eb1, Length 225 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	36.4	Very low	49.3	Very low	247 Å²	247	147.3 Å²	147.3	100%	1.217	76%	0.755	S	S	*	*				0	98.6	0	-80.8	164.7	176.8	0	0	108
2	M	33.9	Very low	50.2	Low	184 Å²	184	138.8 Å²	138.8	91%	0.906	72%	0.723	S	S	*	*			trans	-113.4	113	165.9	-96	169.8	64.6	0	0	106.7
3	W	32.6	Very low	51.1	Low	254 Å²	254	134.6 Å²	134.6	96%	0.962	71%	0.707	S	S	*	*			trans	-90.6	109.5	179	-145.8	42.2	0	0	0	106.4
4	L	36.6	Very low	51.8	Low	153 Å²	153	132.2 Å²	132.2	80%	0.801	69%	0.693	S	S	*	*			trans	-90.3	116.8	167.7	-82.7	157.7	0	0	0	107	R6	L4-R6 PolarHBondContact O-N 2.94Å
5	P	46.9	Very low	52.2	Low	101 Å²	101	130.8 Å²	130.8	66%	0.656	69%	0.686	S	S	*	*			trans	-67.7	126.2	178.3	27.9	-29.8	0	0	0	108.2	V7	P5-V7 PolarHBondContact O-N 3.28Å
6	R	55.4	Low	52.6	Low	245 Å²	245	129.1 Å²	129.1	93%	0.925	68%	0.677	S	S	*	*			trans	-66.1	96.4	171	-80.7	178.4	165.4	155.8	-4.5	108.1	L4 P8	L4-R6 PolarHBondContact O-N 2.94Å; R6-P8 WeakPolarHBondContact O-CD 3.42Å
7	V	56.8	Low	52.9	Low	100 Å²	100	127.9 Å²	127.9	61%	0.606	67%	0.671	S	S	*	*			trans	-64.9	121.6	167.7	-177.8	0	0	0	0	107	P5 A11	P5-V7 PolarHBondContact O-N 3.28Å; V7-A11 HydrophobicContact CG1-CB 3.73Å
8	P	64	Low	53.3	Low	88 Å²	88	125.9 Å²	125.9	57%	0.571	67%	0.665	S	S	*	*			trans	-59.4	140	-177.6	-20.4	30.2	0	0	0	110.9	R6 V10 A11	R6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-V10 PolarHBondContact O-N 3.3Å; P8-A11 WeakPolarHBondContact O-CB 3.34Å; P8-A11 PolarHBondContact O-N 3.03Å
9	C	60.3	Low	53.7	Low	109 Å²	109	125.4 Å²	125.4	74%	0.736	67%	0.667	S	S	*	*	H	α-helix	trans	-48.8	-29.6	179.6	-82.3	0	0	0	0	113.8	A11 A12 V13	C9-A11 VanDerWaalsContact C-N 3.33Å; C9-A11 PolarHBondContact O-N 3.38Å; C9-A12 PolarHBondContact O-N 3.09Å; C9-V13 WeakPolarHBondContact O-CG2 3.46Å; C9-V13 PolarHBondContact O-N 3.5Å; C9-V13 VanDerWaalsContact O-N 3.09Å
10	V	60.4	Low	53.8	Low	104 Å²	104	125.7 Å²	125.7	63%	0.63	67%	0.668	S	S	*	*	H	α-helix	trans	-61.6	-39.9	177.2	-172.8	0	0	0	0	111.9	P8 V13 I14	P8-V10 PolarHBondContact O-N 3.3Å; V10-V13 PolarHBondContact O-N 2.87Å; V10-I14 HydrophobicContact CG1-CD1 4.14Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.45Å
11	A	58.5	Low	53.8	Low	35 Å²	35	123.2 Å²	123.2	29%	0.289	66%	0.66	S	S	.	*	H	α-helix	trans	-70.9	-34.1	178.8	0	0	0	0	0	112.1	V7 P8 C9 L15	V7-A11 HydrophobicContact CG1-CB 3.73Å; P8-A11 WeakPolarHBondContact O-CB 3.34Å; P8-A11 PolarHBondContact O-N 3.03Å; C9-A11 VanDerWaalsContact C-N 3.33Å; C9-A11 PolarHBondContact O-N 3.38Å; A11-L15 WeakPolarHBondContact O-CB 3.38Å; A11-L15 PolarHBondContact O-N 2.92Å
12	A	60.6	Low	54.8	Low	46 Å²	46	116.6 Å²	116.6	38%	0.38	64%	0.636	S	S	.	*	H	α-helix	trans	-66.6	-38.5	174.1	0	0	0	0	0	111.9	C9 L15 L16	C9-A12 PolarHBondContact O-N 3.09Å; A12-L15 PolarHBondContact O-N 3.03Å; A12-L16 WeakPolarHBondContact O-CB 3.46Å; A12-L16 PolarHBondContact O-N 2.97Å
13	V	61.4	Low	56	Low	84 Å²	84	113.6 Å²	113.6	51%	0.509	63%	0.631	S	S	.	*	H	α-helix	trans	-68.9	-40.6	176.6	173.8	0	0	0	0	111.6	C9 V10 L16 L17	C9-V13 WeakPolarHBondContact O-CG2 3.46Å; C9-V13 PolarHBondContact O-N 3.5Å; C9-V13 VanDerWaalsContact O-N 3.09Å; V10-V13 PolarHBondContact O-N 2.87Å; V13-L16 PolarHBondContact O-N 3.36Å; V13-L17 HydrophobicContact CG1-CD1 3.97Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.9Å
14	I	60.8	Low	57.3	Low	101 Å²	101	107.9 Å²	107.9	52%	0.518	62%	0.623	S	S	.	*	H	α-helix	trans	-63.2	-44.2	175.1	-67.8	169.2	0	0	0	110.7	V10 L16 L17 T18	V10-I14 HydrophobicContact CG1-CD1 4.14Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.45Å; I14-L16 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 2.76Å; I14-T18 WeakPolarHBondContact O-CG2 3.3Å; I14-T18 PolarHBondContact O-N 3.38Å; I14-T18 PolarHBondContact O-OG1 3Å
15	L	58.8	Low	58.3	Low	111 Å²	111	104.5 Å²	104.5	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-60.6	-45	175.5	-84	159.2	0	0	0	111.8	A11 A12 L17 T18 V19	A11-L15 WeakPolarHBondContact O-CB 3.38Å; A11-L15 PolarHBondContact O-N 2.92Å; A12-L15 PolarHBondContact O-N 3.03Å; L15-L17 PolarHBondContact O-N 3.49Å; L15-T18 PolarHBondContact O-N 3.27Å; L15-T18 PolarHBondContact O-OG1 3.29Å; L15-V19 VanDerWaalsContact O-CG2 3.27Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.06Å
16	L	57.8	Low	58.9	Low	103 Å²	103	107.8 Å²	107.8	54%	0.539	63%	0.628	S	S	.	*	H	α-helix	trans	-62.5	-39.8	175.6	-96.3	145.5	0	0	0	112.9	A12 V13 I14 T18 V19 L20	A12-L16 WeakPolarHBondContact O-CB 3.46Å; A12-L16 PolarHBondContact O-N 2.97Å; V13-L16 PolarHBondContact O-N 3.36Å; I14-L16 PolarHBondContact O-N 3.48Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-V19 PolarHBondContact O-N 2.96Å; L16-L20 HydrophobicContact CD2-CD1 4.24Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 PolarHBondContact O-N 3.27Å
17	L	57.7	Low	59.2	Low	109 Å²	109	101 Å²	101	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-66.5	-35.2	176.3	-73.9	169.2	0	0	0	112.1	V13 I14 L15 S21	V13-L17 HydrophobicContact CG1-CD1 3.97Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.9Å; I14-L17 PolarHBondContact O-N 2.76Å; L15-L17 PolarHBondContact O-N 3.49Å; L17-S21 WeakPolarHBondContact O-CB 3.1Å; L17-S21 PolarHBondContact O-N 2.65Å; L17-S21 PolarHBondContact O-OG 3.06Å
18	T	60.2	Low	59.4	Low	92 Å²	92	107.9 Å²	107.9	56%	0.564	63%	0.629	S	S	*	*	H	α-helix	trans	-72.1	-28.5	174.1	57.6	0	0	0	0	113.5	I14 L15 L16	I14-T18 WeakPolarHBondContact O-CG2 3.3Å; I14-T18 PolarHBondContact O-N 3.38Å; I14-T18 PolarHBondContact O-OG1 3Å; L15-T18 PolarHBondContact O-N 3.27Å; L15-T18 PolarHBondContact O-OG1 3.29Å; L16-T18 VanDerWaalsContact C-N 3.34Å
19	V	61.3	Low	59.6	Low	117 Å²	117	107.3 Å²	107.3	71%	0.709	62%	0.621	S	S	*	*	H	α-helix	trans	-80.2	-31.8	177.8	173.2	0	0	0	0	112.1	L15 L16	L15-V19 VanDerWaalsContact O-CG2 3.27Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.06Å; L16-V19 PolarHBondContact O-N 2.96Å
20	L	54.6	Low	60	Low	130 Å²	130	107 Å²	107	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-91.9	-6.2	177.9	-77.1	162.8	0	0	0	114.1	L16 P22	L16-L20 HydrophobicContact CD2-CD1 4.24Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 PolarHBondContact O-N 3.27Å; L20-P22 WeakPolarHBondContact O-CD 3.45Å
21	S	55.1	Low	61.3	Low	74 Å²	74	111.3 Å²	111.3	52%	0.517	63%	0.625	S	S	.	*	S	Bend	trans	-71.4	109.7	168.3	-64.8	0	0	0	0	107.4	L17	L17-S21 WeakPolarHBondContact O-CB 3.1Å; L17-S21 PolarHBondContact O-N 2.65Å; L17-S21 PolarHBondContact O-OG 3.06Å
22	P	56.5	Low	62.8	Low	108 Å²	108	114.6 Å²	114.6	70%	0.701	64%	0.644	S	S	*	*			trans	-54.6	137.2	169	23.2	-30.6	0	0	0	107.3	L20 V24	L20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-V24 PolarHBondContact O-N 3.08Å
23	P	58.8	Low	64.2	Low	122 Å²	122	120.9 Å²	120.9	79%	0.792	66%	0.658	S	S	*	*			trans	-51.9	125.6	172.6	22.7	-30.6	0	0	0	106.3	A25	P23-A25 PolarHBondContact O-N 2.77Å; P23-A25 VanDerWaalsContact O-N 3.14Å
24	V	61.1	Low	65.8	Low	134 Å²	134	123.9 Å²	123.9	81%	0.812	66%	0.664	S	S	*	*	S	Bend	trans	-22	117.3	174	174.4	0	0	0	0	109	P22 L26	P22-V24 PolarHBondContact O-N 3.08Å; V24-L26 PolarHBondContact O-N 3.02Å
25	A	58.2	Low	67.5	Low	81 Å²	81	123.6 Å²	123.6	67%	0.669	66%	0.663	S	S	*	*			trans	-28.4	125.4	-178.5	0	0	0	0	0	110.8	P23 V27	P23-A25 PolarHBondContact O-N 2.77Å; P23-A25 VanDerWaalsContact O-N 3.14Å; A25-V27 VanDerWaalsContact C-N 3.3Å; A25-V27 PolarHBondContact O-N 3.34Å
26	L	58.4	Low	69.3	Low	170 Å²	170	123.1 Å²	123.1	89%	0.89	66%	0.658	S	S	*	*			trans	-41.8	99.1	170.2	-85.8	159.3	0	0	0	108.5	V24 R28	V24-L26 PolarHBondContact O-N 3.02Å; L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 2.79Å
27	V	61.7	Low	71.2	Confident	104 Å²	104	124 Å²	124	63%	0.63	66%	0.655	S	S	*	*			trans	-62	101.9	166.6	175.7	0	0	0	0	103.1	A25 D29	A25-V27 VanDerWaalsContact C-N 3.3Å; A25-V27 PolarHBondContact O-N 3.34Å; V27-D29 VanDerWaalsContact C-N 3.29Å; V27-D29 PolarHBondContact O-N 3.14Å
28	R	61	Low	73.1	Confident	244 Å²	244	121.7 Å²	121.7	92%	0.921	65%	0.648	S	S	*	*	S	Bend	trans	-59.3	98.5	174.6	-102.1	179.5	168.1	176.5	-3.1	106.6	L26	L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 2.79Å
29	D	68	Low	74.9	Confident	76 Å²	76	118.3 Å²	118.3	41%	0.406	63%	0.627	S	S	.	*			trans	51.7	94	175	-165.8	10.7	0	0	0	115.1	V27 R31 R33	V27-D29 VanDerWaalsContact C-N 3.29Å; V27-D29 PolarHBondContact O-N 3.14Å; D29-R31 PolarHBondContact O-N 3.12Å; D29-R31 WeakPolarHBondContact OD1-CB 3.47Å; D29-R31 WeakPolarHBondContact OD1-CD 3.34Å; D29-R31 WeakPolarHBondContact OD1-CG 3.43Å; D29-R31 PolarHBondContact OD1-N 3.38Å; D29-R31 IonicContact OD1-NE 3.55Å; D29-R33 IonicContact OD2-CZ 3.76Å; D29-R33 IonicContact OD2-NE 3.54Å; D29-R33 IonicContact OD2-NH2 3.76Å; D29-R33 PolarHBondContact OD2-NH2 2.7Å
30	S	69.6	Low	76.7	Confident	103 Å²	103	115.5 Å²	115.5	72%	0.72	61%	0.613	S	S	*	*			trans	-80.1	10.5	178.2	65.2	0	0	0	0	114.2
31	R	87.9	Confident	78.8	Confident	193 Å²	193	111.6 Å²	111.6	73%	0.728	59%	0.591	S	S	*	*			trans	-66.3	131.4	178.2	-71	174.7	-172.4	-168.6	3.4	109.6	D29 R33	D29-R31 PolarHBondContact O-N 3.12Å; D29-R31 WeakPolarHBondContact OD1-CB 3.47Å; D29-R31 WeakPolarHBondContact OD1-CD 3.34Å; D29-R31 WeakPolarHBondContact OD1-CG 3.43Å; D29-R31 PolarHBondContact OD1-N 3.38Å; D29-R31 IonicContact OD1-NE 3.55Å; R31-R33 PolarHBondContact O-N 2.93Å
32	P	88.4	Confident	80.8	Confident	104 Å²	104	109.8 Å²	109.8	68%	0.675	58%	0.578	S	S	*	*			trans	-60.8	128.8	174	25.8	-32.5	0	0	0	108.9	F34	P32-F34 HydrophobicContact CB-CE2 4.05Å; P32-F34 HydrophobicContact CB-CZ 4.04Å
33	R	90.7	Very high	82.8	Confident	179 Å²	179	107.4 Å²	107.4	68%	0.675	56%	0.557	S	S	*	*			trans	-121.3	138.7	173.9	-64.3	-176.8	-173	-179.5	0.4	107.7	D29 R31 N60	D29-R33 IonicContact OD2-CZ 3.76Å; D29-R33 IonicContact OD2-NE 3.54Å; D29-R33 IonicContact OD2-NH2 3.76Å; D29-R33 PolarHBondContact OD2-NH2 2.7Å; R31-R33 PolarHBondContact O-N 2.93Å; R33-N60 PolarHBondContact O-OD1 3.26Å
34	F	94.6	Very high	84.7	Confident	146 Å²	146	105.2 Å²	105.2	64%	0.64	54%	0.535	S	S	*	.			trans	-124.1	130	176.7	-53.7	-75.1	0	0	0	106.9	P32 Y59 N60	P32-F34 HydrophobicContact CB-CE2 4.05Å; P32-F34 HydrophobicContact CB-CZ 4.04Å; F34-Y59 AromaticContact CD1-CZ 3.94Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.5Å; F34-N60 WeakPolarHBondContact CA-OD1 3.19Å
35	L	96.7	Very high	86.2	Confident	96 Å²	96	103.5 Å²	103.5	50%	0.503	52%	0.515	S	S	.	.			trans	-127.4	118	178.2	175.4	66.5	0	0	0	108.3	N60	L35-N60 PolarHBondContact N-OD1 2.87Å; L35-N60 PolarHBondContact O-N 2.82Å
36	E	97.5	Very high	87.8	Confident	101 Å²	101	105.4 Å²	105.4	47%	0.472	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.8	162.1	-173.8	60.8	-154.3	0	0	107.6	Y64	E36-Y64 VanDerWaalsContact OE1-CE1 3.31Å; E36-Y64 WeakPolarHBondContact OE1-CE1 2.96Å; E36-Y64 PolarHBondContact OE1-OH 2.95Å
37	Y	97.4	Very high	89.3	Confident	121 Å²	121	98.2 Å²	98.2	48%	0.475	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.5	-176	168.9	-117.2	0	0	0	109.6	T39 F58	Y37-T39 HydrophobicContact CD1-CG2 4.49Å; Y37-T39 HydrophobicContact CE1-CG2 3.49Å; Y37-T39 VanDerWaalsContact CE1-CG2 3.49Å; Y37-T39 HydrophobicContact CE2-CG2 4.13Å; Y37-T39 WeakPolarHBondContact OH-CG2 3.49Å; Y37-F58 HydrophobicContact CD1-CB 4.1Å; Y37-F58 AromaticContact CD1-CD2 3.54Å; Y37-F58 HydrophobicContact CD1-CD2 3.54Å; Y37-F58 HydrophobicContact CD1-CE2 4.15Å; Y37-F58 AromaticContact CD1-CG 3.98Å; Y37-F58 HydrophobicContact CD1-CG 3.98Å; Y37-F58 AromaticContact CE1-CD2 3.98Å; Y37-F58 HydrophobicContact CE1-CD2 3.98Å; Y37-F58 HydrophobicContact CE1-CE2 4.11Å; Y37-F58 HydrophobicContact CG-CD2 4.48Å; Y37-F58 PolarHBondContact N-O 2.86Å; Y37-F58 WeakPolarHBondContact O-CA 3.2Å; Y37-F58 WeakPolarHBondContact O-CB 3.15Å; Y37-F58 WeakPolarHBondContact O-CD2 3.44Å; Y37-F58 PolarHBondContact O-N 3.34Å
38	S	97.8	Very high	90.8	Very high	60 Å²	60	96 Å²	96	42%	0.42	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.2	173.3	62.8	0	0	0	0	111.9	R56	S38-R56 CarbonylContact C-O 3.53Å; S38-R56 WeakPolarHBondContact CA-O 3.35Å; S38-R56 WeakPolarHBondContact CB-O 3.4Å
39	T	98.4	Very high	92.4	Very high	21 Å²	21	91.5 Å²	91.5	13%	0.129	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.3	172.7	57.9	0	0	0	0	110.1	Y37 E41 D55 R56 F58	Y37-T39 HydrophobicContact CD1-CG2 4.49Å; Y37-T39 HydrophobicContact CE1-CG2 3.49Å; Y37-T39 VanDerWaalsContact CE1-CG2 3.49Å; Y37-T39 HydrophobicContact CE2-CG2 4.13Å; Y37-T39 WeakPolarHBondContact OH-CG2 3.49Å; T39-E41 PolarHBondContact OG1-OE1 3.18Å; T39-D55 CarbonylContact O-C 3.5Å; T39-D55 WeakPolarHBondContact O-CA 3.33Å; T39-R56 PolarHBondContact N-O 2.85Å; T39-R56 PolarHBondContact O-N 2.83Å; T39-R56 WeakPolarHBondContact OG1-CB 3.42Å; T39-F58 HydrophobicContact CG2-CE2 4.11Å
40	S	98.2	Very high	93.7	Very high	58 Å²	58	95.1 Å²	95.1	41%	0.406	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	94.8	171.2	-47.8	0	0	0	0	108.2	D55	S40-D55 WeakPolarHBondContact CB-OD1 3.21Å; S40-D55 PolarHBondContact OG-OD1 3.08Å
41	E	98.5	Very high	95.1	Very high	49 Å²	49	90.7 Å²	90.7	23%	0.229	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.7	-170.8	-53.2	175.3	-163.4	0	0	111.1	T39 H43 F53 L54 R56	T39-E41 PolarHBondContact OG1-OE1 3.18Å; E41-H43 IonicContact OE2-CD2 2.84Å; E41-H43 IonicContact OE2-CE1 2.92Å; E41-H43 IonicContact OE2-NE2 2.76Å; E41-H43 PolarHBondContact OE2-NE2 2.72Å; E41-F53 WeakPolarHBondContact O-CA 3.46Å; E41-L54 HydrophobicContact CB-CB 4.33Å; E41-L54 PolarHBondContact N-O 2.82Å; E41-L54 PolarHBondContact O-N 2.94Å; E41-R56 VanDerWaalsContact OE1-CD 3.26Å; E41-R56 WeakPolarHBondContact OE1-CD 3.24Å; E41-R56 IonicContact OE1-CZ 2.86Å; E41-R56 IonicContact OE1-NH1 3.89Å; E41-R56 PolarHBondContact OE1-NH1 2.82Å
42	C	98.4	Very high	95.6	Very high	35 Å²	35	84.2 Å²	84.2	24%	0.236	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.2	171.4	-63.7	0	0	0	0	110.2	F44 C106	C42-F44 HydrophobicContact CB-CD2 4.4Å; C42-F44 HydrophobicContact CB-CE1 4.42Å; C42-F44 HydrophobicContact CB-CE2 3.5Å; C42-F44 VanDerWaalsContact CB-CE2 3.5Å; C42-F44 HydrophobicContact CB-CZ 3.51Å; C42-F44 WeakPolarHBondContact O-CD2 3.47Å; C42-F44 WeakPolarHBondContact O-CE2 3.28Å; C42-C106 HydrophobicContact CB-CB 3.64Å; C42-C106 WeakPolarHBondContact CB-SG 3.32Å; C42-C106 WeakPolarHBondContact SG-CA 3.34Å; C42-C106 WeakPolarHBondContact SG-CB 3.3Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.26Å
43	H	98.1	Very high	96.1	Very high	59 Å²	59	79.8 Å²	79.8	27%	0.273	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.7	179.7	-67.1	-108.1	0	0	0	109.9	E41 Y45 V51 R52	E41-H43 IonicContact OE2-CD2 2.84Å; E41-H43 IonicContact OE2-CE1 2.92Å; E41-H43 IonicContact OE2-NE2 2.76Å; E41-H43 PolarHBondContact OE2-NE2 2.72Å; H43-Y45 HydrophobicContact CB-CE2 3.78Å; H43-V51 WeakPolarHBondContact O-CA 3.21Å; H43-R52 HydrophobicContact CB-CB 4.25Å; H43-R52 PolarHBondContact N-O 2.95Å; H43-R52 PolarHBondContact O-N 2.89Å
44	F	97.4	Very high	96.4	Very high	75 Å²	75	71.8 Å²	71.8	33%	0.329	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.7	-176.6	-59.8	-79	0	0	0	111	C42 G47 V51 C106 Y110	C42-F44 HydrophobicContact CB-CD2 4.4Å; C42-F44 HydrophobicContact CB-CE1 4.42Å; C42-F44 HydrophobicContact CB-CE2 3.5Å; C42-F44 VanDerWaalsContact CB-CE2 3.5Å; C42-F44 HydrophobicContact CB-CZ 3.51Å; C42-F44 WeakPolarHBondContact O-CD2 3.47Å; C42-F44 WeakPolarHBondContact O-CE2 3.28Å; F44-G47 WeakPolarHBondContact CB-O 3.29Å; F44-V51 HydrophobicContact CD1-CG1 4.12Å; F44-V51 HydrophobicContact CD1-CG2 3.81Å; F44-V51 HydrophobicContact CE1-CG1 3.91Å; F44-V51 HydrophobicContact CE1-CG2 4.11Å; F44-C106 HydrophobicContact CE1-CB 4.19Å; F44-C106 HydrophobicContact CZ-CB 4.11Å; F44-C106 WeakPolarHBondContact CZ-O 3.46Å; F44-Y110 HydrophobicContact CB-CD2 4.35Å; F44-Y110 HydrophobicContact CB-CE2 4.24Å; F44-Y110 AromaticContact CD1-CD2 3.47Å; F44-Y110 HydrophobicContact CD1-CD2 3.47Å; F44-Y110 VanDerWaalsContact CD1-CD2 3.47Å; F44-Y110 HydrophobicContact CD1-CE2 4.14Å; F44-Y110 HydrophobicContact CD1-CG 4.05Å; F44-Y110 AromaticContact CD2-CD2 3.91Å; F44-Y110 HydrophobicContact CD2-CD2 3.91Å; F44-Y110 HydrophobicContact CD2-CE2 4.42Å; F44-Y110 AromaticContact CE1-CD2 3.63Å; F44-Y110 HydrophobicContact CE1-CD2 3.63Å; F44-Y110 AromaticContact CE1-CG 3.91Å; F44-Y110 HydrophobicContact CE1-CG 3.91Å; F44-Y110 HydrophobicContact CE2-CD2 4.03Å; F44-Y110 AromaticContact CG-CD2 3.63Å; F44-Y110 HydrophobicContact CG-CD2 3.63Å; F44-Y110 HydrophobicContact CG-CE2 4.01Å; F44-Y110 AromaticContact CZ-CD2 3.9Å; F44-Y110 HydrophobicContact CZ-CD2 3.9Å; F44-Y110 HydrophobicContact CZ-CG 4.32Å
45	Y	94.4	Very high	96.6	Very high	99 Å²	99	65.3 Å²	65.3	39%	0.388	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.3	175	-55.2	-87.7	0	0	0	108.3	H43 R50 R52	H43-Y45 HydrophobicContact CB-CE2 3.78Å; Y45-R50 HydrophobicContact CD2-CG 4.14Å; Y45-R50 PolarHBondContact N-O 3.34Å; Y45-R50 PolarHBondContact O-N 3.05Å; Y45-R52 HydrophobicContact CE2-CB 4.31Å
46	N	90.4	Very high	96.7	Very high	120 Å²	120	63.6 Å²	63.6	64%	0.642	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	66.2	-174.4	-162.6	22.5	0	0	0	113.3	T48 Q49	N46-T48 PolarHBondContact O-N 3.46Å; N46-Q49 PolarHBondContact ND2-OE1 2.8Å; N46-Q49 PolarHBondContact O-N 2.63Å; N46-Q49 VanDerWaalsContact O-N 3.17Å
47	G	90.2	Very high	96.8	Very high	20 Å²	20	61 Å²	61	21%	0.206	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	-127.8	-177.5	0	0	0	0	0	111.8	F44 Y110	F44-G47 WeakPolarHBondContact CB-O 3.29Å; G47-Y110 WeakPolarHBondContact CA-OH 3.13Å
48	T	94	Very high	96.8	Very high	56 Å²	56	56.4 Å²	56.4	34%	0.344	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	24.5	176.8	58.5	0	0	0	0	112.3	N46 R107 Y110	N46-T48 PolarHBondContact O-N 3.46Å; T48-R107 HydrophobicContact CG2-CG 4.42Å; T48-R107 PolarHBondContact O-NH1 2.92Å; T48-Y110 HydrophobicContact CG2-CD1 3.38Å; T48-Y110 HydrophobicContact CG2-CE1 4.05Å; T48-Y110 HydrophobicContact CG2-CG 3.71Å
49	Q	92.9	Very high	96.8	Very high	150 Å²	150	57.7 Å²	57.7	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-49.3	173.3	-69.1	-177.7	-0.5	0	0	110.9	N46	N46-Q49 PolarHBondContact ND2-OE1 2.8Å; N46-Q49 PolarHBondContact O-N 2.63Å; N46-Q49 VanDerWaalsContact O-N 3.17Å
50	R	96.4	Very high	96.7	Very high	152 Å²	152	59.7 Å²	59.7	57%	0.574	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.1	176.6	177.9	-179.3	176.5	-172.7	-1.3	109.3	Y45	Y45-R50 HydrophobicContact CD2-CG 4.14Å; Y45-R50 PolarHBondContact N-O 3.34Å; Y45-R50 PolarHBondContact O-N 3.05Å
51	V	98.3	Very high	96.6	Very high	11 Å²	11	68.5 Å²	68.5	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133	-177.9	-177.3	0	0	0	0	108	H43 F44 V102 C106 R107	H43-V51 WeakPolarHBondContact O-CA 3.21Å; F44-V51 HydrophobicContact CD1-CG1 4.12Å; F44-V51 HydrophobicContact CD1-CG2 3.81Å; F44-V51 HydrophobicContact CE1-CG1 3.91Å; F44-V51 HydrophobicContact CE1-CG2 4.11Å; V51-V102 HydrophobicContact CB-CG1 4.04Å; V51-V102 HydrophobicContact CG1-CG1 4.1Å; V51-C106 HydrophobicContact CG1-CB 3.57Å; V51-R107 HydrophobicContact CG2-CG 4.12Å
52	R	98.4	Very high	96.5	Very high	57 Å²	57	71.4 Å²	71.4	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.5	173.7	176.5	-176.8	176.9	-158.1	2.4	109	H43 Y45 D68 S69 D70	H43-R52 HydrophobicContact CB-CB 4.25Å; H43-R52 PolarHBondContact N-O 2.95Å; H43-R52 PolarHBondContact O-N 2.89Å; Y45-R52 HydrophobicContact CE2-CB 4.31Å; R52-D68 IonicContact CZ-OD1 2.72Å; R52-D68 IonicContact CZ-OD2 3.65Å; R52-D68 IonicContact NE-OD1 3.36Å; R52-D68 PolarHBondContact NE-OD1 3.33Å; R52-D68 IonicContact NE-OD2 3.22Å; R52-D68 PolarHBondContact NE-OD2 3.41Å; R52-D68 IonicContact NH2-OD1 2.64Å; R52-D68 IonicContact NH2-OD2 2.87Å; R52-D68 PolarHBondContact NH2-OD2 3.19Å; R52-S69 WeakPolarHBondContact CA-OG 3.41Å; R52-D70 IonicContact NE-OD2 2.6Å
53	F	98.7	Very high	96.5	Very high	10 Å²	10	70.7 Å²	70.7	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.7	173.6	178.7	-116.7	0	0	0	109.2	E41 D55 F67 S69 V102 Y105 C106	E41-F53 WeakPolarHBondContact O-CA 3.46Å; F53-D55 HydrophobicContact CE1-CB 3.9Å; F53-D55 HydrophobicContact CZ-CB 3.94Å; F53-F67 HydrophobicContact CD1-CD1 4.01Å; F53-F67 HydrophobicContact CD1-CE1 4.08Å; F53-F67 HydrophobicContact CE1-CD1 4.3Å; F53-S69 PolarHBondContact N-OG 3.4Å; F53-S69 WeakPolarHBondContact O-CB 3.49Å; F53-S69 PolarHBondContact O-N 2.87Å; F53-S69 PolarHBondContact O-OG 3.06Å; F53-V102 HydrophobicContact CB-CG2 3.8Å; F53-Y105 HydrophobicContact CE2-CD1 4.18Å; F53-C106 VanDerWaalsContact CD2-SG 3.52Å
54	L	98.6	Very high	96.6	Very high	12 Å²	12	68.8 Å²	68.8	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	107.8	-178.4	-176.7	68.2	0	0	0	108.9	E41 R56 F67 D68	E41-L54 HydrophobicContact CB-CB 4.33Å; E41-L54 PolarHBondContact N-O 2.82Å; E41-L54 PolarHBondContact O-N 2.94Å; L54-R56 HydrophobicContact CD1-CG 4.35Å; L54-R56 HydrophobicContact CD2-CG 4.24Å; L54-R56 HydrophobicContact CG-CG 3.81Å; L54-F67 WeakPolarHBondContact CA-O 3.11Å; L54-D68 HydrophobicContact CD1-CB 3.87Å
55	D	98.6	Very high	96.6	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.3	177.9	-163.3	37.2	0	0	0	109.2	T39 S40 F53 Y57 R66 F67	T39-D55 CarbonylContact O-C 3.5Å; T39-D55 WeakPolarHBondContact O-CA 3.33Å; S40-D55 WeakPolarHBondContact CB-OD1 3.21Å; S40-D55 PolarHBondContact OG-OD1 3.08Å; F53-D55 HydrophobicContact CE1-CB 3.9Å; F53-D55 HydrophobicContact CZ-CB 3.94Å; D55-Y57 WeakPolarHBondContact OD2-CE2 3.38Å; D55-Y57 VanDerWaalsContact OD2-CZ 3.25Å; D55-Y57 PolarHBondContact OD2-OH 2.86Å; D55-R66 CarbonylContact O-C 3.57Å; D55-R66 WeakPolarHBondContact O-CA 2.97Å; D55-R66 WeakPolarHBondContact O-CB 3.21Å; D55-F67 HydrophobicContact CB-CB 4.23Å; D55-F67 PolarHBondContact N-O 2.83Å; D55-F67 PolarHBondContact O-N 2.63Å
56	R	98.7	Very high	96.8	Very high	59 Å²	59	64.2 Å²	64.2	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.2	-169.8	-50.1	166.4	69.5	-164.3	-2.4	110	S38 T39 E41 L54 F58 E63 R66	S38-R56 CarbonylContact C-O 3.53Å; S38-R56 WeakPolarHBondContact CA-O 3.35Å; S38-R56 WeakPolarHBondContact CB-O 3.4Å; T39-R56 PolarHBondContact N-O 2.85Å; T39-R56 PolarHBondContact O-N 2.83Å; T39-R56 WeakPolarHBondContact OG1-CB 3.42Å; E41-R56 VanDerWaalsContact OE1-CD 3.26Å; E41-R56 WeakPolarHBondContact OE1-CD 3.24Å; E41-R56 IonicContact OE1-CZ 2.86Å; E41-R56 IonicContact OE1-NH1 3.89Å; E41-R56 PolarHBondContact OE1-NH1 2.82Å; L54-R56 HydrophobicContact CD1-CG 4.35Å; L54-R56 HydrophobicContact CD2-CG 4.24Å; L54-R56 HydrophobicContact CG-CG 3.81Å; R56-F58 HydrophobicContact CB-CD2 4.49Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 3.96Å; R56-E63 HydrophobicContact CB-CG 4.41Å; R56-E63 IonicContact CZ-OE1 2.82Å; R56-E63 IonicContact CZ-OE2 3.57Å; R56-E63 VanDerWaalsContact NE-CD 3.31Å; R56-E63 IonicContact NE-OE1 3.61Å; R56-E63 PolarHBondContact NE-OE1 2.75Å; R56-E63 IonicContact NE-OE2 2.85Å; R56-E63 PolarHBondContact NE-OE2 2.93Å; R56-E63 IonicContact NH2-OE1 3.81Å; R56-E63 IonicContact NH2-OE2 3.5Å; R56-E63 PolarHBondContact NH2-OE2 2.99Å; R56-R66 HydrophobicContact CG-CB 4.27Å
57	Y	98.6	Very high	97.2	Very high	46 Å²	46	58.5 Å²	58.5	18%	0.18	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.3	-177.6	-62.2	-103.9	0	0	0	109.8	D55 E63 Y64 V65 Y74 W88	D55-Y57 WeakPolarHBondContact OD2-CE2 3.38Å; D55-Y57 VanDerWaalsContact OD2-CZ 3.25Å; D55-Y57 PolarHBondContact OD2-OH 2.86Å; Y57-E63 CarbonylContact O-C 3.5Å; Y57-E63 VanDerWaalsContact O-CA 3.3Å; Y57-E63 WeakPolarHBondContact O-CA 3.45Å; Y57-Y64 VanDerWaalsContact O-CD1 3.32Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.44Å; Y57-Y64 PolarHBondContact O-N 2.82Å; Y57-V65 HydrophobicContact CD2-CG1 3.83Å; Y57-V65 HydrophobicContact CG-CG1 3.88Å; Y57-V65 PolarHBondContact N-O 2.88Å; Y57-Y74 HydrophobicContact CE2-CE1 4.12Å; Y57-W88 HydrophobicContact CD1-CH2 4.02Å; Y57-W88 HydrophobicContact CD2-CH2 4.21Å; Y57-W88 HydrophobicContact CD2-CZ3 4.1Å; Y57-W88 AromaticContact CE1-CH2 3.86Å; Y57-W88 HydrophobicContact CE1-CH2 3.86Å; Y57-W88 HydrophobicContact CE2-CH2 4.09Å; Y57-W88 AromaticContact CE2-CZ3 3.96Å; Y57-W88 HydrophobicContact CE2-CZ3 3.96Å; Y57-W88 HydrophobicContact CG-CH2 4.21Å; Y57-W88 AromaticContact CZ-CH2 3.93Å
58	F	98.6	Very high	97.6	Very high	26 Å²	26	58.4 Å²	58.4	11%	0.114	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.3	-172.6	-57.2	-98.1	0	0	0	110.5	Y37 T39 R56 E62 E63	Y37-F58 HydrophobicContact CD1-CB 4.1Å; Y37-F58 AromaticContact CD1-CD2 3.54Å; Y37-F58 HydrophobicContact CD1-CD2 3.54Å; Y37-F58 HydrophobicContact CD1-CE2 4.15Å; Y37-F58 AromaticContact CD1-CG 3.98Å; Y37-F58 HydrophobicContact CD1-CG 3.98Å; Y37-F58 AromaticContact CE1-CD2 3.98Å; Y37-F58 HydrophobicContact CE1-CD2 3.98Å; Y37-F58 HydrophobicContact CE1-CE2 4.11Å; Y37-F58 HydrophobicContact CG-CD2 4.48Å; Y37-F58 PolarHBondContact N-O 2.86Å; Y37-F58 WeakPolarHBondContact O-CA 3.2Å; Y37-F58 WeakPolarHBondContact O-CB 3.15Å; Y37-F58 WeakPolarHBondContact O-CD2 3.44Å; Y37-F58 PolarHBondContact O-N 3.34Å; T39-F58 HydrophobicContact CG2-CE2 4.11Å; R56-F58 HydrophobicContact CB-CD2 4.49Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 3.96Å; F58-E62 VanDerWaalsContact CA-O 3.31Å; F58-E62 WeakPolarHBondContact CA-O 3.26Å; F58-E63 HydrophobicContact CD1-CB 3.63Å; F58-E63 HydrophobicContact CD1-CG 4.19Å; F58-E63 HydrophobicContact CE1-CB 3.56Å; F58-E63 HydrophobicContact CE1-CG 3.93Å; F58-E63 HydrophobicContact CG-CB 4.48Å; F58-E63 HydrophobicContact CZ-CB 4.37Å; F58-E63 HydrophobicContact CZ-CG 4.25Å
59	Y	97.9	Very high	97.9	Very high	87 Å²	87	57 Å²	57	34%	0.341	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.9	165.3	-170.3	-105.8	0	0	0	108.1	F34 R61 E62 L80	F34-Y59 AromaticContact CD1-CZ 3.94Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.5Å; Y59-R61 PolarHBondContact O-N 2.92Å; Y59-E62 PolarHBondContact N-O 3.32Å; Y59-E62 PolarHBondContact O-N 3.11Å; Y59-L80 HydrophobicContact CD1-CD2 4.29Å; Y59-L80 HydrophobicContact CG-CD2 4.21Å
60	N	95.6	Very high	98.1	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-90.8	-168.2	-60.9	-49.9	0	0	0	113.4	R33 F34 L35	R33-N60 PolarHBondContact O-OD1 3.26Å; F34-N60 WeakPolarHBondContact CA-OD1 3.19Å; L35-N60 PolarHBondContact N-OD1 2.87Å; L35-N60 PolarHBondContact O-N 2.82Å
61	R	95.1	Very high	98.2	Very high	243 Å²	243	51 Å²	51	92%	0.917	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.1	3.4	179.5	-64.4	-176.1	177.8	-177.3	-1	112	Y59	Y59-R61 PolarHBondContact O-N 2.92Å
62	E	97.9	Very high	98.2	Very high	110 Å²	110	51 Å²	51	51%	0.514	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.9	-177.5	-174.3	172	-170.5	0	0	108.5	F58 Y59 Y64 T78	F58-E62 VanDerWaalsContact CA-O 3.31Å; F58-E62 WeakPolarHBondContact CA-O 3.26Å; Y59-E62 PolarHBondContact N-O 3.32Å; Y59-E62 PolarHBondContact O-N 3.11Å; E62-Y64 PolarHBondContact O-N 2.83Å; E62-T78 HydrophobicContact CG-CG2 3.96Å; E62-T78 VanDerWaalsContact OE1-CG2 3.31Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.49Å
63	E	98.6	Very high	98.2	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.8	170.9	-171.1	-178	172.6	0	0	108.8	R56 Y57 F58 R66 V77 T78	R56-E63 HydrophobicContact CB-CG 4.41Å; R56-E63 IonicContact CZ-OE1 2.82Å; R56-E63 IonicContact CZ-OE2 3.57Å; R56-E63 VanDerWaalsContact NE-CD 3.31Å; R56-E63 IonicContact NE-OE1 3.61Å; R56-E63 PolarHBondContact NE-OE1 2.75Å; R56-E63 IonicContact NE-OE2 2.85Å; R56-E63 PolarHBondContact NE-OE2 2.93Å; R56-E63 IonicContact NH2-OE1 3.81Å; R56-E63 IonicContact NH2-OE2 3.5Å; R56-E63 PolarHBondContact NH2-OE2 2.99Å; Y57-E63 CarbonylContact O-C 3.5Å; Y57-E63 VanDerWaalsContact O-CA 3.3Å; Y57-E63 WeakPolarHBondContact O-CA 3.45Å; F58-E63 HydrophobicContact CD1-CB 3.63Å; F58-E63 HydrophobicContact CD1-CG 4.19Å; F58-E63 HydrophobicContact CE1-CB 3.56Å; F58-E63 HydrophobicContact CE1-CG 3.93Å; F58-E63 HydrophobicContact CG-CB 4.48Å; F58-E63 HydrophobicContact CZ-CB 4.37Å; F58-E63 HydrophobicContact CZ-CG 4.25Å; E63-R66 IonicContact OE1-CZ 3.94Å; E63-R66 IonicContact OE1-NE 2.86Å; E63-R66 PolarHBondContact OE1-NE 2.91Å; E63-R66 IonicContact OE1-NH2 3.17Å; E63-R66 PolarHBondContact OE1-NH2 2.99Å; E63-R66 IonicContact OE2-CZ 3.93Å; E63-R66 IonicContact OE2-NH2 3.89Å; E63-R66 PolarHBondContact OE2-NH2 2.84Å; E63-V77 HydrophobicContact CB-CG1 4.47Å; E63-V77 HydrophobicContact CG-CB 4.48Å; E63-V77 HydrophobicContact CG-CG2 4.1Å; E63-V77 WeakPolarHBondContact O-CB 3.37Å; E63-V77 WeakPolarHBondContact O-CG1 3.35Å; E63-T78 WeakPolarHBondContact O-CG2 3.2Å
64	Y	98.6	Very high	98.2	Very high	19 Å²	19	51.4 Å²	51.4	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-29.6	-173.8	66.7	-89.3	0	0	0	113.5	E36 Y57 E62 V77 T78 L80 G81 D84	E36-Y64 VanDerWaalsContact OE1-CE1 3.31Å; E36-Y64 WeakPolarHBondContact OE1-CE1 2.96Å; E36-Y64 PolarHBondContact OE1-OH 2.95Å; Y57-Y64 VanDerWaalsContact O-CD1 3.32Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.44Å; Y57-Y64 PolarHBondContact O-N 2.82Å; E62-Y64 PolarHBondContact O-N 2.83Å; Y64-V77 PolarHBondContact O-N 2.91Å; Y64-T78 WeakPolarHBondContact CA-OG1 3.39Å; Y64-T78 WeakPolarHBondContact CB-OG1 3.25Å; Y64-T78 PolarHBondContact O-N 2.01Å; Y64-L80 HydrophobicContact CD2-CG 4.48Å; Y64-L80 HydrophobicContact CG-CD2 4.25Å; Y64-L80 HydrophobicContact CG-CG 4.4Å; Y64-G81 WeakPolarHBondContact O-CA 3.39Å; Y64-D84 WeakPolarHBondContact CE2-OD2 3.26Å
65	V	98.8	Very high	98.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	149.4	175	64	0	0	0	0	110.4	Y57 Y74 R75 D84 A85 W88	Y57-V65 HydrophobicContact CD2-CG1 3.83Å; Y57-V65 HydrophobicContact CG-CG1 3.88Å; Y57-V65 PolarHBondContact N-O 2.88Å; V65-Y74 HydrophobicContact CG2-CD1 4.29Å; V65-R75 WeakPolarHBondContact CA-O 2.86Å; V65-D84 HydrophobicContact CG1-CB 4.41Å; V65-A85 HydrophobicContact CG2-CB 3.99Å; V65-W88 HydrophobicContact CB-CZ3 4.48Å; V65-W88 HydrophobicContact CG1-CH2 3.99Å; V65-W88 HydrophobicContact CG1-CZ3 3.57Å; V65-W88 HydrophobicContact CG2-CE3 4.37Å; V65-W88 HydrophobicContact CG2-CZ3 4.04Å
66	R	98.8	Very high	98.2	Very high	78 Å²	78	59.1 Å²	59.1	29%	0.294	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.3	174.3	66.3	173.8	64.2	163.8	4	112.4	D55 R56 E63 Y74 R75 V77	D55-R66 CarbonylContact O-C 3.57Å; D55-R66 WeakPolarHBondContact O-CA 2.97Å; D55-R66 WeakPolarHBondContact O-CB 3.21Å; R56-R66 HydrophobicContact CG-CB 4.27Å; E63-R66 IonicContact OE1-CZ 3.94Å; E63-R66 IonicContact OE1-NE 2.86Å; E63-R66 PolarHBondContact OE1-NE 2.91Å; E63-R66 IonicContact OE1-NH2 3.17Å; E63-R66 PolarHBondContact OE1-NH2 2.99Å; E63-R66 IonicContact OE2-CZ 3.93Å; E63-R66 IonicContact OE2-NH2 3.89Å; E63-R66 PolarHBondContact OE2-NH2 2.84Å; R66-Y74 CarbonylContact O-C 3.42Å; R66-Y74 VanDerWaalsContact O-CA 3.3Å; R66-Y74 WeakPolarHBondContact O-CA 3.47Å; R66-R75 PolarHBondContact N-O 3.15Å; R66-R75 PolarHBondContact O-N 2.99Å; R66-V77 HydrophobicContact CB-CG2 4.33Å; R66-V77 HydrophobicContact CG-CG2 3.85Å
67	F	98.8	Very high	98.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.8	159.3	176.4	-88	0	0	0	109	F53 L54 D55 G72 Y74 L95 A98 R99	F53-F67 HydrophobicContact CD1-CD1 4.01Å; F53-F67 HydrophobicContact CD1-CE1 4.08Å; F53-F67 HydrophobicContact CE1-CD1 4.3Å; L54-F67 WeakPolarHBondContact CA-O 3.11Å; D55-F67 HydrophobicContact CB-CB 4.23Å; D55-F67 PolarHBondContact N-O 2.83Å; D55-F67 PolarHBondContact O-N 2.63Å; F67-G72 VanDerWaalsContact CE2-C 3.48Å; F67-Y74 HydrophobicContact CB-CD1 3.65Å; F67-Y74 HydrophobicContact CB-CD2 4.37Å; F67-Y74 HydrophobicContact CB-CE1 3.54Å; F67-Y74 HydrophobicContact CB-CE2 4.24Å; F67-Y74 HydrophobicContact CB-CG 4.09Å; F67-Y74 AromaticContact CD2-CD2 3.94Å; F67-Y74 HydrophobicContact CD2-CD2 3.94Å; F67-Y74 AromaticContact CD2-CE2 3.91Å; F67-Y74 HydrophobicContact CD2-CE2 3.91Å; F67-Y74 HydrophobicContact CD2-CG 4.33Å; F67-Y74 HydrophobicContact CG-CE1 4.48Å; F67-Y74 HydrophobicContact CG-CE2 4.4Å; F67-L95 HydrophobicContact CD2-CD1 4.49Å; F67-L95 HydrophobicContact CE2-CD1 4.04Å; F67-A98 HydrophobicContact CD1-CB 4.05Å; F67-A98 HydrophobicContact CD2-CB 3.77Å; F67-A98 HydrophobicContact CE1-CB 3.91Å; F67-A98 VanDerWaalsContact CE1-O 3.31Å; F67-A98 WeakPolarHBondContact CE1-O 3.35Å; F67-A98 HydrophobicContact CE2-CB 3.62Å; F67-A98 HydrophobicContact CG-CB 3.99Å; F67-A98 HydrophobicContact CZ-CB 3.7Å; F67-R99 HydrophobicContact CE2-CG 4.31Å; F67-R99 HydrophobicContact CZ-CG 3.89Å
68	D	98.8	Very high	98.2	Very high	18 Å²	18	58.7 Å²	58.7	10%	0.096	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.9	175.3	-176.1	-7.8	0	0	0	108.5	R52 L54 D70 V71 G72	R52-D68 IonicContact CZ-OD1 2.72Å; R52-D68 IonicContact CZ-OD2 3.65Å; R52-D68 IonicContact NE-OD1 3.36Å; R52-D68 PolarHBondContact NE-OD1 3.33Å; R52-D68 IonicContact NE-OD2 3.22Å; R52-D68 PolarHBondContact NE-OD2 3.41Å; R52-D68 IonicContact NH2-OD1 2.64Å; R52-D68 IonicContact NH2-OD2 2.87Å; R52-D68 PolarHBondContact NH2-OD2 3.19Å; L54-D68 HydrophobicContact CD1-CB 3.87Å; D68-D70 PolarHBondContact O-N 2.8Å; D68-D70 PolarHBondContact OD1-N 3.27Å; D68-D70 VanDerWaalsContact OD1-N 3.14Å; D68-V71 HydrophobicContact CB-CB 4.21Å; D68-V71 HydrophobicContact CB-CG2 3.95Å; D68-V71 CarbonylContact O-C 3.55Å; D68-V71 WeakPolarHBondContact O-CA 3.35Å; D68-V71 WeakPolarHBondContact O-CB 3.47Å; D68-V71 PolarHBondContact O-N 3.04Å; D68-G72 PolarHBondContact O-N 3.28Å
69	S	98.6	Very high	98.2	Very high	26 Å²	26	63.8 Å²	63.8	18%	0.182	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.7	-178	65.1	0	0	0	0	113.4	R52 F53 V71 V102	R52-S69 WeakPolarHBondContact CA-OG 3.41Å; F53-S69 PolarHBondContact N-OG 3.4Å; F53-S69 WeakPolarHBondContact O-CB 3.49Å; F53-S69 PolarHBondContact O-N 2.87Å; F53-S69 PolarHBondContact O-OG 3.06Å; S69-V71 PolarHBondContact O-N 3.42Å; S69-V102 VanDerWaalsContact CB-CG2 3.44Å
70	D	98.1	Very high	98.2	Very high	98 Å²	98	64.1 Å²	64.1	52%	0.524	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.9	175.7	-72.7	-2.4	0	0	0	111.7	R52 D68	R52-D70 IonicContact NE-OD2 2.6Å; D68-D70 PolarHBondContact O-N 2.8Å; D68-D70 PolarHBondContact OD1-N 3.27Å; D68-D70 VanDerWaalsContact OD1-N 3.14Å
71	V	98.5	Very high	98.3	Very high	79 Å²	79	61.1 Å²	61.1	48%	0.479	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-39.9	175.3	-178.6	0	0	0	0	111.1	D68 S69 E73 R75	D68-V71 HydrophobicContact CB-CB 4.21Å; D68-V71 HydrophobicContact CB-CG2 3.95Å; D68-V71 CarbonylContact O-C 3.55Å; D68-V71 WeakPolarHBondContact O-CA 3.35Å; D68-V71 WeakPolarHBondContact O-CB 3.47Å; D68-V71 PolarHBondContact O-N 3.04Å; S69-V71 PolarHBondContact O-N 3.42Å; V71-E73 HydrophobicContact CG1-CG 4.11Å; V71-R75 HydrophobicContact CG1-CG 4.39Å
72	G	98.2	Very high	98.5	Very high	12 Å²	12	55.3 Å²	55.3	12%	0.124	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	13.5	176.2	0	0	0	0	0	115.2	F67 D68 L95 R99	F67-G72 VanDerWaalsContact CE2-C 3.48Å; D68-G72 PolarHBondContact O-N 3.28Å; G72-L95 WeakPolarHBondContact O-CD1 3.36Å; G72-R99 VanDerWaalsContact O-CZ 3.29Å; G72-R99 PolarHBondContact O-NE 2.91Å; G72-R99 PolarHBondContact O-NH2 2.81Å
73	E	98.6	Very high	98.5	Very high	58 Å²	58	53.9 Å²	53.9	27%	0.271	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	163.1	174.9	66.1	-178.4	-166.6	0	0	113	V71 R75 N89 L95	V71-E73 HydrophobicContact CG1-CG 4.11Å; E73-R75 IonicContact OE1-CZ 2.71Å; E73-R75 IonicContact OE1-NE 3.27Å; E73-R75 PolarHBondContact OE1-NE 2.89Å; E73-R75 VanDerWaalsContact OE1-NE 3.12Å; E73-R75 IonicContact OE1-NH1 3.75Å; E73-R75 IonicContact OE1-NH2 3.92Å; E73-R75 PolarHBondContact OE1-NH2 3.48Å; E73-N89 WeakPolarHBondContact CB-OD1 3.25Å; E73-L95 HydrophobicContact CB-CD1 3.96Å
74	Y	98.8	Very high	98.5	Very high	16 Å²	16	55.3 Å²	55.3	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.5	176.5	-70.9	-92.7	0	0	0	110.5	Y57 V65 R66 F67 W88 N89 I94 L95 A98	Y57-Y74 HydrophobicContact CE2-CE1 4.12Å; V65-Y74 HydrophobicContact CG2-CD1 4.29Å; R66-Y74 CarbonylContact O-C 3.42Å; R66-Y74 VanDerWaalsContact O-CA 3.3Å; R66-Y74 WeakPolarHBondContact O-CA 3.47Å; F67-Y74 HydrophobicContact CB-CD1 3.65Å; F67-Y74 HydrophobicContact CB-CD2 4.37Å; F67-Y74 HydrophobicContact CB-CE1 3.54Å; F67-Y74 HydrophobicContact CB-CE2 4.24Å; F67-Y74 HydrophobicContact CB-CG 4.09Å; F67-Y74 AromaticContact CD2-CD2 3.94Å; F67-Y74 HydrophobicContact CD2-CD2 3.94Å; F67-Y74 AromaticContact CD2-CE2 3.91Å; F67-Y74 HydrophobicContact CD2-CE2 3.91Å; F67-Y74 HydrophobicContact CD2-CG 4.33Å; F67-Y74 HydrophobicContact CG-CE1 4.48Å; F67-Y74 HydrophobicContact CG-CE2 4.4Å; Y74-W88 HydrophobicContact CD1-CD2 4.39Å; Y74-W88 AromaticContact CD1-CE3 3.29Å; Y74-W88 HydrophobicContact CD1-CE3 3.29Å; Y74-W88 AromaticContact CD1-CZ3 3.68Å; Y74-W88 HydrophobicContact CD1-CZ3 3.68Å; Y74-W88 HydrophobicContact CD2-CB 3.81Å; Y74-W88 HydrophobicContact CD2-CE3 4.3Å; Y74-W88 HydrophobicContact CE1-CD2 4.37Å; Y74-W88 AromaticContact CE1-CE3 3.47Å; Y74-W88 HydrophobicContact CE1-CE3 3.47Å; Y74-W88 VanDerWaalsContact CE1-CE3 3.47Å; Y74-W88 AromaticContact CE1-CZ3 3.72Å; Y74-W88 HydrophobicContact CE1-CZ3 3.72Å; Y74-W88 HydrophobicContact CE2-CB 4.1Å; Y74-W88 HydrophobicContact CE2-CE3 4.47Å; Y74-W88 HydrophobicContact CG-CB 4.2Å; Y74-W88 AromaticContact CG-CE3 3.74Å; Y74-W88 HydrophobicContact CG-CE3 3.74Å; Y74-N89 PolarHBondContact N-OD1 2.94Å; Y74-N89 PolarHBondContact O-ND2 2.79Å; Y74-I94 HydrophobicContact CE2-CG2 4.07Å; Y74-L95 HydrophobicContact CD2-CD1 4.44Å; Y74-A98 HydrophobicContact CE2-CB 4.11Å
75	R	98.8	Very high	98.5	Very high	141 Å²	141	54.7 Å²	54.7	53%	0.532	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.1	177.1	-68.7	-65.2	-169.9	174.4	-1.1	109.5	V65 R66 V71 E73 V77	V65-R75 WeakPolarHBondContact CA-O 2.86Å; R66-R75 PolarHBondContact N-O 3.15Å; R66-R75 PolarHBondContact O-N 2.99Å; V71-R75 HydrophobicContact CG1-CG 4.39Å; E73-R75 IonicContact OE1-CZ 2.71Å; E73-R75 IonicContact OE1-NE 3.27Å; E73-R75 PolarHBondContact OE1-NE 2.89Å; E73-R75 VanDerWaalsContact OE1-NE 3.12Å; E73-R75 IonicContact OE1-NH1 3.75Å; E73-R75 IonicContact OE1-NH2 3.92Å; E73-R75 PolarHBondContact OE1-NH2 3.48Å; R75-V77 PolarHBondContact O-N 2.98Å
76	A	98.6	Very high	98.5	Very high	44 Å²	44	60.6 Å²	60.6	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	125.5	167.2	0	0	0	0	0	109.1	R82 A85	A76-R82 HydrophobicContact CB-CB 4.29Å; A76-A85 HydrophobicContact CB-CB 4.24Å
77	V	98.5	Very high	98.5	Very high	65 Å²	65	63.4 Å²	63.4	39%	0.394	32%	0.321	S	S	.	.	S	Bend	trans	-86.9	-32.9	172.5	-179.2	0	0	0	0	109.5	E63 Y64 R66 R75	E63-V77 HydrophobicContact CB-CG1 4.47Å; E63-V77 HydrophobicContact CG-CB 4.48Å; E63-V77 HydrophobicContact CG-CG2 4.1Å; E63-V77 WeakPolarHBondContact O-CB 3.37Å; E63-V77 WeakPolarHBondContact O-CG1 3.35Å; Y64-V77 PolarHBondContact O-N 2.91Å; R66-V77 HydrophobicContact CB-CG2 4.33Å; R66-V77 HydrophobicContact CG-CG2 3.85Å; R75-V77 PolarHBondContact O-N 2.98Å
78	T	98.4	Very high	98.5	Very high	31 Å²	31	65.4 Å²	65.4	19%	0.19	33%	0.328	C	S	.	.	S	Bend	trans	-134.7	167.5	176.1	71	0	0	0	0	109.8	E62 E63 Y64 L80 G81	E62-T78 HydrophobicContact CG-CG2 3.96Å; E62-T78 VanDerWaalsContact OE1-CG2 3.31Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.49Å; E63-T78 WeakPolarHBondContact O-CG2 3.2Å; Y64-T78 WeakPolarHBondContact CA-OG1 3.39Å; Y64-T78 WeakPolarHBondContact CB-OG1 3.25Å; Y64-T78 PolarHBondContact O-N 2.01Å; T78-L80 PolarHBondContact O-N 2.93Å; T78-L80 VanDerWaalsContact O-N 3.15Å; T78-G81 PolarHBondContact O-N 3.26Å; T78-G81 VanDerWaalsContact O-N 3.09Å
79	E	98.1	Very high	98.5	Very high	133 Å²	133	66.7 Å²	66.7	62%	0.621	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.7	-28.8	-179.1	-68.1	-58.9	153.6	0	0	113.3	G81 R82	E79-G81 PolarHBondContact O-N 2.97Å; E79-R82 WeakPolarHBondContact O-CB 3.04Å; E79-R82 PolarHBondContact O-N 3.07Å; E79-R82 IonicContact OE1-CZ 3.03Å; E79-R82 IonicContact OE1-NH2 2.79Å; E79-R82 PolarHBondContact OE1-NH2 2.74Å; E79-R82 IonicContact OE2-CZ 2.67Å; E79-R82 IonicContact OE2-NE 3.59Å; E79-R82 PolarHBondContact OE2-NE 2.84Å; E79-R82 IonicContact OE2-NH2 3.03Å; E79-R82 PolarHBondContact OE2-NH2 3.44Å
80	L	98	Very high	98.5	Very high	93 Å²	93	69.5 Å²	69.5	49%	0.487	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-59.2	-36.2	177.7	-179.5	63.6	0	0	0	112.2	Y59 Y64 T78 P83	Y59-L80 HydrophobicContact CD1-CD2 4.29Å; Y59-L80 HydrophobicContact CG-CD2 4.21Å; Y64-L80 HydrophobicContact CD2-CG 4.48Å; Y64-L80 HydrophobicContact CG-CD2 4.25Å; Y64-L80 HydrophobicContact CG-CG 4.4Å; T78-L80 PolarHBondContact O-N 2.93Å; T78-L80 VanDerWaalsContact O-N 3.15Å; L80-P83 WeakPolarHBondContact O-CD 3.5Å
81	G	98.6	Very high	98.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-91.3	2	-177.3	0	0	0	0	0	116	Y64 T78 E79 D84 A85	Y64-G81 WeakPolarHBondContact O-CA 3.39Å; T78-G81 PolarHBondContact O-N 3.26Å; T78-G81 VanDerWaalsContact O-N 3.09Å; E79-G81 PolarHBondContact O-N 2.97Å; G81-D84 PolarHBondContact O-N 2.68Å; G81-A85 WeakPolarHBondContact O-CB 3.38Å; G81-A85 PolarHBondContact O-N 2.86Å
82	R	98.7	Very high	98.4	Very high	120 Å²	120	68.3 Å²	68.3	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-57.9	-47.4	176.5	-172.2	-169.9	-62.2	-136.2	-4.2	112.3	A76 E79 D84 A85 E86	A76-R82 HydrophobicContact CB-CB 4.29Å; E79-R82 WeakPolarHBondContact O-CB 3.04Å; E79-R82 PolarHBondContact O-N 3.07Å; E79-R82 IonicContact OE1-CZ 3.03Å; E79-R82 IonicContact OE1-NH2 2.79Å; E79-R82 PolarHBondContact OE1-NH2 2.74Å; E79-R82 IonicContact OE2-CZ 2.67Å; E79-R82 IonicContact OE2-NE 3.59Å; E79-R82 PolarHBondContact OE2-NE 2.84Å; E79-R82 IonicContact OE2-NH2 3.03Å; E79-R82 PolarHBondContact OE2-NH2 3.44Å; R82-D84 VanDerWaalsContact C-N 3.33Å; R82-D84 PolarHBondContact O-N 2.82Å; R82-A85 PolarHBondContact O-N 2.88Å; R82-E86 WeakPolarHBondContact CG-OE1 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.29Å; R82-E86 PolarHBondContact O-N 2.98Å
83	P	98.6	Very high	98.4	Very high	81 Å²	81	75.4 Å²	75.4	53%	0.526	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-41.3	179	-22.2	35.1	0	0	0	112.6	L80 Y87	L80-P83 WeakPolarHBondContact O-CD 3.5Å; P83-Y87 VanDerWaalsContact O-CB 3.23Å; P83-Y87 WeakPolarHBondContact O-CB 3.42Å; P83-Y87 PolarHBondContact O-N 2.74Å
84	D	98.5	Very high	98.4	Very high	49 Å²	49	75.1 Å²	75.1	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-68.5	-44.5	-179.4	-59.1	-52.7	0	0	0	111.7	Y64 V65 G81 R82 E86 Y87 W88	Y64-D84 WeakPolarHBondContact CE2-OD2 3.26Å; V65-D84 HydrophobicContact CG1-CB 4.41Å; G81-D84 PolarHBondContact O-N 2.68Å; R82-D84 VanDerWaalsContact C-N 3.33Å; R82-D84 PolarHBondContact O-N 2.82Å; D84-E86 PolarHBondContact O-N 2.98Å; D84-Y87 PolarHBondContact O-N 3.46Å; D84-W88 HydrophobicContact CB-CD2 4.29Å; D84-W88 HydrophobicContact CB-CE3 4.14Å; D84-W88 HydrophobicContact CB-CH2 4.04Å; D84-W88 HydrophobicContact CB-CZ2 4.13Å; D84-W88 HydrophobicContact CB-CZ3 4.05Å; D84-W88 WeakPolarHBondContact O-CB 3.27Å; D84-W88 VanDerWaalsContact O-CG 3.25Å; D84-W88 PolarHBondContact O-N 3.04Å
85	A	98.7	Very high	98.3	Very high	7 Å²	7	75.2 Å²	75.2	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-60	-46	176.5	0	0	0	0	0	111.8	V65 A76 G81 R82 N89	V65-A85 HydrophobicContact CG2-CB 3.99Å; A76-A85 HydrophobicContact CB-CB 4.24Å; G81-A85 WeakPolarHBondContact O-CB 3.38Å; G81-A85 PolarHBondContact O-N 2.86Å; R82-A85 PolarHBondContact O-N 2.88Å; A85-N89 WeakPolarHBondContact O-CB 3.39Å; A85-N89 PolarHBondContact O-N 3.18Å; A85-N89 PolarHBondContact O-ND2 3.24Å
86	E	98.5	Very high	98.3	Very high	124 Å²	124	73.2 Å²	73.2	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-45.6	177	-71.9	174.2	-172.4	0	0	111.5	R82 D84 S90	R82-E86 WeakPolarHBondContact CG-OE1 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.29Å; R82-E86 PolarHBondContact O-N 2.98Å; D84-E86 PolarHBondContact O-N 2.98Å; E86-S90 WeakPolarHBondContact O-CB 3.38Å; E86-S90 PolarHBondContact O-N 2.95Å; E86-S90 VanDerWaalsContact O-N 3.1Å
87	Y	98.6	Very high	98.3	Very high	136 Å²	136	76.4 Å²	76.4	53%	0.533	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-47.4	-179	177.8	-113.2	0	0	0	112.5	P83 D84 S90 Q91	P83-Y87 VanDerWaalsContact O-CB 3.23Å; P83-Y87 WeakPolarHBondContact O-CB 3.42Å; P83-Y87 PolarHBondContact O-N 2.74Å; D84-Y87 PolarHBondContact O-N 3.46Å; Y87-S90 PolarHBondContact O-N 2.63Å; Y87-S90 PolarHBondContact O-OG 3.46Å; Y87-Q91 PolarHBondContact O-NE2 3.38Å; Y87-Q91 PolarHBondContact OH-NE2 3.18Å
88	W	98.6	Very high	98.3	Very high	42 Å²	42	73.6 Å²	73.6	16%	0.159	37%	0.372	C	S	.	.	H	α-helix	trans	-69.7	-38.8	-179.7	-63.2	-27.1	0	0	0	112.3	Y57 V65 Y74 D84 S90 Q91 I94	Y57-W88 HydrophobicContact CD1-CH2 4.02Å; Y57-W88 HydrophobicContact CD2-CH2 4.21Å; Y57-W88 HydrophobicContact CD2-CZ3 4.1Å; Y57-W88 AromaticContact CE1-CH2 3.86Å; Y57-W88 HydrophobicContact CE1-CH2 3.86Å; Y57-W88 HydrophobicContact CE2-CH2 4.09Å; Y57-W88 AromaticContact CE2-CZ3 3.96Å; Y57-W88 HydrophobicContact CE2-CZ3 3.96Å; Y57-W88 HydrophobicContact CG-CH2 4.21Å; Y57-W88 AromaticContact CZ-CH2 3.93Å; V65-W88 HydrophobicContact CB-CZ3 4.48Å; V65-W88 HydrophobicContact CG1-CH2 3.99Å; V65-W88 HydrophobicContact CG1-CZ3 3.57Å; V65-W88 HydrophobicContact CG2-CE3 4.37Å; V65-W88 HydrophobicContact CG2-CZ3 4.04Å; Y74-W88 HydrophobicContact CD1-CD2 4.39Å; Y74-W88 AromaticContact CD1-CE3 3.29Å; Y74-W88 HydrophobicContact CD1-CE3 3.29Å; Y74-W88 AromaticContact CD1-CZ3 3.68Å; Y74-W88 HydrophobicContact CD1-CZ3 3.68Å; Y74-W88 HydrophobicContact CD2-CB 3.81Å; Y74-W88 HydrophobicContact CD2-CE3 4.3Å; Y74-W88 HydrophobicContact CE1-CD2 4.37Å; Y74-W88 AromaticContact CE1-CE3 3.47Å; Y74-W88 HydrophobicContact CE1-CE3 3.47Å; Y74-W88 VanDerWaalsContact CE1-CE3 3.47Å; Y74-W88 AromaticContact CE1-CZ3 3.72Å; Y74-W88 HydrophobicContact CE1-CZ3 3.72Å; Y74-W88 HydrophobicContact CE2-CB 4.1Å; Y74-W88 HydrophobicContact CE2-CE3 4.47Å; Y74-W88 HydrophobicContact CG-CB 4.2Å; Y74-W88 AromaticContact CG-CE3 3.74Å; Y74-W88 HydrophobicContact CG-CE3 3.74Å; D84-W88 HydrophobicContact CB-CD2 4.29Å; D84-W88 HydrophobicContact CB-CE3 4.14Å; D84-W88 HydrophobicContact CB-CH2 4.04Å; D84-W88 HydrophobicContact CB-CZ2 4.13Å; D84-W88 HydrophobicContact CB-CZ3 4.05Å; D84-W88 WeakPolarHBondContact O-CB 3.27Å; D84-W88 VanDerWaalsContact O-CG 3.25Å; D84-W88 PolarHBondContact O-N 3.04Å; W88-S90 PolarHBondContact O-N 2.84Å; W88-Q91 PolarHBondContact O-N 2.85Å; W88-Q91 VanDerWaalsContact O-N 3.14Å; W88-I94 HydrophobicContact CB-CG2 4.23Å; W88-I94 HydrophobicContact CG-CG2 4.49Å
89	N	98.7	Very high	98.3	Very high	46 Å²	46	76.8 Å²	76.8	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-67.9	-23.7	175.5	-69.9	-24.7	0	0	0	113	E73 Y74 A85 Q91	E73-N89 WeakPolarHBondContact CB-OD1 3.25Å; Y74-N89 PolarHBondContact N-OD1 2.94Å; Y74-N89 PolarHBondContact O-ND2 2.79Å; A85-N89 WeakPolarHBondContact O-CB 3.39Å; A85-N89 PolarHBondContact O-N 3.18Å; A85-N89 PolarHBondContact O-ND2 3.24Å; N89-Q91 PolarHBondContact O-N 2.99Å
90	S	98.4	Very high	98.3	Very high	84 Å²	84	72.3 Å²	72.3	59%	0.587	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.8	174.7	78.3	0	0	0	0	113.9	E86 Y87 W88 P92	E86-S90 WeakPolarHBondContact O-CB 3.38Å; E86-S90 PolarHBondContact O-N 2.95Å; E86-S90 VanDerWaalsContact O-N 3.1Å; Y87-S90 PolarHBondContact O-N 2.63Å; Y87-S90 PolarHBondContact O-OG 3.46Å; W88-S90 PolarHBondContact O-N 2.84Å; S90-P92 WeakPolarHBondContact O-CD 3.39Å
91	Q	98.4	Very high	98.3	Very high	55 Å²	55	69 Å²	69	26%	0.257	35%	0.351	S	S	.	.			trans	-107	104.3	-178.6	-74.1	174.9	85.2	0	0	110.7	Y87 W88 N89 E93 I94 L95	Y87-Q91 PolarHBondContact O-NE2 3.38Å; Y87-Q91 PolarHBondContact OH-NE2 3.18Å; W88-Q91 PolarHBondContact O-N 2.85Å; W88-Q91 VanDerWaalsContact O-N 3.14Å; N89-Q91 PolarHBondContact O-N 2.99Å; Q91-E93 VanDerWaalsContact C-N 3.27Å; Q91-E93 PolarHBondContact O-N 2.67Å; Q91-I94 HydrophobicContact CB-CB 4.21Å; Q91-I94 HydrophobicContact CB-CD1 3.93Å; Q91-I94 HydrophobicContact CB-CG1 4.02Å; Q91-I94 VanDerWaalsContact CD-CD1 3.49Å; Q91-I94 HydrophobicContact CG-CD1 4.36Å; Q91-I94 PolarHBondContact O-N 2.84Å; Q91-L95 PolarHBondContact O-N 3.18Å
92	P	97.1	Very high	98.3	Very high	97 Å²	97	69.9 Å²	69.9	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-57.9	-38.2	-176.3	-26.2	35.3	0	0	0	113.5	S90 L95 E96	S90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-L95 PolarHBondContact O-N 2.97Å; P92-E96 WeakPolarHBondContact O-CB 3.45Å; P92-E96 WeakPolarHBondContact O-CG 3.31Å; P92-E96 PolarHBondContact O-N 3Å
93	E	97.8	Very high	98.3	Very high	161 Å²	161	68.5 Å²	68.5	75%	0.752	36%	0.358	S	S	*	.	H	α-helix	trans	-61.9	-47	-179.2	-63.6	179.5	-179	0	0	111.7	Q91 L95 E96 D97	Q91-E93 VanDerWaalsContact C-N 3.27Å; Q91-E93 PolarHBondContact O-N 2.67Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.88Å; E93-E96 PolarHBondContact O-N 3.36Å; E93-D97 WeakPolarHBondContact O-CB 3.49Å; E93-D97 PolarHBondContact O-N 2.8Å
94	I	97.9	Very high	98.3	Very high	53 Å²	53	69.1 Å²	69.1	27%	0.272	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-44.2	178.3	-62	-178.2	0	0	0	110.8	Y74 W88 Q91 D97 A98	Y74-I94 HydrophobicContact CE2-CG2 4.07Å; W88-I94 HydrophobicContact CB-CG2 4.23Å; W88-I94 HydrophobicContact CG-CG2 4.49Å; Q91-I94 HydrophobicContact CB-CB 4.21Å; Q91-I94 HydrophobicContact CB-CD1 3.93Å; Q91-I94 HydrophobicContact CB-CG1 4.02Å; Q91-I94 VanDerWaalsContact CD-CD1 3.49Å; Q91-I94 HydrophobicContact CG-CD1 4.36Å; Q91-I94 PolarHBondContact O-N 2.84Å; I94-D97 PolarHBondContact O-N 3.01Å; I94-A98 WeakPolarHBondContact O-CB 3.43Å; I94-A98 PolarHBondContact O-N 2.91Å
95	L	98	Very high	98.3	Very high	17 Å²	17	72 Å²	72	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-68.9	-40.5	-175.7	-172	60.4	0	0	0	112.1	F67 G72 E73 Y74 Q91 P92 E93 R99	F67-L95 HydrophobicContact CD2-CD1 4.49Å; F67-L95 HydrophobicContact CE2-CD1 4.04Å; G72-L95 WeakPolarHBondContact O-CD1 3.36Å; E73-L95 HydrophobicContact CB-CD1 3.96Å; Y74-L95 HydrophobicContact CD2-CD1 4.44Å; Q91-L95 PolarHBondContact O-N 3.18Å; P92-L95 PolarHBondContact O-N 2.97Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.88Å; L95-R99 VanDerWaalsContact CD2-NH2 3.34Å; L95-R99 WeakPolarHBondContact O-CD 3.04Å; L95-R99 VanDerWaalsContact O-CG 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.37Å; L95-R99 PolarHBondContact O-N 2.86Å
96	E	98.2	Very high	98.3	Very high	100 Å²	100	71.6 Å²	71.6	47%	0.467	37%	0.365	S	S	.	.	H	α-helix	trans	-68.7	-39.4	175.3	-69.8	-55.9	132.2	0	0	112	P92 E93 A98 R99 A100	P92-E96 WeakPolarHBondContact O-CB 3.45Å; P92-E96 WeakPolarHBondContact O-CG 3.31Å; P92-E96 PolarHBondContact O-N 3Å; E93-E96 PolarHBondContact O-N 3.36Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-A98 PolarHBondContact O-N 2.77Å; E96-R99 PolarHBondContact O-N 3.15Å; E96-R99 IonicContact OE1-CZ 3.93Å; E96-R99 IonicContact OE1-NH1 2.97Å; E96-R99 PolarHBondContact OE1-NH1 2.76Å; E96-A100 VanDerWaalsContact O-CB 3.32Å; E96-A100 WeakPolarHBondContact O-CB 3.45Å; E96-A100 PolarHBondContact O-N 3.11Å
97	D	98.3	Very high	98.2	Very high	111 Å²	111	68.7 Å²	68.7	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-41.4	174.6	-78.5	-10.8	0	0	0	111.8	E93 I94 A100 S101	E93-D97 WeakPolarHBondContact O-CB 3.49Å; E93-D97 PolarHBondContact O-N 2.8Å; I94-D97 PolarHBondContact O-N 3.01Å; D97-A100 PolarHBondContact O-N 2.92Å; D97-S101 PolarHBondContact O-N 2.87Å; D97-S101 PolarHBondContact O-OG 3.49Å
98	A	98.2	Very high	98.2	Very high	6 Å²	6	66.9 Å²	66.9	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-41	175.4	0	0	0	0	0	112	F67 Y74 I94 E96 S101	F67-A98 HydrophobicContact CD1-CB 4.05Å; F67-A98 HydrophobicContact CD2-CB 3.77Å; F67-A98 HydrophobicContact CE1-CB 3.91Å; F67-A98 VanDerWaalsContact CE1-O 3.31Å; F67-A98 WeakPolarHBondContact CE1-O 3.35Å; F67-A98 HydrophobicContact CE2-CB 3.62Å; F67-A98 HydrophobicContact CG-CB 3.99Å; F67-A98 HydrophobicContact CZ-CB 3.7Å; Y74-A98 HydrophobicContact CE2-CB 4.11Å; I94-A98 WeakPolarHBondContact O-CB 3.43Å; I94-A98 PolarHBondContact O-N 2.91Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-A98 PolarHBondContact O-N 2.77Å; A98-S101 WeakPolarHBondContact O-CB 3.48Å; A98-S101 PolarHBondContact O-N 2.64Å
99	R	98.5	Very high	98.2	Very high	98 Å²	98	67.6 Å²	67.6	37%	0.37	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-43.4	174.1	-71.6	165.7	-179.6	171.3	0.3	111.6	F67 G72 L95 E96 S101	F67-R99 HydrophobicContact CE2-CG 4.31Å; F67-R99 HydrophobicContact CZ-CG 3.89Å; G72-R99 VanDerWaalsContact O-CZ 3.29Å; G72-R99 PolarHBondContact O-NE 2.91Å; G72-R99 PolarHBondContact O-NH2 2.81Å; L95-R99 VanDerWaalsContact CD2-NH2 3.34Å; L95-R99 WeakPolarHBondContact O-CD 3.04Å; L95-R99 VanDerWaalsContact O-CG 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.37Å; L95-R99 PolarHBondContact O-N 2.86Å; E96-R99 PolarHBondContact O-N 3.15Å; E96-R99 IonicContact OE1-CZ 3.93Å; E96-R99 IonicContact OE1-NH1 2.97Å; E96-R99 PolarHBondContact OE1-NH1 2.76Å; R99-S101 PolarHBondContact O-N 3.26Å
100	A	98.6	Very high	98.1	Very high	38 Å²	38	67.4 Å²	67.4	31%	0.314	35%	0.348	S	S	.	.	H	α-helix	trans	-67.9	-22.5	-179.6	0	0	0	0	0	113.2	E96 D97 V102 D103 T104	E96-A100 VanDerWaalsContact O-CB 3.32Å; E96-A100 WeakPolarHBondContact O-CB 3.45Å; E96-A100 PolarHBondContact O-N 3.11Å; D97-A100 PolarHBondContact O-N 2.92Å; A100-V102 PolarHBondContact O-N 3.27Å; A100-V102 VanDerWaalsContact O-N 3.08Å; A100-D103 PolarHBondContact O-N 2.91Å; A100-T104 HydrophobicContact CB-CG2 4.2Å; A100-T104 PolarHBondContact O-N 2.71Å; A100-T104 PolarHBondContact O-OG1 3.47Å; A100-T104 VanDerWaalsContact O-OG1 3.11Å
101	S	98.5	Very high	98	Very high	24 Å²	24	68.9 Å²	68.9	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-21.8	-178.6	-67.3	0	0	0	0	114.1	D97 A98 R99 D103 T104 Y105 C106	D97-S101 PolarHBondContact O-N 2.87Å; D97-S101 PolarHBondContact O-OG 3.49Å; A98-S101 WeakPolarHBondContact O-CB 3.48Å; A98-S101 PolarHBondContact O-N 2.64Å; R99-S101 PolarHBondContact O-N 3.26Å; S101-D103 VanDerWaalsContact C-N 3.25Å; S101-D103 PolarHBondContact O-N 3.1Å; S101-T104 WeakPolarHBondContact CA-OG1 3.46Å; S101-Y105 VanDerWaalsContact O-CB 3.31Å; S101-Y105 WeakPolarHBondContact O-CB 3.46Å; S101-Y105 PolarHBondContact O-N 2.92Å; S101-C106 PolarHBondContact O-N 3.41Å
102	V	98.5	Very high	97.9	Very high	18 Å²	18	69.7 Å²	69.7	11%	0.109	35%	0.351	C	S	.	.	I	π-helix	trans	-56.7	-42.8	170.2	179	0	0	0	0	111	V51 F53 S69 A100 C106 R107	V51-V102 HydrophobicContact CB-CG1 4.04Å; V51-V102 HydrophobicContact CG1-CG1 4.1Å; F53-V102 HydrophobicContact CB-CG2 3.8Å; S69-V102 VanDerWaalsContact CB-CG2 3.44Å; A100-V102 PolarHBondContact O-N 3.27Å; A100-V102 VanDerWaalsContact O-N 3.08Å; V102-C106 VanDerWaalsContact O-CB 3.3Å; V102-C106 WeakPolarHBondContact O-CB 3.44Å; V102-R107 WeakPolarHBondContact O-CG 3.33Å; V102-R107 PolarHBondContact O-N 3.35Å
103	D	98.3	Very high	97.8	Very high	91 Å²	91	66.6 Å²	66.6	49%	0.487	33%	0.332	S	S	.	.	I	π-helix	trans	-95.6	-50.8	-175.6	-63.6	-30.1	0	0	0	111.3	A100 S101 Y105 R107 H108	A100-D103 PolarHBondContact O-N 2.91Å; S101-D103 VanDerWaalsContact C-N 3.25Å; S101-D103 PolarHBondContact O-N 3.1Å; D103-Y105 VanDerWaalsContact C-N 3.31Å; D103-Y105 PolarHBondContact O-N 2.9Å; D103-R107 WeakPolarHBondContact OD1-CD 3.48Å; D103-R107 IonicContact OD1-CZ 3.76Å; D103-R107 IonicContact OD1-NE 2.65Å; D103-R107 PolarHBondContact OD1-NE 3.25Å; D103-H108 PolarHBondContact O-N 2.92Å
104	T	98.1	Very high	97.7	Very high	94 Å²	94	60.8 Å²	60.8	58%	0.577	31%	0.306	S	S	*	.	I	π-helix	trans	-69.5	-29.9	-173	62.1	0	0	0	0	112.6	A100 S101 H108	A100-T104 HydrophobicContact CB-CG2 4.2Å; A100-T104 PolarHBondContact O-N 2.71Å; A100-T104 PolarHBondContact O-OG1 3.47Å; A100-T104 VanDerWaalsContact O-OG1 3.11Å; S101-T104 WeakPolarHBondContact CA-OG1 3.46Å; T104-H108 VanDerWaalsContact O-CB 3.26Å; T104-H108 WeakPolarHBondContact O-CB 3.49Å
105	Y	97.9	Very high	97.6	Very high	109 Å²	109	66 Å²	66	43%	0.427	33%	0.326	S	S	.	.	I	π-helix	trans	-108.3	-61.2	179	-178.5	-102.2	0	0	0	111.8	F53 S101 D103 N109	F53-Y105 HydrophobicContact CE2-CD1 4.18Å; S101-Y105 VanDerWaalsContact O-CB 3.31Å; S101-Y105 WeakPolarHBondContact O-CB 3.46Å; S101-Y105 PolarHBondContact O-N 2.92Å; D103-Y105 VanDerWaalsContact C-N 3.31Å; D103-Y105 PolarHBondContact O-N 2.9Å; Y105-N109 WeakPolarHBondContact CD2-ND2 3.49Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.49Å; Y105-N109 VanDerWaalsContact O-CB 3.27Å; Y105-N109 WeakPolarHBondContact O-CB 3.31Å; Y105-N109 PolarHBondContact O-N 2.76Å; Y105-N109 PolarHBondContact O-ND2 2.97Å
106	C	98.4	Very high	97.3	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.347	C	S	.	.	I	π-helix	trans	-68.1	-54.7	-170.6	-64.1	0	0	0	0	113.1	C42 F44 V51 F53 S101 V102 N109 Y110	C42-C106 HydrophobicContact CB-CB 3.64Å; C42-C106 WeakPolarHBondContact CB-SG 3.32Å; C42-C106 WeakPolarHBondContact SG-CA 3.34Å; C42-C106 WeakPolarHBondContact SG-CB 3.3Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.26Å; F44-C106 HydrophobicContact CE1-CB 4.19Å; F44-C106 HydrophobicContact CZ-CB 4.11Å; F44-C106 WeakPolarHBondContact CZ-O 3.46Å; V51-C106 HydrophobicContact CG1-CB 3.57Å; F53-C106 VanDerWaalsContact CD2-SG 3.52Å; S101-C106 PolarHBondContact O-N 3.41Å; V102-C106 VanDerWaalsContact O-CB 3.3Å; V102-C106 WeakPolarHBondContact O-CB 3.44Å; C106-N109 PolarHBondContact O-N 2.77Å; C106-Y110 WeakPolarHBondContact O-CB 3.48Å; C106-Y110 PolarHBondContact O-N 3.31Å
107	R	98.4	Very high	97.1	Very high	63 Å²	63	68.4 Å²	68.4	24%	0.238	34%	0.337	C	S	.	.	I	π-helix	trans	-63.2	-45.9	179.5	-69.3	179.9	-164.2	-74.3	2	111.7	T48 V51 V102 D103 N109 Y110 E111	T48-R107 HydrophobicContact CG2-CG 4.42Å; T48-R107 PolarHBondContact O-NH1 2.92Å; V51-R107 HydrophobicContact CG2-CG 4.12Å; V102-R107 WeakPolarHBondContact O-CG 3.33Å; V102-R107 PolarHBondContact O-N 3.35Å; D103-R107 WeakPolarHBondContact OD1-CD 3.48Å; D103-R107 IonicContact OD1-CZ 3.76Å; D103-R107 IonicContact OD1-NE 2.65Å; D103-R107 PolarHBondContact OD1-NE 3.25Å; R107-N109 VanDerWaalsContact C-N 3.34Å; R107-N109 PolarHBondContact O-N 2.98Å; R107-Y110 WeakPolarHBondContact O-CB 3.26Å; R107-Y110 PolarHBondContact O-N 2.97Å; R107-Y110 VanDerWaalsContact O-N 3.12Å; R107-E111 WeakPolarHBondContact O-CG 3.3Å; R107-E111 PolarHBondContact O-N 2.59Å
108	H	97.4	Very high	96.9	Very high	98 Å²	98	65.9 Å²	65.9	45%	0.454	33%	0.325	S	S	.	.	H	α-helix	trans	-53	-50.2	176.8	-179.9	69.2	0	0	0	112.3	D103 T104 Y110 E111 I112	D103-H108 PolarHBondContact O-N 2.92Å; T104-H108 VanDerWaalsContact O-CB 3.26Å; T104-H108 WeakPolarHBondContact O-CB 3.49Å; H108-Y110 VanDerWaalsContact C-N 3.35Å; H108-Y110 PolarHBondContact O-N 3.39Å; H108-E111 PolarHBondContact O-N 2.97Å; H108-I112 PolarHBondContact O-N 2.7Å
109	N	97.9	Very high	96.6	Very high	56 Å²	56	73.6 Å²	73.6	30%	0.299	35%	0.353	S	S	.	.	H	α-helix	trans	-69.3	-31.7	179	-75.9	-49.3	0	0	0	113.1	Y105 C106 R107 I112 S113	Y105-N109 WeakPolarHBondContact CD2-ND2 3.49Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.49Å; Y105-N109 VanDerWaalsContact O-CB 3.27Å; Y105-N109 WeakPolarHBondContact O-CB 3.31Å; Y105-N109 PolarHBondContact O-N 2.76Å; Y105-N109 PolarHBondContact O-ND2 2.97Å; C106-N109 PolarHBondContact O-N 2.77Å; R107-N109 VanDerWaalsContact C-N 3.34Å; R107-N109 PolarHBondContact O-N 2.98Å; N109-I112 PolarHBondContact O-N 2.9Å; N109-S113 WeakPolarHBondContact O-CB 3.31Å; N109-S113 PolarHBondContact O-N 2.64Å; N109-S113 PolarHBondContact O-OG 3.29Å
110	Y	97.6	Very high	96.3	Very high	42 Å²	42	73.6 Å²	73.6	17%	0.165	35%	0.353	C	S	.	.	H	α-helix	trans	-63.7	-43.6	173.5	-171.7	-81	0	0	0	111.4	F44 G47 T48 C106 R107 H108 I112 S113 D114 V118	F44-Y110 HydrophobicContact CB-CD2 4.35Å; F44-Y110 HydrophobicContact CB-CE2 4.24Å; F44-Y110 AromaticContact CD1-CD2 3.47Å; F44-Y110 HydrophobicContact CD1-CD2 3.47Å; F44-Y110 VanDerWaalsContact CD1-CD2 3.47Å; F44-Y110 HydrophobicContact CD1-CE2 4.14Å; F44-Y110 HydrophobicContact CD1-CG 4.05Å; F44-Y110 AromaticContact CD2-CD2 3.91Å; F44-Y110 HydrophobicContact CD2-CD2 3.91Å; F44-Y110 HydrophobicContact CD2-CE2 4.42Å; F44-Y110 AromaticContact CE1-CD2 3.63Å; F44-Y110 HydrophobicContact CE1-CD2 3.63Å; F44-Y110 AromaticContact CE1-CG 3.91Å; F44-Y110 HydrophobicContact CE1-CG 3.91Å; F44-Y110 HydrophobicContact CE2-CD2 4.03Å; F44-Y110 AromaticContact CG-CD2 3.63Å; F44-Y110 HydrophobicContact CG-CD2 3.63Å; F44-Y110 HydrophobicContact CG-CE2 4.01Å; F44-Y110 AromaticContact CZ-CD2 3.9Å; F44-Y110 HydrophobicContact CZ-CD2 3.9Å; F44-Y110 HydrophobicContact CZ-CG 4.32Å; G47-Y110 WeakPolarHBondContact CA-OH 3.13Å; T48-Y110 HydrophobicContact CG2-CD1 3.38Å; T48-Y110 HydrophobicContact CG2-CE1 4.05Å; T48-Y110 HydrophobicContact CG2-CG 3.71Å; C106-Y110 WeakPolarHBondContact O-CB 3.48Å; C106-Y110 PolarHBondContact O-N 3.31Å; R107-Y110 WeakPolarHBondContact O-CB 3.26Å; R107-Y110 PolarHBondContact O-N 2.97Å; R107-Y110 VanDerWaalsContact O-N 3.12Å; H108-Y110 VanDerWaalsContact C-N 3.35Å; H108-Y110 PolarHBondContact O-N 3.39Å; Y110-I112 PolarHBondContact O-N 3.09Å; Y110-S113 CarbonylContact O-C 3.47Å; Y110-S113 PolarHBondContact O-N 3.34Å; Y110-S113 VanDerWaalsContact O-N 3.12Å; Y110-D114 HydrophobicContact CD1-CB 4.36Å; Y110-D114 HydrophobicContact CE1-CB 4.12Å; Y110-D114 WeakPolarHBondContact O-CB 3.46Å; Y110-D114 PolarHBondContact O-N 2.81Å; Y110-V118 HydrophobicContact CE2-CG2 4.1Å
111	E	96.2	Very high	96.1	Very high	116 Å²	116	78.1 Å²	78.1	54%	0.542	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-33.7	178.1	-71	174.8	-174.8	0	0	112.8	R107 H108	R107-E111 WeakPolarHBondContact O-CG 3.3Å; R107-E111 PolarHBondContact O-N 2.59Å; H108-E111 PolarHBondContact O-N 2.97Å
112	I	96.4	Very high	95.9	Very high	71 Å²	71	79.2 Å²	79.2	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-50	172.9	-65	168.2	0	0	0	109.9	H108 N109 Y110 D114 K115 F116	H108-I112 PolarHBondContact O-N 2.7Å; N109-I112 PolarHBondContact O-N 2.9Å; Y110-I112 PolarHBondContact O-N 3.09Å; I112-D114 VanDerWaalsContact C-N 3.3Å; I112-D114 PolarHBondContact O-N 2.95Å; I112-K115 WeakPolarHBondContact O-CB 3.24Å; I112-K115 PolarHBondContact O-N 2.71Å; I112-F116 HydrophobicContact CG2-CE1 4.01Å; I112-F116 WeakPolarHBondContact O-CD1 3.36Å; I112-F116 VanDerWaalsContact O-CE1 3.3Å; I112-F116 WeakPolarHBondContact O-CE1 3.1Å
113	S	95.6	Very high	95.6	Very high	33 Å²	33	83.9 Å²	83.9	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-65.7	-29.5	-177.4	-61.1	0	0	0	0	113.2	N109 Y110 K115 F116 L117 V118	N109-S113 WeakPolarHBondContact O-CB 3.31Å; N109-S113 PolarHBondContact O-N 2.64Å; N109-S113 PolarHBondContact O-OG 3.29Å; Y110-S113 CarbonylContact O-C 3.47Å; Y110-S113 PolarHBondContact O-N 3.34Å; Y110-S113 VanDerWaalsContact O-N 3.12Å; S113-K115 PolarHBondContact O-N 3.03Å; S113-F116 PolarHBondContact O-N 2.79Å; S113-L117 WeakPolarHBondContact O-CA 3.14Å; S113-L117 WeakPolarHBondContact O-CB 3.01Å; S113-L117 PolarHBondContact O-N 2.78Å; S113-V118 PolarHBondContact O-N 2.99Å
114	D	95.3	Very high	95.5	Very high	38 Å²	38	80.5 Å²	80.5	20%	0.203	37%	0.371	C	S	.	.	I	π-helix	trans	-60	-31.2	178.9	-175.8	57.9	0	0	0	111.8	Y110 I112 F116 V118 R119	Y110-D114 HydrophobicContact CD1-CB 4.36Å; Y110-D114 HydrophobicContact CE1-CB 4.12Å; Y110-D114 WeakPolarHBondContact O-CB 3.46Å; Y110-D114 PolarHBondContact O-N 2.81Å; I112-D114 VanDerWaalsContact C-N 3.3Å; I112-D114 PolarHBondContact O-N 2.95Å; D114-F116 VanDerWaalsContact C-N 3.31Å; D114-F116 PolarHBondContact O-N 2.84Å; D114-V118 HydrophobicContact CB-CG2 4.46Å; D114-R119 WeakPolarHBondContact O-CD 3.35Å; D114-R119 VanDerWaalsContact O-CG 3.23Å; D114-R119 WeakPolarHBondContact O-CG 3.36Å; D114-R119 PolarHBondContact O-NE 3.18Å; D114-R119 IonicContact OD1-NE 3.72Å; D114-R119 IonicContact OD2-CZ 2.67Å; D114-R119 IonicContact OD2-NE 3.42Å; D114-R119 PolarHBondContact OD2-NE 3.19Å; D114-R119 IonicContact OD2-NH2 3.93Å; D114-R119 PolarHBondContact OD2-NH2 3.31Å
115	K	94.8	Very high	95.5	Very high	162 Å²	162	79.3 Å²	79.3	70%	0.704	36%	0.364	S	S	*	.	I	π-helix	trans	-68.6	-27.8	-177.3	-62	173.6	-174.6	174	0	113.2	I112 S113	I112-K115 WeakPolarHBondContact O-CB 3.24Å; I112-K115 PolarHBondContact O-N 2.71Å; S113-K115 PolarHBondContact O-N 3.03Å
116	F	92.9	Very high	95.5	Very high	120 Å²	120	75 Å²	75	53%	0.526	35%	0.349	S	S	.	.	I	π-helix	trans	-141.7	-27.4	-172.3	67.7	-81.6	0	0	0	116	I112 S113 D114 R120	I112-F116 HydrophobicContact CG2-CE1 4.01Å; I112-F116 WeakPolarHBondContact O-CD1 3.36Å; I112-F116 VanDerWaalsContact O-CE1 3.3Å; I112-F116 WeakPolarHBondContact O-CE1 3.1Å; S113-F116 PolarHBondContact O-N 2.79Å; D114-F116 VanDerWaalsContact C-N 3.31Å; D114-F116 PolarHBondContact O-N 2.84Å; F116-R120 WeakPolarHBondContact O-CB 3.48Å
117	L	94.2	Very high	95.5	Very high	48 Å²	48	77.9 Å²	77.9	25%	0.251	37%	0.367	S	S	.	.	I	π-helix	trans	-93.1	-51.8	-180	-63.2	179.6	0	0	0	112.7	S113 R119 R120 W180	S113-L117 WeakPolarHBondContact O-CA 3.14Å; S113-L117 WeakPolarHBondContact O-CB 3.01Å; S113-L117 PolarHBondContact O-N 2.78Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.39Å; L117-R120 VanDerWaalsContact O-CB 3.28Å; L117-R120 WeakPolarHBondContact O-CB 3.05Å; L117-R120 PolarHBondContact O-N 2.8Å; L117-W180 HydrophobicContact CD1-CH2 4.27Å; L117-W180 HydrophobicContact CD2-CH2 3.98Å; L117-W180 HydrophobicContact CD2-CZ3 3.97Å
118	V	93.4	Very high	95.4	Very high	58 Å²	58	75.3 Å²	75.3	35%	0.352	36%	0.358	S	S	.	.	I	π-helix	trans	-64	-40.1	-175.3	180	0	0	0	0	110.9	Y110 S113 D114 R120 R121	Y110-V118 HydrophobicContact CE2-CG2 4.1Å; S113-V118 PolarHBondContact O-N 2.99Å; D114-V118 HydrophobicContact CB-CG2 4.46Å; V118-R120 VanDerWaalsContact C-N 3.33Å; V118-R121 PolarHBondContact O-NH1 2.87Å
119	R	90.8	Very high	95.2	Very high	168 Å²	168	75.2 Å²	75.2	63%	0.634	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.1	-179.7	-62.4	175.4	-168.2	-157.7	3.7	113.8	D114 L117 R121	D114-R119 WeakPolarHBondContact O-CD 3.35Å; D114-R119 VanDerWaalsContact O-CG 3.23Å; D114-R119 WeakPolarHBondContact O-CG 3.36Å; D114-R119 PolarHBondContact O-NE 3.18Å; D114-R119 IonicContact OD1-NE 3.72Å; D114-R119 IonicContact OD2-CZ 2.67Å; D114-R119 IonicContact OD2-NE 3.42Å; D114-R119 PolarHBondContact OD2-NE 3.19Å; D114-R119 IonicContact OD2-NH2 3.93Å; D114-R119 PolarHBondContact OD2-NH2 3.31Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.39Å; R119-R121 PolarHBondContact O-N 2.99Å
120	R	93.5	Very high	94.8	Very high	99 Å²	99	74.3 Å²	74.3	37%	0.374	35%	0.352	S	S	.	.			trans	-59.4	129.6	-179.6	-177.1	178.1	172.8	83.9	-1.3	109.9	F116 L117 V118 Y150	F116-R120 WeakPolarHBondContact O-CB 3.48Å; L117-R120 VanDerWaalsContact O-CB 3.28Å; L117-R120 WeakPolarHBondContact O-CB 3.05Å; L117-R120 PolarHBondContact O-N 2.8Å; V118-R120 VanDerWaalsContact C-N 3.33Å; R120-Y150 HydrophobicContact CB-CD1 4Å; R120-Y150 HydrophobicContact CB-CE1 3.97Å; R120-Y150 HydrophobicContact CG-CD1 3.82Å; R120-Y150 HydrophobicContact CG-CE1 4.2Å
121	R	93.2	Very high	94.3	Very high	133 Å²	133	75.6 Å²	75.6	50%	0.502	36%	0.364	S	S	.	.			trans	-132.1	135.7	170.6	-63.9	-61.2	-179	-85.5	1.5	108.9	V118 R119 Y150 E204	V118-R121 PolarHBondContact O-NH1 2.87Å; R119-R121 PolarHBondContact O-N 2.99Å; R121-Y150 WeakPolarHBondContact CA-O 3.45Å; R121-E204 IonicContact CZ-OE1 3.48Å; R121-E204 IonicContact NE-OE1 3.82Å; R121-E204 IonicContact NE-OE2 3.12Å; R121-E204 IonicContact NH2-OE1 3.44Å
122	V	94.4	Very high	93.3	Very high	47 Å²	47	76.5 Å²	76.5	29%	0.285	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-130.2	121.7	170.2	-170.6	0	0	0	0	106.7	D148 F149 Y150	V122-D148 WeakPolarHBondContact CG1-O 3.42Å; V122-F149 WeakPolarHBondContact O-CA 3.15Å; V122-Y150 PolarHBondContact N-O 2.93Å; V122-Y150 PolarHBondContact O-N 3.37Å; V122-Y150 VanDerWaalsContact O-N 3.11Å
123	E	93.7	Very high	91.7	Very high	115 Å²	115	80 Å²	80	54%	0.537	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-70.2	140.1	-177.7	-61.8	-173.9	145.5	0	0	110.6	R214	E123-R214 IonicContact OE1-NH1 3.85Å; E123-R214 IonicContact OE2-CZ 2.68Å; E123-R214 IonicContact OE2-NH1 3.71Å; E123-R214 PolarHBondContact OE2-NH1 3.33Å; E123-R214 IonicContact OE2-NH2 3.73Å; E123-R214 PolarHBondContact OE2-NH2 2.65Å
124	P	96.4	Very high	89.9	Confident	20 Å²	20	86 Å²	86	13%	0.13	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-69.6	147.3	178.1	25.2	-30.9	0	0	0	112.6	V146 S147 F149 I154 R214	P124-V146 HydrophobicContact CB-CG1 3.6Å; P124-V146 HydrophobicContact CG-CG1 4.49Å; P124-S147 WeakPolarHBondContact CA-O 3.43Å; P124-F149 HydrophobicContact CB-CB 3.77Å; P124-F149 HydrophobicContact CB-CD1 4.16Å; P124-F149 HydrophobicContact CB-CG 4.24Å; P124-F149 HydrophobicContact CG-CB 4.44Å; P124-I154 HydrophobicContact CB-CD1 4.12Å; P124-I154 HydrophobicContact CG-CD1 4.09Å; P124-R214 HydrophobicContact CG-CB 4.16Å; P124-R214 HydrophobicContact CG-CG 3.96Å
125	T	96.9	Very high	87.9	Confident	69 Å²	69	89.7 Å²	89.7	42%	0.423	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.3	158.9	-56.8	0	0	0	0	108.2	V146 S147	T125-V146 WeakPolarHBondContact O-CA 3.36Å; T125-S147 PolarHBondContact N-O 2.98Å; T125-S147 PolarHBondContact O-N 3.14Å
126	V	98.1	Very high	86.3	Confident	18 Å²	18	84.9 Å²	84.9	11%	0.109	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.6	177.7	-176.4	0	0	0	0	108.1	S145 V146 C200 S202 R214 D216	V126-S145 WeakPolarHBondContact CA-O 3.35Å; V126-V146 HydrophobicContact CG2-CG1 4.31Å; V126-V146 HydrophobicContact CG2-CG2 4.4Å; V126-C200 HydrophobicContact CG1-CB 4.41Å; V126-S202 VanDerWaalsContact CG2-OG 3.25Å; V126-S202 WeakPolarHBondContact CG2-OG 3.47Å; V126-R214 HydrophobicContact CG2-CB 3.68Å; V126-D216 HydrophobicContact CB-CB 4.41Å; V126-D216 HydrophobicContact CG1-CB 4.04Å; V126-D216 WeakPolarHBondContact O-CB 3.24Å
127	T	97.6	Very high	84.4	Confident	62 Å²	62	87.1 Å²	87.1	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.3	177.2	-52	0	0	0	0	109.9	Y129 S145 D216	T127-Y129 HydrophobicContact CG2-CD1 4.21Å; T127-S145 PolarHBondContact N-O 2.84Å; T127-S145 PolarHBondContact O-N 2.77Å; T127-D216 WeakPolarHBondContact CA-OD2 3.41Å
128	V	96.8	Very high	82.8	Confident	8 Å²	8	92 Å²	92	5%	0.048	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.8	-178.3	-174.9	0	0	0	0	108.8	V143 C144 W158 C200 D216 L218	V128-V143 WeakPolarHBondContact CA-O 3.14Å; V128-C144 HydrophobicContact CG2-CB 4.49Å; V128-W158 HydrophobicContact CG1-CH2 3.51Å; V128-W158 HydrophobicContact CG1-CZ3 3.77Å; V128-C200 HydrophobicContact CG2-CB 3.51Å; V128-D216 HydrophobicContact CB-CB 4.49Å; V128-D216 HydrophobicContact CG2-CB 3.87Å; V128-D216 PolarHBondContact N-OD2 3.12Å; V128-L218 HydrophobicContact CB-CD1 4.31Å; V128-L218 HydrophobicContact CB-CG 4.02Å; V128-L218 HydrophobicContact CG1-CB 4.2Å; V128-L218 HydrophobicContact CG1-CD1 3.38Å; V128-L218 HydrophobicContact CG1-CG 3.45Å; V128-L218 VanDerWaalsContact CG1-CG 3.45Å; V128-L218 WeakPolarHBondContact O-CD2 3.07Å
129	Y	92.7	Very high	81.4	Confident	97 Å²	97	95.4 Å²	95.4	38%	0.38	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.3	179.3	58.3	-88.2	0	0	0	111.8	T127 V143	T127-Y129 HydrophobicContact CG2-CD1 4.21Å; Y129-V143 HydrophobicContact CD2-CB 4.16Å; Y129-V143 HydrophobicContact CD2-CG2 4.44Å; Y129-V143 HydrophobicContact CE1-CB 4.2Å; Y129-V143 HydrophobicContact CE1-CG1 4.13Å; Y129-V143 HydrophobicContact CE2-CB 3.74Å; Y129-V143 HydrophobicContact CE2-CG1 4.12Å; Y129-V143 HydrophobicContact CE2-CG2 3.96Å; Y129-V143 PolarHBondContact N-O 2.8Å; Y129-V143 PolarHBondContact O-N 3.48Å
130	P	90.8	Very high	80.7	Confident	37 Å²	37	88 Å²	88	24%	0.24	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	147.9	172	33	-34.5	0	0	0	110.7	K132 L142	P130-K132 VanDerWaalsContact C-N 3.3Å; P130-L142 HydrophobicContact CB-CD2 4.05Å
131	T	85.7	Confident	80.5	Confident	69 Å²	69	86 Å²	86	42%	0.423	44%	0.437	S	S	.	.	S	Bend	trans	-70.1	-26.8	173.5	47.7	0	0	0	0	113.5	L141 V143	T131-L141 HydrophobicContact CG2-CB 3.93Å; T131-L141 HydrophobicContact CG2-CD2 4.01Å; T131-L141 HydrophobicContact CG2-CG 4.23Å; T131-L141 WeakPolarHBondContact CG2-O 3.47Å; T131-L141 PolarHBondContact N-O 2.78Å; T131-L141 WeakPolarHBondContact OG1-CB 3.41Å; T131-L141 PolarHBondContact OG1-O 3.42Å; T131-V143 HydrophobicContact CG2-CG2 3.47Å; T131-V143 VanDerWaalsContact CG2-CG2 3.47Å
132	K	76.4	Confident	80.5	Confident	134 Å²	134	79.7 Å²	79.7	58%	0.583	41%	0.414	S	S	*	.			trans	-125.9	142.2	179.8	-63.3	-180	-176	174	0	110	P130	P130-K132 VanDerWaalsContact C-N 3.3Å
133	T	62.1	Low	80.6	Confident	145 Å²	145	77.8 Å²	77.8	89%	0.89	40%	0.402	S	S	*	.			trans	-95.5	0.7	178.8	46.3	0	0	0	0	113.8
134	Q	58.7	Low	80.8	Confident	159 Å²	159	72.3 Å²	72.3	74%	0.743	38%	0.376	S	S	*	.	S	Bend	trans	-94.6	157.8	-173.9	-78.7	-179.2	5	0	0	113.8	L136	Q134-L136 PolarHBondContact O-N 3.4Å
135	P	53.9	Low	80.9	Confident	116 Å²	116	72.4 Å²	72.4	75%	0.753	38%	0.378	S	S	*	.			trans	-64.2	122.4	-166.7	-18	30.9	0	0	0	114	E137	P135-E137 VanDerWaalsContact C-N 3.29Å; P135-E137 PolarHBondContact O-N 3.04Å
136	L	60.1	Low	81	Confident	61 Å²	61	69.1 Å²	69.1	32%	0.319	36%	0.357	S	S	.	.	S	Bend	trans	6.5	29.7	152.9	-62.5	165.4	0	0	0	123.1	Q134 P192	Q134-L136 PolarHBondContact O-N 3.4Å; L136-P192 HydrophobicContact CD2-CB 3.86Å; L136-P192 HydrophobicContact CD2-CG 4.1Å; L136-P192 WeakPolarHBondContact CD2-O 3.45Å
137	E	54	Low	80.9	Confident	166 Å²	166	69.3 Å²	69.3	78%	0.776	36%	0.36	S	S	*	.	S	Bend	trans	-102.7	-11.6	179.9	-67.2	-161.1	162.9	0	0	115.9	P135	P135-E137 VanDerWaalsContact C-N 3.29Å; P135-E137 PolarHBondContact O-N 3.04Å
138	H	59.5	Low	80.9	Confident	150 Å²	150	69.9 Å²	69.9	69%	0.694	36%	0.36	S	S	*	.	S	Bend	trans	-138.3	159.1	-179.3	-63.6	78	0	0	0	111.7	N140	H138-N140 PolarHBondContact O-N 3.46Å; H138-N140 VanDerWaalsContact O-N 3.08Å
139	H	65.3	Low	80.9	Confident	130 Å²	130	69.7 Å²	69.7	60%	0.602	36%	0.359	S	S	*	.			trans	-37.4	116.8	174.5	-68.3	-82.2	0	0	0	111.2	E189	H139-E189 HydrophobicContact CB-CG 4.34Å; H139-E189 IonicContact CG-OE1 3.72Å; H139-E189 IonicContact ND1-OE1 3.74Å
140	N	75.8	Confident	81	Confident	14 Å²	14	67 Å²	67	8%	0.075	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.6	179.9	-156.8	-9.6	0	0	0	108.9	H138 T190 P192	H138-N140 PolarHBondContact O-N 3.46Å; H138-N140 VanDerWaalsContact O-N 3.08Å; N140-T190 WeakPolarHBondContact CA-O 3.49Å; N140-T190 PolarHBondContact N-O 3.04Å; N140-T190 PolarHBondContact O-N 2.86Å; N140-P192 HydrophobicContact CB-CG 4.33Å
141	L	88.6	Confident	81.2	Confident	56 Å²	56	66.8 Å²	66.8	29%	0.293	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.9	175.1	-166.6	70.3	0	0	0	107.5	T131 M187 E189	T131-L141 HydrophobicContact CG2-CB 3.93Å; T131-L141 HydrophobicContact CG2-CD2 4.01Å; T131-L141 HydrophobicContact CG2-CG 4.23Å; T131-L141 WeakPolarHBondContact CG2-O 3.47Å; T131-L141 PolarHBondContact N-O 2.78Å; T131-L141 WeakPolarHBondContact OG1-CB 3.41Å; T131-L141 PolarHBondContact OG1-O 3.42Å; L141-M187 HydrophobicContact CD1-CB 3.79Å; L141-M187 HydrophobicContact CD2-CB 4.23Å; L141-M187 HydrophobicContact CD2-CG 4.31Å; L141-M187 HydrophobicContact CD2-SD 3.92Å; L141-M187 HydrophobicContact CG-CB 3.98Å; L141-M187 HydrophobicContact CG-CG 4.47Å; L141-E189 HydrophobicContact CD1-CB 4.24Å
142	L	93.6	Very high	81.6	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132	170.8	-53.7	-175.4	0	0	0	108.4	P130 W158 M187 L188 T190 Y198 L218 F220	P130-L142 HydrophobicContact CB-CD2 4.05Å; L142-W158 HydrophobicContact CB-CH2 3.73Å; L142-W158 HydrophobicContact CB-CZ2 4.18Å; L142-W158 HydrophobicContact CB-CZ3 4.5Å; L142-M187 CarbonylContact O-C 3.59Å; L142-M187 WeakPolarHBondContact O-CA 3.41Å; L142-L188 HydrophobicContact CB-CB 4.49Å; L142-L188 PolarHBondContact N-O 3.01Å; L142-L188 PolarHBondContact O-N 3.46Å; L142-T190 HydrophobicContact CD1-CG2 3.78Å; L142-T190 HydrophobicContact CG-CG2 3.99Å; L142-Y198 HydrophobicContact CD1-CD1 3.72Å; L142-Y198 HydrophobicContact CD1-CD2 3.99Å; L142-Y198 HydrophobicContact CD1-CE1 4.21Å; L142-Y198 HydrophobicContact CD1-CE2 4.47Å; L142-Y198 HydrophobicContact CD1-CG 3.59Å; L142-L218 HydrophobicContact CD2-CD1 4.26Å; L142-F220 HydrophobicContact CD1-CE2 4.23Å; L142-F220 HydrophobicContact CD1-CZ 4.49Å; L142-F220 HydrophobicContact CD2-CE2 4.34Å; L142-F220 HydrophobicContact CD2-CZ 3.8Å
143	V	96.2	Very high	82.4	Confident	7 Å²	7	60 Å²	60	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.5	-179	-172.6	0	0	0	0	108.8	V128 Y129 T131 L185 M187	V128-V143 WeakPolarHBondContact CA-O 3.14Å; Y129-V143 HydrophobicContact CD2-CB 4.16Å; Y129-V143 HydrophobicContact CD2-CG2 4.44Å; Y129-V143 HydrophobicContact CE1-CB 4.2Å; Y129-V143 HydrophobicContact CE1-CG1 4.13Å; Y129-V143 HydrophobicContact CE2-CB 3.74Å; Y129-V143 HydrophobicContact CE2-CG1 4.12Å; Y129-V143 HydrophobicContact CE2-CG2 3.96Å; Y129-V143 PolarHBondContact N-O 2.8Å; Y129-V143 PolarHBondContact O-N 3.48Å; T131-V143 HydrophobicContact CG2-CG2 3.47Å; T131-V143 VanDerWaalsContact CG2-CG2 3.47Å; V143-L185 HydrophobicContact CG1-CB 4.45Å; V143-L185 HydrophobicContact CG1-CD2 4.29Å; V143-M187 HydrophobicContact CG1-CG 4.31Å; V143-M187 HydrophobicContact CG2-CG 4.29Å
144	C	97.9	Very high	84	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107.7	162.3	178.9	0	0	0	0	108.4	V128 W158 L185 V186 C200	V128-C144 HydrophobicContact CG2-CB 4.49Å; C144-W158 HydrophobicContact CB-CH2 4.12Å; C144-W158 HydrophobicContact CB-CZ2 3.46Å; C144-W158 VanDerWaalsContact CB-CZ2 3.46Å; C144-L185 WeakPolarHBondContact O-CA 3.44Å; C144-V186 HydrophobicContact CB-CB 4.47Å; C144-V186 VanDerWaalsContact CB-O 3.29Å; C144-V186 WeakPolarHBondContact CB-O 3.2Å; C144-V186 PolarHBondContact N-O 3.06Å; C144-V186 PolarHBondContact O-N 3.4Å; C144-C200 HydrophobicContact CB-CB 3.51Å; C144-C200 WeakPolarHBondContact CB-SG 3.47Å; C144-C200 WeakPolarHBondContact SG-CB 3.27Å; C144-C200 CovalentContact SG-SG 2.01Å; C144-C200 PolarHBondContact SG-SG 2.67Å
145	S	98.1	Very high	85.7	Confident	22 Å²	22	49.3 Å²	49.3	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.1	172.9	-178.1	0	0	0	0	109.2	V126 T127	V126-S145 WeakPolarHBondContact CA-O 3.35Å; T127-S145 PolarHBondContact N-O 2.84Å; T127-S145 PolarHBondContact O-N 2.77Å
146	V	98.2	Very high	87.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	110.1	174.3	-170.7	0	0	0	0	107.5	P124 T125 V126 F149 I154 V156 Q183 T184	P124-V146 HydrophobicContact CB-CG1 3.6Å; P124-V146 HydrophobicContact CG-CG1 4.49Å; T125-V146 WeakPolarHBondContact O-CA 3.36Å; V126-V146 HydrophobicContact CG2-CG1 4.31Å; V126-V146 HydrophobicContact CG2-CG2 4.4Å; V146-F149 HydrophobicContact CB-CE1 4.42Å; V146-F149 HydrophobicContact CG1-CD1 3.98Å; V146-F149 HydrophobicContact CG1-CE1 3.97Å; V146-F149 WeakPolarHBondContact O-CE1 3.28Å; V146-I154 HydrophobicContact CG1-CD1 3.56Å; V146-V156 HydrophobicContact CG2-CG1 4.03Å; V146-V156 HydrophobicContact CG2-CG2 3.91Å; V146-Q183 CarbonylContact O-C 3.6Å; V146-Q183 VanDerWaalsContact O-CA 3.26Å; V146-Q183 WeakPolarHBondContact O-CA 3.47Å; V146-T184 HydrophobicContact CB-CG2 3.95Å; V146-T184 HydrophobicContact CG2-CG2 4.48Å; V146-T184 PolarHBondContact N-O 3.14Å; V146-T184 PolarHBondContact O-N 3.1Å
147	S	97.8	Very high	89.4	Confident	22 Å²	22	46 Å²	46	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	168.3	-171.9	67.3	0	0	0	0	112.7	P124 T125 F149	P124-S147 WeakPolarHBondContact CA-O 3.43Å; T125-S147 PolarHBondContact N-O 2.98Å; T125-S147 PolarHBondContact O-N 3.14Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 2.86Å
148	D	96.6	Very high	91.5	Very high	74 Å²	74	38.1 Å²	38.1	40%	0.396	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.2	28.6	167	-48.6	-56.3	0	0	0	115.3	V122 F182	V122-D148 WeakPolarHBondContact CG1-O 3.42Å; D148-F182 PolarHBondContact N-O 2.69Å
149	F	96.3	Very high	93.3	Very high	4 Å²	4	33 Å²	33	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	155.8	-177	64.5	-88.3	0	0	0	114.1	V122 P124 V146 S147 P151 I154 L174 T181 F182 T184	V122-F149 WeakPolarHBondContact O-CA 3.15Å; P124-F149 HydrophobicContact CB-CB 3.77Å; P124-F149 HydrophobicContact CB-CD1 4.16Å; P124-F149 HydrophobicContact CB-CG 4.24Å; P124-F149 HydrophobicContact CG-CB 4.44Å; V146-F149 HydrophobicContact CB-CE1 4.42Å; V146-F149 HydrophobicContact CG1-CD1 3.98Å; V146-F149 HydrophobicContact CG1-CE1 3.97Å; V146-F149 WeakPolarHBondContact O-CE1 3.28Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 2.86Å; F149-P151 WeakPolarHBondContact CD2-O 3.44Å; F149-I154 HydrophobicContact CD1-CD1 4.03Å; F149-I154 HydrophobicContact CD2-CB 4.26Å; F149-I154 HydrophobicContact CD2-CD1 3.89Å; F149-I154 HydrophobicContact CD2-CG2 4.49Å; F149-I154 HydrophobicContact CE1-CD1 4.07Å; F149-I154 HydrophobicContact CE2-CB 3.77Å; F149-I154 HydrophobicContact CE2-CD1 3.94Å; F149-I154 HydrophobicContact CE2-CG2 3.57Å; F149-I154 HydrophobicContact CG-CD1 3.95Å; F149-I154 HydrophobicContact CZ-CB 4.22Å; F149-I154 HydrophobicContact CZ-CD1 4.04Å; F149-I154 HydrophobicContact CZ-CG2 3.6Å; F149-L174 HydrophobicContact CE2-CD1 3.78Å; F149-L174 HydrophobicContact CZ-CD1 3.6Å; F149-T181 CarbonylContact O-C 3.56Å; F149-T181 WeakPolarHBondContact O-CA 3.42Å; F149-F182 VanDerWaalsContact CD1-O 3.29Å; F149-F182 WeakPolarHBondContact CD1-O 3.3Å; F149-F182 HydrophobicContact CD2-CB 4.06Å; F149-F182 HydrophobicContact CE1-CB 4.21Å; F149-F182 WeakPolarHBondContact CE1-O 3.37Å; F149-F182 HydrophobicContact CE2-CB 3.62Å; F149-F182 HydrophobicContact CE2-CG 4.48Å; F149-F182 HydrophobicContact CZ-CB 3.69Å; F149-F182 PolarHBondContact N-O 3.33Å; F149-F182 PolarHBondContact O-N 3.38Å; F149-T184 HydrophobicContact CE1-CG2 4.36Å; F149-T184 HydrophobicContact CZ-CG2 4.32Å
150	Y	95.7	Very high	94.7	Very high	42 Å²	42	29.9 Å²	29.9	17%	0.165	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-152.5	136.1	172.2	-171.3	-86.4	0	0	0	110.3	R120 R121 V122 W180 F182	R120-Y150 HydrophobicContact CB-CD1 4Å; R120-Y150 HydrophobicContact CB-CE1 3.97Å; R120-Y150 HydrophobicContact CG-CD1 3.82Å; R120-Y150 HydrophobicContact CG-CE1 4.2Å; R121-Y150 WeakPolarHBondContact CA-O 3.45Å; V122-Y150 PolarHBondContact N-O 2.93Å; V122-Y150 PolarHBondContact O-N 3.37Å; V122-Y150 VanDerWaalsContact O-N 3.11Å; Y150-W180 WeakPolarHBondContact CD2-O 3.49Å; Y150-W180 AromaticContact CE2-CE3 3.91Å; Y150-W180 HydrophobicContact CE2-CE3 3.91Å; Y150-W180 AromaticContact CZ-CE3 3.96Å; Y150-F182 AromaticContact CD2-CD2 4Å; Y150-F182 HydrophobicContact CD2-CD2 4Å; Y150-F182 AromaticContact CD2-CE2 3.6Å; Y150-F182 HydrophobicContact CD2-CE2 3.6Å; Y150-F182 AromaticContact CE2-CE2 3.81Å; Y150-F182 HydrophobicContact CE2-CE2 3.81Å
151	P	95.1	Very high	95.6	Very high	31 Å²	31	33.9 Å²	33.9	20%	0.201	17%	0.172	C	C	.	.	S	Bend	cis	-83.6	-176.8	4.9	6.5	15.1	0	0	0	111.3	F149 N153	F149-P151 WeakPolarHBondContact CD2-O 3.44Å; P151-N153 VanDerWaalsContact CB-OD1 3.24Å; P151-N153 WeakPolarHBondContact CB-OD1 3.45Å; P151-N153 WeakPolarHBondContact CD-OD1 3.23Å; P151-N153 WeakPolarHBondContact CG-OD1 3.4Å; P151-N153 PolarHBondContact O-N 3.33Å
152	G	94.8	Very high	95.8	Very high	12 Å²	12	34.2 Å²	34.2	12%	0.124	19%	0.189	C	C	.	.	S	Bend	trans	-72.5	-1	-176.6	0	0	0	0	0	116	I154	G152-I154 VanDerWaalsContact C-N 3.27Å; G152-I154 PolarHBondContact O-N 2.86Å
153	N	93.1	Very high	95.9	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	22%	0.222	S	C	.	.			trans	-81.3	68	-177.2	58.8	-54.3	0	0	0	112.1	P151 E204 R205	P151-N153 VanDerWaalsContact CB-OD1 3.24Å; P151-N153 WeakPolarHBondContact CB-OD1 3.45Å; P151-N153 WeakPolarHBondContact CD-OD1 3.23Å; P151-N153 WeakPolarHBondContact CG-OD1 3.4Å; P151-N153 PolarHBondContact O-N 3.33Å; N153-E204 WeakPolarHBondContact ND2-CG 3.43Å; N153-E204 PolarHBondContact ND2-OE1 2.94Å; N153-E204 WeakPolarHBondContact O-CA 3.39Å; N153-E204 WeakPolarHBondContact O-CG 3.3Å; N153-R205 PolarHBondContact O-N 3.27Å
154	I	94	Very high	95.9	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	153.9	177.7	-159.1	159	0	0	0	111.7	P124 V146 F149 G152 V156 T184 W203 R205	P124-I154 HydrophobicContact CB-CD1 4.12Å; P124-I154 HydrophobicContact CG-CD1 4.09Å; V146-I154 HydrophobicContact CG1-CD1 3.56Å; F149-I154 HydrophobicContact CD1-CD1 4.03Å; F149-I154 HydrophobicContact CD2-CB 4.26Å; F149-I154 HydrophobicContact CD2-CD1 3.89Å; F149-I154 HydrophobicContact CD2-CG2 4.49Å; F149-I154 HydrophobicContact CE1-CD1 4.07Å; F149-I154 HydrophobicContact CE2-CB 3.77Å; F149-I154 HydrophobicContact CE2-CD1 3.94Å; F149-I154 HydrophobicContact CE2-CG2 3.57Å; F149-I154 HydrophobicContact CG-CD1 3.95Å; F149-I154 HydrophobicContact CZ-CB 4.22Å; F149-I154 HydrophobicContact CZ-CD1 4.04Å; F149-I154 HydrophobicContact CZ-CG2 3.6Å; G152-I154 VanDerWaalsContact C-N 3.27Å; G152-I154 PolarHBondContact O-N 2.86Å; I154-V156 HydrophobicContact CG1-CG2 4.25Å; I154-V156 HydrophobicContact CG2-CG2 4.42Å; I154-T184 HydrophobicContact CG2-CG2 4.46Å; I154-W203 CarbonylContact C-O 3.6Å; I154-R205 PolarHBondContact O-NE 3.24Å
155	E	94.6	Very high	95.8	Very high	56 Å²	56	46.2 Å²	46.2	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.1	165.5	-173.6	169.3	-175	0	0	108.3	R157 S202 W203 R205	E155-R157 HydrophobicContact CG-CG 4.42Å; E155-R157 IonicContact OE1-CZ 3.46Å; E155-R157 IonicContact OE1-NE 2.8Å; E155-R157 PolarHBondContact OE1-NE 2.64Å; E155-R157 IonicContact OE1-NH2 3.63Å; E155-R157 PolarHBondContact OE1-NH2 3.22Å; E155-R157 IonicContact OE2-NH2 3.88Å; E155-S202 CarbonylContact O-C 3.52Å; E155-S202 WeakPolarHBondContact O-CA 3.36Å; E155-W203 HydrophobicContact CB-CD2 4.46Å; E155-W203 HydrophobicContact CB-CZ2 4.39Å; E155-W203 HydrophobicContact CG-CZ2 3.81Å; E155-W203 PolarHBondContact N-O 2.88Å; E155-W203 PolarHBondContact O-N 2.89Å; E155-W203 PolarHBondContact OE2-NE1 2.03Å; E155-R205 HydrophobicContact CB-CG 3.78Å
156	V	96.5	Very high	95.7	Very high	27 Å²	27	52.7 Å²	52.7	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.4	-177.7	-177	0	0	0	0	108	V146 I154 T184 V186 C200 S201	V146-V156 HydrophobicContact CG2-CG1 4.03Å; V146-V156 HydrophobicContact CG2-CG2 3.91Å; I154-V156 HydrophobicContact CG1-CG2 4.25Å; I154-V156 HydrophobicContact CG2-CG2 4.42Å; V156-T184 HydrophobicContact CG2-CG2 4.14Å; V156-V186 HydrophobicContact CB-CG2 3.84Å; V156-V186 HydrophobicContact CG1-CB 3.98Å; V156-V186 HydrophobicContact CG1-CG1 4.43Å; V156-V186 HydrophobicContact CG1-CG2 3.66Å; V156-V186 HydrophobicContact CG2-CG2 4.36Å; V156-C200 WeakPolarHBondContact CG1-SG 3.42Å; V156-S201 CarbonylContact C-O 3.59Å; V156-S201 WeakPolarHBondContact CA-O 3.46Å
157	R	96.6	Very high	95.5	Very high	82 Å²	82	57.9 Å²	57.9	31%	0.309	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148	179.8	-60.1	-160.9	-163	159.8	4.5	111.8	E155 F159 E164 S201 W203	E155-R157 HydrophobicContact CG-CG 4.42Å; E155-R157 IonicContact OE1-CZ 3.46Å; E155-R157 IonicContact OE1-NE 2.8Å; E155-R157 PolarHBondContact OE1-NE 2.64Å; E155-R157 IonicContact OE1-NH2 3.63Å; E155-R157 PolarHBondContact OE1-NH2 3.22Å; E155-R157 IonicContact OE2-NH2 3.88Å; R157-F159 HydrophobicContact CB-CE2 3.78Å; R157-F159 HydrophobicContact CB-CZ 4.18Å; R157-E164 VanDerWaalsContact CD-CD 3.46Å; R157-E164 WeakPolarHBondContact CD-OE1 3.48Å; R157-E164 IonicContact CZ-OE2 3.11Å; R157-E164 IonicContact NE-OE1 2.71Å; R157-E164 IonicContact NH1-OE1 3.15Å; R157-E164 IonicContact NH1-OE2 2.63Å; R157-E164 PolarHBondContact NH1-OE2 2.7Å; R157-S201 PolarHBondContact N-O 3.45Å; R157-S201 PolarHBondContact O-N 2.84Å; R157-W203 HydrophobicContact CB-CH2 3.74Å; R157-W203 HydrophobicContact CB-CZ3 4.25Å; R157-W203 HydrophobicContact CG-CH2 3.42Å; R157-W203 VanDerWaalsContact CG-CH2 3.42Å; R157-W203 HydrophobicContact CG-CZ2 3.88Å; R157-W203 HydrophobicContact CG-CZ3 4.3Å
158	W	97.8	Very high	95.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.5	173.3	-81.5	104.2	0	0	0	111.2	V128 L142 C144 E164 E165 I169 V186 L188 T199 C200	V128-W158 HydrophobicContact CG1-CH2 3.51Å; V128-W158 HydrophobicContact CG1-CZ3 3.77Å; L142-W158 HydrophobicContact CB-CH2 3.73Å; L142-W158 HydrophobicContact CB-CZ2 4.18Å; L142-W158 HydrophobicContact CB-CZ3 4.5Å; C144-W158 HydrophobicContact CB-CH2 4.12Å; C144-W158 HydrophobicContact CB-CZ2 3.46Å; C144-W158 VanDerWaalsContact CB-CZ2 3.46Å; W158-E164 WeakPolarHBondContact O-CA 3.04Å; W158-E165 HydrophobicContact CB-CB 4.09Å; W158-E165 PolarHBondContact O-N 3.25Å; W158-I169 HydrophobicContact CB-CD1 4.08Å; W158-I169 HydrophobicContact CG-CD1 4.44Å; W158-V186 WeakPolarHBondContact CZ2-O 3.5Å; W158-V186 PolarHBondContact NE1-O 2.54Å; W158-L188 HydrophobicContact CB-CD2 4.36Å; W158-L188 HydrophobicContact CD2-CB 4.04Å; W158-L188 HydrophobicContact CD2-CD2 4.12Å; W158-L188 HydrophobicContact CE3-CD2 4.18Å; W158-L188 HydrophobicContact CG-CB 4.18Å; W158-L188 HydrophobicContact CG-CD2 4.24Å; W158-L188 HydrophobicContact CZ2-CB 4.12Å; W158-T199 CarbonylContact C-O 3.52Å; W158-C200 HydrophobicContact CD2-CB 4.29Å; W158-C200 HydrophobicContact CE3-CB 4.09Å; W158-C200 HydrophobicContact CH2-CB 4.41Å; W158-C200 HydrophobicContact CZ3-CB 4.14Å
159	F	97	Very high	95.1	Very high	43 Å²	43	57.8 Å²	57.8	19%	0.189	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.6	174.5	-60.4	-98.5	0	0	0	109.5	R157 K163 E164 Y198 T199	R157-F159 HydrophobicContact CB-CE2 3.78Å; R157-F159 HydrophobicContact CB-CZ 4.18Å; F159-K163 CarbonylContact C-O 3.48Å; F159-K163 WeakPolarHBondContact CA-O 3.46Å; F159-E164 HydrophobicContact CD1-CB 4Å; F159-E164 HydrophobicContact CE1-CB 3.79Å; F159-E164 HydrophobicContact CE1-CG 4.21Å; F159-E164 HydrophobicContact CZ-CG 4.46Å; F159-Y198 CarbonylContact O-C 3.57Å; F159-Y198 WeakPolarHBondContact O-CA 3.32Å; F159-T199 PolarHBondContact N-O 2.72Å; F159-T199 PolarHBondContact O-N 3.12Å
160	R	95.3	Very high	95	Very high	64 Å²	64	61.5 Å²	61.5	24%	0.242	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.5	170.8	-179	-177.3	-178.7	164.4	5.6	108.2	G162 K163 E165 E196 Y198	R160-G162 PolarHBondContact O-N 3.4Å; R160-G162 VanDerWaalsContact O-N 3.11Å; R160-K163 PolarHBondContact N-O 3.21Å; R160-K163 PolarHBondContact O-N 2.85Å; R160-E165 HydrophobicContact CB-CG 3.72Å; R160-E165 VanDerWaalsContact CB-OE1 3.3Å; R160-E165 WeakPolarHBondContact CB-OE1 3.46Å; R160-E165 WeakPolarHBondContact CD-OE1 3.49Å; R160-E196 IonicContact CZ-OE1 2.7Å; R160-E196 IonicContact CZ-OE2 3.98Å; R160-E196 IonicContact NE-OE1 2.64Å; R160-E196 PolarHBondContact NE-OE1 3.39Å; R160-E196 IonicContact NE-OE2 3.11Å; R160-E196 PolarHBondContact NE-OE2 2.97Å; R160-E196 IonicContact NH2-OE1 2.9Å; R160-E196 PolarHBondContact NH2-OE1 3.12Å; R160-E196 IonicContact NH2-OE2 3.53Å; R160-E196 PolarHBondContact NH2-OE2 3.46Å; R160-Y198 HydrophobicContact CB-CD1 4.29Å; R160-Y198 HydrophobicContact CB-CE1 4.12Å; R160-Y198 HydrophobicContact CG-CD1 4.35Å; R160-Y198 HydrophobicContact CG-CE1 3.84Å; R160-Y198 PolarHBondContact NE-OH 3.33Å
161	N	94.4	Very high	95	Very high	98 Å²	98	62.4 Å²	62.4	52%	0.524	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39	-177	-58.3	-30.4	0	0	0	112.6	K163 V197	N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.37Å; N161-V197 PolarHBondContact N-O 2.91Å; N161-V197 PolarHBondContact OD1-N 3.37Å
162	G	93	Very high	95	Very high	63 Å²	63	64.3 Å²	64.3	65%	0.649	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-4.2	-179.1	0	0	0	0	0	116.1	R160	R160-G162 PolarHBondContact O-N 3.4Å; R160-G162 VanDerWaalsContact O-N 3.11Å
163	K	95.8	Very high	95.1	Very high	159 Å²	159	65.3 Å²	65.3	69%	0.691	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.3	175.7	-172.1	179.8	177.7	-174	0	110.7	F159 R160 N161 E165	F159-K163 CarbonylContact C-O 3.48Å; F159-K163 WeakPolarHBondContact CA-O 3.46Å; R160-K163 PolarHBondContact N-O 3.21Å; R160-K163 PolarHBondContact O-N 2.85Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.37Å; K163-E165 PolarHBondContact O-N 3.22Å
164	E	96.3	Very high	95.3	Very high	59 Å²	59	67 Å²	67	28%	0.276	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	129.9	-179.9	-170.5	179.8	140.5	0	0	111.5	R157 W158 F159 K166	R157-E164 VanDerWaalsContact CD-CD 3.46Å; R157-E164 WeakPolarHBondContact CD-OE1 3.48Å; R157-E164 IonicContact CZ-OE2 3.11Å; R157-E164 IonicContact NE-OE1 2.71Å; R157-E164 IonicContact NH1-OE1 3.15Å; R157-E164 IonicContact NH1-OE2 2.63Å; R157-E164 PolarHBondContact NH1-OE2 2.7Å; W158-E164 WeakPolarHBondContact O-CA 3.04Å; F159-E164 HydrophobicContact CD1-CB 4Å; F159-E164 HydrophobicContact CE1-CB 3.79Å; F159-E164 HydrophobicContact CE1-CG 4.21Å; F159-E164 HydrophobicContact CZ-CG 4.46Å; E164-K166 HydrophobicContact CG-CG 4.5Å; E164-K166 WeakPolarHBondContact OE1-CE 3Å; E164-K166 IonicContact OE1-NZ 3.05Å
165	E	95.8	Very high	95.4	Very high	41 Å²	41	68.8 Å²	68.8	19%	0.192	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140	173.4	-71.7	-63.3	165.2	0	0	110.2	W158 R160 K163 I169 L188	W158-E165 HydrophobicContact CB-CB 4.09Å; W158-E165 PolarHBondContact O-N 3.25Å; R160-E165 HydrophobicContact CB-CG 3.72Å; R160-E165 VanDerWaalsContact CB-OE1 3.3Å; R160-E165 WeakPolarHBondContact CB-OE1 3.46Å; R160-E165 WeakPolarHBondContact CD-OE1 3.49Å; K163-E165 PolarHBondContact O-N 3.22Å; E165-I169 WeakPolarHBondContact O-CD1 3.4Å; E165-L188 HydrophobicContact CB-CD1 4.47Å
166	K	94.7	Very high	95.6	Very high	157 Å²	157	74.6 Å²	74.6	68%	0.683	40%	0.402	S	S	*	.			trans	-131.8	-18.9	-178.9	-66	-175	176.4	-178.8	0	113.7	E164	E164-K166 HydrophobicContact CG-CG 4.5Å; E164-K166 WeakPolarHBondContact OE1-CE 3Å; E164-K166 IonicContact OE1-NZ 3.05Å
167	T	93.6	Very high	95.6	Very high	109 Å²	109	76 Å²	76	67%	0.669	41%	0.408	S	S	*	.	S	Bend	trans	-97.5	146.6	-178.9	46.7	0	0	0	0	110.4	I169	T167-I169 PolarHBondContact O-N 3.36Å
168	G	90.6	Very high	95.6	Very high	36 Å²	36	75.3 Å²	75.3	37%	0.371	43%	0.426	S	S	.	.	S	Bend	trans	71.9	13.2	-180	0	0	0	0	0	114.3	E189	G168-E189 PolarHBondContact O-N 3.29Å
169	I	95.7	Very high	95.5	Very high	59 Å²	59	79.8 Å²	79.8	30%	0.303	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.5	177.8	-63.3	177.5	0	0	0	110.3	W158 E165 T167 V186 M187 L188	W158-I169 HydrophobicContact CB-CD1 4.08Å; W158-I169 HydrophobicContact CG-CD1 4.44Å; E165-I169 WeakPolarHBondContact O-CD1 3.4Å; T167-I169 PolarHBondContact O-N 3.36Å; I169-V186 HydrophobicContact CG2-CG1 3.6Å; I169-M187 CarbonylContact C-O 3.59Å; I169-M187 VanDerWaalsContact CA-O 3.28Å; I169-M187 WeakPolarHBondContact CA-O 3.39Å; I169-L188 HydrophobicContact CG1-CD1 3.87Å
170	V	95.1	Very high	95.4	Very high	81 Å²	81	84.3 Å²	84.3	49%	0.491	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.9	174.8	-177.1	0	0	0	0	108.8	M187	V170-M187 HydrophobicContact CB-CE 4.13Å; V170-M187 HydrophobicContact CG1-CE 3.85Å; V170-M187 PolarHBondContact N-O 2.6Å; V170-M187 PolarHBondContact O-N 3.47Å
171	S	95.9	Very high	95.5	Very high	61 Å²	61	82 Å²	82	43%	0.427	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.7	176.8	-179.6	0	0	0	0	111.6	G173 T184 L185	S171-G173 PolarHBondContact O-N 3.42Å; S171-G173 PolarHBondContact OG-N 2.84Å; S171-T184 PolarHBondContact OG-OG1 2.89Å; S171-L185 VanDerWaalsContact CA-O 3.26Å; S171-L185 WeakPolarHBondContact CA-O 3.17Å; S171-L185 PolarHBondContact OG-O 3.02Å
172	T	95.4	Very high	95.7	Very high	72 Å²	72	78 Å²	78	44%	0.442	44%	0.437	S	S	.	.			trans	-68.4	-13.1	168.2	54.4	0	0	0	0	112.9	L185 M187	T172-L185 HydrophobicContact CG2-CB 3.79Å; T172-L185 HydrophobicContact CG2-CD1 4.19Å; T172-L185 HydrophobicContact CG2-CG 4.19Å; T172-L185 PolarHBondContact N-O 3.04Å; T172-L185 PolarHBondContact OG1-N 3.08Å; T172-L185 PolarHBondContact OG1-O 2.87Å; T172-M187 HydrophobicContact CG2-CE 4.38Å
173	G	95.8	Very high	96	Very high	33 Å²	33	78.3 Å²	78.3	34%	0.34	42%	0.422	S	S	.	.			trans	72.3	-177.8	-161.9	0	0	0	0	0	111.8	S171 T184	S171-G173 PolarHBondContact O-N 3.42Å; S171-G173 PolarHBondContact OG-N 2.84Å; G173-T184 PolarHBondContact O-OG1 3.2Å
174	L	96.8	Very high	96.1	Very high	86 Å²	86	71 Å²	71	45%	0.45	39%	0.391	S	S	.	.			trans	-76.6	123.4	-178.8	-172.5	73.8	0	0	0	110.8	F149 F182	F149-L174 HydrophobicContact CE2-CD1 3.78Å; F149-L174 HydrophobicContact CZ-CD1 3.6Å; L174-F182 HydrophobicContact CD1-CB 3.78Å; L174-F182 HydrophobicContact CD1-CD1 3.95Å; L174-F182 HydrophobicContact CD1-CG 4.07Å; L174-F182 HydrophobicContact CD2-CD1 3.71Å; L174-F182 HydrophobicContact CD2-CE1 3.87Å; L174-F182 HydrophobicContact CD2-CG 4.41Å; L174-F182 HydrophobicContact CG-CB 4.43Å; L174-F182 HydrophobicContact CG-CD1 3.7Å; L174-F182 HydrophobicContact CG-CE1 4.32Å; L174-F182 HydrophobicContact CG-CG 4.33Å
175	V	97.9	Very high	96.1	Very high	59 Å²	59	70.3 Å²	70.3	36%	0.358	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.3	176.8	179.4	0	0	0	0	109.5	F182 Q183	V175-F182 VanDerWaalsContact O-CA 3.27Å; V175-F182 WeakPolarHBondContact O-CA 3.23Å; V175-F182 WeakPolarHBondContact O-CD1 3.23Å; V175-Q183 HydrophobicContact CB-CG 3.7Å; V175-Q183 HydrophobicContact CG1-CG 4.02Å; V175-Q183 HydrophobicContact CG2-CG 4.49Å; V175-Q183 PolarHBondContact N-O 2.87Å; V175-Q183 PolarHBondContact O-N 2.8Å
176	R	97.6	Very high	96.2	Very high	178 Å²	178	68.9 Å²	68.9	67%	0.672	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.5	175.1	-177.6	-173	-65.4	-90.5	2.4	109.5	F182	R176-F182 HydrophobicContact CB-CD1 4.14Å; R176-F182 HydrophobicContact CB-CE1 3.94Å; R176-F182 HydrophobicContact CG-CE1 4.08Å
177	N	97.3	Very high	96.3	Very high	56 Å²	56	63.1 Å²	63.1	30%	0.299	36%	0.359	S	S	.	.			trans	-80	-24.6	-174.5	-65.3	-21	0	0	0	113.7	D179 T181 Q183	N177-D179 VanDerWaalsContact CB-OD1 3.25Å; N177-D179 WeakPolarHBondContact CB-OD1 3.22Å; N177-T181 PolarHBondContact N-O 3.18Å; N177-T181 PolarHBondContact ND2-OG1 2.89Å; N177-Q183 WeakPolarHBondContact OD1-CG 3.47Å; N177-Q183 PolarHBondContact OD1-NE2 3.33Å
178	G	96.1	Very high	96.4	Very high	67 Å²	67	58.1 Å²	58.1	69%	0.691	33%	0.328	S	S	*	.	S	Bend	trans	94.3	-2	-177	0	0	0	0	0	114.4
179	D	96.5	Very high	96.5	Very high	95 Å²	95	61.2 Å²	61.2	51%	0.508	33%	0.332	S	S	.	.	S	Bend	trans	-114.4	22.1	-179.6	67.1	-7.9	0	0	0	113	N177 T181	N177-D179 VanDerWaalsContact CB-OD1 3.25Å; N177-D179 WeakPolarHBondContact CB-OD1 3.22Å; D179-T181 VanDerWaalsContact C-N 3.29Å; D179-T181 PolarHBondContact O-N 2.93Å; D179-T181 WeakPolarHBondContact OD1-CB 3.32Å; D179-T181 PolarHBondContact OD1-N 3.35Å; D179-T181 PolarHBondContact OD1-OG1 2.9Å; D179-T181 PolarHBondContact OD2-OG1 3.17Å
180	W	95.2	Very high	96.2	Very high	138 Å²	138	59.1 Å²	59.1	52%	0.523	32%	0.323	S	S	.	.	S	Bend	trans	66	25.4	-173.1	-59.4	77.1	0	0	0	114.9	L117 Y150	L117-W180 HydrophobicContact CD1-CH2 4.27Å; L117-W180 HydrophobicContact CD2-CH2 3.98Å; L117-W180 HydrophobicContact CD2-CZ3 3.97Å; Y150-W180 WeakPolarHBondContact CD2-O 3.49Å; Y150-W180 AromaticContact CE2-CE3 3.91Å; Y150-W180 HydrophobicContact CE2-CE3 3.91Å; Y150-W180 AromaticContact CZ-CE3 3.96Å
181	T	97.3	Very high	95.8	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.092	32%	0.318	C	S	.	.			trans	-122	162.7	164.8	70.4	0	0	0	0	111.7	F149 N177 D179	F149-T181 CarbonylContact O-C 3.56Å; F149-T181 WeakPolarHBondContact O-CA 3.42Å; N177-T181 PolarHBondContact N-O 3.18Å; N177-T181 PolarHBondContact ND2-OG1 2.89Å; D179-T181 VanDerWaalsContact C-N 3.29Å; D179-T181 PolarHBondContact O-N 2.93Å; D179-T181 WeakPolarHBondContact OD1-CB 3.32Å; D179-T181 PolarHBondContact OD1-N 3.35Å; D179-T181 PolarHBondContact OD1-OG1 2.9Å; D179-T181 PolarHBondContact OD2-OG1 3.17Å
182	F	98.1	Very high	95.3	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	160.4	174.7	-64.6	-88.5	0	0	0	110.7	D148 F149 Y150 L174 V175 R176	D148-F182 PolarHBondContact N-O 2.69Å; F149-F182 VanDerWaalsContact CD1-O 3.29Å; F149-F182 WeakPolarHBondContact CD1-O 3.3Å; F149-F182 HydrophobicContact CD2-CB 4.06Å; F149-F182 HydrophobicContact CE1-CB 4.21Å; F149-F182 WeakPolarHBondContact CE1-O 3.37Å; F149-F182 HydrophobicContact CE2-CB 3.62Å; F149-F182 HydrophobicContact CE2-CG 4.48Å; F149-F182 HydrophobicContact CZ-CB 3.69Å; F149-F182 PolarHBondContact N-O 3.33Å; F149-F182 PolarHBondContact O-N 3.38Å; Y150-F182 AromaticContact CD2-CD2 4Å; Y150-F182 HydrophobicContact CD2-CD2 4Å; Y150-F182 AromaticContact CD2-CE2 3.6Å; Y150-F182 HydrophobicContact CD2-CE2 3.6Å; Y150-F182 AromaticContact CE2-CE2 3.81Å; Y150-F182 HydrophobicContact CE2-CE2 3.81Å; L174-F182 HydrophobicContact CD1-CB 3.78Å; L174-F182 HydrophobicContact CD1-CD1 3.95Å; L174-F182 HydrophobicContact CD1-CG 4.07Å; L174-F182 HydrophobicContact CD2-CD1 3.71Å; L174-F182 HydrophobicContact CD2-CE1 3.87Å; L174-F182 HydrophobicContact CD2-CG 4.41Å; L174-F182 HydrophobicContact CG-CB 4.43Å; L174-F182 HydrophobicContact CG-CD1 3.7Å; L174-F182 HydrophobicContact CG-CE1 4.32Å; L174-F182 HydrophobicContact CG-CG 4.33Å; V175-F182 VanDerWaalsContact O-CA 3.27Å; V175-F182 WeakPolarHBondContact O-CA 3.23Å; V175-F182 WeakPolarHBondContact O-CD1 3.23Å; R176-F182 HydrophobicContact CB-CD1 4.14Å; R176-F182 HydrophobicContact CB-CE1 3.94Å; R176-F182 HydrophobicContact CG-CE1 4.08Å
183	Q	98.1	Very high	94.8	Very high	69 Å²	69	58.3 Å²	58.3	32%	0.322	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.1	169.8	67.4	-179.3	-64.2	0	0	111.1	V146 V175 N177	V146-Q183 CarbonylContact O-C 3.6Å; V146-Q183 VanDerWaalsContact O-CA 3.26Å; V146-Q183 WeakPolarHBondContact O-CA 3.47Å; V175-Q183 HydrophobicContact CB-CG 3.7Å; V175-Q183 HydrophobicContact CG1-CG 4.02Å; V175-Q183 HydrophobicContact CG2-CG 4.49Å; V175-Q183 PolarHBondContact N-O 2.87Å; V175-Q183 PolarHBondContact O-N 2.8Å; N177-Q183 WeakPolarHBondContact OD1-CG 3.47Å; N177-Q183 PolarHBondContact OD1-NE2 3.33Å
184	T	98.1	Very high	94.3	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.043	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	142.8	169.7	-176.8	0	0	0	0	109.6	V146 F149 I154 V156 S171 G173	V146-T184 HydrophobicContact CB-CG2 3.95Å; V146-T184 HydrophobicContact CG2-CG2 4.48Å; V146-T184 PolarHBondContact N-O 3.14Å; V146-T184 PolarHBondContact O-N 3.1Å; F149-T184 HydrophobicContact CE1-CG2 4.36Å; F149-T184 HydrophobicContact CZ-CG2 4.32Å; I154-T184 HydrophobicContact CG2-CG2 4.46Å; V156-T184 HydrophobicContact CG2-CG2 4.14Å; S171-T184 PolarHBondContact OG-OG1 2.89Å; G173-T184 PolarHBondContact O-OG1 3.2Å
185	L	97.8	Very high	93.7	Very high	44 Å²	44	58.8 Å²	58.8	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.1	168.9	-53.3	-179.6	0	0	0	108.3	V143 C144 S171 T172	V143-L185 HydrophobicContact CG1-CB 4.45Å; V143-L185 HydrophobicContact CG1-CD2 4.29Å; C144-L185 WeakPolarHBondContact O-CA 3.44Å; S171-L185 VanDerWaalsContact CA-O 3.26Å; S171-L185 WeakPolarHBondContact CA-O 3.17Å; S171-L185 PolarHBondContact OG-O 3.02Å; T172-L185 HydrophobicContact CG2-CB 3.79Å; T172-L185 HydrophobicContact CG2-CD1 4.19Å; T172-L185 HydrophobicContact CG2-CG 4.19Å; T172-L185 PolarHBondContact N-O 3.04Å; T172-L185 PolarHBondContact OG1-N 3.08Å; T172-L185 PolarHBondContact OG1-O 2.87Å
186	V	97.8	Very high	93.4	Very high	10 Å²	10	56.8 Å²	56.8	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	106.7	173.7	-173.5	0	0	0	0	107.9	C144 V156 W158 I169	C144-V186 HydrophobicContact CB-CB 4.47Å; C144-V186 VanDerWaalsContact CB-O 3.29Å; C144-V186 WeakPolarHBondContact CB-O 3.2Å; C144-V186 PolarHBondContact N-O 3.06Å; C144-V186 PolarHBondContact O-N 3.4Å; V156-V186 HydrophobicContact CB-CG2 3.84Å; V156-V186 HydrophobicContact CG1-CB 3.98Å; V156-V186 HydrophobicContact CG1-CG1 4.43Å; V156-V186 HydrophobicContact CG1-CG2 3.66Å; V156-V186 HydrophobicContact CG2-CG2 4.36Å; W158-V186 WeakPolarHBondContact CZ2-O 3.5Å; W158-V186 PolarHBondContact NE1-O 2.54Å; I169-V186 HydrophobicContact CG2-CG1 3.6Å
187	M	96.1	Very high	93.2	Very high	36 Å²	36	50.4 Å²	50.4	18%	0.177	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.4	-173.1	-59	163.7	-75.5	0	0	109.7	L141 L142 V143 I169 V170 T172	L141-M187 HydrophobicContact CD1-CB 3.79Å; L141-M187 HydrophobicContact CD2-CB 4.23Å; L141-M187 HydrophobicContact CD2-CG 4.31Å; L141-M187 HydrophobicContact CD2-SD 3.92Å; L141-M187 HydrophobicContact CG-CB 3.98Å; L141-M187 HydrophobicContact CG-CG 4.47Å; L142-M187 CarbonylContact O-C 3.59Å; L142-M187 WeakPolarHBondContact O-CA 3.41Å; V143-M187 HydrophobicContact CG1-CG 4.31Å; V143-M187 HydrophobicContact CG2-CG 4.29Å; I169-M187 CarbonylContact C-O 3.59Å; I169-M187 VanDerWaalsContact CA-O 3.28Å; I169-M187 WeakPolarHBondContact CA-O 3.39Å; V170-M187 HydrophobicContact CB-CE 4.13Å; V170-M187 HydrophobicContact CG1-CE 3.85Å; V170-M187 PolarHBondContact N-O 2.6Å; V170-M187 PolarHBondContact O-N 3.47Å; T172-M187 HydrophobicContact CG2-CE 4.38Å
188	L	95.5	Very high	93.1	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119	176.2	174.1	65.9	0	0	0	109.3	L142 W158 E165 I169 T190 Y198	L142-L188 HydrophobicContact CB-CB 4.49Å; L142-L188 PolarHBondContact N-O 3.01Å; L142-L188 PolarHBondContact O-N 3.46Å; W158-L188 HydrophobicContact CB-CD2 4.36Å; W158-L188 HydrophobicContact CD2-CB 4.04Å; W158-L188 HydrophobicContact CD2-CD2 4.12Å; W158-L188 HydrophobicContact CE3-CD2 4.18Å; W158-L188 HydrophobicContact CG-CB 4.18Å; W158-L188 HydrophobicContact CG-CD2 4.24Å; W158-L188 HydrophobicContact CZ2-CB 4.12Å; E165-L188 HydrophobicContact CB-CD1 4.47Å; I169-L188 HydrophobicContact CG1-CD1 3.87Å; L188-T190 HydrophobicContact CD2-CG2 4.39Å; L188-T190 HydrophobicContact CG-CG2 4.34Å; L188-Y198 HydrophobicContact CD2-CD1 3.76Å; L188-Y198 HydrophobicContact CD2-CE1 3.98Å
189	E	92.4	Very high	93.2	Very high	101 Å²	101	45.7 Å²	45.7	47%	0.472	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.8	170.9	-173.6	175.4	-170.1	0	0	109.7	H139 L141 G168	H139-E189 HydrophobicContact CB-CG 4.34Å; H139-E189 IonicContact CG-OE1 3.72Å; H139-E189 IonicContact ND1-OE1 3.74Å; L141-E189 HydrophobicContact CD1-CB 4.24Å; G168-E189 PolarHBondContact O-N 3.29Å
190	T	89.3	Confident	93.2	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	167.9	-178.3	-173	0	0	0	0	111.1	N140 L142 L188 P192 Y198	N140-T190 WeakPolarHBondContact CA-O 3.49Å; N140-T190 PolarHBondContact N-O 3.04Å; N140-T190 PolarHBondContact O-N 2.86Å; L142-T190 HydrophobicContact CD1-CG2 3.78Å; L142-T190 HydrophobicContact CG-CG2 3.99Å; L188-T190 HydrophobicContact CD2-CG2 4.39Å; L188-T190 HydrophobicContact CG-CG2 4.34Å; T190-P192 HydrophobicContact CG2-CG 4.21Å; T190-Y198 HydrophobicContact CG2-CE1 3.8Å; T190-Y198 PolarHBondContact OG1-OH 3.28Å
191	V	87.5	Confident	93.3	Very high	65 Å²	65	35.2 Å²	35.2	39%	0.394	20%	0.202	S	C	.	.			trans	-113.7	97.5	167.4	-177.8	0	0	0	0	106.3
192	P	85.4	Confident	93.2	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.039	20%	0.198	C	C	.	.			trans	-61.7	142.9	-177	-18.2	29.5	0	0	0	111	L136 N140 T190 Y198 F220	L136-P192 HydrophobicContact CD2-CB 3.86Å; L136-P192 HydrophobicContact CD2-CG 4.1Å; L136-P192 WeakPolarHBondContact CD2-O 3.45Å; N140-P192 HydrophobicContact CB-CG 4.33Å; T190-P192 HydrophobicContact CG2-CG 4.21Å; P192-Y198 HydrophobicContact CB-CE2 4.05Å; P192-F220 HydrophobicContact CB-CD1 3.8Å; P192-F220 HydrophobicContact CB-CD2 3.9Å; P192-F220 HydrophobicContact CB-CE1 3.79Å; P192-F220 HydrophobicContact CB-CE2 3.88Å; P192-F220 HydrophobicContact CB-CG 3.86Å; P192-F220 HydrophobicContact CB-CZ 3.83Å; P192-F220 HydrophobicContact CG-CD1 4.4Å; P192-F220 HydrophobicContact CG-CE1 3.87Å; P192-F220 HydrophobicContact CG-CE2 4.09Å; P192-F220 HydrophobicContact CG-CZ 3.7Å
193	Q	84.2	Confident	92.9	Very high	126 Å²	126	35.7 Å²	35.7	59%	0.589	20%	0.202	S	C	*	.			trans	-108.7	153.1	170	-60.6	-178.2	-3.4	0	0	110.2	G195 E196	Q193-G195 PolarHBondContact O-N 2.95Å; Q193-E196 HydrophobicContact CB-CG 3.92Å; Q193-E196 PolarHBondContact N-OE2 3.25Å; Q193-E196 WeakPolarHBondContact O-CB 3.41Å; Q193-E196 WeakPolarHBondContact O-CG 3.31Å; Q193-E196 PolarHBondContact O-N 2.88Å; Q193-E196 VanDerWaalsContact O-N 3.12Å
194	S	84.8	Confident	92.5	Very high	80 Å²	80	35.7 Å²	35.7	56%	0.559	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	132.6	177.1	-174.4	0	0	0	0	110.6	E196 F220	S194-E196 VanDerWaalsContact C-N 3.34Å; S194-F220 WeakPolarHBondContact CA-O 3.44Å
195	G	85.5	Confident	91.7	Very high	49 Å²	49	42.4 Å²	42.4	51%	0.505	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	4.1	-177.3	0	0	0	0	0	115.5	Q193 F220	Q193-G195 PolarHBondContact O-N 2.95Å; G195-F220 PolarHBondContact N-O 2.99Å
196	E	91.1	Very high	90.5	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.075	26%	0.259	C	S	.	.			trans	-84.1	142.9	171.6	-63	-166.2	130.4	0	0	112.5	R160 Q193 S194 Y198 F220	R160-E196 IonicContact CZ-OE1 2.7Å; R160-E196 IonicContact CZ-OE2 3.98Å; R160-E196 IonicContact NE-OE1 2.64Å; R160-E196 PolarHBondContact NE-OE1 3.39Å; R160-E196 IonicContact NE-OE2 3.11Å; R160-E196 PolarHBondContact NE-OE2 2.97Å; R160-E196 IonicContact NH2-OE1 2.9Å; R160-E196 PolarHBondContact NH2-OE1 3.12Å; R160-E196 IonicContact NH2-OE2 3.53Å; R160-E196 PolarHBondContact NH2-OE2 3.46Å; Q193-E196 HydrophobicContact CB-CG 3.92Å; Q193-E196 PolarHBondContact N-OE2 3.25Å; Q193-E196 WeakPolarHBondContact O-CB 3.41Å; Q193-E196 WeakPolarHBondContact O-CG 3.31Å; Q193-E196 PolarHBondContact O-N 2.88Å; Q193-E196 VanDerWaalsContact O-N 3.12Å; S194-E196 VanDerWaalsContact C-N 3.34Å; E196-Y198 HydrophobicContact CB-CD2 4.39Å; E196-Y198 HydrophobicContact CB-CE2 3.76Å; E196-Y198 PolarHBondContact OE2-OH 2.74Å; E196-F220 PolarHBondContact O-N 3.18Å
197	V	94	Very high	89	Confident	45 Å²	45	46.8 Å²	46.8	27%	0.273	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.2	175.3	-175.9	0	0	0	0	109.5	N161 L218 D219	N161-V197 PolarHBondContact N-O 2.91Å; N161-V197 PolarHBondContact OD1-N 3.37Å; V197-L218 WeakPolarHBondContact CA-O 3.38Å; V197-D219 HydrophobicContact CG2-CB 4.34Å
198	Y	95.3	Very high	86.9	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.3	175.1	-68.2	-96.3	0	0	0	109.2	L142 F159 R160 L188 T190 P192 E196 S217 L218 F220	L142-Y198 HydrophobicContact CD1-CD1 3.72Å; L142-Y198 HydrophobicContact CD1-CD2 3.99Å; L142-Y198 HydrophobicContact CD1-CE1 4.21Å; L142-Y198 HydrophobicContact CD1-CE2 4.47Å; L142-Y198 HydrophobicContact CD1-CG 3.59Å; F159-Y198 CarbonylContact O-C 3.57Å; F159-Y198 WeakPolarHBondContact O-CA 3.32Å; R160-Y198 HydrophobicContact CB-CD1 4.29Å; R160-Y198 HydrophobicContact CB-CE1 4.12Å; R160-Y198 HydrophobicContact CG-CD1 4.35Å; R160-Y198 HydrophobicContact CG-CE1 3.84Å; R160-Y198 PolarHBondContact NE-OH 3.33Å; L188-Y198 HydrophobicContact CD2-CD1 3.76Å; L188-Y198 HydrophobicContact CD2-CE1 3.98Å; T190-Y198 HydrophobicContact CG2-CE1 3.8Å; T190-Y198 PolarHBondContact OG1-OH 3.28Å; P192-Y198 HydrophobicContact CB-CE2 4.05Å; E196-Y198 HydrophobicContact CB-CD2 4.39Å; E196-Y198 HydrophobicContact CB-CE2 3.76Å; E196-Y198 PolarHBondContact OE2-OH 2.74Å; Y198-S217 CarbonylContact O-C 3.55Å; Y198-S217 WeakPolarHBondContact O-CA 3.3Å; Y198-L218 PolarHBondContact N-O 2.98Å; Y198-L218 PolarHBondContact O-N 3.43Å; Y198-F220 AromaticContact CD2-CD2 3.71Å; Y198-F220 HydrophobicContact CD2-CD2 3.71Å; Y198-F220 AromaticContact CD2-CE2 3.64Å; Y198-F220 HydrophobicContact CD2-CE2 3.64Å; Y198-F220 HydrophobicContact CE2-CD2 4Å; Y198-F220 HydrophobicContact CE2-CE2 4.08Å
199	T	97.2	Very high	85.3	Confident	23 Å²	23	53.4 Å²	53.4	14%	0.141	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.2	-179.5	-59	0	0	0	0	109.6	W158 F159 K215 D216 S217	W158-T199 CarbonylContact C-O 3.52Å; F159-T199 PolarHBondContact N-O 2.72Å; F159-T199 PolarHBondContact O-N 3.12Å; T199-K215 HydrophobicContact CG2-CB 4.21Å; T199-K215 HydrophobicContact CG2-CD 4.17Å; T199-D216 WeakPolarHBondContact CA-O 3.46Å; T199-S217 WeakPolarHBondContact CB-OG 3.49Å; T199-S217 WeakPolarHBondContact CG2-OG 3.32Å; T199-S217 PolarHBondContact OG1-OG 3.35Å
200	C	97.5	Very high	83.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	166	-176.2	0	0	0	0	109.1	V126 V128 C144 V156 W158 K215 D216	V126-C200 HydrophobicContact CG1-CB 4.41Å; V128-C200 HydrophobicContact CG2-CB 3.51Å; C144-C200 HydrophobicContact CB-CB 3.51Å; C144-C200 WeakPolarHBondContact CB-SG 3.47Å; C144-C200 WeakPolarHBondContact SG-CB 3.27Å; C144-C200 CovalentContact SG-SG 2.01Å; C144-C200 PolarHBondContact SG-SG 2.67Å; V156-C200 WeakPolarHBondContact CG1-SG 3.42Å; W158-C200 HydrophobicContact CD2-CB 4.29Å; W158-C200 HydrophobicContact CE3-CB 4.09Å; W158-C200 HydrophobicContact CH2-CB 4.41Å; W158-C200 HydrophobicContact CZ3-CB 4.14Å; C200-K215 WeakPolarHBondContact O-CA 3.31Å; C200-K215 WeakPolarHBondContact O-CB 3.46Å; C200-D216 PolarHBondContact N-O 2.91Å; C200-D216 PolarHBondContact O-N 3.37Å
201	S	96.4	Very high	82.4	Confident	12 Å²	12	59.2 Å²	59.2	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.5	177.2	-61.9	0	0	0	0	110.6	V156 R157 R214 K215	V156-S201 CarbonylContact C-O 3.59Å; V156-S201 WeakPolarHBondContact CA-O 3.46Å; R157-S201 PolarHBondContact N-O 3.45Å; R157-S201 PolarHBondContact O-N 2.84Å; S201-R214 CarbonylContact C-O 3.53Å; S201-R214 WeakPolarHBondContact CA-O 3.42Å; S201-K215 WeakPolarHBondContact OG-CB 3.37Å
202	S	94.6	Very high	81.8	Confident	0 Å²	0	58 Å²	58	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.3	177.8	72.4	0	0	0	0	111.6	V126 E155 T213 R214	V126-S202 VanDerWaalsContact CG2-OG 3.25Å; V126-S202 WeakPolarHBondContact CG2-OG 3.47Å; E155-S202 CarbonylContact O-C 3.52Å; E155-S202 WeakPolarHBondContact O-CA 3.36Å; S202-T213 WeakPolarHBondContact O-CA 3.26Å; S202-R214 PolarHBondContact N-O 3.36Å; S202-R214 PolarHBondContact O-N 3.2Å; S202-R214 PolarHBondContact OG-O 3.44Å
203	W	92.8	Very high	81.9	Confident	40 Å²	40	60.2 Å²	60.2	15%	0.152	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163.3	175.3	56.2	91	0	0	0	111	I154 E155 R157 T213	I154-W203 CarbonylContact C-O 3.6Å; E155-W203 HydrophobicContact CB-CD2 4.46Å; E155-W203 HydrophobicContact CB-CZ2 4.39Å; E155-W203 HydrophobicContact CG-CZ2 3.81Å; E155-W203 PolarHBondContact N-O 2.88Å; E155-W203 PolarHBondContact O-N 2.89Å; E155-W203 PolarHBondContact OE2-NE1 2.03Å; R157-W203 HydrophobicContact CB-CH2 3.74Å; R157-W203 HydrophobicContact CB-CZ3 4.25Å; R157-W203 HydrophobicContact CG-CH2 3.42Å; R157-W203 VanDerWaalsContact CG-CH2 3.42Å; R157-W203 HydrophobicContact CG-CZ2 3.88Å; R157-W203 HydrophobicContact CG-CZ3 4.3Å; W203-T213 HydrophobicContact CE3-CG2 4.35Å
204	E	88.4	Confident	82.3	Confident	68 Å²	68	59.1 Å²	59.1	32%	0.318	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.5	175.4	-168.1	173.9	178.6	0	0	110.6	R121 N153 G206 C207	R121-E204 IonicContact CZ-OE1 3.48Å; R121-E204 IonicContact NE-OE1 3.82Å; R121-E204 IonicContact NE-OE2 3.12Å; R121-E204 IonicContact NH2-OE1 3.44Å; N153-E204 WeakPolarHBondContact ND2-CG 3.43Å; N153-E204 PolarHBondContact ND2-OE1 2.94Å; N153-E204 WeakPolarHBondContact O-CA 3.39Å; N153-E204 WeakPolarHBondContact O-CG 3.3Å; E204-G206 PolarHBondContact O-N 3.25Å; E204-C207 HydrophobicContact CB-CB 4.29Å; E204-C207 WeakPolarHBondContact O-CB 3.33Å; E204-C207 PolarHBondContact O-N 3.06Å; E204-C207 VanDerWaalsContact O-N 3.1Å
205	R	82.9	Confident	82.8	Confident	149 Å²	149	62.2 Å²	62.2	56%	0.562	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	131.2	179.8	-89.9	-174	-82.3	152.5	-1.6	111	N153 I154 E155 C207	N153-R205 PolarHBondContact O-N 3.27Å; I154-R205 PolarHBondContact O-NE 3.24Å; E155-R205 HydrophobicContact CB-CG 3.78Å; R205-C207 VanDerWaalsContact C-N 3.3Å
206	G	72.6	Confident	83.4	Confident	88 Å²	88	62.5 Å²	62.5	91%	0.907	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-0.5	-179.2	0	0	0	0	0	114.6	E204	E204-G206 PolarHBondContact O-N 3.25Å
207	C	65	Low	83.6	Confident	58 Å²	58	64.2 Å²	64.2	39%	0.392	38%	0.383	S	S	.	.			trans	-100.7	114.1	171.7	-154.2	0	0	0	0	109.7	E204 R205	E204-C207 HydrophobicContact CB-CB 4.29Å; E204-C207 WeakPolarHBondContact O-CB 3.33Å; E204-C207 PolarHBondContact O-N 3.06Å; E204-C207 VanDerWaalsContact O-N 3.1Å; R205-C207 VanDerWaalsContact C-N 3.3Å
208	S	53.6	Low	83.5	Confident	130 Å²	130	63.8 Å²	63.8	91%	0.909	38%	0.379	S	S	*	.			trans	-92.2	6.4	179.9	60.2	0	0	0	0	113.6
209	S	60.2	Low	83.1	Confident	49 Å²	49	68 Å²	68	34%	0.343	40%	0.402	S	S	.	.			trans	-83.4	135.2	-178.6	71.3	0	0	0	0	111.6	S211	S209-S211 PolarHBondContact O-N 3.45Å; S209-S211 PolarHBondContact OG-OG 2.84Å
210	T	61.6	Low	82.4	Confident	132 Å²	132	67.3 Å²	67.3	81%	0.81	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20	173.2	30.1	0	0	0	0	113.2	G212 T213	T210-G212 VanDerWaalsContact C-N 3.25Å; T210-G212 PolarHBondContact O-N 3.5Å; T210-T213 PolarHBondContact O-N 3.33Å
211	S	60.6	Low	81	Confident	107 Å²	107	70.3 Å²	70.3	75%	0.748	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.4	-177.8	56.9	0	0	0	0	114.9	S209	S209-S211 PolarHBondContact O-N 3.45Å; S209-S211 PolarHBondContact OG-OG 2.84Å
212	G	73.8	Confident	79	Confident	40 Å²	40	78.2 Å²	78.2	41%	0.412	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-107.4	6.8	-179.5	0	0	0	0	0	114.6	T210	T210-G212 VanDerWaalsContact C-N 3.25Å; T210-G212 PolarHBondContact O-N 3.5Å
213	T	87.2	Confident	77.1	Confident	52 Å²	52	84.2 Å²	84.2	32%	0.319	48%	0.481	S	S	.	.			trans	-82.3	128.3	-178.2	-57	0	0	0	0	110.5	S202 W203 T210	S202-T213 WeakPolarHBondContact O-CA 3.26Å; W203-T213 HydrophobicContact CE3-CG2 4.35Å; T210-T213 PolarHBondContact O-N 3.33Å
214	R	93.6	Very high	74.6	Confident	103 Å²	103	88.9 Å²	88.9	39%	0.389	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140	168.6	-63.6	-60.6	-123.8	-122.8	-2.9	109.6	E123 P124 V126 S201 S202	E123-R214 IonicContact OE1-NH1 3.85Å; E123-R214 IonicContact OE2-CZ 2.68Å; E123-R214 IonicContact OE2-NH1 3.71Å; E123-R214 PolarHBondContact OE2-NH1 3.33Å; E123-R214 IonicContact OE2-NH2 3.73Å; E123-R214 PolarHBondContact OE2-NH2 2.65Å; P124-R214 HydrophobicContact CG-CB 4.16Å; P124-R214 HydrophobicContact CG-CG 3.96Å; V126-R214 HydrophobicContact CG2-CB 3.68Å; S201-R214 CarbonylContact C-O 3.53Å; S201-R214 WeakPolarHBondContact CA-O 3.42Å; S202-R214 PolarHBondContact N-O 3.36Å; S202-R214 PolarHBondContact O-N 3.2Å; S202-R214 PolarHBondContact OG-O 3.44Å
215	K	95.3	Very high	72.1	Confident	144 Å²	144	94.3 Å²	94.3	63%	0.626	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-149.9	156	-178.8	66.3	178.7	-177.6	175.3	0	111.1	T199 C200 S201	T199-K215 HydrophobicContact CG2-CB 4.21Å; T199-K215 HydrophobicContact CG2-CD 4.17Å; C200-K215 WeakPolarHBondContact O-CA 3.31Å; C200-K215 WeakPolarHBondContact O-CB 3.46Å; S201-K215 WeakPolarHBondContact OG-CB 3.37Å
216	D	97	Very high	71.6	Confident	56 Å²	56	91.6 Å²	91.6	30%	0.299	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.8	159.7	169.3	-177.8	31	0	0	0	108.7	V126 T127 V128 T199 C200	V126-D216 HydrophobicContact CB-CB 4.41Å; V126-D216 HydrophobicContact CG1-CB 4.04Å; V126-D216 WeakPolarHBondContact O-CB 3.24Å; T127-D216 WeakPolarHBondContact CA-OD2 3.41Å; V128-D216 HydrophobicContact CB-CB 4.49Å; V128-D216 HydrophobicContact CG2-CB 3.87Å; V128-D216 PolarHBondContact N-OD2 3.12Å; T199-D216 WeakPolarHBondContact CA-O 3.46Å; C200-D216 PolarHBondContact N-O 2.91Å; C200-D216 PolarHBondContact O-N 3.37Å
217	S	95.5	Very high	71.5	Confident	51 Å²	51	91.8 Å²	91.8	36%	0.357	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.7	-172.2	-59.9	0	0	0	0	112.4	Y198 T199	Y198-S217 CarbonylContact O-C 3.55Å; Y198-S217 WeakPolarHBondContact O-CA 3.3Å; T199-S217 WeakPolarHBondContact CB-OG 3.49Å; T199-S217 WeakPolarHBondContact CG2-OG 3.32Å; T199-S217 PolarHBondContact OG1-OG 3.35Å
218	L	91.8	Very high	71.9	Confident	36 Å²	36	93.7 Å²	93.7	19%	0.188	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.4	167.5	-75	172.6	0	0	0	109	V128 L142 V197 Y198 F220	V128-L218 HydrophobicContact CB-CD1 4.31Å; V128-L218 HydrophobicContact CB-CG 4.02Å; V128-L218 HydrophobicContact CG1-CB 4.2Å; V128-L218 HydrophobicContact CG1-CD1 3.38Å; V128-L218 HydrophobicContact CG1-CG 3.45Å; V128-L218 VanDerWaalsContact CG1-CG 3.45Å; V128-L218 WeakPolarHBondContact O-CD2 3.07Å; L142-L218 HydrophobicContact CD2-CD1 4.26Å; V197-L218 WeakPolarHBondContact CA-O 3.38Å; Y198-L218 PolarHBondContact N-O 2.98Å; Y198-L218 PolarHBondContact O-N 3.43Å; L218-F220 HydrophobicContact CB-CE2 4.08Å
219	D	88.6	Confident	73	Confident	89 Å²	89	91.5 Å²	91.5	48%	0.476	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.6	173.1	-168.3	-22.1	0	0	0	108.9	V197 S221	V197-D219 HydrophobicContact CG2-CB 4.34Å; D219-S221 VanDerWaalsContact C-N 3.3Å; D219-S221 VanDerWaalsContact OD1-CB 3.24Å; D219-S221 WeakPolarHBondContact OD1-CB 3.41Å; D219-S221 PolarHBondContact OD1-N 3Å; D219-S221 PolarHBondContact OD1-OG 3.11Å; D219-S221 PolarHBondContact OD2-OG 2.94Å; D219-S221 VanDerWaalsContact OD2-OG 3.08Å
220	F	82.6	Confident	73.7	Confident	10 Å²	10	94.2 Å²	94.2	4%	0.044	53%	0.534	C	S	.	.			trans	-94.2	22.6	176.6	-71.9	-89.4	0	0	0	112.5	L142 P192 S194 G195 E196 Y198 L218	L142-F220 HydrophobicContact CD1-CE2 4.23Å; L142-F220 HydrophobicContact CD1-CZ 4.49Å; L142-F220 HydrophobicContact CD2-CE2 4.34Å; L142-F220 HydrophobicContact CD2-CZ 3.8Å; P192-F220 HydrophobicContact CB-CD1 3.8Å; P192-F220 HydrophobicContact CB-CD2 3.9Å; P192-F220 HydrophobicContact CB-CE1 3.79Å; P192-F220 HydrophobicContact CB-CE2 3.88Å; P192-F220 HydrophobicContact CB-CG 3.86Å; P192-F220 HydrophobicContact CB-CZ 3.83Å; P192-F220 HydrophobicContact CG-CD1 4.4Å; P192-F220 HydrophobicContact CG-CE1 3.87Å; P192-F220 HydrophobicContact CG-CE2 4.09Å; P192-F220 HydrophobicContact CG-CZ 3.7Å; S194-F220 WeakPolarHBondContact CA-O 3.44Å; G195-F220 PolarHBondContact N-O 2.99Å; E196-F220 PolarHBondContact O-N 3.18Å; Y198-F220 AromaticContact CD2-CD2 3.71Å; Y198-F220 HydrophobicContact CD2-CD2 3.71Å; Y198-F220 AromaticContact CD2-CE2 3.64Å; Y198-F220 HydrophobicContact CD2-CE2 3.64Å; Y198-F220 HydrophobicContact CE2-CD2 4Å; Y198-F220 HydrophobicContact CE2-CE2 4.08Å; L218-F220 HydrophobicContact CB-CE2 4.08Å
221	S	67.4	Low	74.6	Confident	63 Å²	63	91.7 Å²	91.7	44%	0.441	52%	0.516	S	S	.	.	S	Bend	trans	-78.1	121.2	166.8	54.4	0	0	0	0	110.7	D219	D219-S221 VanDerWaalsContact C-N 3.3Å; D219-S221 VanDerWaalsContact OD1-CB 3.24Å; D219-S221 WeakPolarHBondContact OD1-CB 3.41Å; D219-S221 PolarHBondContact OD1-N 3Å; D219-S221 PolarHBondContact OD1-OG 3.11Å; D219-S221 PolarHBondContact OD2-OG 2.94Å; D219-S221 VanDerWaalsContact OD2-OG 3.08Å
222	Q	55.1	Low	75.6	Confident	177 Å²	177	90.6 Å²	90.6	83%	0.827	50%	0.499	S	S	*	.			trans	70.1	58.9	177.4	-59	-178.2	-1	0	0	117.4
223	Q	53.3	Low	75.7	Confident	126 Å²	126	94.5 Å²	94.5	59%	0.589	51%	0.506	S	S	*	.			trans	-96.8	6.1	153.4	-97	167.8	13.4	0	0	113.8
224	D	41.4	Very low	74.7	Confident	138 Å²	138	98 Å²	98	74%	0.738	52%	0.521	S	S	*	.			trans	-98.5	90.3	168.1	-67	-39.5	0	0	0	109.3
225	S	35.4	Very low	73	Confident	183 Å²	183	97.5 Å²	97.5	100%	1.28	53%	0.533	S	S	*	.			trans	-132.9	0	162.8	61.4	0	0	0	0	110.2

Retrieved 225 of 225 residues in 121.9 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).