A0A087X1F8_HUMAN Loading...

DDB1 and CUL4 associated factor 13

AlphaFold DB , UniProt , Accession A0A087X1F8, Species HUMAN (Homo sapiens, Human), Gene DCAF13, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.1	Very low	61.3	Low	239 Å²	239	142.7 Å²	142.7	100%	1.177	78%	0.78	S	S	*	*				0	108.1	0	-72.7	177.9	-178.8	0	0	104.8	G3	M1-G3 PolarHBondContact O-N 2.7Å
2	D	46.3	Very low	63	Low	168 Å²	168	138.6 Å²	138.6	90%	0.898	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.5	173.8	-74	-53	0	0	0	108.2
3	G	53.1	Low	64.5	Low	64 Å²	64	141 Å²	141	66%	0.66	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-64.1	147.7	178.2	0	0	0	0	0	110.1	M1 G5	M1-G3 PolarHBondContact O-N 2.7Å; G3-G5 PolarHBondContact O-N 3.16Å
4	P	58.5	Low	65.6	Low	95 Å²	95	139.5 Å²	139.5	62%	0.617	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.3	132	-177.7	22.1	-30.9	0	0	0	110.4
5	G	55.6	Low	67	Low	43 Å²	43	136.3 Å²	136.3	44%	0.443	75%	0.746	S	S	.	*	P	Polyproline II helix	trans	-63.3	141.9	173	0	0	0	0	0	109.9	G3 G7 D8	G3-G5 PolarHBondContact O-N 3.16Å; G5-G7 PolarHBondContact O-N 2.9Å; G5-D8 PolarHBondContact O-N 3.12Å
6	Y	56.2	Low	68	Low	247 Å²	247	131 Å²	131	97%	0.969	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	107.9	175.1	-179	-92.6	0	0	0	109.7
7	G	63.6	Low	68.8	Low	69 Å²	69	132 Å²	132	71%	0.711	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.5	-1.4	174.3	0	0	0	0	0	116.5	G5	G5-G7 PolarHBondContact O-N 2.9Å
8	D	68.3	Low	69.1	Low	126 Å²	126	126.6 Å²	126.6	67%	0.674	70%	0.699	S	S	*	*			trans	-82.3	121.5	171.8	-69	-36	0	0	0	110.1	G5 E10	G5-D8 PolarHBondContact O-N 3.12Å; D8-E10 PolarHBondContact O-N 2.93Å
9	E	66.4	Low	69.5	Low	195 Å²	195	131.2 Å²	131.2	91%	0.911	71%	0.711	S	S	*	*			trans	-71.3	90.7	170.4	-71.5	-174.7	164.9	0	0	108.6	E11	E9-E11 PolarHBondContact O-N 3.14Å
10	E	75.2	Confident	70.1	Confident	150 Å²	150	126.5 Å²	126.5	70%	0.701	69%	0.687	S	S	*	*			trans	-72.5	113.8	171.1	-75.2	-171.2	158.5	0	0	109.8	D8	D8-E10 PolarHBondContact O-N 2.93Å
11	E	81.9	Confident	70.9	Confident	174 Å²	174	126.1 Å²	126.1	81%	0.813	69%	0.689	S	S	*	*			trans	-67.3	139.5	169.7	-67	-174.3	169.2	0	0	110	E9 L13	E9-E11 PolarHBondContact O-N 3.14Å; E11-L13 PolarHBondContact O-N 3.36Å
12	P	81.7	Confident	72.8	Confident	93 Å²	93	118.7 Å²	118.7	60%	0.604	65%	0.648	S	S	*	*			trans	-63.3	124.7	179.3	26	-33.7	0	0	0	110.5	H14	P12-H14 VanDerWaalsContact C-N 3.26Å; P12-H14 PolarHBondContact O-N 3.47Å
13	L	82.8	Confident	74.9	Confident	170 Å²	170	114 Å²	114	89%	0.89	63%	0.625	S	S	*	*	S	Bend	trans	-55.9	-41.5	178.1	-70.8	170.5	0	0	0	112.3	E11	E11-L13 PolarHBondContact O-N 3.36Å
14	H	80.5	Confident	76.7	Confident	120 Å²	120	111.9 Å²	111.9	56%	0.556	60%	0.603	S	S	*	*			trans	-139.6	136	178	-72.4	-69.3	0	0	0	111	P12	P12-H14 VanDerWaalsContact C-N 3.26Å; P12-H14 PolarHBondContact O-N 3.47Å
15	T	85.4	Confident	78.4	Confident	92 Å²	92	111.8 Å²	111.8	56%	0.564	60%	0.597	S	S	*	*			trans	-119.9	119.4	172.5	-60.9	0	0	0	0	108.9	L17	T15-L17 HydrophobicContact CG2-CD2 4.06Å; T15-L17 HydrophobicContact CG2-CG 4.41Å
16	I	83.3	Confident	80.3	Confident	51 Å²	51	111.1 Å²	111.1	26%	0.262	58%	0.583	S	S	.	*			trans	-112.4	118.6	177.1	-63.2	167.9	0	0	0	107.6	F34 W44	I16-F34 HydrophobicContact CD1-CE1 4.07Å; I16-F34 HydrophobicContact CD1-CZ 3.6Å; I16-W44 HydrophobicContact CG2-CD2 4.39Å; I16-W44 HydrophobicContact CG2-CE3 3.7Å; I16-W44 HydrophobicContact CG2-CH2 3.94Å; I16-W44 HydrophobicContact CG2-CZ3 3.43Å; I16-W44 VanDerWaalsContact CG2-CZ3 3.43Å
17	L	81.3	Confident	82.1	Confident	148 Å²	148	104.1 Å²	104.1	78%	0.775	56%	0.559	S	S	*	*			trans	-93.6	110.9	-178.4	-63.8	176.9	0	0	0	109.9	T15	T15-L17 HydrophobicContact CG2-CD2 4.06Å; T15-L17 HydrophobicContact CG2-CG 4.41Å
18	G	75.4	Confident	83.5	Confident	34 Å²	34	101.4 Å²	101.4	35%	0.351	53%	0.528	S	S	.	.			trans	-75.3	146.5	173.1	0	0	0	0	0	113.1	T20 Y22	G18-T20 VanDerWaalsContact C-N 3.33Å; G18-Y22 WeakPolarHBondContact CA-OH 3.35Å
19	K	76.3	Confident	84.5	Confident	214 Å²	214	103.2 Å²	103.2	93%	0.93	53%	0.525	S	S	*	.	S	Bend	trans	-81.2	-17.9	170.3	-65	-179.3	-177.8	175.1	0	112.5
20	T	80.8	Confident	85.7	Confident	38 Å²	38	101.7 Å²	101.7	23%	0.233	52%	0.516	C	S	.	.	S	Bend	trans	-126	163.1	-175.1	54.9	0	0	0	0	110.9	G18	G18-T20 VanDerWaalsContact C-N 3.33Å
21	V	86.4	Confident	86.5	Confident	119 Å²	119	99.1 Å²	99.1	72%	0.721	50%	0.503	S	S	*	.			trans	-69.5	130.6	172.9	-178	0	0	0	0	109.4	G38	V21-G38 VanDerWaalsContact O-CA 3.32Å; V21-G38 WeakPolarHBondContact O-CA 3.41Å
22	Y	89.5	Confident	86.9	Confident	83 Å²	83	93 Å²	93	33%	0.325	48%	0.482	S	S	.	.			trans	-93.7	133.8	172.9	-59.6	-62.3	0	0	0	110.5	G18 T36 C37 W44	G18-Y22 WeakPolarHBondContact CA-OH 3.35Å; Y22-T36 HydrophobicContact CD1-CG2 4.37Å; Y22-T36 HydrophobicContact CE1-CG2 4.36Å; Y22-T36 WeakPolarHBondContact CE1-OG1 3.46Å; Y22-C37 CarbonylContact C-O 3.57Å; Y22-C37 VanDerWaalsContact CA-O 3.31Å; Y22-C37 WeakPolarHBondContact CA-O 3.14Å; Y22-W44 VanDerWaalsContact OH-CZ2 3.31Å; Y22-W44 WeakPolarHBondContact OH-CZ2 3.33Å
23	T	90.6	Very high	87.5	Confident	69 Å²	69	89 Å²	89	42%	0.423	46%	0.457	S	S	.	.			trans	-106.6	-24.8	180	49.8	0	0	0	0	112.1	C37 I62	T23-C37 PolarHBondContact N-O 3.04Å; T23-C37 PolarHBondContact OG1-O 3.16Å; T23-C37 VanDerWaalsContact OG1-O 3.07Å; T23-C37 PolarHBondContact OG1-SG 3.06Å; T23-I62 VanDerWaalsContact CB-O 3.31Å; T23-I62 WeakPolarHBondContact CB-O 3.41Å; T23-I62 PolarHBondContact OG1-O 3.04Å
24	G	90.3	Very high	88	Confident	19 Å²	19	81.9 Å²	81.9	20%	0.196	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	158.8	-179.2	0	0	0	0	0	112.2	T36 C37	G24-T36 WeakPolarHBondContact O-CA 3.26Å; G24-C37 WeakPolarHBondContact CA-SG 3.3Å; G24-C37 PolarHBondContact N-SG 3.36Å; G24-C37 PolarHBondContact O-N 3.15Å
25	I	94.3	Very high	88.6	Confident	93 Å²	93	76.1 Å²	76.1	48%	0.477	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	147.8	179.2	-173.1	168.3	0	0	0	108.7	F34 A35 T36	I25-F34 HydrophobicContact CD1-CD2 3.75Å; I25-F34 HydrophobicContact CD1-CE2 4.13Å; I25-F34 HydrophobicContact CG1-CD2 4.07Å; I25-A35 CarbonylContact C-O 3.47Å; I25-A35 VanDerWaalsContact CA-O 3.3Å; I25-A35 WeakPolarHBondContact CA-O 3.43Å; I25-T36 HydrophobicContact CD1-CG2 4.24Å; I25-T36 HydrophobicContact CG1-CG2 4.19Å
26	D	95.4	Very high	88.9	Confident	30 Å²	30	72.1 Å²	72.1	16%	0.16	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	146.5	172.2	-151.9	56.7	0	0	0	110.6	F34 A35 V65 K66 F67	D26-F34 CarbonylContact O-C 3.51Å; D26-F34 WeakPolarHBondContact O-CA 3.05Å; D26-F34 WeakPolarHBondContact O-CB 3.4Å; D26-A35 PolarHBondContact N-O 3.47Å; D26-A35 PolarHBondContact O-N 3.39Å; D26-V65 HydrophobicContact CB-CG1 4.28Å; D26-V65 WeakPolarHBondContact CB-O 3.42Å; D26-K66 IonicContact OD1-NZ 3.47Å; D26-K66 PolarHBondContact OD1-NZ 3.43Å; D26-K66 WeakPolarHBondContact OD2-CA 3.5Å; D26-F67 HydrophobicContact CB-CD2 4.03Å; D26-F67 WeakPolarHBondContact O-CE2 3.31Å; D26-F67 PolarHBondContact OD2-N 3.44Å
27	H	94	Very high	89.3	Confident	100 Å²	100	69.8 Å²	69.8	46%	0.463	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.3	-179.2	-77.4	-99.3	0	0	0	111.5	E46 F67	H27-E46 IonicContact ND1-OE1 3.99Å; H27-F67 VanDerWaalsContact C-CD2 3.48Å; H27-F67 WeakPolarHBondContact O-CD2 3.09Å
28	H	94.3	Very high	89.6	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.056	32%	0.32	C	S	.	.			trans	-69.9	141.9	170.1	-172.2	-97.9	0	0	0	109.9	K30 E31 V33 F67 T72	H28-K30 VanDerWaalsContact C-N 3.33Å; H28-K30 PolarHBondContact ND1-N 3.26Å; H28-K30 PolarHBondContact O-N 3.02Å; H28-E31 WeakPolarHBondContact ND1-CB 3.25Å; H28-E31 PolarHBondContact ND1-N 2.87Å; H28-V33 HydrophobicContact CB-CB 4.02Å; H28-V33 WeakPolarHBondContact CB-O 3.37Å; H28-V33 PolarHBondContact N-O 3.02Å; H28-F67 HydrophobicContact CB-CE1 4.48Å; H28-F67 HydrophobicContact CB-CE2 4.46Å; H28-F67 HydrophobicContact CB-CZ 4.36Å; H28-F67 AromaticContact CD2-CE1 3.94Å; H28-T72 PolarHBondContact CD2-O 2.95Å; H28-T72 PolarHBondContact CE1-OG1 2.83Å; H28-T72 WeakPolarHBondContact NE2-CB 3.36Å; H28-T72 PolarHBondContact NE2-O 2.85Å; H28-T72 PolarHBondContact NE2-OG1 2.97Å; H28-T72 VanDerWaalsContact NE2-OG1 3.14Å
29	W	89.9	Confident	90.2	Very high	164 Å²	164	67 Å²	67	62%	0.621	33%	0.33	S	S	*	.	S	Bend	trans	-75	-17.6	-170.6	-75.6	78.7	0	0	0	115	P69 T72	W29-P69 HydrophobicContact CD2-CB 3.94Å; W29-P69 HydrophobicContact CE3-CB 4.45Å; W29-P69 HydrophobicContact CG-CB 4.38Å; W29-P69 HydrophobicContact CH2-CB 4.33Å; W29-P69 HydrophobicContact CZ2-CB 3.82Å; W29-T72 HydrophobicContact CB-CG2 4.19Å
30	K	91.1	Very high	90.7	Very high	162 Å²	162	59.2 Å²	59.2	70%	0.704	30%	0.297	S	S	*	.	S	Bend	trans	-126.7	-25.6	-173.4	-69.9	178.8	-177.6	167.9	0	115.2	H28 T72	H28-K30 VanDerWaalsContact C-N 3.33Å; H28-K30 PolarHBondContact ND1-N 3.26Å; H28-K30 PolarHBondContact O-N 3.02Å; K30-T72 HydrophobicContact CD-CG2 3.97Å; K30-T72 HydrophobicContact CG-CG2 4.19Å
31	E	91.8	Very high	91.2	Very high	96 Å²	96	57.4 Å²	57.4	45%	0.449	29%	0.286	S	S	.	.	S	Bend	trans	-120.2	155.3	-171.1	-63.5	-178.1	178.8	0	0	107.7	H28 V33	H28-E31 WeakPolarHBondContact ND1-CB 3.25Å; H28-E31 PolarHBondContact ND1-N 2.87Å; E31-V33 HydrophobicContact CB-CG2 4.15Å; E31-V33 PolarHBondContact O-N 3.22Å
32	A	90.7	Very high	91.4	Very high	45 Å²	45	52 Å²	52	37%	0.372	25%	0.253	S	S	.	.	S	Bend	trans	-74.4	52.8	176.4	0	0	0	0	0	111.5	E46	A32-E46 HydrophobicContact CB-CB 4.29Å; A32-E46 HydrophobicContact CB-CG 4.2Å; A32-E46 WeakPolarHBondContact CB-OE2 3.43Å; A32-E46 PolarHBondContact O-N 3.44Å
33	V	92.8	Very high	91.5	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143	-178.2	174.4	0	0	0	0	108.1	H28 E31 I43 W44 I52 M89	H28-V33 HydrophobicContact CB-CB 4.02Å; H28-V33 WeakPolarHBondContact CB-O 3.37Å; H28-V33 PolarHBondContact N-O 3.02Å; E31-V33 HydrophobicContact CB-CG2 4.15Å; E31-V33 PolarHBondContact O-N 3.22Å; V33-I43 HydrophobicContact CG1-CG2 3.43Å; V33-I43 VanDerWaalsContact CG1-CG2 3.43Å; V33-W44 CarbonylContact C-O 3.49Å; V33-W44 VanDerWaalsContact CA-O 3.24Å; V33-W44 WeakPolarHBondContact CA-O 3.41Å; V33-W44 VanDerWaalsContact CG1-O 3.3Å; V33-W44 WeakPolarHBondContact CG1-O 3.44Å; V33-I52 HydrophobicContact CG2-CD1 4.43Å; V33-M89 HydrophobicContact CB-CE 4.2Å; V33-M89 HydrophobicContact CG1-CE 3.67Å; V33-M89 HydrophobicContact CG2-CE 4.01Å
34	F	93.4	Very high	91.6	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.088	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156	173.1	65	-86.5	0	0	0	110.8	I16 I25 D26 T36 W44 E46	I16-F34 HydrophobicContact CD1-CE1 4.07Å; I16-F34 HydrophobicContact CD1-CZ 3.6Å; I25-F34 HydrophobicContact CD1-CD2 3.75Å; I25-F34 HydrophobicContact CD1-CE2 4.13Å; I25-F34 HydrophobicContact CG1-CD2 4.07Å; D26-F34 CarbonylContact O-C 3.51Å; D26-F34 WeakPolarHBondContact O-CA 3.05Å; D26-F34 WeakPolarHBondContact O-CB 3.4Å; F34-T36 HydrophobicContact CD2-CG2 3.86Å; F34-T36 HydrophobicContact CE2-CG2 3.7Å; F34-W44 HydrophobicContact CD1-CB 3.99Å; F34-W44 HydrophobicContact CD2-CB 4Å; F34-W44 HydrophobicContact CD2-CG 4.26Å; F34-W44 HydrophobicContact CE1-CB 3.49Å; F34-W44 VanDerWaalsContact CE1-CB 3.49Å; F34-W44 HydrophobicContact CE1-CG 4.39Å; F34-W44 HydrophobicContact CE2-CB 3.52Å; F34-W44 AromaticContact CE2-CD1 3.58Å; F34-W44 HydrophobicContact CE2-CD2 4.46Å; F34-W44 AromaticContact CE2-CG 3.58Å; F34-W44 HydrophobicContact CE2-CG 3.58Å; F34-W44 HydrophobicContact CG-CB 4.22Å; F34-W44 HydrophobicContact CZ-CB 3.23Å; F34-W44 HydrophobicContact CZ-CD2 4.4Å; F34-W44 AromaticContact CZ-CG 3.65Å; F34-W44 HydrophobicContact CZ-CG 3.65Å; F34-W44 PolarHBondContact N-O 2.82Å; F34-W44 PolarHBondContact O-N 3.04Å; F34-E46 HydrophobicContact CD1-CG 4.09Å; F34-E46 HydrophobicContact CE1-CG 4.25Å
35	A	93.1	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.5	177.4	0	0	0	0	0	109	I25 D26 D42 V65 F67	I25-A35 CarbonylContact C-O 3.47Å; I25-A35 VanDerWaalsContact CA-O 3.3Å; I25-A35 WeakPolarHBondContact CA-O 3.43Å; D26-A35 PolarHBondContact N-O 3.47Å; D26-A35 PolarHBondContact O-N 3.39Å; A35-D42 CarbonylContact C-O 3.54Å; A35-D42 WeakPolarHBondContact CA-O 3.15Å; A35-V65 HydrophobicContact CB-CG1 4.44Å; A35-V65 HydrophobicContact CB-CG2 4.07Å; A35-F67 HydrophobicContact CB-CD2 4.41Å; A35-F67 HydrophobicContact CB-CE2 3.41Å; A35-F67 VanDerWaalsContact CB-CE2 3.41Å; A35-F67 HydrophobicContact CB-CZ 3.61Å
36	T	92.8	Very high	91.3	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.3	172.2	61.4	0	0	0	0	109.2	Y22 G24 I25 F34 V41 D42 W44	Y22-T36 HydrophobicContact CD1-CG2 4.37Å; Y22-T36 HydrophobicContact CE1-CG2 4.36Å; Y22-T36 WeakPolarHBondContact CE1-OG1 3.46Å; G24-T36 WeakPolarHBondContact O-CA 3.26Å; I25-T36 HydrophobicContact CD1-CG2 4.24Å; I25-T36 HydrophobicContact CG1-CG2 4.19Å; F34-T36 HydrophobicContact CD2-CG2 3.86Å; F34-T36 HydrophobicContact CE2-CG2 3.7Å; T36-V41 WeakPolarHBondContact O-CA 3.24Å; T36-D42 PolarHBondContact N-O 3.04Å; T36-D42 PolarHBondContact O-N 3.35Å; T36-D42 PolarHBondContact OG1-O 2.8Å; T36-W44 PolarHBondContact OG1-NE1 3.12Å
37	C	91.1	Very high	90.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152	171.2	64	0	0	0	0	112	Y22 T23 G24 I62 V65	Y22-C37 CarbonylContact C-O 3.57Å; Y22-C37 VanDerWaalsContact CA-O 3.31Å; Y22-C37 WeakPolarHBondContact CA-O 3.14Å; T23-C37 PolarHBondContact N-O 3.04Å; T23-C37 PolarHBondContact OG1-O 3.16Å; T23-C37 VanDerWaalsContact OG1-O 3.07Å; T23-C37 PolarHBondContact OG1-SG 3.06Å; G24-C37 WeakPolarHBondContact CA-SG 3.3Å; G24-C37 PolarHBondContact N-SG 3.36Å; G24-C37 PolarHBondContact O-N 3.15Å; C37-I62 HydrophobicContact CB-CB 4.02Å; C37-I62 HydrophobicContact CB-CG2 3.63Å; C37-V65 HydrophobicContact CB-CB 4.03Å; C37-V65 HydrophobicContact CB-CG1 4.03Å
38	G	88.3	Confident	90.5	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-167.7	-113	176.8	0	0	0	0	0	108.4	V21 Q40 I62	V21-G38 VanDerWaalsContact O-CA 3.32Å; V21-G38 WeakPolarHBondContact O-CA 3.41Å; G38-Q40 VanDerWaalsContact C-N 3.29Å; G38-Q40 PolarHBondContact N-O 2.82Å; G38-Q40 VanDerWaalsContact N-O 3.15Å; G38-I62 WeakPolarHBondContact O-CB 3.48Å; G38-I62 PolarHBondContact O-N 3Å
39	Q	86.9	Confident	90	Very high	121 Å²	121	56.6 Å²	56.6	57%	0.565	27%	0.267	S	S	*	.	S	Bend	trans	-74.1	-23.7	167.3	-68.4	-177.7	-23.5	0	0	112.8
40	Q	88.4	Confident	89.8	Confident	50 Å²	50	54.6 Å²	54.6	23%	0.234	27%	0.268	C	S	.	.	S	Bend	trans	-142.1	167.2	-178.9	62.6	-173.4	14.8	0	0	109.4	G38 D42 S54 T56	G38-Q40 VanDerWaalsContact C-N 3.29Å; G38-Q40 PolarHBondContact N-O 2.82Å; G38-Q40 VanDerWaalsContact N-O 3.15Å; Q40-D42 WeakPolarHBondContact CG-OD1 3.43Å; Q40-D42 PolarHBondContact NE2-OD1 2.83Å; Q40-D42 PolarHBondContact NE2-OD2 2.75Å; Q40-S54 PolarHBondContact NE2-OG 3.09Å; Q40-S54 PolarHBondContact OE1-OG 2.84Å; Q40-T56 HydrophobicContact CB-CG2 3.78Å
41	V	90.6	Very high	89.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.1	171.8	-176.5	0	0	0	0	108.2	T36 M55 I62 V65 L75 Y87	T36-V41 WeakPolarHBondContact O-CA 3.24Å; V41-M55 HydrophobicContact CB-CE 4.19Å; V41-M55 HydrophobicContact CG1-CE 3.87Å; V41-M55 PolarHBondContact N-O 3.15Å; V41-M55 PolarHBondContact O-N 2.9Å; V41-I62 HydrophobicContact CG2-CD1 3.45Å; V41-I62 VanDerWaalsContact CG2-CD1 3.45Å; V41-V65 HydrophobicContact CG1-CG2 4.3Å; V41-L75 HydrophobicContact CG1-CD1 3.84Å; V41-Y87 HydrophobicContact CG2-CE2 4.01Å
42	D	90.8	Very high	89.4	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.032	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.1	178	-66.5	-35.2	0	0	0	109.7	A35 T36 Q40 W44 P51 C53 S54	A35-D42 CarbonylContact C-O 3.54Å; A35-D42 WeakPolarHBondContact CA-O 3.15Å; T36-D42 PolarHBondContact N-O 3.04Å; T36-D42 PolarHBondContact O-N 3.35Å; T36-D42 PolarHBondContact OG1-O 2.8Å; Q40-D42 WeakPolarHBondContact CG-OD1 3.43Å; Q40-D42 PolarHBondContact NE2-OD1 2.83Å; Q40-D42 PolarHBondContact NE2-OD2 2.75Å; D42-W44 HydrophobicContact CB-CZ2 4.04Å; D42-P51 HydrophobicContact CB-CB 4.18Å; D42-C53 WeakPolarHBondContact CA-O 3.37Å; D42-S54 VanDerWaalsContact OD1-CA 3.31Å; D42-S54 WeakPolarHBondContact OD1-CA 3.43Å; D42-S54 WeakPolarHBondContact OD1-CB 3.44Å; D42-S54 PolarHBondContact OD1-OG 3.49Å
43	I	91.9	Very high	89.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.1	176.4	-57.2	-179.7	0	0	0	108.2	V33 P51 I52 C53 M55 L75 M89	V33-I43 HydrophobicContact CG1-CG2 3.43Å; V33-I43 VanDerWaalsContact CG1-CG2 3.43Å; I43-P51 CarbonylContact O-C 3.56Å; I43-P51 WeakPolarHBondContact O-CA 3.42Å; I43-I52 HydrophobicContact CG2-CD1 4.41Å; I43-I52 PolarHBondContact O-N 2.98Å; I43-C53 HydrophobicContact CB-CB 4.24Å; I43-C53 HydrophobicContact CD1-CB 4.36Å; I43-C53 PolarHBondContact N-O 2.87Å; I43-C53 PolarHBondContact O-N 3.01Å; I43-M55 HydrophobicContact CD1-CE 3.68Å; I43-M55 HydrophobicContact CG1-CE 4Å; I43-L75 HydrophobicContact CD1-CD2 4.15Å; I43-M89 HydrophobicContact CD1-CB 4.08Å; I43-M89 HydrophobicContact CD1-CG 3.63Å; I43-M89 HydrophobicContact CG2-CE 4.47Å; I43-M89 HydrophobicContact CG2-CG 4.38Å
44	W	91.9	Very high	89	Confident	10 Å²	10	49.6 Å²	49.6	4%	0.038	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.8	-173	-58	85.5	0	0	0	110.9	I16 Y22 V33 F34 T36 D42 T49 P51	I16-W44 HydrophobicContact CG2-CD2 4.39Å; I16-W44 HydrophobicContact CG2-CE3 3.7Å; I16-W44 HydrophobicContact CG2-CH2 3.94Å; I16-W44 HydrophobicContact CG2-CZ3 3.43Å; I16-W44 VanDerWaalsContact CG2-CZ3 3.43Å; Y22-W44 VanDerWaalsContact OH-CZ2 3.31Å; Y22-W44 WeakPolarHBondContact OH-CZ2 3.33Å; V33-W44 CarbonylContact C-O 3.49Å; V33-W44 VanDerWaalsContact CA-O 3.24Å; V33-W44 WeakPolarHBondContact CA-O 3.41Å; V33-W44 VanDerWaalsContact CG1-O 3.3Å; V33-W44 WeakPolarHBondContact CG1-O 3.44Å; F34-W44 HydrophobicContact CD1-CB 3.99Å; F34-W44 HydrophobicContact CD2-CB 4Å; F34-W44 HydrophobicContact CD2-CG 4.26Å; F34-W44 HydrophobicContact CE1-CB 3.49Å; F34-W44 VanDerWaalsContact CE1-CB 3.49Å; F34-W44 HydrophobicContact CE1-CG 4.39Å; F34-W44 HydrophobicContact CE2-CB 3.52Å; F34-W44 AromaticContact CE2-CD1 3.58Å; F34-W44 HydrophobicContact CE2-CD2 4.46Å; F34-W44 AromaticContact CE2-CG 3.58Å; F34-W44 HydrophobicContact CE2-CG 3.58Å; F34-W44 HydrophobicContact CG-CB 4.22Å; F34-W44 HydrophobicContact CZ-CB 3.23Å; F34-W44 HydrophobicContact CZ-CD2 4.4Å; F34-W44 AromaticContact CZ-CG 3.65Å; F34-W44 HydrophobicContact CZ-CG 3.65Å; F34-W44 PolarHBondContact N-O 2.82Å; F34-W44 PolarHBondContact O-N 3.04Å; T36-W44 PolarHBondContact OG1-NE1 3.12Å; D42-W44 HydrophobicContact CB-CZ2 4.04Å; W44-T49 WeakPolarHBondContact CZ3-O 3.3Å; W44-P51 HydrophobicContact CD2-CB 4Å; W44-P51 HydrophobicContact CE3-CB 4.06Å; W44-P51 HydrophobicContact CH2-CB 4.03Å; W44-P51 HydrophobicContact CH2-CG 3.99Å; W44-P51 HydrophobicContact CZ2-CB 3.93Å; W44-P51 HydrophobicContact CZ2-CG 4.2Å; W44-P51 HydrophobicContact CZ3-CB 4.09Å; W44-P51 VanDerWaalsContact CZ3-CD 3.45Å; W44-P51 HydrophobicContact CZ3-CG 4.25Å; W44-P51 VanDerWaalsContact CZ3-N 3.34Å
45	D	91.1	Very high	88.6	Confident	36 Å²	36	48.8 Å²	48.8	19%	0.193	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.3	165.8	-175.5	-13.9	0	0	0	106.8	Q47 R48 I52	D45-Q47 PolarHBondContact O-N 3.02Å; D45-Q47 VanDerWaalsContact O-N 3.12Å; D45-Q47 PolarHBondContact OD1-N 3.21Å; D45-Q47 VanDerWaalsContact OD1-N 3.16Å; D45-R48 HydrophobicContact CB-CB 4.03Å; D45-R48 HydrophobicContact CB-CG 3.86Å; D45-R48 PolarHBondContact O-N 3.45Å; D45-R48 IonicContact OD2-NE 3.86Å; D45-R48 PolarHBondContact OD2-NE 3.08Å; D45-I52 HydrophobicContact CB-CD1 3.65Å; D45-I52 HydrophobicContact CB-CG1 3.95Å
46	E	86.5	Confident	87.9	Confident	72 Å²	72	53.4 Å²	53.4	34%	0.336	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	178	-71.8	177.5	-175.6	0	0	112.5	H27 A32 F34	H27-E46 IonicContact ND1-OE1 3.99Å; A32-E46 HydrophobicContact CB-CB 4.29Å; A32-E46 HydrophobicContact CB-CG 4.2Å; A32-E46 WeakPolarHBondContact CB-OE2 3.43Å; A32-E46 PolarHBondContact O-N 3.44Å; F34-E46 HydrophobicContact CD1-CG 4.09Å; F34-E46 HydrophobicContact CE1-CG 4.25Å
47	Q	87.4	Confident	86.9	Confident	138 Å²	138	57.3 Å²	57.3	65%	0.645	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.3	-178.7	-58.3	-59.2	-47.5	0	0	113.5	D45	D45-Q47 PolarHBondContact O-N 3.02Å; D45-Q47 VanDerWaalsContact O-N 3.12Å; D45-Q47 PolarHBondContact OD1-N 3.21Å; D45-Q47 VanDerWaalsContact OD1-N 3.16Å
48	R	84.8	Confident	85.8	Confident	144 Å²	144	61 Å²	61	54%	0.543	33%	0.329	S	S	.	.			trans	-113.8	139.8	-172.3	-61.2	-178.1	-179.8	-165.7	-3.1	111.9	D45 N50	D45-R48 HydrophobicContact CB-CB 4.03Å; D45-R48 HydrophobicContact CB-CG 3.86Å; D45-R48 PolarHBondContact O-N 3.45Å; D45-R48 IonicContact OD2-NE 3.86Å; D45-R48 PolarHBondContact OD2-NE 3.08Å; R48-N50 VanDerWaalsContact C-N 3.35Å
49	T	84.5	Confident	85	Confident	102 Å²	102	62.1 Å²	62.1	63%	0.626	33%	0.333	S	S	*	.	S	Bend	trans	-82	-13.7	175.2	-37.5	0	0	0	0	113.4	W44	W44-T49 WeakPolarHBondContact CZ3-O 3.3Å
50	N	85.3	Confident	84.1	Confident	122 Å²	122	62.6 Å²	62.6	65%	0.652	34%	0.34	S	S	*	.	S	Bend	trans	-112.4	147.2	179.1	-67.6	-50.7	0	0	0	109.9	R48	R48-N50 VanDerWaalsContact C-N 3.35Å
51	P	87.4	Confident	84	Confident	48 Å²	48	62.4 Å²	62.4	31%	0.312	34%	0.344	S	S	.	.			trans	-65.8	140.6	178.7	27.8	-31.6	0	0	0	109.9	D42 I43 W44	D42-P51 HydrophobicContact CB-CB 4.18Å; I43-P51 CarbonylContact O-C 3.56Å; I43-P51 WeakPolarHBondContact O-CA 3.42Å; W44-P51 HydrophobicContact CD2-CB 4Å; W44-P51 HydrophobicContact CE3-CB 4.06Å; W44-P51 HydrophobicContact CH2-CB 4.03Å; W44-P51 HydrophobicContact CH2-CG 3.99Å; W44-P51 HydrophobicContact CZ2-CB 3.93Å; W44-P51 HydrophobicContact CZ2-CG 4.2Å; W44-P51 HydrophobicContact CZ3-CB 4.09Å; W44-P51 VanDerWaalsContact CZ3-CD 3.45Å; W44-P51 HydrophobicContact CZ3-CG 4.25Å; W44-P51 VanDerWaalsContact CZ3-N 3.34Å
52	I	88.6	Confident	84.1	Confident	80 Å²	80	62.6 Å²	62.6	41%	0.41	35%	0.345	S	S	.	.	S	Bend	trans	-66.6	-45.1	173.5	-58.2	164.1	0	0	0	109.5	V33 I43 D45	V33-I52 HydrophobicContact CG2-CD1 4.43Å; I43-I52 HydrophobicContact CG2-CD1 4.41Å; I43-I52 PolarHBondContact O-N 2.98Å; D45-I52 HydrophobicContact CB-CD1 3.65Å; D45-I52 HydrophobicContact CB-CG1 3.95Å
53	C	86.8	Confident	84	Confident	26 Å²	26	64.4 Å²	64.4	18%	0.176	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.3	-176.1	-169.3	0	0	0	0	109.4	D42 I43	D42-C53 WeakPolarHBondContact CA-O 3.37Å; I43-C53 HydrophobicContact CB-CB 4.24Å; I43-C53 HydrophobicContact CD1-CB 4.36Å; I43-C53 PolarHBondContact N-O 2.87Å; I43-C53 PolarHBondContact O-N 3.01Å
54	S	87.7	Confident	84	Confident	53 Å²	53	65.1 Å²	65.1	37%	0.371	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.9	175.4	-173.9	0	0	0	0	108.2	Q40 D42	Q40-S54 PolarHBondContact NE2-OG 3.09Å; Q40-S54 PolarHBondContact OE1-OG 2.84Å; D42-S54 VanDerWaalsContact OD1-CA 3.31Å; D42-S54 WeakPolarHBondContact OD1-CA 3.43Å; D42-S54 WeakPolarHBondContact OD1-CB 3.44Å; D42-S54 PolarHBondContact OD1-OG 3.49Å
55	M	84	Confident	84.2	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.02	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.3	-175.2	-65.6	177.9	-68.3	0	0	109.4	V41 I43 L75 Y87	V41-M55 HydrophobicContact CB-CE 4.19Å; V41-M55 HydrophobicContact CG1-CE 3.87Å; V41-M55 PolarHBondContact N-O 3.15Å; V41-M55 PolarHBondContact O-N 2.9Å; I43-M55 HydrophobicContact CD1-CE 3.68Å; I43-M55 HydrophobicContact CG1-CE 4Å; M55-L75 HydrophobicContact CE-CD1 4.12Å; M55-L75 HydrophobicContact CE-CD2 4.28Å; M55-Y87 HydrophobicContact CB-CD1 4.05Å; M55-Y87 HydrophobicContact CB-CE1 4.05Å; M55-Y87 HydrophobicContact CE-CD1 3.9Å; M55-Y87 HydrophobicContact CE-CG 3.94Å; M55-Y87 HydrophobicContact CG-CD1 4.39Å; M55-Y87 HydrophobicContact SD-CD1 3.52Å; M55-Y87 VanDerWaalsContact SD-CD1 3.52Å; M55-Y87 HydrophobicContact SD-CE1 4.44Å; M55-Y87 HydrophobicContact SD-CG 3.94Å
56	T	79.7	Confident	84.4	Confident	96 Å²	96	65.1 Å²	65.1	59%	0.589	36%	0.362	S	S	*	.			trans	-109.9	141	-179.2	50.4	0	0	0	0	111	Q40	Q40-T56 HydrophobicContact CB-CG2 3.78Å
57	W	70.3	Confident	84.8	Confident	91 Å²	91	61.9 Å²	61.9	35%	0.345	35%	0.347	S	S	.	.			trans	-126.1	-6.5	175.6	-104.2	84.2	0	0	0	113.7	F59 P94 K97	W57-F59 HydrophobicContact CB-CD2 3.4Å; W57-F59 HydrophobicContact CB-CE2 3.16Å; W57-F59 HydrophobicContact CB-CG 4.28Å; W57-F59 HydrophobicContact CB-CZ 3.88Å; W57-F59 AromaticContact CD2-CE2 3.74Å; W57-F59 HydrophobicContact CD2-CE2 3.74Å; W57-F59 AromaticContact CD2-CZ 3.87Å; W57-F59 HydrophobicContact CD2-CZ 3.87Å; W57-F59 HydrophobicContact CE3-CE1 4.46Å; W57-F59 AromaticContact CE3-CE2 3.92Å; W57-F59 HydrophobicContact CE3-CE2 3.92Å; W57-F59 AromaticContact CE3-CZ 3.54Å; W57-F59 HydrophobicContact CE3-CZ 3.54Å; W57-F59 HydrophobicContact CG-CD2 4.18Å; W57-F59 AromaticContact CG-CE2 3.47Å; W57-F59 HydrophobicContact CG-CE2 3.47Å; W57-F59 VanDerWaalsContact CG-CE2 3.47Å; W57-F59 HydrophobicContact CG-CZ 4.07Å; W57-F59 HydrophobicContact CZ3-CZ 4.38Å; W57-P94 HydrophobicContact CZ2-CB 3.79Å; W57-P94 HydrophobicContact CZ2-CG 3.45Å; W57-P94 VanDerWaalsContact CZ2-CG 3.45Å; W57-K97 HydrophobicContact CH2-CB 4.42Å; W57-K97 HydrophobicContact CH2-CD 3.66Å; W57-K97 HydrophobicContact CH2-CG 4.12Å; W57-K97 HydrophobicContact CZ3-CD 3.77Å
58	G	69	Low	85.2	Confident	77 Å²	77	55.3 Å²	55.3	79%	0.794	32%	0.316	S	S	*	.			trans	77.4	27.5	-171.6	0	0	0	0	0	114.1
59	F	71.6	Confident	85.6	Confident	27 Å²	27	49.7 Å²	49.7	12%	0.118	30%	0.298	C	S	.	.			trans	-84.6	149.6	168.1	-58.4	-54.7	0	0	0	110.4	W57 A79 D81 N83 V85	W57-F59 HydrophobicContact CB-CD2 3.4Å; W57-F59 HydrophobicContact CB-CE2 3.16Å; W57-F59 HydrophobicContact CB-CG 4.28Å; W57-F59 HydrophobicContact CB-CZ 3.88Å; W57-F59 AromaticContact CD2-CE2 3.74Å; W57-F59 HydrophobicContact CD2-CE2 3.74Å; W57-F59 AromaticContact CD2-CZ 3.87Å; W57-F59 HydrophobicContact CD2-CZ 3.87Å; W57-F59 HydrophobicContact CE3-CE1 4.46Å; W57-F59 AromaticContact CE3-CE2 3.92Å; W57-F59 HydrophobicContact CE3-CE2 3.92Å; W57-F59 AromaticContact CE3-CZ 3.54Å; W57-F59 HydrophobicContact CE3-CZ 3.54Å; W57-F59 HydrophobicContact CG-CD2 4.18Å; W57-F59 AromaticContact CG-CE2 3.47Å; W57-F59 HydrophobicContact CG-CE2 3.47Å; W57-F59 VanDerWaalsContact CG-CE2 3.47Å; W57-F59 HydrophobicContact CG-CZ 4.07Å; W57-F59 HydrophobicContact CZ3-CZ 4.38Å; F59-A79 HydrophobicContact CB-CB 4.46Å; F59-A79 HydrophobicContact CD1-CB 4.48Å; F59-A79 HydrophobicContact CD2-CB 4.22Å; F59-A79 HydrophobicContact CG-CB 4.12Å; F59-D81 HydrophobicContact CD1-CB 4.48Å; F59-D81 WeakPolarHBondContact CD1-OD2 3.22Å; F59-N83 HydrophobicContact CE1-CB 4.47Å; F59-N83 WeakPolarHBondContact CE1-ND2 3.38Å; F59-N83 HydrophobicContact CZ-CB 4.31Å; F59-N83 WeakPolarHBondContact CZ-ND2 3.45Å; F59-V85 HydrophobicContact CE2-CG2 3.72Å; F59-V85 HydrophobicContact CZ-CG2 4.19Å
60	D	68	Low	86.1	Confident	132 Å²	132	47.8 Å²	47.8	71%	0.706	28%	0.284	S	S	*	.	S	Bend	trans	-77.1	-34.2	-178.3	-124.5	-4	0	0	0	111.8
61	S	86.7	Confident	86.4	Confident	46 Å²	46	45.7 Å²	45.7	32%	0.322	27%	0.27	S	S	.	.			trans	-158.8	138.5	179.7	-171.5	0	0	0	0	113.1	S80	S61-S80 PolarHBondContact O-N 2.92Å; S61-S80 PolarHBondContact O-OG 2.81Å
62	I	91.3	Very high	86.6	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.3	173.4	-57.3	178.2	0	0	0	107.3	T23 C37 G38 V41 C78	T23-I62 VanDerWaalsContact CB-O 3.31Å; T23-I62 WeakPolarHBondContact CB-O 3.41Å; T23-I62 PolarHBondContact OG1-O 3.04Å; C37-I62 HydrophobicContact CB-CB 4.02Å; C37-I62 HydrophobicContact CB-CG2 3.63Å; G38-I62 WeakPolarHBondContact O-CB 3.48Å; G38-I62 PolarHBondContact O-N 3Å; V41-I62 HydrophobicContact CG2-CD1 3.45Å; V41-I62 VanDerWaalsContact CG2-CD1 3.45Å; I62-C78 CarbonylContact C-O 3.55Å; I62-C78 WeakPolarHBondContact CA-O 3.38Å; I62-C78 VanDerWaalsContact CG2-O 3.24Å; I62-C78 WeakPolarHBondContact CG2-O 3.33Å
63	S	90.3	Very high	86.7	Confident	45 Å²	45	43.2 Å²	43.2	32%	0.315	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-39.5	-176.1	60.1	0	0	0	0	113.3	C78 N105	S63-C78 PolarHBondContact N-O 2.75Å; S63-C78 WeakPolarHBondContact OG-CB 3.48Å; S63-C78 PolarHBondContact OG-O 2.86Å; S63-N105 PolarHBondContact OG-O 2.84Å
64	S	92.1	Very high	87	Confident	15 Å²	15	42.6 Å²	42.6	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.4	-172.1	-176.9	0	0	0	0	110.7	S77 C78 T106	S64-S77 VanDerWaalsContact O-CA 3.25Å; S64-S77 WeakPolarHBondContact O-CA 3.34Å; S64-C78 PolarHBondContact O-N 3.18Å; S64-T106 PolarHBondContact OG-OG1 2.94Å
65	V	94.6	Very high	87.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.2	171.7	64.7	0	0	0	0	109	D26 A35 C37 V41 L75 G76	D26-V65 HydrophobicContact CB-CG1 4.28Å; D26-V65 WeakPolarHBondContact CB-O 3.42Å; A35-V65 HydrophobicContact CB-CG1 4.44Å; A35-V65 HydrophobicContact CB-CG2 4.07Å; C37-V65 HydrophobicContact CB-CB 4.03Å; C37-V65 HydrophobicContact CB-CG1 4.03Å; V41-V65 HydrophobicContact CG1-CG2 4.3Å; V65-L75 HydrophobicContact CG2-CD1 4.07Å; V65-G76 WeakPolarHBondContact CA-O 3.31Å
66	K	95.8	Very high	87.8	Confident	46 Å²	46	39.9 Å²	39.9	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.3	177.6	-71.2	-76.4	157.6	-92.7	0	111.8	D26 L75 G76 I107 W109	D26-K66 IonicContact OD1-NZ 3.47Å; D26-K66 PolarHBondContact OD1-NZ 3.43Å; D26-K66 WeakPolarHBondContact OD2-CA 3.5Å; K66-L75 WeakPolarHBondContact O-CA 3.36Å; K66-G76 PolarHBondContact N-O 2.84Å; K66-G76 PolarHBondContact O-N 3Å; K66-I107 HydrophobicContact CB-CD1 4.17Å; K66-I107 HydrophobicContact CB-CG1 4.14Å; K66-I107 HydrophobicContact CG-CG1 4.27Å; K66-I107 WeakPolarHBondContact CG-O 3.44Å; K66-W109 PolarHBondContact O-NE1 3.24Å
67	F	95.8	Very high	88.4	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146	169.7	-80.5	-77.9	0	0	0	111.2	D26 H27 H28 A35 L75 W109	D26-F67 HydrophobicContact CB-CD2 4.03Å; D26-F67 WeakPolarHBondContact O-CE2 3.31Å; D26-F67 PolarHBondContact OD2-N 3.44Å; H27-F67 VanDerWaalsContact C-CD2 3.48Å; H27-F67 WeakPolarHBondContact O-CD2 3.09Å; H28-F67 HydrophobicContact CB-CE1 4.48Å; H28-F67 HydrophobicContact CB-CE2 4.46Å; H28-F67 HydrophobicContact CB-CZ 4.36Å; H28-F67 AromaticContact CD2-CE1 3.94Å; A35-F67 HydrophobicContact CB-CD2 4.41Å; A35-F67 HydrophobicContact CB-CE2 3.41Å; A35-F67 VanDerWaalsContact CB-CE2 3.41Å; A35-F67 HydrophobicContact CB-CZ 3.61Å; F67-L75 HydrophobicContact CD1-CB 4.08Å; F67-L75 HydrophobicContact CE1-CB 4.22Å; F67-L75 HydrophobicContact CE1-CD2 4.14Å; F67-W109 VanDerWaalsContact C-CD1 3.49Å
68	N	95.4	Very high	89.5	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.			trans	-77.1	127.4	170.2	-176.9	-25.4	0	0	0	109.9	I70 E71 T72 L74 W109 A114	N68-I70 VanDerWaalsContact C-N 3.34Å; N68-I70 PolarHBondContact O-N 2.71Å; N68-I70 PolarHBondContact OD1-N 2.94Å; N68-E71 WeakPolarHBondContact CB-O 3.22Å; N68-E71 PolarHBondContact OD1-N 2.95Å; N68-T72 WeakPolarHBondContact O-CA 3.38Å; N68-L74 HydrophobicContact CB-CB 4.04Å; N68-L74 WeakPolarHBondContact CB-O 3.49Å; N68-L74 PolarHBondContact N-O 3.04Å; N68-W109 HydrophobicContact CB-CD2 3.79Å; N68-W109 HydrophobicContact CB-CE3 4.08Å; N68-W109 HydrophobicContact CB-CG 4.06Å; N68-W109 HydrophobicContact CB-CZ2 4.43Å; N68-A114 PolarHBondContact ND2-O 2.96Å
69	P	93.1	Very high	90.6	Very high	26 Å²	26	27.3 Å²	27.3	17%	0.169	15%	0.146	C	C	.	.	S	Bend	trans	-68.1	-28.9	-179.4	25.8	-34.7	0	0	0	114.2	W29 W109 P111	W29-P69 HydrophobicContact CD2-CB 3.94Å; W29-P69 HydrophobicContact CE3-CB 4.45Å; W29-P69 HydrophobicContact CG-CB 4.38Å; W29-P69 HydrophobicContact CH2-CB 4.33Å; W29-P69 HydrophobicContact CZ2-CB 3.82Å; P69-W109 HydrophobicContact CG-CB 4.38Å; P69-P111 HydrophobicContact CG-CB 4.16Å
70	I	94.1	Very high	91.4	Very high	61 Å²	61	28.4 Å²	28.4	31%	0.313	16%	0.157	S	C	.	.	S	Bend	trans	-93.7	-58.8	-176.8	-61.9	165.5	0	0	0	110.4	N68 T72 P111 M112 A114	N68-I70 VanDerWaalsContact C-N 3.34Å; N68-I70 PolarHBondContact O-N 2.71Å; N68-I70 PolarHBondContact OD1-N 2.94Å; I70-T72 PolarHBondContact O-N 3.3Å; I70-P111 VanDerWaalsContact CD1-O 3.25Å; I70-P111 WeakPolarHBondContact CD1-O 3.42Å; I70-P111 WeakPolarHBondContact CG1-O 3.4Å; I70-M112 WeakPolarHBondContact CD1-O 3.29Å; I70-A114 HydrophobicContact CB-CB 3.85Å; I70-A114 HydrophobicContact CD1-CB 4.13Å; I70-A114 HydrophobicContact CG2-CB 3.71Å
71	E	93.1	Very high	92.3	Very high	79 Å²	79	25.5 Å²	25.5	37%	0.369	14%	0.142	S	C	.	.	S	Bend	trans	-91.9	80	177.5	-70.8	-68.3	164.2	0	0	108.9	N68 F73 L74 A114	N68-E71 WeakPolarHBondContact CB-O 3.22Å; N68-E71 PolarHBondContact OD1-N 2.95Å; E71-F73 PolarHBondContact O-N 2.96Å; E71-L74 HydrophobicContact CB-CB 4.49Å; E71-L74 HydrophobicContact CB-CD1 3.79Å; E71-L74 HydrophobicContact CB-CG 4.18Å; E71-L74 HydrophobicContact CG-CD1 4.46Å; E71-L74 WeakPolarHBondContact O-CB 3.3Å; E71-L74 PolarHBondContact O-N 2.92Å; E71-A114 HydrophobicContact CG-CB 3.76Å
72	T	91	Very high	92.5	Very high	8 Å²	8	29 Å²	29	5%	0.049	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.1	-164.4	65.3	0	0	0	0	114.5	H28 W29 K30 N68 I70 L74	H28-T72 PolarHBondContact CD2-O 2.95Å; H28-T72 PolarHBondContact CE1-OG1 2.83Å; H28-T72 WeakPolarHBondContact NE2-CB 3.36Å; H28-T72 PolarHBondContact NE2-O 2.85Å; H28-T72 PolarHBondContact NE2-OG1 2.97Å; H28-T72 VanDerWaalsContact NE2-OG1 3.14Å; W29-T72 HydrophobicContact CB-CG2 4.19Å; K30-T72 HydrophobicContact CD-CG2 3.97Å; K30-T72 HydrophobicContact CG-CG2 4.19Å; N68-T72 WeakPolarHBondContact O-CA 3.38Å; I70-T72 PolarHBondContact O-N 3.3Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 3.21Å
73	F	91.1	Very high	92.5	Very high	67 Å²	67	29.6 Å²	29.6	29%	0.294	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.9	174.4	-58.8	-68.1	0	0	0	113.9	E71 M89 R90	E71-F73 PolarHBondContact O-N 2.96Å; F73-M89 HydrophobicContact CD1-SD 4.04Å; F73-M89 HydrophobicContact CE1-SD 4.48Å; F73-M89 WeakPolarHBondContact O-CB 3.34Å; F73-M89 PolarHBondContact O-N 2.55Å; F73-R90 HydrophobicContact CB-CG 4.21Å; F73-R90 HydrophobicContact CD1-CG 3.99Å; F73-R90 HydrophobicContact CG-CG 4.05Å
74	L	93.3	Very high	92.7	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.073	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.8	178.6	-66.4	175.9	0	0	0	111	N68 E71 T72 D88 L95 M131	N68-L74 HydrophobicContact CB-CB 4.04Å; N68-L74 WeakPolarHBondContact CB-O 3.49Å; N68-L74 PolarHBondContact N-O 3.04Å; E71-L74 HydrophobicContact CB-CB 4.49Å; E71-L74 HydrophobicContact CB-CD1 3.79Å; E71-L74 HydrophobicContact CB-CG 4.18Å; E71-L74 HydrophobicContact CG-CD1 4.46Å; E71-L74 WeakPolarHBondContact O-CB 3.3Å; E71-L74 PolarHBondContact O-N 2.92Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 3.21Å; L74-D88 HydrophobicContact CD2-CB 4.43Å; L74-L95 HydrophobicContact CD2-CD1 3.46Å; L74-L95 VanDerWaalsContact CD2-CD1 3.46Å; L74-M131 HydrophobicContact CD1-CE 4.25Å; L74-M131 HydrophobicContact CD2-CE 4.23Å
75	L	93.5	Very high	92.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.1	172.2	61.2	120.6	0	0	0	110.4	V41 I43 M55 V65 K66 F67 L86 Y87 M89	V41-L75 HydrophobicContact CG1-CD1 3.84Å; I43-L75 HydrophobicContact CD1-CD2 4.15Å; M55-L75 HydrophobicContact CE-CD1 4.12Å; M55-L75 HydrophobicContact CE-CD2 4.28Å; V65-L75 HydrophobicContact CG2-CD1 4.07Å; K66-L75 WeakPolarHBondContact O-CA 3.36Å; F67-L75 HydrophobicContact CD1-CB 4.08Å; F67-L75 HydrophobicContact CE1-CB 4.22Å; F67-L75 HydrophobicContact CE1-CD2 4.14Å; L75-L86 WeakPolarHBondContact O-CA 3.47Å; L75-Y87 HydrophobicContact CD1-CD2 3.34Å; L75-Y87 HydrophobicContact CD1-CE2 4.17Å; L75-Y87 HydrophobicContact CD1-CG 3.79Å; L75-Y87 HydrophobicContact CG-CD2 4.05Å; L75-Y87 HydrophobicContact CG-CG 4.29Å; L75-Y87 PolarHBondContact N-O 3.45Å; L75-Y87 PolarHBondContact O-N 3.32Å; L75-M89 HydrophobicContact CD2-CB 4.46Å
76	G	93.8	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.3	172.4	0	0	0	0	0	110.2	V65 K66 V85 I107	V65-G76 WeakPolarHBondContact CA-O 3.31Å; K66-G76 PolarHBondContact N-O 2.84Å; K66-G76 PolarHBondContact O-N 3Å; G76-V85 CarbonylContact C-O 3.56Å; G76-V85 WeakPolarHBondContact CA-O 3.36Å; G76-I107 VanDerWaalsContact CA-CD1 3.44Å; G76-I107 WeakPolarHBondContact O-CD1 3.38Å
77	S	93.6	Very high	92.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.4	169.8	82.8	0	0	0	0	111.5	S64 I84 V85 Y87	S64-S77 VanDerWaalsContact O-CA 3.25Å; S64-S77 WeakPolarHBondContact O-CA 3.34Å; S77-I84 WeakPolarHBondContact O-CA 3.31Å; S77-V85 PolarHBondContact N-O 3.01Å; S77-V85 PolarHBondContact O-N 3.3Å; S77-Y87 VanDerWaalsContact OG-CE2 3.24Å; S77-Y87 WeakPolarHBondContact OG-CE2 3.24Å; S77-Y87 PolarHBondContact OG-OH 2.9Å; S77-Y87 VanDerWaalsContact OG-OH 3.13Å
78	C	93.3	Very high	92.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.1	173.2	-60	0	0	0	0	109.1	I62 S63 S64 T104 I107	I62-C78 CarbonylContact C-O 3.55Å; I62-C78 WeakPolarHBondContact CA-O 3.38Å; I62-C78 VanDerWaalsContact CG2-O 3.24Å; I62-C78 WeakPolarHBondContact CG2-O 3.33Å; S63-C78 PolarHBondContact N-O 2.75Å; S63-C78 WeakPolarHBondContact OG-CB 3.48Å; S63-C78 PolarHBondContact OG-O 2.86Å; S64-C78 PolarHBondContact O-N 3.18Å; C78-T104 HydrophobicContact CB-CG2 4.31Å; C78-T104 VanDerWaalsContact SG-CG2 3.55Å; C78-I107 WeakPolarHBondContact SG-CG2 3.46Å
79	A	91.5	Very high	91.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.7	174.7	0	0	0	0	0	111.1	F59 D81 R82 N83	F59-A79 HydrophobicContact CB-CB 4.46Å; F59-A79 HydrophobicContact CD1-CB 4.48Å; F59-A79 HydrophobicContact CD2-CB 4.22Å; F59-A79 HydrophobicContact CG-CB 4.12Å; A79-D81 PolarHBondContact O-N 2.84Å; A79-D81 VanDerWaalsContact O-N 3.15Å; A79-R82 PolarHBondContact O-N 3.38Å; A79-N83 HydrophobicContact CB-CB 4.18Å; A79-N83 PolarHBondContact N-O 3.44Å
80	S	88	Confident	91.7	Very high	49 Å²	49	33.5 Å²	33.5	34%	0.343	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27	173	55	0	0	0	0	112.9	S61 R82	S61-S80 PolarHBondContact O-N 2.92Å; S61-S80 PolarHBondContact O-OG 2.81Å; S80-R82 PolarHBondContact O-N 3.12Å
81	D	87.6	Confident	91.2	Very high	72 Å²	72	34.9 Å²	34.9	39%	0.385	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	21.1	-174	-56.4	-19.5	0	0	0	113.4	F59 A79 N83	F59-D81 HydrophobicContact CD1-CB 4.48Å; F59-D81 WeakPolarHBondContact CD1-OD2 3.22Å; A79-D81 PolarHBondContact O-N 2.84Å; A79-D81 VanDerWaalsContact O-N 3.15Å; D81-N83 PolarHBondContact O-N 3.48Å; D81-N83 PolarHBondContact O-OD1 3.29Å
82	R	91.6	Very high	90.4	Very high	118 Å²	118	34.8 Å²	34.8	45%	0.445	17%	0.173	S	C	.	.	S	Bend	trans	70.4	10.6	-178.1	-42.7	171.5	-73.8	175.7	1.3	115.1	A79 S80 L100 D101 R103	A79-R82 PolarHBondContact O-N 3.38Å; S80-R82 PolarHBondContact O-N 3.12Å; R82-L100 WeakPolarHBondContact CB-O 3.43Å; R82-L100 PolarHBondContact O-N 3.15Å; R82-D101 WeakPolarHBondContact CD-O 3.25Å; R82-D101 PolarHBondContact NH1-O 2.95Å; R82-D101 VanDerWaalsContact NH1-O 3.1Å; R82-R103 HydrophobicContact CG-CB 4.38Å
83	N	91.3	Very high	89.8	Confident	16 Å²	16	38.4 Å²	38.4	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.3	-180	-63.7	-9	0	0	0	110.4	F59 A79 D81 V85 V98 I99	F59-N83 HydrophobicContact CE1-CB 4.47Å; F59-N83 WeakPolarHBondContact CE1-ND2 3.38Å; F59-N83 HydrophobicContact CZ-CB 4.31Å; F59-N83 WeakPolarHBondContact CZ-ND2 3.45Å; A79-N83 HydrophobicContact CB-CB 4.18Å; A79-N83 PolarHBondContact N-O 3.44Å; D81-N83 PolarHBondContact O-N 3.48Å; D81-N83 PolarHBondContact O-OD1 3.29Å; N83-V85 HydrophobicContact CB-CG2 4.33Å; N83-V98 CarbonylContact C-O 3.59Å; N83-V98 WeakPolarHBondContact CA-O 3.44Å; N83-I99 WeakPolarHBondContact OD1-CG1 3.33Å
84	I	93.5	Very high	89.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	162	-58.1	171.2	0	0	0	106.5	S77 K97 V98 L100 T104 I107 F117 A119 F129	S77-I84 WeakPolarHBondContact O-CA 3.31Å; I84-K97 CarbonylContact O-C 3.55Å; I84-K97 VanDerWaalsContact O-CA 3.31Å; I84-K97 WeakPolarHBondContact O-CA 3.5Å; I84-V98 HydrophobicContact CB-CB 4.45Å; I84-V98 PolarHBondContact N-O 2.95Å; I84-V98 PolarHBondContact O-N 3.24Å; I84-L100 HydrophobicContact CD1-CD1 3.78Å; I84-L100 HydrophobicContact CD1-CG 4.31Å; I84-T104 HydrophobicContact CD1-CG2 4.1Å; I84-T104 HydrophobicContact CG1-CG2 4.22Å; I84-I107 HydrophobicContact CG2-CG2 4.36Å; I84-F117 HydrophobicContact CD1-CE2 4.46Å; I84-F117 HydrophobicContact CG2-CE2 4.13Å; I84-F117 HydrophobicContact CG2-CZ 4.38Å; I84-A119 HydrophobicContact CD1-CB 3.58Å; I84-F129 HydrophobicContact CD1-CE2 4.41Å
85	V	92.7	Very high	88.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.4	-176.6	-172.3	0	0	0	0	109.2	F59 G76 S77 N83 Y87 P94 K97	F59-V85 HydrophobicContact CE2-CG2 3.72Å; F59-V85 HydrophobicContact CZ-CG2 4.19Å; G76-V85 CarbonylContact C-O 3.56Å; G76-V85 WeakPolarHBondContact CA-O 3.36Å; S77-V85 PolarHBondContact N-O 3.01Å; S77-V85 PolarHBondContact O-N 3.3Å; N83-V85 HydrophobicContact CB-CG2 4.33Å; V85-Y87 HydrophobicContact CB-CE2 3.79Å; V85-Y87 HydrophobicContact CG1-CD1 4.34Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact O-CE2 3.4Å; V85-P94 HydrophobicContact CG1-CB 4.2Å; V85-K97 HydrophobicContact CG2-CB 4.49Å
86	L	93.4	Very high	88.7	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.8	174.6	-56.8	-175.3	0	0	0	109.4	L75 L95 K96 W109 F117 M131 L134	L75-L86 WeakPolarHBondContact O-CA 3.47Å; L86-L95 PolarHBondContact O-N 2.68Å; L86-K96 PolarHBondContact N-O 2.85Å; L86-K96 PolarHBondContact O-N 3.24Å; L86-W109 HydrophobicContact CD2-CH2 3.88Å; L86-W109 HydrophobicContact CD2-CZ2 3.94Å; L86-F117 HydrophobicContact CD1-CE1 4.27Å; L86-F117 HydrophobicContact CD2-CE1 4.31Å; L86-F117 HydrophobicContact CD2-CZ 4.43Å; L86-M131 HydrophobicContact CD1-CB 4.27Å; L86-M131 HydrophobicContact CD1-CG 3.59Å; L86-L134 HydrophobicContact CD1-CD1 3.73Å; L86-L134 HydrophobicContact CD1-CD2 4.39Å
87	Y	91.9	Very high	88.5	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.3	177.2	-41.4	-106.4	0	0	0	110.5	V41 M55 L75 S77 V85 P94	V41-Y87 HydrophobicContact CG2-CE2 4.01Å; M55-Y87 HydrophobicContact CB-CD1 4.05Å; M55-Y87 HydrophobicContact CB-CE1 4.05Å; M55-Y87 HydrophobicContact CE-CD1 3.9Å; M55-Y87 HydrophobicContact CE-CG 3.94Å; M55-Y87 HydrophobicContact CG-CD1 4.39Å; M55-Y87 HydrophobicContact SD-CD1 3.52Å; M55-Y87 VanDerWaalsContact SD-CD1 3.52Å; M55-Y87 HydrophobicContact SD-CE1 4.44Å; M55-Y87 HydrophobicContact SD-CG 3.94Å; L75-Y87 HydrophobicContact CD1-CD2 3.34Å; L75-Y87 HydrophobicContact CD1-CE2 4.17Å; L75-Y87 HydrophobicContact CD1-CG 3.79Å; L75-Y87 HydrophobicContact CG-CD2 4.05Å; L75-Y87 HydrophobicContact CG-CG 4.29Å; L75-Y87 PolarHBondContact N-O 3.45Å; L75-Y87 PolarHBondContact O-N 3.32Å; S77-Y87 VanDerWaalsContact OG-CE2 3.24Å; S77-Y87 WeakPolarHBondContact OG-CE2 3.24Å; S77-Y87 PolarHBondContact OG-OH 2.9Å; S77-Y87 VanDerWaalsContact OG-OH 3.13Å; V85-Y87 HydrophobicContact CB-CE2 3.79Å; V85-Y87 HydrophobicContact CG1-CD1 4.34Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact O-CE2 3.4Å; Y87-P94 HydrophobicContact CD1-CB 4.03Å; Y87-P94 HydrophobicContact CE1-CB 4.26Å
88	D	91.3	Very high	88.5	Confident	3 Å²	3	49 Å²	49	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.1	170.5	-170.4	-26.1	0	0	0	107.5	L74 R90 Q91 L95	L74-D88 HydrophobicContact CD2-CB 4.43Å; D88-R90 PolarHBondContact O-N 2.85Å; D88-R90 VanDerWaalsContact O-N 3.12Å; D88-R90 VanDerWaalsContact OD1-CB 3.26Å; D88-R90 WeakPolarHBondContact OD1-CB 3.45Å; D88-R90 WeakPolarHBondContact OD1-CG 3.42Å; D88-R90 IonicContact OD1-CZ 3.75Å; D88-R90 PolarHBondContact OD1-N 3.13Å; D88-R90 IonicContact OD1-NE 2.9Å; D88-R90 PolarHBondContact OD1-NE 2.85Å; D88-R90 IonicContact OD1-NH2 3.76Å; D88-R90 IonicContact OD2-CZ 3.34Å; D88-R90 IonicContact OD2-NE 3.16Å; D88-R90 PolarHBondContact OD2-NE 2.81Å; D88-R90 VanDerWaalsContact OD2-NE 3.16Å; D88-R90 IonicContact OD2-NH2 2.7Å; D88-R90 PolarHBondContact OD2-NH2 2.94Å; D88-Q91 HydrophobicContact CB-CB 4.32Å; D88-Q91 HydrophobicContact CB-CG 4.44Å; D88-Q91 CarbonylContact O-C 3.53Å; D88-Q91 PolarHBondContact O-N 3.13Å; D88-L95 HydrophobicContact CB-CD1 3.64Å; D88-L95 HydrophobicContact CB-CG 3.89Å
89	M	88.4	Confident	88.4	Confident	42 Å²	42	53.6 Å²	53.6	21%	0.207	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.7	178.7	-173.4	-115.6	-133	0	0	112.7	V33 I43 F73 L75 Q91	V33-M89 HydrophobicContact CB-CE 4.2Å; V33-M89 HydrophobicContact CG1-CE 3.67Å; V33-M89 HydrophobicContact CG2-CE 4.01Å; I43-M89 HydrophobicContact CD1-CB 4.08Å; I43-M89 HydrophobicContact CD1-CG 3.63Å; I43-M89 HydrophobicContact CG2-CE 4.47Å; I43-M89 HydrophobicContact CG2-CG 4.38Å; F73-M89 HydrophobicContact CD1-SD 4.04Å; F73-M89 HydrophobicContact CE1-SD 4.48Å; F73-M89 WeakPolarHBondContact O-CB 3.34Å; F73-M89 PolarHBondContact O-N 2.55Å; L75-M89 HydrophobicContact CD2-CB 4.46Å; M89-Q91 VanDerWaalsContact C-N 3.33Å
90	R	87.4	Confident	88.5	Confident	167 Å²	167	54.5 Å²	54.5	63%	0.63	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.8	177.9	-55.1	170.1	-62.6	-178.7	3.1	112.7	F73 D88	F73-R90 HydrophobicContact CB-CG 4.21Å; F73-R90 HydrophobicContact CD1-CG 3.99Å; F73-R90 HydrophobicContact CG-CG 4.05Å; D88-R90 PolarHBondContact O-N 2.85Å; D88-R90 VanDerWaalsContact O-N 3.12Å; D88-R90 VanDerWaalsContact OD1-CB 3.26Å; D88-R90 WeakPolarHBondContact OD1-CB 3.45Å; D88-R90 WeakPolarHBondContact OD1-CG 3.42Å; D88-R90 IonicContact OD1-CZ 3.75Å; D88-R90 PolarHBondContact OD1-N 3.13Å; D88-R90 IonicContact OD1-NE 2.9Å; D88-R90 PolarHBondContact OD1-NE 2.85Å; D88-R90 IonicContact OD1-NH2 3.76Å; D88-R90 IonicContact OD2-CZ 3.34Å; D88-R90 IonicContact OD2-NE 3.16Å; D88-R90 PolarHBondContact OD2-NE 2.81Å; D88-R90 VanDerWaalsContact OD2-NE 3.16Å; D88-R90 IonicContact OD2-NH2 2.7Å; D88-R90 PolarHBondContact OD2-NH2 2.94Å
91	Q	84.4	Confident	88.6	Confident	91 Å²	91	58.3 Å²	58.3	43%	0.425	29%	0.293	S	S	.	.	S	Bend	trans	-117	132.4	-179	-60.6	-172.7	-1	0	0	109.6	D88 M89 T93	D88-Q91 HydrophobicContact CB-CB 4.32Å; D88-Q91 HydrophobicContact CB-CG 4.44Å; D88-Q91 CarbonylContact O-C 3.53Å; D88-Q91 PolarHBondContact O-N 3.13Å; M89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-T93 PolarHBondContact O-N 3.19Å; Q91-T93 VanDerWaalsContact O-N 3.15Å
92	A	75.2	Confident	88.9	Confident	77 Å²	77	59.7 Å²	59.7	64%	0.636	30%	0.298	S	S	*	.	S	Bend	trans	-69.2	-10.4	174.4	0	0	0	0	0	112.7
93	T	78.3	Confident	89	Confident	84 Å²	84	59.4 Å²	59.4	52%	0.515	30%	0.297	S	S	.	.	S	Bend	trans	-102.8	143.6	178.6	53.3	0	0	0	0	111.5	Q91	Q91-T93 PolarHBondContact O-N 3.19Å; Q91-T93 VanDerWaalsContact O-N 3.15Å
94	P	80.8	Confident	89.2	Confident	40 Å²	40	58.7 Å²	58.7	26%	0.26	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	148.7	172.2	33.5	-44.8	0	0	0	112.5	W57 V85 Y87	W57-P94 HydrophobicContact CZ2-CB 3.79Å; W57-P94 HydrophobicContact CZ2-CG 3.45Å; W57-P94 VanDerWaalsContact CZ2-CG 3.45Å; V85-P94 HydrophobicContact CG1-CB 4.2Å; Y87-P94 HydrophobicContact CD1-CB 4.03Å; Y87-P94 HydrophobicContact CE1-CB 4.26Å
95	L	86.3	Confident	89.3	Confident	61 Å²	61	59.4 Å²	59.4	32%	0.319	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-60.7	-179.3	-88.1	169.6	0	0	0	112.1	L74 L86 D88 M131	L74-L95 HydrophobicContact CD2-CD1 3.46Å; L74-L95 VanDerWaalsContact CD2-CD1 3.46Å; L86-L95 PolarHBondContact O-N 2.68Å; D88-L95 HydrophobicContact CB-CD1 3.64Å; D88-L95 HydrophobicContact CB-CG 3.89Å; L95-M131 HydrophobicContact CD1-CE 3.83Å
96	K	88.4	Confident	89.4	Confident	83 Å²	83	59.9 Å²	59.9	36%	0.361	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.3	-172.4	-66.9	-171	-177.4	177.6	0	110.2	L86 M131 R132 L134	L86-K96 PolarHBondContact N-O 2.85Å; L86-K96 PolarHBondContact O-N 3.24Å; K96-M131 PolarHBondContact NZ-O 2.92Å; K96-M131 VanDerWaalsContact NZ-O 3.08Å; K96-R132 PolarHBondContact NZ-O 2.8Å; K96-L134 HydrophobicContact CB-CD1 3.59Å; K96-L134 HydrophobicContact CD-CD1 3.5Å; K96-L134 HydrophobicContact CD-CG 4.4Å; K96-L134 HydrophobicContact CG-CD1 4.2Å
97	K	90.1	Very high	89.5	Confident	104 Å²	104	59.8 Å²	59.8	45%	0.452	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.2	171.4	64.3	167.3	179.2	-178.8	0	110.9	W57 I84 V85	W57-K97 HydrophobicContact CH2-CB 4.42Å; W57-K97 HydrophobicContact CH2-CD 3.66Å; W57-K97 HydrophobicContact CH2-CG 4.12Å; W57-K97 HydrophobicContact CZ3-CD 3.77Å; I84-K97 CarbonylContact O-C 3.55Å; I84-K97 VanDerWaalsContact O-CA 3.31Å; I84-K97 WeakPolarHBondContact O-CA 3.5Å; V85-K97 HydrophobicContact CG2-CB 4.49Å
98	V	92.4	Very high	89.7	Confident	14 Å²	14	60.3 Å²	60.3	9%	0.085	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.2	170.7	-176.8	0	0	0	0	107.9	N83 I84 L100 F129 L134	N83-V98 CarbonylContact C-O 3.59Å; N83-V98 WeakPolarHBondContact CA-O 3.44Å; I84-V98 HydrophobicContact CB-CB 4.45Å; I84-V98 PolarHBondContact N-O 2.95Å; I84-V98 PolarHBondContact O-N 3.24Å; V98-L100 HydrophobicContact CG1-CD2 3.8Å; V98-F129 HydrophobicContact CG1-CE1 4.21Å; V98-F129 HydrophobicContact CG1-CZ 4.24Å; V98-L134 HydrophobicContact CG2-CB 3.61Å; V98-L134 HydrophobicContact CG2-CD1 3.91Å; V98-L134 HydrophobicContact CG2-CD2 3.85Å; V98-L134 HydrophobicContact CG2-CG 4Å
99	I	92.6	Very high	90	Very high	97 Å²	97	60.6 Å²	60.6	50%	0.497	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.1	177.1	-50.4	-176.2	0	0	0	106.8	N83	N83-I99 WeakPolarHBondContact OD1-CG1 3.33Å
100	L	92.4	Very high	90.4	Very high	20 Å²	20	58.6 Å²	58.6	11%	0.105	29%	0.294	C	S	.	.			trans	-99.7	168.8	174.6	-56.1	-172.6	0	0	0	110.9	R82 I84 V98 M102 T104 N121 Y127 F129	R82-L100 WeakPolarHBondContact CB-O 3.43Å; R82-L100 PolarHBondContact O-N 3.15Å; I84-L100 HydrophobicContact CD1-CD1 3.78Å; I84-L100 HydrophobicContact CD1-CG 4.31Å; V98-L100 HydrophobicContact CG1-CD2 3.8Å; L100-M102 VanDerWaalsContact C-N 3.35Å; L100-T104 WeakPolarHBondContact CD1-OG1 3.38Å; L100-N121 VanDerWaalsContact CD1-ND2 3.34Å; L100-N121 WeakPolarHBondContact CD1-ND2 3.41Å; L100-Y127 HydrophobicContact CD1-CD2 4.2Å; L100-F129 HydrophobicContact CD1-CE2 4.29Å; L100-F129 HydrophobicContact CD2-CE2 4.09Å; L100-F129 HydrophobicContact CD2-CZ 3.55Å
101	D	91.6	Very high	90.7	Very high	128 Å²	128	52.2 Å²	52.2	68%	0.684	27%	0.274	S	S	*	.	S	Bend	trans	-67	-37.9	-179.7	-72.4	-19.5	0	0	0	112.4	R82	R82-D101 WeakPolarHBondContact CD-O 3.25Å; R82-D101 PolarHBondContact NH1-O 2.95Å; R82-D101 VanDerWaalsContact NH1-O 3.1Å
102	M	93.9	Very high	91.1	Very high	102 Å²	102	53.8 Å²	53.8	50%	0.502	28%	0.283	S	S	.	.	S	Bend	trans	-126.5	166.5	179.8	-68	-64	170.6	0	0	111.4	L100 N121 D123	L100-M102 VanDerWaalsContact C-N 3.35Å; M102-N121 WeakPolarHBondContact CB-OD1 3.48Å; M102-N121 PolarHBondContact O-ND2 3.39Å; M102-N121 PolarHBondContact O-OD1 2.86Å; M102-D123 HydrophobicContact CB-CB 4.04Å; M102-D123 HydrophobicContact CG-CB 3.97Å
103	R	93.3	Very high	92	Very high	111 Å²	111	54.9 Å²	54.9	42%	0.419	28%	0.275	S	S	.	.			trans	-70.3	142.1	-173.8	74.6	178.2	-127.1	-152.1	-6.3	111.3	R82 N105 N121 E122	R82-R103 HydrophobicContact CG-CB 4.38Å; R103-N105 PolarHBondContact NE-OD1 2.88Å; R103-N105 VanDerWaalsContact NE-OD1 3.13Å; R103-N105 PolarHBondContact NH2-OD1 2.88Å; R103-N121 PolarHBondContact O-OD1 2.96Å; R103-E122 WeakPolarHBondContact CD-OE1 3.4Å; R103-E122 WeakPolarHBondContact CD-OE2 3.41Å; R103-E122 HydrophobicContact CG-CB 4.11Å; R103-E122 HydrophobicContact CG-CG 3.49Å; R103-E122 VanDerWaalsContact CG-CG 3.49Å; R103-E122 WeakPolarHBondContact CG-OE2 3.27Å; R103-E122 IonicContact CZ-OE1 2.96Å; R103-E122 IonicContact CZ-OE2 2.89Å; R103-E122 IonicContact NE-OE1 3.66Å; R103-E122 PolarHBondContact NE-OE1 3.41Å; R103-E122 IonicContact NE-OE2 3.22Å; R103-E122 IonicContact NH1-OE1 3.77Å; R103-E122 PolarHBondContact NH1-OE1 3.48Å; R103-E122 IonicContact NH2-OE1 2.96Å; R103-E122 PolarHBondContact NH2-OE1 3.43Å; R103-E122 PolarHBondContact O-N 3.35Å
104	T	95	Very high	92.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.2	173.3	-57.2	0	0	0	0	108.8	C78 I84 L100 T106 I107 A119 A120	C78-T104 HydrophobicContact CB-CG2 4.31Å; C78-T104 VanDerWaalsContact SG-CG2 3.55Å; I84-T104 HydrophobicContact CD1-CG2 4.1Å; I84-T104 HydrophobicContact CG1-CG2 4.22Å; L100-T104 WeakPolarHBondContact CD1-OG1 3.38Å; T104-T106 VanDerWaalsContact CG2-O 3.27Å; T104-T106 WeakPolarHBondContact CG2-O 3.13Å; T104-I107 HydrophobicContact CG2-CG2 4.29Å; T104-A119 HydrophobicContact CG2-CB 3.77Å; T104-A120 CarbonylContact C-O 3.57Å; T104-A120 WeakPolarHBondContact CA-O 3.37Å; T104-A120 WeakPolarHBondContact CG2-O 3.09Å
105	N	94.6	Very high	93.2	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-46.6	179.7	-72.2	-45.7	0	0	0	111.1	S63 R103 A120 E122 V148	S63-N105 PolarHBondContact OG-O 2.84Å; R103-N105 PolarHBondContact NE-OD1 2.88Å; R103-N105 VanDerWaalsContact NE-OD1 3.13Å; R103-N105 PolarHBondContact NH2-OD1 2.88Å; N105-A120 PolarHBondContact N-O 2.84Å; N105-E122 VanDerWaalsContact ND2-CG 3.35Å; N105-E122 WeakPolarHBondContact ND2-CG 3.48Å; N105-V148 PolarHBondContact ND2-O 2.84Å
106	T	95.4	Very high	93.7	Very high	10 Å²	10	50.3 Å²	50.3	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167	-179.1	-165.7	0	0	0	0	111.4	S64 T104 A120 D150 V151	S64-T106 PolarHBondContact OG-OG1 2.94Å; T104-T106 VanDerWaalsContact CG2-O 3.27Å; T104-T106 WeakPolarHBondContact CG2-O 3.13Å; T106-A120 HydrophobicContact CG2-CB 3.62Å; T106-A120 PolarHBondContact O-N 2.96Å; T106-D150 VanDerWaalsContact CG2-CA 3.47Å; T106-D150 HydrophobicContact CG2-CB 4.44Å; T106-D150 WeakPolarHBondContact CG2-OD1 3.49Å; T106-V151 HydrophobicContact CG2-CB 4.47Å; T106-V151 HydrophobicContact CG2-CG1 3.84Å
107	I	96.1	Very high	94	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.9	169.5	50.9	162.9	0	0	0	109.1	K66 G76 C78 I84 T104 F117 T118 A119	K66-I107 HydrophobicContact CB-CD1 4.17Å; K66-I107 HydrophobicContact CB-CG1 4.14Å; K66-I107 HydrophobicContact CG-CG1 4.27Å; K66-I107 WeakPolarHBondContact CG-O 3.44Å; G76-I107 VanDerWaalsContact CA-CD1 3.44Å; G76-I107 WeakPolarHBondContact O-CD1 3.38Å; C78-I107 WeakPolarHBondContact SG-CG2 3.46Å; I84-I107 HydrophobicContact CG2-CG2 4.36Å; T104-I107 HydrophobicContact CG2-CG2 4.29Å; I107-F117 HydrophobicContact CG2-CD2 4.2Å; I107-F117 HydrophobicContact CG2-CE2 4.43Å; I107-T118 CarbonylContact C-O 3.09Å; I107-T118 VanDerWaalsContact CA-O 3.32Å; I107-T118 WeakPolarHBondContact CA-O 3.33Å; I107-A119 HydrophobicContact CG2-CB 3.98Å
108	C	96.4	Very high	94.4	Very high	13 Å²	13	41.4 Å²	41.4	9%	0.088	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.8	164.8	-171.8	0	0	0	0	109.7	F117 T118 V151 D152 Y153	C108-F117 CarbonylContact O-C 3.57Å; C108-F117 WeakPolarHBondContact O-CA 3.4Å; C108-F117 WeakPolarHBondContact O-CB 3.41Å; C108-T118 PolarHBondContact N-O 2.79Å; C108-T118 PolarHBondContact O-N 3.32Å; C108-V151 HydrophobicContact CB-CG1 3.78Å; C108-V151 WeakPolarHBondContact CB-O 3.4Å; C108-D152 PolarHBondContact SG-OD1 2.74Å; C108-D152 VanDerWaalsContact SG-OD1 3.35Å; C108-Y153 HydrophobicContact CB-CD2 4Å; C108-Y153 WeakPolarHBondContact O-CE2 3.28Å
109	W	96.9	Very high	94.6	Very high	9 Å²	9	40.7 Å²	40.7	3%	0.034	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	146.2	178.4	-66.4	95.1	0	0	0	110.6	K66 F67 N68 P69 L86 P111 F117 Y153	K66-W109 PolarHBondContact O-NE1 3.24Å; F67-W109 VanDerWaalsContact C-CD1 3.49Å; N68-W109 HydrophobicContact CB-CD2 3.79Å; N68-W109 HydrophobicContact CB-CE3 4.08Å; N68-W109 HydrophobicContact CB-CG 4.06Å; N68-W109 HydrophobicContact CB-CZ2 4.43Å; P69-W109 HydrophobicContact CG-CB 4.38Å; L86-W109 HydrophobicContact CD2-CH2 3.88Å; L86-W109 HydrophobicContact CD2-CZ2 3.94Å; W109-P111 WeakPolarHBondContact O-CD 3.47Å; W109-F117 HydrophobicContact CD2-CB 3.98Å; W109-F117 HydrophobicContact CE3-CB 3.75Å; W109-F117 HydrophobicContact CE3-CD1 4.25Å; W109-F117 HydrophobicContact CE3-CG 4.39Å; W109-F117 HydrophobicContact CG-CB 4.42Å; W109-F117 HydrophobicContact CH2-CD1 4.08Å; W109-F117 HydrophobicContact CZ3-CB 4.18Å; W109-F117 AromaticContact CZ3-CD1 3.79Å; W109-F117 HydrophobicContact CZ3-CD1 3.79Å; W109-F117 HydrophobicContact CZ3-CG 4.35Å; W109-Y153 WeakPolarHBondContact O-CD2 3.28Å
110	N	96.1	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.			trans	-71.6	124	171.3	-173.2	-21.9	0	0	0	109.6	M112 E113 I116 Y153 G157	N110-M112 PolarHBondContact O-N 3.01Å; N110-M112 PolarHBondContact OD1-N 2.64Å; N110-E113 HydrophobicContact CB-CB 4.16Å; N110-E113 PolarHBondContact ND2-OE2 2.87Å; N110-E113 PolarHBondContact OD1-N 2.83Å; N110-I116 HydrophobicContact CB-CB 4.12Å; N110-I116 HydrophobicContact CB-CG2 4.32Å; N110-I116 WeakPolarHBondContact CB-O 3.43Å; N110-I116 PolarHBondContact N-O 3.37Å; N110-Y153 HydrophobicContact CB-CD1 4.1Å; N110-Y153 HydrophobicContact CB-CE1 3.72Å; N110-G157 PolarHBondContact ND2-O 2.88Å; N110-G157 WeakPolarHBondContact OD1-CA 3.43Å
111	P	94.5	Very high	94.9	Very high	33 Å²	33	35.1 Å²	35.1	21%	0.214	17%	0.173	C	C	.	.	S	Bend	trans	-71.8	-11.9	-179.8	29.3	-35.8	0	0	0	114.8	P69 I70 W109 Y153 S154	P69-P111 HydrophobicContact CG-CB 4.16Å; I70-P111 VanDerWaalsContact CD1-O 3.25Å; I70-P111 WeakPolarHBondContact CD1-O 3.42Å; I70-P111 WeakPolarHBondContact CG1-O 3.4Å; W109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-Y153 VanDerWaalsContact CD-CB 3.47Å; P111-S154 WeakPolarHBondContact CG-O 3.42Å
112	M	94	Very high	95.1	Very high	124 Å²	124	31.9 Å²	31.9	61%	0.611	15%	0.154	S	C	*	.	S	Bend	trans	-108.8	-23.9	177.9	-68	-67.4	160.5	0	0	113.4	I70 N110 P155 T156	I70-M112 WeakPolarHBondContact CD1-O 3.29Å; N110-M112 PolarHBondContact O-N 3.01Å; N110-M112 PolarHBondContact OD1-N 2.64Å; M112-P155 WeakPolarHBondContact CE-O 2.98Å; M112-T156 WeakPolarHBondContact CG-O 3.34Å
113	E	94.1	Very high	95.2	Very high	100 Å²	100	28.6 Å²	28.6	47%	0.467	14%	0.138	S	C	.	.			trans	-119.2	104	-179.3	-62.9	-176.1	158	0	0	111.1	N110 F115 I116	N110-E113 HydrophobicContact CB-CB 4.16Å; N110-E113 PolarHBondContact ND2-OE2 2.87Å; N110-E113 PolarHBondContact OD1-N 2.83Å; E113-F115 PolarHBondContact O-N 3.46Å; E113-I116 HydrophobicContact CB-CB 4.12Å; E113-I116 HydrophobicContact CB-CG1 3.99Å; E113-I116 PolarHBondContact O-N 2.99Å; E113-I116 VanDerWaalsContact O-N 3.15Å; E113-I116 VanDerWaalsContact OE2-CG1 3.3Å; E113-I116 WeakPolarHBondContact OE2-CG1 3.43Å
114	A	91.7	Very high	95.3	Very high	11 Å²	11	29 Å²	29	9%	0.091	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.5	-171.3	0	0	0	0	0	115.7	N68 I70 E71	N68-A114 PolarHBondContact ND2-O 2.96Å; I70-A114 HydrophobicContact CB-CB 3.85Å; I70-A114 HydrophobicContact CD1-CB 4.13Å; I70-A114 HydrophobicContact CG2-CB 3.71Å; E71-A114 HydrophobicContact CG-CB 3.76Å
115	F	92.6	Very high	95.3	Very high	57 Å²	57	30.7 Å²	30.7	25%	0.25	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-3.9	-173.1	-54.4	-75.5	0	0	0	112.8	E113 D130 M131 R132	E113-F115 PolarHBondContact O-N 3.46Å; F115-D130 WeakPolarHBondContact O-CA 3.45Å; F115-M131 HydrophobicContact CB-CB 4.32Å; F115-M131 HydrophobicContact CD1-SD 4.14Å; F115-M131 WeakPolarHBondContact O-CB 3.42Å; F115-M131 PolarHBondContact O-N 3.24Å; F115-R132 HydrophobicContact CD1-CG 4.39Å; F115-R132 HydrophobicContact CG-CG 4.42Å
116	I	95.3	Very high	95.4	Very high	21 Å²	21	29.9 Å²	29.9	11%	0.108	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.3	-176.7	-58.7	-55.6	0	0	0	110.4	N110 E113 T128 F129 D130	N110-I116 HydrophobicContact CB-CB 4.12Å; N110-I116 HydrophobicContact CB-CG2 4.32Å; N110-I116 WeakPolarHBondContact CB-O 3.43Å; N110-I116 PolarHBondContact N-O 3.37Å; E113-I116 HydrophobicContact CB-CB 4.12Å; E113-I116 HydrophobicContact CB-CG1 3.99Å; E113-I116 PolarHBondContact O-N 2.99Å; E113-I116 VanDerWaalsContact O-N 3.15Å; E113-I116 VanDerWaalsContact OE2-CG1 3.3Å; E113-I116 WeakPolarHBondContact OE2-CG1 3.43Å; I116-T128 HydrophobicContact CG2-CG2 3.43Å; I116-T128 VanDerWaalsContact CG2-CG2 3.43Å; I116-F129 WeakPolarHBondContact CA-O 3.36Å; I116-D130 HydrophobicContact CD1-CB 3.7Å
117	F	96.1	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.8	169.1	66.8	-87.7	0	0	0	110.5	I84 L86 I107 C108 W109 T128 F129 L134	I84-F117 HydrophobicContact CD1-CE2 4.46Å; I84-F117 HydrophobicContact CG2-CE2 4.13Å; I84-F117 HydrophobicContact CG2-CZ 4.38Å; L86-F117 HydrophobicContact CD1-CE1 4.27Å; L86-F117 HydrophobicContact CD2-CE1 4.31Å; L86-F117 HydrophobicContact CD2-CZ 4.43Å; I107-F117 HydrophobicContact CG2-CD2 4.2Å; I107-F117 HydrophobicContact CG2-CE2 4.43Å; C108-F117 CarbonylContact O-C 3.57Å; C108-F117 WeakPolarHBondContact O-CA 3.4Å; C108-F117 WeakPolarHBondContact O-CB 3.41Å; W109-F117 HydrophobicContact CD2-CB 3.98Å; W109-F117 HydrophobicContact CE3-CB 3.75Å; W109-F117 HydrophobicContact CE3-CD1 4.25Å; W109-F117 HydrophobicContact CE3-CG 4.39Å; W109-F117 HydrophobicContact CG-CB 4.42Å; W109-F117 HydrophobicContact CH2-CD1 4.08Å; W109-F117 HydrophobicContact CZ3-CB 4.18Å; W109-F117 AromaticContact CZ3-CD1 3.79Å; W109-F117 HydrophobicContact CZ3-CD1 3.79Å; W109-F117 HydrophobicContact CZ3-CG 4.35Å; F117-T128 CarbonylContact O-C 3.59Å; F117-T128 WeakPolarHBondContact O-CA 3.49Å; F117-F129 HydrophobicContact CD1-CB 4.25Å; F117-F129 HydrophobicContact CD2-CB 4.43Å; F117-F129 HydrophobicContact CE1-CB 3.67Å; F117-F129 HydrophobicContact CE2-CB 3.87Å; F117-F129 AromaticContact CE2-CD2 3.79Å; F117-F129 HydrophobicContact CE2-CD2 3.79Å; F117-F129 HydrophobicContact CE2-CG 4.19Å; F117-F129 HydrophobicContact CZ-CB 3.46Å; F117-F129 VanDerWaalsContact CZ-CB 3.46Å; F117-F129 HydrophobicContact CZ-CD2 4.03Å; F117-F129 AromaticContact CZ-CG 3.98Å; F117-F129 HydrophobicContact CZ-CG 3.98Å; F117-F129 PolarHBondContact N-O 2.79Å; F117-F129 VanDerWaalsContact N-O 3.13Å; F117-F129 PolarHBondContact O-N 2.97Å; F117-L134 HydrophobicContact CE1-CD2 3.86Å; F117-L134 HydrophobicContact CZ-CD2 3.94Å
118	T	97	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133	173.9	-62.2	0	0	0	0	109.9	I107 C108 L126 Y127 T128 V151 Y153 F160	I107-T118 CarbonylContact C-O 3.09Å; I107-T118 VanDerWaalsContact CA-O 3.32Å; I107-T118 WeakPolarHBondContact CA-O 3.33Å; C108-T118 PolarHBondContact N-O 2.79Å; C108-T118 PolarHBondContact O-N 3.32Å; T118-L126 HydrophobicContact CG2-CB 3.76Å; T118-L126 HydrophobicContact CG2-CD2 3.92Å; T118-Y127 CarbonylContact C-O 3.55Å; T118-Y127 WeakPolarHBondContact CA-O 3.38Å; T118-T128 PolarHBondContact OG1-OG1 3.33Å; T118-V151 HydrophobicContact CG2-CG2 4.14Å; T118-Y153 WeakPolarHBondContact OG1-CE2 3.46Å; T118-Y153 PolarHBondContact OG1-OH 2.98Å; T118-F160 HydrophobicContact CG2-CE2 4.25Å; T118-F160 HydrophobicContact CG2-CZ 4.34Å
119	A	96.4	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.1	176.4	0	0	0	0	0	110.2	I84 T104 I107 L126 Y127 F129	I84-A119 HydrophobicContact CD1-CB 3.58Å; T104-A119 HydrophobicContact CG2-CB 3.77Å; I107-A119 HydrophobicContact CG2-CB 3.98Å; A119-L126 VanDerWaalsContact O-CA 3.3Å; A119-L126 WeakPolarHBondContact O-CA 3.24Å; A119-Y127 PolarHBondContact N-O 3.2Å; A119-Y127 PolarHBondContact O-N 3.09Å; A119-F129 HydrophobicContact CB-CE2 4.47Å
120	A	96.6	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118	173.7	0	0	0	0	0	110	T104 N105 T106 L126 V148 V151	T104-A120 CarbonylContact C-O 3.57Å; T104-A120 WeakPolarHBondContact CA-O 3.37Å; T104-A120 WeakPolarHBondContact CG2-O 3.09Å; N105-A120 PolarHBondContact N-O 2.84Å; T106-A120 HydrophobicContact CG2-CB 3.62Å; T106-A120 PolarHBondContact O-N 2.96Å; A120-L126 HydrophobicContact CB-CD2 4.33Å; A120-V148 HydrophobicContact CB-CB 4Å; A120-V148 HydrophobicContact CB-CG1 3.67Å; A120-V151 HydrophobicContact CB-CB 4.22Å; A120-V151 HydrophobicContact CB-CG1 4.15Å
121	N	96.1	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	154.4	-171.6	-163.7	-34.6	0	0	0	111.9	L100 M102 R103 D123 N125 Y127 V148	L100-N121 VanDerWaalsContact CD1-ND2 3.34Å; L100-N121 WeakPolarHBondContact CD1-ND2 3.41Å; M102-N121 WeakPolarHBondContact CB-OD1 3.48Å; M102-N121 PolarHBondContact O-ND2 3.39Å; M102-N121 PolarHBondContact O-OD1 2.86Å; R103-N121 PolarHBondContact O-OD1 2.96Å; N121-D123 VanDerWaalsContact C-N 3.25Å; N121-D123 VanDerWaalsContact CB-OD1 3.25Å; N121-D123 WeakPolarHBondContact CB-OD1 3.46Å; N121-D123 PolarHBondContact O-N 2.87Å; N121-D123 PolarHBondContact OD1-N 2.88Å; N121-N125 WeakPolarHBondContact CB-O 3.33Å; N121-N125 PolarHBondContact N-O 2.83Å; N121-Y127 HydrophobicContact CB-CD2 3.94Å; N121-Y127 HydrophobicContact CB-CE2 3.86Å; N121-V148 PolarHBondContact O-N 3.35Å
122	E	95.4	Very high	94.9	Very high	60 Å²	60	39.1 Å²	39.1	28%	0.28	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.2	174.5	-75.5	-159.1	155.4	0	0	114.3	R103 N105 Y124 A147	R103-E122 WeakPolarHBondContact CD-OE1 3.4Å; R103-E122 WeakPolarHBondContact CD-OE2 3.41Å; R103-E122 HydrophobicContact CG-CB 4.11Å; R103-E122 HydrophobicContact CG-CG 3.49Å; R103-E122 VanDerWaalsContact CG-CG 3.49Å; R103-E122 WeakPolarHBondContact CG-OE2 3.27Å; R103-E122 IonicContact CZ-OE1 2.96Å; R103-E122 IonicContact CZ-OE2 2.89Å; R103-E122 IonicContact NE-OE1 3.66Å; R103-E122 PolarHBondContact NE-OE1 3.41Å; R103-E122 IonicContact NE-OE2 3.22Å; R103-E122 IonicContact NH1-OE1 3.77Å; R103-E122 PolarHBondContact NH1-OE1 3.48Å; R103-E122 IonicContact NH2-OE1 2.96Å; R103-E122 PolarHBondContact NH2-OE1 3.43Å; R103-E122 PolarHBondContact O-N 3.35Å; N105-E122 VanDerWaalsContact ND2-CG 3.35Å; N105-E122 WeakPolarHBondContact ND2-CG 3.48Å; E122-Y124 WeakPolarHBondContact O-CD1 3.45Å; E122-Y124 WeakPolarHBondContact O-CE1 3.32Å; E122-Y124 PolarHBondContact O-N 3.36Å; E122-Y124 VanDerWaalsContact O-N 3.08Å; E122-A147 HydrophobicContact CB-CB 4.3Å; E122-A147 HydrophobicContact CG-CB 4.15Å
123	D	95.1	Very high	94.7	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.171	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	13.9	175.1	71.7	-5.3	0	0	0	114.7	M102 N121 N125 Y127	M102-D123 HydrophobicContact CB-CB 4.04Å; M102-D123 HydrophobicContact CG-CB 3.97Å; N121-D123 VanDerWaalsContact C-N 3.25Å; N121-D123 VanDerWaalsContact CB-OD1 3.25Å; N121-D123 WeakPolarHBondContact CB-OD1 3.46Å; N121-D123 PolarHBondContact O-N 2.87Å; N121-D123 PolarHBondContact OD1-N 2.88Å; D123-N125 PolarHBondContact O-N 2.94Å; D123-N125 PolarHBondContact OD1-N 2.8Å; D123-Y127 WeakPolarHBondContact OD2-CE2 3.31Å; D123-Y127 VanDerWaalsContact OD2-CZ 3.24Å; D123-Y127 PolarHBondContact OD2-OH 2.97Å
124	Y	95.6	Very high	94.5	Very high	121 Å²	121	31.4 Å²	31.4	48%	0.475	15%	0.149	S	C	.	.	S	Bend	trans	74.7	0.3	179.5	-33.6	-34.4	0	0	0	114.1	E122 H144	E122-Y124 WeakPolarHBondContact O-CD1 3.45Å; E122-Y124 WeakPolarHBondContact O-CE1 3.32Å; E122-Y124 PolarHBondContact O-N 3.36Å; E122-Y124 VanDerWaalsContact O-N 3.08Å; Y124-H144 WeakPolarHBondContact O-CB 3.31Å
125	N	96.2	Very high	94.3	Very high	35 Å²	35	38.8 Å²	38.8	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	162	179.9	-60.4	-42	0	0	0	111.2	N121 D123 Y127 V140 H141	N121-N125 WeakPolarHBondContact CB-O 3.33Å; N121-N125 PolarHBondContact N-O 2.83Å; D123-N125 PolarHBondContact O-N 2.94Å; D123-N125 PolarHBondContact OD1-N 2.8Å; N125-Y127 HydrophobicContact CB-CE2 3.95Å; N125-V140 HydrophobicContact CB-CG1 3.99Å; N125-H141 WeakPolarHBondContact CA-O 3.5Å
126	L	97	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.7	162.3	-55.6	96.3	0	0	0	110	T118 A119 A120 V140 H141 V148 V151 F160 F172	T118-L126 HydrophobicContact CG2-CB 3.76Å; T118-L126 HydrophobicContact CG2-CD2 3.92Å; A119-L126 VanDerWaalsContact O-CA 3.3Å; A119-L126 WeakPolarHBondContact O-CA 3.24Å; A120-L126 HydrophobicContact CB-CD2 4.33Å; L126-V140 WeakPolarHBondContact O-CA 3.27Å; L126-H141 HydrophobicContact CB-CB 4.11Å; L126-H141 HydrophobicContact CD1-CB 4.42Å; L126-H141 PolarHBondContact N-O 2.84Å; L126-H141 PolarHBondContact O-N 3.07Å; L126-V148 HydrophobicContact CD1-CG1 4.17Å; L126-V148 HydrophobicContact CD1-CG2 4.06Å; L126-V148 HydrophobicContact CD2-CG1 3.96Å; L126-V148 HydrophobicContact CG-CB 4.48Å; L126-V148 HydrophobicContact CG-CG1 3.99Å; L126-V148 HydrophobicContact CG-CG2 4.24Å; L126-V151 HydrophobicContact CD2-CB 3.84Å; L126-V151 HydrophobicContact CD2-CG2 3.52Å; L126-F160 HydrophobicContact CD2-CD2 4.49Å; L126-F160 HydrophobicContact CD2-CE2 3.95Å; L126-F172 HydrophobicContact CD1-CE2 4.04Å; L126-F172 HydrophobicContact CD1-CZ 4.35Å
127	Y	96.8	Very high	94.1	Very high	33 Å²	33	41.9 Å²	41.9	13%	0.129	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.2	-177.9	-65.4	-85.1	0	0	0	109.7	L100 T118 A119 N121 D123 N125 F129 P137 V140	L100-Y127 HydrophobicContact CD1-CD2 4.2Å; T118-Y127 CarbonylContact C-O 3.55Å; T118-Y127 WeakPolarHBondContact CA-O 3.38Å; A119-Y127 PolarHBondContact N-O 3.2Å; A119-Y127 PolarHBondContact O-N 3.09Å; N121-Y127 HydrophobicContact CB-CD2 3.94Å; N121-Y127 HydrophobicContact CB-CE2 3.86Å; D123-Y127 WeakPolarHBondContact OD2-CE2 3.31Å; D123-Y127 VanDerWaalsContact OD2-CZ 3.24Å; D123-Y127 PolarHBondContact OD2-OH 2.97Å; N125-Y127 HydrophobicContact CB-CE2 3.95Å; Y127-F129 HydrophobicContact CG-CE2 4.32Å; Y127-F129 HydrophobicContact CG-CZ 4.49Å; Y127-P137 HydrophobicContact CD1-CB 4.01Å; Y127-P137 HydrophobicContact CD1-CG 4.07Å; Y127-V140 HydrophobicContact CD1-CB 4.37Å; Y127-V140 HydrophobicContact CD1-CG1 4.04Å; Y127-V140 HydrophobicContact CD1-CG2 3.73Å; Y127-V140 HydrophobicContact CE1-CB 4.28Å; Y127-V140 HydrophobicContact CE1-CG1 3.64Å; Y127-V140 HydrophobicContact CE1-CG2 3.69Å
128	T	96.4	Very high	94	Very high	3 Å²	3	46 Å²	46	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	171.7	-59.4	0	0	0	0	109.1	I116 F117 T118 P137 V138 M139 H141	I116-T128 HydrophobicContact CG2-CG2 3.43Å; I116-T128 VanDerWaalsContact CG2-CG2 3.43Å; F117-T128 CarbonylContact O-C 3.59Å; F117-T128 WeakPolarHBondContact O-CA 3.49Å; T118-T128 PolarHBondContact OG1-OG1 3.33Å; T128-P137 CarbonylContact O-C 3.52Å; T128-P137 WeakPolarHBondContact O-CA 3.3Å; T128-V138 PolarHBondContact O-N 2.88Å; T128-M139 PolarHBondContact N-O 3.39Å; T128-M139 PolarHBondContact O-N 3.48Å; T128-H141 PolarHBondContact OG1-CD2 2.88Å; T128-H141 PolarHBondContact OG1-NE2 2.9Å
129	F	96.1	Very high	94	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150	-178.3	-73.9	-76.7	0	0	0	111.4	I84 V98 L100 I116 F117 A119 Y127 L134 P137	I84-F129 HydrophobicContact CD1-CE2 4.41Å; V98-F129 HydrophobicContact CG1-CE1 4.21Å; V98-F129 HydrophobicContact CG1-CZ 4.24Å; L100-F129 HydrophobicContact CD1-CE2 4.29Å; L100-F129 HydrophobicContact CD2-CE2 4.09Å; L100-F129 HydrophobicContact CD2-CZ 3.55Å; I116-F129 WeakPolarHBondContact CA-O 3.36Å; F117-F129 HydrophobicContact CD1-CB 4.25Å; F117-F129 HydrophobicContact CD2-CB 4.43Å; F117-F129 HydrophobicContact CE1-CB 3.67Å; F117-F129 HydrophobicContact CE2-CB 3.87Å; F117-F129 AromaticContact CE2-CD2 3.79Å; F117-F129 HydrophobicContact CE2-CD2 3.79Å; F117-F129 HydrophobicContact CE2-CG 4.19Å; F117-F129 HydrophobicContact CZ-CB 3.46Å; F117-F129 VanDerWaalsContact CZ-CB 3.46Å; F117-F129 HydrophobicContact CZ-CD2 4.03Å; F117-F129 AromaticContact CZ-CG 3.98Å; F117-F129 HydrophobicContact CZ-CG 3.98Å; F117-F129 PolarHBondContact N-O 2.79Å; F117-F129 VanDerWaalsContact N-O 3.13Å; F117-F129 PolarHBondContact O-N 2.97Å; A119-F129 HydrophobicContact CB-CE2 4.47Å; Y127-F129 HydrophobicContact CG-CE2 4.32Å; Y127-F129 HydrophobicContact CG-CZ 4.49Å; F129-L134 HydrophobicContact CB-CD2 4.12Å; F129-P137 HydrophobicContact CD1-CB 4.2Å; F129-P137 HydrophobicContact CE1-CB 3.71Å; F129-P137 HydrophobicContact CE1-CG 4.4Å; F129-P137 HydrophobicContact CZ-CB 3.93Å
130	D	94.4	Very high	94	Very high	37 Å²	37	49.9 Å²	49.9	20%	0.198	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.5	163.3	-176.5	-14.4	0	0	0	109	F115 I116 R132 A133 L134 V138	F115-D130 WeakPolarHBondContact O-CA 3.45Å; I116-D130 HydrophobicContact CD1-CB 3.7Å; D130-R132 PolarHBondContact O-N 2.54Å; D130-R132 VanDerWaalsContact O-N 3.09Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 WeakPolarHBondContact OD1-CG 3.35Å; D130-R132 PolarHBondContact OD1-N 2.84Å; D130-A133 CarbonylContact O-C 3.56Å; D130-A133 PolarHBondContact O-N 2.89Å; D130-A133 VanDerWaalsContact O-O 3.11Å; D130-L134 WeakPolarHBondContact O-CD2 3.39Å; D130-L134 PolarHBondContact O-N 2.79Å; D130-V138 HydrophobicContact CB-CG2 3.72Å
131	M	91.2	Very high	94	Very high	25 Å²	25	49.9 Å²	49.9	12%	0.123	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.7	177.4	-176.9	-100.1	-178.6	0	0	113.5	L74 L86 L95 K96 F115	L74-M131 HydrophobicContact CD1-CE 4.25Å; L74-M131 HydrophobicContact CD2-CE 4.23Å; L86-M131 HydrophobicContact CD1-CB 4.27Å; L86-M131 HydrophobicContact CD1-CG 3.59Å; L95-M131 HydrophobicContact CD1-CE 3.83Å; K96-M131 PolarHBondContact NZ-O 2.92Å; K96-M131 VanDerWaalsContact NZ-O 3.08Å; F115-M131 HydrophobicContact CB-CB 4.32Å; F115-M131 HydrophobicContact CD1-SD 4.14Å; F115-M131 WeakPolarHBondContact O-CB 3.42Å; F115-M131 PolarHBondContact O-N 3.24Å
132	R	89.8	Confident	93.9	Very high	160 Å²	160	53.4 Å²	53.4	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-40.7	176.9	-61.5	167.1	176.5	-176	-3.7	111.5	K96 F115 D130	K96-R132 PolarHBondContact NZ-O 2.8Å; F115-R132 HydrophobicContact CD1-CG 4.39Å; F115-R132 HydrophobicContact CG-CG 4.42Å; D130-R132 PolarHBondContact O-N 2.54Å; D130-R132 VanDerWaalsContact O-N 3.09Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 WeakPolarHBondContact OD1-CG 3.35Å; D130-R132 PolarHBondContact OD1-N 2.84Å
133	A	89.9	Confident	93.9	Very high	53 Å²	53	52.5 Å²	52.5	44%	0.438	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-126.9	82.4	-177.3	0	0	0	0	0	110.5	D130	D130-A133 CarbonylContact O-C 3.56Å; D130-A133 PolarHBondContact O-N 2.89Å; D130-A133 VanDerWaalsContact O-O 3.11Å
134	L	89.4	Confident	93.9	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	27%	0.267	C	S	.	.			trans	-87.5	-8	-173.4	-76.1	178.2	0	0	0	114.6	L86 K96 V98 F117 F129 D130 T136	L86-L134 HydrophobicContact CD1-CD1 3.73Å; L86-L134 HydrophobicContact CD1-CD2 4.39Å; K96-L134 HydrophobicContact CB-CD1 3.59Å; K96-L134 HydrophobicContact CD-CD1 3.5Å; K96-L134 HydrophobicContact CD-CG 4.4Å; K96-L134 HydrophobicContact CG-CD1 4.2Å; V98-L134 HydrophobicContact CG2-CB 3.61Å; V98-L134 HydrophobicContact CG2-CD1 3.91Å; V98-L134 HydrophobicContact CG2-CD2 3.85Å; V98-L134 HydrophobicContact CG2-CG 4Å; F117-L134 HydrophobicContact CE1-CD2 3.86Å; F117-L134 HydrophobicContact CZ-CD2 3.94Å; F129-L134 HydrophobicContact CB-CD2 4.12Å; D130-L134 WeakPolarHBondContact O-CD2 3.39Å; D130-L134 PolarHBondContact O-N 2.79Å; L134-T136 PolarHBondContact O-N 2.86Å
135	D	87.1	Confident	93.9	Very high	165 Å²	165	50.9 Å²	50.9	88%	0.882	28%	0.276	S	S	*	.	S	Bend	trans	-68.4	-27.1	-176.2	-61.6	-34.5	0	0	0	112.2
136	T	90.3	Very high	93.9	Very high	95 Å²	95	50.7 Å²	50.7	58%	0.583	28%	0.277	S	S	*	.	S	Bend	trans	-136.7	138.7	179.6	55.3	0	0	0	0	110.8	L134	L134-T136 PolarHBondContact O-N 2.86Å
137	P	93.6	Very high	93.9	Very high	48 Å²	48	51.3 Å²	51.3	31%	0.312	28%	0.283	S	S	.	.			trans	-63.4	138.5	172.3	27.6	-33	0	0	0	110.1	Y127 T128 F129 M139 V140	Y127-P137 HydrophobicContact CD1-CB 4.01Å; Y127-P137 HydrophobicContact CD1-CG 4.07Å; T128-P137 CarbonylContact O-C 3.52Å; T128-P137 WeakPolarHBondContact O-CA 3.3Å; F129-P137 HydrophobicContact CD1-CB 4.2Å; F129-P137 HydrophobicContact CE1-CB 3.71Å; F129-P137 HydrophobicContact CE1-CG 4.4Å; F129-P137 HydrophobicContact CZ-CB 3.93Å; P137-M139 VanDerWaalsContact C-N 3.29Å; P137-V140 HydrophobicContact CB-CG2 4.33Å; P137-V140 HydrophobicContact CG-CG2 3.95Å
138	V	94.5	Very high	93.9	Very high	88 Å²	88	49.8 Å²	49.8	53%	0.533	28%	0.276	S	S	.	.	S	Bend	trans	-64.5	-41.5	172.9	177.1	0	0	0	0	109.6	T128 D130	T128-V138 PolarHBondContact O-N 2.88Å; D130-V138 HydrophobicContact CB-CG2 3.72Å
139	M	95.5	Very high	93.9	Very high	47 Å²	47	51.4 Å²	51.4	23%	0.232	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.9	179.1	-166.6	163.2	-59.3	0	0	111.1	T128 P137 H141 V174 D175 K176 S177	T128-M139 PolarHBondContact N-O 3.39Å; T128-M139 PolarHBondContact O-N 3.48Å; P137-M139 VanDerWaalsContact C-N 3.29Å; M139-H141 VanDerWaalsContact SD-CE1 3.53Å; M139-V174 VanDerWaalsContact SD-O 3.34Å; M139-D175 WeakPolarHBondContact CE-O 3.33Å; M139-D175 VanDerWaalsContact SD-C 3.57Å; M139-K176 PolarHBondContact SD-N 3.31Å; M139-K176 VanDerWaalsContact SD-N 3.43Å; M139-S177 PolarHBondContact SD-N 3.31Å
140	V	96.5	Very high	93.9	Very high	33 Å²	33	51.9 Å²	51.9	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.8	170.8	-172.4	0	0	0	0	108.2	N125 L126 Y127 P137 M142 S177	N125-V140 HydrophobicContact CB-CG1 3.99Å; L126-V140 WeakPolarHBondContact O-CA 3.27Å; Y127-V140 HydrophobicContact CD1-CB 4.37Å; Y127-V140 HydrophobicContact CD1-CG1 4.04Å; Y127-V140 HydrophobicContact CD1-CG2 3.73Å; Y127-V140 HydrophobicContact CE1-CB 4.28Å; Y127-V140 HydrophobicContact CE1-CG1 3.64Å; Y127-V140 HydrophobicContact CE1-CG2 3.69Å; P137-V140 HydrophobicContact CB-CG2 4.33Å; P137-V140 HydrophobicContact CG-CG2 3.95Å; V140-M142 HydrophobicContact CB-CE 3.93Å; V140-M142 HydrophobicContact CG1-CE 3.64Å; V140-M142 HydrophobicContact CG1-CG 4.02Å; V140-S177 VanDerWaalsContact O-CB 3.28Å; V140-S177 WeakPolarHBondContact O-CB 3.1Å; V140-S177 PolarHBondContact O-OG 3.03Å
141	H	96.8	Very high	94.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.4	178.9	-57.3	-80.2	0	0	0	109.2	N125 L126 T128 M139 F160 F172 K176 S177	N125-H141 WeakPolarHBondContact CA-O 3.5Å; L126-H141 HydrophobicContact CB-CB 4.11Å; L126-H141 HydrophobicContact CD1-CB 4.42Å; L126-H141 PolarHBondContact N-O 2.84Å; L126-H141 PolarHBondContact O-N 3.07Å; T128-H141 PolarHBondContact OG1-CD2 2.88Å; T128-H141 PolarHBondContact OG1-NE2 2.9Å; M139-H141 VanDerWaalsContact SD-CE1 3.53Å; H141-F160 HydrophobicContact CB-CZ 4.26Å; H141-F160 AromaticContact CD2-CZ 3.45Å; H141-F160 VanDerWaalsContact CD2-CZ 3.45Å; H141-F160 WeakPolarHBondContact CD2-CZ 3.34Å; H141-F160 AromaticContact CE1-CE1 3.69Å; H141-F160 AromaticContact CE1-CZ 3.73Å; H141-F160 AromaticContact CG-CZ 3.58Å; H141-F160 AromaticContact ND1-CZ 3.77Å; H141-F160 AromaticContact NE2-CE1 3.58Å; H141-F160 AromaticContact NE2-CZ 3.54Å; H141-F172 HydrophobicContact CB-CD1 3.87Å; H141-F172 HydrophobicContact CB-CE1 3.93Å; H141-F172 HydrophobicContact CB-CG 4.46Å; H141-K176 PolarHBondContact CE1-O 3.23Å; H141-K176 PolarHBondContact ND1-O 3.13Å; H141-S177 CarbonylContact C-O 3.53Å; H141-S177 VanDerWaalsContact CA-O 3.28Å; H141-S177 WeakPolarHBondContact CA-O 3.27Å
142	M	94.5	Very high	94.3	Very high	75 Å²	75	50.3 Å²	50.3	37%	0.369	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.7	-172.9	-56.6	178.5	-175.7	0	0	107.8	V140 S177 R178	V140-M142 HydrophobicContact CB-CE 3.93Å; V140-M142 HydrophobicContact CG1-CE 3.64Å; V140-M142 HydrophobicContact CG1-CG 4.02Å; M142-S177 PolarHBondContact N-O 3.36Å; M142-R178 WeakPolarHBondContact O-CD 3.37Å; M142-R178 PolarHBondContact O-NH1 3.3Å
143	D	95	Very high	94.7	Very high	40 Å²	40	43.1 Å²	43.1	21%	0.214	25%	0.252	C	S	.	.			trans	177.5	-23.4	163.8	-90.9	-20.4	0	0	0	111	R170 F172 R178 S179	D143-R170 VanDerWaalsContact C-CZ 3.49Å; D143-R170 PolarHBondContact O-NH1 2.77Å; D143-R170 PolarHBondContact O-NH2 3.29Å; D143-F172 HydrophobicContact CB-CE1 4.31Å; D143-F172 HydrophobicContact CB-CZ 4.11Å; D143-R178 VanDerWaalsContact OD1-CD 3.23Å; D143-R178 WeakPolarHBondContact OD1-CD 3.36Å; D143-R178 IonicContact OD1-CZ 3.8Å; D143-R178 IonicContact OD1-NE 3.48Å; D143-R178 IonicContact OD1-NH1 2.8Å; D143-R178 PolarHBondContact OD1-NH1 2.56Å; D143-S179 VanDerWaalsContact OD2-CB 3.32Å; D143-S179 WeakPolarHBondContact OD2-CB 3.43Å; D143-S179 PolarHBondContact OD2-N 2.96Å; D143-S179 PolarHBondContact OD2-OG 2.91Å
144	H	95.9	Very high	95	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	23%	0.233	C	C	.	.			trans	-60.8	146.6	173.2	-77.5	-67.6	0	0	0	112.9	Y124 V148 S162 S164 D166 R170 F172	Y124-H144 WeakPolarHBondContact O-CB 3.31Å; H144-V148 HydrophobicContact CB-CG2 4.04Å; H144-S162 PolarHBondContact NE2-OG 2.85Å; H144-S164 WeakPolarHBondContact CE1-CB 3.4Å; H144-S164 WeakPolarHBondContact ND1-CB 3.43Å; H144-D166 IonicContact CG-OD2 2.71Å; H144-D166 IonicContact ND1-OD1 3.66Å; H144-D166 IonicContact ND1-OD2 2.77Å; H144-D166 PolarHBondContact ND1-OD2 2.88Å; H144-R170 PolarHBondContact ND1-NH1 2.61Å; H144-F172 AromaticContact NE2-CE2 3.99Å
145	V	95.5	Very high	95.2	Very high	107 Å²	107	42.1 Å²	42.1	65%	0.648	24%	0.242	S	C	*	.	S	Bend	trans	-110.9	-3.2	-175.8	-167.1	0	0	0	0	110.6	D166	V145-D166 HydrophobicContact CB-CB 4.44Å; V145-D166 PolarHBondContact N-OD2 2.86Å
146	S	96.3	Very high	95.5	Very high	31 Å²	31	37 Å²	37	22%	0.217	22%	0.217	C	C	.	.	S	Bend	trans	-151.1	175.5	175.8	-158	0	0	0	0	110.3	V148 S164	S146-V148 PolarHBondContact O-N 2.66Å; S146-S164 PolarHBondContact O-OG 3.06Å
147	A	95.9	Very high	95.7	Very high	14 Å²	14	32.9 Å²	32.9	12%	0.116	19%	0.193	C	C	.	.			trans	-52.8	132.1	-173.1	0	0	0	0	0	111.7	E122 L149 S164 F165	E122-A147 HydrophobicContact CB-CB 4.3Å; E122-A147 HydrophobicContact CG-CB 4.15Å; A147-L149 HydrophobicContact CB-CD2 4.41Å; A147-S164 WeakPolarHBondContact O-CA 3.39Å; A147-S164 PolarHBondContact O-OG 2.73Å; A147-F165 HydrophobicContact CB-CB 4.42Å; A147-F165 PolarHBondContact O-N 2.65Å
148	V	97.1	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.8	175.3	-168.4	0	0	0	0	107.8	N105 A120 N121 L126 H144 S146 A163	N105-V148 PolarHBondContact ND2-O 2.84Å; A120-V148 HydrophobicContact CB-CB 4Å; A120-V148 HydrophobicContact CB-CG1 3.67Å; N121-V148 PolarHBondContact O-N 3.35Å; L126-V148 HydrophobicContact CD1-CG1 4.17Å; L126-V148 HydrophobicContact CD1-CG2 4.06Å; L126-V148 HydrophobicContact CD2-CG1 3.96Å; L126-V148 HydrophobicContact CG-CB 4.48Å; L126-V148 HydrophobicContact CG-CG1 3.99Å; L126-V148 HydrophobicContact CG-CG2 4.24Å; H144-V148 HydrophobicContact CB-CG2 4.04Å; S146-V148 PolarHBondContact O-N 2.66Å; V148-A163 WeakPolarHBondContact CG1-O 3.32Å
149	L	96.2	Very high	95.8	Very high	37 Å²	37	35.8 Å²	35.8	19%	0.194	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-40.7	-171.8	-58.3	-178.1	0	0	0	111.9	A147 A163 F165 V191 I192	A147-L149 HydrophobicContact CB-CD2 4.41Å; L149-A163 PolarHBondContact N-O 2.79Å; L149-F165 HydrophobicContact CD1-CB 4.18Å; L149-F165 HydrophobicContact CD1-CD2 3.89Å; L149-F165 HydrophobicContact CG-CB 4.36Å; L149-V191 WeakPolarHBondContact CD1-O 3.31Å; L149-I192 HydrophobicContact CD1-CG2 4.4Å
150	D	96.9	Very high	95.9	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.6	-179.6	-160.2	20.2	0	0	0	112.2	T106 S162 A163 C193 V194 K195	T106-D150 VanDerWaalsContact CG2-CA 3.47Å; T106-D150 HydrophobicContact CG2-CB 4.44Å; T106-D150 WeakPolarHBondContact CG2-OD1 3.49Å; D150-S162 WeakPolarHBondContact O-CA 3.46Å; D150-A163 HydrophobicContact CB-CB 4.21Å; D150-A163 PolarHBondContact N-O 3.01Å; D150-A163 PolarHBondContact O-N 2.96Å; D150-C193 WeakPolarHBondContact OD2-CA 3.37Å; D150-C193 PolarHBondContact OD2-SG 3.37Å; D150-V194 HydrophobicContact CB-CG1 4.27Å; D150-V194 PolarHBondContact OD2-N 2.95Å; D150-V194 VanDerWaalsContact OD2-O 3.09Å; D150-K195 IonicContact OD1-NZ 3.07Å; D150-K195 PolarHBondContact OD1-NZ 2.79Å; D150-K195 IonicContact OD2-NZ 2.88Å; D150-K195 PolarHBondContact OD2-NZ 3.2Å
151	V	97.3	Very high	95.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.9	175.9	67.8	0	0	0	0	109	T106 C108 T118 A120 L126 F160 V161	T106-V151 HydrophobicContact CG2-CB 4.47Å; T106-V151 HydrophobicContact CG2-CG1 3.84Å; C108-V151 HydrophobicContact CB-CG1 3.78Å; C108-V151 WeakPolarHBondContact CB-O 3.4Å; T118-V151 HydrophobicContact CG2-CG2 4.14Å; A120-V151 HydrophobicContact CB-CB 4.22Å; A120-V151 HydrophobicContact CB-CG1 4.15Å; L126-V151 HydrophobicContact CD2-CB 3.84Å; L126-V151 HydrophobicContact CD2-CG2 3.52Å; V151-F160 HydrophobicContact CG2-CD2 3.65Å; V151-F160 HydrophobicContact CG2-CE2 4.26Å; V151-F160 HydrophobicContact CG2-CG 4.4Å; V151-V161 CarbonylContact C-O 3.55Å; V151-V161 VanDerWaalsContact CA-O 3.31Å; V151-V161 WeakPolarHBondContact CA-O 3.4Å; V151-V161 WeakPolarHBondContact CG2-O 3.22Å
152	D	97.3	Very high	95.9	Very high	27 Å²	27	32 Å²	32	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141	175	-162.7	32.5	0	0	0	112.6	C108 F160 V161 V194 K195 W196	C108-D152 PolarHBondContact SG-OD1 2.74Å; C108-D152 VanDerWaalsContact SG-OD1 3.35Å; D152-F160 CarbonylContact O-C 3.57Å; D152-F160 VanDerWaalsContact O-CA 3.27Å; D152-F160 WeakPolarHBondContact O-CA 3.46Å; D152-F160 VanDerWaalsContact O-CB 3.3Å; D152-F160 WeakPolarHBondContact O-CB 3.3Å; D152-V161 HydrophobicContact CB-CG1 4.04Å; D152-V161 PolarHBondContact N-O 2.92Å; D152-V161 WeakPolarHBondContact O-CG1 3.45Å; D152-V161 PolarHBondContact O-N 3.19Å; D152-V194 WeakPolarHBondContact CB-O 3.38Å; D152-K195 HydrophobicContact CB-CD 4.4Å; D152-K195 VanDerWaalsContact OD2-CA 3.29Å; D152-K195 WeakPolarHBondContact OD2-CA 3.39Å; D152-W196 PolarHBondContact OD2-N 3.35Å
153	Y	97.1	Very high	96.1	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142.8	-178.6	-92.9	-97.6	0	0	0	111.4	C108 W109 N110 P111 T118 F160 V174 W196	C108-Y153 HydrophobicContact CB-CD2 4Å; C108-Y153 WeakPolarHBondContact O-CE2 3.28Å; W109-Y153 WeakPolarHBondContact O-CD2 3.28Å; N110-Y153 HydrophobicContact CB-CD1 4.1Å; N110-Y153 HydrophobicContact CB-CE1 3.72Å; P111-Y153 VanDerWaalsContact CD-CB 3.47Å; T118-Y153 WeakPolarHBondContact OG1-CE2 3.46Å; T118-Y153 PolarHBondContact OG1-OH 2.98Å; Y153-F160 HydrophobicContact CD1-CB 4.07Å; Y153-F160 HydrophobicContact CD2-CB 4.16Å; Y153-F160 HydrophobicContact CE1-CB 4.3Å; Y153-F160 HydrophobicContact CE1-CD1 4.3Å; Y153-F160 HydrophobicContact CE2-CB 4.36Å; Y153-F160 HydrophobicContact CG-CB 4.01Å; Y153-V174 HydrophobicContact CD1-CG2 4.4Å; Y153-V174 HydrophobicContact CE1-CG2 3.6Å; Y153-W196 WeakPolarHBondContact O-CB 3.48Å
154	S	95.9	Very high	96.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	15%	0.146	C	C	.	.			trans	-60.3	141.6	162.8	-179.6	0	0	0	0	109.1	P111 T156 G157 E159	P111-S154 WeakPolarHBondContact CG-O 3.42Å; S154-T156 PolarHBondContact O-N 3.05Å; S154-T156 PolarHBondContact OG-N 3.43Å; S154-T156 PolarHBondContact OG-OG1 3.39Å; S154-G157 PolarHBondContact O-N 3.15Å; S154-E159 WeakPolarHBondContact CB-O 3.25Å; S154-E159 PolarHBondContact N-O 2.93Å
155	P	94.1	Very high	96.2	Very high	40 Å²	40	30.4 Å²	30.4	26%	0.26	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.3	172	-25.3	32.8	0	0	0	113.6	M112 G157 T197 S198	M112-P155 WeakPolarHBondContact CE-O 2.98Å; P155-G157 VanDerWaalsContact C-N 3.29Å; P155-T197 WeakPolarHBondContact CG-O 3.5Å; P155-S198 WeakPolarHBondContact CG-O 3.19Å
156	T	94.4	Very high	96.1	Very high	58 Å²	58	27.1 Å²	27.1	36%	0.356	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.5	175.9	66.4	0	0	0	0	114	M112 S154 K158	M112-T156 WeakPolarHBondContact CG-O 3.34Å; S154-T156 PolarHBondContact O-N 3.05Å; S154-T156 PolarHBondContact OG-N 3.43Å; S154-T156 PolarHBondContact OG-OG1 3.39Å; T156-K158 PolarHBondContact O-N 3.06Å
157	G	93.8	Very high	96.1	Very high	7 Å²	7	29.5 Å²	29.5	7%	0.072	15%	0.148	C	C	.	.	S	Bend	trans	69.3	2.4	-178.6	0	0	0	0	0	115.7	N110 S154 P155	N110-G157 PolarHBondContact ND2-O 2.88Å; N110-G157 WeakPolarHBondContact OD1-CA 3.43Å; S154-G157 PolarHBondContact O-N 3.15Å; P155-G157 VanDerWaalsContact C-N 3.29Å
158	K	93.8	Very high	96.1	Very high	156 Å²	156	29.3 Å²	29.3	68%	0.678	15%	0.146	S	C	*	.	S	Bend	trans	-93.1	-26.1	-175.8	-65.8	-177.4	-179.5	-179.2	0	114.1	T156 V174	T156-K158 PolarHBondContact O-N 3.06Å; K158-V174 WeakPolarHBondContact O-CG2 3.45Å; K158-V174 PolarHBondContact O-N 3.07Å
159	E	95.6	Very high	96.1	Very high	41 Å²	41	30.4 Å²	30.4	19%	0.192	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.6	-178.1	-60.1	-175.6	142.9	0	0	108.5	S154 I171 F172 R180 W196	S154-E159 WeakPolarHBondContact CB-O 3.25Å; S154-E159 PolarHBondContact N-O 2.93Å; E159-I171 HydrophobicContact CB-CG2 4.33Å; E159-F172 CarbonylContact C-O 3.58Å; E159-F172 VanDerWaalsContact CA-O 3.25Å; E159-F172 WeakPolarHBondContact CA-O 3.17Å; E159-R180 WeakPolarHBondContact OE1-CD 3.48Å; E159-R180 IonicContact OE1-CZ 3.6Å; E159-R180 IonicContact OE1-NH1 2.77Å; E159-R180 PolarHBondContact OE1-NH1 3.15Å; E159-R180 IonicContact OE2-NH1 3.86Å; E159-R180 PolarHBondContact OE2-NH1 3.1Å; E159-W196 HydrophobicContact CB-CH2 4.26Å
160	F	97.1	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.7	170.2	63.3	-91	0	0	0	109.5	T118 L126 H141 V151 D152 Y153 F172 V174	T118-F160 HydrophobicContact CG2-CE2 4.25Å; T118-F160 HydrophobicContact CG2-CZ 4.34Å; L126-F160 HydrophobicContact CD2-CD2 4.49Å; L126-F160 HydrophobicContact CD2-CE2 3.95Å; H141-F160 HydrophobicContact CB-CZ 4.26Å; H141-F160 AromaticContact CD2-CZ 3.45Å; H141-F160 VanDerWaalsContact CD2-CZ 3.45Å; H141-F160 WeakPolarHBondContact CD2-CZ 3.34Å; H141-F160 AromaticContact CE1-CE1 3.69Å; H141-F160 AromaticContact CE1-CZ 3.73Å; H141-F160 AromaticContact CG-CZ 3.58Å; H141-F160 AromaticContact ND1-CZ 3.77Å; H141-F160 AromaticContact NE2-CE1 3.58Å; H141-F160 AromaticContact NE2-CZ 3.54Å; V151-F160 HydrophobicContact CG2-CD2 3.65Å; V151-F160 HydrophobicContact CG2-CE2 4.26Å; V151-F160 HydrophobicContact CG2-CG 4.4Å; D152-F160 CarbonylContact O-C 3.57Å; D152-F160 VanDerWaalsContact O-CA 3.27Å; D152-F160 WeakPolarHBondContact O-CA 3.46Å; D152-F160 VanDerWaalsContact O-CB 3.3Å; D152-F160 WeakPolarHBondContact O-CB 3.3Å; Y153-F160 HydrophobicContact CD1-CB 4.07Å; Y153-F160 HydrophobicContact CD2-CB 4.16Å; Y153-F160 HydrophobicContact CE1-CB 4.3Å; Y153-F160 HydrophobicContact CE1-CD1 4.3Å; Y153-F160 HydrophobicContact CE2-CB 4.36Å; Y153-F160 HydrophobicContact CG-CB 4.01Å; F160-F172 HydrophobicContact CD1-CB 4.21Å; F160-F172 HydrophobicContact CD2-CB 4.04Å; F160-F172 HydrophobicContact CD2-CD2 4.47Å; F160-F172 HydrophobicContact CE1-CB 3.63Å; F160-F172 HydrophobicContact CE2-CB 3.44Å; F160-F172 VanDerWaalsContact CE2-CB 3.44Å; F160-F172 AromaticContact CE2-CD2 3.77Å; F160-F172 HydrophobicContact CE2-CD2 3.77Å; F160-F172 AromaticContact CE2-CG 3.8Å; F160-F172 HydrophobicContact CE2-CG 3.8Å; F160-F172 HydrophobicContact CG-CB 4.39Å; F160-F172 HydrophobicContact CZ-CB 3.21Å; F160-F172 HydrophobicContact CZ-CD2 4.26Å; F160-F172 AromaticContact CZ-CG 3.8Å; F160-F172 HydrophobicContact CZ-CG 3.8Å; F160-F172 PolarHBondContact N-O 3.38Å; F160-F172 PolarHBondContact O-N 2.74Å; F160-V174 HydrophobicContact CD1-CG2 3.93Å; F160-V174 HydrophobicContact CE1-CG2 4.42Å
161	V	97.4	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.3	176.4	65.2	0	0	0	0	109.3	V151 D152 I169 R170 V194 W196 I203	V151-V161 CarbonylContact C-O 3.55Å; V151-V161 VanDerWaalsContact CA-O 3.31Å; V151-V161 WeakPolarHBondContact CA-O 3.4Å; V151-V161 WeakPolarHBondContact CG2-O 3.22Å; D152-V161 HydrophobicContact CB-CG1 4.04Å; D152-V161 PolarHBondContact N-O 2.92Å; D152-V161 WeakPolarHBondContact O-CG1 3.45Å; D152-V161 PolarHBondContact O-N 3.19Å; V161-I169 HydrophobicContact CG2-CG2 3.24Å; V161-R170 CarbonylContact C-O 3.55Å; V161-R170 WeakPolarHBondContact CA-O 3.44Å; V161-R170 WeakPolarHBondContact CG2-O 3.35Å; V161-V194 HydrophobicContact CB-CG2 4.27Å; V161-V194 HydrophobicContact CG1-CB 4.37Å; V161-V194 HydrophobicContact CG1-CG1 3.89Å; V161-V194 HydrophobicContact CG1-CG2 3.61Å; V161-V194 HydrophobicContact CG2-CG1 4.35Å; V161-V194 HydrophobicContact CG2-CG2 3.6Å; V161-W196 HydrophobicContact CB-CE3 3.6Å; V161-W196 HydrophobicContact CB-CZ3 3.64Å; V161-W196 HydrophobicContact CG1-CE3 3.65Å; V161-W196 HydrophobicContact CG1-CZ3 4.23Å; V161-I203 HydrophobicContact CB-CD1 4.33Å; V161-I203 HydrophobicContact CG1-CG2 4.46Å; V161-I203 HydrophobicContact CG2-CD1 3.97Å; V161-I203 HydrophobicContact CG2-CG2 3.96Å
162	S	97.5	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.4	174.7	58.5	0	0	0	0	111.3	H144 D150 I169 R170 F172	H144-S162 PolarHBondContact NE2-OG 2.85Å; D150-S162 WeakPolarHBondContact O-CA 3.46Å; S162-I169 WeakPolarHBondContact O-CA 3.45Å; S162-R170 PolarHBondContact N-O 3.22Å; S162-R170 PolarHBondContact O-N 3.2Å; S162-R170 PolarHBondContact OG-O 3.47Å; S162-F172 WeakPolarHBondContact OG-CE2 3.12Å
163	A	97.1	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.7	173.9	0	0	0	0	0	109.8	V148 L149 D150 V191 V194	V148-A163 WeakPolarHBondContact CG1-O 3.32Å; L149-A163 PolarHBondContact N-O 2.79Å; D150-A163 HydrophobicContact CB-CB 4.21Å; D150-A163 PolarHBondContact N-O 3.01Å; D150-A163 PolarHBondContact O-N 2.96Å; A163-V191 HydrophobicContact CB-CB 3.88Å; A163-V191 HydrophobicContact CB-CG1 3.5Å; A163-V191 VanDerWaalsContact CB-CG1 3.5Å; A163-V194 HydrophobicContact CB-CB 3.84Å; A163-V194 HydrophobicContact CB-CG1 3.61Å
164	S	96.8	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.8	-178.5	173.2	0	0	0	0	112.5	H144 S146 A147 D166 K167 S168 V191	H144-S164 WeakPolarHBondContact CE1-CB 3.4Å; H144-S164 WeakPolarHBondContact ND1-CB 3.43Å; S146-S164 PolarHBondContact O-OG 3.06Å; A147-S164 WeakPolarHBondContact O-CA 3.39Å; A147-S164 PolarHBondContact O-OG 2.73Å; S164-D166 VanDerWaalsContact CB-OD1 3.27Å; S164-D166 WeakPolarHBondContact CB-OD1 3.33Å; S164-D166 PolarHBondContact O-N 3.1Å; S164-D166 PolarHBondContact OG-N 2.87Å; S164-D166 VanDerWaalsContact OG-N 3.1Å; S164-D166 PolarHBondContact OG-OD1 3.32Å; S164-K167 PolarHBondContact O-N 3.43Å; S164-S168 PolarHBondContact N-O 2.99Å; S164-V191 PolarHBondContact O-N 2.86Å
165	F	96.5	Very high	95.8	Very high	94 Å²	94	35.9 Å²	35.9	41%	0.412	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.6	169.3	-156.9	-97.3	0	0	0	112.3	A147 L149 K167 H190	A147-F165 HydrophobicContact CB-CB 4.42Å; A147-F165 PolarHBondContact O-N 2.65Å; L149-F165 HydrophobicContact CD1-CB 4.18Å; L149-F165 HydrophobicContact CD1-CD2 3.89Å; L149-F165 HydrophobicContact CG-CB 4.36Å; F165-K167 PolarHBondContact O-N 2.95Å; F165-K167 VanDerWaalsContact O-N 3.17Å; F165-H190 AromaticContact CD1-CE1 3.59Å; F165-H190 AromaticContact CD1-ND1 3.38Å; F165-H190 WeakPolarHBondContact CD1-ND1 3.35Å; F165-H190 HydrophobicContact CD2-CB 3.94Å; F165-H190 AromaticContact CD2-CG 3.79Å; F165-H190 AromaticContact CD2-ND1 3.56Å; F165-H190 AromaticContact CE1-CE1 3.16Å; F165-H190 WeakPolarHBondContact CE1-CE1 3.23Å; F165-H190 AromaticContact CE1-ND1 3.37Å; F165-H190 WeakPolarHBondContact CE1-ND1 3.09Å; F165-H190 AromaticContact CE1-NE2 3.93Å; F165-H190 HydrophobicContact CE2-CB 3.99Å; F165-H190 AromaticContact CE2-CE1 3.94Å; F165-H190 AromaticContact CE2-CG 3.56Å; F165-H190 AromaticContact CE2-ND1 3.53Å; F165-H190 AromaticContact CG-ND1 3.48Å; F165-H190 WeakPolarHBondContact CG-ND1 3.35Å; F165-H190 AromaticContact CZ-CD2 3.91Å; F165-H190 AromaticContact CZ-CE1 3.36Å; F165-H190 WeakPolarHBondContact CZ-CE1 3.21Å; F165-H190 AromaticContact CZ-CG 3.76Å; F165-H190 AromaticContact CZ-ND1 3.43Å; F165-H190 WeakPolarHBondContact CZ-ND1 3.34Å; F165-H190 AromaticContact CZ-NE2 3.71Å; F165-H190 PolarHBondContact O-ND1 2.5Å
166	D	95.1	Very high	95.8	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	4.1	174.5	71.9	10.5	0	0	0	114.4	H144 V145 S164 S168 R170	H144-D166 IonicContact CG-OD2 2.71Å; H144-D166 IonicContact ND1-OD1 3.66Å; H144-D166 IonicContact ND1-OD2 2.77Å; H144-D166 PolarHBondContact ND1-OD2 2.88Å; V145-D166 HydrophobicContact CB-CB 4.44Å; V145-D166 PolarHBondContact N-OD2 2.86Å; S164-D166 VanDerWaalsContact CB-OD1 3.27Å; S164-D166 WeakPolarHBondContact CB-OD1 3.33Å; S164-D166 PolarHBondContact O-N 3.1Å; S164-D166 PolarHBondContact OG-N 2.87Å; S164-D166 VanDerWaalsContact OG-N 3.1Å; S164-D166 PolarHBondContact OG-OD1 3.32Å; D166-S168 VanDerWaalsContact CG-OG 3.23Å; D166-S168 PolarHBondContact O-N 3.37Å; D166-S168 VanDerWaalsContact OD1-CB 3.31Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 2.71Å; D166-S168 PolarHBondContact OD1-OG 2.97Å; D166-S168 PolarHBondContact OD2-OG 3.31Å; D166-R170 IonicContact OD2-NH1 3.23Å; D166-R170 PolarHBondContact OD2-NH1 3.08Å
167	K	95.7	Very high	95.8	Very high	81 Å²	81	39.8 Å²	39.8	35%	0.352	19%	0.194	S	C	.	.	S	Bend	trans	68.2	22.6	178.9	-42.2	177.4	-178.9	-170.3	0	113.4	S164 F165 Q189	S164-K167 PolarHBondContact O-N 3.43Å; F165-K167 PolarHBondContact O-N 2.95Å; F165-K167 VanDerWaalsContact O-N 3.17Å; K167-Q189 WeakPolarHBondContact CA-O 3.19Å; K167-Q189 WeakPolarHBondContact CB-O 3.39Å
168	S	95.8	Very high	95.9	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.063	22%	0.216	C	C	.	.			trans	-121.6	151.7	174	76.6	0	0	0	0	111.7	S164 D166 R170 Y183	S164-S168 PolarHBondContact N-O 2.99Å; D166-S168 VanDerWaalsContact CG-OG 3.23Å; D166-S168 PolarHBondContact O-N 3.37Å; D166-S168 VanDerWaalsContact OD1-CB 3.31Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 2.71Å; D166-S168 PolarHBondContact OD1-OG 2.97Å; D166-S168 PolarHBondContact OD2-OG 3.31Å; S168-R170 PolarHBondContact OG-NH1 2.8Å; S168-Y183 WeakPolarHBondContact CA-O 3.31Å
169	I	97	Very high	96	Very high	23 Å²	23	40 Å²	40	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	163.9	-69.4	162.2	0	0	0	106.6	V161 S162 Y183 M188 V191 V194 I203	V161-I169 HydrophobicContact CG2-CG2 3.24Å; S162-I169 WeakPolarHBondContact O-CA 3.45Å; I169-Y183 PolarHBondContact N-O 2.82Å; I169-Y183 PolarHBondContact O-N 3.31Å; I169-M188 HydrophobicContact CB-CE 4.17Å; I169-M188 HydrophobicContact CD1-CE 3.65Å; I169-M188 HydrophobicContact CG1-CE 3.56Å; I169-V191 HydrophobicContact CD1-CG1 4.02Å; I169-V191 HydrophobicContact CG1-CB 4.46Å; I169-V191 HydrophobicContact CG1-CG1 3.79Å; I169-V191 HydrophobicContact CG1-CG2 4.2Å; I169-V194 HydrophobicContact CG2-CG2 4.32Å; I169-I203 HydrophobicContact CG2-CG2 4.41Å
170	R	96.9	Very high	96	Very high	30 Å²	30	44.4 Å²	44.4	11%	0.113	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.5	178	-71.8	-167.6	159.2	103.1	-15.9	111	D143 H144 V161 S162 D166 S168 F172 E181 V182	D143-R170 VanDerWaalsContact C-CZ 3.49Å; D143-R170 PolarHBondContact O-NH1 2.77Å; D143-R170 PolarHBondContact O-NH2 3.29Å; H144-R170 PolarHBondContact ND1-NH1 2.61Å; V161-R170 CarbonylContact C-O 3.55Å; V161-R170 WeakPolarHBondContact CA-O 3.44Å; V161-R170 WeakPolarHBondContact CG2-O 3.35Å; S162-R170 PolarHBondContact N-O 3.22Å; S162-R170 PolarHBondContact O-N 3.2Å; S162-R170 PolarHBondContact OG-O 3.47Å; D166-R170 IonicContact OD2-NH1 3.23Å; D166-R170 PolarHBondContact OD2-NH1 3.08Å; S168-R170 PolarHBondContact OG-NH1 2.8Å; R170-F172 HydrophobicContact CB-CD2 4.07Å; R170-F172 HydrophobicContact CB-CE2 3.44Å; R170-F172 VanDerWaalsContact CB-CE2 3.44Å; R170-F172 HydrophobicContact CB-CZ 4.13Å; R170-F172 HydrophobicContact CG-CE2 4.41Å; R170-E181 WeakPolarHBondContact CA-O 3.22Å; R170-V182 HydrophobicContact CG-CB 4.38Å; R170-V182 HydrophobicContact CG-CG1 4.07Å; R170-V182 HydrophobicContact CG-CG2 3.98Å
171	I	97.3	Very high	95.9	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.3	174	-56.6	178.2	0	0	0	108.2	E159 S179 R180 E181 Y183 W196 I203	E159-I171 HydrophobicContact CB-CG2 4.33Å; I171-S179 CarbonylContact O-C 3.57Å; I171-S179 WeakPolarHBondContact O-CA 3.43Å; I171-R180 PolarHBondContact O-N 3.33Å; I171-E181 PolarHBondContact N-O 3.06Å; I171-Y183 HydrophobicContact CD1-CD2 4.3Å; I171-Y183 HydrophobicContact CD1-CE2 3.55Å; I171-Y183 HydrophobicContact CG1-CD2 4.48Å; I171-Y183 HydrophobicContact CG1-CE2 4.15Å; I171-W196 HydrophobicContact CD1-CH2 4.17Å; I171-W196 HydrophobicContact CG1-CH2 4.38Å; I171-W196 HydrophobicContact CG1-CZ3 4.47Å; I171-W196 HydrophobicContact CG2-CH2 3.77Å; I171-W196 HydrophobicContact CG2-CZ3 4.07Å; I171-I203 HydrophobicContact CD1-CD1 3.5Å; I171-I203 HydrophobicContact CG1-CD1 3.82Å
172	F	97.1	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.8	-179.2	-71.9	-90.8	0	0	0	110.1	L126 H141 D143 H144 E159 F160 S162 R170	L126-F172 HydrophobicContact CD1-CE2 4.04Å; L126-F172 HydrophobicContact CD1-CZ 4.35Å; H141-F172 HydrophobicContact CB-CD1 3.87Å; H141-F172 HydrophobicContact CB-CE1 3.93Å; H141-F172 HydrophobicContact CB-CG 4.46Å; D143-F172 HydrophobicContact CB-CE1 4.31Å; D143-F172 HydrophobicContact CB-CZ 4.11Å; H144-F172 AromaticContact NE2-CE2 3.99Å; E159-F172 CarbonylContact C-O 3.58Å; E159-F172 VanDerWaalsContact CA-O 3.25Å; E159-F172 WeakPolarHBondContact CA-O 3.17Å; F160-F172 HydrophobicContact CD1-CB 4.21Å; F160-F172 HydrophobicContact CD2-CB 4.04Å; F160-F172 HydrophobicContact CD2-CD2 4.47Å; F160-F172 HydrophobicContact CE1-CB 3.63Å; F160-F172 HydrophobicContact CE2-CB 3.44Å; F160-F172 VanDerWaalsContact CE2-CB 3.44Å; F160-F172 AromaticContact CE2-CD2 3.77Å; F160-F172 HydrophobicContact CE2-CD2 3.77Å; F160-F172 AromaticContact CE2-CG 3.8Å; F160-F172 HydrophobicContact CE2-CG 3.8Å; F160-F172 HydrophobicContact CG-CB 4.39Å; F160-F172 HydrophobicContact CZ-CB 3.21Å; F160-F172 HydrophobicContact CZ-CD2 4.26Å; F160-F172 AromaticContact CZ-CG 3.8Å; F160-F172 HydrophobicContact CZ-CG 3.8Å; F160-F172 PolarHBondContact N-O 3.38Å; F160-F172 PolarHBondContact O-N 2.74Å; S162-F172 WeakPolarHBondContact OG-CE2 3.12Å; R170-F172 HydrophobicContact CB-CD2 4.07Å; R170-F172 HydrophobicContact CB-CE2 3.44Å; R170-F172 VanDerWaalsContact CB-CE2 3.44Å; R170-F172 HydrophobicContact CB-CZ 4.13Å; R170-F172 HydrophobicContact CG-CE2 4.41Å
173	P	96.1	Very high	95.8	Very high	17 Å²	17	56 Å²	56	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.2	162	-18	34.1	0	0	0	109.8	D175 K176 R180	P173-D175 PolarHBondContact O-N 3.22Å; P173-K176 HydrophobicContact CB-CB 4.19Å; P173-K176 HydrophobicContact CB-CD 4.33Å; P173-K176 HydrophobicContact CB-CG 4.23Å; P173-K176 HydrophobicContact CG-CB 4.39Å; P173-K176 HydrophobicContact CG-CD 4.18Å; P173-K176 PolarHBondContact O-N 2.83Å; P173-K176 VanDerWaalsContact O-N 3.09Å; P173-K176 VanDerWaalsContact O-O 3.12Å; P173-R180 HydrophobicContact CG-CB 3.94Å
174	V	93.6	Very high	95.7	Very high	14 Å²	14	62.5 Å²	62.5	9%	0.085	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.3	-178.5	175.6	0	0	0	0	111.9	M139 Y153 K158 F160 K176	M139-V174 VanDerWaalsContact SD-O 3.34Å; Y153-V174 HydrophobicContact CD1-CG2 4.4Å; Y153-V174 HydrophobicContact CE1-CG2 3.6Å; K158-V174 WeakPolarHBondContact O-CG2 3.45Å; K158-V174 PolarHBondContact O-N 3.07Å; F160-V174 HydrophobicContact CD1-CG2 3.93Å; F160-V174 HydrophobicContact CE1-CG2 4.42Å; V174-K176 VanDerWaalsContact C-N 3.3Å; V174-K176 PolarHBondContact O-N 2.89Å
175	D	92.6	Very high	95.6	Very high	137 Å²	137	67 Å²	67	73%	0.733	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	1.6	-177.9	-56	-39.9	0	0	0	114.3	M139 P173	M139-D175 WeakPolarHBondContact CE-O 3.33Å; M139-D175 VanDerWaalsContact SD-C 3.57Å; P173-D175 PolarHBondContact O-N 3.22Å
176	K	94.6	Very high	95.5	Very high	134 Å²	134	72.5 Å²	72.5	58%	0.583	34%	0.343	S	S	*	.			trans	-132.2	131.4	-174.4	-63	-173.3	-174	174.3	0	112.2	M139 H141 P173 V174 R178	M139-K176 PolarHBondContact SD-N 3.31Å; M139-K176 VanDerWaalsContact SD-N 3.43Å; H141-K176 PolarHBondContact CE1-O 3.23Å; H141-K176 PolarHBondContact ND1-O 3.13Å; P173-K176 HydrophobicContact CB-CB 4.19Å; P173-K176 HydrophobicContact CB-CD 4.33Å; P173-K176 HydrophobicContact CB-CG 4.23Å; P173-K176 HydrophobicContact CG-CB 4.39Å; P173-K176 HydrophobicContact CG-CD 4.18Å; P173-K176 PolarHBondContact O-N 2.83Å; P173-K176 VanDerWaalsContact O-N 3.09Å; P173-K176 VanDerWaalsContact O-O 3.12Å; V174-K176 VanDerWaalsContact C-N 3.3Å; V174-K176 PolarHBondContact O-N 2.89Å; K176-R178 PolarHBondContact O-N 2.96Å
177	S	94.7	Very high	95.5	Very high	45 Å²	45	81.5 Å²	81.5	32%	0.315	37%	0.374	S	S	.	.	S	Bend	trans	-65.9	-16.8	176.5	176.1	0	0	0	0	114.7	M139 V140 H141 M142	M139-S177 PolarHBondContact SD-N 3.31Å; V140-S177 VanDerWaalsContact O-CB 3.28Å; V140-S177 WeakPolarHBondContact O-CB 3.1Å; V140-S177 PolarHBondContact O-OG 3.03Å; H141-S177 CarbonylContact C-O 3.53Å; H141-S177 VanDerWaalsContact CA-O 3.28Å; H141-S177 WeakPolarHBondContact CA-O 3.27Å; M142-S177 PolarHBondContact N-O 3.36Å
178	R	95.1	Very high	95.4	Very high	142 Å²	142	79.8 Å²	79.8	54%	0.536	37%	0.368	S	S	.	.	S	Bend	trans	-111	148.3	-176.5	-65.4	-66.5	-176.9	177.9	-5.5	111.3	M142 D143 K176	M142-R178 WeakPolarHBondContact O-CD 3.37Å; M142-R178 PolarHBondContact O-NH1 3.3Å; D143-R178 VanDerWaalsContact OD1-CD 3.23Å; D143-R178 WeakPolarHBondContact OD1-CD 3.36Å; D143-R178 IonicContact OD1-CZ 3.8Å; D143-R178 IonicContact OD1-NE 3.48Å; D143-R178 IonicContact OD1-NH1 2.8Å; D143-R178 PolarHBondContact OD1-NH1 2.56Å; K176-R178 PolarHBondContact O-N 2.96Å
179	S	95.8	Very high	95.3	Very high	25 Å²	25	84.1 Å²	84.1	18%	0.175	39%	0.387	C	S	.	.			trans	-64.2	138.2	175.8	60.2	0	0	0	0	110.5	D143 I171	D143-S179 VanDerWaalsContact OD2-CB 3.32Å; D143-S179 WeakPolarHBondContact OD2-CB 3.43Å; D143-S179 PolarHBondContact OD2-N 2.96Å; D143-S179 PolarHBondContact OD2-OG 2.91Å; I171-S179 CarbonylContact O-C 3.57Å; I171-S179 WeakPolarHBondContact O-CA 3.43Å
180	R	95.3	Very high	95.1	Very high	135 Å²	135	86.9 Å²	86.9	51%	0.509	40%	0.399	S	S	.	.	S	Bend	trans	-75.5	-45.5	172.3	175.6	-171.1	151.5	-159.8	-12.2	110	E159 I171 P173	E159-R180 WeakPolarHBondContact OE1-CD 3.48Å; E159-R180 IonicContact OE1-CZ 3.6Å; E159-R180 IonicContact OE1-NH1 2.77Å; E159-R180 PolarHBondContact OE1-NH1 3.15Å; E159-R180 IonicContact OE2-NH1 3.86Å; E159-R180 PolarHBondContact OE2-NH1 3.1Å; I171-R180 PolarHBondContact O-N 3.33Å; P173-R180 HydrophobicContact CG-CB 3.94Å
181	E	95.6	Very high	95	Very high	62 Å²	62	86.3 Å²	86.3	29%	0.29	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.4	-174.2	-81.6	168.2	-150.1	0	0	111.2	R170 I171 Y183	R170-E181 WeakPolarHBondContact CA-O 3.22Å; I171-E181 PolarHBondContact N-O 3.06Å; E181-Y183 HydrophobicContact CB-CE2 3.94Å; E181-Y183 PolarHBondContact OE2-OH 3Å
182	V	96.1	Very high	94.9	Very high	64 Å²	64	92.3 Å²	92.3	39%	0.388	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.1	177.9	-173.3	0	0	0	0	108.9	R170	R170-V182 HydrophobicContact CG-CB 4.38Å; R170-V182 HydrophobicContact CG-CG1 4.07Å; R170-V182 HydrophobicContact CG-CG2 3.98Å
183	Y	96.3	Very high	94.8	Very high	116 Å²	116	95.4 Å²	95.4	46%	0.455	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.2	176.2	-67.4	-92.5	0	0	0	109.2	S168 I169 I171 E181	S168-Y183 WeakPolarHBondContact CA-O 3.31Å; I169-Y183 PolarHBondContact N-O 2.82Å; I169-Y183 PolarHBondContact O-N 3.31Å; I171-Y183 HydrophobicContact CD1-CD2 4.3Å; I171-Y183 HydrophobicContact CD1-CE2 3.55Å; I171-Y183 HydrophobicContact CG1-CD2 4.48Å; I171-Y183 HydrophobicContact CG1-CE2 4.15Å; E181-Y183 HydrophobicContact CB-CE2 3.94Å; E181-Y183 PolarHBondContact OE2-OH 3Å
184	H	95.1	Very high	94.8	Very high	138 Å²	138	94.6 Å²	94.6	64%	0.639	45%	0.445	S	S	*	.			trans	-147.6	146.9	174.1	66.1	81.1	0	0	0	110
185	T	95.4	Very high	94.9	Very high	94 Å²	94	97.5 Å²	97.5	58%	0.577	46%	0.457	S	S	*	.			trans	-135.4	149.4	176.2	-67.6	0	0	0	0	109.8	R187 M188	T185-R187 PolarHBondContact O-N 2.88Å; T185-R187 VanDerWaalsContact O-N 3.09Å; T185-M188 VanDerWaalsContact O-CB 3.23Å; T185-M188 WeakPolarHBondContact O-CB 3.16Å; T185-M188 PolarHBondContact O-N 2.8Å
186	K	94.4	Very high	95.1	Very high	209 Å²	209	92.3 Å²	92.3	91%	0.909	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.8	-179.3	-70	-175.2	178.6	-180	0	114.3
187	R	95.3	Very high	95.1	Very high	228 Å²	228	86.9 Å²	86.9	86%	0.86	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.7	178.7	-65.5	-174.5	177.2	-176	-0.9	113.2	T185 Q189	T185-R187 PolarHBondContact O-N 2.88Å; T185-R187 VanDerWaalsContact O-N 3.09Å; R187-Q189 PolarHBondContact O-N 2.93Å
188	M	93.2	Very high	95	Very high	46 Å²	46	90.2 Å²	90.2	23%	0.227	43%	0.429	C	S	.	.			trans	-71.9	124.3	-178.7	-167.4	167.8	150.4	0	0	109.1	I169 T185 V191	I169-M188 HydrophobicContact CB-CE 4.17Å; I169-M188 HydrophobicContact CD1-CE 3.65Å; I169-M188 HydrophobicContact CG1-CE 3.56Å; T185-M188 VanDerWaalsContact O-CB 3.23Å; T185-M188 WeakPolarHBondContact O-CB 3.16Å; T185-M188 PolarHBondContact O-N 2.8Å; M188-V191 HydrophobicContact CE-CG2 3.25Å; M188-V191 HydrophobicContact CG-CG2 4.15Å
189	Q	93.4	Very high	94.8	Very high	99 Å²	99	87 Å²	87	46%	0.463	42%	0.422	S	S	.	.			trans	-104.4	-152.5	175	-59.3	-52.9	-47.8	0	0	109	K167 R187 V191	K167-Q189 WeakPolarHBondContact CA-O 3.19Å; K167-Q189 WeakPolarHBondContact CB-O 3.39Å; R187-Q189 PolarHBondContact O-N 2.93Å; Q189-V191 PolarHBondContact O-N 3.29Å
190	H	93.3	Very high	94.6	Very high	82 Å²	82	88 Å²	88	38%	0.38	43%	0.429	S	S	.	.			trans	-56.8	122.5	179.9	-54.6	-66	0	0	0	110.5	F165	F165-H190 AromaticContact CD1-CE1 3.59Å; F165-H190 AromaticContact CD1-ND1 3.38Å; F165-H190 WeakPolarHBondContact CD1-ND1 3.35Å; F165-H190 HydrophobicContact CD2-CB 3.94Å; F165-H190 AromaticContact CD2-CG 3.79Å; F165-H190 AromaticContact CD2-ND1 3.56Å; F165-H190 AromaticContact CE1-CE1 3.16Å; F165-H190 WeakPolarHBondContact CE1-CE1 3.23Å; F165-H190 AromaticContact CE1-ND1 3.37Å; F165-H190 WeakPolarHBondContact CE1-ND1 3.09Å; F165-H190 AromaticContact CE1-NE2 3.93Å; F165-H190 HydrophobicContact CE2-CB 3.99Å; F165-H190 AromaticContact CE2-CE1 3.94Å; F165-H190 AromaticContact CE2-CG 3.56Å; F165-H190 AromaticContact CE2-ND1 3.53Å; F165-H190 AromaticContact CG-ND1 3.48Å; F165-H190 WeakPolarHBondContact CG-ND1 3.35Å; F165-H190 AromaticContact CZ-CD2 3.91Å; F165-H190 AromaticContact CZ-CE1 3.36Å; F165-H190 WeakPolarHBondContact CZ-CE1 3.21Å; F165-H190 AromaticContact CZ-CG 3.76Å; F165-H190 AromaticContact CZ-ND1 3.43Å; F165-H190 WeakPolarHBondContact CZ-ND1 3.34Å; F165-H190 AromaticContact CZ-NE2 3.71Å; F165-H190 PolarHBondContact O-ND1 2.5Å
191	V	95.1	Very high	94.4	Very high	18 Å²	18	89 Å²	89	11%	0.109	44%	0.437	C	S	.	.			trans	-91.9	108.4	-177.4	-168.5	0	0	0	0	107.6	L149 A163 S164 I169 M188 Q189	L149-V191 WeakPolarHBondContact CD1-O 3.31Å; A163-V191 HydrophobicContact CB-CB 3.88Å; A163-V191 HydrophobicContact CB-CG1 3.5Å; A163-V191 VanDerWaalsContact CB-CG1 3.5Å; S164-V191 PolarHBondContact O-N 2.86Å; I169-V191 HydrophobicContact CD1-CG1 4.02Å; I169-V191 HydrophobicContact CG1-CB 4.46Å; I169-V191 HydrophobicContact CG1-CG1 3.79Å; I169-V191 HydrophobicContact CG1-CG2 4.2Å; M188-V191 HydrophobicContact CE-CG2 3.25Å; M188-V191 HydrophobicContact CG-CG2 4.15Å; Q189-V191 PolarHBondContact O-N 3.29Å
192	I	95	Very high	94.4	Very high	133 Å²	133	93.4 Å²	93.4	68%	0.682	45%	0.452	S	S	*	.			trans	-87.7	-30.2	-171.3	56.7	169.5	0	0	0	113.9	L149	L149-I192 HydrophobicContact CD1-CG2 4.4Å
193	C	94.6	Very high	94.4	Very high	65 Å²	65	92.9 Å²	92.9	44%	0.439	45%	0.446	S	S	.	.			trans	-145.9	145.3	-173.6	-176.5	0	0	0	0	107.5	D150	D150-C193 WeakPolarHBondContact OD2-CA 3.37Å; D150-C193 PolarHBondContact OD2-SG 3.37Å
194	V	96.3	Very high	94.2	Very high	0 Å²	0	95.5 Å²	95.5	0%	0	47%	0.465	C	S	.	.			trans	-144	139.5	172.1	64	0	0	0	0	109.5	D150 D152 V161 A163 I169 I203 M204	D150-V194 HydrophobicContact CB-CG1 4.27Å; D150-V194 PolarHBondContact OD2-N 2.95Å; D150-V194 VanDerWaalsContact OD2-O 3.09Å; D152-V194 WeakPolarHBondContact CB-O 3.38Å; V161-V194 HydrophobicContact CB-CG2 4.27Å; V161-V194 HydrophobicContact CG1-CB 4.37Å; V161-V194 HydrophobicContact CG1-CG1 3.89Å; V161-V194 HydrophobicContact CG1-CG2 3.61Å; V161-V194 HydrophobicContact CG2-CG1 4.35Å; V161-V194 HydrophobicContact CG2-CG2 3.6Å; A163-V194 HydrophobicContact CB-CB 3.84Å; A163-V194 HydrophobicContact CB-CG1 3.61Å; I169-V194 HydrophobicContact CG2-CG2 4.32Å; V194-I203 HydrophobicContact CG2-CG2 3.32Å; V194-M204 CarbonylContact C-O 3.55Å; V194-M204 WeakPolarHBondContact CA-O 3.37Å
195	K	96.3	Very high	94.1	Very high	75 Å²	75	93.4 Å²	93.4	33%	0.326	46%	0.456	S	S	.	.			trans	-134.9	136.3	177.7	-65.5	-72.2	159.2	-98.4	0	111.3	D150 D152 M204	D150-K195 IonicContact OD1-NZ 3.07Å; D150-K195 PolarHBondContact OD1-NZ 2.79Å; D150-K195 IonicContact OD2-NZ 2.88Å; D150-K195 PolarHBondContact OD2-NZ 3.2Å; D152-K195 HydrophobicContact CB-CD 4.4Å; D152-K195 VanDerWaalsContact OD2-CA 3.29Å; D152-K195 WeakPolarHBondContact OD2-CA 3.39Å; K195-M204 PolarHBondContact N-O 3.21Å; K195-M204 PolarHBondContact O-N 3.44Å
196	W	95.4	Very high	94.1	Very high	29 Å²	29	93.4 Å²	93.4	11%	0.11	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-81.9	133.3	170.5	-146.6	-65.1	0	0	0	108.9	D152 Y153 E159 V161 I171 S200 I203	D152-W196 PolarHBondContact OD2-N 3.35Å; Y153-W196 WeakPolarHBondContact O-CB 3.48Å; E159-W196 HydrophobicContact CB-CH2 4.26Å; V161-W196 HydrophobicContact CB-CE3 3.6Å; V161-W196 HydrophobicContact CB-CZ3 3.64Å; V161-W196 HydrophobicContact CG1-CE3 3.65Å; V161-W196 HydrophobicContact CG1-CZ3 4.23Å; I171-W196 HydrophobicContact CD1-CH2 4.17Å; I171-W196 HydrophobicContact CG1-CH2 4.38Å; I171-W196 HydrophobicContact CG1-CZ3 4.47Å; I171-W196 HydrophobicContact CG2-CH2 3.77Å; I171-W196 HydrophobicContact CG2-CZ3 4.07Å; W196-S200 VanDerWaalsContact NE1-CA 3.35Å; W196-S200 PolarHBondContact NE1-O 2.73Å; W196-I203 HydrophobicContact CD2-CG1 4.26Å; W196-I203 HydrophobicContact CE3-CD1 4.49Å; W196-I203 HydrophobicContact CE3-CG1 4.31Å; W196-I203 HydrophobicContact CH2-CD1 4.21Å; W196-I203 HydrophobicContact CZ3-CD1 4.19Å; W196-I203 HydrophobicContact CZ3-CG1 4.48Å
197	T	96.1	Very high	94.1	Very high	20 Å²	20	86.9 Å²	86.9	12%	0.123	43%	0.425	C	S	.	.			trans	-68.3	146.8	174.5	49.3	0	0	0	0	111.9	P155 D199 S200 Y202 M204	P155-T197 WeakPolarHBondContact CG-O 3.5Å; T197-D199 WeakPolarHBondContact CB-OD1 3.36Å; T197-D199 PolarHBondContact O-N 3.17Å; T197-D199 VanDerWaalsContact O-N 3.12Å; T197-D199 PolarHBondContact OG1-OD1 2.96Å; T197-S200 WeakPolarHBondContact O-CA 3.34Å; T197-S200 PolarHBondContact O-N 3.43Å; T197-Y202 WeakPolarHBondContact CB-O 3.43Å; T197-Y202 WeakPolarHBondContact CG2-O 3.23Å; T197-Y202 PolarHBondContact N-O 3.23Å; T197-Y202 VanDerWaalsContact OG1-C 3.32Å; T197-Y202 WeakPolarHBondContact OG1-CA 3.39Å; T197-Y202 PolarHBondContact OG1-N 2.94Å; T197-Y202 PolarHBondContact OG1-O 3.18Å; T197-M204 HydrophobicContact CG2-CE 3.65Å; T197-M204 HydrophobicContact CG2-CG 4.06Å; T197-M204 HydrophobicContact CG2-SD 4.3Å
198	S	91.2	Very high	94	Very high	115 Å²	115	78.6 Å²	78.6	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.6	-178.3	-49.8	0	0	0	0	113.7	P155 S200	P155-S198 WeakPolarHBondContact CG-O 3.19Å; S198-S200 PolarHBondContact O-N 2.83Å
199	D	92.8	Very high	94	Very high	74 Å²	74	80.7 Å²	80.7	40%	0.396	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.7	174.3	77.7	-15.3	0	0	0	113.3	T197 K201	T197-D199 WeakPolarHBondContact CB-OD1 3.36Å; T197-D199 PolarHBondContact O-N 3.17Å; T197-D199 VanDerWaalsContact O-N 3.12Å; T197-D199 PolarHBondContact OG1-OD1 2.96Å; D199-K201 PolarHBondContact O-N 3.09Å; D199-K201 PolarHBondContact OD1-N 2.94Å
200	S	91.3	Very high	94.1	Very high	46 Å²	46	79.5 Å²	79.5	32%	0.322	41%	0.406	S	S	.	.	S	Bend	trans	63.4	8.7	-177.7	70.2	0	0	0	0	116.2	W196 T197 S198	W196-S200 VanDerWaalsContact NE1-CA 3.35Å; W196-S200 PolarHBondContact NE1-O 2.73Å; T197-S200 WeakPolarHBondContact O-CA 3.34Å; T197-S200 PolarHBondContact O-N 3.43Å; S198-S200 PolarHBondContact O-N 2.83Å
201	K	91.4	Very high	94.1	Very high	157 Å²	157	79.3 Å²	79.3	68%	0.683	41%	0.408	S	S	*	.	S	Bend	trans	-98.3	-32.6	-172	-68.7	177.5	-171.6	167.4	0	114.5	D199	D199-K201 PolarHBondContact O-N 3.09Å; D199-K201 PolarHBondContact OD1-N 2.94Å
202	Y	95.2	Very high	94.1	Very high	153 Å²	153	84 Å²	84	60%	0.6	43%	0.431	S	S	*	.			trans	-119.1	155.3	-174.1	-56	-81.7	0	0	0	111.7	T197	T197-Y202 WeakPolarHBondContact CB-O 3.43Å; T197-Y202 WeakPolarHBondContact CG2-O 3.23Å; T197-Y202 PolarHBondContact N-O 3.23Å; T197-Y202 VanDerWaalsContact OG1-C 3.32Å; T197-Y202 WeakPolarHBondContact OG1-CA 3.39Å; T197-Y202 PolarHBondContact OG1-N 2.94Å; T197-Y202 PolarHBondContact OG1-O 3.18Å
203	I	95.3	Very high	94	Very high	53 Å²	53	79.9 Å²	79.9	27%	0.272	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-118.5	131.9	173	-64	166.4	0	0	0	106.3	V161 I169 I171 V194 W196	V161-I203 HydrophobicContact CB-CD1 4.33Å; V161-I203 HydrophobicContact CG1-CG2 4.46Å; V161-I203 HydrophobicContact CG2-CD1 3.97Å; V161-I203 HydrophobicContact CG2-CG2 3.96Å; I169-I203 HydrophobicContact CG2-CG2 4.41Å; I171-I203 HydrophobicContact CD1-CD1 3.5Å; I171-I203 HydrophobicContact CG1-CD1 3.82Å; V194-I203 HydrophobicContact CG2-CG2 3.32Å; W196-I203 HydrophobicContact CD2-CG1 4.26Å; W196-I203 HydrophobicContact CE3-CD1 4.49Å; W196-I203 HydrophobicContact CE3-CG1 4.31Å; W196-I203 HydrophobicContact CH2-CD1 4.21Å; W196-I203 HydrophobicContact CZ3-CD1 4.19Å; W196-I203 HydrophobicContact CZ3-CG1 4.48Å
204	M	92.1	Very high	93.9	Very high	172 Å²	172	81.3 Å²	81.3	85%	0.847	41%	0.407	S	S	*	.			trans	-110.4	0	178.1	-63.7	-169.8	-179.8	0	0	110.9	V194 K195 T197	V194-M204 CarbonylContact C-O 3.55Å; V194-M204 WeakPolarHBondContact CA-O 3.37Å; K195-M204 PolarHBondContact N-O 3.21Å; K195-M204 PolarHBondContact O-N 3.44Å; T197-M204 HydrophobicContact CG2-CE 3.65Å; T197-M204 HydrophobicContact CG2-CG 4.06Å; T197-M204 HydrophobicContact CG2-SD 4.3Å

Retrieved 204 of 204 residues in 43.7 ms (Link to these results)

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