A0A075B5K6_MOUSE Loading...

Immunoglobulin kappa variable 2-109

AlphaFold DB , UniProt , Accession A0A075B5K6, Species MOUSE (Mus musculus, Mouse), Gene Igkv2-109, Length 120 aa.

						>A0A075B5K6_MOUSE|A0A075B5K6|Igkv2-109
MRFSAQLLGLLVLWIPGSTADIVMTQAAFSNPVTLGTSASISCRSSKSLLHSNGITYLYWYLQKPGQSPQLLIYQMSNLASGVPDRFSSSGSGTDFTLRISRVEAEDVGVYYCAQNLELP
					

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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	41.7	Very low	57.2	Low	224 Å²	224	137.9 Å²	137.9	100%	1.103	71%	0.713	S	S	*	*				0	114	0	-73.4	160.3	150.2	0	0	107.8	F3	M1-F3 PolarHBondContact O-N 3.34Å
2	R	56.5	Low	57.7	Low	255 Å²	255	135.4 Å²	135.4	96%	0.962	71%	0.708	S	S	*	*			trans	-83.3	109.3	176	-74.9	-178.1	176.3	-176.2	-1.3	107.5	S4	R2-S4 PolarHBondContact O-N 3.28Å
3	F	54	Low	58.3	Low	191 Å²	191	136.4 Å²	136.4	84%	0.838	71%	0.713	S	S	*	*			trans	-64.8	114.8	170.1	-65.5	-81.6	0	0	0	107.5	M1 A5	M1-F3 PolarHBondContact O-N 3.34Å; F3-A5 PolarHBondContact O-N 3.23Å
4	S	57.4	Low	58.8	Low	67 Å²	67	141.8 Å²	141.8	47%	0.469	72%	0.72	S	S	.	*			trans	-63.1	118.3	-179.2	-177.6	0	0	0	0	109	R2 Q6 L7	R2-S4 PolarHBondContact O-N 3.28Å; S4-Q6 PolarHBondContact O-N 2.62Å; S4-L7 WeakPolarHBondContact O-CB 3.08Å; S4-L7 PolarHBondContact O-N 3.12Å
5	A	61.8	Low	59.4	Low	83 Å²	83	141.4 Å²	141.4	69%	0.686	72%	0.718	S	S	*	*	H	α-helix	trans	-54.9	-20.4	177.2	0	0	0	0	0	112.9	F3 L7 L8 G9	F3-A5 PolarHBondContact O-N 3.23Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 2.8Å; A5-L8 PolarHBondContact O-N 3.4Å; A5-G9 PolarHBondContact O-N 3.06Å
6	Q	60.4	Low	59.8	Low	153 Å²	153	139.8 Å²	139.8	72%	0.715	72%	0.72	S	S	*	*	H	α-helix	trans	-63.3	-32.2	174.4	-61.3	-172.2	-60.7	0	0	112.9	S4 L8 G9 L10	S4-Q6 PolarHBondContact O-N 2.62Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-G9 PolarHBondContact O-N 3.21Å; Q6-L10 PolarHBondContact O-N 3.3Å
7	L	59.4	Low	60	Low	132 Å²	132	135.6 Å²	135.6	69%	0.691	72%	0.72	S	S	*	*	H	α-helix	trans	-69.3	-34.2	178.7	-146.4	84.5	0	0	0	111.4	S4 A5 L10 L11	S4-L7 WeakPolarHBondContact O-CB 3.08Å; S4-L7 PolarHBondContact O-N 3.12Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 2.8Å; L7-L10 PolarHBondContact O-N 3.41Å; L7-L11 PolarHBondContact O-N 3.12Å; L7-L11 VanDerWaalsContact O-N 3.12Å
8	L	57.5	Low	60.3	Low	126 Å²	126	134 Å²	134	66%	0.66	72%	0.721	S	S	*	*	H	α-helix	trans	-67.3	-41.7	177.1	-122.1	85.7	0	0	0	111.5	A5 Q6 L10 L11 V12	A5-L8 PolarHBondContact O-N 3.4Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 2.87Å; L8-V12 WeakPolarHBondContact O-CG2 3.44Å; L8-V12 PolarHBondContact O-N 3.24Å
9	G	59.4	Low	60.7	Low	44 Å²	44	133.7 Å²	133.7	45%	0.454	73%	0.725	S	S	.	*	H	α-helix	trans	-64.7	-35.9	177.3	0	0	0	0	0	113.2	A5 Q6	A5-G9 PolarHBondContact O-N 3.06Å; Q6-G9 PolarHBondContact O-N 3.21Å
10	L	59.8	Low	61.3	Low	109 Å²	109	130.7 Å²	130.7	57%	0.571	72%	0.718	S	S	*	*	H	α-helix	trans	-69.4	-33.9	173.7	-88.6	151.6	0	0	0	112.7	Q6 L7 L8 W14	Q6-L10 PolarHBondContact O-N 3.3Å; L7-L10 PolarHBondContact O-N 3.41Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.13Å; L10-W14 VanDerWaalsContact O-CD1 3.32Å
11	L	61.8	Low	62.6	Low	133 Å²	133	128 Å²	128	70%	0.696	70%	0.703	S	S	*	*	H	α-helix	trans	-70.8	-31.7	-178.4	-159.5	74.6	0	0	0	113	L7 L8 L13	L7-L11 PolarHBondContact O-N 3.12Å; L7-L11 VanDerWaalsContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 2.87Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.99Å
12	V	63.1	Low	65	Low	108 Å²	108	117.7 Å²	117.7	66%	0.655	65%	0.652	S	S	*	*	H	α-helix	trans	-72.8	-25	-179	176.6	0	0	0	0	112.6	L8 W14	L8-V12 WeakPolarHBondContact O-CG2 3.44Å; L8-V12 PolarHBondContact O-N 3.24Å; V12-W14 VanDerWaalsContact C-N 3.3Å; V12-W14 PolarHBondContact O-N 3.25Å
13	L	64.7	Low	66.8	Low	148 Å²	148	109.4 Å²	109.4	78%	0.775	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-2.7	-178.1	-77.5	156.5	0	0	0	114.3	L11	L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.99Å
14	W	65.6	Low	68.8	Low	212 Å²	212	102.5 Å²	102.5	80%	0.803	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	36.6	-177.7	-73.3	76.8	0	0	0	113.2	L10 V12 P16	L10-W14 VanDerWaalsContact O-CD1 3.32Å; V12-W14 VanDerWaalsContact C-N 3.3Å; V12-W14 PolarHBondContact O-N 3.25Å; W14-P16 WeakPolarHBondContact O-CD 3.41Å
15	I	68.3	Low	70.7	Confident	136 Å²	136	103.3 Å²	103.3	70%	0.697	60%	0.603	S	S	*	*			trans	-98.3	98.3	164.1	-52.1	177	0	0	0	106.7	G17	I15-G17 PolarHBondContact O-N 2.76Å
16	P	65	Low	72.3	Confident	115 Å²	115	102.4 Å²	102.4	75%	0.747	59%	0.585	S	S	*	*			trans	-55.1	111	162.7	-17.6	28.7	0	0	0	106.8	W14 S18	W14-P16 WeakPolarHBondContact O-CD 3.41Å; P16-S18 PolarHBondContact O-N 3.31Å
17	G	63.9	Low	73.5	Confident	69 Å²	69	98.8 Å²	98.8	71%	0.711	58%	0.581	S	S	*	*			trans	-59.4	105.7	171.2	0	0	0	0	0	107.6	I15 T19	I15-G17 PolarHBondContact O-N 2.76Å; G17-T19 PolarHBondContact O-N 3.43Å; G17-T19 VanDerWaalsContact O-N 3.13Å
18	S	65.4	Low	74.6	Confident	107 Å²	107	97 Å²	97	75%	0.748	59%	0.586	S	S	*	*			trans	-69.5	107.8	170.6	55.1	0	0	0	0	107	P16 A20	P16-S18 PolarHBondContact O-N 3.31Å; S18-A20 VanDerWaalsContact C-N 3.34Å; S18-A20 PolarHBondContact O-N 2.92Å
19	T	66.9	Low	75.7	Confident	129 Å²	129	95.4 Å²	95.4	79%	0.791	57%	0.573	S	S	*	*			trans	-69.5	98.1	168.8	53.4	0	0	0	0	107.2	G17 D21	G17-T19 PolarHBondContact O-N 3.43Å; G17-T19 VanDerWaalsContact O-N 3.13Å; T19-D21 PolarHBondContact O-N 2.89Å
20	A	74.5	Confident	76.6	Confident	72 Å²	72	98.3 Å²	98.3	60%	0.595	59%	0.587	S	S	*	*			trans	-80.1	40.2	179.9	0	0	0	0	0	111.6	S18 E118	S18-A20 VanDerWaalsContact C-N 3.34Å; S18-A20 PolarHBondContact O-N 2.92Å; A20-E118 VanDerWaalsContact C-OE2 3.28Å
21	D	86.9	Confident	77.7	Confident	74 Å²	74	98.4 Å²	98.4	40%	0.396	59%	0.588	S	S	.	*			trans	-111.9	145.6	-179.3	-170.7	17.6	0	0	0	110.7	T19 E118	T19-D21 PolarHBondContact O-N 2.89Å; D21-E118 WeakPolarHBondContact CA-OE2 3.34Å
22	I	92.6	Very high	78.9	Confident	8 Å²	8	98 Å²	98	4%	0.041	59%	0.593	C	S	.	*			trans	-93.1	109.6	172.8	-67	157.4	0	0	0	108.6	M24 S46 K47 L49 Q115 L117 E118	I22-M24 HydrophobicContact CG2-SD 3.94Å; I22-S46 WeakPolarHBondContact CA-OG 3.33Å; I22-K47 HydrophobicContact CG1-CB 4.19Å; I22-K47 HydrophobicContact CG1-CD 3.92Å; I22-K47 HydrophobicContact CG1-CG 4.29Å; I22-L49 HydrophobicContact CD1-CD2 4.2Å; I22-L49 HydrophobicContact CG2-CD2 3.92Å; I22-Q115 HydrophobicContact CB-CG 3.96Å; I22-Q115 HydrophobicContact CD1-CG 4.45Å; I22-Q115 HydrophobicContact CG2-CG 3.73Å; I22-L117 HydrophobicContact CD1-CB 3.85Å; I22-L117 HydrophobicContact CD1-CD1 4.11Å; I22-E118 HydrophobicContact CD1-CB 4.02Å; I22-E118 HydrophobicContact CD1-CG 3.77Å; I22-E118 HydrophobicContact CG1-CB 4.35Å; I22-E118 HydrophobicContact CG1-CG 4.23Å; I22-E118 WeakPolarHBondContact CG1-OE2 3.44Å; I22-E118 PolarHBondContact N-OE2 2.99Å
23	V	94.3	Very high	80.2	Confident	81 Å²	81	95.9 Å²	95.9	49%	0.491	58%	0.58	S	S	.	*			trans	-85.6	126.6	177.5	-178	0	0	0	0	109.4	S45 S46	V23-S45 CarbonylContact O-C 3.59Å; V23-S45 WeakPolarHBondContact O-CA 3.49Å; V23-S46 PolarHBondContact N-OG 2.85Å; V23-S46 PolarHBondContact O-N 2.81Å
24	M	96	Very high	81.6	Confident	47 Å²	47	93.3 Å²	93.3	23%	0.232	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.3	129.6	173.7	-55.8	-57.6	-74.7	0	0	109.5	I22 C43 R44 S45 L49 L58 C113 Q115	I22-M24 HydrophobicContact CG2-SD 3.94Å; M24-C43 VanDerWaalsContact CE-SG 3.52Å; M24-R44 CarbonylContact C-O 3.5Å; M24-S45 VanDerWaalsContact SD-CB 3.55Å; M24-L49 HydrophobicContact CE-CD1 3.94Å; M24-L49 HydrophobicContact SD-CD1 4.44Å; M24-L58 HydrophobicContact CE-CD1 3.91Å; M24-C113 HydrophobicContact CE-CB 4.31Å; M24-Q115 HydrophobicContact CG-CG 4.19Å; M24-Q115 HydrophobicContact SD-CB 4.1Å; M24-Q115 HydrophobicContact SD-CG 3.81Å
25	T	97.1	Very high	83.1	Confident	83 Å²	83	88.6 Å²	88.6	51%	0.509	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	129.2	-177.7	-55.8	0	0	0	0	110	C43 R44	T25-C43 CarbonylContact O-C 3.55Å; T25-C43 WeakPolarHBondContact O-CA 3.33Å; T25-R44 PolarHBondContact N-O 2.94Å; T25-R44 PolarHBondContact O-N 2.75Å
26	Q	95.7	Very high	84.5	Confident	65 Å²	65	84.5 Å²	84.5	30%	0.304	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.3	137.2	175.4	-63.5	178	-91.3	0	0	109.2	C43 Y111 C113	Q26-C43 HydrophobicContact CG-CB 4.19Å; Q26-Y111 PolarHBondContact NE2-O 2.84Å; Q26-C113 VanDerWaalsContact CD-SG 3.5Å; Q26-C113 WeakPolarHBondContact CG-SG 3.1Å
27	A	86.5	Confident	86	Confident	76 Å²	76	82 Å²	82	63%	0.628	54%	0.535	S	S	*	.			trans	-76.5	143.5	170.3	0	0	0	0	0	109.4	F29	A27-F29 PolarHBondContact O-N 3.4Å; A27-F29 VanDerWaalsContact O-N 3.12Å
28	A	82.6	Confident	87.5	Confident	96 Å²	96	81.6 Å²	81.6	79%	0.793	52%	0.521	S	S	*	.			trans	-60.6	118.3	171.6	0	0	0	0	0	109	S30	A28-S30 PolarHBondContact O-N 2.76Å
29	F	80.4	Confident	89	Confident	92 Å²	92	77 Å²	77	40%	0.404	49%	0.49	S	S	.	.			trans	-75.5	112.7	177.1	-174.2	-87.8	0	0	0	109.1	A27 N31 V33 A39 S40 I41	A27-F29 PolarHBondContact O-N 3.4Å; A27-F29 VanDerWaalsContact O-N 3.12Å; F29-N31 HydrophobicContact CE1-CB 4.26Å; F29-N31 WeakPolarHBondContact CE1-O 3.34Å; F29-N31 HydrophobicContact CE2-CB 4.46Å; F29-N31 HydrophobicContact CZ-CB 3.94Å; F29-V33 HydrophobicContact CE1-CG2 3.35Å; F29-V33 HydrophobicContact CZ-CG2 3.66Å; F29-A39 HydrophobicContact CZ-CB 4.48Å; F29-S40 WeakPolarHBondContact CD2-O 3.36Å; F29-S40 WeakPolarHBondContact CE2-O 3.34Å; F29-I41 HydrophobicContact CD2-CG1 4.29Å
30	S	77.3	Confident	90.4	Very high	105 Å²	105	73.4 Å²	73.4	73%	0.734	47%	0.47	S	S	*	.			trans	-115.7	-7.2	-174	58.1	0	0	0	0	114.4	A28	A28-S30 PolarHBondContact O-N 2.76Å
31	N	82.7	Confident	91.4	Very high	111 Å²	111	71 Å²	71	59%	0.594	45%	0.447	S	S	*	.	S	Bend	trans	-72.5	135.1	-178.3	-70.2	-23.3	0	0	0	110.3	F29 V33	F29-N31 HydrophobicContact CE1-CB 4.26Å; F29-N31 WeakPolarHBondContact CE1-O 3.34Å; F29-N31 HydrophobicContact CE2-CB 4.46Å; F29-N31 HydrophobicContact CZ-CB 3.94Å; N31-V33 PolarHBondContact O-N 3.5Å
32	P	86.6	Confident	91.9	Very high	124 Å²	124	70.8 Å²	70.8	81%	0.805	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-62.5	131.3	170.8	26.4	-32.3	0	0	0	109.4
33	V	91	Very high	92.1	Very high	64 Å²	64	70.6 Å²	70.6	39%	0.388	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-102.5	127.3	177.5	-171.9	0	0	0	0	109	F29 N31 A39 V103	F29-V33 HydrophobicContact CE1-CG2 3.35Å; F29-V33 HydrophobicContact CZ-CG2 3.66Å; N31-V33 PolarHBondContact O-N 3.5Å; V33-A39 HydrophobicContact CG1-CB 3.96Å; V33-A39 HydrophobicContact CG2-CB 4.23Å; V33-V103 HydrophobicContact CG1-CB 3.82Å; V33-V103 HydrophobicContact CG1-CG1 3.68Å; V33-V103 HydrophobicContact CG1-CG2 3.61Å
34	T	95	Very high	92.2	Very high	94 Å²	94	73.7 Å²	73.7	58%	0.577	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-96.1	135.8	174.4	-56.6	0	0	0	0	109.4	T37	T34-T37 HydrophobicContact CG2-CG2 4.12Å; T34-T37 WeakPolarHBondContact O-CB 3.36Å; T34-T37 PolarHBondContact O-N 3.4Å; T34-T37 VanDerWaalsContact O-N 3.12Å; T34-T37 PolarHBondContact O-OG1 2.81Å
35	L	96.6	Very high	92.3	Very high	112 Å²	112	71.7 Å²	71.7	59%	0.586	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	142.9	174.6	-63.3	-179.9	0	0	0	111	T37 V103	L35-T37 PolarHBondContact O-N 2.89Å; L35-V103 CarbonylContact C-O 3.54Å; L35-V103 WeakPolarHBondContact CA-O 3.23Å; L35-V103 HydrophobicContact CD2-CG1 4.3Å
36	G	97.2	Very high	92.2	Very high	51 Å²	51	70.9 Å²	70.9	53%	0.526	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-8.4	-176.4	0	0	0	0	0	115	V103	G36-V103 PolarHBondContact N-O 3.1Å
37	T	96.7	Very high	92.1	Very high	62 Å²	62	71.5 Å²	71.5	38%	0.38	44%	0.443	S	S	.	.	S	Bend	trans	-93.4	167.5	175.4	72.2	0	0	0	0	111.9	T34 L35 S101 V103	T34-T37 HydrophobicContact CG2-CG2 4.12Å; T34-T37 WeakPolarHBondContact O-CB 3.36Å; T34-T37 PolarHBondContact O-N 3.4Å; T34-T37 VanDerWaalsContact O-N 3.12Å; T34-T37 PolarHBondContact O-OG1 2.81Å; L35-T37 PolarHBondContact O-N 2.89Å; T37-S101 CarbonylContact C-O 3.57Å; T37-V103 WeakPolarHBondContact O-CG2 3.41Å; T37-V103 PolarHBondContact O-N 2.83Å
38	S	96.6	Very high	92.6	Very high	60 Å²	60	70.8 Å²	70.8	42%	0.42	43%	0.434	S	S	.	.			trans	-82.6	143.9	174.7	-62.7	0	0	0	0	111.9	I100 S101	S38-I100 CarbonylContact C-O 3.57Å; S38-I100 WeakPolarHBondContact CA-O 3.45Å; S38-I100 WeakPolarHBondContact CB-O 3.12Å; S38-S101 WeakPolarHBondContact CA-O 3.39Å; S38-S101 PolarHBondContact N-O 2.99Å; S38-S101 PolarHBondContact OG-O 3.46Å
39	A	95.8	Very high	93.2	Very high	11 Å²	11	66.2 Å²	66.2	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.3	168.9	0	0	0	0	0	110.8	F29 V33 R99 I100 V103	F29-A39 HydrophobicContact CZ-CB 4.48Å; V33-A39 HydrophobicContact CG1-CB 3.96Å; V33-A39 HydrophobicContact CG2-CB 4.23Å; A39-R99 WeakPolarHBondContact O-CA 3.36Å; A39-I100 PolarHBondContact N-O 2.93Å; A39-I100 PolarHBondContact O-N 3.37Å; A39-V103 HydrophobicContact CB-CG2 3.72Å
40	S	95.7	Very high	94	Very high	53 Å²	53	66.5 Å²	66.5	37%	0.371	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.7	178.2	-63	0	0	0	0	111.9	F29 L98	F29-S40 WeakPolarHBondContact CD2-O 3.36Å; F29-S40 WeakPolarHBondContact CE2-O 3.34Å; S40-L98 CarbonylContact C-O 3.59Å; S40-L98 WeakPolarHBondContact CA-O 3.19Å
41	I	96.2	Very high	94.8	Very high	22 Å²	22	65.2 Å²	65.2	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.6	-178.1	-55.4	178.9	0	0	0	107.8	F29 W60 T97 L98 Y111	F29-I41 HydrophobicContact CD2-CG1 4.29Å; I41-W60 HydrophobicContact CB-CH2 4.49Å; I41-W60 HydrophobicContact CB-CZ3 4.48Å; I41-W60 HydrophobicContact CG2-CH2 4.24Å; I41-W60 HydrophobicContact CG2-CZ3 4.09Å; I41-W60 WeakPolarHBondContact O-CH2 3.4Å; I41-T97 CarbonylContact O-C 3.57Å; I41-T97 WeakPolarHBondContact O-CA 3.42Å; I41-L98 HydrophobicContact CB-CB 4.35Å; I41-L98 HydrophobicContact CD1-CD2 4.35Å; I41-L98 PolarHBondContact N-O 2.76Å; I41-L98 PolarHBondContact O-N 3.24Å; I41-Y111 HydrophobicContact CD1-CD1 4.41Å; I41-Y111 HydrophobicContact CD1-CD2 3.53Å; I41-Y111 HydrophobicContact CD1-CE2 4.28Å; I41-Y111 HydrophobicContact CD1-CG 3.6Å
42	S	96.6	Very high	95.4	Very high	70 Å²	70	65.5 Å²	65.5	49%	0.49	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.2	179.8	-58.3	0	0	0	0	111.6	F96	S42-F96 WeakPolarHBondContact CA-O 3.13Å
43	C	97.4	Very high	95.9	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.027	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.3	174.3	172.7	0	0	0	0	109.6	M24 T25 Q26 W60 F96 C113	M24-C43 VanDerWaalsContact CE-SG 3.52Å; T25-C43 CarbonylContact O-C 3.55Å; T25-C43 WeakPolarHBondContact O-CA 3.33Å; Q26-C43 HydrophobicContact CG-CB 4.19Å; C43-W60 HydrophobicContact CB-CH2 3.54Å; C43-W60 HydrophobicContact CB-CZ2 3.83Å; C43-W60 HydrophobicContact CB-CZ3 4.44Å; C43-F96 HydrophobicContact CB-CB 4.4Å; C43-F96 PolarHBondContact N-O 2.91Å; C43-F96 PolarHBondContact O-N 2.97Å; C43-F96 VanDerWaalsContact O-O 3.13Å; C43-C113 HydrophobicContact CB-CB 3.56Å; C43-C113 WeakPolarHBondContact CB-SG 3.45Å; C43-C113 WeakPolarHBondContact SG-CB 3.32Å; C43-C113 CovalentContact SG-SG 2.01Å; C43-C113 PolarHBondContact SG-SG 2.92Å
44	R	97.7	Very high	96.1	Very high	146 Å²	146	63 Å²	63	55%	0.551	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.3	176.2	-179.2	173.2	-68.9	165.1	0.5	111	M24 T25 T94 D95	M24-R44 CarbonylContact C-O 3.5Å; T25-R44 PolarHBondContact N-O 2.94Å; T25-R44 PolarHBondContact O-N 2.75Å; R44-T94 CarbonylContact C-O 3.54Å; R44-T94 WeakPolarHBondContact CA-O 3.38Å; R44-D95 IonicContact CZ-OD1 2.88Å; R44-D95 VanDerWaalsContact CZ-OD1 3.31Å; R44-D95 IonicContact NE-OD1 3.31Å; R44-D95 PolarHBondContact NE-OD1 3.02Å; R44-D95 IonicContact NH2-OD1 2.76Å; R44-D95 PolarHBondContact NH2-OD1 3.13Å
45	S	96.6	Very high	96.2	Very high	4 Å²	4	61 Å²	61	3%	0.028	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	153.4	169.5	60.4	0	0	0	0	111.3	V23 M24 K47 T94	V23-S45 CarbonylContact O-C 3.59Å; V23-S45 WeakPolarHBondContact O-CA 3.49Å; M24-S45 VanDerWaalsContact SD-CB 3.55Å; S45-K47 VanDerWaalsContact C-N 3.29Å; S45-K47 WeakPolarHBondContact CB-O 3.24Å; S45-K47 PolarHBondContact O-N 2.89Å; S45-K47 PolarHBondContact OG-O 3.37Å; S45-T94 PolarHBondContact N-O 2.83Å; S45-T94 WeakPolarHBondContact O-CB 3.39Å; S45-T94 WeakPolarHBondContact O-CG2 3.21Å; S45-T94 WeakPolarHBondContact OG-CA 3.4Å
46	S	95.5	Very high	96.2	Very high	66 Å²	66	57 Å²	57	46%	0.462	35%	0.35	S	S	.	.	S	Bend	trans	-72.8	-19.4	176.1	62.7	0	0	0	0	114	I22 V23	I22-S46 WeakPolarHBondContact CA-OG 3.33Å; V23-S46 PolarHBondContact N-OG 2.85Å; V23-S46 PolarHBondContact O-N 2.81Å
47	K	94.6	Very high	96.2	Very high	78 Å²	78	56.6 Å²	56.6	34%	0.339	33%	0.333	S	S	.	.	S	Bend	trans	-139.2	165.5	178.4	-54.9	177.4	-171	156.9	0	110.4	I22 S45 L49 E118	I22-K47 HydrophobicContact CG1-CB 4.19Å; I22-K47 HydrophobicContact CG1-CD 3.92Å; I22-K47 HydrophobicContact CG1-CG 4.29Å; S45-K47 VanDerWaalsContact C-N 3.29Å; S45-K47 WeakPolarHBondContact CB-O 3.24Å; S45-K47 PolarHBondContact O-N 2.89Å; S45-K47 PolarHBondContact OG-O 3.37Å; K47-L49 PolarHBondContact O-N 2.97Å; K47-E118 IonicContact NZ-OE1 3.5Å; K47-E118 PolarHBondContact NZ-OE1 3.43Å; K47-E118 IonicContact NZ-OE2 2.83Å; K47-E118 PolarHBondContact NZ-OE2 3.46Å
48	S	95.5	Very high	96.2	Very high	61 Å²	61	53.6 Å²	53.6	43%	0.427	32%	0.315	S	S	.	.			trans	-58.6	133.6	172.5	-177.4	0	0	0	0	111.3	L50 G93	S48-L50 VanDerWaalsContact C-N 3.35Å; S48-L50 PolarHBondContact OG-N 2.86Å; S48-G93 WeakPolarHBondContact CA-O 3.33Å
49	L	96.2	Very high	96.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.			trans	-91.3	4.9	174.1	-57.8	-172.9	0	0	0	113.8	I22 M24 K47 H51 T56 Y57 L58 G93 F96 Q115 L117	I22-L49 HydrophobicContact CD1-CD2 4.2Å; I22-L49 HydrophobicContact CG2-CD2 3.92Å; M24-L49 HydrophobicContact CE-CD1 3.94Å; M24-L49 HydrophobicContact SD-CD1 4.44Å; K47-L49 PolarHBondContact O-N 2.97Å; L49-H51 PolarHBondContact O-N 3.42Å; L49-T56 HydrophobicContact CB-CG2 3.97Å; L49-T56 WeakPolarHBondContact O-CA 3.48Å; L49-Y57 PolarHBondContact O-N 2.87Å; L49-L58 HydrophobicContact CD1-CB 4.05Å; L49-L58 HydrophobicContact CD1-CD1 3.81Å; L49-G93 PolarHBondContact N-O 3.29Å; L49-F96 HydrophobicContact CB-CE2 4.38Å; L49-F96 HydrophobicContact CB-CZ 3.95Å; L49-F96 HydrophobicContact CD1-CD2 4.29Å; L49-F96 HydrophobicContact CD1-CE2 3.5Å; L49-F96 HydrophobicContact CD1-CZ 3.8Å; L49-F96 HydrophobicContact CG-CE2 3.82Å; L49-F96 HydrophobicContact CG-CZ 3.91Å; L49-Q115 HydrophobicContact CD1-CB 3.96Å; L49-Q115 HydrophobicContact CD2-CB 3.62Å; L49-Q115 HydrophobicContact CD2-CG 4.07Å; L49-Q115 HydrophobicContact CG-CB 4.44Å; L49-L117 HydrophobicContact CB-CD1 4.37Å; L49-L117 HydrophobicContact CD2-CD1 4.15Å
50	L	96.8	Very high	96.4	Very high	99 Å²	99	51.7 Å²	51.7	52%	0.518	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-78.1	115.7	175.7	-179	65	0	0	0	110.1	S48 G54	S48-L50 VanDerWaalsContact C-N 3.35Å; S48-L50 PolarHBondContact OG-N 2.86Å; L50-G54 WeakPolarHBondContact CD1-O 3.37Å
51	H	95.1	Very high	96.6	Very high	77 Å²	77	52.7 Å²	52.7	36%	0.356	29%	0.292	S	S	.	.			trans	-85.3	165.5	175.8	-173.9	-105.1	0	0	0	112.1	L49 N53 G54 I55 Y57 L117	L49-H51 PolarHBondContact O-N 3.42Å; H51-N53 WeakPolarHBondContact CB-OD1 3.29Å; H51-N53 PolarHBondContact ND1-N 3.15Å; H51-N53 PolarHBondContact ND1-ND2 2.85Å; H51-N53 PolarHBondContact ND1-OD1 2.88Å; H51-N53 PolarHBondContact O-N 3.27Å; H51-N53 VanDerWaalsContact O-N 3.12Å; H51-G54 PolarHBondContact O-N 3.16Å; H51-I55 WeakPolarHBondContact CB-O 3.41Å; H51-I55 PolarHBondContact N-O 2.91Å; H51-Y57 HydrophobicContact CB-CD2 3.48Å; H51-Y57 VanDerWaalsContact CB-CD2 3.48Å; H51-Y57 HydrophobicContact CB-CE2 3.38Å; H51-Y57 AromaticContact CG-CE2 3.67Å; H51-Y57 AromaticContact ND1-CE2 3.91Å; H51-L117 HydrophobicContact CB-CD2 3.87Å
52	S	95.3	Very high	96.6	Very high	117 Å²	117	52.4 Å²	52.4	82%	0.818	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	-177.9	59	0	0	0	0	114.4	G54	S52-G54 PolarHBondContact O-N 2.8Å
53	N	96.1	Very high	96.7	Very high	82 Å²	82	51.9 Å²	51.9	44%	0.439	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.6	173.9	65.5	-0.3	0	0	0	113.6	H51 I55 Y57	H51-N53 WeakPolarHBondContact CB-OD1 3.29Å; H51-N53 PolarHBondContact ND1-N 3.15Å; H51-N53 PolarHBondContact ND1-ND2 2.85Å; H51-N53 PolarHBondContact ND1-OD1 2.88Å; H51-N53 PolarHBondContact O-N 3.27Å; H51-N53 VanDerWaalsContact O-N 3.12Å; N53-I55 VanDerWaalsContact C-N 3.28Å; N53-I55 PolarHBondContact O-N 2.85Å; N53-I55 WeakPolarHBondContact OD1-CB 3.24Å; N53-I55 PolarHBondContact OD1-N 2.83Å; N53-Y57 PolarHBondContact ND2-OH 2.76Å
54	G	95.9	Very high	96.7	Very high	55 Å²	55	54.8 Å²	54.8	57%	0.567	29%	0.293	S	S	*	.	S	Bend	trans	81.6	0.6	-178.7	0	0	0	0	0	114.6	L50 H51 S52	L50-G54 WeakPolarHBondContact CD1-O 3.37Å; H51-G54 PolarHBondContact O-N 3.16Å; S52-G54 PolarHBondContact O-N 2.8Å
55	I	96.4	Very high	96.6	Very high	52 Å²	52	52.5 Å²	52.5	27%	0.267	30%	0.297	S	S	.	.			trans	-88.1	132.6	177.9	-60	179.6	0	0	0	109.4	H51 N53 Y57 Q75	H51-I55 WeakPolarHBondContact CB-O 3.41Å; H51-I55 PolarHBondContact N-O 2.91Å; N53-I55 VanDerWaalsContact C-N 3.28Å; N53-I55 PolarHBondContact O-N 2.85Å; N53-I55 WeakPolarHBondContact OD1-CB 3.24Å; N53-I55 PolarHBondContact OD1-N 2.83Å; I55-Y57 HydrophobicContact CB-CD2 4.27Å; I55-Y57 HydrophobicContact CB-CE2 3.86Å; I55-Y57 HydrophobicContact CG2-CD1 4.28Å; I55-Y57 HydrophobicContact CG2-CD2 4.08Å; I55-Y57 HydrophobicContact CG2-CE1 4.15Å; I55-Y57 HydrophobicContact CG2-CE2 3.94Å; I55-Y57 HydrophobicContact CG2-CG 4.32Å; I55-Y57 WeakPolarHBondContact O-CD2 3.37Å; I55-Q75 HydrophobicContact CG2-CB 3.95Å; I55-Q75 HydrophobicContact CG2-CG 3.68Å
56	T	97.4	Very high	96.6	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.16	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-91.7	115.6	170.1	-64.7	0	0	0	0	109.5	L49 L58 Q75 M76 F96	L49-T56 HydrophobicContact CB-CG2 3.97Å; L49-T56 WeakPolarHBondContact O-CA 3.48Å; T56-L58 VanDerWaalsContact C-N 3.25Å; T56-L58 HydrophobicContact CG2-CB 4.37Å; T56-L58 PolarHBondContact O-N 2.86Å; T56-Q75 CarbonylContact O-C 3.28Å; T56-Q75 VanDerWaalsContact O-C 3.28Å; T56-Q75 VanDerWaalsContact O-CA 3.26Å; T56-Q75 WeakPolarHBondContact O-CA 3.33Å; T56-M76 HydrophobicContact CG2-CB 4.19Å; T56-M76 HydrophobicContact CG2-CG 4.3Å; T56-M76 HydrophobicContact CG2-SD 3.82Å; T56-M76 PolarHBondContact O-N 3.11Å; T56-F96 HydrophobicContact CG2-CE1 3.91Å; T56-F96 HydrophobicContact CG2-CZ 4.17Å
57	Y	96.2	Very high	96.7	Very high	43 Å²	43	57.8 Å²	57.8	17%	0.169	34%	0.339	C	S	.	.			trans	-91	53.5	-169.2	-84.4	-73	0	0	0	112.4	L49 H51 N53 I55 Y59 Q115 N116 L117	L49-Y57 PolarHBondContact O-N 2.87Å; H51-Y57 HydrophobicContact CB-CD2 3.48Å; H51-Y57 VanDerWaalsContact CB-CD2 3.48Å; H51-Y57 HydrophobicContact CB-CE2 3.38Å; H51-Y57 AromaticContact CG-CE2 3.67Å; H51-Y57 AromaticContact ND1-CE2 3.91Å; N53-Y57 PolarHBondContact ND2-OH 2.76Å; I55-Y57 HydrophobicContact CB-CD2 4.27Å; I55-Y57 HydrophobicContact CB-CE2 3.86Å; I55-Y57 HydrophobicContact CG2-CD1 4.28Å; I55-Y57 HydrophobicContact CG2-CD2 4.08Å; I55-Y57 HydrophobicContact CG2-CE1 4.15Å; I55-Y57 HydrophobicContact CG2-CE2 3.94Å; I55-Y57 HydrophobicContact CG2-CG 4.32Å; I55-Y57 WeakPolarHBondContact O-CD2 3.37Å; Y57-Y59 HydrophobicContact CD1-CE2 4.2Å; Y57-Q115 WeakPolarHBondContact O-CA 2.86Å; Y57-N116 WeakPolarHBondContact CB-OD1 3.49Å; Y57-N116 WeakPolarHBondContact CD1-OD1 3.45Å; Y57-L117 HydrophobicContact CD2-CD2 3.44Å; Y57-L117 VanDerWaalsContact CD2-CD2 3.44Å; Y57-L117 HydrophobicContact CE2-CD2 4.23Å; Y57-L117 HydrophobicContact CG-CD2 3.81Å
58	L	97.8	Very high	96.8	Very high	0 Å²	0	58 Å²	58	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.1	172.6	-179.7	74.8	0	0	0	110.3	M24 L49 T56 Y74 Q75 M76 F96 C113	M24-L58 HydrophobicContact CE-CD1 3.91Å; L49-L58 HydrophobicContact CD1-CB 4.05Å; L49-L58 HydrophobicContact CD1-CD1 3.81Å; T56-L58 VanDerWaalsContact C-N 3.25Å; T56-L58 HydrophobicContact CG2-CB 4.37Å; T56-L58 PolarHBondContact O-N 2.86Å; L58-Y74 CarbonylContact O-C 3.58Å; L58-Q75 PolarHBondContact O-N 2.8Å; L58-M76 HydrophobicContact CB-SD 4.35Å; L58-M76 HydrophobicContact CD2-SD 3.85Å; L58-M76 PolarHBondContact O-N 2.01Å; L58-M76 VanDerWaalsContact O-N 3.15Å; L58-F96 HydrophobicContact CD1-CB 4.38Å; L58-F96 HydrophobicContact CD1-CD2 3.97Å; L58-F96 HydrophobicContact CD1-CE2 4.43Å; L58-F96 HydrophobicContact CD1-CG 4.07Å; L58-F96 HydrophobicContact CD2-CB 3.61Å; L58-F96 HydrophobicContact CD2-CD1 3.56Å; L58-F96 HydrophobicContact CD2-CD2 4.28Å; L58-F96 HydrophobicContact CD2-CE1 4.27Å; L58-F96 HydrophobicContact CD2-CG 3.54Å; L58-F96 HydrophobicContact CG-CG 4.37Å; L58-C113 HydrophobicContact CD1-CB 4.26Å
59	Y	98.2	Very high	97	Very high	30 Å²	30	58.2 Å²	58.2	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.4	177.2	-64.6	-106.4	0	0	0	109.8	Y57 L71 I73 Y74 C113 A114 N116	Y57-Y59 HydrophobicContact CD1-CE2 4.2Å; Y59-L71 HydrophobicContact CD1-CD1 3.83Å; Y59-I73 CarbonylContact C-O 3.49Å; Y59-I73 VanDerWaalsContact CA-O 3.31Å; Y59-I73 WeakPolarHBondContact CA-O 2.99Å; Y59-Y74 VanDerWaalsContact CE1-CB 3.45Å; Y59-C113 CarbonylContact O-C 3.56Å; Y59-C113 VanDerWaalsContact O-CA 3.29Å; Y59-C113 WeakPolarHBondContact O-CA 3.05Å; Y59-A114 PolarHBondContact N-O 3.44Å; Y59-A114 PolarHBondContact O-N 3.05Å; Y59-N116 HydrophobicContact CE2-CB 4.08Å; Y59-N116 VanDerWaalsContact CE2-OD1 3.25Å; Y59-N116 WeakPolarHBondContact CE2-OD1 3.39Å; Y59-N116 PolarHBondContact OH-ND2 2.95Å
60	W	98.5	Very high	97	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.7	169.9	-70.8	97.3	0	0	0	109.7	I41 C43 L72 I73 S89 L98 Y112 C113	I41-W60 HydrophobicContact CB-CH2 4.49Å; I41-W60 HydrophobicContact CB-CZ3 4.48Å; I41-W60 HydrophobicContact CG2-CH2 4.24Å; I41-W60 HydrophobicContact CG2-CZ3 4.09Å; I41-W60 WeakPolarHBondContact O-CH2 3.4Å; C43-W60 HydrophobicContact CB-CH2 3.54Å; C43-W60 HydrophobicContact CB-CZ2 3.83Å; C43-W60 HydrophobicContact CB-CZ3 4.44Å; W60-L72 HydrophobicContact CB-CB 4.28Å; W60-L72 HydrophobicContact CB-CD2 4.35Å; W60-L72 WeakPolarHBondContact O-CA 3.34Å; W60-L72 WeakPolarHBondContact O-CB 3.19Å; W60-L72 PolarHBondContact O-N 3.48Å; W60-I73 HydrophobicContact CB-CB 4.16Å; W60-I73 PolarHBondContact N-O 3Å; W60-I73 PolarHBondContact O-N 3.35Å; W60-S89 PolarHBondContact NE1-OG 3.4Å; W60-S89 VanDerWaalsContact NE1-OG 3.12Å; W60-L98 HydrophobicContact CB-CD1 4.47Å; W60-L98 HydrophobicContact CD2-CB 3.76Å; W60-L98 HydrophobicContact CD2-CD1 4.3Å; W60-L98 HydrophobicContact CD2-CD2 4.19Å; W60-L98 HydrophobicContact CD2-CG 4.32Å; W60-L98 HydrophobicContact CE3-CB 3.91Å; W60-L98 HydrophobicContact CE3-CD2 3.91Å; W60-L98 HydrophobicContact CE3-CG 4.43Å; W60-L98 HydrophobicContact CG-CB 4.43Å; W60-L98 HydrophobicContact CG-CD1 4.12Å; W60-L98 HydrophobicContact CH2-CB 3.76Å; W60-L98 HydrophobicContact CZ2-CB 3.64Å; W60-L98 HydrophobicContact CZ3-CB 3.9Å; W60-L98 HydrophobicContact CZ3-CD2 4.32Å; W60-Y112 CarbonylContact C-O 3.51Å; W60-Y112 WeakPolarHBondContact CA-O 3.36Å; W60-C113 HydrophobicContact CD2-CB 4.19Å; W60-C113 HydrophobicContact CE3-CB 3.93Å; W60-C113 HydrophobicContact CH2-CB 3.93Å; W60-C113 HydrophobicContact CZ2-CB 4.16Å; W60-C113 HydrophobicContact CZ3-CB 3.81Å
61	Y	98.2	Very high	97.1	Very high	74 Å²	74	61.6 Å²	61.6	29%	0.29	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.3	176.2	-62.7	-95.5	0	0	0	110	P69 Q70 L71 Y111 Y112 A114	Y61-P69 HydrophobicContact CD1-CB 4.49Å; Y61-Q70 CarbonylContact C-O 3.54Å; Y61-Q70 WeakPolarHBondContact CA-O 3.48Å; Y61-L71 HydrophobicContact CD1-CB 4.32Å; Y61-L71 HydrophobicContact CD1-CD1 4.34Å; Y61-L71 HydrophobicContact CE1-CB 4.09Å; Y61-L71 HydrophobicContact CE1-CD1 3.82Å; Y61-L71 HydrophobicContact CE2-CD1 4.44Å; Y61-Y111 CarbonylContact O-C 3.55Å; Y61-Y111 VanDerWaalsContact O-CA 3.29Å; Y61-Y111 WeakPolarHBondContact O-CA 3.25Å; Y61-Y112 PolarHBondContact N-O 2.92Å; Y61-Y112 PolarHBondContact O-N 3.03Å; Y61-A114 HydrophobicContact CD2-CB 4.4Å; Y61-A114 HydrophobicContact CE2-CB 4Å
62	L	97.8	Very high	97.3	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.3	170	172.2	55.7	0	0	0	108.9	K64 Q70 Y111	L62-K64 HydrophobicContact CD2-CG 4.37Å; L62-K64 HydrophobicContact CG-CG 4.25Å; L62-Q70 PolarHBondContact N-O 3.49Å; L62-Q70 PolarHBondContact O-N 2.87Å; L62-Y111 HydrophobicContact CB-CD1 4.24Å; L62-Y111 HydrophobicContact CB-CE1 4.06Å; L62-Y111 HydrophobicContact CD1-CD1 4.08Å; L62-Y111 HydrophobicContact CD1-CD2 4.1Å; L62-Y111 HydrophobicContact CD1-CE1 3.73Å; L62-Y111 HydrophobicContact CD1-CE2 3.74Å; L62-Y111 HydrophobicContact CD1-CG 4.27Å; L62-Y111 HydrophobicContact CD2-CE1 4.19Å; L62-Y111 HydrophobicContact CG-CE1 4.2Å
63	Q	97.9	Very high	97.4	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	107.2	169.8	-170.5	174.5	15.3	0	0	110.1	Q67 P69 G109 V110 Y112	Q63-Q67 VanDerWaalsContact CG-O 3.24Å; Q63-Q67 WeakPolarHBondContact CG-O 3.45Å; Q63-Q67 PolarHBondContact NE2-O 2.83Å; Q63-P69 HydrophobicContact CB-CB 4.39Å; Q63-P69 HydrophobicContact CB-CG 4.2Å; Q63-P69 HydrophobicContact CG-CG 4.2Å; Q63-G109 CarbonylContact O-C 3.59Å; Q63-G109 VanDerWaalsContact O-CA 3.23Å; Q63-G109 WeakPolarHBondContact O-CA 3.26Å; Q63-V110 PolarHBondContact N-O 3.45Å; Q63-V110 PolarHBondContact O-N 2.9Å; Q63-Y112 HydrophobicContact CB-CD2 4.42Å; Q63-Y112 HydrophobicContact CB-CE2 3.8Å; Q63-Y112 PolarHBondContact OE1-OH 3.12Å
64	K	96.5	Very high	97.6	Very high	64 Å²	64	52.7 Å²	52.7	28%	0.278	31%	0.306	S	S	.	.			trans	-75.6	154.9	172.4	-66.7	-173.7	176.6	-170.9	0	110.7	L62 G66 Q67 E106	L62-K64 HydrophobicContact CD2-CG 4.37Å; L62-K64 HydrophobicContact CG-CG 4.25Å; K64-G66 PolarHBondContact O-N 2.88Å; K64-Q67 HydrophobicContact CB-CB 4.25Å; K64-Q67 HydrophobicContact CB-CG 4.2Å; K64-Q67 PolarHBondContact O-N 3.04Å; K64-E106 VanDerWaalsContact CE-O 3.24Å; K64-E106 WeakPolarHBondContact CE-O 3.45Å; K64-E106 PolarHBondContact NZ-O 3.29Å
65	P	96.4	Very high	97.6	Very high	99 Å²	99	53.1 Å²	53.1	64%	0.643	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	128	176.9	-27.5	35.3	0	0	0	112.3	Q67	P65-Q67 PolarHBondContact O-N 2.94Å
66	G	96.9	Very high	97.6	Very high	93 Å²	93	51.9 Å²	51.9	96%	0.959	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	5.2	179.7	0	0	0	0	0	115.6	K64	K64-G66 PolarHBondContact O-N 2.88Å
67	Q	97.3	Very high	97.6	Very high	88 Å²	88	54.1 Å²	54.1	41%	0.411	30%	0.303	S	S	.	.	S	Bend	trans	-110.6	161.2	178.3	-59.3	-171.9	7.7	0	0	111.5	Q63 K64 P65	Q63-Q67 VanDerWaalsContact CG-O 3.24Å; Q63-Q67 WeakPolarHBondContact CG-O 3.45Å; Q63-Q67 PolarHBondContact NE2-O 2.83Å; K64-Q67 HydrophobicContact CB-CB 4.25Å; K64-Q67 HydrophobicContact CB-CG 4.2Å; K64-Q67 PolarHBondContact O-N 3.04Å; P65-Q67 PolarHBondContact O-N 2.94Å
68	S	97.6	Very high	97.7	Very high	82 Å²	82	55.1 Å²	55.1	57%	0.573	31%	0.311	S	S	*	.			trans	-73.7	155.1	166.9	56.5	0	0	0	0	110.8	Q70	S68-Q70 PolarHBondContact O-N 3.42Å
69	P	97.6	Very high	97.7	Very high	66 Å²	66	58 Å²	58	43%	0.429	33%	0.327	S	S	.	.			trans	-55.1	132	171.7	-24	33.7	0	0	0	111.7	Y61 Q63	Y61-P69 HydrophobicContact CD1-CB 4.49Å; Q63-P69 HydrophobicContact CB-CB 4.39Å; Q63-P69 HydrophobicContact CB-CG 4.2Å; Q63-P69 HydrophobicContact CG-CG 4.2Å
70	Q	98.1	Very high	97.8	Very high	104 Å²	104	57.4 Å²	57.4	49%	0.486	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142	176	-66.9	-176.5	-5.5	0	0	110	Y61 L62 S68 L72	Y61-Q70 CarbonylContact C-O 3.54Å; Y61-Q70 WeakPolarHBondContact CA-O 3.48Å; L62-Q70 PolarHBondContact N-O 3.49Å; L62-Q70 PolarHBondContact O-N 2.87Å; S68-Q70 PolarHBondContact O-N 3.42Å; Q70-L72 PolarHBondContact O-N 3.42Å
71	L	98.5	Very high	97.7	Very high	66 Å²	66	63.6 Å²	63.6	35%	0.346	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.5	177.9	-178.3	65.9	0	0	0	110.1	Y59 Y61 Y74 A80	Y59-L71 HydrophobicContact CD1-CD1 3.83Å; Y61-L71 HydrophobicContact CD1-CB 4.32Å; Y61-L71 HydrophobicContact CD1-CD1 4.34Å; Y61-L71 HydrophobicContact CE1-CB 4.09Å; Y61-L71 HydrophobicContact CE1-CD1 3.82Å; Y61-L71 HydrophobicContact CE2-CD1 4.44Å; L71-Y74 HydrophobicContact CD2-CD1 4.23Å; L71-A80 HydrophobicContact CB-CB 4.35Å; L71-A80 HydrophobicContact CD2-CB 4.16Å; L71-A80 HydrophobicContact CG-CB 4Å; L71-A80 VanDerWaalsContact O-CB 3.32Å; L71-A80 WeakPolarHBondContact O-CB 3.29Å
72	L	98.4	Very high	97.7	Very high	8 Å²	8	64 Å²	64	4%	0.042	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-55.9	179.8	-172.3	76	0	0	0	110.9	W60 Q70 A80 V83 F87 L98 Y111	W60-L72 HydrophobicContact CB-CB 4.28Å; W60-L72 HydrophobicContact CB-CD2 4.35Å; W60-L72 WeakPolarHBondContact O-CA 3.34Å; W60-L72 WeakPolarHBondContact O-CB 3.19Å; W60-L72 PolarHBondContact O-N 3.48Å; Q70-L72 PolarHBondContact O-N 3.42Å; L72-A80 PolarHBondContact O-N 3.31Å; L72-V83 HydrophobicContact CD1-CB 4.43Å; L72-V83 HydrophobicContact CD1-CG1 3.45Å; L72-V83 VanDerWaalsContact CD1-CG1 3.45Å; L72-V83 HydrophobicContact CD1-CG2 4.05Å; L72-V83 HydrophobicContact CG-CG1 4.11Å; L72-F87 HydrophobicContact CD1-CD1 4.04Å; L72-F87 HydrophobicContact CD1-CD2 4.21Å; L72-F87 HydrophobicContact CD1-CE1 4.16Å; L72-F87 HydrophobicContact CD1-CE2 4.34Å; L72-F87 HydrophobicContact CD1-CG 4.06Å; L72-F87 HydrophobicContact CD1-CZ 4.31Å; L72-F87 HydrophobicContact CD2-CD1 3.74Å; L72-F87 HydrophobicContact CD2-CE1 4.11Å; L72-F87 HydrophobicContact CD2-CG 4.35Å; L72-F87 HydrophobicContact CG-CD1 4.28Å; L72-F87 HydrophobicContact CG-CG 4.43Å; L72-L98 HydrophobicContact CD2-CD1 3.82Å; L72-L98 HydrophobicContact CD2-CD2 3.87Å; L72-Y111 HydrophobicContact CD2-CD1 4.02Å; L72-Y111 HydrophobicContact CD2-CE1 3.83Å
73	I	98.8	Very high	97.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	178.4	-65.5	172.9	0	0	0	108.5	Y59 W60 N78 L79 L98	Y59-I73 CarbonylContact C-O 3.49Å; Y59-I73 VanDerWaalsContact CA-O 3.31Å; Y59-I73 WeakPolarHBondContact CA-O 2.99Å; W60-I73 HydrophobicContact CB-CB 4.16Å; W60-I73 PolarHBondContact N-O 3Å; W60-I73 PolarHBondContact O-N 3.35Å; I73-N78 CarbonylContact C-O 3.49Å; I73-N78 WeakPolarHBondContact CA-O 2.97Å; I73-N78 WeakPolarHBondContact CG2-O 3.48Å; I73-L79 HydrophobicContact CD1-CD2 4.12Å; I73-L79 HydrophobicContact CG1-CD2 3.7Å; I73-L98 HydrophobicContact CD1-CD1 3.65Å
74	Y	98.2	Very high	97.7	Very high	81 Å²	81	64.1 Å²	64.1	32%	0.318	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.5	172.9	66.5	-82.3	0	0	0	111	L58 Y59 L71 M76 N78	L58-Y74 CarbonylContact O-C 3.58Å; Y59-Y74 VanDerWaalsContact CE1-CB 3.45Å; L71-Y74 HydrophobicContact CD2-CD1 4.23Å; Y74-M76 VanDerWaalsContact C-N 3.31Å; Y74-M76 PolarHBondContact O-N 2.83Å; Y74-N78 HydrophobicContact CD1-CB 3.89Å; Y74-N78 VanDerWaalsContact CD1-O 3.27Å; Y74-N78 WeakPolarHBondContact CD1-O 3.43Å; Y74-N78 HydrophobicContact CD2-CB 3.97Å; Y74-N78 HydrophobicContact CE1-CB 3.53Å; Y74-N78 HydrophobicContact CE2-CB 3.61Å; Y74-N78 HydrophobicContact CG-CB 4.1Å; Y74-N78 PolarHBondContact N-O 3.07Å; Y74-N78 WeakPolarHBondContact O-CB 3.34Å; Y74-N78 PolarHBondContact O-N 3.45Å
75	Q	97.2	Very high	97.8	Very high	63 Å²	63	67.5 Å²	67.5	29%	0.294	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	56.3	178.6	-67	176.5	25.5	0	0	111.7	I55 T56 L58 S77	I55-Q75 HydrophobicContact CG2-CB 3.95Å; I55-Q75 HydrophobicContact CG2-CG 3.68Å; T56-Q75 CarbonylContact O-C 3.28Å; T56-Q75 VanDerWaalsContact O-C 3.28Å; T56-Q75 VanDerWaalsContact O-CA 3.26Å; T56-Q75 WeakPolarHBondContact O-CA 3.33Å; L58-Q75 PolarHBondContact O-N 2.8Å; Q75-S77 PolarHBondContact O-N 3.12Å
76	M	96.7	Very high	97.9	Very high	26 Å²	26	63.6 Å²	63.6	13%	0.128	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-46.9	175.4	-168.9	61.7	-156.8	0	0	116.7	T56 L58 Y74 S89 S90 G91 F96	T56-M76 HydrophobicContact CG2-CB 4.19Å; T56-M76 HydrophobicContact CG2-CG 4.3Å; T56-M76 HydrophobicContact CG2-SD 3.82Å; T56-M76 PolarHBondContact O-N 3.11Å; L58-M76 HydrophobicContact CB-SD 4.35Å; L58-M76 HydrophobicContact CD2-SD 3.85Å; L58-M76 PolarHBondContact O-N 2.01Å; L58-M76 VanDerWaalsContact O-N 3.15Å; Y74-M76 VanDerWaalsContact C-N 3.31Å; Y74-M76 PolarHBondContact O-N 2.83Å; M76-S89 WeakPolarHBondContact O-CB 3.04Å; M76-S89 PolarHBondContact O-OG 2.64Å; M76-S90 VanDerWaalsContact CE-CA 3.45Å; M76-S90 WeakPolarHBondContact CE-O 3.4Å; M76-G91 WeakPolarHBondContact CE-O 3.07Å; M76-F96 HydrophobicContact CE-CD1 3.89Å; M76-F96 HydrophobicContact CE-CE1 4.32Å; M76-F96 HydrophobicContact SD-CD1 3.68Å; M76-F96 HydrophobicContact SD-CE1 3.73Å
77	S	97	Very high	98	Very high	74 Å²	74	59.5 Å²	59.5	52%	0.517	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	-3.3	-169.4	59.4	0	0	0	0	115.6	Q75	Q75-S77 PolarHBondContact O-N 3.12Å
78	N	98.3	Very high	98	Very high	63 Å²	63	57.8 Å²	57.8	34%	0.337	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.4	-178.4	-60.1	-38.9	0	0	0	110.6	I73 Y74	I73-N78 CarbonylContact C-O 3.49Å; I73-N78 WeakPolarHBondContact CA-O 2.97Å; I73-N78 WeakPolarHBondContact CG2-O 3.48Å; Y74-N78 HydrophobicContact CD1-CB 3.89Å; Y74-N78 VanDerWaalsContact CD1-O 3.27Å; Y74-N78 WeakPolarHBondContact CD1-O 3.43Å; Y74-N78 HydrophobicContact CD2-CB 3.97Å; Y74-N78 HydrophobicContact CE1-CB 3.53Å; Y74-N78 HydrophobicContact CE2-CB 3.61Å; Y74-N78 HydrophobicContact CG-CB 4.1Å; Y74-N78 PolarHBondContact N-O 3.07Å; Y74-N78 WeakPolarHBondContact O-CB 3.34Å; Y74-N78 PolarHBondContact O-N 3.45Å
79	L	98.6	Very high	98	Very high	62 Å²	62	54.6 Å²	54.6	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.8	175.7	-68.4	165.3	0	0	0	110.4	I73 V83 F87	I73-L79 HydrophobicContact CD1-CD2 4.12Å; I73-L79 HydrophobicContact CG1-CD2 3.7Å; L79-V83 HydrophobicContact CB-CB 4.37Å; L79-V83 HydrophobicContact CD2-CB 4.26Å; L79-V83 HydrophobicContact CD2-CG1 3.62Å; L79-F87 HydrophobicContact CD2-CB 3.8Å; L79-F87 WeakPolarHBondContact CD2-O 3.17Å
80	A	98.5	Very high	98	Very high	16 Å²	16	54.4 Å²	54.4	13%	0.132	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.4	159.2	170.1	0	0	0	0	0	111.2	L71 L72 G82 V83	L71-A80 HydrophobicContact CB-CB 4.35Å; L71-A80 HydrophobicContact CD2-CB 4.16Å; L71-A80 HydrophobicContact CG-CB 4Å; L71-A80 VanDerWaalsContact O-CB 3.32Å; L71-A80 WeakPolarHBondContact O-CB 3.29Å; L72-A80 PolarHBondContact O-N 3.31Å; A80-G82 PolarHBondContact O-N 3.3Å; A80-V83 HydrophobicContact CB-CG2 3.9Å; A80-V83 WeakPolarHBondContact O-CB 3.18Å; A80-V83 WeakPolarHBondContact O-CG2 3.48Å; A80-V83 PolarHBondContact O-N 3.15Å; A80-V83 VanDerWaalsContact O-N 3.07Å
81	S	98.1	Very high	97.9	Very high	131 Å²	131	51.5 Å²	51.5	92%	0.916	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	129.3	179.9	-59.2	0	0	0	0	112.1	V83	S81-V83 VanDerWaalsContact C-N 3.27Å; S81-V83 PolarHBondContact O-N 3.04Å
82	G	97.5	Very high	97.8	Very high	83 Å²	83	52.6 Å²	52.6	86%	0.856	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-1.7	179.7	0	0	0	0	0	114.9	A80 P84	A80-G82 PolarHBondContact O-N 3.3Å; G82-P84 WeakPolarHBondContact O-CD 3.41Å
83	V	98.1	Very high	97.6	Very high	28 Å²	28	53.7 Å²	53.7	17%	0.17	35%	0.353	C	S	.	.			trans	-77.8	126.6	174.1	-179.8	0	0	0	0	109.8	L72 L79 A80 S81 F87	L72-V83 HydrophobicContact CD1-CB 4.43Å; L72-V83 HydrophobicContact CD1-CG1 3.45Å; L72-V83 VanDerWaalsContact CD1-CG1 3.45Å; L72-V83 HydrophobicContact CD1-CG2 4.05Å; L72-V83 HydrophobicContact CG-CG1 4.11Å; L79-V83 HydrophobicContact CB-CB 4.37Å; L79-V83 HydrophobicContact CD2-CB 4.26Å; L79-V83 HydrophobicContact CD2-CG1 3.62Å; A80-V83 HydrophobicContact CB-CG2 3.9Å; A80-V83 WeakPolarHBondContact O-CB 3.18Å; A80-V83 WeakPolarHBondContact O-CG2 3.48Å; A80-V83 PolarHBondContact O-N 3.15Å; A80-V83 VanDerWaalsContact O-N 3.07Å; S81-V83 VanDerWaalsContact C-N 3.27Å; S81-V83 PolarHBondContact O-N 3.04Å; V83-F87 HydrophobicContact CG1-CB 4.06Å; V83-F87 HydrophobicContact CG1-CD2 3.68Å; V83-F87 HydrophobicContact CG1-CE2 4.45Å; V83-F87 HydrophobicContact CG1-CG 4.07Å
84	P	98.1	Very high	97.5	Very high	49 Å²	49	56 Å²	56	32%	0.318	37%	0.367	S	S	.	.			trans	-61.6	148.9	178.2	-29.1	39.6	0	0	0	114.3	G82 R86 F87	G82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-R86 HydrophobicContact CB-CG 3.83Å; P84-R86 PolarHBondContact O-N 2.82Å; P84-R86 VanDerWaalsContact O-N 3.15Å; P84-F87 HydrophobicContact CB-CD2 4.27Å; P84-F87 HydrophobicContact CB-CE2 4.45Å; P84-F87 HydrophobicContact CG-CE2 4.43Å; P84-F87 WeakPolarHBondContact O-CD2 3.48Å; P84-F87 PolarHBondContact O-N 2.82Å; P84-F87 VanDerWaalsContact O-N 3.16Å
85	D	97.8	Very high	97.5	Very high	135 Å²	135	55.5 Å²	55.5	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.3	-179.9	68.1	-11.3	0	0	0	114.6	F87	D85-F87 PolarHBondContact O-N 2.98Å
86	R	98.1	Very high	97.5	Very high	17 Å²	17	52.6 Å²	52.6	6%	0.064	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.1	170.5	62.7	173.5	-179	-101.9	6.9	112.8	P84 I100 S101 R102 E104 E106 D107	P84-R86 HydrophobicContact CB-CG 3.83Å; P84-R86 PolarHBondContact O-N 2.82Å; P84-R86 VanDerWaalsContact O-N 3.15Å; R86-I100 HydrophobicContact CG-CG2 4.43Å; R86-I100 CarbonylContact O-C 3.48Å; R86-I100 WeakPolarHBondContact O-CA 3.39Å; R86-S101 WeakPolarHBondContact CA-OG 3.33Å; R86-S101 WeakPolarHBondContact CB-OG 3.33Å; R86-S101 PolarHBondContact O-N 3.41Å; R86-S101 PolarHBondContact O-OG 3.36Å; R86-R102 WeakPolarHBondContact CD-O 3.46Å; R86-E104 IonicContact CZ-OE1 2.81Å; R86-E104 IonicContact CZ-OE2 3.53Å; R86-E104 VanDerWaalsContact CZ-OE2 3.3Å; R86-E104 IonicContact NH1-OE1 2.76Å; R86-E104 PolarHBondContact NH1-OE1 3.19Å; R86-E104 VanDerWaalsContact NH1-OE1 3.1Å; R86-E104 IonicContact NH1-OE2 3.59Å; R86-E104 PolarHBondContact NH1-OE2 2.88Å; R86-E104 IonicContact NH2-OE2 3.4Å; R86-E104 PolarHBondContact NH2-OE2 2.99Å; R86-E106 IonicContact CZ-OE1 3.4Å; R86-E106 IonicContact NH1-OE1 2.76Å; R86-E106 IonicContact NH2-OE1 2.85Å; R86-E106 PolarHBondContact NH2-OE1 3.07Å; R86-D107 IonicContact CZ-OD1 3.91Å; R86-D107 IonicContact NE-OD1 3.3Å; R86-D107 PolarHBondContact NE-OD1 3.25Å; R86-D107 IonicContact NE-OD2 3.1Å; R86-D107 PolarHBondContact NE-OD2 3.04Å; R86-D107 IonicContact NH2-OD1 3.63Å; R86-D107 PolarHBondContact NH2-OD1 2.96Å; R86-D107 IonicContact NH2-OD2 3.75Å
87	F	98.6	Very high	97.5	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.6	174.6	-67.1	-82.3	0	0	0	110.7	L72 L79 V83 P84 D85 R99 I100 D107 Y111	L72-F87 HydrophobicContact CD1-CD1 4.04Å; L72-F87 HydrophobicContact CD1-CD2 4.21Å; L72-F87 HydrophobicContact CD1-CE1 4.16Å; L72-F87 HydrophobicContact CD1-CE2 4.34Å; L72-F87 HydrophobicContact CD1-CG 4.06Å; L72-F87 HydrophobicContact CD1-CZ 4.31Å; L72-F87 HydrophobicContact CD2-CD1 3.74Å; L72-F87 HydrophobicContact CD2-CE1 4.11Å; L72-F87 HydrophobicContact CD2-CG 4.35Å; L72-F87 HydrophobicContact CG-CD1 4.28Å; L72-F87 HydrophobicContact CG-CG 4.43Å; L79-F87 HydrophobicContact CD2-CB 3.8Å; L79-F87 WeakPolarHBondContact CD2-O 3.17Å; V83-F87 HydrophobicContact CG1-CB 4.06Å; V83-F87 HydrophobicContact CG1-CD2 3.68Å; V83-F87 HydrophobicContact CG1-CE2 4.45Å; V83-F87 HydrophobicContact CG1-CG 4.07Å; P84-F87 HydrophobicContact CB-CD2 4.27Å; P84-F87 HydrophobicContact CB-CE2 4.45Å; P84-F87 HydrophobicContact CG-CE2 4.43Å; P84-F87 WeakPolarHBondContact O-CD2 3.48Å; P84-F87 PolarHBondContact O-N 2.82Å; P84-F87 VanDerWaalsContact O-N 3.16Å; D85-F87 PolarHBondContact O-N 2.98Å; F87-R99 WeakPolarHBondContact CA-O 3.32Å; F87-I100 HydrophobicContact CD1-CD1 4.34Å; F87-I100 HydrophobicContact CD1-CG1 3.82Å; F87-I100 HydrophobicContact CD1-CG2 4.49Å; F87-I100 HydrophobicContact CE1-CD1 3.68Å; F87-I100 HydrophobicContact CE1-CG1 3.65Å; F87-I100 HydrophobicContact CE1-CG2 4.2Å; F87-I100 HydrophobicContact CZ-CD1 4.49Å; F87-I100 HydrophobicContact CZ-CG2 4.5Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.34Å; F87-Y111 AromaticContact CE1-CE1 3.96Å; F87-Y111 HydrophobicContact CE1-CE1 3.96Å
88	S	98.3	Very high	97.6	Very high	53 Å²	53	49.8 Å²	49.8	37%	0.371	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156.3	175.3	54.2	0	0	0	0	110.2	L98 R99	S88-L98 CarbonylContact O-C 3.57Å; S88-L98 WeakPolarHBondContact O-CD1 3.49Å; S88-R99 PolarHBondContact N-O 3.24Å; S88-R99 PolarHBondContact O-N 3.49Å; S88-R99 PolarHBondContact OG-O 3.48Å
89	S	98.3	Very high	97.5	Very high	15 Å²	15	52.7 Å²	52.7	11%	0.105	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.1	177.2	166.6	0	0	0	0	109.8	W60 M76 T97	W60-S89 PolarHBondContact NE1-OG 3.4Å; W60-S89 VanDerWaalsContact NE1-OG 3.12Å; M76-S89 WeakPolarHBondContact O-CB 3.04Å; M76-S89 PolarHBondContact O-OG 2.64Å; S89-T97 WeakPolarHBondContact CA-O 3.22Å
90	S	97.4	Very high	97.5	Very high	62 Å²	62	50.1 Å²	50.1	43%	0.434	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.5	-173.4	62.2	0	0	0	0	110.7	M76 F96 T97	M76-S90 VanDerWaalsContact CE-CA 3.45Å; M76-S90 WeakPolarHBondContact CE-O 3.4Å; S90-F96 CarbonylContact O-C 3.56Å; S90-F96 WeakPolarHBondContact O-CA 3.31Å; S90-T97 PolarHBondContact N-O 3.25Å; S90-T97 PolarHBondContact O-N 3.12Å; S90-T97 PolarHBondContact OG-O 3.46Å
91	G	96.3	Very high	97.5	Very high	42 Å²	42	51.5 Å²	51.5	43%	0.433	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.2	177.9	-175.1	0	0	0	0	0	113.8	M76 D95	M76-G91 WeakPolarHBondContact CE-O 3.07Å; G91-D95 CarbonylContact C-O 3.57Å; G91-D95 WeakPolarHBondContact CA-O 3.48Å
92	S	94.7	Very high	97.4	Very high	90 Å²	90	52 Å²	52	63%	0.629	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-167.5	159.2	-178.9	61	0	0	0	0	110.2	T94 D95	S92-T94 PolarHBondContact O-N 2.87Å; S92-D95 PolarHBondContact N-O 2.73Å; S92-D95 VanDerWaalsContact N-O 3.11Å; S92-D95 PolarHBondContact O-N 2.76Å
93	G	94.2	Very high	97.5	Very high	30 Å²	30	48.8 Å²	48.8	31%	0.309	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	-105.4	-179.4	0	0	0	0	0	110.2	S48 L49 F96	S48-G93 WeakPolarHBondContact CA-O 3.33Å; L49-G93 PolarHBondContact N-O 3.29Å; G93-F96 WeakPolarHBondContact O-CZ 3.45Å
94	T	97	Very high	97.4	Very high	49 Å²	49	50.7 Å²	50.7	30%	0.301	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-12.3	-174.8	49.3	0	0	0	0	114.8	R44 S45 S92	R44-T94 CarbonylContact C-O 3.54Å; R44-T94 WeakPolarHBondContact CA-O 3.38Å; S45-T94 PolarHBondContact N-O 2.83Å; S45-T94 WeakPolarHBondContact O-CB 3.39Å; S45-T94 WeakPolarHBondContact O-CG2 3.21Å; S45-T94 WeakPolarHBondContact OG-CA 3.4Å; S92-T94 PolarHBondContact O-N 2.87Å
95	D	97.9	Very high	97.3	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.9	-170.4	-64.4	-94.7	0	0	0	110.4	R44 G91 S92	R44-D95 IonicContact CZ-OD1 2.88Å; R44-D95 VanDerWaalsContact CZ-OD1 3.31Å; R44-D95 IonicContact NE-OD1 3.31Å; R44-D95 PolarHBondContact NE-OD1 3.02Å; R44-D95 IonicContact NH2-OD1 2.76Å; R44-D95 PolarHBondContact NH2-OD1 3.13Å; G91-D95 CarbonylContact C-O 3.57Å; G91-D95 WeakPolarHBondContact CA-O 3.48Å; S92-D95 PolarHBondContact N-O 2.73Å; S92-D95 VanDerWaalsContact N-O 3.11Å; S92-D95 PolarHBondContact O-N 2.76Å
96	F	97.8	Very high	97.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.4	-171.9	-55.2	-73.4	0	0	0	111.1	S42 C43 L49 T56 L58 M76 S90 G93	S42-F96 WeakPolarHBondContact CA-O 3.13Å; C43-F96 HydrophobicContact CB-CB 4.4Å; C43-F96 PolarHBondContact N-O 2.91Å; C43-F96 PolarHBondContact O-N 2.97Å; C43-F96 VanDerWaalsContact O-O 3.13Å; L49-F96 HydrophobicContact CB-CE2 4.38Å; L49-F96 HydrophobicContact CB-CZ 3.95Å; L49-F96 HydrophobicContact CD1-CD2 4.29Å; L49-F96 HydrophobicContact CD1-CE2 3.5Å; L49-F96 HydrophobicContact CD1-CZ 3.8Å; L49-F96 HydrophobicContact CG-CE2 3.82Å; L49-F96 HydrophobicContact CG-CZ 3.91Å; T56-F96 HydrophobicContact CG2-CE1 3.91Å; T56-F96 HydrophobicContact CG2-CZ 4.17Å; L58-F96 HydrophobicContact CD1-CB 4.38Å; L58-F96 HydrophobicContact CD1-CD2 3.97Å; L58-F96 HydrophobicContact CD1-CE2 4.43Å; L58-F96 HydrophobicContact CD1-CG 4.07Å; L58-F96 HydrophobicContact CD2-CB 3.61Å; L58-F96 HydrophobicContact CD2-CD1 3.56Å; L58-F96 HydrophobicContact CD2-CD2 4.28Å; L58-F96 HydrophobicContact CD2-CE1 4.27Å; L58-F96 HydrophobicContact CD2-CG 3.54Å; L58-F96 HydrophobicContact CG-CG 4.37Å; M76-F96 HydrophobicContact CE-CD1 3.89Å; M76-F96 HydrophobicContact CE-CE1 4.32Å; M76-F96 HydrophobicContact SD-CD1 3.68Å; M76-F96 HydrophobicContact SD-CE1 3.73Å; S90-F96 CarbonylContact O-C 3.56Å; S90-F96 WeakPolarHBondContact O-CA 3.31Å; G93-F96 WeakPolarHBondContact O-CZ 3.45Å
97	T	97.5	Very high	97.1	Very high	40 Å²	40	49.1 Å²	49.1	25%	0.245	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	121.6	-179.6	-62.6	0	0	0	0	110.4	I41 S89 S90	I41-T97 CarbonylContact O-C 3.57Å; I41-T97 WeakPolarHBondContact O-CA 3.42Å; S89-T97 WeakPolarHBondContact CA-O 3.22Å; S90-T97 PolarHBondContact N-O 3.25Å; S90-T97 PolarHBondContact O-N 3.12Å; S90-T97 PolarHBondContact OG-O 3.46Å
98	L	97.9	Very high	96.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.3	162.7	179.4	69.5	0	0	0	108.5	S40 I41 W60 L72 I73 S88 Y111	S40-L98 CarbonylContact C-O 3.59Å; S40-L98 WeakPolarHBondContact CA-O 3.19Å; I41-L98 HydrophobicContact CB-CB 4.35Å; I41-L98 HydrophobicContact CD1-CD2 4.35Å; I41-L98 PolarHBondContact N-O 2.76Å; I41-L98 PolarHBondContact O-N 3.24Å; W60-L98 HydrophobicContact CB-CD1 4.47Å; W60-L98 HydrophobicContact CD2-CB 3.76Å; W60-L98 HydrophobicContact CD2-CD1 4.3Å; W60-L98 HydrophobicContact CD2-CD2 4.19Å; W60-L98 HydrophobicContact CD2-CG 4.32Å; W60-L98 HydrophobicContact CE3-CB 3.91Å; W60-L98 HydrophobicContact CE3-CD2 3.91Å; W60-L98 HydrophobicContact CE3-CG 4.43Å; W60-L98 HydrophobicContact CG-CB 4.43Å; W60-L98 HydrophobicContact CG-CD1 4.12Å; W60-L98 HydrophobicContact CH2-CB 3.76Å; W60-L98 HydrophobicContact CZ2-CB 3.64Å; W60-L98 HydrophobicContact CZ3-CB 3.9Å; W60-L98 HydrophobicContact CZ3-CD2 4.32Å; L72-L98 HydrophobicContact CD2-CD1 3.82Å; L72-L98 HydrophobicContact CD2-CD2 3.87Å; I73-L98 HydrophobicContact CD1-CD1 3.65Å; S88-L98 CarbonylContact O-C 3.57Å; S88-L98 WeakPolarHBondContact O-CD1 3.49Å; L98-Y111 HydrophobicContact CD2-CD1 3.37Å; L98-Y111 HydrophobicContact CD2-CE1 3.86Å; L98-Y111 HydrophobicContact CD2-CG 4.05Å
99	R	97.4	Very high	96.8	Very high	124 Å²	124	52.5 Å²	52.5	47%	0.468	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.4	175.9	-180	176	-175.3	155.4	3	110.5	A39 F87 S88	A39-R99 WeakPolarHBondContact O-CA 3.36Å; F87-R99 WeakPolarHBondContact CA-O 3.32Å; S88-R99 PolarHBondContact N-O 3.24Å; S88-R99 PolarHBondContact O-N 3.49Å; S88-R99 PolarHBondContact OG-O 3.48Å
100	I	97.9	Very high	96.6	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.4	169.6	-46.2	177.4	0	0	0	106	S38 A39 R86 F87 V103 Y111	S38-I100 CarbonylContact C-O 3.57Å; S38-I100 WeakPolarHBondContact CA-O 3.45Å; S38-I100 WeakPolarHBondContact CB-O 3.12Å; A39-I100 PolarHBondContact N-O 2.93Å; A39-I100 PolarHBondContact O-N 3.37Å; R86-I100 HydrophobicContact CG-CG2 4.43Å; R86-I100 CarbonylContact O-C 3.48Å; R86-I100 WeakPolarHBondContact O-CA 3.39Å; F87-I100 HydrophobicContact CD1-CD1 4.34Å; F87-I100 HydrophobicContact CD1-CG1 3.82Å; F87-I100 HydrophobicContact CD1-CG2 4.49Å; F87-I100 HydrophobicContact CE1-CD1 3.68Å; F87-I100 HydrophobicContact CE1-CG1 3.65Å; F87-I100 HydrophobicContact CE1-CG2 4.2Å; F87-I100 HydrophobicContact CZ-CD1 4.49Å; F87-I100 HydrophobicContact CZ-CG2 4.5Å; I100-V103 HydrophobicContact CB-CG2 3.93Å; I100-V103 HydrophobicContact CD1-CG2 4.43Å; I100-V103 HydrophobicContact CG2-CG2 3.8Å; I100-Y111 HydrophobicContact CD1-CE1 4.45Å; I100-Y111 HydrophobicContact CD1-CE2 4.45Å
101	S	97.7	Very high	96.6	Very high	45 Å²	45	53.5 Å²	53.5	32%	0.315	31%	0.314	S	S	.	.	S	Bend	trans	-76.3	-36.6	-173.5	65.3	0	0	0	0	113	T37 S38 R86	T37-S101 CarbonylContact C-O 3.57Å; S38-S101 WeakPolarHBondContact CA-O 3.39Å; S38-S101 PolarHBondContact N-O 2.99Å; S38-S101 PolarHBondContact OG-O 3.46Å; R86-S101 WeakPolarHBondContact CA-OG 3.33Å; R86-S101 WeakPolarHBondContact CB-OG 3.33Å; R86-S101 PolarHBondContact O-N 3.41Å; R86-S101 PolarHBondContact O-OG 3.36Å
102	R	97.8	Very high	96.6	Very high	141 Å²	141	55.8 Å²	55.8	53%	0.532	31%	0.31	S	S	.	.	S	Bend	trans	-135.3	105.6	174.5	-66.9	-172.1	-61.1	-115.5	-4.1	109.1	R86	R86-R102 WeakPolarHBondContact CD-O 3.46Å
103	V	97.8	Very high	96.7	Very high	16 Å²	16	51.9 Å²	51.9	10%	0.097	28%	0.283	C	S	.	.			trans	-73.9	133.2	-178.2	173.8	0	0	0	0	110.7	V33 L35 G36 T37 A39 I100 D107	V33-V103 HydrophobicContact CG1-CB 3.82Å; V33-V103 HydrophobicContact CG1-CG1 3.68Å; V33-V103 HydrophobicContact CG1-CG2 3.61Å; L35-V103 CarbonylContact C-O 3.54Å; L35-V103 WeakPolarHBondContact CA-O 3.23Å; L35-V103 HydrophobicContact CD2-CG1 4.3Å; G36-V103 PolarHBondContact N-O 3.1Å; T37-V103 WeakPolarHBondContact O-CG2 3.41Å; T37-V103 PolarHBondContact O-N 2.83Å; A39-V103 HydrophobicContact CB-CG2 3.72Å; I100-V103 HydrophobicContact CB-CG2 3.93Å; I100-V103 HydrophobicContact CD1-CG2 4.43Å; I100-V103 HydrophobicContact CG2-CG2 3.8Å; V103-D107 HydrophobicContact CG1-CB 4.38Å
104	E	97.9	Very high	96.9	Very high	69 Å²	69	52 Å²	52	32%	0.322	28%	0.281	S	S	.	.			trans	-117	165.1	179	-67.6	171.8	-155.2	0	0	111	R86 E106 D107	R86-E104 IonicContact CZ-OE1 2.81Å; R86-E104 IonicContact CZ-OE2 3.53Å; R86-E104 VanDerWaalsContact CZ-OE2 3.3Å; R86-E104 IonicContact NH1-OE1 2.76Å; R86-E104 PolarHBondContact NH1-OE1 3.19Å; R86-E104 VanDerWaalsContact NH1-OE1 3.1Å; R86-E104 IonicContact NH1-OE2 3.59Å; R86-E104 PolarHBondContact NH1-OE2 2.88Å; R86-E104 IonicContact NH2-OE2 3.4Å; R86-E104 PolarHBondContact NH2-OE2 2.99Å; E104-E106 WeakPolarHBondContact CB-OE2 3.16Å; E104-E106 PolarHBondContact O-N 3.29Å; E104-D107 PolarHBondContact N-OD2 3.17Å; E104-D107 WeakPolarHBondContact O-CB 3.5Å; E104-D107 PolarHBondContact O-N 3.29Å; E104-D107 VanDerWaalsContact O-N 3.13Å
105	A	95.9	Very high	96.8	Very high	69 Å²	69	50.9 Å²	50.9	57%	0.57	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-65.5	-28.2	-174.5	0	0	0	0	0	112.5	D107 V108	A105-D107 PolarHBondContact O-N 3.31Å; A105-V108 WeakPolarHBondContact O-CG2 3.34Å
106	E	95.8	Very high	96.6	Very high	87 Å²	87	50.7 Å²	50.7	41%	0.407	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-78	-4.6	176.6	73.9	-87.9	-163.2	0	0	114.8	K64 R86 E104 V108	K64-E106 VanDerWaalsContact CE-O 3.24Å; K64-E106 WeakPolarHBondContact CE-O 3.45Å; K64-E106 PolarHBondContact NZ-O 3.29Å; R86-E106 IonicContact CZ-OE1 3.4Å; R86-E106 IonicContact NH1-OE1 2.76Å; R86-E106 IonicContact NH2-OE1 2.85Å; R86-E106 PolarHBondContact NH2-OE1 3.07Å; E104-E106 WeakPolarHBondContact CB-OE2 3.16Å; E104-E106 PolarHBondContact O-N 3.29Å; E106-V108 PolarHBondContact O-N 3.48Å
107	D	96	Very high	96.2	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.064	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-80.2	1	176.8	-61	-23.6	0	0	0	111.9	R86 F87 V103 E104 A105 G109 Y111	R86-D107 IonicContact CZ-OD1 3.91Å; R86-D107 IonicContact NE-OD1 3.3Å; R86-D107 PolarHBondContact NE-OD1 3.25Å; R86-D107 IonicContact NE-OD2 3.1Å; R86-D107 PolarHBondContact NE-OD2 3.04Å; R86-D107 IonicContact NH2-OD1 3.63Å; R86-D107 PolarHBondContact NH2-OD1 2.96Å; R86-D107 IonicContact NH2-OD2 3.75Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.34Å; V103-D107 HydrophobicContact CG1-CB 4.38Å; E104-D107 PolarHBondContact N-OD2 3.17Å; E104-D107 WeakPolarHBondContact O-CB 3.5Å; E104-D107 PolarHBondContact O-N 3.29Å; E104-D107 VanDerWaalsContact O-N 3.13Å; A105-D107 PolarHBondContact O-N 3.31Å; D107-G109 PolarHBondContact O-N 2.84Å; D107-Y111 PolarHBondContact O-OH 3.45Å; D107-Y111 VanDerWaalsContact O-OH 3.06Å
108	V	94.6	Very high	95.5	Very high	100 Å²	100	54.1 Å²	54.1	61%	0.606	29%	0.286	S	S	*	.			trans	-65.1	117.2	174.8	174.8	0	0	0	0	110.4	A105 E106	A105-V108 WeakPolarHBondContact O-CG2 3.34Å; E106-V108 PolarHBondContact O-N 3.48Å
109	G	94.9	Very high	94.3	Very high	30 Å²	30	60.9 Å²	60.9	31%	0.309	32%	0.321	S	S	.	.	S	Bend	trans	173.4	-175.3	175.9	0	0	0	0	0	112.5	Q63 D107	Q63-G109 CarbonylContact O-C 3.59Å; Q63-G109 VanDerWaalsContact O-CA 3.23Å; Q63-G109 WeakPolarHBondContact O-CA 3.26Å; D107-G109 PolarHBondContact O-N 2.84Å
110	V	95.2	Very high	92.5	Very high	76 Å²	76	63.8 Å²	63.8	46%	0.461	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.2	173.7	-170.9	0	0	0	0	109	Q63 Y112	Q63-V110 PolarHBondContact N-O 3.45Å; Q63-V110 PolarHBondContact O-N 2.9Å; V110-Y112 HydrophobicContact CB-CE2 3.9Å; V110-Y112 HydrophobicContact CG1-CD1 4.48Å; V110-Y112 HydrophobicContact CG1-CD2 4.43Å; V110-Y112 HydrophobicContact CG1-CE1 3.78Å; V110-Y112 HydrophobicContact CG1-CE2 3.72Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.27Å
111	Y	96.7	Very high	92.2	Very high	22 Å²	22	66.6 Å²	66.6	9%	0.086	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.7	179.8	-68.6	-95.5	0	0	0	110.7	Q26 I41 Y61 L62 L72 F87 L98 I100 D107	Q26-Y111 PolarHBondContact NE2-O 2.84Å; I41-Y111 HydrophobicContact CD1-CD1 4.41Å; I41-Y111 HydrophobicContact CD1-CD2 3.53Å; I41-Y111 HydrophobicContact CD1-CE2 4.28Å; I41-Y111 HydrophobicContact CD1-CG 3.6Å; Y61-Y111 CarbonylContact O-C 3.55Å; Y61-Y111 VanDerWaalsContact O-CA 3.29Å; Y61-Y111 WeakPolarHBondContact O-CA 3.25Å; L62-Y111 HydrophobicContact CB-CD1 4.24Å; L62-Y111 HydrophobicContact CB-CE1 4.06Å; L62-Y111 HydrophobicContact CD1-CD1 4.08Å; L62-Y111 HydrophobicContact CD1-CD2 4.1Å; L62-Y111 HydrophobicContact CD1-CE1 3.73Å; L62-Y111 HydrophobicContact CD1-CE2 3.74Å; L62-Y111 HydrophobicContact CD1-CG 4.27Å; L62-Y111 HydrophobicContact CD2-CE1 4.19Å; L62-Y111 HydrophobicContact CG-CE1 4.2Å; L72-Y111 HydrophobicContact CD2-CD1 4.02Å; L72-Y111 HydrophobicContact CD2-CE1 3.83Å; F87-Y111 AromaticContact CE1-CE1 3.96Å; F87-Y111 HydrophobicContact CE1-CE1 3.96Å; L98-Y111 HydrophobicContact CD2-CD1 3.37Å; L98-Y111 HydrophobicContact CD2-CE1 3.86Å; L98-Y111 HydrophobicContact CD2-CG 4.05Å; I100-Y111 HydrophobicContact CD1-CE1 4.45Å; I100-Y111 HydrophobicContact CD1-CE2 4.45Å; D107-Y111 PolarHBondContact O-OH 3.45Å; D107-Y111 VanDerWaalsContact O-OH 3.06Å
112	Y	96.8	Very high	91.9	Very high	90 Å²	90	67.7 Å²	67.7	35%	0.353	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.2	179.7	-58	-79.5	0	0	0	110.5	W60 Y61 Q63 V110	W60-Y112 CarbonylContact C-O 3.51Å; W60-Y112 WeakPolarHBondContact CA-O 3.36Å; Y61-Y112 PolarHBondContact N-O 2.92Å; Y61-Y112 PolarHBondContact O-N 3.03Å; Q63-Y112 HydrophobicContact CB-CD2 4.42Å; Q63-Y112 HydrophobicContact CB-CE2 3.8Å; Q63-Y112 PolarHBondContact OE1-OH 3.12Å; V110-Y112 HydrophobicContact CB-CE2 3.9Å; V110-Y112 HydrophobicContact CG1-CD1 4.48Å; V110-Y112 HydrophobicContact CG1-CD2 4.43Å; V110-Y112 HydrophobicContact CG1-CE1 3.78Å; V110-Y112 HydrophobicContact CG1-CE2 3.72Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.27Å
113	C	97.3	Very high	91.6	Very high	9 Å²	9	63.6 Å²	63.6	6%	0.061	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142	163	62.8	0	0	0	0	110.1	M24 Q26 C43 L58 Y59 W60	M24-C113 HydrophobicContact CE-CB 4.31Å; Q26-C113 VanDerWaalsContact CD-SG 3.5Å; Q26-C113 WeakPolarHBondContact CG-SG 3.1Å; C43-C113 HydrophobicContact CB-CB 3.56Å; C43-C113 WeakPolarHBondContact CB-SG 3.45Å; C43-C113 WeakPolarHBondContact SG-CB 3.32Å; C43-C113 CovalentContact SG-SG 2.01Å; C43-C113 PolarHBondContact SG-SG 2.92Å; L58-C113 HydrophobicContact CD1-CB 4.26Å; Y59-C113 CarbonylContact O-C 3.56Å; Y59-C113 VanDerWaalsContact O-CA 3.29Å; Y59-C113 WeakPolarHBondContact O-CA 3.05Å; W60-C113 HydrophobicContact CD2-CB 4.19Å; W60-C113 HydrophobicContact CE3-CB 3.93Å; W60-C113 HydrophobicContact CH2-CB 3.93Å; W60-C113 HydrophobicContact CZ2-CB 4.16Å; W60-C113 HydrophobicContact CZ3-CB 3.81Å
114	A	96.6	Very high	91.3	Very high	32 Å²	32	66.4 Å²	66.4	26%	0.264	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166	176.7	0	0	0	0	0	110.9	Y59 Y61	Y59-A114 PolarHBondContact N-O 3.44Å; Y59-A114 PolarHBondContact O-N 3.05Å; Y61-A114 HydrophobicContact CD2-CB 4.4Å; Y61-A114 HydrophobicContact CE2-CB 4Å
115	Q	95.5	Very high	90.8	Very high	26 Å²	26	66.3 Å²	66.3	12%	0.121	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.6	175.3	63.7	79.4	29	0	0	110	I22 M24 L49 Y57 E118	I22-Q115 HydrophobicContact CB-CG 3.96Å; I22-Q115 HydrophobicContact CD1-CG 4.45Å; I22-Q115 HydrophobicContact CG2-CG 3.73Å; M24-Q115 HydrophobicContact CG-CG 4.19Å; M24-Q115 HydrophobicContact SD-CB 4.1Å; M24-Q115 HydrophobicContact SD-CG 3.81Å; L49-Q115 HydrophobicContact CD1-CB 3.96Å; L49-Q115 HydrophobicContact CD2-CB 3.62Å; L49-Q115 HydrophobicContact CD2-CG 4.07Å; L49-Q115 HydrophobicContact CG-CB 4.44Å; Y57-Q115 WeakPolarHBondContact O-CA 2.86Å; Q115-E118 PolarHBondContact NE2-O 3.43Å
116	N	92.9	Very high	90.5	Very high	66 Å²	66	66.1 Å²	66.1	35%	0.353	37%	0.373	S	S	.	.	S	Bend	trans	-129.4	26	177.2	76.4	-25.7	0	0	0	113.4	Y57 Y59	Y57-N116 WeakPolarHBondContact CB-OD1 3.49Å; Y57-N116 WeakPolarHBondContact CD1-OD1 3.45Å; Y59-N116 HydrophobicContact CE2-CB 4.08Å; Y59-N116 VanDerWaalsContact CE2-OD1 3.25Å; Y59-N116 WeakPolarHBondContact CE2-OD1 3.39Å; Y59-N116 PolarHBondContact OH-ND2 2.95Å
117	L	90.7	Very high	90.1	Very high	55 Å²	55	64.6 Å²	64.6	29%	0.288	37%	0.371	S	S	.	.	S	Bend	trans	-80.2	-48.9	171.9	-64.4	-177.4	0	0	0	112.5	I22 L49 H51 Y57	I22-L117 HydrophobicContact CD1-CB 3.85Å; I22-L117 HydrophobicContact CD1-CD1 4.11Å; L49-L117 HydrophobicContact CB-CD1 4.37Å; L49-L117 HydrophobicContact CD2-CD1 4.15Å; H51-L117 HydrophobicContact CB-CD2 3.87Å; Y57-L117 HydrophobicContact CD2-CD2 3.44Å; Y57-L117 VanDerWaalsContact CD2-CD2 3.44Å; Y57-L117 HydrophobicContact CE2-CD2 4.23Å; Y57-L117 HydrophobicContact CG-CD2 3.81Å
118	E	82.4	Confident	89.7	Confident	59 Å²	59	68.6 Å²	68.6	28%	0.276	39%	0.394	S	S	.	.	S	Bend	trans	-117	117.5	-179.1	-67.6	179.2	-177.9	0	0	107.6	A20 D21 I22 K47 Q115	A20-E118 VanDerWaalsContact C-OE2 3.28Å; D21-E118 WeakPolarHBondContact CA-OE2 3.34Å; I22-E118 HydrophobicContact CD1-CB 4.02Å; I22-E118 HydrophobicContact CD1-CG 3.77Å; I22-E118 HydrophobicContact CG1-CB 4.35Å; I22-E118 HydrophobicContact CG1-CG 4.23Å; I22-E118 WeakPolarHBondContact CG1-OE2 3.44Å; I22-E118 PolarHBondContact N-OE2 2.99Å; K47-E118 IonicContact NZ-OE1 3.5Å; K47-E118 PolarHBondContact NZ-OE1 3.43Å; K47-E118 IonicContact NZ-OE2 2.83Å; K47-E118 PolarHBondContact NZ-OE2 3.46Å; Q115-E118 PolarHBondContact NE2-O 3.43Å
119	L	72.6	Confident	89.3	Confident	142 Å²	142	66 Å²	66	74%	0.743	38%	0.376	S	S	*	.			trans	-102.2	142.7	173.4	-64.5	174.1	0	0	0	108.2
120	P	59.7	Low	88.8	Confident	185 Å²	185	69.3 Å²	69.3	100%	1.201	38%	0.383	S	S	*	.			trans	-55.2	0	175.7	-23	32.2	0	0	0	114.1

Retrieved 120 of 120 residues in 85.6 ms (Link to these results)

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