A0A087X5R2_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X5R2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 146 aa.

						>A0A087X5R2_POEFO|A0A087X5R2
QMEHWLWIILAALFSECKGDSVTQTEREVVAAAGETWTLGCTYESISVTPTLFWYKLEENSFPQYMLKQQTSTTYKAPEFNSSRFDADLNKTKKSFNLKIQDLRPSDSAVYYCALQPTVTGNTRTLYKNLQYSTAATRGPHSLLNH
					

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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	Q	56.8	Low	69.8	Low	232 Å²	232	131.2 Å²	131.2	100%	1.084	63%	0.627	S	S	*	*				0	60.7	0	-166.8	164.1	-17.1	0	0	109.4
2	M	57.1	Low	69.9	Low	127 Å²	127	126.4 Å²	126.4	63%	0.626	63%	0.626	S	S	*	*			trans	-137.1	9.3	177.4	-75.4	-143.1	-59.3	0	0	113.3
3	E	66.6	Low	69.8	Low	124 Å²	124	127.1 Å²	127.1	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-80.2	-25	-175.4	-56.4	-52.3	123.7	0	0	112.8	W5 L6	E3-W5 VanDerWaalsContact C-N 3.34Å; E3-W5 PolarHBondContact O-N 3.3Å; E3-L6 PolarHBondContact O-N 2.95Å
4	H	68.1	Low	69.4	Low	137 Å²	137	128.9 Å²	128.9	63%	0.634	64%	0.635	S	S	*	*	H	α-helix	trans	-69.7	-28.1	-174.6	-66.2	-68.5	0	0	0	113.9	W7 I8	H4-W7 PolarHBondContact O-N 3.23Å; H4-I8 WeakPolarHBondContact O-CG1 3.35Å; H4-I8 PolarHBondContact O-N 2.93Å
5	W	75.1	Confident	69.3	Low	177 Å²	177	126.3 Å²	126.3	67%	0.67	63%	0.634	S	S	*	*	H	α-helix	trans	-75.8	-31.6	-178.7	-58.2	-12.5	0	0	0	111.9	E3 W7 I8 I9	E3-W5 VanDerWaalsContact C-N 3.34Å; E3-W5 PolarHBondContact O-N 3.3Å; W5-W7 VanDerWaalsContact C-N 3.34Å; W5-I8 PolarHBondContact O-N 3.02Å; W5-I9 VanDerWaalsContact O-CG1 3.32Å; W5-I9 WeakPolarHBondContact O-CG1 3.42Å; W5-I9 PolarHBondContact O-N 2.92Å
6	L	75	Confident	69	Low	108 Å²	108	128.7 Å²	128.7	57%	0.565	64%	0.643	S	S	*	*	H	α-helix	trans	-62.6	-40.8	173.1	-79.9	159.1	0	0	0	111.4	E3 I9 L10	E3-L6 PolarHBondContact O-N 2.95Å; L6-I9 PolarHBondContact O-N 2.92Å; L6-L10 VanDerWaalsContact O-CB 3.22Å; L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 2.81Å
7	W	75.9	Confident	68.8	Low	178 Å²	178	128.5 Å²	128.5	67%	0.674	65%	0.654	S	S	*	*	H	α-helix	trans	-66.2	-35.8	175.4	-64.7	105.8	0	0	0	113.2	H4 W5 L10 A11	H4-W7 PolarHBondContact O-N 3.23Å; W5-W7 VanDerWaalsContact C-N 3.34Å; W7-L10 HydrophobicContact CE3-CD2 4.34Å; W7-L10 HydrophobicContact CZ3-CD2 4.4Å; W7-A11 VanDerWaalsContact O-CB 3.28Å; W7-A11 WeakPolarHBondContact O-CB 3.29Å; W7-A11 PolarHBondContact O-N 3.09Å
8	I	75.3	Confident	68.8	Low	113 Å²	113	131.2 Å²	131.2	58%	0.579	66%	0.661	S	S	*	*	H	α-helix	trans	-68.6	-45	176.4	-65.6	168.1	0	0	0	110.7	H4 W5 L10 A11 A12	H4-I8 WeakPolarHBondContact O-CG1 3.35Å; H4-I8 PolarHBondContact O-N 2.93Å; W5-I8 PolarHBondContact O-N 3.02Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-A11 PolarHBondContact O-N 3.39Å; I8-A12 WeakPolarHBondContact O-CB 3.44Å; I8-A12 PolarHBondContact O-N 2.73Å
9	I	74.5	Confident	69.3	Low	103 Å²	103	127.1 Å²	127.1	53%	0.528	66%	0.655	S	S	.	*	H	α-helix	trans	-62.9	-43.6	176.6	-67.3	168.2	0	0	0	110	W5 L6 A12 L13	W5-I9 VanDerWaalsContact O-CG1 3.32Å; W5-I9 WeakPolarHBondContact O-CG1 3.42Å; W5-I9 PolarHBondContact O-N 2.92Å; L6-I9 PolarHBondContact O-N 2.92Å; I9-A12 PolarHBondContact O-N 2.99Å; I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.32Å; I9-L13 PolarHBondContact O-N 2.96Å; I9-L13 VanDerWaalsContact O-N 3.16Å
10	L	70.9	Confident	70.3	Confident	78 Å²	78	124.3 Å²	124.3	41%	0.408	64%	0.641	S	S	.	*	H	α-helix	trans	-62.1	-45.3	177.1	-164.9	67.7	0	0	0	111.6	L6 W7 I8 A12 L13 F14	L6-L10 VanDerWaalsContact O-CB 3.22Å; L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 2.81Å; W7-L10 HydrophobicContact CE3-CD2 4.34Å; W7-L10 HydrophobicContact CZ3-CD2 4.4Å; I8-L10 VanDerWaalsContact C-N 3.34Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.29Å; L10-F14 HydrophobicContact CD1-CD2 4.19Å; L10-F14 HydrophobicContact CD1-CE2 3.42Å; L10-F14 VanDerWaalsContact CD1-CE2 3.42Å; L10-F14 HydrophobicContact CD1-CZ 4.29Å; L10-F14 HydrophobicContact CD2-CE2 4.46Å; L10-F14 HydrophobicContact CG-CD2 3.99Å; L10-F14 HydrophobicContact CG-CE2 3.62Å; L10-F14 WeakPolarHBondContact O-CD2 3.3Å; L10-F14 PolarHBondContact O-N 3.29Å
11	A	72.4	Confident	71.4	Confident	66 Å²	66	121 Å²	121	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-63.6	-37.3	177.9	0	0	0	0	0	113	W7 I8 L13 F14 S15	W7-A11 VanDerWaalsContact O-CB 3.28Å; W7-A11 WeakPolarHBondContact O-CB 3.29Å; W7-A11 PolarHBondContact O-N 3.09Å; I8-A11 PolarHBondContact O-N 3.39Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-F14 PolarHBondContact O-N 3.33Å; A11-S15 PolarHBondContact O-N 2.69Å
12	A	70.7	Confident	73.2	Confident	74 Å²	74	112.4 Å²	112.4	61%	0.612	59%	0.592	S	S	*	*	H	α-helix	trans	-67.6	-32.3	176.8	0	0	0	0	0	112.8	I8 I9 L10 F14	I8-A12 WeakPolarHBondContact O-CB 3.44Å; I8-A12 PolarHBondContact O-N 2.73Å; I9-A12 PolarHBondContact O-N 2.99Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 3.08Å; A12-F14 VanDerWaalsContact C-N 3.33Å
13	L	69.6	Low	75	Confident	135 Å²	135	110.2 Å²	110.2	71%	0.707	59%	0.586	S	S	*	*	H	α-helix	trans	-76	-17.8	178.2	-67.2	170.7	0	0	0	113.5	I9 L10 A11	I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.32Å; I9-L13 PolarHBondContact O-N 2.96Å; I9-L13 VanDerWaalsContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.29Å; A11-L13 VanDerWaalsContact C-N 3.33Å
14	F	64.3	Low	76.4	Confident	153 Å²	153	107.3 Å²	107.3	67%	0.671	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	10.6	179.1	-68.4	-64.1	0	0	0	114.3	L10 A11 A12 E16	L10-F14 HydrophobicContact CD1-CD2 4.19Å; L10-F14 HydrophobicContact CD1-CE2 3.42Å; L10-F14 VanDerWaalsContact CD1-CE2 3.42Å; L10-F14 HydrophobicContact CD1-CZ 4.29Å; L10-F14 HydrophobicContact CD2-CE2 4.46Å; L10-F14 HydrophobicContact CG-CD2 3.99Å; L10-F14 HydrophobicContact CG-CE2 3.62Å; L10-F14 WeakPolarHBondContact O-CD2 3.3Å; L10-F14 PolarHBondContact O-N 3.29Å; A11-F14 PolarHBondContact O-N 3.33Å; A12-F14 VanDerWaalsContact C-N 3.33Å; F14-E16 PolarHBondContact O-N 3.3Å
15	S	67.4	Low	77.4	Confident	90 Å²	90	105.3 Å²	105.3	63%	0.629	57%	0.57	S	S	*	*			trans	-71.9	93.1	177.5	-175.8	0	0	0	0	110.6	A11 C17	A11-S15 PolarHBondContact O-N 2.69Å; S15-C17 PolarHBondContact O-N 3.28Å
16	E	64.8	Low	77.9	Confident	164 Å²	164	99.6 Å²	99.6	77%	0.766	55%	0.551	S	S	*	*			trans	-69.1	112.9	175.8	-146.3	168.6	-137.9	0	0	109.9	F14 K18	F14-E16 PolarHBondContact O-N 3.3Å; E16-K18 PolarHBondContact O-N 3.17Å
17	C	64.8	Low	78.3	Confident	125 Å²	125	106.7 Å²	106.7	85%	0.845	57%	0.57	S	S	*	*			trans	-70.6	100.5	173.2	-78.2	0	0	0	0	109.7	S15 G19	S15-C17 PolarHBondContact O-N 3.28Å; C17-G19 PolarHBondContact O-N 3.14Å
18	K	68.9	Low	78.9	Confident	178 Å²	178	106.4 Å²	106.4	77%	0.774	58%	0.576	S	S	*	*			trans	-76.6	106.1	171.5	-68.6	-170.5	177.7	-175.7	0	110.1	E16	E16-K18 PolarHBondContact O-N 3.17Å
19	G	79.3	Confident	79.6	Confident	53 Å²	53	103.6 Å²	103.6	55%	0.546	56%	0.564	S	S	.	*			trans	-87.2	166	170.1	0	0	0	0	0	112.4	C17	C17-G19 PolarHBondContact O-N 3.14Å
20	D	89.6	Confident	80.5	Confident	71 Å²	71	105.1 Å²	105.1	38%	0.38	58%	0.578	S	S	.	*			trans	-66.6	136.6	171.1	-83	20.5	0	0	0	109.8	E44 S45 L115	D20-E44 CarbonylContact C-O 3.55Å; D20-E44 VanDerWaalsContact CA-O 3.26Å; D20-E44 WeakPolarHBondContact CA-O 3.17Å; D20-S45 VanDerWaalsContact CG-OG 3.22Å; D20-S45 VanDerWaalsContact OD1-CA 3.29Å; D20-S45 WeakPolarHBondContact OD1-CA 2.97Å; D20-S45 PolarHBondContact OD1-OG 2.79Å; D20-S45 VanDerWaalsContact OD1-OG 3.11Å; D20-S45 PolarHBondContact OD2-OG 3.13Å; D20-L115 HydrophobicContact CB-CD2 3.64Å
21	S	91.6	Very high	81.6	Confident	54 Å²	54	103.4 Å²	103.4	38%	0.378	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.3	161.2	-177.7	69.9	0	0	0	0	112.6	Y43 E44	S21-Y43 CarbonylContact O-C 3.49Å; S21-Y43 WeakPolarHBondContact O-CA 3.48Å; S21-Y43 WeakPolarHBondContact O-CB 3.47Å; S21-E44 PolarHBondContact N-O 3.36Å; S21-E44 PolarHBondContact O-N 2.92Å
22	V	95.1	Very high	82.7	Confident	52 Å²	52	102.8 Å²	102.8	32%	0.315	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	143.3	171.5	-65.4	0	0	0	0	109.6	T42 L52 L115	V22-T42 CarbonylContact C-O 3.56Å; V22-T42 VanDerWaalsContact CA-O 3.25Å; V22-T42 WeakPolarHBondContact CA-O 3.1Å; V22-L52 HydrophobicContact CG1-CD1 4.22Å; V22-L115 HydrophobicContact CG1-CB 3.57Å
23	T	95.8	Very high	83.9	Confident	81 Å²	81	103 Å²	103	50%	0.497	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	123.7	175.3	-58	0	0	0	0	109	C41 T42	T23-C41 WeakPolarHBondContact O-CA 3.24Å; T23-T42 PolarHBondContact N-O 3.11Å; T23-T42 PolarHBondContact O-N 3.02Å
24	Q	95.3	Very high	85.2	Confident	64 Å²	64	98.8 Å²	98.8	30%	0.299	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	133	173.6	-67.8	-179.3	-116.5	0	0	109.8	G40 Y111 C113	Q24-G40 WeakPolarHBondContact CA-O 3.33Å; Q24-Y111 PolarHBondContact NE2-O 3.36Å; Q24-C113 HydrophobicContact CG-CB 4.02Å; Q24-C113 VanDerWaalsContact OE1-N 3.13Å
25	T	89.9	Confident	86.8	Confident	94 Å²	94	95.8 Å²	95.8	58%	0.577	55%	0.549	S	S	*	.	S	Bend	trans	-79	-38.5	-172.5	32.4	0	0	0	0	112.7	G40	T25-G40 PolarHBondContact N-O 2.85Å; T25-G40 VanDerWaalsContact OG1-CA 3.28Å; T25-G40 WeakPolarHBondContact OG1-CA 3.22Å
26	E	84.9	Confident	88.2	Confident	58 Å²	58	95 Å²	95	27%	0.271	54%	0.54	S	S	.	.			trans	-92.1	127.6	-177.3	-53.6	71.4	-146.5	0	0	110.8	V29 G40	E26-V29 HydrophobicContact CB-CG2 3.5Å; E26-V29 HydrophobicContact CG-CG2 3.73Å; E26-G40 PolarHBondContact OE2-N 3.08Å
27	R	82.8	Confident	89.7	Confident	257 Å²	257	91.7 Å²	91.7	97%	0.97	52%	0.521	S	S	*	.	S	Bend	trans	-86.6	-43.3	170.7	-80.1	-169.4	-86.8	-115.2	0	112.2
28	E	89.9	Confident	91.2	Very high	172 Å²	172	88.8 Å²	88.8	80%	0.804	50%	0.499	S	S	*	.			trans	-146.9	136.2	-179.9	-172.7	175.7	-179.9	0	0	108.1
29	V	89.9	Confident	92.6	Very high	54 Å²	54	81.2 Å²	81.2	33%	0.327	47%	0.467	S	S	.	.			trans	-134	130.2	-179.8	-179.8	0	0	0	0	107.9	E26 A31 W37 L39	E26-V29 HydrophobicContact CB-CG2 3.5Å; E26-V29 HydrophobicContact CG-CG2 3.73Å; V29-A31 HydrophobicContact CG1-CB 4.38Å; V29-W37 HydrophobicContact CG1-CD2 3.83Å; V29-W37 HydrophobicContact CG1-CE3 4.41Å; V29-W37 HydrophobicContact CG1-CG 4.24Å; V29-W37 HydrophobicContact CG1-CH2 4.24Å; V29-W37 HydrophobicContact CG1-CZ2 3.63Å; V29-W37 HydrophobicContact CG2-CZ2 4.06Å; V29-L39 HydrophobicContact CG2-CD2 4.38Å
30	V	93.1	Very high	93.4	Very high	135 Å²	135	79 Å²	79	82%	0.818	44%	0.444	S	S	*	.			trans	-114.4	122.6	166.8	-177.2	0	0	0	0	106.9
31	A	93.6	Very high	93.8	Very high	41 Å²	41	75.7 Å²	75.7	34%	0.339	43%	0.426	S	S	.	.			trans	-134.7	152	-178.1	0	0	0	0	0	109.8	V29 L103	V29-A31 HydrophobicContact CG1-CB 4.38Å; A31-L103 HydrophobicContact CB-CD1 3.53Å
32	A	95.6	Very high	94	Very high	53 Å²	53	76 Å²	76	44%	0.438	43%	0.426	S	S	.	.			trans	-83	155	-178.4	0	0	0	0	0	111.6	E35	A32-E35 HydrophobicContact CB-CG 4.04Å; A32-E35 PolarHBondContact N-OE2 2.77Å; A32-E35 WeakPolarHBondContact O-CB 3.38Å; A32-E35 PolarHBondContact O-N 2.96Å
33	A	96.9	Very high	94	Very high	79 Å²	79	73.7 Å²	73.7	65%	0.653	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	142.1	174.7	0	0	0	0	0	111.1	E35 L103	A33-E35 PolarHBondContact O-N 2.75Å; A33-L103 CarbonylContact C-O 3.52Å; A33-L103 WeakPolarHBondContact CA-O 3.35Å
34	G	96.6	Very high	93.9	Very high	46 Å²	46	75.4 Å²	75.4	47%	0.474	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-12	-176.5	0	0	0	0	0	114.7	L103	G34-L103 PolarHBondContact N-O 2.78Å
35	E	97.5	Very high	93.7	Very high	90 Å²	90	72.9 Å²	72.9	42%	0.421	40%	0.404	S	S	.	.			trans	-70.1	165.3	176.4	-67.8	-174.7	154.5	0	0	112.3	A32 A33 D102 L103	A32-E35 HydrophobicContact CB-CG 4.04Å; A32-E35 PolarHBondContact N-OE2 2.77Å; A32-E35 WeakPolarHBondContact O-CB 3.38Å; A32-E35 PolarHBondContact O-N 2.96Å; A33-E35 PolarHBondContact O-N 2.75Å; E35-D102 PolarHBondContact O-N 2.93Å; E35-L103 HydrophobicContact CB-CD1 4.22Å; E35-L103 WeakPolarHBondContact O-CG 3.27Å; E35-L103 PolarHBondContact O-N 2.88Å
36	T	97.1	Very high	93.6	Very high	74 Å²	74	75.8 Å²	75.8	45%	0.454	41%	0.414	S	S	.	.			trans	-111	125.2	168.2	-66.3	0	0	0	0	108.8	K99 I100 Q101	T36-K99 HydrophobicContact CG2-CD 4.38Å; T36-K99 VanDerWaalsContact CG2-CE 3.43Å; T36-K99 HydrophobicContact CG2-CG 4Å; T36-I100 CarbonylContact C-O 3.58Å; T36-I100 VanDerWaalsContact CA-O 3.3Å; T36-I100 WeakPolarHBondContact CA-O 3.4Å; T36-Q101 HydrophobicContact CG2-CG 4.01Å
37	W	95.8	Very high	93.7	Very high	95 Å²	95	74.6 Å²	74.6	36%	0.36	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.2	176.8	-165.4	-99.5	0	0	0	111.4	V29 I100 L103	V29-W37 HydrophobicContact CG1-CD2 3.83Å; V29-W37 HydrophobicContact CG1-CE3 4.41Å; V29-W37 HydrophobicContact CG1-CG 4.24Å; V29-W37 HydrophobicContact CG1-CH2 4.24Å; V29-W37 HydrophobicContact CG1-CZ2 3.63Å; V29-W37 HydrophobicContact CG2-CZ2 4.06Å; W37-I100 PolarHBondContact N-O 3.03Å; W37-I100 PolarHBondContact O-N 2.84Å; W37-L103 HydrophobicContact CB-CD1 3.86Å
38	T	96.8	Very high	93.9	Very high	64 Å²	64	68.4 Å²	68.4	39%	0.393	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.6	175	-59.7	0	0	0	0	109	N97 L98	T38-N97 HydrophobicContact CG2-CB 3.71Å; T38-L98 CarbonylContact C-O 3.44Å; T38-L98 WeakPolarHBondContact CA-O 3.4Å
39	L	96.8	Very high	93.9	Very high	19 Å²	19	63.2 Å²	63.2	10%	0.099	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124	172.9	-61.2	171.3	0	0	0	108.8	V29 W54 N97 L98 I100 Y111	V29-L39 HydrophobicContact CG2-CD2 4.38Å; L39-W54 HydrophobicContact CB-CH2 3.89Å; L39-W54 HydrophobicContact CB-CZ2 4.46Å; L39-W54 HydrophobicContact CB-CZ3 4.43Å; L39-N97 CarbonylContact O-C 3.56Å; L39-N97 VanDerWaalsContact O-CA 3.25Å; L39-N97 WeakPolarHBondContact O-CA 3.37Å; L39-N97 WeakPolarHBondContact O-CB 3.47Å; L39-L98 HydrophobicContact CB-CB 4.38Å; L39-L98 HydrophobicContact CD1-CD2 4.21Å; L39-L98 PolarHBondContact N-O 2.82Å; L39-L98 PolarHBondContact O-N 2.69Å; L39-I100 HydrophobicContact CD1-CD1 4.06Å; L39-Y111 HydrophobicContact CD1-CD1 4.15Å; L39-Y111 HydrophobicContact CD1-CD2 3.75Å; L39-Y111 HydrophobicContact CD1-CE2 4.47Å; L39-Y111 HydrophobicContact CD1-CG 3.55Å
40	G	97.1	Very high	94	Very high	6 Å²	6	60.7 Å²	60.7	6%	0.062	37%	0.368	C	S	.	.			trans	-83	137.9	-177.5	0	0	0	0	0	112.1	Q24 T25 E26 N97	Q24-G40 WeakPolarHBondContact CA-O 3.33Å; T25-G40 PolarHBondContact N-O 2.85Å; T25-G40 VanDerWaalsContact OG1-CA 3.28Å; T25-G40 WeakPolarHBondContact OG1-CA 3.22Å; E26-G40 PolarHBondContact OE2-N 3.08Å; G40-N97 WeakPolarHBondContact CA-OD1 3.35Å
41	C	97.3	Very high	94	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	121.6	168.7	176.9	0	0	0	0	109.4	T23 W54 S95 F96 N97 C113	T23-C41 WeakPolarHBondContact O-CA 3.24Å; C41-W54 HydrophobicContact CB-CH2 4.11Å; C41-W54 HydrophobicContact CB-CZ2 3.58Å; C41-S95 CarbonylContact O-C 3.49Å; C41-S95 WeakPolarHBondContact O-CA 3.29Å; C41-S95 WeakPolarHBondContact O-CB 3.13Å; C41-F96 PolarHBondContact O-N 3.22Å; C41-N97 PolarHBondContact N-OD1 2.93Å; C41-N97 PolarHBondContact O-OD1 2.93Å; C41-C113 HydrophobicContact CB-CB 3.53Å; C41-C113 WeakPolarHBondContact CB-SG 3.49Å; C41-C113 WeakPolarHBondContact SG-CB 3.05Å; C41-C113 CovalentContact SG-SG 2.03Å; C41-C113 PolarHBondContact SG-SG 3Å
42	T	97.4	Very high	94.2	Very high	61 Å²	61	52.9 Å²	52.9	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	157.8	165.8	60.4	0	0	0	0	110	V22 T23 K94	V22-T42 CarbonylContact C-O 3.56Å; V22-T42 VanDerWaalsContact CA-O 3.25Å; V22-T42 WeakPolarHBondContact CA-O 3.1Å; T23-T42 PolarHBondContact N-O 3.11Å; T23-T42 PolarHBondContact O-N 3.02Å; T42-K94 CarbonylContact C-O 3.52Å; T42-K94 WeakPolarHBondContact CA-O 3.48Å; T42-K94 WeakPolarHBondContact CB-O 3.25Å
43	Y	94.9	Very high	94.3	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.5	-179.5	72.8	-87.5	0	0	0	111.9	S21 P50 L52 L89 K94 L115	S21-Y43 CarbonylContact O-C 3.49Å; S21-Y43 WeakPolarHBondContact O-CA 3.48Å; S21-Y43 WeakPolarHBondContact O-CB 3.47Å; Y43-P50 HydrophobicContact CE2-CB 3.89Å; Y43-P50 HydrophobicContact CE2-CG 3.65Å; Y43-P50 WeakPolarHBondContact OH-CG 3.44Å; Y43-L52 HydrophobicContact CD1-CD1 4.16Å; Y43-L52 HydrophobicContact CD1-CD2 4.22Å; Y43-L52 HydrophobicContact CD1-CG 4.19Å; Y43-L52 HydrophobicContact CD2-CD2 4.44Å; Y43-L52 HydrophobicContact CE1-CD2 4.2Å; Y43-L52 HydrophobicContact CE1-CG 4.47Å; Y43-L52 HydrophobicContact CE2-CD2 4.42Å; Y43-L52 HydrophobicContact CG-CD1 4.1Å; Y43-L52 HydrophobicContact CG-CD2 4.34Å; Y43-L52 HydrophobicContact CG-CG 4.49Å; Y43-L89 HydrophobicContact CE1-CD1 3.69Å; Y43-K94 VanDerWaalsContact CD1-C 3.42Å; Y43-K94 HydrophobicContact CD1-CB 4.4Å; Y43-K94 WeakPolarHBondContact CD1-O 3.34Å; Y43-K94 HydrophobicContact CD2-CD 4.34Å; Y43-K94 HydrophobicContact CE1-CB 4.22Å; Y43-K94 HydrophobicContact CE1-CD 4.36Å; Y43-K94 HydrophobicContact CE2-CD 3.67Å; Y43-K94 PolarHBondContact N-O 2.8Å; Y43-K94 WeakPolarHBondContact O-CB 3.37Å; Y43-L115 HydrophobicContact CD2-CD1 4.39Å; Y43-L115 HydrophobicContact CD2-CD2 4.3Å
44	E	93.8	Very high	94.3	Very high	117 Å²	117	47.8 Å²	47.8	55%	0.547	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.1	167.4	-68.1	-63.5	163.3	0	0	108.4	D20 S21 L115	D20-E44 CarbonylContact C-O 3.55Å; D20-E44 VanDerWaalsContact CA-O 3.26Å; D20-E44 WeakPolarHBondContact CA-O 3.17Å; S21-E44 PolarHBondContact N-O 3.36Å; S21-E44 PolarHBondContact O-N 2.92Å; E44-L115 WeakPolarHBondContact O-CD2 3.04Å
45	S	90.4	Very high	94.3	Very high	11 Å²	11	48.2 Å²	48.2	8%	0.077	26%	0.257	C	S	.	.			trans	-161.1	141.2	175.8	-173.5	0	0	0	0	110.8	D20 S47 K94	D20-S45 VanDerWaalsContact CG-OG 3.22Å; D20-S45 VanDerWaalsContact OD1-CA 3.29Å; D20-S45 WeakPolarHBondContact OD1-CA 2.97Å; D20-S45 PolarHBondContact OD1-OG 2.79Å; D20-S45 VanDerWaalsContact OD1-OG 3.11Å; D20-S45 PolarHBondContact OD2-OG 3.13Å; S45-S47 VanDerWaalsContact C-N 3.27Å; S45-S47 VanDerWaalsContact OG-CB 3.3Å; S45-S47 WeakPolarHBondContact OG-CB 3.38Å; S45-S47 PolarHBondContact OG-N 3.38Å; S45-K94 PolarHBondContact O-NZ 2.81Å; S45-K94 VanDerWaalsContact O-NZ 3.16Å
46	I	87.4	Confident	94.3	Very high	155 Å²	155	44.5 Å²	44.5	80%	0.795	24%	0.239	S	C	*	.	S	Bend	trans	-79	-13.1	169.9	63.8	170.4	0	0	0	112.2	V48	I46-V48 PolarHBondContact O-N 3Å
47	S	86.7	Confident	94.2	Very high	33 Å²	33	42.8 Å²	42.8	23%	0.231	23%	0.227	C	C	.	.			trans	-65.7	132.9	179	-176.8	0	0	0	0	111.2	S45 T49 P50	S45-S47 VanDerWaalsContact C-N 3.27Å; S45-S47 VanDerWaalsContact OG-CB 3.3Å; S45-S47 WeakPolarHBondContact OG-CB 3.38Å; S45-S47 PolarHBondContact OG-N 3.38Å; S47-T49 VanDerWaalsContact C-N 3.28Å; S47-T49 PolarHBondContact OG-N 3.33Å; S47-T49 PolarHBondContact OG-O 3.22Å; S47-P50 WeakPolarHBondContact O-CD 3.45Å
48	V	87.2	Confident	94.1	Very high	128 Å²	128	41.8 Å²	41.8	78%	0.776	23%	0.227	S	C	*	.	S	Bend	trans	-74.5	-21.9	172.5	-68.2	0	0	0	0	112.4	I46 P50	I46-V48 PolarHBondContact O-N 3Å; V48-P50 VanDerWaalsContact C-CD 3.42Å; V48-P50 WeakPolarHBondContact O-CD 3.25Å
49	T	89.6	Confident	93.8	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.38	25%	0.248	S	C	.	.	S	Bend	trans	-127.7	63.7	179.4	55.9	0	0	0	0	110	S47	S47-T49 VanDerWaalsContact C-N 3.28Å; S47-T49 PolarHBondContact OG-N 3.33Å; S47-T49 PolarHBondContact OG-O 3.22Å
50	P	92.1	Very high	93.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.013	29%	0.287	C	S	.	.			trans	-67.9	137.8	178.1	31.2	-33.5	0	0	0	109.1	Y43 S47 V48 L52 Q70 L115	Y43-P50 HydrophobicContact CE2-CB 3.89Å; Y43-P50 HydrophobicContact CE2-CG 3.65Å; Y43-P50 WeakPolarHBondContact OH-CG 3.44Å; S47-P50 WeakPolarHBondContact O-CD 3.45Å; V48-P50 VanDerWaalsContact C-CD 3.42Å; V48-P50 WeakPolarHBondContact O-CD 3.25Å; P50-L52 HydrophobicContact CB-CD2 3.78Å; P50-L52 HydrophobicContact CG-CD2 4.23Å; P50-Q70 WeakPolarHBondContact O-CA 3.34Å; P50-L115 HydrophobicContact CB-CD1 3.62Å
51	T	94.5	Very high	93.1	Very high	12 Å²	12	56.8 Å²	56.8	7%	0.074	30%	0.301	C	S	.	.			trans	-104.3	118.2	172.8	-53.2	0	0	0	0	108.5	F53 K68 Q69 Q70 Q116	T51-F53 HydrophobicContact CG2-CD2 4.31Å; T51-F53 HydrophobicContact CG2-CE1 4.37Å; T51-F53 HydrophobicContact CG2-CE2 3.46Å; T51-F53 VanDerWaalsContact CG2-CE2 3.46Å; T51-F53 HydrophobicContact CG2-CZ 3.5Å; T51-F53 VanDerWaalsContact CG2-CZ 3.5Å; T51-F53 WeakPolarHBondContact O-CE2 3.29Å; T51-K68 HydrophobicContact CG2-CB 4.44Å; T51-K68 HydrophobicContact CG2-CD 4.36Å; T51-Q69 WeakPolarHBondContact CA-O 3.3Å; T51-Q70 HydrophobicContact CG2-CB 4.12Å; T51-Q70 WeakPolarHBondContact OG1-CB 3.44Å; T51-Q70 VanDerWaalsContact OG1-CG 3.23Å; T51-Q70 WeakPolarHBondContact OG1-CG 3.39Å; T51-Q70 PolarHBondContact OG1-OE1 3.26Å; T51-Q70 VanDerWaalsContact OG1-OE1 3.05Å; T51-Q116 PolarHBondContact O-N 2.91Å
52	L	96.6	Very high	92.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.7	179.7	-75.1	-69.7	0	0	0	109.8	V22 Y43 P50 K68 Q69 L89 F96 A114 L115	V22-L52 HydrophobicContact CG1-CD1 4.22Å; Y43-L52 HydrophobicContact CD1-CD1 4.16Å; Y43-L52 HydrophobicContact CD1-CD2 4.22Å; Y43-L52 HydrophobicContact CD1-CG 4.19Å; Y43-L52 HydrophobicContact CD2-CD2 4.44Å; Y43-L52 HydrophobicContact CE1-CD2 4.2Å; Y43-L52 HydrophobicContact CE1-CG 4.47Å; Y43-L52 HydrophobicContact CE2-CD2 4.42Å; Y43-L52 HydrophobicContact CG-CD1 4.1Å; Y43-L52 HydrophobicContact CG-CD2 4.34Å; Y43-L52 HydrophobicContact CG-CG 4.49Å; P50-L52 HydrophobicContact CB-CD2 3.78Å; P50-L52 HydrophobicContact CG-CD2 4.23Å; L52-K68 CarbonylContact O-C 3.5Å; L52-K68 WeakPolarHBondContact O-CA 3.21Å; L52-K68 WeakPolarHBondContact O-CB 3.1Å; L52-Q69 PolarHBondContact N-O 2.84Å; L52-Q69 PolarHBondContact O-N 2.87Å; L52-L89 HydrophobicContact CB-CD1 4.44Å; L52-L89 HydrophobicContact CD2-CD1 3.72Å; L52-L89 HydrophobicContact CG-CD1 3.96Å; L52-F96 HydrophobicContact CB-CB 3.93Å; L52-F96 HydrophobicContact CB-CD1 3.31Å; L52-F96 HydrophobicContact CB-CD2 4.2Å; L52-F96 HydrophobicContact CB-CE1 3.7Å; L52-F96 HydrophobicContact CB-CG 3.55Å; L52-F96 HydrophobicContact CB-CZ 4.32Å; L52-F96 HydrophobicContact CD1-CB 4.5Å; L52-F96 HydrophobicContact CG-CB 3.9Å; L52-F96 HydrophobicContact CG-CD1 4.2Å; L52-F96 HydrophobicContact CG-CG 4.1Å; L52-A114 CarbonylContact C-O 3.49Å; L52-A114 WeakPolarHBondContact CA-O 3.41Å; L52-L115 HydrophobicContact CD1-CB 3.83Å; L52-L115 HydrophobicContact CD1-CD1 3.96Å; L52-L115 HydrophobicContact CD1-CG 4.48Å; L52-L115 HydrophobicContact CD2-CD1 3.6Å; L52-L115 HydrophobicContact CG-CD1 4.42Å
53	F	97.1	Very high	92.6	Very high	25 Å²	25	63.5 Å²	63.5	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.7	-174	-59.5	-103.7	0	0	0	110.2	T51 Y55 Y65 L67 K68 C113 A114	T51-F53 HydrophobicContact CG2-CD2 4.31Å; T51-F53 HydrophobicContact CG2-CE1 4.37Å; T51-F53 HydrophobicContact CG2-CE2 3.46Å; T51-F53 VanDerWaalsContact CG2-CE2 3.46Å; T51-F53 HydrophobicContact CG2-CZ 3.5Å; T51-F53 VanDerWaalsContact CG2-CZ 3.5Å; T51-F53 WeakPolarHBondContact O-CE2 3.29Å; F53-Y55 HydrophobicContact CB-CD2 4.22Å; F53-Y55 HydrophobicContact CB-CE2 3.54Å; F53-Y55 HydrophobicContact CG-CE2 4.23Å; F53-Y65 HydrophobicContact CD1-CD2 4.25Å; F53-Y65 AromaticContact CD1-CE2 3.88Å; F53-Y65 HydrophobicContact CD1-CE2 3.88Å; F53-Y65 HydrophobicContact CE1-CE2 4.44Å; F53-L67 WeakPolarHBondContact CA-O 3.3Å; F53-K68 HydrophobicContact CD1-CB 3.58Å; F53-K68 HydrophobicContact CD1-CD 4.12Å; F53-K68 HydrophobicContact CD1-CG 4.47Å; F53-K68 HydrophobicContact CE1-CB 3.79Å; F53-K68 HydrophobicContact CE1-CD 3.48Å; F53-K68 VanDerWaalsContact CE1-CD 3.48Å; F53-K68 HydrophobicContact CE1-CG 4.26Å; F53-K68 HydrophobicContact CG-CB 4.07Å; F53-K68 HydrophobicContact CZ-CB 4.44Å; F53-K68 HydrophobicContact CZ-CD 4.08Å; F53-C113 WeakPolarHBondContact O-CA 3.28Å; F53-A114 HydrophobicContact CB-CB 4.36Å; F53-A114 PolarHBondContact N-O 3.48Å; F53-A114 PolarHBondContact O-N 3.25Å
54	W	97.9	Very high	92.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.2	162.2	-81.7	101.3	0	0	0	110.4	L39 C41 M66 L67 F96 L98 Y112 C113	L39-W54 HydrophobicContact CB-CH2 3.89Å; L39-W54 HydrophobicContact CB-CZ2 4.46Å; L39-W54 HydrophobicContact CB-CZ3 4.43Å; C41-W54 HydrophobicContact CB-CH2 4.11Å; C41-W54 HydrophobicContact CB-CZ2 3.58Å; W54-M66 HydrophobicContact CB-CB 4.3Å; W54-M66 HydrophobicContact CB-SD 4.24Å; W54-M66 WeakPolarHBondContact O-CB 3.38Å; W54-M66 PolarHBondContact O-N 2.93Å; W54-L67 HydrophobicContact CB-CD1 4.08Å; W54-L67 HydrophobicContact CB-CG 4.32Å; W54-L67 HydrophobicContact CG-CD1 4.34Å; W54-L67 PolarHBondContact N-O 3.01Å; W54-F96 AromaticContact CD1-CD1 3.45Å; W54-F96 VanDerWaalsContact CD1-CD1 3.45Å; W54-F96 AromaticContact CD1-CE1 3.24Å; W54-F96 HydrophobicContact CG-CE1 4.28Å; W54-F96 WeakPolarHBondContact CZ2-O 3.47Å; W54-F96 AromaticContact NE1-CD1 3.35Å; W54-F96 AromaticContact NE1-CE1 3.68Å; W54-F96 PolarHBondContact NE1-O 3.05Å; W54-L98 HydrophobicContact CB-CD2 4.31Å; W54-L98 HydrophobicContact CD2-CB 3.64Å; W54-L98 HydrophobicContact CD2-CD2 3.84Å; W54-L98 HydrophobicContact CD2-CG 4.29Å; W54-L98 HydrophobicContact CE3-CB 4.21Å; W54-L98 HydrophobicContact CE3-CD2 3.86Å; W54-L98 HydrophobicContact CG-CB 3.96Å; W54-L98 HydrophobicContact CG-CD1 4.38Å; W54-L98 HydrophobicContact CG-CD2 4.03Å; W54-L98 HydrophobicContact CG-CG 4.36Å; W54-L98 HydrophobicContact CH2-CB 4.25Å; W54-L98 HydrophobicContact CZ2-CB 3.69Å; W54-L98 HydrophobicContact CZ3-CB 4.49Å; W54-L98 HydrophobicContact CZ3-CD2 4.45Å; W54-Y112 CarbonylContact C-O 3.59Å; W54-Y112 WeakPolarHBondContact CA-O 3.22Å; W54-Y112 VanDerWaalsContact CE3-C 3.49Å; W54-C113 HydrophobicContact CD2-CB 4.29Å; W54-C113 HydrophobicContact CE3-CB 4.21Å; W54-C113 HydrophobicContact CH2-CB 3.82Å; W54-C113 HydrophobicContact CZ2-CB 3.88Å; W54-C113 HydrophobicContact CZ3-CB 3.97Å
55	Y	97.2	Very high	92.7	Very high	55 Å²	55	63.1 Å²	63.1	22%	0.216	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.6	173.3	-62.8	-92.7	0	0	0	110.5	F53 P63 Q64 Y65 Y111 Y112 A114	F53-Y55 HydrophobicContact CB-CD2 4.22Å; F53-Y55 HydrophobicContact CB-CE2 3.54Å; F53-Y55 HydrophobicContact CG-CE2 4.23Å; Y55-P63 HydrophobicContact CD1-CB 4.06Å; Y55-P63 HydrophobicContact CG-CB 4.22Å; Y55-Q64 CarbonylContact C-O 3.53Å; Y55-Q64 WeakPolarHBondContact CA-O 3.46Å; Y55-Y65 HydrophobicContact CE1-CD2 4.23Å; Y55-Y111 CarbonylContact O-C 3.54Å; Y55-Y111 WeakPolarHBondContact O-CA 3.48Å; Y55-Y112 PolarHBondContact N-O 3.38Å; Y55-Y112 PolarHBondContact O-N 3.35Å; Y55-A114 HydrophobicContact CD2-CB 4.47Å; Y55-A114 HydrophobicContact CE2-CB 4.11Å
56	K	96.8	Very high	93	Very high	11 Å²	11	62.6 Å²	62.6	5%	0.048	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.9	169.3	-171.3	-172.5	-178.5	-157.2	0	108.8	E58 Q64 M66 F80 S106 A109 Y111	K56-E58 HydrophobicContact CD-CG 4.47Å; K56-E58 IonicContact NZ-OE1 3.83Å; K56-E58 PolarHBondContact NZ-OE1 2.89Å; K56-Q64 PolarHBondContact N-O 2.75Å; K56-Q64 WeakPolarHBondContact O-CB 3.43Å; K56-Q64 PolarHBondContact O-N 2.9Å; K56-M66 HydrophobicContact CB-CG 3.95Å; K56-M66 HydrophobicContact CB-SD 3.78Å; K56-F80 HydrophobicContact CB-CE1 4.46Å; K56-F80 HydrophobicContact CB-CZ 4Å; K56-F80 HydrophobicContact CD-CE1 4Å; K56-F80 HydrophobicContact CD-CZ 3.98Å; K56-S106 PolarHBondContact NZ-O 2.86Å; K56-A109 HydrophobicContact CD-CB 4.22Å; K56-A109 VanDerWaalsContact CE-CB 3.48Å; K56-A109 HydrophobicContact CG-CB 3.66Å; K56-Y111 HydrophobicContact CB-CD1 4.4Å; K56-Y111 HydrophobicContact CB-CE1 4.15Å; K56-Y111 HydrophobicContact CD-CE1 4.39Å; K56-Y111 HydrophobicContact CG-CD1 4.43Å; K56-Y111 HydrophobicContact CG-CE1 3.9Å
57	L	95.3	Very high	93.5	Very high	39 Å²	39	55.2 Å²	55.2	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109.3	174.9	178	67.5	0	0	0	109.6	S61 F62 P63 A109 V110 Y112	L57-S61 WeakPolarHBondContact CD1-O 3.44Å; L57-F62 VanDerWaalsContact CD1-C 3.44Å; L57-P63 HydrophobicContact CD1-CG 4.23Å; L57-A109 WeakPolarHBondContact O-CB 3.23Å; L57-V110 HydrophobicContact CB-CB 4.28Å; L57-V110 PolarHBondContact N-O 3.25Å; L57-V110 PolarHBondContact O-N 3.16Å; L57-Y112 HydrophobicContact CB-CD2 4.17Å; L57-Y112 HydrophobicContact CB-CE2 3.98Å; L57-Y112 HydrophobicContact CD2-CE2 3.65Å; L57-Y112 HydrophobicContact CG-CE2 4.45Å
58	E	94.1	Very high	94	Very high	74 Å²	74	57.2 Å²	57.2	35%	0.346	29%	0.292	S	S	.	.			trans	-83.8	157.6	172	-65.5	173.6	167	0	0	110.6	K56 N60 S61 Q64 A109	K56-E58 HydrophobicContact CD-CG 4.47Å; K56-E58 IonicContact NZ-OE1 3.83Å; K56-E58 PolarHBondContact NZ-OE1 2.89Å; E58-N60 PolarHBondContact O-N 3.41Å; E58-S61 VanDerWaalsContact O-CB 3.29Å; E58-S61 WeakPolarHBondContact O-CB 3.47Å; E58-S61 PolarHBondContact O-N 3.26Å; E58-S61 VanDerWaalsContact O-N 3.08Å; E58-Q64 PolarHBondContact OE2-NE2 3.31Å; E58-Q64 VanDerWaalsContact OE2-NE2 3.17Å; E58-A109 HydrophobicContact CG-CB 4.38Å
59	E	90.4	Very high	94.4	Very high	181 Å²	181	51.3 Å²	51.3	85%	0.846	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	134.3	178.9	-68.5	-175.7	-175.5	0	0	111.5	S61	E59-S61 PolarHBondContact O-N 3.02Å; E59-S61 VanDerWaalsContact O-N 3.09Å
60	N	88.1	Confident	94.5	Very high	172 Å²	172	52 Å²	52	92%	0.92	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	20.7	-179	-54	-57.9	0	0	0	114.9	E58	E58-N60 PolarHBondContact O-N 3.41Å
61	S	91.3	Very high	94.2	Very high	50 Å²	50	55.2 Å²	55.2	35%	0.35	27%	0.274	S	S	.	.	S	Bend	trans	-111.1	-174	179.7	-160.8	0	0	0	0	112.2	L57 E58 E59	L57-S61 WeakPolarHBondContact CD1-O 3.44Å; E58-S61 VanDerWaalsContact O-CB 3.29Å; E58-S61 WeakPolarHBondContact O-CB 3.47Å; E58-S61 PolarHBondContact O-N 3.26Å; E58-S61 VanDerWaalsContact O-N 3.08Å; E59-S61 PolarHBondContact O-N 3.02Å; E59-S61 VanDerWaalsContact O-N 3.09Å
62	F	89.8	Confident	93.9	Very high	134 Å²	134	59.9 Å²	59.9	59%	0.588	31%	0.307	S	S	*	.			trans	-107.4	158.1	169.8	57.6	-88.9	0	0	0	110.1	L57 Q64	L57-F62 VanDerWaalsContact CD1-C 3.44Å; F62-Q64 PolarHBondContact O-N 2.93Å; F62-Q64 VanDerWaalsContact O-N 3.11Å
63	P	93	Very high	93.7	Very high	70 Å²	70	63.1 Å²	63.1	46%	0.455	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59	118.8	177.5	-24.5	34.4	0	0	0	111.2	Y55 L57	Y55-P63 HydrophobicContact CD1-CB 4.06Å; Y55-P63 HydrophobicContact CG-CB 4.22Å; L57-P63 HydrophobicContact CD1-CG 4.23Å
64	Q	95.6	Very high	93.6	Very high	45 Å²	45	63.9 Å²	63.9	21%	0.21	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.9	176.7	-60.4	177.5	36.4	0	0	108.9	Y55 K56 E58 F62 M66	Y55-Q64 CarbonylContact C-O 3.53Å; Y55-Q64 WeakPolarHBondContact CA-O 3.46Å; K56-Q64 PolarHBondContact N-O 2.75Å; K56-Q64 WeakPolarHBondContact O-CB 3.43Å; K56-Q64 PolarHBondContact O-N 2.9Å; E58-Q64 PolarHBondContact OE2-NE2 3.31Å; E58-Q64 VanDerWaalsContact OE2-NE2 3.17Å; F62-Q64 PolarHBondContact O-N 2.93Å; F62-Q64 VanDerWaalsContact O-N 3.11Å; Q64-M66 PolarHBondContact O-N 2.65Å
65	Y	95.6	Very high	93.4	Very high	67 Å²	67	69.7 Å²	69.7	26%	0.263	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.6	179.4	167.3	-106.7	0	0	0	110.3	F53 Y55 K68 Y75 A77	F53-Y65 HydrophobicContact CD1-CD2 4.25Å; F53-Y65 AromaticContact CD1-CE2 3.88Å; F53-Y65 HydrophobicContact CD1-CE2 3.88Å; F53-Y65 HydrophobicContact CE1-CE2 4.44Å; Y55-Y65 HydrophobicContact CE1-CD2 4.23Å; Y65-K68 HydrophobicContact CE2-CB 4.04Å; Y65-K68 HydrophobicContact CE2-CD 4.37Å; Y65-K68 HydrophobicContact CE2-CG 4.38Å; Y65-K68 VanDerWaalsContact OH-CG 3.29Å; Y65-K68 WeakPolarHBondContact OH-CG 3.26Å; Y65-K68 PolarHBondContact OH-N 2.82Å; Y65-Y75 PolarHBondContact OH-O 2.95Å; Y65-A77 HydrophobicContact CD1-CB 3.68Å; Y65-A77 HydrophobicContact CE1-CB 3.97Å; Y65-A77 VanDerWaalsContact O-CB 3.24Å; Y65-A77 WeakPolarHBondContact O-CB 3.41Å
66	M	97.3	Very high	93.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-61.3	177.8	-58.4	176.9	68.1	0	0	111.9	W54 K56 Q64 K76 A77 F80 F85 L98 Y111	W54-M66 HydrophobicContact CB-CB 4.3Å; W54-M66 HydrophobicContact CB-SD 4.24Å; W54-M66 WeakPolarHBondContact O-CB 3.38Å; W54-M66 PolarHBondContact O-N 2.93Å; K56-M66 HydrophobicContact CB-CG 3.95Å; K56-M66 HydrophobicContact CB-SD 3.78Å; Q64-M66 PolarHBondContact O-N 2.65Å; M66-K76 WeakPolarHBondContact O-CA 3.39Å; M66-A77 PolarHBondContact O-N 2.59Å; M66-F80 VanDerWaalsContact CA-CD2 3.44Å; M66-F80 HydrophobicContact CB-CB 4.49Å; M66-F80 HydrophobicContact CB-CD1 4.42Å; M66-F80 HydrophobicContact CB-CD2 3.9Å; M66-F80 HydrophobicContact CB-CE2 4.22Å; M66-F80 HydrophobicContact CB-CG 4.01Å; M66-F80 HydrophobicContact CE-CD1 3.75Å; M66-F80 HydrophobicContact CE-CE1 3.88Å; M66-F80 HydrophobicContact CE-CG 4.38Å; M66-F80 HydrophobicContact CG-CD1 4.13Å; M66-F80 HydrophobicContact CG-CD2 3.89Å; M66-F80 HydrophobicContact CG-CE1 3.97Å; M66-F80 HydrophobicContact CG-CE2 3.72Å; M66-F80 HydrophobicContact CG-CG 4.1Å; M66-F80 HydrophobicContact CG-CZ 3.77Å; M66-F80 HydrophobicContact SD-CE1 4.5Å; M66-F85 HydrophobicContact CE-CB 4.42Å; M66-F85 HydrophobicContact CE-CD1 3.76Å; M66-F85 HydrophobicContact CE-CE1 4.3Å; M66-F85 HydrophobicContact CE-CG 4.2Å; M66-L98 HydrophobicContact CE-CD1 4.28Å; M66-L98 HydrophobicContact CE-CD2 3.85Å; M66-L98 HydrophobicContact SD-CD2 4Å; M66-Y111 HydrophobicContact CE-CD1 4.25Å; M66-Y111 HydrophobicContact CE-CE1 3.78Å; M66-Y111 HydrophobicContact SD-CD1 3.67Å; M66-Y111 HydrophobicContact SD-CE1 3.7Å
67	L	97.5	Very high	93.4	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	161	-174.3	56.9	78.7	0	0	0	111.4	F53 W54 T74 Y75 K76 A87 F96 L98	F53-L67 WeakPolarHBondContact CA-O 3.3Å; W54-L67 HydrophobicContact CB-CD1 4.08Å; W54-L67 HydrophobicContact CB-CG 4.32Å; W54-L67 HydrophobicContact CG-CD1 4.34Å; W54-L67 PolarHBondContact N-O 3.01Å; L67-T74 HydrophobicContact CB-CG2 4.37Å; L67-Y75 CarbonylContact C-O 3.53Å; L67-Y75 WeakPolarHBondContact CA-O 3.17Å; L67-Y75 WeakPolarHBondContact CB-O 3.4Å; L67-K76 HydrophobicContact CB-CB 4.43Å; L67-K76 HydrophobicContact CB-CG 3.96Å; L67-K76 HydrophobicContact CD2-CG 4.47Å; L67-A87 HydrophobicContact CD1-CB 3.59Å; L67-A87 HydrophobicContact CD2-CB 4.29Å; L67-F96 HydrophobicContact CD1-CE1 3.88Å; L67-F96 HydrophobicContact CD1-CZ 3.52Å; L67-L98 HydrophobicContact CD2-CD1 4.11Å
68	K	96.6	Very high	93.5	Very high	75 Å²	75	73 Å²	73	33%	0.326	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.4	170.7	75.6	-169.1	179.5	178.4	0	112.1	T51 L52 F53 Y65 Y75	T51-K68 HydrophobicContact CG2-CB 4.44Å; T51-K68 HydrophobicContact CG2-CD 4.36Å; L52-K68 CarbonylContact O-C 3.5Å; L52-K68 WeakPolarHBondContact O-CA 3.21Å; L52-K68 WeakPolarHBondContact O-CB 3.1Å; F53-K68 HydrophobicContact CD1-CB 3.58Å; F53-K68 HydrophobicContact CD1-CD 4.12Å; F53-K68 HydrophobicContact CD1-CG 4.47Å; F53-K68 HydrophobicContact CE1-CB 3.79Å; F53-K68 HydrophobicContact CE1-CD 3.48Å; F53-K68 VanDerWaalsContact CE1-CD 3.48Å; F53-K68 HydrophobicContact CE1-CG 4.26Å; F53-K68 HydrophobicContact CG-CB 4.07Å; F53-K68 HydrophobicContact CZ-CB 4.44Å; F53-K68 HydrophobicContact CZ-CD 4.08Å; Y65-K68 HydrophobicContact CE2-CB 4.04Å; Y65-K68 HydrophobicContact CE2-CD 4.37Å; Y65-K68 HydrophobicContact CE2-CG 4.38Å; Y65-K68 VanDerWaalsContact OH-CG 3.29Å; Y65-K68 WeakPolarHBondContact OH-CG 3.26Å; Y65-K68 PolarHBondContact OH-N 2.82Å; K68-Y75 HydrophobicContact CG-CD2 4.19Å; K68-Y75 PolarHBondContact N-O 3.2Å; K68-Y75 PolarHBondContact O-N 2.85Å
69	Q	95.9	Very high	93.5	Very high	4 Å²	4	74.8 Å²	74.8	2%	0.019	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.9	171.6	-168.3	171.2	19.5	0	0	110.6	T51 L52 T71 S72 A87 L89 F96	T51-Q69 WeakPolarHBondContact CA-O 3.3Å; L52-Q69 PolarHBondContact N-O 2.84Å; L52-Q69 PolarHBondContact O-N 2.87Å; Q69-T71 WeakPolarHBondContact CG-O 3.48Å; Q69-T71 PolarHBondContact NE2-O 2.85Å; Q69-T71 VanDerWaalsContact NE2-O 3.13Å; Q69-S72 PolarHBondContact NE2-O 2.89Å; Q69-A87 PolarHBondContact OE1-O 2.91Å; Q69-L89 HydrophobicContact CB-CB 4.12Å; Q69-L89 HydrophobicContact CG-CB 3.86Å; Q69-L89 HydrophobicContact CG-CD2 4.49Å; Q69-F96 HydrophobicContact CB-CE2 3.59Å; Q69-F96 HydrophobicContact CB-CZ 3.92Å
70	Q	92	Very high	93.8	Very high	77 Å²	77	66.7 Å²	66.7	36%	0.36	35%	0.354	S	S	.	.	S	Bend	trans	-131.6	-38.2	177.5	-177.6	-178.7	-19.2	0	0	111.2	P50 T51 K91	P50-Q70 WeakPolarHBondContact O-CA 3.34Å; T51-Q70 HydrophobicContact CG2-CB 4.12Å; T51-Q70 WeakPolarHBondContact OG1-CB 3.44Å; T51-Q70 VanDerWaalsContact OG1-CG 3.23Å; T51-Q70 WeakPolarHBondContact OG1-CG 3.39Å; T51-Q70 PolarHBondContact OG1-OE1 3.26Å; T51-Q70 VanDerWaalsContact OG1-OE1 3.05Å; Q70-K91 WeakPolarHBondContact O-CE 3.2Å; Q70-K91 PolarHBondContact O-NZ 2.83Å; Q70-K91 VanDerWaalsContact O-NZ 3.09Å
71	T	86.6	Confident	94	Very high	68 Å²	68	64.3 Å²	64.3	42%	0.417	34%	0.341	S	S	.	.	S	Bend	trans	-118.9	-154.1	175.7	62.6	0	0	0	0	108.9	Q69 T73	Q69-T71 WeakPolarHBondContact CG-O 3.48Å; Q69-T71 PolarHBondContact NE2-O 2.85Å; Q69-T71 VanDerWaalsContact NE2-O 3.13Å; T71-T73 PolarHBondContact O-N 2.8Å
72	S	87.5	Confident	94.1	Very high	111 Å²	111	64.1 Å²	64.1	78%	0.776	34%	0.339	S	S	*	.	S	Bend	trans	-69.7	-12.8	175.2	49.5	0	0	0	0	114	Q69	Q69-S72 PolarHBondContact NE2-O 2.89Å
73	T	91.4	Very high	94.3	Very high	67 Å²	67	62.3 Å²	62.3	41%	0.411	34%	0.344	S	S	.	.			trans	-94.8	125.7	-177.4	-50.8	0	0	0	0	112	T71 Y75	T71-T73 PolarHBondContact O-N 2.8Å; T73-Y75 HydrophobicContact CG2-CE1 4.14Å; T73-Y75 HydrophobicContact CG2-CE2 4.14Å
74	T	94.8	Very high	94.5	Very high	42 Å²	42	60.2 Å²	60.2	26%	0.258	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.5	172.4	-58	0	0	0	0	110.3	L67 K76	L67-T74 HydrophobicContact CB-CG2 4.37Å; T74-K76 HydrophobicContact CG2-CG 4.12Å
75	Y	95.3	Very high	94.6	Very high	122 Å²	122	58.7 Å²	58.7	48%	0.478	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.4	176.1	-57.2	-89.5	0	0	0	108.9	Y65 L67 K68 T73	Y65-Y75 PolarHBondContact OH-O 2.95Å; L67-Y75 CarbonylContact C-O 3.53Å; L67-Y75 WeakPolarHBondContact CA-O 3.17Å; L67-Y75 WeakPolarHBondContact CB-O 3.4Å; K68-Y75 HydrophobicContact CG-CD2 4.19Å; K68-Y75 PolarHBondContact N-O 3.2Å; K68-Y75 PolarHBondContact O-N 2.85Å; T73-Y75 HydrophobicContact CG2-CE1 4.14Å; T73-Y75 HydrophobicContact CG2-CE2 4.14Å
76	K	97.4	Very high	94.6	Very high	54 Å²	54	58.9 Å²	58.9	24%	0.235	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.9	-180	-56	-172.1	-179.8	179.3	0	110.5	M66 L67 T74 F85 D86	M66-K76 WeakPolarHBondContact O-CA 3.39Å; L67-K76 HydrophobicContact CB-CB 4.43Å; L67-K76 HydrophobicContact CB-CG 3.96Å; L67-K76 HydrophobicContact CD2-CG 4.47Å; T74-K76 HydrophobicContact CG2-CG 4.12Å; K76-F85 WeakPolarHBondContact CE-O 3.49Å; K76-F85 PolarHBondContact NZ-O 2.81Å; K76-D86 WeakPolarHBondContact CE-OD1 3.28Å; K76-D86 IonicContact NZ-OD1 3.33Å; K76-D86 PolarHBondContact NZ-OD1 3.05Å
77	A	96.8	Very high	94.6	Very high	7 Å²	7	59 Å²	59	6%	0.058	33%	0.326	C	S	.	.			trans	-71.1	153.1	167.9	0	0	0	0	0	110.3	Y65 M66 E79 F80 N81	Y65-A77 HydrophobicContact CD1-CB 3.68Å; Y65-A77 HydrophobicContact CE1-CB 3.97Å; Y65-A77 VanDerWaalsContact O-CB 3.24Å; Y65-A77 WeakPolarHBondContact O-CB 3.41Å; M66-A77 PolarHBondContact O-N 2.59Å; A77-E79 VanDerWaalsContact C-N 3.27Å; A77-E79 VanDerWaalsContact CB-CD 3.43Å; A77-E79 WeakPolarHBondContact CB-OE1 3.34Å; A77-E79 WeakPolarHBondContact CB-OE2 3.3Å; A77-E79 PolarHBondContact O-N 2.79Å; A77-F80 HydrophobicContact CB-CD2 4.14Å; A77-F80 CarbonylContact O-C 3.6Å; A77-F80 PolarHBondContact O-N 3.33Å; A77-N81 PolarHBondContact O-N 2.81Å
78	P	96.4	Very high	94.4	Very high	114 Å²	114	64 Å²	64	74%	0.74	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.1	-42.3	-177	-28.1	35.7	0	0	0	114.1	F80 N81	P78-F80 VanDerWaalsContact C-N 3.27Å; P78-F80 PolarHBondContact O-N 2.82Å; P78-N81 WeakPolarHBondContact O-CB 3.29Å; P78-N81 PolarHBondContact O-N 3.46Å
79	E	94.6	Very high	94.4	Very high	111 Å²	111	61.2 Å²	61.2	52%	0.519	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-70.6	-20.6	-179	69.7	-75.1	179.9	0	0	113.5	A77	A77-E79 VanDerWaalsContact C-N 3.27Å; A77-E79 VanDerWaalsContact CB-CD 3.43Å; A77-E79 WeakPolarHBondContact CB-OE1 3.34Å; A77-E79 WeakPolarHBondContact CB-OE2 3.3Å; A77-E79 PolarHBondContact O-N 2.79Å
80	F	95.7	Very high	94.4	Very high	10 Å²	10	63.3 Å²	63.3	4%	0.044	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-108.4	11.3	175.7	-60.3	-75.6	0	0	0	112.8	K56 M66 A77 P78 S82 F85	K56-F80 HydrophobicContact CB-CE1 4.46Å; K56-F80 HydrophobicContact CB-CZ 4Å; K56-F80 HydrophobicContact CD-CE1 4Å; K56-F80 HydrophobicContact CD-CZ 3.98Å; M66-F80 VanDerWaalsContact CA-CD2 3.44Å; M66-F80 HydrophobicContact CB-CB 4.49Å; M66-F80 HydrophobicContact CB-CD1 4.42Å; M66-F80 HydrophobicContact CB-CD2 3.9Å; M66-F80 HydrophobicContact CB-CE2 4.22Å; M66-F80 HydrophobicContact CB-CG 4.01Å; M66-F80 HydrophobicContact CE-CD1 3.75Å; M66-F80 HydrophobicContact CE-CE1 3.88Å; M66-F80 HydrophobicContact CE-CG 4.38Å; M66-F80 HydrophobicContact CG-CD1 4.13Å; M66-F80 HydrophobicContact CG-CD2 3.89Å; M66-F80 HydrophobicContact CG-CE1 3.97Å; M66-F80 HydrophobicContact CG-CE2 3.72Å; M66-F80 HydrophobicContact CG-CG 4.1Å; M66-F80 HydrophobicContact CG-CZ 3.77Å; M66-F80 HydrophobicContact SD-CE1 4.5Å; A77-F80 HydrophobicContact CB-CD2 4.14Å; A77-F80 CarbonylContact O-C 3.6Å; A77-F80 PolarHBondContact O-N 3.33Å; P78-F80 VanDerWaalsContact C-N 3.27Å; P78-F80 PolarHBondContact O-N 2.82Å; F80-S82 PolarHBondContact O-N 2.93Å; F80-F85 HydrophobicContact CB-CD2 4.44Å; F80-F85 AromaticContact CD1-CD2 3.93Å; F80-F85 HydrophobicContact CD1-CD2 3.93Å; F80-F85 HydrophobicContact CD1-CE2 4.01Å; F80-F85 HydrophobicContact CD1-CG 4.22Å; F80-F85 HydrophobicContact CD1-CZ 4.36Å
81	N	92.5	Very high	94.4	Very high	123 Å²	123	63.6 Å²	63.6	66%	0.658	35%	0.353	S	S	*	.			trans	-78.8	37.8	-177.6	-164.3	19.1	0	0	0	113.6	A77 P78	A77-N81 PolarHBondContact O-N 2.81Å; P78-N81 WeakPolarHBondContact O-CB 3.29Å; P78-N81 PolarHBondContact O-N 3.46Å
82	S	93	Very high	94.8	Very high	45 Å²	45	66.7 Å²	66.7	32%	0.315	37%	0.372	S	S	.	.	S	Bend	trans	-107.2	160.7	172.6	70.5	0	0	0	0	110.4	F80 R84	F80-S82 PolarHBondContact O-N 2.93Å; S82-R84 PolarHBondContact O-N 2.03Å
83	S	94.3	Very high	95.1	Very high	97 Å²	97	69 Å²	69	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11	174.3	54.5	0	0	0	0	113.6
84	R	97.3	Very high	95.3	Very high	26 Å²	26	68.9 Å²	68.9	10%	0.098	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.6	-178.9	-70.3	166.7	37	105.8	10.1	113.1	S82 I100 Q101 D102 R104 D107	S82-R84 PolarHBondContact O-N 2.03Å; R84-I100 CarbonylContact O-C 3.51Å; R84-I100 VanDerWaalsContact O-CA 3.29Å; R84-I100 WeakPolarHBondContact O-CA 3.32Å; R84-Q101 PolarHBondContact O-N 3.25Å; R84-D102 HydrophobicContact CG-CB 4.44Å; R84-D102 IonicContact CZ-OD2 2.8Å; R84-D102 PolarHBondContact NH1-O 2.86Å; R84-D102 IonicContact NH1-OD2 2.82Å; R84-D102 PolarHBondContact NH1-OD2 2.92Å; R84-R104 VanDerWaalsContact NH1-CD 3.28Å; R84-D107 IonicContact CZ-OD2 2.83Å; R84-D107 VanDerWaalsContact NH2-CG 3.26Å; R84-D107 IonicContact NH2-OD1 2.65Å; R84-D107 PolarHBondContact NH2-OD1 3.09Å; R84-D107 VanDerWaalsContact NH2-OD1 3.13Å; R84-D107 IonicContact NH2-OD2 3.96Å; R84-D107 PolarHBondContact NH2-OD2 3.42Å
85	F	97.5	Very high	95.4	Very high	13 Å²	13	67.7 Å²	67.7	6%	0.057	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119	-178.5	-56.7	-76.3	0	0	0	108.8	M66 K76 F80 K99 I100 D107	M66-F85 HydrophobicContact CE-CB 4.42Å; M66-F85 HydrophobicContact CE-CD1 3.76Å; M66-F85 HydrophobicContact CE-CE1 4.3Å; M66-F85 HydrophobicContact CE-CG 4.2Å; K76-F85 WeakPolarHBondContact CE-O 3.49Å; K76-F85 PolarHBondContact NZ-O 2.81Å; F80-F85 HydrophobicContact CB-CD2 4.44Å; F80-F85 AromaticContact CD1-CD2 3.93Å; F80-F85 HydrophobicContact CD1-CD2 3.93Å; F80-F85 HydrophobicContact CD1-CE2 4.01Å; F80-F85 HydrophobicContact CD1-CG 4.22Å; F80-F85 HydrophobicContact CD1-CZ 4.36Å; F85-K99 WeakPolarHBondContact CA-O 3.03Å; F85-I100 HydrophobicContact CD1-CB 4.45Å; F85-I100 HydrophobicContact CD1-CG1 4.07Å; F85-I100 HydrophobicContact CD1-CG2 3.92Å; F85-I100 HydrophobicContact CE1-CD1 4.46Å; F85-I100 HydrophobicContact CE1-CG1 4.37Å; F85-I100 HydrophobicContact CE1-CG2 3.62Å; F85-D107 WeakPolarHBondContact CZ-OD1 3.47Å
86	D	96.6	Very high	95.5	Very high	70 Å²	70	61.9 Å²	61.9	37%	0.374	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.4	-179.4	-153	32	0	0	0	112.5	K76 L98 K99	K76-D86 WeakPolarHBondContact CE-OD1 3.28Å; K76-D86 IonicContact NZ-OD1 3.33Å; K76-D86 PolarHBondContact NZ-OD1 3.05Å; D86-L98 CarbonylContact O-C 3.5Å; D86-K99 PolarHBondContact N-O 3.05Å; D86-K99 PolarHBondContact O-N 3.19Å
87	A	96.5	Very high	95.5	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.033	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.8	175	0	0	0	0	0	109.9	L67 Q69 F96 N97	L67-A87 HydrophobicContact CD1-CB 3.59Å; L67-A87 HydrophobicContact CD2-CB 4.29Å; Q69-A87 PolarHBondContact OE1-O 2.91Å; A87-F96 HydrophobicContact CB-CD2 4.12Å; A87-F96 HydrophobicContact CB-CE1 4.21Å; A87-F96 HydrophobicContact CB-CE2 3.6Å; A87-F96 HydrophobicContact CB-CZ 3.68Å; A87-N97 VanDerWaalsContact CA-O 3.3Å; A87-N97 WeakPolarHBondContact CA-O 3.3Å; A87-N97 VanDerWaalsContact CB-O 3.3Å; A87-N97 WeakPolarHBondContact CB-O 3.19Å
88	D	94.4	Very high	95.6	Very high	105 Å²	105	61.9 Å²	61.9	56%	0.561	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.3	178.7	-176.8	60.4	0	0	0	110.8	N90	D88-N90 PolarHBondContact O-N 2.84Å
89	L	96	Very high	95.6	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.084	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	103.2	-179.7	178.5	60.8	0	0	0	110.2	Y43 L52 Q69 K91 F96	Y43-L89 HydrophobicContact CE1-CD1 3.69Å; L52-L89 HydrophobicContact CB-CD1 4.44Å; L52-L89 HydrophobicContact CD2-CD1 3.72Å; L52-L89 HydrophobicContact CG-CD1 3.96Å; Q69-L89 HydrophobicContact CB-CB 4.12Å; Q69-L89 HydrophobicContact CG-CB 3.86Å; Q69-L89 HydrophobicContact CG-CD2 4.49Å; L89-K91 HydrophobicContact CD2-CG 4.49Å; L89-K91 HydrophobicContact CG-CG 4.27Å; L89-F96 HydrophobicContact CB-CD2 3.85Å; L89-F96 HydrophobicContact CB-CE2 4.2Å; L89-F96 HydrophobicContact CD1-CB 4.29Å; L89-F96 HydrophobicContact CD1-CD2 4.29Å
90	N	95.5	Very high	95.8	Very high	47 Å²	47	55.5 Å²	55.5	25%	0.251	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	101.9	173.6	-163.4	-53.9	0	0	0	110.7	D88 T92 K93 K94 S95	D88-N90 PolarHBondContact O-N 2.84Å; N90-T92 VanDerWaalsContact C-N 3.32Å; N90-T92 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact OD1-N 2.8Å; N90-T92 VanDerWaalsContact OD1-N 3.16Å; N90-K93 HydrophobicContact CB-CB 4.27Å; N90-K93 WeakPolarHBondContact OD1-CB 3.45Å; N90-K93 PolarHBondContact OD1-N 2.94Å; N90-K94 VanDerWaalsContact O-CA 3.28Å; N90-K94 WeakPolarHBondContact O-CA 3.4Å; N90-K94 PolarHBondContact O-N 3.01Å; N90-S95 WeakPolarHBondContact CB-OG 3.49Å; N90-S95 PolarHBondContact N-O 2.93Å; N90-S95 PolarHBondContact O-N 2.74Å
91	K	93.2	Very high	95.9	Very high	83 Å²	83	57.8 Å²	57.8	36%	0.361	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.8	-179.3	-61.9	-174.7	-178.9	-171.8	0	113.8	Q70 L89	Q70-K91 WeakPolarHBondContact O-CE 3.2Å; Q70-K91 PolarHBondContact O-NZ 2.83Å; Q70-K91 VanDerWaalsContact O-NZ 3.09Å; L89-K91 HydrophobicContact CD2-CG 4.49Å; L89-K91 HydrophobicContact CG-CG 4.27Å
92	T	93.4	Very high	96.1	Very high	134 Å²	134	55.3 Å²	55.3	82%	0.822	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-46.8	-179.6	-53.3	0	0	0	0	111.3	N90 K94	N90-T92 VanDerWaalsContact C-N 3.32Å; N90-T92 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact OD1-N 2.8Å; N90-T92 VanDerWaalsContact OD1-N 3.16Å; T92-K94 VanDerWaalsContact C-N 3.27Å
93	K	95.4	Very high	96.3	Very high	160 Å²	160	54.2 Å²	54.2	70%	0.696	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.8	176.4	-63.9	-175.9	178.1	-178.4	0	113.1	N90 S95	N90-K93 HydrophobicContact CB-CB 4.27Å; N90-K93 WeakPolarHBondContact OD1-CB 3.45Å; N90-K93 PolarHBondContact OD1-N 2.94Å; K93-S95 PolarHBondContact O-N 2.81Å
94	K	95.4	Very high	96.4	Very high	63 Å²	63	55.5 Å²	55.5	27%	0.274	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	51.9	-176.8	-63.9	-74.4	-174.1	165.3	0	111.8	T42 Y43 S45 N90 T92	T42-K94 CarbonylContact C-O 3.52Å; T42-K94 WeakPolarHBondContact CA-O 3.48Å; T42-K94 WeakPolarHBondContact CB-O 3.25Å; Y43-K94 VanDerWaalsContact CD1-C 3.42Å; Y43-K94 HydrophobicContact CD1-CB 4.4Å; Y43-K94 WeakPolarHBondContact CD1-O 3.34Å; Y43-K94 HydrophobicContact CD2-CD 4.34Å; Y43-K94 HydrophobicContact CE1-CB 4.22Å; Y43-K94 HydrophobicContact CE1-CD 4.36Å; Y43-K94 HydrophobicContact CE2-CD 3.67Å; Y43-K94 PolarHBondContact N-O 2.8Å; Y43-K94 WeakPolarHBondContact O-CB 3.37Å; S45-K94 PolarHBondContact O-NZ 2.81Å; S45-K94 VanDerWaalsContact O-NZ 3.16Å; N90-K94 VanDerWaalsContact O-CA 3.28Å; N90-K94 WeakPolarHBondContact O-CA 3.4Å; N90-K94 PolarHBondContact O-N 3.01Å; T92-K94 VanDerWaalsContact C-N 3.27Å
95	S	96.9	Very high	96.4	Very high	17 Å²	17	59.4 Å²	59.4	12%	0.119	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.3	-176.6	67.4	0	0	0	0	113.2	C41 N90 K93	C41-S95 CarbonylContact O-C 3.49Å; C41-S95 WeakPolarHBondContact O-CA 3.29Å; C41-S95 WeakPolarHBondContact O-CB 3.13Å; N90-S95 WeakPolarHBondContact CB-OG 3.49Å; N90-S95 PolarHBondContact N-O 2.93Å; N90-S95 PolarHBondContact O-N 2.74Å; K93-S95 PolarHBondContact O-N 2.81Å
96	F	97.3	Very high	96.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	67.6	176.1	-172.5	-122.1	0	0	0	110.5	C41 L52 W54 L67 Q69 A87 L89	C41-F96 PolarHBondContact O-N 3.22Å; L52-F96 HydrophobicContact CB-CB 3.93Å; L52-F96 HydrophobicContact CB-CD1 3.31Å; L52-F96 HydrophobicContact CB-CD2 4.2Å; L52-F96 HydrophobicContact CB-CE1 3.7Å; L52-F96 HydrophobicContact CB-CG 3.55Å; L52-F96 HydrophobicContact CB-CZ 4.32Å; L52-F96 HydrophobicContact CD1-CB 4.5Å; L52-F96 HydrophobicContact CG-CB 3.9Å; L52-F96 HydrophobicContact CG-CD1 4.2Å; L52-F96 HydrophobicContact CG-CG 4.1Å; W54-F96 AromaticContact CD1-CD1 3.45Å; W54-F96 VanDerWaalsContact CD1-CD1 3.45Å; W54-F96 AromaticContact CD1-CE1 3.24Å; W54-F96 HydrophobicContact CG-CE1 4.28Å; W54-F96 WeakPolarHBondContact CZ2-O 3.47Å; W54-F96 AromaticContact NE1-CD1 3.35Å; W54-F96 AromaticContact NE1-CE1 3.68Å; W54-F96 PolarHBondContact NE1-O 3.05Å; L67-F96 HydrophobicContact CD1-CE1 3.88Å; L67-F96 HydrophobicContact CD1-CZ 3.52Å; Q69-F96 HydrophobicContact CB-CE2 3.59Å; Q69-F96 HydrophobicContact CB-CZ 3.92Å; A87-F96 HydrophobicContact CB-CD2 4.12Å; A87-F96 HydrophobicContact CB-CE1 4.21Å; A87-F96 HydrophobicContact CB-CE2 3.6Å; A87-F96 HydrophobicContact CB-CZ 3.68Å; L89-F96 HydrophobicContact CB-CD2 3.85Å; L89-F96 HydrophobicContact CB-CE2 4.2Å; L89-F96 HydrophobicContact CD1-CB 4.29Å; L89-F96 HydrophobicContact CD1-CD2 4.29Å
97	N	97.6	Very high	96.1	Very high	61 Å²	61	59.7 Å²	59.7	33%	0.326	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139.8	-173.1	-61.8	-11.2	0	0	0	111.2	T38 L39 G40 C41 A87	T38-N97 HydrophobicContact CG2-CB 3.71Å; L39-N97 CarbonylContact O-C 3.56Å; L39-N97 VanDerWaalsContact O-CA 3.25Å; L39-N97 WeakPolarHBondContact O-CA 3.37Å; L39-N97 WeakPolarHBondContact O-CB 3.47Å; G40-N97 WeakPolarHBondContact CA-OD1 3.35Å; C41-N97 PolarHBondContact N-OD1 2.93Å; C41-N97 PolarHBondContact O-OD1 2.93Å; A87-N97 VanDerWaalsContact CA-O 3.3Å; A87-N97 WeakPolarHBondContact CA-O 3.3Å; A87-N97 VanDerWaalsContact CB-O 3.3Å; A87-N97 WeakPolarHBondContact CB-O 3.19Å
98	L	97.6	Very high	96.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.1	175.4	175.3	65.9	0	0	0	110.1	T38 L39 W54 M66 L67 D86 I100 Y111	T38-L98 CarbonylContact C-O 3.44Å; T38-L98 WeakPolarHBondContact CA-O 3.4Å; L39-L98 HydrophobicContact CB-CB 4.38Å; L39-L98 HydrophobicContact CD1-CD2 4.21Å; L39-L98 PolarHBondContact N-O 2.82Å; L39-L98 PolarHBondContact O-N 2.69Å; W54-L98 HydrophobicContact CB-CD2 4.31Å; W54-L98 HydrophobicContact CD2-CB 3.64Å; W54-L98 HydrophobicContact CD2-CD2 3.84Å; W54-L98 HydrophobicContact CD2-CG 4.29Å; W54-L98 HydrophobicContact CE3-CB 4.21Å; W54-L98 HydrophobicContact CE3-CD2 3.86Å; W54-L98 HydrophobicContact CG-CB 3.96Å; W54-L98 HydrophobicContact CG-CD1 4.38Å; W54-L98 HydrophobicContact CG-CD2 4.03Å; W54-L98 HydrophobicContact CG-CG 4.36Å; W54-L98 HydrophobicContact CH2-CB 4.25Å; W54-L98 HydrophobicContact CZ2-CB 3.69Å; W54-L98 HydrophobicContact CZ3-CB 4.49Å; W54-L98 HydrophobicContact CZ3-CD2 4.45Å; M66-L98 HydrophobicContact CE-CD1 4.28Å; M66-L98 HydrophobicContact CE-CD2 3.85Å; M66-L98 HydrophobicContact SD-CD2 4Å; L67-L98 HydrophobicContact CD2-CD1 4.11Å; D86-L98 CarbonylContact O-C 3.5Å; L98-I100 HydrophobicContact CD2-CD1 4.16Å; L98-I100 HydrophobicContact CD2-CG1 4.26Å; L98-I100 HydrophobicContact CG-CD1 4.43Å; L98-I100 HydrophobicContact CG-CG1 4.01Å; L98-Y111 HydrophobicContact CD2-CD1 3.68Å; L98-Y111 HydrophobicContact CD2-CE1 4.11Å; L98-Y111 HydrophobicContact CD2-CG 4.48Å
99	K	97.6	Very high	96.1	Very high	86 Å²	86	61 Å²	61	37%	0.374	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	170.1	-170.8	-177.9	-176.8	-165.9	0	109.8	T36 F85 D86 Q101	T36-K99 HydrophobicContact CG2-CD 4.38Å; T36-K99 VanDerWaalsContact CG2-CE 3.43Å; T36-K99 HydrophobicContact CG2-CG 4Å; F85-K99 WeakPolarHBondContact CA-O 3.03Å; D86-K99 PolarHBondContact N-O 3.05Å; D86-K99 PolarHBondContact O-N 3.19Å; K99-Q101 HydrophobicContact CD-CG 4.29Å; K99-Q101 HydrophobicContact CG-CG 4.23Å; K99-Q101 VanDerWaalsContact NZ-NE2 3.12Å
100	I	97.5	Very high	96.1	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.4	174.4	-50.2	-179.6	0	0	0	108	T36 W37 L39 R84 F85 L98 L103 Y111	T36-I100 CarbonylContact C-O 3.58Å; T36-I100 VanDerWaalsContact CA-O 3.3Å; T36-I100 WeakPolarHBondContact CA-O 3.4Å; W37-I100 PolarHBondContact N-O 3.03Å; W37-I100 PolarHBondContact O-N 2.84Å; L39-I100 HydrophobicContact CD1-CD1 4.06Å; R84-I100 CarbonylContact O-C 3.51Å; R84-I100 VanDerWaalsContact O-CA 3.29Å; R84-I100 WeakPolarHBondContact O-CA 3.32Å; F85-I100 HydrophobicContact CD1-CB 4.45Å; F85-I100 HydrophobicContact CD1-CG1 4.07Å; F85-I100 HydrophobicContact CD1-CG2 3.92Å; F85-I100 HydrophobicContact CE1-CD1 4.46Å; F85-I100 HydrophobicContact CE1-CG1 4.37Å; F85-I100 HydrophobicContact CE1-CG2 3.62Å; L98-I100 HydrophobicContact CD2-CD1 4.16Å; L98-I100 HydrophobicContact CD2-CG1 4.26Å; L98-I100 HydrophobicContact CG-CD1 4.43Å; L98-I100 HydrophobicContact CG-CG1 4.01Å; I100-L103 HydrophobicContact CB-CD2 4.12Å; I100-L103 HydrophobicContact CG2-CD2 3.56Å; I100-L103 HydrophobicContact CG2-CG 4.41Å; I100-Y111 HydrophobicContact CD1-CD1 4.4Å; I100-Y111 HydrophobicContact CD1-CE1 3.79Å; I100-Y111 HydrophobicContact CD1-CE2 4.16Å
101	Q	97.9	Very high	96.2	Very high	59 Å²	59	62.6 Å²	62.6	28%	0.276	34%	0.337	S	S	.	.			trans	-105.9	155.4	-179.6	-52.1	175.9	14.3	0	0	110.6	T36 R84 K99	T36-Q101 HydrophobicContact CG2-CG 4.01Å; R84-Q101 PolarHBondContact O-N 3.25Å; K99-Q101 HydrophobicContact CD-CG 4.29Å; K99-Q101 HydrophobicContact CG-CG 4.23Å; K99-Q101 VanDerWaalsContact NZ-NE2 3.12Å
102	D	97.5	Very high	96.3	Very high	70 Å²	70	63.8 Å²	63.8	37%	0.374	34%	0.34	S	S	.	.	S	Bend	trans	56.1	50.1	178.3	175.9	45	0	0	0	111	E35 R84 R104	E35-D102 PolarHBondContact O-N 2.93Å; R84-D102 HydrophobicContact CG-CB 4.44Å; R84-D102 IonicContact CZ-OD2 2.8Å; R84-D102 PolarHBondContact NH1-O 2.86Å; R84-D102 IonicContact NH1-OD2 2.82Å; R84-D102 PolarHBondContact NH1-OD2 2.92Å; D102-R104 PolarHBondContact O-N 3.11Å; D102-R104 IonicContact OD2-CZ 2.77Å; D102-R104 IonicContact OD2-NE 3.13Å; D102-R104 PolarHBondContact OD2-NE 2.94Å; D102-R104 IonicContact OD2-NH2 3.49Å; D102-R104 PolarHBondContact OD2-NH2 2.79Å
103	L	97.3	Very high	96.5	Very high	23 Å²	23	57.7 Å²	57.7	12%	0.12	30%	0.303	C	S	.	.			trans	-49.6	134.6	-173.2	-80.6	170.6	0	0	0	113.1	A31 A33 G34 E35 W37 I100 D107	A31-L103 HydrophobicContact CB-CD1 3.53Å; A33-L103 CarbonylContact C-O 3.52Å; A33-L103 WeakPolarHBondContact CA-O 3.35Å; G34-L103 PolarHBondContact N-O 2.78Å; E35-L103 HydrophobicContact CB-CD1 4.22Å; E35-L103 WeakPolarHBondContact O-CG 3.27Å; E35-L103 PolarHBondContact O-N 2.88Å; W37-L103 HydrophobicContact CB-CD1 3.86Å; I100-L103 HydrophobicContact CB-CD2 4.12Å; I100-L103 HydrophobicContact CG2-CD2 3.56Å; I100-L103 HydrophobicContact CG2-CG 4.41Å; L103-D107 HydrophobicContact CD2-CB 4.2Å
104	R	96.6	Very high	96.4	Very high	124 Å²	124	51.4 Å²	51.4	47%	0.468	28%	0.281	S	S	.	.			trans	-120.9	154.5	178.9	-68.6	175.9	-172.9	167.5	12.4	110	R84 D102 S106 D107	R84-R104 VanDerWaalsContact NH1-CD 3.28Å; D102-R104 PolarHBondContact O-N 3.11Å; D102-R104 IonicContact OD2-CZ 2.77Å; D102-R104 IonicContact OD2-NE 3.13Å; D102-R104 PolarHBondContact OD2-NE 2.94Å; D102-R104 IonicContact OD2-NH2 3.49Å; D102-R104 PolarHBondContact OD2-NH2 2.79Å; R104-S106 PolarHBondContact O-N 3.07Å; R104-S106 VanDerWaalsContact O-N 3.08Å; R104-D107 PolarHBondContact N-OD2 3.47Å; R104-D107 VanDerWaalsContact O-CB 3.3Å; R104-D107 WeakPolarHBondContact O-CB 3.48Å; R104-D107 PolarHBondContact O-N 3.3Å
105	P	95.5	Very high	96.3	Very high	107 Å²	107	49.4 Å²	49.4	70%	0.695	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-54.4	-29.2	172.3	-27.4	35.6	0	0	0	113.8	D107 S108	P105-D107 PolarHBondContact O-N 2.83Å; P105-S108 WeakPolarHBondContact O-CB 3.33Å; P105-S108 PolarHBondContact O-N 3.27Å; P105-S108 PolarHBondContact O-OG 3.45Å
106	S	93.9	Very high	95.6	Very high	78 Å²	78	52.6 Å²	52.6	55%	0.545	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70.3	-13.2	175	58.4	0	0	0	0	114.4	K56 R104 S108	K56-S106 PolarHBondContact NZ-O 2.86Å; R104-S106 PolarHBondContact O-N 3.07Å; R104-S106 VanDerWaalsContact O-N 3.08Å; S106-S108 VanDerWaalsContact C-N 3.31Å
107	D	95.5	Very high	93.9	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.064	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-83.5	-10.9	176.1	-56.4	-38.5	0	0	0	111.7	R84 F85 L103 R104 P105 A109 Y111	R84-D107 IonicContact CZ-OD2 2.83Å; R84-D107 VanDerWaalsContact NH2-CG 3.26Å; R84-D107 IonicContact NH2-OD1 2.65Å; R84-D107 PolarHBondContact NH2-OD1 3.09Å; R84-D107 VanDerWaalsContact NH2-OD1 3.13Å; R84-D107 IonicContact NH2-OD2 3.96Å; R84-D107 PolarHBondContact NH2-OD2 3.42Å; F85-D107 WeakPolarHBondContact CZ-OD1 3.47Å; L103-D107 HydrophobicContact CD2-CB 4.2Å; R104-D107 PolarHBondContact N-OD2 3.47Å; R104-D107 VanDerWaalsContact O-CB 3.3Å; R104-D107 WeakPolarHBondContact O-CB 3.48Å; R104-D107 PolarHBondContact O-N 3.3Å; P105-D107 PolarHBondContact O-N 2.83Å; D107-A109 PolarHBondContact O-N 3.13Å; D107-Y111 WeakPolarHBondContact O-CE2 3.28Å; D107-Y111 PolarHBondContact O-OH 3.34Å
108	S	95.3	Very high	91.8	Very high	101 Å²	101	58.9 Å²	58.9	71%	0.706	33%	0.328	S	S	*	.			trans	-62	110.1	175.2	-63.6	0	0	0	0	110.7	P105 S106	P105-S108 WeakPolarHBondContact O-CB 3.33Å; P105-S108 PolarHBondContact O-N 3.27Å; P105-S108 PolarHBondContact O-OG 3.45Å; S106-S108 VanDerWaalsContact C-N 3.31Å
109	A	95.8	Very high	89.4	Confident	35 Å²	35	64.8 Å²	64.8	29%	0.289	36%	0.364	S	S	.	.	S	Bend	trans	-167.1	172.3	-176.7	0	0	0	0	0	110.1	K56 L57 E58 D107 Y111	K56-A109 HydrophobicContact CD-CB 4.22Å; K56-A109 VanDerWaalsContact CE-CB 3.48Å; K56-A109 HydrophobicContact CG-CB 3.66Å; L57-A109 WeakPolarHBondContact O-CB 3.23Å; E58-A109 HydrophobicContact CG-CB 4.38Å; D107-A109 PolarHBondContact O-N 3.13Å; A109-Y111 HydrophobicContact CB-CE2 4.1Å; A109-Y111 WeakPolarHBondContact O-CD2 3.48Å
110	V	95.8	Very high	86.8	Confident	73 Å²	73	66.7 Å²	66.7	44%	0.442	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.4	165.7	-177.8	0	0	0	0	108.8	L57 Y112	L57-V110 HydrophobicContact CB-CB 4.28Å; L57-V110 PolarHBondContact N-O 3.25Å; L57-V110 PolarHBondContact O-N 3.16Å; V110-Y112 HydrophobicContact CB-CE2 4.22Å; V110-Y112 HydrophobicContact CG1-CD2 4.09Å; V110-Y112 HydrophobicContact CG1-CE1 4.16Å; V110-Y112 HydrophobicContact CG1-CE2 3.46Å; V110-Y112 VanDerWaalsContact CG1-CE2 3.46Å
111	Y	96.6	Very high	84.1	Confident	24 Å²	24	68.5 Å²	68.5	9%	0.094	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.9	179	-71	-93.5	0	0	0	110	Q24 L39 Y55 K56 M66 L98 I100 D107 A109	Q24-Y111 PolarHBondContact NE2-O 3.36Å; L39-Y111 HydrophobicContact CD1-CD1 4.15Å; L39-Y111 HydrophobicContact CD1-CD2 3.75Å; L39-Y111 HydrophobicContact CD1-CE2 4.47Å; L39-Y111 HydrophobicContact CD1-CG 3.55Å; Y55-Y111 CarbonylContact O-C 3.54Å; Y55-Y111 WeakPolarHBondContact O-CA 3.48Å; K56-Y111 HydrophobicContact CB-CD1 4.4Å; K56-Y111 HydrophobicContact CB-CE1 4.15Å; K56-Y111 HydrophobicContact CD-CE1 4.39Å; K56-Y111 HydrophobicContact CG-CD1 4.43Å; K56-Y111 HydrophobicContact CG-CE1 3.9Å; M66-Y111 HydrophobicContact CE-CD1 4.25Å; M66-Y111 HydrophobicContact CE-CE1 3.78Å; M66-Y111 HydrophobicContact SD-CD1 3.67Å; M66-Y111 HydrophobicContact SD-CE1 3.7Å; L98-Y111 HydrophobicContact CD2-CD1 3.68Å; L98-Y111 HydrophobicContact CD2-CE1 4.11Å; L98-Y111 HydrophobicContact CD2-CG 4.48Å; I100-Y111 HydrophobicContact CD1-CD1 4.4Å; I100-Y111 HydrophobicContact CD1-CE1 3.79Å; I100-Y111 HydrophobicContact CD1-CE2 4.16Å; D107-Y111 WeakPolarHBondContact O-CE2 3.28Å; D107-Y111 PolarHBondContact O-OH 3.34Å; A109-Y111 HydrophobicContact CB-CE2 4.1Å; A109-Y111 WeakPolarHBondContact O-CD2 3.48Å
112	Y	96.3	Very high	81.8	Confident	107 Å²	107	71.9 Å²	71.9	42%	0.42	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.3	-179.6	-71.4	-73	0	0	0	111.4	W54 Y55 L57 V110	W54-Y112 CarbonylContact C-O 3.59Å; W54-Y112 WeakPolarHBondContact CA-O 3.22Å; W54-Y112 VanDerWaalsContact CE3-C 3.49Å; Y55-Y112 PolarHBondContact N-O 3.38Å; Y55-Y112 PolarHBondContact O-N 3.35Å; L57-Y112 HydrophobicContact CB-CD2 4.17Å; L57-Y112 HydrophobicContact CB-CE2 3.98Å; L57-Y112 HydrophobicContact CD2-CE2 3.65Å; L57-Y112 HydrophobicContact CG-CE2 4.45Å; V110-Y112 HydrophobicContact CB-CE2 4.22Å; V110-Y112 HydrophobicContact CG1-CD2 4.09Å; V110-Y112 HydrophobicContact CG1-CE1 4.16Å; V110-Y112 HydrophobicContact CG1-CE2 3.46Å; V110-Y112 VanDerWaalsContact CG1-CE2 3.46Å
113	C	96.4	Very high	79.3	Confident	7 Å²	7	75.2 Å²	75.2	5%	0.047	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.8	164.1	-172.2	0	0	0	0	109	Q24 C41 F53 W54	Q24-C113 HydrophobicContact CG-CB 4.02Å; Q24-C113 VanDerWaalsContact OE1-N 3.13Å; C41-C113 HydrophobicContact CB-CB 3.53Å; C41-C113 WeakPolarHBondContact CB-SG 3.49Å; C41-C113 WeakPolarHBondContact SG-CB 3.05Å; C41-C113 CovalentContact SG-SG 2.03Å; C41-C113 PolarHBondContact SG-SG 3Å; F53-C113 WeakPolarHBondContact O-CA 3.28Å; W54-C113 HydrophobicContact CD2-CB 4.29Å; W54-C113 HydrophobicContact CE3-CB 4.21Å; W54-C113 HydrophobicContact CH2-CB 3.82Å; W54-C113 HydrophobicContact CZ2-CB 3.88Å; W54-C113 HydrophobicContact CZ3-CB 3.97Å
114	A	95	Very high	76.9	Confident	28 Å²	28	84.7 Å²	84.7	23%	0.231	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.4	175	0	0	0	0	0	111.2	L52 F53 Y55	L52-A114 CarbonylContact C-O 3.49Å; L52-A114 WeakPolarHBondContact CA-O 3.41Å; F53-A114 HydrophobicContact CB-CB 4.36Å; F53-A114 PolarHBondContact N-O 3.48Å; F53-A114 PolarHBondContact O-N 3.25Å; Y55-A114 HydrophobicContact CD2-CB 4.47Å; Y55-A114 HydrophobicContact CE2-CB 4.11Å
115	L	93.3	Very high	74.4	Confident	20 Å²	20	84 Å²	84	11%	0.105	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.2	169	172.9	63.8	0	0	0	108.4	D20 V22 Y43 E44 P50 L52	D20-L115 HydrophobicContact CB-CD2 3.64Å; V22-L115 HydrophobicContact CG1-CB 3.57Å; Y43-L115 HydrophobicContact CD2-CD1 4.39Å; Y43-L115 HydrophobicContact CD2-CD2 4.3Å; E44-L115 WeakPolarHBondContact O-CD2 3.04Å; P50-L115 HydrophobicContact CB-CD1 3.62Å; L52-L115 HydrophobicContact CD1-CB 3.83Å; L52-L115 HydrophobicContact CD1-CD1 3.96Å; L52-L115 HydrophobicContact CD1-CG 4.48Å; L52-L115 HydrophobicContact CD2-CD1 3.6Å; L52-L115 HydrophobicContact CG-CD1 4.42Å
116	Q	81.7	Confident	71.8	Confident	85 Å²	85	87.1 Å²	87.1	40%	0.397	50%	0.499	S	S	.	.			trans	7.3	96.5	174.4	-172.1	175.1	-7.1	0	0	113.8	T51 T118	T51-Q116 PolarHBondContact O-N 2.91Å; Q116-T118 PolarHBondContact O-N 3.48Å; Q116-T118 PolarHBondContact O-OG1 3.45Å
117	P	60.5	Low	69.1	Low	83 Å²	83	92.5 Å²	92.5	54%	0.539	51%	0.509	S	S	.	.			trans	-62.1	109.6	-177.7	22.8	-31.2	0	0	0	109.6	V119	P117-V119 PolarHBondContact O-N 3.03Å
118	T	53.3	Low	66.3	Low	110 Å²	110	100 Å²	100	68%	0.675	54%	0.541	S	S	*	.			trans	-84	47.3	179.1	-17.7	0	0	0	0	110.9	Q116 T120	Q116-T118 PolarHBondContact O-N 3.48Å; Q116-T118 PolarHBondContact O-OG1 3.45Å; T118-T120 PolarHBondContact O-N 3.16Å
119	V	47.2	Very low	63.6	Low	123 Å²	123	101.6 Å²	101.6	75%	0.745	54%	0.541	S	S	*	.			trans	-79.3	80	158.9	-165.1	0	0	0	0	105.8	P117 G121	P117-V119 PolarHBondContact O-N 3.03Å; V119-G121 PolarHBondContact O-N 2.91Å
120	T	45.1	Very low	60.9	Low	127 Å²	127	106.5 Å²	106.5	78%	0.779	56%	0.562	S	S	*	*			trans	-65.8	82.1	156.2	-15.8	0	0	0	0	104.9	T118 N122	T118-T120 PolarHBondContact O-N 3.16Å; T120-N122 PolarHBondContact O-N 3.45Å
121	G	40.5	Very low	58.2	Low	42 Å²	42	111.3 Å²	111.3	43%	0.433	58%	0.58	S	S	.	*			trans	-56.3	116.5	-177.3	0	0	0	0	0	109.3	V119 T123	V119-G121 PolarHBondContact O-N 2.91Å; G121-T123 PolarHBondContact O-N 2.87Å
122	N	49.4	Very low	55.1	Low	130 Å²	130	119.4 Å²	119.4	70%	0.695	61%	0.612	S	S	*	*				-43.9	120.3	121.1	51.5	-12.8	0	0	0	106.5	T120 R124	T120-N122 PolarHBondContact O-N 3.45Å; N122-R124 PolarHBondContact O-N 3.32Å
123	T	45	Very low	52.5	Low	140 Å²	140	119.2 Å²	119.2	86%	0.859	63%	0.626	S	S	*	*	S	Bend	trans	-67.4	37.4	-170.6	43.9	0	0	0	0	114.3	G121 T125	G121-T123 PolarHBondContact O-N 2.87Å; T123-T125 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 3.29Å
124	R	47	Very low	49.7	Very low	223 Å²	223	124.7 Å²	124.7	84%	0.842	66%	0.659	S	S	*	*			trans	-90.7	82	162.7	-72.2	-174.6	169.5	177.9	-3	107.2	N122 L126	N122-R124 PolarHBondContact O-N 3.32Å; R124-L126 PolarHBondContact O-N 2.98Å; R124-L126 VanDerWaalsContact O-N 3.14Å
125	T	42.8	Very low	47.1	Very low	108 Å²	108	127.5 Å²	127.5	66%	0.663	68%	0.682	S	S	*	*			trans	-35.9	122.2	155.8	7.1	0	0	0	0	108.1	T123 Y127	T123-T125 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 3.29Å; T125-Y127 PolarHBondContact O-N 2.91Å
126	L	42.3	Very low	44.5	Very low	174 Å²	174	131 Å²	131	91%	0.911	71%	0.714	S	S	*	*			trans	-65.1	76.3	158.8	-80.4	164.7	0	0	0	106.6	R124 K128	R124-L126 PolarHBondContact O-N 2.98Å; R124-L126 VanDerWaalsContact O-N 3.14Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.38Å
127	Y	36.4	Very low	42.9	Very low	190 Å²	190	133.6 Å²	133.6	75%	0.745	74%	0.736	S	S	*	*			trans	-60.8	101.2	159.3	-107.9	-90	0	0	0	105.1	T125 N129	T125-Y127 PolarHBondContact O-N 2.91Å; Y127-N129 VanDerWaalsContact C-N 3.33Å; Y127-N129 PolarHBondContact O-N 3.45Å
128	K	37.5	Very low	41.7	Very low	170 Å²	170	141.4 Å²	141.4	74%	0.739	76%	0.755	S	S	*	*			trans	-60	106.8	156.6	-76.8	-173.8	176.6	-177.9	0	105	L126 L130	L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.38Å; K128-L130 PolarHBondContact O-N 2.89Å
129	N	37	Very low	41	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	76%	0.755	S	S	*	*			trans	-59.5	93.6	167	-73.2	-51.5	0	0	0	107.1	Y127 Q131	Y127-N129 VanDerWaalsContact C-N 3.33Å; Y127-N129 PolarHBondContact O-N 3.45Å; N129-Q131 HydrophobicContact CB-CG 4.37Å; N129-Q131 PolarHBondContact O-N 3.32Å
130	L	39.8	Very low	40.8	Very low	139 Å²	139	139.3 Å²	139.3	73%	0.728	76%	0.757	S	S	*	*			trans	-67.5	87.1	154.3	-90.2	114	0	0	0	105.8	K128 Y132	K128-L130 PolarHBondContact O-N 2.89Å; L130-Y132 HydrophobicContact CB-CD2 4.49Å; L130-Y132 HydrophobicContact CD2-CD2 4.37Å; L130-Y132 HydrophobicContact CD2-CE2 3.99Å; L130-Y132 PolarHBondContact O-N 3.43Å
131	Q	38.8	Very low	40.2	Very low	173 Å²	173	142.3 Å²	142.3	81%	0.808	76%	0.762	S	S	*	*			trans	-67.5	92.1	161	-70.1	-166.8	-12.7	0	0	106.7	N129 S133	N129-Q131 HydrophobicContact CB-CG 4.37Å; N129-Q131 PolarHBondContact O-N 3.32Å; Q131-S133 PolarHBondContact O-N 2.83Å
132	Y	31.9	Very low	40.4	Very low	195 Å²	195	145.3 Å²	145.3	77%	0.765	78%	0.777	S	S	*	*			trans	-65.8	91.6	158.6	-99.7	-89.7	0	0	0	106.9	L130 T134	L130-Y132 HydrophobicContact CB-CD2 4.49Å; L130-Y132 HydrophobicContact CD2-CD2 4.37Å; L130-Y132 HydrophobicContact CD2-CE2 3.99Å; L130-Y132 PolarHBondContact O-N 3.43Å; Y132-T134 VanDerWaalsContact C-N 3.32Å; Y132-T134 PolarHBondContact O-N 3.16Å
133	S	41.4	Very low	39.8	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	79%	0.787	S	S	*	*			trans	-67.2	93.4	163.6	154.5	0	0	0	0	107.7	Q131 A135	Q131-S133 PolarHBondContact O-N 2.83Å; S133-A135 VanDerWaalsContact C-N 3.28Å; S133-A135 PolarHBondContact O-N 3.38Å
134	T	37.5	Very low	39.2	Very low	123 Å²	123	147.4 Å²	147.4	76%	0.755	78%	0.781	S	S	*	*			trans	-84.2	80.3	159.8	44.6	0	0	0	0	108.6	Y132 A136	Y132-T134 VanDerWaalsContact C-N 3.32Å; Y132-T134 PolarHBondContact O-N 3.16Å; T134-A136 PolarHBondContact O-N 3.45Å
135	A	41.8	Very low	38.4	Very low	87 Å²	87	143.3 Å²	143.3	72%	0.719	78%	0.776	S	S	*	*			trans	-70.9	84	157.6	0	0	0	0	0	107.9	S133	S133-A135 VanDerWaalsContact C-N 3.28Å; S133-A135 PolarHBondContact O-N 3.38Å
136	A	36.8	Very low	38.2	Very low	93 Å²	93	150.1 Å²	150.1	77%	0.769	80%	0.799	S	S	*	*			trans	-95.3	83.4	167.1	0	0	0	0	0	108.6	T134 R138	T134-A136 PolarHBondContact O-N 3.45Å; A136-R138 PolarHBondContact O-N 3.5Å
137	T	48.4	Very low	38	Very low	139 Å²	139	148.9 Å²	148.9	85%	0.853	79%	0.794	S	S	*	*			trans	-70.2	108.1	156.5	34.9	0	0	0	0	108.5
138	R	35.1	Very low	38.1	Very low	248 Å²	248	146.7 Å²	146.7	94%	0.936	80%	0.796	S	S	*	*			trans	-150.3	123.6	154.5	-133.3	173.1	-177.4	162.8	0.4	110.3	A136	A136-R138 PolarHBondContact O-N 3.5Å
139	G	40.3	Very low	38.1	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	80%	0.799	S	S	*	*			trans	-68.2	-172.4	-172.6	0	0	0	0	0	115.4
140	P	41.4	Very low	38.2	Very low	123 Å²	123	146.1 Å²	146.1	80%	0.799	80%	0.804	S	S	*	*			trans	-83.8	135	-158.6	32.9	-32.3	0	0	0	111.9
141	H	33.8	Very low	38.1	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.875	81%	0.809	S	S	*	*			trans	-131.3	103.7	154.1	-85.5	-79.7	0	0	0	108.8
142	S	43.9	Very low	38	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	81%	0.809	S	S	*	*			trans	-60.5	135.3	159.2	48.6	0	0	0	0	109.9
143	L	36.1	Very low	38.5	Very low	175 Å²	175	141.2 Å²	141.2	92%	0.916	81%	0.812	S	S	*	*			trans	-151.4	141.9	145.7	-97.2	173.2	0	0	0	110.3
144	L	34.2	Very low	38.3	Very low	139 Å²	139	144.2 Å²	144.2	73%	0.728	82%	0.82	S	S	*	*			trans	-71.4	167.1	-161.8	-105.5	77.7	0	0	0	117
145	N	30.2	Very low	38.3	Very low	137 Å²	137	146 Å²	146	73%	0.733	83%	0.825	S	S	*	*			trans	79	134.7	151	-60.5	-16.1	0	0	0	116.9
146	H	38	Very low	38	Very low	250 Å²	250	151.4 Å²	151.4	100%	1.157	84%	0.835	S	S	*	*			cis	-150.7	0	31.6	-152.2	-53.3	0	0	0	111.6

Retrieved 146 of 146 residues in 227.2 ms (Link to these results)

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