A0A075B5P1_MOUSE Loading...

Immunoglobulin kappa variable 3-1

AlphaFold DB , UniProt , Accession A0A075B5P1, Species MOUSE (Mus musculus, Mouse), Gene Igkv3-1, Length 119 aa.

						>A0A075B5P1_MOUSE|A0A075B5P1|Igkv3-1
MESDTLLLWVLLLWVPGSTGDIVLTQSPASLAVSLGQRATISCRASESVEYYGTSLMQWYQQKPGQPPKLLIYAASNVESGVPARFSGSGSGTDFSLNIHPVEEDDIAMYFCQQSRKVP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	55.1	Low	244 Å²	244	143.6 Å²	143.6	100%	1.202	74%	0.739	S	S	*	*				0	74.8	0	-74.3	154	67.7	0	0	106.1
2	E	47.7	Very low	55.6	Low	196 Å²	196	144.8 Å²	144.8	92%	0.916	75%	0.746	S	S	*	*			trans	-109.2	138.8	174	-66.4	162.2	107.6	0	0	103.7
3	S	55.2	Low	55.9	Low	89 Å²	89	143.9 Å²	143.9	62%	0.622	74%	0.742	S	S	*	*			cis	-164.6	133.4	7.1	174.5	0	0	0	0	104.3	T5	S3-T5 PolarHBondContact O-N 3.28Å; S3-T5 PolarHBondContact OG-OG1 3.25Å
4	D	57.6	Low	55.9	Low	153 Å²	153	150.4 Å²	150.4	82%	0.818	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	35.9	179.7	-70.9	-44.5	0	0	0	113.5
5	T	58.1	Low	56.4	Low	68 Å²	68	149.7 Å²	149.7	42%	0.417	76%	0.759	S	S	.	*	H	α-helix	trans	-85	-19.5	-174.2	-36.4	0	0	0	0	112.2	S3 L7	S3-T5 PolarHBondContact O-N 3.28Å; S3-T5 PolarHBondContact OG-OG1 3.25Å; T5-L7 PolarHBondContact O-N 3.1Å
6	L	56.9	Low	56.2	Low	140 Å²	140	147.8 Å²	147.8	73%	0.733	76%	0.76	S	S	*	*	H	α-helix	trans	-72.2	-27.6	-179.4	-142.4	92.6	0	0	0	112.8	V10	L6-V10 WeakPolarHBondContact O-CG2 3.26Å
7	L	56.3	Low	56.4	Low	129 Å²	129	143.6 Å²	143.6	68%	0.675	76%	0.762	S	S	*	*	H	α-helix	trans	-72.9	-34.7	-175.9	-119.9	91.7	0	0	0	112.9	T5 L11	T5-L7 PolarHBondContact O-N 3.1Å; L7-L11 WeakPolarHBondContact O-CD1 3.26Å; L7-L11 PolarHBondContact O-N 3.05Å
8	L	56.2	Low	56.8	Low	122 Å²	122	141.9 Å²	141.9	64%	0.639	76%	0.763	S	S	*	*	H	α-helix	trans	-72.3	-31.3	-178	-76.6	165.2	0	0	0	112.9
9	W	56.2	Low	57.3	Low	193 Å²	193	140.2 Å²	140.2	73%	0.731	76%	0.759	S	S	*	*	H	α-helix	trans	-77.2	-30.2	179.2	-69	3.4	0	0	0	112.8	L11	W9-L11 VanDerWaalsContact C-N 3.35Å
10	V	59.7	Low	58.2	Low	104 Å²	104	135.2 Å²	135.2	63%	0.63	74%	0.741	S	S	*	*	H	α-helix	trans	-72.4	-27.9	176.4	177.1	0	0	0	0	111.7	L6 L12	L6-V10 WeakPolarHBondContact O-CG2 3.26Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 2.85Å
11	L	59.1	Low	59.6	Low	142 Å²	142	133 Å²	133	74%	0.743	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-18.6	-178.1	-110.1	98.7	0	0	0	115.4	L7 W9	L7-L11 WeakPolarHBondContact O-CD1 3.26Å; L7-L11 PolarHBondContact O-N 3.05Å; W9-L11 VanDerWaalsContact C-N 3.35Å
12	L	60.8	Low	62	Low	158 Å²	158	122.1 Å²	122.1	83%	0.827	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-0.8	-174.9	-82.2	160.9	0	0	0	114.4	V10	V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 2.85Å
13	L	59.6	Low	64.3	Low	133 Å²	133	117.1 Å²	117.1	70%	0.696	66%	0.658	S	S	*	*	S	Bend	trans	-98.9	99.3	178.8	-71.2	170.8	0	0	0	110.1
14	W	56.4	Low	66.3	Low	235 Å²	235	115.3 Å²	115.3	89%	0.89	64%	0.641	S	S	*	*			trans	95.4	70.4	156.4	-68.9	59.3	0	0	0	119.2
15	V	62.7	Low	68.2	Low	140 Å²	140	112.4 Å²	112.4	85%	0.848	63%	0.629	S	S	*	*			trans	-141.5	112.1	140.4	-172.1	0	0	0	0	106
16	P	53.6	Low	70.2	Confident	118 Å²	118	112.4 Å²	112.4	77%	0.766	62%	0.624	S	S	*	*				-145.2	119.5	81.2	26.5	-4	0	0	0	114.4	S18	P16-S18 PolarHBondContact O-N 3.2Å; P16-S18 VanDerWaalsContact O-N 3.11Å
17	G	59.1	Low	72.2	Confident	77 Å²	77	108.7 Å²	108.7	79%	0.794	61%	0.609	S	S	*	*			trans	-70.5	98.6	155.3	0	0	0	0	0	108.6	T19	G17-T19 PolarHBondContact O-N 2.95Å
18	S	63.5	Low	74.2	Confident	113 Å²	113	105.4 Å²	105.4	79%	0.79	60%	0.596	S	S	*	*			trans	-81.2	96.6	160.5	-177.7	0	0	0	0	106.6	P16 G20	P16-S18 PolarHBondContact O-N 3.2Å; P16-S18 VanDerWaalsContact O-N 3.11Å; S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 2.97Å
19	T	66.3	Low	76.1	Confident	110 Å²	110	105 Å²	105	68%	0.675	61%	0.611	S	S	*	*			trans	-67.8	98.4	164.2	49.4	0	0	0	0	106.4	G17 D21	G17-T19 PolarHBondContact O-N 2.95Å; T19-D21 PolarHBondContact O-N 2.82Å
20	G	75.4	Confident	78.1	Confident	39 Å²	39	100.8 Å²	100.8	40%	0.402	61%	0.61	S	S	.	*			trans	-63.6	116.8	-179.7	0	0	0	0	0	110.6	S18 K117	S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 2.97Å; G20-K117 VanDerWaalsContact O-CE 3.25Å; G20-K117 WeakPolarHBondContact O-CE 3.4Å; G20-K117 PolarHBondContact O-NZ 2.76Å
21	D	87.9	Confident	79.9	Confident	90 Å²	90	99.9 Å²	99.9	48%	0.481	60%	0.601	S	S	.	*			trans	-72	156	175.4	-78.3	-28.6	0	0	0	111.9	T19 V23	T19-D21 PolarHBondContact O-N 2.82Å; D21-V23 PolarHBondContact O-N 3.15Å
22	I	94.1	Very high	81.7	Confident	15 Å²	15	98 Å²	98	8%	0.077	61%	0.606	C	S	.	*			trans	-75.2	113.2	170.4	-60	178.1	0	0	0	108	L24 A45 E47 V49 Q114 R116 K117	I22-L24 HydrophobicContact CG2-CD2 4.39Å; I22-A45 HydrophobicContact CG2-CB 3.93Å; I22-E47 HydrophobicContact CG1-CB 4.33Å; I22-V49 HydrophobicContact CD1-CG1 4.26Å; I22-V49 HydrophobicContact CG2-CG1 4.14Å; I22-Q114 HydrophobicContact CB-CG 4.09Å; I22-Q114 HydrophobicContact CG2-CG 3.93Å; I22-R116 HydrophobicContact CD1-CB 4.17Å; I22-R116 HydrophobicContact CD1-CG 4.17Å; I22-K117 HydrophobicContact CD1-CB 3.7Å; I22-K117 HydrophobicContact CG1-CB 3.94Å; I22-K117 HydrophobicContact CG1-CD 4.1Å
23	V	95.5	Very high	83.5	Confident	91 Å²	91	92.9 Å²	92.9	55%	0.552	58%	0.581	S	S	*	*			trans	-88.6	136	-179.5	-178.9	0	0	0	0	109.7	D21 A45 S46	D21-V23 PolarHBondContact O-N 3.15Å; V23-A45 CarbonylContact O-C 3.57Å; V23-A45 WeakPolarHBondContact O-CA 3.5Å; V23-S46 PolarHBondContact N-OG 2.74Å; V23-S46 PolarHBondContact O-N 2.74Å
24	L	97.5	Very high	85.3	Confident	51 Å²	51	90.8 Å²	90.8	27%	0.267	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	135.8	177.2	-57.3	-178.4	0	0	0	110.8	I22 R44 A45 M57 C112 Q114	I22-L24 HydrophobicContact CG2-CD2 4.39Å; L24-R44 CarbonylContact C-O 3.49Å; L24-R44 WeakPolarHBondContact CA-O 3.49Å; L24-A45 HydrophobicContact CD2-CB 3.59Å; L24-M57 HydrophobicContact CD2-CE 3.9Å; L24-C112 WeakPolarHBondContact CD1-O 3.25Å; L24-Q114 HydrophobicContact CD1-CB 4.48Å; L24-Q114 HydrophobicContact CD1-CG 4.34Å; L24-Q114 HydrophobicContact CD2-CB 4.37Å; L24-Q114 HydrophobicContact CD2-CG 4.11Å; L24-Q114 HydrophobicContact CG-CG 4.44Å
25	T	98.5	Very high	87.3	Confident	92 Å²	92	84.4 Å²	84.4	56%	0.564	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.6	122.6	174	-57.1	0	0	0	0	109.7	C43 R44	T25-C43 CarbonylContact O-C 3.54Å; T25-C43 WeakPolarHBondContact O-CA 3.35Å; T25-R44 PolarHBondContact N-O 2.69Å; T25-R44 PolarHBondContact O-N 3.1Å
26	Q	98.6	Very high	89	Confident	69 Å²	69	79.3 Å²	79.3	32%	0.322	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.5	178.3	-77.4	-179.6	-133	0	0	112.5	S42 C43 Y110 C112	Q26-S42 CarbonylContact C-O 3.5Å; Q26-S42 VanDerWaalsContact CA-O 3.25Å; Q26-S42 WeakPolarHBondContact CA-O 3Å; Q26-C43 HydrophobicContact CG-CB 4.19Å; Q26-Y110 PolarHBondContact NE2-O 3.02Å; Q26-C112 WeakPolarHBondContact CG-SG 3.42Å; Q26-C112 PolarHBondContact OE1-SG 3.47Å
27	S	98.6	Very high	91.1	Very high	61 Å²	61	79.2 Å²	79.2	43%	0.427	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.1	173.3	62	0	0	0	0	112.9	S42	S27-S42 PolarHBondContact N-O 2.88Å; S27-S42 PolarHBondContact O-N 2.92Å
28	P	98.5	Very high	93	Very high	61 Å²	61	83.2 Å²	83.2	40%	0.396	52%	0.517	S	S	.	.			cis	-71.3	165.2	-12.3	34.3	-37	0	0	0	111.5	S30 L31	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.4Å; P28-S30 WeakPolarHBondContact CG-O 3.43Å; P28-L31 HydrophobicContact CG-CB 3.99Å; P28-L31 HydrophobicContact CG-CD1 4.21Å; P28-L31 HydrophobicContact CG-CG 4.48Å
29	A	96.7	Very high	94.7	Very high	114 Å²	114	78.2 Å²	78.2	94%	0.942	48%	0.483	S	S	*	.	S	Bend	trans	-69.6	-29.9	177.6	0	0	0	0	0	112.9
30	S	97.6	Very high	96.2	Very high	103 Å²	103	75.6 Å²	75.6	72%	0.72	47%	0.467	S	S	*	.	S	Bend	trans	-141.6	146.6	172.2	61.3	0	0	0	0	109.4	P28	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.4Å; P28-S30 WeakPolarHBondContact CG-O 3.43Å
31	L	97.1	Very high	97.3	Very high	85 Å²	85	74.7 Å²	74.7	45%	0.445	45%	0.453	S	S	.	.			trans	-140.1	121.9	-176.7	-177.3	57.3	0	0	0	109.1	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.99Å; P28-L31 HydrophobicContact CG-CD1 4.21Å; P28-L31 HydrophobicContact CG-CG 4.48Å; L31-V33 HydrophobicContact CD1-CG2 3.69Å; L31-V33 HydrophobicContact CD2-CG2 3.96Å; L31-V33 HydrophobicContact CG-CG2 3.57Å; L31-A39 HydrophobicContact CD2-CB 3.74Å
32	A	97.9	Very high	97.9	Very high	103 Å²	103	73 Å²	73	85%	0.851	45%	0.448	S	S	*	.			trans	-109.3	119.6	171.7	0	0	0	0	0	108.4
33	V	97.5	Very high	98.1	Very high	50 Å²	50	72.3 Å²	72.3	30%	0.303	45%	0.445	S	S	.	.			trans	-134.6	136.1	-174	172.5	0	0	0	0	108.4	L31 Q37 A39 V102	L31-V33 HydrophobicContact CD1-CG2 3.69Å; L31-V33 HydrophobicContact CD2-CG2 3.96Å; L31-V33 HydrophobicContact CG-CG2 3.57Å; V33-Q37 HydrophobicContact CG1-CB 3.6Å; V33-A39 HydrophobicContact CG2-CB 4.1Å; V33-V102 HydrophobicContact CG1-CB 4.36Å; V33-V102 HydrophobicContact CG1-CG2 3.9Å
34	S	98.3	Very high	98.2	Very high	90 Å²	90	75.2 Å²	75.2	63%	0.629	45%	0.446	S	S	*	.			trans	-68.2	147.7	176.2	-55.5	0	0	0	0	111.3	Q37	S34-Q37 VanDerWaalsContact O-CB 3.26Å; S34-Q37 WeakPolarHBondContact O-CB 3.49Å; S34-Q37 PolarHBondContact O-N 3.38Å; S34-Q37 VanDerWaalsContact O-N 3.1Å
35	L	98.3	Very high	98.3	Very high	100 Å²	100	73 Å²	73	52%	0.524	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	142.5	174.3	-58.5	179.4	0	0	0	111.1	Q37 V102 E103 E104	L35-Q37 PolarHBondContact O-N 2.99Å; L35-V102 WeakPolarHBondContact CA-O 3.44Å; L35-V102 HydrophobicContact CD2-CG1 4.49Å; L35-E103 VanDerWaalsContact CD2-C 3.5Å; L35-E104 HydrophobicContact CD1-CG 3.76Å; L35-E104 HydrophobicContact CD2-CG 3.99Å
36	G	98.5	Very high	98.2	Very high	34 Å²	34	71.9 Å²	71.9	35%	0.351	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-18.1	-176.8	0	0	0	0	0	115	H100 V102	G36-H100 PolarHBondContact O-CE1 3.26Å; G36-H100 VanDerWaalsContact O-CE1 3.28Å; G36-V102 PolarHBondContact N-O 3.17Å
37	Q	98.6	Very high	98.1	Very high	116 Å²	116	73.6 Å²	73.6	54%	0.542	44%	0.439	S	S	.	.	S	Bend	trans	-79.2	179.6	178.4	-61.3	-60	-69.1	0	0	111.7	V33 S34 L35 H100 V102	V33-Q37 HydrophobicContact CG1-CB 3.6Å; S34-Q37 VanDerWaalsContact O-CB 3.26Å; S34-Q37 WeakPolarHBondContact O-CB 3.49Å; S34-Q37 PolarHBondContact O-N 3.38Å; S34-Q37 VanDerWaalsContact O-N 3.1Å; L35-Q37 PolarHBondContact O-N 2.99Å; Q37-H100 PolarHBondContact O-ND1 2.82Å; Q37-V102 WeakPolarHBondContact O-CG2 3.46Å; Q37-V102 PolarHBondContact O-N 2.93Å
38	R	98.6	Very high	98	Very high	160 Å²	160	73.7 Å²	73.7	60%	0.604	44%	0.439	S	S	*	.			trans	-98.5	132.2	175.2	179.4	176.4	-60.3	177.5	2.1	109.9	I99 H100	R38-I99 WeakPolarHBondContact CA-O 3.23Å; R38-H100 HydrophobicContact CB-CB 4.2Å; R38-H100 HydrophobicContact CG-CB 4.21Å
39	A	98.6	Very high	97.9	Very high	9 Å²	9	70.8 Å²	70.8	7%	0.074	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139	164.1	0	0	0	0	0	109.7	L31 V33 N98 I99 V102	L31-A39 HydrophobicContact CD2-CB 3.74Å; V33-A39 HydrophobicContact CG2-CB 4.1Å; A39-N98 WeakPolarHBondContact O-CA 3.45Å; A39-I99 HydrophobicContact CB-CB 4.28Å; A39-I99 PolarHBondContact N-O 2.86Å; A39-I99 PolarHBondContact O-N 2.97Å; A39-V102 HydrophobicContact CB-CG2 3.73Å
40	T	98.7	Very high	97.9	Very high	55 Å²	55	68.1 Å²	68.1	34%	0.337	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.8	174.4	-59.1	0	0	0	0	109.4	L97 N98	T40-L97 CarbonylContact C-O 3.57Å; T40-L97 VanDerWaalsContact CA-O 3.32Å; T40-L97 WeakPolarHBondContact CA-O 3.26Å; T40-N98 WeakPolarHBondContact CG2-OD1 3.26Å; T40-N98 PolarHBondContact OG1-OD1 3.39Å
41	I	98.8	Very high	97.8	Very high	20 Å²	20	68.7 Å²	68.7	10%	0.103	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.6	174.7	-53.3	176.9	0	0	0	107.2	W59 S96 L97 Y110	I41-W59 HydrophobicContact CB-CH2 4.19Å; I41-W59 HydrophobicContact CB-CZ3 4.24Å; I41-W59 HydrophobicContact CG2-CH2 3.9Å; I41-W59 HydrophobicContact CG2-CZ3 3.87Å; I41-S96 CarbonylContact O-C 3.59Å; I41-S96 WeakPolarHBondContact O-CA 3.21Å; I41-L97 HydrophobicContact CB-CB 4.43Å; I41-L97 HydrophobicContact CD1-CD2 4.4Å; I41-L97 PolarHBondContact N-O 3.42Å; I41-L97 PolarHBondContact O-N 2.79Å; I41-Y110 HydrophobicContact CD1-CD2 4Å; I41-Y110 HydrophobicContact CD1-CG 3.96Å
42	S	98.8	Very high	97.7	Very high	53 Å²	53	74.3 Å²	74.3	37%	0.371	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	144	177.3	-57.5	0	0	0	0	110.4	Q26 S27 F95	Q26-S42 CarbonylContact C-O 3.5Å; Q26-S42 VanDerWaalsContact CA-O 3.25Å; Q26-S42 WeakPolarHBondContact CA-O 3Å; S27-S42 PolarHBondContact N-O 2.88Å; S27-S42 PolarHBondContact O-N 2.92Å; S42-F95 CarbonylContact C-O 3.05Å; S42-F95 WeakPolarHBondContact CA-O 3.4Å
43	C	98.8	Very high	97.6	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.014	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124	170.3	177.5	0	0	0	0	109.1	T25 Q26 W59 F95 C112	T25-C43 CarbonylContact O-C 3.54Å; T25-C43 WeakPolarHBondContact O-CA 3.35Å; Q26-C43 HydrophobicContact CG-CB 4.19Å; C43-W59 HydrophobicContact CB-CH2 3.6Å; C43-W59 HydrophobicContact CB-CZ2 3.65Å; C43-F95 HydrophobicContact CB-CB 4.39Å; C43-F95 PolarHBondContact N-O 2.86Å; C43-F95 PolarHBondContact O-N 2.9Å; C43-C112 HydrophobicContact CB-CB 3.48Å; C43-C112 VanDerWaalsContact CB-CB 3.48Å; C43-C112 WeakPolarHBondContact CB-SG 3.5Å; C43-C112 WeakPolarHBondContact SG-CB 3.46Å; C43-C112 CovalentContact SG-SG 2.02Å; C43-C112 PolarHBondContact SG-SG 3.12Å
44	R	98.7	Very high	97.6	Very high	151 Å²	151	73.2 Å²	73.2	57%	0.57	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.1	175.6	178.8	173	-77.8	153.4	-3.8	110.4	L24 T25 T93 D94	L24-R44 CarbonylContact C-O 3.49Å; L24-R44 WeakPolarHBondContact CA-O 3.49Å; T25-R44 PolarHBondContact N-O 2.69Å; T25-R44 PolarHBondContact O-N 3.1Å; R44-T93 CarbonylContact C-O 3.57Å; R44-T93 VanDerWaalsContact CA-O 3.24Å; R44-T93 WeakPolarHBondContact CA-O 3.41Å; R44-D94 IonicContact CZ-OD1 3.17Å; R44-D94 IonicContact NE-OD1 2.78Å; R44-D94 PolarHBondContact NE-OD1 3.18Å; R44-D94 IonicContact NH2-OD1 2.73Å; R44-D94 PolarHBondContact NH2-OD1 2.59Å
45	A	98	Very high	97.6	Very high	4 Å²	4	69.6 Å²	69.6	3%	0.033	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	147.2	170.7	0	0	0	0	0	111.2	I22 V23 L24 E47 V49 T93	I22-A45 HydrophobicContact CG2-CB 3.93Å; V23-A45 CarbonylContact O-C 3.57Å; V23-A45 WeakPolarHBondContact O-CA 3.5Å; L24-A45 HydrophobicContact CD2-CB 3.59Å; A45-E47 VanDerWaalsContact CB-O 3.27Å; A45-E47 WeakPolarHBondContact CB-O 3.49Å; A45-E47 PolarHBondContact O-N 2.76Å; A45-V49 HydrophobicContact CB-CG1 3.79Å; A45-T93 PolarHBondContact N-O 2.84Å
46	S	97	Very high	97.5	Very high	70 Å²	70	66.3 Å²	66.3	49%	0.49	35%	0.346	S	S	.	.	S	Bend	trans	-68.6	-21.7	176.6	62	0	0	0	0	113.5	V23	V23-S46 PolarHBondContact N-OG 2.74Å; V23-S46 PolarHBondContact O-N 2.74Å
47	E	96.1	Very high	97.5	Very high	104 Å²	104	64.7 Å²	64.7	49%	0.486	33%	0.329	S	S	.	.	S	Bend	trans	-141.7	162.6	178.5	-64.5	177.9	-148.7	0	0	109.3	I22 A45 V49	I22-E47 HydrophobicContact CG1-CB 4.33Å; A45-E47 VanDerWaalsContact CB-O 3.27Å; A45-E47 WeakPolarHBondContact CB-O 3.49Å; A45-E47 PolarHBondContact O-N 2.76Å; E47-V49 PolarHBondContact O-N 3.05Å
48	S	97	Very high	97.5	Very high	63 Å²	63	60 Å²	60	44%	0.441	31%	0.307	S	S	.	.			trans	-61.4	127.7	177	178.8	0	0	0	0	111	E50 G92	S48-E50 VanDerWaalsContact C-N 3.28Å; S48-E50 WeakPolarHBondContact OG-CB 3.38Å; S48-E50 PolarHBondContact OG-N 2.92Å; S48-G92 WeakPolarHBondContact CA-O 3.01Å
49	V	96.8	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.			trans	-94.5	16.5	175.5	-56.3	0	0	0	0	112.4	I22 A45 E47 L56 M57 G92 F95 Q114 R116	I22-V49 HydrophobicContact CD1-CG1 4.26Å; I22-V49 HydrophobicContact CG2-CG1 4.14Å; A45-V49 HydrophobicContact CB-CG1 3.79Å; E47-V49 PolarHBondContact O-N 3.05Å; V49-L56 VanDerWaalsContact O-CB 3.31Å; V49-L56 WeakPolarHBondContact O-CB 3.43Å; V49-L56 PolarHBondContact O-N 2.87Å; V49-M57 HydrophobicContact CG2-CB 4.35Å; V49-M57 HydrophobicContact CG2-CE 4.32Å; V49-G92 PolarHBondContact N-O 3.4Å; V49-F95 HydrophobicContact CG2-CE1 4.33Å; V49-F95 HydrophobicContact CG2-CE2 3.45Å; V49-F95 VanDerWaalsContact CG2-CE2 3.45Å; V49-F95 HydrophobicContact CG2-CZ 3.27Å; V49-Q114 HydrophobicContact CB-CB 4.16Å; V49-Q114 HydrophobicContact CG1-CB 3.53Å; V49-Q114 HydrophobicContact CG1-CG 4Å; V49-R116 HydrophobicContact CB-CB 4.01Å; V49-R116 HydrophobicContact CG1-CB 4.45Å
50	E	97	Very high	97.6	Very high	59 Å²	59	54.7 Å²	54.7	28%	0.276	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.2	178.4	-162.2	69.2	-164	0	0	111.9	S48 G53 T54 S55 R116	S48-E50 VanDerWaalsContact C-N 3.28Å; S48-E50 WeakPolarHBondContact OG-CB 3.38Å; S48-E50 PolarHBondContact OG-N 2.92Å; E50-G53 WeakPolarHBondContact OE1-CA 3.38Å; E50-T54 PolarHBondContact OE1-N 3.16Å; E50-S55 VanDerWaalsContact OE2-CA 3.31Å; E50-S55 WeakPolarHBondContact OE2-CA 3.32Å; E50-S55 WeakPolarHBondContact OE2-CB 3.17Å; E50-S55 PolarHBondContact OE2-N 2.96Å; E50-S55 PolarHBondContact OE2-OG 2.78Å; E50-R116 WeakPolarHBondContact O-CD 3.19Å; E50-R116 PolarHBondContact O-NE 3.11Å
51	Y	95.7	Very high	97.6	Very high	114 Å²	114	53.5 Å²	53.5	45%	0.447	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	113.8	175.1	-171.2	-111.9	0	0	0	110.3	G53 T54 L56	Y51-G53 VanDerWaalsContact C-N 3.25Å; Y51-G53 PolarHBondContact O-N 2.94Å; Y51-T54 PolarHBondContact N-O 2.77Å; Y51-T54 WeakPolarHBondContact O-CB 3.39Å; Y51-T54 PolarHBondContact O-N 2.91Å; Y51-L56 HydrophobicContact CD1-CD1 4.26Å; Y51-L56 HydrophobicContact CG-CD1 3.97Å
52	Y	95.1	Very high	97.5	Very high	204 Å²	204	54.9 Å²	54.9	80%	0.8	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	41.8	-178.3	-68.1	-89.5	0	0	0	114.1	T54	Y52-T54 VanDerWaalsContact C-N 3.29Å; Y52-T54 PolarHBondContact O-N 3.07Å
53	G	95	Very high	97.5	Very high	66 Å²	66	54.3 Å²	54.3	68%	0.68	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	10.3	-179.6	0	0	0	0	0	114.7	E50 Y51	E50-G53 WeakPolarHBondContact OE1-CA 3.38Å; Y51-G53 VanDerWaalsContact C-N 3.25Å; Y51-G53 PolarHBondContact O-N 2.94Å
54	T	97.1	Very high	97.4	Very high	64 Å²	64	59.2 Å²	59.2	39%	0.393	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.4	170.8	-56	0	0	0	0	110.3	E50 Y51 Y52 L56 A74	E50-T54 PolarHBondContact OE1-N 3.16Å; Y51-T54 PolarHBondContact N-O 2.77Å; Y51-T54 WeakPolarHBondContact O-CB 3.39Å; Y51-T54 PolarHBondContact O-N 2.91Å; Y52-T54 VanDerWaalsContact C-N 3.29Å; Y52-T54 PolarHBondContact O-N 3.07Å; T54-L56 HydrophobicContact CG2-CD2 4.16Å; T54-L56 PolarHBondContact O-N 3.26Å; T54-A74 HydrophobicContact CG2-CB 3.94Å
55	S	98.3	Very high	97.3	Very high	13 Å²	13	56.5 Å²	56.5	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.5	172.8	-57.2	0	0	0	0	111	E50 M57 A74 A75 S91	E50-S55 VanDerWaalsContact OE2-CA 3.31Å; E50-S55 WeakPolarHBondContact OE2-CA 3.32Å; E50-S55 WeakPolarHBondContact OE2-CB 3.17Å; E50-S55 PolarHBondContact OE2-N 2.96Å; E50-S55 PolarHBondContact OE2-OG 2.78Å; S55-M57 PolarHBondContact O-N 2.82Å; S55-A74 CarbonylContact O-C 3.6Å; S55-A74 WeakPolarHBondContact O-CA 3.44Å; S55-A75 PolarHBondContact O-N 3.46Å; S55-S91 WeakPolarHBondContact OG-CA 3.01Å
56	L	97.4	Very high	97.3	Very high	31 Å²	31	60.2 Å²	60.2	16%	0.162	34%	0.341	C	S	.	.			trans	-81.9	49.9	-175.3	-62.2	-178.8	0	0	0	113	V49 Y51 T54 Q114 S115 R116	V49-L56 VanDerWaalsContact O-CB 3.31Å; V49-L56 WeakPolarHBondContact O-CB 3.43Å; V49-L56 PolarHBondContact O-N 2.87Å; Y51-L56 HydrophobicContact CD1-CD1 4.26Å; Y51-L56 HydrophobicContact CG-CD1 3.97Å; T54-L56 HydrophobicContact CG2-CD2 4.16Å; T54-L56 PolarHBondContact O-N 3.26Å; L56-Q114 CarbonylContact O-C 3.55Å; L56-Q114 VanDerWaalsContact O-CA 3.24Å; L56-Q114 WeakPolarHBondContact O-CA 3.43Å; L56-S115 PolarHBondContact O-N 2.83Å; L56-R116 HydrophobicContact CB-CB 4.29Å; L56-R116 HydrophobicContact CD1-CB 4.03Å
57	M	98.5	Very high	97.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.9	173.4	-176.2	57.7	65	0	0	110.2	L24 V49 S55 A74 A75 F95 C112 Q113 Q114	L24-M57 HydrophobicContact CD2-CE 3.9Å; V49-M57 HydrophobicContact CG2-CB 4.35Å; V49-M57 HydrophobicContact CG2-CE 4.32Å; S55-M57 PolarHBondContact O-N 2.82Å; M57-A74 PolarHBondContact O-N 2.99Å; M57-A75 HydrophobicContact CB-CB 4.21Å; M57-A75 PolarHBondContact O-N 2.8Å; M57-F95 HydrophobicContact CB-CD1 3.6Å; M57-F95 HydrophobicContact CB-CD2 4.18Å; M57-F95 HydrophobicContact CB-CE1 3.64Å; M57-F95 HydrophobicContact CB-CE2 4.21Å; M57-F95 HydrophobicContact CB-CG 3.89Å; M57-F95 HydrophobicContact CB-CZ 3.96Å; M57-F95 HydrophobicContact CE-CD2 3.43Å; M57-F95 VanDerWaalsContact CE-CD2 3.43Å; M57-F95 HydrophobicContact CE-CE2 3.72Å; M57-F95 HydrophobicContact CE-CG 4.06Å; M57-F95 HydrophobicContact CG-CB 3.93Å; M57-F95 HydrophobicContact CG-CD1 3.74Å; M57-F95 HydrophobicContact CG-CD2 3.97Å; M57-F95 HydrophobicContact CG-CE1 4.27Å; M57-F95 HydrophobicContact CG-CE2 4.47Å; M57-F95 HydrophobicContact CG-CG 3.57Å; M57-F95 HydrophobicContact SD-CD2 4.44Å; M57-C112 HydrophobicContact SD-CB 3.69Å; M57-Q113 CarbonylContact C-O 3.54Å; M57-Q114 HydrophobicContact CE-CB 4.32Å
58	Q	98.6	Very high	97.5	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.084	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.4	175.9	-58.5	84.9	21	0	0	110.5	Y60 L70 I72 C112 Q113 S115	Q58-Y60 HydrophobicContact CB-CD2 4.41Å; Q58-Y60 HydrophobicContact CB-CE2 3.68Å; Q58-L70 HydrophobicContact CB-CD1 4.13Å; Q58-L70 HydrophobicContact CG-CD1 4.45Å; Q58-I72 CarbonylContact C-O 3.57Å; Q58-I72 VanDerWaalsContact CA-O 3.26Å; Q58-I72 WeakPolarHBondContact CA-O 3.25Å; Q58-C112 CarbonylContact O-C 3.55Å; Q58-C112 VanDerWaalsContact O-CA 3.23Å; Q58-C112 WeakPolarHBondContact O-CA 3.38Å; Q58-Q113 HydrophobicContact CB-CB 4.5Å; Q58-Q113 PolarHBondContact N-O 2.78Å; Q58-Q113 PolarHBondContact O-N 2.73Å; Q58-Q113 PolarHBondContact OE1-O 2.83Å; Q58-S115 PolarHBondContact NE2-OG 2.7Å
59	W	98.8	Very high	97.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.1	171.2	-69.1	93.7	0	0	0	110.3	I41 C43 L71 I72 L97 F111 C112	I41-W59 HydrophobicContact CB-CH2 4.19Å; I41-W59 HydrophobicContact CB-CZ3 4.24Å; I41-W59 HydrophobicContact CG2-CH2 3.9Å; I41-W59 HydrophobicContact CG2-CZ3 3.87Å; C43-W59 HydrophobicContact CB-CH2 3.6Å; C43-W59 HydrophobicContact CB-CZ2 3.65Å; W59-L71 HydrophobicContact CB-CB 4.45Å; W59-L71 WeakPolarHBondContact O-CA 3.2Å; W59-L71 VanDerWaalsContact O-CB 3.31Å; W59-L71 WeakPolarHBondContact O-CB 3.4Å; W59-L71 PolarHBondContact O-N 3.49Å; W59-I72 HydrophobicContact CB-CB 4.12Å; W59-I72 HydrophobicContact CB-CG1 4.48Å; W59-I72 PolarHBondContact N-O 2.94Å; W59-I72 PolarHBondContact O-N 3.36Å; W59-L97 HydrophobicContact CD2-CB 3.59Å; W59-L97 HydrophobicContact CD2-CD2 4.17Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.74Å; W59-L97 HydrophobicContact CE3-CD2 3.81Å; W59-L97 HydrophobicContact CE3-CG 4.38Å; W59-L97 HydrophobicContact CG-CB 4.15Å; W59-L97 HydrophobicContact CG-CD1 4.42Å; W59-L97 HydrophobicContact CG-CD2 4.49Å; W59-L97 HydrophobicContact CH2-CB 3.9Å; W59-L97 HydrophobicContact CZ2-CB 3.78Å; W59-L97 HydrophobicContact CZ3-CB 3.89Å; W59-L97 HydrophobicContact CZ3-CD2 4.32Å; W59-F111 CarbonylContact C-O 3.51Å; W59-F111 WeakPolarHBondContact CA-O 3.45Å; W59-C112 HydrophobicContact CD2-CB 4.15Å; W59-C112 HydrophobicContact CE3-CB 3.97Å; W59-C112 HydrophobicContact CH2-CB 4.04Å; W59-C112 HydrophobicContact CZ2-CB 4.18Å; W59-C112 HydrophobicContact CZ3-CB 3.92Å
60	Y	98.8	Very high	97.6	Very high	58 Å²	58	64.9 Å²	64.9	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.7	177.9	-66.2	-96.2	0	0	0	110.4	Q58 P68 K69 L70 Y110 F111 Q113	Q58-Y60 HydrophobicContact CB-CD2 4.41Å; Q58-Y60 HydrophobicContact CB-CE2 3.68Å; Y60-P68 HydrophobicContact CD1-CB 4.5Å; Y60-K69 CarbonylContact C-O 3.21Å; Y60-K69 WeakPolarHBondContact CA-O 3.49Å; Y60-L70 HydrophobicContact CD1-CB 4.34Å; Y60-L70 HydrophobicContact CD1-CD1 4.49Å; Y60-L70 HydrophobicContact CE1-CB 4Å; Y60-L70 HydrophobicContact CE1-CD1 3.98Å; Y60-L70 HydrophobicContact CE2-CD1 4.3Å; Y60-Y110 VanDerWaalsContact O-CA 3.31Å; Y60-Y110 WeakPolarHBondContact O-CA 3.24Å; Y60-F111 PolarHBondContact N-O 2.81Å; Y60-F111 PolarHBondContact O-N 3.35Å; Y60-Q113 HydrophobicContact CD2-CB 4.31Å; Y60-Q113 HydrophobicContact CE2-CB 3.86Å; Y60-Q113 PolarHBondContact OH-OE1 2.92Å
61	Q	98.6	Very high	97.7	Very high	30 Å²	30	62.3 Å²	62.3	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.3	170.6	-174.8	-171.7	51.6	0	0	109.3	P68 K69 L71 A108 Y110	Q61-P68 WeakPolarHBondContact O-CA 3.19Å; Q61-K69 PolarHBondContact N-O 2.81Å; Q61-K69 PolarHBondContact O-N 3.49Å; Q61-L71 HydrophobicContact CB-CD1 4.38Å; Q61-A108 HydrophobicContact CG-CB 3.5Å; Q61-A108 VanDerWaalsContact CG-CB 3.5Å; Q61-Y110 HydrophobicContact CB-CD1 4.17Å; Q61-Y110 HydrophobicContact CB-CE1 3.95Å; Q61-Y110 HydrophobicContact CG-CD1 4.24Å; Q61-Y110 HydrophobicContact CG-CE1 3.69Å; Q61-Y110 PolarHBondContact NE2-OH 3.31Å
62	Q	98.5	Very high	97.8	Very high	48 Å²	48	56.9 Å²	56.9	22%	0.224	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.2	172.6	-170.5	176.9	19.5	0	0	110.7	Q66 P68 A108 M109 F111	Q62-Q66 WeakPolarHBondContact CG-O 3.35Å; Q62-Q66 PolarHBondContact NE2-O 3.22Å; Q62-P68 HydrophobicContact CB-CB 4.42Å; Q62-P68 HydrophobicContact CB-CG 4.35Å; Q62-P68 HydrophobicContact CG-CG 4.22Å; Q62-A108 WeakPolarHBondContact O-CB 3.31Å; Q62-M109 HydrophobicContact CB-CB 4.44Å; Q62-M109 HydrophobicContact CB-CE 4.29Å; Q62-M109 HydrophobicContact CG-CE 4.16Å; Q62-M109 PolarHBondContact N-O 2.62Å; Q62-M109 PolarHBondContact O-N 3.17Å; Q62-F111 HydrophobicContact CB-CE2 3.93Å
63	K	97.6	Very high	98	Very high	41 Å²	41	51.9 Å²	51.9	18%	0.178	31%	0.309	C	S	.	.			trans	-75.1	153.5	171.2	-67.8	-170.7	176.3	-168.2	0	110.7	G65 Q66 D105 A108	K63-G65 PolarHBondContact O-N 2.89Å; K63-Q66 HydrophobicContact CB-CB 4.35Å; K63-Q66 HydrophobicContact CB-CG 4.38Å; K63-Q66 PolarHBondContact O-N 3.03Å; K63-D105 WeakPolarHBondContact CE-O 3.44Å; K63-D105 PolarHBondContact NZ-O 3.36Å; K63-D105 VanDerWaalsContact NZ-O 3.16Å; K63-D105 IonicContact NZ-OD1 2.91Å; K63-D105 PolarHBondContact NZ-OD1 2.94Å; K63-D105 IonicContact NZ-OD2 2.74Å; K63-D105 PolarHBondContact NZ-OD2 2.97Å; K63-A108 HydrophobicContact CG-CB 4.18Å
64	P	96.9	Very high	98.1	Very high	106 Å²	106	49.9 Å²	49.9	69%	0.688	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	129.7	177.1	-27.7	35.4	0	0	0	112.5	Q66	P64-Q66 PolarHBondContact O-N 3.29Å
65	G	97.4	Very high	98.2	Very high	94 Å²	94	46.9 Å²	46.9	97%	0.969	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	3.3	179.3	0	0	0	0	0	115.8	K63	K63-G65 PolarHBondContact O-N 2.89Å
66	Q	97.8	Very high	98.2	Very high	81 Å²	81	49.4 Å²	49.4	38%	0.379	29%	0.286	S	S	.	.	S	Bend	trans	-109.3	155	178	-64.1	-173.7	40.7	0	0	111.4	Q62 K63 P64	Q62-Q66 WeakPolarHBondContact CG-O 3.35Å; Q62-Q66 PolarHBondContact NE2-O 3.22Å; K63-Q66 HydrophobicContact CB-CB 4.35Å; K63-Q66 HydrophobicContact CB-CG 4.38Å; K63-Q66 PolarHBondContact O-N 3.03Å; P64-Q66 PolarHBondContact O-N 3.29Å
67	P	97.9	Very high	98.3	Very high	93 Å²	93	51.4 Å²	51.4	60%	0.604	30%	0.296	S	S	*	.			trans	-68.2	156.3	169.2	29.9	-35.3	0	0	0	111.1
68	P	98.1	Very high	98.3	Very high	71 Å²	71	54 Å²	54	46%	0.461	31%	0.312	S	S	.	.			trans	-58.4	140	170.7	-21.5	32.9	0	0	0	111.7	Y60 Q61 Q62	Y60-P68 HydrophobicContact CD1-CB 4.5Å; Q61-P68 WeakPolarHBondContact O-CA 3.19Å; Q62-P68 HydrophobicContact CB-CB 4.42Å; Q62-P68 HydrophobicContact CB-CG 4.35Å; Q62-P68 HydrophobicContact CG-CG 4.22Å
69	K	98.3	Very high	98.3	Very high	119 Å²	119	56.1 Å²	56.1	52%	0.517	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.7	174.9	-66.2	-178.4	-178.8	172.9	0	110.2	Y60 Q61 L71	Y60-K69 CarbonylContact C-O 3.21Å; Y60-K69 WeakPolarHBondContact CA-O 3.49Å; Q61-K69 PolarHBondContact N-O 2.81Å; Q61-K69 PolarHBondContact O-N 3.49Å; K69-L71 PolarHBondContact O-N 3.08Å
70	L	98.7	Very high	98.2	Very high	53 Å²	53	61.3 Å²	61.3	28%	0.277	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.5	174.6	-177.7	60.3	0	0	0	109.3	Q58 Y60 I72 E79	Q58-L70 HydrophobicContact CB-CD1 4.13Å; Q58-L70 HydrophobicContact CG-CD1 4.45Å; Y60-L70 HydrophobicContact CD1-CB 4.34Å; Y60-L70 HydrophobicContact CD1-CD1 4.49Å; Y60-L70 HydrophobicContact CE1-CB 4Å; Y60-L70 HydrophobicContact CE1-CD1 3.98Å; Y60-L70 HydrophobicContact CE2-CD1 4.3Å; L70-I72 WeakPolarHBondContact CD1-O 3.31Å; L70-E79 VanDerWaalsContact CD2-OE2 3.26Å; L70-E79 WeakPolarHBondContact CD2-OE2 3.46Å; L70-E79 HydrophobicContact CG-CB 4.36Å; L70-E79 HydrophobicContact CG-CG 4.43Å
71	L	98.6	Very high	98.2	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.021	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-49.8	-178.8	-171.4	75.1	0	0	0	110.5	W59 Q61 K69 E79 V82 F86 L97 Y110	W59-L71 HydrophobicContact CB-CB 4.45Å; W59-L71 WeakPolarHBondContact O-CA 3.2Å; W59-L71 VanDerWaalsContact O-CB 3.31Å; W59-L71 WeakPolarHBondContact O-CB 3.4Å; W59-L71 PolarHBondContact O-N 3.49Å; Q61-L71 HydrophobicContact CB-CD1 4.38Å; K69-L71 PolarHBondContact O-N 3.08Å; L71-E79 PolarHBondContact O-N 2.81Å; L71-V82 HydrophobicContact CD1-CB 4.38Å; L71-V82 HydrophobicContact CD1-CG1 3.43Å; L71-V82 VanDerWaalsContact CD1-CG1 3.43Å; L71-V82 HydrophobicContact CD1-CG2 3.99Å; L71-V82 HydrophobicContact CG-CG1 4.16Å; L71-F86 HydrophobicContact CD1-CD1 3.98Å; L71-F86 HydrophobicContact CD1-CD2 4.25Å; L71-F86 HydrophobicContact CD1-CE1 4.14Å; L71-F86 HydrophobicContact CD1-CE2 4.42Å; L71-F86 HydrophobicContact CD1-CG 4.02Å; L71-F86 HydrophobicContact CD1-CZ 4.36Å; L71-F86 HydrophobicContact CD2-CD1 3.69Å; L71-F86 HydrophobicContact CD2-CE1 4.05Å; L71-F86 HydrophobicContact CD2-CG 4.36Å; L71-F86 HydrophobicContact CG-CD1 4.2Å; L71-F86 HydrophobicContact CG-CG 4.4Å; L71-L97 HydrophobicContact CD2-CD1 3.7Å; L71-L97 HydrophobicContact CD2-CD2 3.85Å; L71-L97 HydrophobicContact CD2-CG 4.45Å; L71-Y110 HydrophobicContact CD2-CD1 4.09Å; L71-Y110 HydrophobicContact CD2-CE1 3.94Å
72	I	98.8	Very high	98.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.1	-178.4	-52.8	-171.2	0	0	0	108.6	Q58 W59 L70 N77 L97	Q58-I72 CarbonylContact C-O 3.57Å; Q58-I72 VanDerWaalsContact CA-O 3.26Å; Q58-I72 WeakPolarHBondContact CA-O 3.25Å; W59-I72 HydrophobicContact CB-CB 4.12Å; W59-I72 HydrophobicContact CB-CG1 4.48Å; W59-I72 PolarHBondContact N-O 2.94Å; W59-I72 PolarHBondContact O-N 3.36Å; L70-I72 WeakPolarHBondContact CD1-O 3.31Å; I72-N77 CarbonylContact C-O 3.52Å; I72-N77 VanDerWaalsContact CA-O 3.23Å; I72-N77 WeakPolarHBondContact CA-O 3.29Å; I72-N77 VanDerWaalsContact CG2-O 3.29Å; I72-N77 WeakPolarHBondContact CG2-O 3.23Å; I72-L97 HydrophobicContact CD1-CD1 3.49Å; I72-L97 VanDerWaalsContact CD1-CD1 3.49Å; I72-L97 HydrophobicContact CG1-CD1 4.31Å
73	Y	98.5	Very high	98.1	Very high	99 Å²	99	63 Å²	63	39%	0.388	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	163.7	173.3	68.3	-84.3	0	0	0	110.9	A75 S76 N77	Y73-A75 PolarHBondContact O-N 3.32Å; Y73-A75 VanDerWaalsContact O-N 3.16Å; Y73-S76 PolarHBondContact O-N 2.82Å; Y73-N77 HydrophobicContact CD1-CB 3.9Å; Y73-N77 VanDerWaalsContact CD1-O 3.3Å; Y73-N77 WeakPolarHBondContact CD1-O 3.3Å; Y73-N77 HydrophobicContact CD2-CB 3.92Å; Y73-N77 HydrophobicContact CE1-CB 3.52Å; Y73-N77 HydrophobicContact CE2-CB 3.56Å; Y73-N77 VanDerWaalsContact CE2-ND2 3.29Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.48Å; Y73-N77 HydrophobicContact CG-CB 4.08Å; Y73-N77 PolarHBondContact N-O 3.01Å; Y73-N77 WeakPolarHBondContact O-CB 3.29Å; Y73-N77 PolarHBondContact O-N 3.18Å
74	A	97.9	Very high	98.2	Very high	24 Å²	24	66 Å²	66	20%	0.198	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	42.8	-179.4	0	0	0	0	0	113	T54 S55 M57 S76	T54-A74 HydrophobicContact CG2-CB 3.94Å; S55-A74 CarbonylContact O-C 3.6Å; S55-A74 WeakPolarHBondContact O-CA 3.44Å; M57-A74 PolarHBondContact O-N 2.99Å; A74-S76 PolarHBondContact O-N 2.9Å; A74-S76 PolarHBondContact O-OG 3.22Å
75	A	98.5	Very high	98.2	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.008	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	-28.2	-176	0	0	0	0	0	117.3	S55 M57 Y73 G88 S89 F95	S55-A75 PolarHBondContact O-N 3.46Å; M57-A75 HydrophobicContact CB-CB 4.21Å; M57-A75 PolarHBondContact O-N 2.8Å; Y73-A75 PolarHBondContact O-N 3.32Å; Y73-A75 VanDerWaalsContact O-N 3.16Å; A75-G88 CarbonylContact O-C 3.5Å; A75-G88 WeakPolarHBondContact O-CA 3.31Å; A75-S89 PolarHBondContact O-N 3.01Å; A75-F95 HydrophobicContact CB-CD1 3.73Å; A75-F95 HydrophobicContact CB-CE1 3.67Å
76	S	98.3	Very high	98.3	Very high	67 Å²	67	58.2 Å²	58.2	47%	0.469	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	-13	-167.9	58.9	0	0	0	0	115.5	Y73 A74 V78 G88	Y73-S76 PolarHBondContact O-N 2.82Å; A74-S76 PolarHBondContact O-N 2.9Å; A74-S76 PolarHBondContact O-OG 3.22Å; S76-V78 PolarHBondContact O-N 3.34Å; S76-G88 WeakPolarHBondContact CA-O 3.48Å; S76-G88 WeakPolarHBondContact CB-O 3.24Å
77	N	98.4	Very high	98.3	Very high	72 Å²	72	57 Å²	57	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.9	-179.2	-65.1	-11	0	0	0	110.5	I72 Y73	I72-N77 CarbonylContact C-O 3.52Å; I72-N77 VanDerWaalsContact CA-O 3.23Å; I72-N77 WeakPolarHBondContact CA-O 3.29Å; I72-N77 VanDerWaalsContact CG2-O 3.29Å; I72-N77 WeakPolarHBondContact CG2-O 3.23Å; Y73-N77 HydrophobicContact CD1-CB 3.9Å; Y73-N77 VanDerWaalsContact CD1-O 3.3Å; Y73-N77 WeakPolarHBondContact CD1-O 3.3Å; Y73-N77 HydrophobicContact CD2-CB 3.92Å; Y73-N77 HydrophobicContact CE1-CB 3.52Å; Y73-N77 HydrophobicContact CE2-CB 3.56Å; Y73-N77 VanDerWaalsContact CE2-ND2 3.29Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.48Å; Y73-N77 HydrophobicContact CG-CB 4.08Å; Y73-N77 PolarHBondContact N-O 3.01Å; Y73-N77 WeakPolarHBondContact O-CB 3.29Å; Y73-N77 PolarHBondContact O-N 3.18Å
78	V	98.5	Very high	98.4	Very high	54 Å²	54	53.1 Å²	53.1	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	133.1	178.4	178.6	0	0	0	0	109.9	S76 V82 F86	S76-V78 PolarHBondContact O-N 3.34Å; V78-V82 HydrophobicContact CG1-CB 3.56Å; V78-V82 HydrophobicContact CG1-CG1 3.58Å; V78-F86 WeakPolarHBondContact CG2-O 3.34Å
79	E	98.5	Very high	98.4	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-68.2	152.4	178.6	-177.7	56.1	-100.7	0	0	111.9	L70 L71 G81 V82	L70-E79 VanDerWaalsContact CD2-OE2 3.26Å; L70-E79 WeakPolarHBondContact CD2-OE2 3.46Å; L70-E79 HydrophobicContact CG-CB 4.36Å; L70-E79 HydrophobicContact CG-CG 4.43Å; L71-E79 PolarHBondContact O-N 2.81Å; E79-G81 PolarHBondContact O-N 2.81Å; E79-V82 HydrophobicContact CB-CG2 3.96Å; E79-V82 VanDerWaalsContact O-CB 3.29Å; E79-V82 WeakPolarHBondContact O-CB 3.05Å; E79-V82 PolarHBondContact O-N 3.42Å; E79-V82 VanDerWaalsContact O-N 3.08Å
80	S	98.2	Very high	98.4	Very high	109 Å²	109	48.4 Å²	48.4	76%	0.762	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	129.8	179.4	-55.5	0	0	0	0	111.7	V82	S80-V82 VanDerWaalsContact C-N 3.27Å; S80-V82 PolarHBondContact O-N 2.9Å
81	G	97.8	Very high	98.3	Very high	87 Å²	87	49.7 Å²	49.7	90%	0.897	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-3.5	-178.9	0	0	0	0	0	114.7	E79	E79-G81 PolarHBondContact O-N 2.81Å
82	V	98.2	Very high	98.3	Very high	30 Å²	30	50.4 Å²	50.4	18%	0.182	35%	0.347	C	S	.	.			trans	-78	133.1	170.3	174.6	0	0	0	0	109.7	L71 V78 E79 S80 F86	L71-V82 HydrophobicContact CD1-CB 4.38Å; L71-V82 HydrophobicContact CD1-CG1 3.43Å; L71-V82 VanDerWaalsContact CD1-CG1 3.43Å; L71-V82 HydrophobicContact CD1-CG2 3.99Å; L71-V82 HydrophobicContact CG-CG1 4.16Å; V78-V82 HydrophobicContact CG1-CB 3.56Å; V78-V82 HydrophobicContact CG1-CG1 3.58Å; E79-V82 HydrophobicContact CB-CG2 3.96Å; E79-V82 VanDerWaalsContact O-CB 3.29Å; E79-V82 WeakPolarHBondContact O-CB 3.05Å; E79-V82 PolarHBondContact O-N 3.42Å; E79-V82 VanDerWaalsContact O-N 3.08Å; S80-V82 VanDerWaalsContact C-N 3.27Å; S80-V82 PolarHBondContact O-N 2.9Å; V82-F86 HydrophobicContact CG1-CB 3.9Å; V82-F86 HydrophobicContact CG1-CD2 3.64Å; V82-F86 HydrophobicContact CG1-CE2 4.44Å; V82-F86 HydrophobicContact CG1-CG 3.96Å
83	P	98.3	Very high	98.3	Very high	54 Å²	54	52.7 Å²	52.7	35%	0.351	36%	0.361	S	S	.	.			trans	-58.3	142.2	178.1	-29	37.4	0	0	0	113.9	R85 F86	P83-R85 HydrophobicContact CB-CG 3.87Å; P83-R85 PolarHBondContact O-N 2.86Å; P83-F86 HydrophobicContact CB-CD2 4.08Å; P83-F86 HydrophobicContact CB-CE2 4.25Å; P83-F86 HydrophobicContact CG-CD2 4.39Å; P83-F86 HydrophobicContact CG-CE2 4.2Å; P83-F86 WeakPolarHBondContact O-CD2 3.28Å; P83-F86 PolarHBondContact O-N 2.82Å
84	A	97.8	Very high	98.3	Very high	104 Å²	104	51.2 Å²	51.2	86%	0.86	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.2	-179.6	0	0	0	0	0	114.7	F86	A84-F86 PolarHBondContact O-N 2.85Å
85	R	98.3	Very high	98.3	Very high	33 Å²	33	50.5 Å²	50.5	13%	0.125	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.4	171.3	64.1	160.4	-176.6	-76.4	-0.3	113.3	P83 I99 H100 P101 E103 D106	P83-R85 HydrophobicContact CB-CG 3.87Å; P83-R85 PolarHBondContact O-N 2.86Å; R85-I99 WeakPolarHBondContact O-CA 3.44Å; R85-H100 WeakPolarHBondContact CA-O 3.42Å; R85-H100 VanDerWaalsContact CB-O 3.26Å; R85-H100 WeakPolarHBondContact CB-O 3.27Å; R85-H100 PolarHBondContact O-N 3.28Å; R85-P101 WeakPolarHBondContact CD-O 3.43Å; R85-E103 IonicContact CZ-OE1 3.12Å; R85-E103 IonicContact CZ-OE2 3.23Å; R85-E103 VanDerWaalsContact CZ-OE2 3.23Å; R85-E103 IonicContact NH1-OE1 3.1Å; R85-E103 PolarHBondContact NH1-OE1 3.07Å; R85-E103 IonicContact NH1-OE2 2.74Å; R85-E103 PolarHBondContact NH1-OE2 3.2Å; R85-E103 IonicContact NH2-OE2 3.54Å; R85-D106 IonicContact CZ-OD1 3.31Å; R85-D106 VanDerWaalsContact CZ-OD1 3.31Å; R85-D106 IonicContact CZ-OD2 3.87Å; R85-D106 IonicContact NE-OD1 3.05Å; R85-D106 PolarHBondContact NE-OD1 2.81Å; R85-D106 VanDerWaalsContact NE-OD1 3.1Å; R85-D106 IonicContact NE-OD2 3.76Å; R85-D106 PolarHBondContact NE-OD2 2.02Å; R85-D106 VanDerWaalsContact NE-OD2 3.12Å; R85-D106 IonicContact NH2-OD1 2.69Å; R85-D106 PolarHBondContact NH2-OD1 2.78Å; R85-D106 IonicContact NH2-OD2 3.88Å
86	F	98.8	Very high	98.3	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.4	174.4	-67.1	-83.8	0	0	0	110.1	L71 V78 V82 P83 A84 L97 N98 I99 D106 Y110	L71-F86 HydrophobicContact CD1-CD1 3.98Å; L71-F86 HydrophobicContact CD1-CD2 4.25Å; L71-F86 HydrophobicContact CD1-CE1 4.14Å; L71-F86 HydrophobicContact CD1-CE2 4.42Å; L71-F86 HydrophobicContact CD1-CG 4.02Å; L71-F86 HydrophobicContact CD1-CZ 4.36Å; L71-F86 HydrophobicContact CD2-CD1 3.69Å; L71-F86 HydrophobicContact CD2-CE1 4.05Å; L71-F86 HydrophobicContact CD2-CG 4.36Å; L71-F86 HydrophobicContact CG-CD1 4.2Å; L71-F86 HydrophobicContact CG-CG 4.4Å; V78-F86 WeakPolarHBondContact CG2-O 3.34Å; V82-F86 HydrophobicContact CG1-CB 3.9Å; V82-F86 HydrophobicContact CG1-CD2 3.64Å; V82-F86 HydrophobicContact CG1-CE2 4.44Å; V82-F86 HydrophobicContact CG1-CG 3.96Å; P83-F86 HydrophobicContact CB-CD2 4.08Å; P83-F86 HydrophobicContact CB-CE2 4.25Å; P83-F86 HydrophobicContact CG-CD2 4.39Å; P83-F86 HydrophobicContact CG-CE2 4.2Å; P83-F86 WeakPolarHBondContact O-CD2 3.28Å; P83-F86 PolarHBondContact O-N 2.82Å; A84-F86 PolarHBondContact O-N 2.85Å; F86-L97 HydrophobicContact CD1-CD1 4.47Å; F86-N98 CarbonylContact C-O 3.59Å; F86-N98 WeakPolarHBondContact CA-O 3.31Å; F86-I99 HydrophobicContact CD1-CB 4.4Å; F86-I99 HydrophobicContact CD1-CD1 4.26Å; F86-I99 HydrophobicContact CD1-CG1 3.74Å; F86-I99 HydrophobicContact CD1-CG2 4.14Å; F86-I99 HydrophobicContact CE1-CB 4.35Å; F86-I99 HydrophobicContact CE1-CD1 3.71Å; F86-I99 HydrophobicContact CE1-CG1 3.69Å; F86-I99 HydrophobicContact CE1-CG2 3.83Å; F86-I99 HydrophobicContact CZ-CG2 4.21Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.35Å; F86-Y110 AromaticContact CE1-CE1 3.98Å; F86-Y110 HydrophobicContact CE1-CE1 3.98Å
87	S	98.7	Very high	98.4	Very high	57 Å²	57	48.2 Å²	48.2	40%	0.399	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147.5	173.7	53.7	0	0	0	0	111	N98	S87-N98 PolarHBondContact N-O 3.01Å; S87-N98 PolarHBondContact O-N 3.28Å; S87-N98 WeakPolarHBondContact OG-CB 3.43Å
88	G	98.7	Very high	98.4	Very high	11 Å²	11	46 Å²	46	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.1	178.5	0	0	0	0	0	109.6	A75 S76 S96	A75-G88 CarbonylContact O-C 3.5Å; A75-G88 WeakPolarHBondContact O-CA 3.31Å; S76-G88 WeakPolarHBondContact CA-O 3.48Å; S76-G88 WeakPolarHBondContact CB-O 3.24Å; G88-S96 WeakPolarHBondContact CA-O 3.22Å
89	S	98.3	Very high	98.4	Very high	54 Å²	54	43.7 Å²	43.7	38%	0.378	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.8	175	67.2	0	0	0	0	110.7	A75 F95 S96	A75-S89 PolarHBondContact O-N 3.01Å; S89-F95 CarbonylContact O-C 3.56Å; S89-F95 VanDerWaalsContact O-CA 3.28Å; S89-F95 WeakPolarHBondContact O-CA 3.22Å; S89-S96 PolarHBondContact N-O 2.98Å; S89-S96 PolarHBondContact O-N 2.91Å; S89-S96 PolarHBondContact OG-OG 2.82Å
90	G	98.2	Very high	98.4	Very high	36 Å²	36	45 Å²	45	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.4	166.5	177.3	0	0	0	0	0	113.3	D94 F95	G90-D94 CarbonylContact C-O 3.58Å; G90-D94 WeakPolarHBondContact CA-O 3.39Å; G90-F95 VanDerWaalsContact C-CE1 3.49Å
91	S	98	Very high	98.4	Very high	80 Å²	80	42.6 Å²	42.6	56%	0.559	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.2	162.2	177.3	63.9	0	0	0	0	109.4	S55 T93 D94	S55-S91 WeakPolarHBondContact OG-CA 3.01Å; S91-T93 PolarHBondContact O-N 2.84Å; S91-D94 PolarHBondContact N-O 3.16Å; S91-D94 PolarHBondContact O-N 3.39Å
92	G	97.6	Very high	98.5	Very high	20 Å²	20	39.3 Å²	39.3	21%	0.206	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-106.9	-179	0	0	0	0	0	111.3	S48 V49 F95	S48-G92 WeakPolarHBondContact CA-O 3.01Å; V49-G92 PolarHBondContact N-O 3.4Å; G92-F95 WeakPolarHBondContact O-CE2 3.29Å; G92-F95 WeakPolarHBondContact O-CZ 3.4Å
93	T	98.3	Very high	98.5	Very high	48 Å²	48	42.1 Å²	42.1	29%	0.294	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-17.6	-175.9	46.5	0	0	0	0	114.3	R44 A45 S91	R44-T93 CarbonylContact C-O 3.57Å; R44-T93 VanDerWaalsContact CA-O 3.24Å; R44-T93 WeakPolarHBondContact CA-O 3.41Å; A45-T93 PolarHBondContact N-O 2.84Å; S91-T93 PolarHBondContact O-N 2.84Å
94	D	98.7	Very high	98.4	Very high	68 Å²	68	46.8 Å²	46.8	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	-165.9	-66.4	-91.9	0	0	0	111.1	R44 G90 S91	R44-D94 IonicContact CZ-OD1 3.17Å; R44-D94 IonicContact NE-OD1 2.78Å; R44-D94 PolarHBondContact NE-OD1 3.18Å; R44-D94 IonicContact NH2-OD1 2.73Å; R44-D94 PolarHBondContact NH2-OD1 2.59Å; G90-D94 CarbonylContact C-O 3.58Å; G90-D94 WeakPolarHBondContact CA-O 3.39Å; S91-D94 PolarHBondContact N-O 3.16Å; S91-D94 PolarHBondContact O-N 3.39Å
95	F	98.8	Very high	98.3	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.5	-174.9	-59.1	-85.1	0	0	0	111.7	S42 C43 V49 M57 A75 S89 G90 G92	S42-F95 CarbonylContact C-O 3.05Å; S42-F95 WeakPolarHBondContact CA-O 3.4Å; C43-F95 HydrophobicContact CB-CB 4.39Å; C43-F95 PolarHBondContact N-O 2.86Å; C43-F95 PolarHBondContact O-N 2.9Å; V49-F95 HydrophobicContact CG2-CE1 4.33Å; V49-F95 HydrophobicContact CG2-CE2 3.45Å; V49-F95 VanDerWaalsContact CG2-CE2 3.45Å; V49-F95 HydrophobicContact CG2-CZ 3.27Å; M57-F95 HydrophobicContact CB-CD1 3.6Å; M57-F95 HydrophobicContact CB-CD2 4.18Å; M57-F95 HydrophobicContact CB-CE1 3.64Å; M57-F95 HydrophobicContact CB-CE2 4.21Å; M57-F95 HydrophobicContact CB-CG 3.89Å; M57-F95 HydrophobicContact CB-CZ 3.96Å; M57-F95 HydrophobicContact CE-CD2 3.43Å; M57-F95 VanDerWaalsContact CE-CD2 3.43Å; M57-F95 HydrophobicContact CE-CE2 3.72Å; M57-F95 HydrophobicContact CE-CG 4.06Å; M57-F95 HydrophobicContact CG-CB 3.93Å; M57-F95 HydrophobicContact CG-CD1 3.74Å; M57-F95 HydrophobicContact CG-CD2 3.97Å; M57-F95 HydrophobicContact CG-CE1 4.27Å; M57-F95 HydrophobicContact CG-CE2 4.47Å; M57-F95 HydrophobicContact CG-CG 3.57Å; M57-F95 HydrophobicContact SD-CD2 4.44Å; A75-F95 HydrophobicContact CB-CD1 3.73Å; A75-F95 HydrophobicContact CB-CE1 3.67Å; S89-F95 CarbonylContact O-C 3.56Å; S89-F95 VanDerWaalsContact O-CA 3.28Å; S89-F95 WeakPolarHBondContact O-CA 3.22Å; G90-F95 VanDerWaalsContact C-CE1 3.49Å; G92-F95 WeakPolarHBondContact O-CE2 3.29Å; G92-F95 WeakPolarHBondContact O-CZ 3.4Å
96	S	98.8	Very high	98.3	Very high	20 Å²	20	45.8 Å²	45.8	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.8	172.6	76.5	0	0	0	0	112.6	I41 G88 S89 N98	I41-S96 CarbonylContact O-C 3.59Å; I41-S96 WeakPolarHBondContact O-CA 3.21Å; G88-S96 WeakPolarHBondContact CA-O 3.22Å; S89-S96 PolarHBondContact N-O 2.98Å; S89-S96 PolarHBondContact O-N 2.91Å; S89-S96 PolarHBondContact OG-OG 2.82Å; S96-N98 PolarHBondContact OG-ND2 3.33Å
97	L	98.9	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.5	164.5	172.8	64.6	0	0	0	108.2	T40 I41 W59 L71 I72 F86 Y110	T40-L97 CarbonylContact C-O 3.57Å; T40-L97 VanDerWaalsContact CA-O 3.32Å; T40-L97 WeakPolarHBondContact CA-O 3.26Å; I41-L97 HydrophobicContact CB-CB 4.43Å; I41-L97 HydrophobicContact CD1-CD2 4.4Å; I41-L97 PolarHBondContact N-O 3.42Å; I41-L97 PolarHBondContact O-N 2.79Å; W59-L97 HydrophobicContact CD2-CB 3.59Å; W59-L97 HydrophobicContact CD2-CD2 4.17Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.74Å; W59-L97 HydrophobicContact CE3-CD2 3.81Å; W59-L97 HydrophobicContact CE3-CG 4.38Å; W59-L97 HydrophobicContact CG-CB 4.15Å; W59-L97 HydrophobicContact CG-CD1 4.42Å; W59-L97 HydrophobicContact CG-CD2 4.49Å; W59-L97 HydrophobicContact CH2-CB 3.9Å; W59-L97 HydrophobicContact CZ2-CB 3.78Å; W59-L97 HydrophobicContact CZ3-CB 3.89Å; W59-L97 HydrophobicContact CZ3-CD2 4.32Å; L71-L97 HydrophobicContact CD2-CD1 3.7Å; L71-L97 HydrophobicContact CD2-CD2 3.85Å; L71-L97 HydrophobicContact CD2-CG 4.45Å; I72-L97 HydrophobicContact CD1-CD1 3.49Å; I72-L97 VanDerWaalsContact CD1-CD1 3.49Å; I72-L97 HydrophobicContact CG1-CD1 4.31Å; F86-L97 HydrophobicContact CD1-CD1 4.47Å; L97-Y110 HydrophobicContact CD2-CD1 3.47Å; L97-Y110 VanDerWaalsContact CD2-CD1 3.47Å; L97-Y110 HydrophobicContact CD2-CE1 4.08Å; L97-Y110 HydrophobicContact CD2-CG 4.04Å
98	N	98.7	Very high	98.3	Very high	25 Å²	25	50.5 Å²	50.5	13%	0.134	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.2	177.8	-64	-82.4	0	0	0	109.9	A39 T40 F86 S87 S96	A39-N98 WeakPolarHBondContact O-CA 3.45Å; T40-N98 WeakPolarHBondContact CG2-OD1 3.26Å; T40-N98 PolarHBondContact OG1-OD1 3.39Å; F86-N98 CarbonylContact C-O 3.59Å; F86-N98 WeakPolarHBondContact CA-O 3.31Å; S87-N98 PolarHBondContact N-O 3.01Å; S87-N98 PolarHBondContact O-N 3.28Å; S87-N98 WeakPolarHBondContact OG-CB 3.43Å; S96-N98 PolarHBondContact OG-ND2 3.33Å
99	I	98.8	Very high	98.3	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.1	176.2	-44.6	174.2	0	0	0	107.1	R38 A39 R85 F86 V102 D106 Y110	R38-I99 WeakPolarHBondContact CA-O 3.23Å; A39-I99 HydrophobicContact CB-CB 4.28Å; A39-I99 PolarHBondContact N-O 2.86Å; A39-I99 PolarHBondContact O-N 2.97Å; R85-I99 WeakPolarHBondContact O-CA 3.44Å; F86-I99 HydrophobicContact CD1-CB 4.4Å; F86-I99 HydrophobicContact CD1-CD1 4.26Å; F86-I99 HydrophobicContact CD1-CG1 3.74Å; F86-I99 HydrophobicContact CD1-CG2 4.14Å; F86-I99 HydrophobicContact CE1-CB 4.35Å; F86-I99 HydrophobicContact CE1-CD1 3.71Å; F86-I99 HydrophobicContact CE1-CG1 3.69Å; F86-I99 HydrophobicContact CE1-CG2 3.83Å; F86-I99 HydrophobicContact CZ-CG2 4.21Å; I99-V102 HydrophobicContact CB-CG2 4.3Å; I99-V102 HydrophobicContact CG2-CG2 4.23Å; I99-D106 WeakPolarHBondContact CG2-OD2 3.35Å; I99-Y110 HydrophobicContact CD1-CE1 4.03Å; I99-Y110 HydrophobicContact CD1-CE2 4.13Å
100	H	98.6	Very high	98.3	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.417	30%	0.3	S	S	.	.	S	Bend	trans	-157.1	124.8	177.4	-176.4	63	0	0	0	112.5	G36 Q37 R38 R85	G36-H100 PolarHBondContact O-CE1 3.26Å; G36-H100 VanDerWaalsContact O-CE1 3.28Å; Q37-H100 PolarHBondContact O-ND1 2.82Å; R38-H100 HydrophobicContact CB-CB 4.2Å; R38-H100 HydrophobicContact CG-CB 4.21Å; R85-H100 WeakPolarHBondContact CA-O 3.42Å; R85-H100 VanDerWaalsContact CB-O 3.26Å; R85-H100 WeakPolarHBondContact CB-O 3.27Å; R85-H100 PolarHBondContact O-N 3.28Å
101	P	98.7	Very high	98.3	Very high	59 Å²	59	55.4 Å²	55.4	38%	0.383	30%	0.298	S	S	.	.	S	Bend	cis	-71.7	146.7	-4.8	29.3	-33.9	0	0	0	112.3	R85	R85-P101 WeakPolarHBondContact CD-O 3.43Å
102	V	98.7	Very high	98.3	Very high	18 Å²	18	52.2 Å²	52.2	11%	0.109	28%	0.276	C	S	.	.			trans	-67.7	134.3	168	170.4	0	0	0	0	110.3	V33 L35 G36 Q37 A39 I99 D106	V33-V102 HydrophobicContact CG1-CB 4.36Å; V33-V102 HydrophobicContact CG1-CG2 3.9Å; L35-V102 WeakPolarHBondContact CA-O 3.44Å; L35-V102 HydrophobicContact CD2-CG1 4.49Å; G36-V102 PolarHBondContact N-O 3.17Å; Q37-V102 WeakPolarHBondContact O-CG2 3.46Å; Q37-V102 PolarHBondContact O-N 2.93Å; A39-V102 HydrophobicContact CB-CG2 3.73Å; I99-V102 HydrophobicContact CB-CG2 4.3Å; I99-V102 HydrophobicContact CG2-CG2 4.23Å; V102-D106 HydrophobicContact CG1-CB 4.47Å
103	E	98.5	Very high	98.3	Very high	88 Å²	88	55.2 Å²	55.2	41%	0.411	28%	0.284	S	S	.	.			trans	-117.8	165.3	177.8	-70.3	172.8	-156.5	0	0	111.6	L35 R85 D105 D106	L35-E103 VanDerWaalsContact CD2-C 3.5Å; R85-E103 IonicContact CZ-OE1 3.12Å; R85-E103 IonicContact CZ-OE2 3.23Å; R85-E103 VanDerWaalsContact CZ-OE2 3.23Å; R85-E103 IonicContact NH1-OE1 3.1Å; R85-E103 PolarHBondContact NH1-OE1 3.07Å; R85-E103 IonicContact NH1-OE2 2.74Å; R85-E103 PolarHBondContact NH1-OE2 3.2Å; R85-E103 IonicContact NH2-OE2 3.54Å; E103-D105 PolarHBondContact O-N 3.46Å; E103-D106 PolarHBondContact N-OD2 3.35Å; E103-D106 WeakPolarHBondContact O-CB 3.07Å; E103-D106 PolarHBondContact O-N 2.93Å; E103-D106 VanDerWaalsContact O-N 3.15Å
104	E	96.7	Very high	98.2	Very high	152 Å²	152	54 Å²	54	71%	0.71	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32	178.9	-65.7	-179.6	178.3	0	0	112.4	L35 D106 I107	L35-E104 HydrophobicContact CD1-CG 3.76Å; L35-E104 HydrophobicContact CD2-CG 3.99Å; E104-D106 PolarHBondContact O-N 3.26Å; E104-I107 WeakPolarHBondContact O-CG1 3.44Å
105	D	96.5	Very high	98.1	Very high	103 Å²	103	52.8 Å²	52.8	55%	0.551	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-81.6	4	-174.9	-143.1	26.5	0	0	0	113.3	K63 E103	K63-D105 WeakPolarHBondContact CE-O 3.44Å; K63-D105 PolarHBondContact NZ-O 3.36Å; K63-D105 VanDerWaalsContact NZ-O 3.16Å; K63-D105 IonicContact NZ-OD1 2.91Å; K63-D105 PolarHBondContact NZ-OD1 2.94Å; K63-D105 IonicContact NZ-OD2 2.74Å; K63-D105 PolarHBondContact NZ-OD2 2.97Å; E103-D105 PolarHBondContact O-N 3.46Å
106	D	98.2	Very high	97.9	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.07	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-90.3	2.1	177.1	-63.8	-29.8	0	0	0	113.5	R85 F86 I99 V102 E103 E104 A108 Y110	R85-D106 IonicContact CZ-OD1 3.31Å; R85-D106 VanDerWaalsContact CZ-OD1 3.31Å; R85-D106 IonicContact CZ-OD2 3.87Å; R85-D106 IonicContact NE-OD1 3.05Å; R85-D106 PolarHBondContact NE-OD1 2.81Å; R85-D106 VanDerWaalsContact NE-OD1 3.1Å; R85-D106 IonicContact NE-OD2 3.76Å; R85-D106 PolarHBondContact NE-OD2 2.02Å; R85-D106 VanDerWaalsContact NE-OD2 3.12Å; R85-D106 IonicContact NH2-OD1 2.69Å; R85-D106 PolarHBondContact NH2-OD1 2.78Å; R85-D106 IonicContact NH2-OD2 3.88Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.35Å; I99-D106 WeakPolarHBondContact CG2-OD2 3.35Å; V102-D106 HydrophobicContact CG1-CB 4.47Å; E103-D106 PolarHBondContact N-OD2 3.35Å; E103-D106 WeakPolarHBondContact O-CB 3.07Å; E103-D106 PolarHBondContact O-N 2.93Å; E103-D106 VanDerWaalsContact O-N 3.15Å; E104-D106 PolarHBondContact O-N 3.26Å; D106-A108 PolarHBondContact O-N 2.89Å; D106-Y110 PolarHBondContact O-OH 3.11Å; D106-Y110 VanDerWaalsContact O-OH 3.11Å
107	I	97.9	Very high	97.4	Very high	133 Å²	133	60.1 Å²	60.1	68%	0.682	30%	0.299	S	S	*	.			trans	-68.9	98.3	173.5	-59	171.3	0	0	0	109.3	E104	E104-I107 WeakPolarHBondContact O-CG1 3.44Å
108	A	98.2	Very high	96.5	Very high	27 Å²	27	65.3 Å²	65.3	22%	0.223	33%	0.33	C	S	.	.	S	Bend	trans	-157.5	167.8	-177	0	0	0	0	0	111.4	Q61 Q62 K63 D106 Y110	Q61-A108 HydrophobicContact CG-CB 3.5Å; Q61-A108 VanDerWaalsContact CG-CB 3.5Å; Q62-A108 WeakPolarHBondContact O-CB 3.31Å; K63-A108 HydrophobicContact CG-CB 4.18Å; D106-A108 PolarHBondContact O-N 2.89Å; A108-Y110 HydrophobicContact CB-CE2 3.92Å
109	M	98.4	Very high	94.9	Very high	103 Å²	103	72.3 Å²	72.3	51%	0.507	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	142.7	161.8	-59.7	-175.6	-62	0	0	109.5	Q62 F111	Q62-M109 HydrophobicContact CB-CB 4.44Å; Q62-M109 HydrophobicContact CB-CE 4.29Å; Q62-M109 HydrophobicContact CG-CE 4.16Å; Q62-M109 PolarHBondContact N-O 2.62Å; Q62-M109 PolarHBondContact O-N 3.17Å; M109-F111 HydrophobicContact CB-CE1 4.34Å; M109-F111 HydrophobicContact CB-CE2 3.61Å; M109-F111 HydrophobicContact CB-CZ 3.46Å; M109-F111 VanDerWaalsContact CB-CZ 3.46Å; M109-F111 HydrophobicContact CE-CE2 4.22Å; M109-F111 HydrophobicContact CE-CZ 3.85Å; M109-F111 HydrophobicContact CG-CZ 4.27Å; M109-F111 HydrophobicContact SD-CZ 3.93Å
110	Y	98.7	Very high	94.8	Very high	24 Å²	24	75.6 Å²	75.6	9%	0.094	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.9	179.3	-66.3	-91	0	0	0	110.3	Q26 I41 Y60 Q61 L71 F86 L97 I99 D106 A108	Q26-Y110 PolarHBondContact NE2-O 3.02Å; I41-Y110 HydrophobicContact CD1-CD2 4Å; I41-Y110 HydrophobicContact CD1-CG 3.96Å; Y60-Y110 VanDerWaalsContact O-CA 3.31Å; Y60-Y110 WeakPolarHBondContact O-CA 3.24Å; Q61-Y110 HydrophobicContact CB-CD1 4.17Å; Q61-Y110 HydrophobicContact CB-CE1 3.95Å; Q61-Y110 HydrophobicContact CG-CD1 4.24Å; Q61-Y110 HydrophobicContact CG-CE1 3.69Å; Q61-Y110 PolarHBondContact NE2-OH 3.31Å; L71-Y110 HydrophobicContact CD2-CD1 4.09Å; L71-Y110 HydrophobicContact CD2-CE1 3.94Å; F86-Y110 AromaticContact CE1-CE1 3.98Å; F86-Y110 HydrophobicContact CE1-CE1 3.98Å; L97-Y110 HydrophobicContact CD2-CD1 3.47Å; L97-Y110 VanDerWaalsContact CD2-CD1 3.47Å; L97-Y110 HydrophobicContact CD2-CE1 4.08Å; L97-Y110 HydrophobicContact CD2-CG 4.04Å; I99-Y110 HydrophobicContact CD1-CE1 4.03Å; I99-Y110 HydrophobicContact CD1-CE2 4.13Å; D106-Y110 PolarHBondContact O-OH 3.11Å; D106-Y110 VanDerWaalsContact O-OH 3.11Å; A108-Y110 HydrophobicContact CB-CE2 3.92Å
111	F	97.7	Very high	94.6	Very high	78 Å²	78	74.8 Å²	74.8	34%	0.342	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.1	-176.1	-50.5	-77.9	0	0	0	110.5	W59 Y60 Q62 M109	W59-F111 CarbonylContact C-O 3.51Å; W59-F111 WeakPolarHBondContact CA-O 3.45Å; Y60-F111 PolarHBondContact N-O 2.81Å; Y60-F111 PolarHBondContact O-N 3.35Å; Q62-F111 HydrophobicContact CB-CE2 3.93Å; M109-F111 HydrophobicContact CB-CE1 4.34Å; M109-F111 HydrophobicContact CB-CE2 3.61Å; M109-F111 HydrophobicContact CB-CZ 3.46Å; M109-F111 VanDerWaalsContact CB-CZ 3.46Å; M109-F111 HydrophobicContact CE-CE2 4.22Å; M109-F111 HydrophobicContact CE-CZ 3.85Å; M109-F111 HydrophobicContact CG-CZ 4.27Å; M109-F111 HydrophobicContact SD-CZ 3.93Å
112	C	98.4	Very high	94.3	Very high	12 Å²	12	75.7 Å²	75.7	8%	0.081	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.7	165.6	66.5	0	0	0	0	110.3	L24 Q26 C43 M57 Q58 W59	L24-C112 WeakPolarHBondContact CD1-O 3.25Å; Q26-C112 WeakPolarHBondContact CG-SG 3.42Å; Q26-C112 PolarHBondContact OE1-SG 3.47Å; C43-C112 HydrophobicContact CB-CB 3.48Å; C43-C112 VanDerWaalsContact CB-CB 3.48Å; C43-C112 WeakPolarHBondContact CB-SG 3.5Å; C43-C112 WeakPolarHBondContact SG-CB 3.46Å; C43-C112 CovalentContact SG-SG 2.02Å; C43-C112 PolarHBondContact SG-SG 3.12Å; M57-C112 HydrophobicContact SD-CB 3.69Å; Q58-C112 CarbonylContact O-C 3.55Å; Q58-C112 VanDerWaalsContact O-CA 3.23Å; Q58-C112 WeakPolarHBondContact O-CA 3.38Å; W59-C112 HydrophobicContact CD2-CB 4.15Å; W59-C112 HydrophobicContact CE3-CB 3.97Å; W59-C112 HydrophobicContact CH2-CB 4.04Å; W59-C112 HydrophobicContact CZ2-CB 4.18Å; W59-C112 HydrophobicContact CZ3-CB 3.92Å
113	Q	97.6	Very high	94.1	Very high	83 Å²	83	79.1 Å²	79.1	39%	0.388	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.1	174.7	-167.4	-144	-70.4	0	0	107.9	M57 Q58 Y60	M57-Q113 CarbonylContact C-O 3.54Å; Q58-Q113 HydrophobicContact CB-CB 4.5Å; Q58-Q113 PolarHBondContact N-O 2.78Å; Q58-Q113 PolarHBondContact O-N 2.73Å; Q58-Q113 PolarHBondContact OE1-O 2.83Å; Y60-Q113 HydrophobicContact CD2-CB 4.31Å; Y60-Q113 HydrophobicContact CE2-CB 3.86Å; Y60-Q113 PolarHBondContact OH-OE1 2.92Å
114	Q	96.8	Very high	93.8	Very high	22 Å²	22	78.6 Å²	78.6	10%	0.103	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.3	167.7	65.2	77.2	31	0	0	110	I22 L24 V49 L56 M57 K117	I22-Q114 HydrophobicContact CB-CG 4.09Å; I22-Q114 HydrophobicContact CG2-CG 3.93Å; L24-Q114 HydrophobicContact CD1-CB 4.48Å; L24-Q114 HydrophobicContact CD1-CG 4.34Å; L24-Q114 HydrophobicContact CD2-CB 4.37Å; L24-Q114 HydrophobicContact CD2-CG 4.11Å; L24-Q114 HydrophobicContact CG-CG 4.44Å; V49-Q114 HydrophobicContact CB-CB 4.16Å; V49-Q114 HydrophobicContact CG1-CB 3.53Å; V49-Q114 HydrophobicContact CG1-CG 4Å; L56-Q114 CarbonylContact O-C 3.55Å; L56-Q114 VanDerWaalsContact O-CA 3.24Å; L56-Q114 WeakPolarHBondContact O-CA 3.43Å; M57-Q114 HydrophobicContact CE-CB 4.32Å; Q114-K117 PolarHBondContact NE2-O 3.47Å
115	S	95.6	Very high	93.6	Very high	43 Å²	43	73.7 Å²	73.7	30%	0.301	39%	0.39	S	S	.	.			trans	-120	15.7	175.2	71.9	0	0	0	0	113.2	L56 Q58	L56-S115 PolarHBondContact O-N 2.83Å; Q58-S115 PolarHBondContact NE2-OG 2.7Å
116	R	94.5	Very high	93.4	Very high	109 Å²	109	71.6 Å²	71.6	41%	0.411	38%	0.379	S	S	.	.	S	Bend	trans	-74.1	-37.4	178.3	176.2	61.4	-174.7	86.1	-0.5	112.7	I22 V49 E50 L56	I22-R116 HydrophobicContact CD1-CB 4.17Å; I22-R116 HydrophobicContact CD1-CG 4.17Å; V49-R116 HydrophobicContact CB-CB 4.01Å; V49-R116 HydrophobicContact CG1-CB 4.45Å; E50-R116 WeakPolarHBondContact O-CD 3.19Å; E50-R116 PolarHBondContact O-NE 3.11Å; L56-R116 HydrophobicContact CB-CB 4.29Å; L56-R116 HydrophobicContact CD1-CB 4.03Å
117	K	89.4	Confident	93	Very high	74 Å²	74	76.1 Å²	76.1	32%	0.322	40%	0.402	S	S	.	.	S	Bend	trans	-129.4	115.3	178.6	-169.9	172	-171.3	163.8	0	108.4	G20 I22 Q114	G20-K117 VanDerWaalsContact O-CE 3.25Å; G20-K117 WeakPolarHBondContact O-CE 3.4Å; G20-K117 PolarHBondContact O-NZ 2.76Å; I22-K117 HydrophobicContact CD1-CB 3.7Å; I22-K117 HydrophobicContact CG1-CB 3.94Å; I22-K117 HydrophobicContact CG1-CD 4.1Å; Q114-K117 PolarHBondContact NE2-O 3.47Å
118	V	79.4	Confident	92.6	Very high	109 Å²	109	71.3 Å²	71.3	66%	0.661	38%	0.379	S	S	*	.			trans	-103.2	146.7	173.9	-65.7	0	0	0	0	108.3
119	P	66.6	Low	92.1	Very high	172 Å²	172	75.4 Å²	75.4	100%	1.117	39%	0.393	S	S	*	.			trans	-53.5	0	169.9	-25	34.7	0	0	0	113.2

Retrieved 119 of 119 residues in 57.4 ms (Link to these results)

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