A0A075B5L7_MOUSE Loading...

Immunoglobulin kappa variable 4-80

AlphaFold DB , UniProt , Accession A0A075B5L7, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-80, Length 116 aa.

						>A0A075B5L7_MOUSE|A0A075B5L7|Igkv4-80
MDFQVQIFSFLLISASVIMSRGQIVLTQSPAIMSASLGEEITLTCSASSSVSYMHWYQQKSGTSPKLLIYSTSNLASGVPSRFSGSGSGTFYSLTISSVEAEDAADYYCHQWSSYP
					

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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	47.2	Very low	47.5	Very low	220 Å²	220	152.8 Å²	152.8	100%	1.084	76%	0.761	S	S	*	*				0	125.5	0	-61.6	175.5	78.7	0	0	104.1
2	D	42.4	Very low	48	Very low	144 Å²	144	153.8 Å²	153.8	77%	0.77	77%	0.77	S	S	*	*			cis	-159.6	164.2	48.4	-83.7	-64.5	0	0	0	114.2
3	F	51.6	Low	48.7	Very low	179 Å²	179	154 Å²	154	79%	0.785	77%	0.772	S	S	*	*			trans	-63.5	137.2	-174.6	-148.4	-106.1	0	0	0	113.4	V5	F3-V5 HydrophobicContact CD1-CG2 3.89Å; F3-V5 HydrophobicContact CE1-CG2 4.43Å
4	Q	38.7	Very low	49.2	Very low	179 Å²	179	150.6 Å²	150.6	84%	0.836	77%	0.77	S	S	*	*			trans	-92.7	114.2	165.7	-78.5	-81.4	-52.3	0	0	108.7
5	V	50.1	Low	49.7	Very low	106 Å²	106	145.9 Å²	145.9	64%	0.642	76%	0.763	S	S	*	*			trans	-89.8	122.6	170.4	177	0	0	0	0	108	F3 I7	F3-V5 HydrophobicContact CD1-CG2 3.89Å; F3-V5 HydrophobicContact CE1-CG2 4.43Å; V5-I7 HydrophobicContact CG1-CG1 4.11Å
6	Q	40.3	Very low	50.2	Low	147 Å²	147	143.3 Å²	143.3	69%	0.687	76%	0.76	S	S	*	*			trans	-109.5	109.6	179.2	-150.1	162.3	-22	0	0	108.7	F8	Q6-F8 HydrophobicContact CB-CE2 4.35Å; Q6-F8 HydrophobicContact CG-CE2 3.97Å; Q6-F8 HydrophobicContact CG-CZ 4.04Å
7	I	53.4	Low	50.5	Low	135 Å²	135	141.5 Å²	141.5	69%	0.692	76%	0.756	S	S	*	*			trans	-97.2	109.5	177	-65	178.1	0	0	0	107.8	V5 S9	V5-I7 HydrophobicContact CG1-CG1 4.11Å; I7-S9 WeakPolarHBondContact CG2-OG 3.34Å; I7-S9 PolarHBondContact O-N 2.85Å
8	F	47.1	Very low	50.8	Low	143 Å²	143	142.4 Å²	142.4	63%	0.627	76%	0.759	S	S	*	*			trans	-89.3	88.5	170	-67.5	-80.1	0	0	0	109.3	Q6 F10	Q6-F8 HydrophobicContact CB-CE2 4.35Å; Q6-F8 HydrophobicContact CG-CE2 3.97Å; Q6-F8 HydrophobicContact CG-CZ 4.04Å; F8-F10 HydrophobicContact CB-CD2 4.13Å; F8-F10 HydrophobicContact CB-CE2 3.84Å; F8-F10 HydrophobicContact CD1-CE2 4.44Å; F8-F10 HydrophobicContact CG-CE2 4.41Å; F8-F10 PolarHBondContact O-N 3.4Å
9	S	57.8	Low	51	Low	93 Å²	93	142.8 Å²	142.8	65%	0.65	76%	0.758	S	S	*	*			trans	-86.3	89.7	169.9	-63.2	0	0	0	0	109.3	I7 L11	I7-S9 WeakPolarHBondContact CG2-OG 3.34Å; I7-S9 PolarHBondContact O-N 2.85Å; S9-L11 PolarHBondContact O-N 3.12Å
10	F	46.6	Very low	51.7	Low	182 Å²	182	139 Å²	139	80%	0.798	74%	0.743	S	S	*	*			trans	-72.4	73.8	168.5	-72.1	-84.6	0	0	0	109.6	F8 L12	F8-F10 HydrophobicContact CB-CD2 4.13Å; F8-F10 HydrophobicContact CB-CE2 3.84Å; F8-F10 HydrophobicContact CD1-CE2 4.44Å; F8-F10 HydrophobicContact CG-CE2 4.41Å; F8-F10 PolarHBondContact O-N 3.4Å; F10-L12 PolarHBondContact O-N 3.16Å; F10-L12 VanDerWaalsContact O-N 3.11Å
11	L	47.3	Very low	52.3	Low	153 Å²	153	144.6 Å²	144.6	80%	0.801	75%	0.754	S	S	*	*			trans	-69.1	105	165.3	-103.7	146.3	0	0	0	107.2	S9 I13	S9-L11 PolarHBondContact O-N 3.12Å; L11-I13 VanDerWaalsContact C-N 3.28Å; L11-I13 PolarHBondContact O-N 2.73Å
12	L	53.4	Low	53.5	Low	165 Å²	165	136.2 Å²	136.2	86%	0.864	72%	0.724	S	S	*	*			trans	-58.1	90.4	171.8	-70.2	158.4	0	0	0	108.6	F10 S14	F10-L12 PolarHBondContact O-N 3.16Å; F10-L12 VanDerWaalsContact O-N 3.11Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.94Å
13	I	57.8	Low	55.4	Low	156 Å²	156	135 Å²	135	80%	0.8	71%	0.714	S	S	*	*			trans	-66.1	98.8	163.2	-58.8	175.6	0	0	0	104.4	L11 A15	L11-I13 VanDerWaalsContact C-N 3.28Å; L11-I13 PolarHBondContact O-N 2.73Å; I13-A15 PolarHBondContact O-N 3.06Å
14	S	55	Low	57.3	Low	106 Å²	106	127.8 Å²	127.8	74%	0.741	68%	0.683	S	S	*	*			trans	-60	97.8	163.3	44.4	0	0	0	0	105.6	L12 S16	L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.94Å; S14-S16 PolarHBondContact O-N 3.44Å
15	A	57.1	Low	59.9	Low	80 Å²	80	122.8 Å²	122.8	66%	0.661	67%	0.665	S	S	*	*			trans	-63.1	94.5	169.7	0	0	0	0	0	106	I13 V17	I13-A15 PolarHBondContact O-N 3.06Å; A15-V17 PolarHBondContact O-N 3.4Å
16	S	57.1	Low	62	Low	104 Å²	104	120 Å²	120	73%	0.727	65%	0.646	S	S	*	*			trans	-58.5	97.2	156.6	32.3	0	0	0	0	105.4	S14 I18	S14-S16 PolarHBondContact O-N 3.44Å; S16-I18 VanDerWaalsContact C-N 3.26Å; S16-I18 PolarHBondContact O-N 3.34Å
17	V	55.1	Low	64.8	Low	114 Å²	114	117.2 Å²	117.2	69%	0.691	64%	0.639	S	S	*	*			trans	-59.8	98	170.2	179.6	0	0	0	0	105.5	A15 M19	A15-V17 PolarHBondContact O-N 3.4Å; V17-M19 HydrophobicContact CG1-CB 4.24Å; V17-M19 PolarHBondContact O-N 2.86Å
18	I	56.1	Low	66.9	Low	157 Å²	157	114.4 Å²	114.4	81%	0.805	62%	0.623	S	S	*	*			trans	-70.3	84.6	165.1	-57.1	176.2	0	0	0	104.4	S16 S20	S16-I18 VanDerWaalsContact C-N 3.26Å; S16-I18 PolarHBondContact O-N 3.34Å; I18-S20 VanDerWaalsContact C-N 3.25Å; I18-S20 PolarHBondContact O-N 2.92Å
19	M	55.5	Low	69.3	Low	151 Å²	151	110.6 Å²	110.6	74%	0.744	61%	0.614	S	S	*	*			trans	-70.3	91.6	172.1	-164.4	128	59	0	0	106.1	V17 R21	V17-M19 HydrophobicContact CG1-CB 4.24Å; V17-M19 PolarHBondContact O-N 2.86Å; M19-R21 PolarHBondContact O-N 3.36Å
20	S	63.7	Low	71.2	Confident	65 Å²	65	108.6 Å²	108.6	46%	0.455	60%	0.599	S	S	.	*			trans	-56.5	111.4	173.9	179.9	0	0	0	0	108	I18 G22 Q23	I18-S20 VanDerWaalsContact C-N 3.25Å; I18-S20 PolarHBondContact O-N 2.92Å; S20-G22 PolarHBondContact O-N 3.47Å; S20-Q23 PolarHBondContact O-N 3.32Å
21	R	65	Low	73.6	Confident	257 Å²	257	104.8 Å²	104.8	97%	0.97	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	10.9	-171.9	-73.6	-173.2	176.2	-102.1	2.1	114.5	M19	M19-R21 PolarHBondContact O-N 3.36Å
22	G	72.7	Confident	75.9	Confident	45 Å²	45	104.9 Å²	104.9	46%	0.464	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.9	-3.3	-179.9	0	0	0	0	0	115.5	S20 S114	S20-G22 PolarHBondContact O-N 3.47Å; G22-S114 PolarHBondContact O-OG 3.41Å
23	Q	82.8	Confident	77.8	Confident	119 Å²	119	100.6 Å²	100.6	56%	0.556	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-82	125.2	-175.6	-172.2	176	-38.8	0	0	111.3	S20	S20-Q23 PolarHBondContact O-N 3.32Å
24	I	90.1	Very high	79.7	Confident	26 Å²	26	98.6 Å²	98.6	13%	0.133	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-88.4	120.8	169.9	-56.4	-174.7	0	0	0	108	L26 A47 S49 V51 Q111	I24-L26 HydrophobicContact CG2-CD2 4.28Å; I24-A47 HydrophobicContact CG2-CB 4.06Å; I24-S49 WeakPolarHBondContact CD1-OG 3.3Å; I24-S49 WeakPolarHBondContact CG1-OG 3.4Å; I24-V51 HydrophobicContact CD1-CG1 3.7Å; I24-V51 HydrophobicContact CG2-CG1 3.95Å; I24-Q111 HydrophobicContact CB-CG 4.5Å; I24-Q111 HydrophobicContact CG2-CG 4.25Å
25	V	93	Very high	81.6	Confident	74 Å²	74	95.5 Å²	95.5	45%	0.448	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-95.5	131	177.6	-178.6	0	0	0	0	108.6	A47 S48	V25-A47 CarbonylContact O-C 3.6Å; V25-A47 WeakPolarHBondContact O-CA 3.45Å; V25-S48 PolarHBondContact N-OG 3.5Å; V25-S48 PolarHBondContact O-N 3.11Å
26	L	95.6	Very high	83.6	Confident	49 Å²	49	95.6 Å²	95.6	26%	0.257	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	134.1	175.3	-59.2	-177.4	0	0	0	110	I24 S46 A47 M54 C109 Q111	I24-L26 HydrophobicContact CG2-CD2 4.28Å; L26-S46 CarbonylContact C-O 3.55Å; L26-S46 WeakPolarHBondContact CA-O 3.47Å; L26-A47 HydrophobicContact CD2-CB 3.58Å; L26-M54 HydrophobicContact CD1-SD 4.43Å; L26-M54 HydrophobicContact CD2-CE 4.01Å; L26-C109 WeakPolarHBondContact CD1-O 3.08Å; L26-Q111 HydrophobicContact CD1-CB 4.43Å; L26-Q111 HydrophobicContact CD1-CG 4.12Å; L26-Q111 HydrophobicContact CD2-CG 4.14Å; L26-Q111 HydrophobicContact CG-CG 4.39Å
27	T	98	Very high	85.5	Confident	88 Å²	88	96.9 Å²	96.9	54%	0.54	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122	119.9	178.2	-56.5	0	0	0	0	109.4	C45 S46	T27-C45 WeakPolarHBondContact O-CA 3.38Å; T27-S46 PolarHBondContact N-O 2.98Å; T27-S46 PolarHBondContact O-N 2.87Å
28	Q	98.1	Very high	87.5	Confident	75 Å²	75	93.7 Å²	93.7	35%	0.35	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.5	-180	-68.7	177.8	-165.8	0	0	112.1	T44 C45 Y107 C109	Q28-T44 VanDerWaalsContact CA-O 3.26Å; Q28-T44 WeakPolarHBondContact CA-O 3.42Å; Q28-C45 HydrophobicContact CG-CB 4.45Å; Q28-Y107 PolarHBondContact NE2-O 2.86Å; Q28-C109 VanDerWaalsContact CG-SG 3.51Å; Q28-C109 PolarHBondContact OE1-SG 2.9Å
29	S	98.2	Very high	89.5	Confident	64 Å²	64	90.2 Å²	90.2	45%	0.448	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.9	175.4	-176.8	0	0	0	0	112.3	T44	S29-T44 PolarHBondContact N-O 2.88Å; S29-T44 PolarHBondContact O-N 2.94Å; S29-T44 PolarHBondContact O-OG1 3.02Å
30	P	97.7	Very high	91.6	Very high	51 Å²	51	89 Å²	89	33%	0.331	52%	0.515	S	S	.	.			cis	-70.8	162.2	-10.4	32.1	-38.7	0	0	0	112.2	M33 L43	P30-M33 HydrophobicContact CG-CB 3.89Å; P30-M33 HydrophobicContact CG-CG 4.25Å; P30-M33 HydrophobicContact CG-SD 3.83Å; P30-L43 HydrophobicContact CG-CD2 4.35Å
31	A	95.5	Very high	93.2	Very high	102 Å²	102	87 Å²	87	84%	0.843	50%	0.499	S	S	*	.	S	Bend	trans	-71.7	-33.2	177.1	0	0	0	0	0	112.7
32	I	95.7	Very high	94.8	Very high	155 Å²	155	77.4 Å²	77.4	80%	0.795	47%	0.469	S	S	*	.	S	Bend	trans	-139.3	137.5	177.6	-58.3	175.1	0	0	0	106.8
33	M	94.6	Very high	96.1	Very high	75 Å²	75	76.3 Å²	76.3	37%	0.369	45%	0.453	S	S	.	.			trans	-140.1	141.7	178	-168.7	159.2	56.4	0	0	110.2	P30 I41 L43	P30-M33 HydrophobicContact CG-CB 3.89Å; P30-M33 HydrophobicContact CG-CG 4.25Å; P30-M33 HydrophobicContact CG-SD 3.83Å; M33-I41 HydrophobicContact CE-CB 3.54Å; M33-I41 HydrophobicContact CE-CD1 3.44Å; M33-I41 VanDerWaalsContact CE-CD1 3.44Å; M33-I41 HydrophobicContact CE-CG1 3.92Å; M33-I41 HydrophobicContact CE-CG2 4.05Å; M33-I41 HydrophobicContact SD-CB 4.1Å; M33-I41 HydrophobicContact SD-CG2 4.17Å; M33-L43 HydrophobicContact CE-CD2 3.48Å; M33-L43 VanDerWaalsContact CE-CD2 3.48Å; M33-L43 HydrophobicContact CE-CG 4.03Å
34	S	96.2	Very high	96.8	Very high	113 Å²	113	73.2 Å²	73.2	79%	0.79	44%	0.442	S	S	*	.			trans	-115.6	138.4	170	54.9	0	0	0	0	108.7
35	A	96	Very high	97.2	Very high	42 Å²	42	72 Å²	72	35%	0.347	44%	0.436	S	S	.	.			trans	-139.7	151.1	-179.2	0	0	0	0	0	110.5	E39 I41 V99	A35-E39 HydrophobicContact CB-CB 4.45Å; A35-I41 HydrophobicContact CB-CG2 3.55Å; A35-V99 HydrophobicContact CB-CB 4.48Å; A35-V99 HydrophobicContact CB-CG1 4.34Å; A35-V99 HydrophobicContact CB-CG2 4.08Å
36	S	98	Very high	97.4	Very high	81 Å²	81	70.1 Å²	70.1	57%	0.566	43%	0.426	S	S	*	.			trans	-81.9	155.2	171.2	-54.7	0	0	0	0	110.7	G38 E39	S36-G38 PolarHBondContact O-N 2.96Å; S36-E39 PolarHBondContact N-OE2 3.22Å; S36-E39 WeakPolarHBondContact O-CB 3.33Å; S36-E39 PolarHBondContact O-N 2.84Å
37	L	98.1	Very high	97.4	Very high	131 Å²	131	68.2 Å²	68.2	69%	0.686	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	132.8	173	-63.3	177	0	0	0	110.3	E39 V99 A101	L37-E39 VanDerWaalsContact C-N 3.26Å; L37-E39 PolarHBondContact O-N 3.27Å; L37-V99 WeakPolarHBondContact CA-O 3.02Å; L37-A101 HydrophobicContact CD2-CB 4.29Å
38	G	98.1	Very high	97.3	Very high	48 Å²	48	67.7 Å²	67.7	50%	0.495	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-3.4	-175.7	0	0	0	0	0	115.2	S36 V99	S36-G38 PolarHBondContact O-N 2.96Å; G38-V99 PolarHBondContact N-O 3.2Å
39	E	98.1	Very high	97.1	Very high	84 Å²	84	66.6 Å²	66.6	39%	0.393	42%	0.418	S	S	.	.			trans	-71.2	145.4	173.7	-169.3	174.2	162.7	0	0	110.7	A35 S36 L37 I41 V99	A35-E39 HydrophobicContact CB-CB 4.45Å; S36-E39 PolarHBondContact N-OE2 3.22Å; S36-E39 WeakPolarHBondContact O-CB 3.33Å; S36-E39 PolarHBondContact O-N 2.84Å; L37-E39 VanDerWaalsContact C-N 3.26Å; L37-E39 PolarHBondContact O-N 3.27Å; E39-I41 HydrophobicContact CG-CG2 4.49Å; E39-V99 WeakPolarHBondContact O-CG2 3.42Å; E39-V99 PolarHBondContact O-N 2.81Å
40	E	98.6	Very high	96.9	Very high	124 Å²	124	67.6 Å²	67.6	58%	0.579	43%	0.425	S	S	*	.			trans	-87.7	130.6	168.6	176	173.6	109.4	0	0	109.7	T95 I96	E40-T95 HydrophobicContact CG-CG2 3.88Å; E40-I96 VanDerWaalsContact CA-O 3.27Å; E40-I96 WeakPolarHBondContact CA-O 3.02Å
41	I	98	Very high	96.7	Very high	23 Å²	23	65.3 Å²	65.3	12%	0.118	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.5	174.6	60.4	171.1	0	0	0	112.1	M33 A35 E39 T95 I96 V99	M33-I41 HydrophobicContact CE-CB 3.54Å; M33-I41 HydrophobicContact CE-CD1 3.44Å; M33-I41 VanDerWaalsContact CE-CD1 3.44Å; M33-I41 HydrophobicContact CE-CG1 3.92Å; M33-I41 HydrophobicContact CE-CG2 4.05Å; M33-I41 HydrophobicContact SD-CB 4.1Å; M33-I41 HydrophobicContact SD-CG2 4.17Å; A35-I41 HydrophobicContact CB-CG2 3.55Å; E39-I41 HydrophobicContact CG-CG2 4.49Å; I41-T95 CarbonylContact O-C 3.54Å; I41-T95 VanDerWaalsContact O-CA 3.3Å; I41-T95 WeakPolarHBondContact O-CA 3.26Å; I41-I96 HydrophobicContact CD1-CB 4.45Å; I41-I96 HydrophobicContact CD1-CD1 3.92Å; I41-I96 HydrophobicContact CD1-CG1 4.38Å; I41-I96 HydrophobicContact CG1-CB 3.85Å; I41-I96 HydrophobicContact CG1-CD1 4.23Å; I41-I96 HydrophobicContact CG1-CG1 4.13Å; I41-I96 PolarHBondContact N-O 2.8Å; I41-I96 PolarHBondContact O-N 2.83Å; I41-V99 HydrophobicContact CD1-CG2 3.64Å; I41-V99 HydrophobicContact CG1-CG2 3.61Å; I41-V99 HydrophobicContact CG2-CG2 4.23Å
42	T	98.5	Very high	96.4	Very high	57 Å²	57	64.5 Å²	64.5	35%	0.35	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.6	176.3	-64.8	0	0	0	0	110.6	T44 L94 T95	T42-T44 HydrophobicContact CG2-CG2 4.45Å; T42-L94 CarbonylContact C-O 3.17Å; T42-L94 WeakPolarHBondContact CA-O 3.47Å; T42-T95 PolarHBondContact OG1-OG1 2.8Å
43	L	98.5	Very high	96.2	Very high	22 Å²	22	63 Å²	63	12%	0.115	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146	167.5	-64.3	176.2	0	0	0	109.1	P30 M33 W56 S93 L94 Y107	P30-L43 HydrophobicContact CG-CD2 4.35Å; M33-L43 HydrophobicContact CE-CD2 3.48Å; M33-L43 VanDerWaalsContact CE-CD2 3.48Å; M33-L43 HydrophobicContact CE-CG 4.03Å; L43-W56 HydrophobicContact CB-CH2 4.15Å; L43-W56 HydrophobicContact CB-CZ3 4.28Å; L43-S93 CarbonylContact O-C 3.57Å; L43-S93 WeakPolarHBondContact O-CA 3.5Å; L43-S93 WeakPolarHBondContact O-CB 3.29Å; L43-L94 HydrophobicContact CB-CB 4.37Å; L43-L94 HydrophobicContact CD1-CD2 4.24Å; L43-L94 PolarHBondContact N-O 2.03Å; L43-L94 PolarHBondContact O-N 2.94Å; L43-Y107 HydrophobicContact CD1-CD2 3.86Å; L43-Y107 HydrophobicContact CD1-CG 3.74Å
44	T	98.5	Very high	96.3	Very high	54 Å²	54	59.4 Å²	59.4	33%	0.331	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.3	179.1	60.1	0	0	0	0	111.1	Q28 S29 T42 Y92	Q28-T44 VanDerWaalsContact CA-O 3.26Å; Q28-T44 WeakPolarHBondContact CA-O 3.42Å; S29-T44 PolarHBondContact N-O 2.88Å; S29-T44 PolarHBondContact O-N 2.94Å; S29-T44 PolarHBondContact O-OG1 3.02Å; T42-T44 HydrophobicContact CG2-CG2 4.45Å; T44-Y92 CarbonylContact C-O 3.58Å; T44-Y92 WeakPolarHBondContact CA-O 3.3Å
45	C	98.2	Very high	96.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116.2	173.9	178.1	0	0	0	0	109.2	T27 Q28 W56 Y92 C109	T27-C45 WeakPolarHBondContact O-CA 3.38Å; Q28-C45 HydrophobicContact CG-CB 4.45Å; C45-W56 HydrophobicContact CB-CH2 3.71Å; C45-W56 HydrophobicContact CB-CZ2 3.74Å; C45-Y92 PolarHBondContact N-O 2.84Å; C45-Y92 PolarHBondContact O-N 3Å; C45-C109 HydrophobicContact CB-CB 3.46Å; C45-C109 VanDerWaalsContact CB-CB 3.46Å; C45-C109 WeakPolarHBondContact CB-SG 3.36Å; C45-C109 WeakPolarHBondContact SG-CB 3.45Å; C45-C109 CovalentContact SG-SG 2.03Å; C45-C109 PolarHBondContact SG-SG 3.34Å
46	S	97.9	Very high	96.5	Very high	34 Å²	34	53.1 Å²	53.1	24%	0.238	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.3	176.9	-56.7	0	0	0	0	110	L26 T27 T90 F91	L26-S46 CarbonylContact C-O 3.55Å; L26-S46 WeakPolarHBondContact CA-O 3.47Å; T27-S46 PolarHBondContact N-O 2.98Å; T27-S46 PolarHBondContact O-N 2.87Å; S46-T90 CarbonylContact C-O 3.52Å; S46-T90 VanDerWaalsContact CA-O 3.26Å; S46-T90 WeakPolarHBondContact CA-O 3.46Å; S46-F91 WeakPolarHBondContact OG-CD1 3.15Å; S46-F91 WeakPolarHBondContact OG-CE1 3.28Å
47	A	95.9	Very high	96.5	Very high	9 Å²	9	52.6 Å²	52.6	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.7	174.2	0	0	0	0	0	110.9	I24 V25 L26 S49 V51 T90	I24-A47 HydrophobicContact CG2-CB 4.06Å; V25-A47 CarbonylContact O-C 3.6Å; V25-A47 WeakPolarHBondContact O-CA 3.45Å; L26-A47 HydrophobicContact CD2-CB 3.58Å; A47-S49 VanDerWaalsContact CB-O 3.26Å; A47-S49 WeakPolarHBondContact CB-O 3.36Å; A47-S49 PolarHBondContact O-N 2.82Å; A47-V51 HydrophobicContact CB-CG1 4.14Å; A47-V51 HydrophobicContact CB-CG2 4.4Å; A47-T90 PolarHBondContact N-O 2.82Å; A47-T90 WeakPolarHBondContact O-CB 3.37Å
48	S	94.5	Very high	96.5	Very high	77 Å²	77	47.7 Å²	47.7	54%	0.538	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-14.3	177.7	63.4	0	0	0	0	114.1	V25	V25-S48 PolarHBondContact N-OG 3.5Å; V25-S48 PolarHBondContact O-N 3.11Å
49	S	93.5	Very high	96.6	Very high	52 Å²	52	47.8 Å²	47.8	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.3	173.8	61.8	0	0	0	0	109.8	I24 A47 V51	I24-S49 WeakPolarHBondContact CD1-OG 3.3Å; I24-S49 WeakPolarHBondContact CG1-OG 3.4Å; A47-S49 VanDerWaalsContact CB-O 3.26Å; A47-S49 WeakPolarHBondContact CB-O 3.36Å; A47-S49 PolarHBondContact O-N 2.82Å; S49-V51 PolarHBondContact O-N 2.85Å
50	S	93.8	Very high	96.5	Very high	85 Å²	85	47.6 Å²	47.6	59%	0.594	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	129.2	-179.2	-174.9	0	0	0	0	111	G89	S50-G89 WeakPolarHBondContact CA-O 3.32Å; S50-G89 WeakPolarHBondContact OG-CA 3.36Å
51	V	93.5	Very high	96.3	Very high	4 Å²	4	47 Å²	47	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.3	171.4	-59.6	0	0	0	0	110.1	I24 A47 S49 M54 G89 Y92 Q111 S113	I24-V51 HydrophobicContact CD1-CG1 3.7Å; I24-V51 HydrophobicContact CG2-CG1 3.95Å; A47-V51 HydrophobicContact CB-CG1 4.14Å; A47-V51 HydrophobicContact CB-CG2 4.4Å; S49-V51 PolarHBondContact O-N 2.85Å; V51-M54 HydrophobicContact CG2-CE 4.01Å; V51-G89 PolarHBondContact N-O 2.96Å; V51-Y92 HydrophobicContact CG2-CD2 4.32Å; V51-Y92 HydrophobicContact CG2-CE2 3.35Å; V51-Y92 WeakPolarHBondContact CG2-OH 2.96Å; V51-Y92 PolarHBondContact O-OH 2.85Å; V51-Q111 HydrophobicContact CB-CB 4.07Å; V51-Q111 HydrophobicContact CG1-CB 3.78Å; V51-Q111 HydrophobicContact CG1-CG 3.95Å; V51-Q111 HydrophobicContact CG2-CB 4.22Å; V51-S113 WeakPolarHBondContact CA-OG 3.4Å
52	S	90.8	Very high	96.1	Very high	84 Å²	84	50.3 Å²	50.3	59%	0.587	31%	0.31	S	S	*	.	S	Bend	trans	-85.6	-38	-178.3	-59.9	0	0	0	0	112.9	S113	S52-S113 PolarHBondContact N-OG 3.11Å
53	Y	92	Very high	96	Very high	124 Å²	124	50.4 Å²	50.4	49%	0.486	31%	0.311	S	S	.	.			trans	-139.6	137.9	-176.2	-59.8	-59.4	0	0	0	110.3
54	M	96.2	Very high	96	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.4	170.3	-168.8	59.6	70.3	0	0	110.2	L26 V51 T72 Y92 C109 H110 Q111	L26-M54 HydrophobicContact CD1-SD 4.43Å; L26-M54 HydrophobicContact CD2-CE 4.01Å; V51-M54 HydrophobicContact CG2-CE 4.01Å; M54-T72 PolarHBondContact N-OG1 2.89Å; M54-T72 WeakPolarHBondContact O-CA 3.24Å; M54-T72 PolarHBondContact O-N 3.43Å; M54-Y92 HydrophobicContact CB-CD1 3.39Å; M54-Y92 HydrophobicContact CB-CD2 4.18Å; M54-Y92 HydrophobicContact CB-CE1 3.77Å; M54-Y92 HydrophobicContact CB-CG 3.61Å; M54-Y92 HydrophobicContact CE-CD2 3.45Å; M54-Y92 VanDerWaalsContact CE-CD2 3.45Å; M54-Y92 HydrophobicContact CE-CE2 3.93Å; M54-Y92 HydrophobicContact CE-CG 3.91Å; M54-Y92 HydrophobicContact CG-CD1 4.13Å; M54-Y92 HydrophobicContact CG-CD2 4.38Å; M54-Y92 HydrophobicContact CG-CG 3.87Å; M54-C109 HydrophobicContact CG-CB 4.26Å; M54-C109 HydrophobicContact SD-CB 3.67Å; M54-H110 VanDerWaalsContact SD-C 3.6Å; M54-H110 VanDerWaalsContact SD-O 3.33Å; M54-Q111 HydrophobicContact CE-CB 4.41Å
55	H	97.8	Very high	95.9	Very high	22 Å²	22	53.7 Å²	53.7	10%	0.102	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.9	172.8	-58.1	-91.8	0	0	0	108.8	Y57 L67 I69 Y70 S71 C109 H110	H55-Y57 HydrophobicContact CB-CD2 4.5Å; H55-Y57 HydrophobicContact CB-CE2 3.76Å; H55-L67 HydrophobicContact CB-CD1 4.31Å; H55-I69 CarbonylContact C-O 3.57Å; H55-I69 VanDerWaalsContact CA-O 3.24Å; H55-I69 WeakPolarHBondContact CA-O 3.28Å; H55-Y70 VanDerWaalsContact ND1-CA 3.28Å; H55-Y70 WeakPolarHBondContact ND1-CA 3.41Å; H55-Y70 VanDerWaalsContact ND1-CB 3.3Å; H55-Y70 WeakPolarHBondContact ND1-CB 3.27Å; H55-S71 PolarHBondContact CE1-N 2.8Å; H55-C109 CarbonylContact O-C 3.54Å; H55-C109 VanDerWaalsContact O-CA 3.26Å; H55-C109 WeakPolarHBondContact O-CA 3.3Å; H55-H110 HydrophobicContact CB-CB 4.48Å; H55-H110 PolarHBondContact N-O 3.05Å; H55-H110 PolarHBondContact O-N 3.03Å
56	W	98.5	Very high	95.9	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.5	173.1	-70	93.8	0	0	0	109.8	L43 C45 L68 I69 L94 Y108 C109	L43-W56 HydrophobicContact CB-CH2 4.15Å; L43-W56 HydrophobicContact CB-CZ3 4.28Å; C45-W56 HydrophobicContact CB-CH2 3.71Å; C45-W56 HydrophobicContact CB-CZ2 3.74Å; W56-L68 HydrophobicContact CB-CB 4.44Å; W56-L68 HydrophobicContact CB-CD2 4.45Å; W56-L68 WeakPolarHBondContact O-CA 3.26Å; W56-L68 WeakPolarHBondContact O-CB 3.3Å; W56-L68 PolarHBondContact O-N 2.82Å; W56-I69 HydrophobicContact CB-CB 4.12Å; W56-I69 HydrophobicContact CB-CG1 4.48Å; W56-I69 PolarHBondContact N-O 2.72Å; W56-I69 PolarHBondContact O-N 2.85Å; W56-I69 VanDerWaalsContact O-N 3.15Å; W56-L94 HydrophobicContact CB-CD2 4.29Å; W56-L94 HydrophobicContact CD2-CB 3.57Å; W56-L94 HydrophobicContact CD2-CD2 3.91Å; W56-L94 HydrophobicContact CD2-CG 4.28Å; W56-L94 VanDerWaalsContact CE2-CB 3.48Å; W56-L94 HydrophobicContact CE3-CB 3.88Å; W56-L94 HydrophobicContact CE3-CD2 3.67Å; W56-L94 HydrophobicContact CE3-CG 4.41Å; W56-L94 HydrophobicContact CG-CB 4.05Å; W56-L94 HydrophobicContact CG-CD1 4.45Å; W56-L94 HydrophobicContact CG-CD2 4.19Å; W56-L94 HydrophobicContact CG-CG 4.48Å; W56-L94 HydrophobicContact CH2-CB 3.99Å; W56-L94 HydrophobicContact CZ2-CB 3.71Å; W56-L94 HydrophobicContact CZ3-CB 4.07Å; W56-L94 HydrophobicContact CZ3-CD2 4.23Å; W56-Y108 CarbonylContact C-O 3.57Å; W56-Y108 WeakPolarHBondContact CA-O 3.4Å; W56-C109 HydrophobicContact CD2-CB 4.16Å; W56-C109 HydrophobicContact CE3-CB 4Å; W56-C109 HydrophobicContact CH2-CB 4.01Å; W56-C109 HydrophobicContact CZ2-CB 4.14Å; W56-C109 HydrophobicContact CZ3-CB 3.93Å
57	Y	98.5	Very high	96	Very high	69 Å²	69	62 Å²	62	27%	0.271	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.1	177.6	-66.3	-100.1	0	0	0	109.5	H55 P65 K66 L67 Y107 Y108 H110	H55-Y57 HydrophobicContact CB-CD2 4.5Å; H55-Y57 HydrophobicContact CB-CE2 3.76Å; Y57-P65 HydrophobicContact CD1-CB 4.39Å; Y57-K66 CarbonylContact C-O 3.5Å; Y57-K66 WeakPolarHBondContact CA-O 3.13Å; Y57-L67 HydrophobicContact CD1-CB 4.34Å; Y57-L67 HydrophobicContact CD1-CD1 4.45Å; Y57-L67 HydrophobicContact CE1-CB 4.04Å; Y57-L67 HydrophobicContact CE1-CD1 3.9Å; Y57-L67 HydrophobicContact CE2-CD1 4.14Å; Y57-Y107 VanDerWaalsContact O-CA 3.3Å; Y57-Y107 WeakPolarHBondContact O-CA 3.44Å; Y57-Y108 PolarHBondContact N-O 2.83Å; Y57-Y108 PolarHBondContact O-N 2.82Å; Y57-H110 HydrophobicContact CD2-CB 4.32Å; Y57-H110 HydrophobicContact CE2-CB 3.9Å
58	Q	98.3	Very high	96.1	Very high	28 Å²	28	61.8 Å²	61.8	13%	0.131	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.7	172.4	-174.9	-170.5	62.4	0	0	108.9	K66 L68 A105 D106 Y107	Q58-K66 PolarHBondContact N-O 3.01Å; Q58-K66 PolarHBondContact O-N 2.74Å; Q58-L68 HydrophobicContact CB-CD1 4.41Å; Q58-A105 HydrophobicContact CG-CB 3.42Å; Q58-A105 VanDerWaalsContact CG-CB 3.42Å; Q58-D106 CarbonylContact C-O 3.57Å; Q58-Y107 HydrophobicContact CB-CD1 4.23Å; Q58-Y107 HydrophobicContact CB-CE1 3.99Å; Q58-Y107 HydrophobicContact CG-CD1 4.32Å; Q58-Y107 HydrophobicContact CG-CE1 3.76Å; Q58-Y107 PolarHBondContact NE2-OH 2.84Å
59	Q	98.3	Very high	96.3	Very high	50 Å²	50	58.1 Å²	58.1	23%	0.234	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.9	175.3	-172.9	176.2	7.3	0	0	110.1	T63 P65 A105 D106 Y108	Q59-T63 VanDerWaalsContact CG-O 3.29Å; Q59-T63 WeakPolarHBondContact CG-O 3.34Å; Q59-T63 PolarHBondContact NE2-O 3.48Å; Q59-P65 HydrophobicContact CB-CB 4.34Å; Q59-P65 HydrophobicContact CB-CG 4.2Å; Q59-P65 HydrophobicContact CG-CG 4.16Å; Q59-A105 WeakPolarHBondContact O-CA 3.38Å; Q59-A105 WeakPolarHBondContact O-CB 3.38Å; Q59-D106 HydrophobicContact CB-CB 4.42Å; Q59-D106 PolarHBondContact N-O 3.15Å; Q59-D106 PolarHBondContact O-N 3.35Å; Q59-Y108 HydrophobicContact CB-CD2 4.47Å; Q59-Y108 HydrophobicContact CB-CE2 3.88Å; Q59-Y108 VanDerWaalsContact OE1-CE2 3.29Å
60	K	96.3	Very high	96.5	Very high	81 Å²	81	60.2 Å²	60.2	35%	0.352	34%	0.344	S	S	.	.			trans	-78.7	150.6	171	-61.2	-173.5	179.3	-166.7	0	109.4	G62 T63 E102 A105	K60-G62 PolarHBondContact O-N 2.81Å; K60-T63 HydrophobicContact CB-CG2 4.25Å; K60-T63 PolarHBondContact N-OG1 3.17Å; K60-T63 WeakPolarHBondContact O-CB 3.27Å; K60-T63 PolarHBondContact O-N 2.9Å; K60-T63 PolarHBondContact O-OG1 2.78Å; K60-E102 WeakPolarHBondContact CE-O 3.26Å; K60-E102 PolarHBondContact NZ-O 3.45Å; K60-A105 HydrophobicContact CG-CB 4.18Å
61	S	94.2	Very high	96.6	Very high	112 Å²	112	58.1 Å²	58.1	78%	0.783	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	128.3	-178.8	-52.1	0	0	0	0	111.9	T63	S61-T63 PolarHBondContact O-N 2.95Å
62	G	95.3	Very high	96.7	Very high	91 Å²	91	58.8 Å²	58.8	94%	0.938	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	5.4	-179.9	0	0	0	0	0	115.7	K60	K60-G62 PolarHBondContact O-N 2.81Å
63	T	96.6	Very high	97.1	Very high	60 Å²	60	58 Å²	58	37%	0.368	33%	0.328	S	S	.	.	S	Bend	trans	-110.8	164.6	177.4	71.4	0	0	0	0	111.7	Q59 K60 S61	Q59-T63 VanDerWaalsContact CG-O 3.29Å; Q59-T63 WeakPolarHBondContact CG-O 3.34Å; Q59-T63 PolarHBondContact NE2-O 3.48Å; K60-T63 HydrophobicContact CB-CG2 4.25Å; K60-T63 PolarHBondContact N-OG1 3.17Å; K60-T63 WeakPolarHBondContact O-CB 3.27Å; K60-T63 PolarHBondContact O-N 2.9Å; K60-T63 PolarHBondContact O-OG1 2.78Å; S61-T63 PolarHBondContact O-N 2.95Å
64	S	97.1	Very high	97.4	Very high	82 Å²	82	55.5 Å²	55.5	57%	0.573	32%	0.323	S	S	*	.			trans	-75.3	148.4	169.3	59.5	0	0	0	0	111	K66	S64-K66 PolarHBondContact O-N 3Å
65	P	97.8	Very high	97.5	Very high	63 Å²	63	58.4 Å²	58.4	41%	0.409	34%	0.338	S	S	.	.			trans	-53.7	136.5	170.5	-23.5	32.3	0	0	0	111.9	Y57 Q59	Y57-P65 HydrophobicContact CD1-CB 4.39Å; Q59-P65 HydrophobicContact CB-CB 4.34Å; Q59-P65 HydrophobicContact CB-CG 4.2Å; Q59-P65 HydrophobicContact CG-CG 4.16Å
66	K	98.1	Very high	97.5	Very high	140 Å²	140	58.1 Å²	58.1	61%	0.609	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.8	175.1	-67.6	-176.3	179.2	-179.4	0	109.9	Y57 Q58 S64 L68	Y57-K66 CarbonylContact C-O 3.5Å; Y57-K66 WeakPolarHBondContact CA-O 3.13Å; Q58-K66 PolarHBondContact N-O 3.01Å; Q58-K66 PolarHBondContact O-N 2.74Å; S64-K66 PolarHBondContact O-N 3Å; K66-L68 PolarHBondContact O-N 2.81Å
67	L	98.3	Very high	97.5	Very high	68 Å²	68	64.3 Å²	64.3	36%	0.356	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	126.8	176.2	-176.6	67.2	0	0	0	109.7	H55 Y57 I69 Y70 A76	H55-L67 HydrophobicContact CB-CD1 4.31Å; Y57-L67 HydrophobicContact CD1-CB 4.34Å; Y57-L67 HydrophobicContact CD1-CD1 4.45Å; Y57-L67 HydrophobicContact CE1-CB 4.04Å; Y57-L67 HydrophobicContact CE1-CD1 3.9Å; Y57-L67 HydrophobicContact CE2-CD1 4.14Å; L67-I69 WeakPolarHBondContact CD1-O 3.3Å; L67-Y70 HydrophobicContact CD2-CD1 4.38Å; L67-A76 HydrophobicContact CB-CB 4.4Å; L67-A76 HydrophobicContact CD2-CB 4.25Å; L67-A76 HydrophobicContact CG-CB 4.08Å; L67-A76 VanDerWaalsContact O-CB 3.3Å; L67-A76 WeakPolarHBondContact O-CB 3.47Å
68	L	98.5	Very high	97.5	Very high	5 Å²	5	65 Å²	65	3%	0.026	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-54.1	179.4	-173.9	74.7	0	0	0	110.3	W56 Q58 K66 A76 V79 F83 L94 Y107	W56-L68 HydrophobicContact CB-CB 4.44Å; W56-L68 HydrophobicContact CB-CD2 4.45Å; W56-L68 WeakPolarHBondContact O-CA 3.26Å; W56-L68 WeakPolarHBondContact O-CB 3.3Å; W56-L68 PolarHBondContact O-N 2.82Å; Q58-L68 HydrophobicContact CB-CD1 4.41Å; K66-L68 PolarHBondContact O-N 2.81Å; L68-A76 PolarHBondContact O-N 3.27Å; L68-V79 HydrophobicContact CD1-CB 4.46Å; L68-V79 HydrophobicContact CD1-CG1 3.53Å; L68-V79 HydrophobicContact CD1-CG2 4.02Å; L68-V79 HydrophobicContact CG-CG1 4.22Å; L68-F83 HydrophobicContact CD1-CD1 3.97Å; L68-F83 HydrophobicContact CD1-CD2 4.37Å; L68-F83 HydrophobicContact CD1-CE1 4.06Å; L68-F83 HydrophobicContact CD1-CE2 4.49Å; L68-F83 HydrophobicContact CD1-CG 4.12Å; L68-F83 HydrophobicContact CD1-CZ 4.32Å; L68-F83 HydrophobicContact CD2-CD1 3.73Å; L68-F83 HydrophobicContact CD2-CE1 4.03Å; L68-F83 HydrophobicContact CD2-CG 4.46Å; L68-F83 HydrophobicContact CG-CD1 4.21Å; L68-L94 HydrophobicContact CD2-CD1 3.8Å; L68-L94 HydrophobicContact CD2-CD2 3.77Å; L68-L94 HydrophobicContact CD2-CG 4.47Å; L68-Y107 HydrophobicContact CD2-CD1 4.04Å; L68-Y107 HydrophobicContact CD2-CE1 3.86Å
69	I	98.7	Very high	97.5	Very high	0 Å²	0	65 Å²	65	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.4	179.3	-54.5	-168.3	0	0	0	108.9	H55 W56 L67 T72 N74 L75 L94	H55-I69 CarbonylContact C-O 3.57Å; H55-I69 VanDerWaalsContact CA-O 3.24Å; H55-I69 WeakPolarHBondContact CA-O 3.28Å; W56-I69 HydrophobicContact CB-CB 4.12Å; W56-I69 HydrophobicContact CB-CG1 4.48Å; W56-I69 PolarHBondContact N-O 2.72Å; W56-I69 PolarHBondContact O-N 2.85Å; W56-I69 VanDerWaalsContact O-N 3.15Å; L67-I69 WeakPolarHBondContact CD1-O 3.3Å; I69-T72 WeakPolarHBondContact CG2-O 3.32Å; I69-N74 CarbonylContact C-O 3.59Å; I69-N74 VanDerWaalsContact CA-O 3.27Å; I69-N74 WeakPolarHBondContact CA-O 3.48Å; I69-N74 WeakPolarHBondContact CG2-O 3.23Å; I69-L75 HydrophobicContact CD1-CD2 4.2Å; I69-L75 HydrophobicContact CG1-CD2 4.04Å; I69-L94 HydrophobicContact CD1-CD1 3.49Å; I69-L94 VanDerWaalsContact CD1-CD1 3.49Å; I69-L94 HydrophobicContact CG1-CD1 4.26Å
70	Y	97.5	Very high	97.5	Very high	96 Å²	96	65 Å²	65	38%	0.376	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	158.8	173.3	69.7	-83.3	0	0	0	111.8	H55 L67 T72 S73 N74 L75	H55-Y70 VanDerWaalsContact ND1-CA 3.28Å; H55-Y70 WeakPolarHBondContact ND1-CA 3.41Å; H55-Y70 VanDerWaalsContact ND1-CB 3.3Å; H55-Y70 WeakPolarHBondContact ND1-CB 3.27Å; L67-Y70 HydrophobicContact CD2-CD1 4.38Å; Y70-T72 PolarHBondContact O-N 2.84Å; Y70-S73 PolarHBondContact O-N 2.68Å; Y70-N74 HydrophobicContact CD1-CB 3.89Å; Y70-N74 VanDerWaalsContact CD1-O 3.26Å; Y70-N74 WeakPolarHBondContact CD1-O 3.47Å; Y70-N74 HydrophobicContact CD2-CB 3.99Å; Y70-N74 HydrophobicContact CE1-CB 3.52Å; Y70-N74 HydrophobicContact CE2-CB 3.64Å; Y70-N74 HydrophobicContact CG-CB 4.11Å; Y70-N74 PolarHBondContact N-O 3.31Å; Y70-N74 WeakPolarHBondContact O-CB 3.22Å; Y70-N74 PolarHBondContact O-N 2.94Å; Y70-L75 WeakPolarHBondContact CE1-O 3.38Å
71	S	96.2	Very high	97.6	Very high	40 Å²	40	66.6 Å²	66.6	28%	0.28	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	43.8	180	-60.5	0	0	0	0	112.2	H55 S73	H55-S71 PolarHBondContact CE1-N 2.8Å; S71-S73 PolarHBondContact O-N 3.19Å
72	T	97	Very high	97.8	Very high	18 Å²	18	62.5 Å²	62.5	11%	0.11	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-42	177.8	-55.2	0	0	0	0	115.7	M54 I69 Y70 G85 G87 Y92	M54-T72 PolarHBondContact N-OG1 2.89Å; M54-T72 WeakPolarHBondContact O-CA 3.24Å; M54-T72 PolarHBondContact O-N 3.43Å; I69-T72 WeakPolarHBondContact CG2-O 3.32Å; Y70-T72 PolarHBondContact O-N 2.84Å; T72-G85 CarbonylContact O-C 3.51Å; T72-G85 VanDerWaalsContact O-CA 3.23Å; T72-G85 WeakPolarHBondContact O-CA 3.46Å; T72-G87 WeakPolarHBondContact CG2-O 3.3Å; T72-Y92 HydrophobicContact CG2-CD1 3.86Å; T72-Y92 HydrophobicContact CG2-CE1 3.88Å
73	S	97.9	Very high	98	Very high	69 Å²	69	58.4 Å²	58.4	48%	0.483	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-5.7	-171.2	58.4	0	0	0	0	115.7	Y70 S71 G85	Y70-S73 PolarHBondContact O-N 2.68Å; S71-S73 PolarHBondContact O-N 3.19Å; S73-G85 VanDerWaalsContact CB-O 3.28Å; S73-G85 WeakPolarHBondContact CB-O 3.39Å
74	N	98.4	Very high	98.1	Very high	71 Å²	71	58.1 Å²	58.1	38%	0.38	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.3	-178.5	-62.4	-35.6	0	0	0	111.1	I69 Y70	I69-N74 CarbonylContact C-O 3.59Å; I69-N74 VanDerWaalsContact CA-O 3.27Å; I69-N74 WeakPolarHBondContact CA-O 3.48Å; I69-N74 WeakPolarHBondContact CG2-O 3.23Å; Y70-N74 HydrophobicContact CD1-CB 3.89Å; Y70-N74 VanDerWaalsContact CD1-O 3.26Å; Y70-N74 WeakPolarHBondContact CD1-O 3.47Å; Y70-N74 HydrophobicContact CD2-CB 3.99Å; Y70-N74 HydrophobicContact CE1-CB 3.52Å; Y70-N74 HydrophobicContact CE2-CB 3.64Å; Y70-N74 HydrophobicContact CG-CB 4.11Å; Y70-N74 PolarHBondContact N-O 3.31Å; Y70-N74 WeakPolarHBondContact O-CB 3.22Å; Y70-N74 PolarHBondContact O-N 2.94Å
75	L	98.7	Very high	98.1	Very high	60 Å²	60	54.7 Å²	54.7	31%	0.314	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.3	175.8	-66.6	168.8	0	0	0	111.1	I69 Y70 V79 F83	I69-L75 HydrophobicContact CD1-CD2 4.2Å; I69-L75 HydrophobicContact CG1-CD2 4.04Å; Y70-L75 WeakPolarHBondContact CE1-O 3.38Å; L75-V79 HydrophobicContact CB-CB 4.33Å; L75-V79 HydrophobicContact CD2-CB 4.25Å; L75-V79 HydrophobicContact CD2-CG1 3.63Å; L75-F83 HydrophobicContact CD2-CB 3.78Å; L75-F83 WeakPolarHBondContact CD2-O 3.49Å
76	A	98.5	Very high	98.1	Very high	16 Å²	16	54.7 Å²	54.7	13%	0.132	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.5	158.3	168.9	0	0	0	0	0	110.9	L67 L68 G78 V79	L67-A76 HydrophobicContact CB-CB 4.4Å; L67-A76 HydrophobicContact CD2-CB 4.25Å; L67-A76 HydrophobicContact CG-CB 4.08Å; L67-A76 VanDerWaalsContact O-CB 3.3Å; L67-A76 WeakPolarHBondContact O-CB 3.47Å; L68-A76 PolarHBondContact O-N 3.27Å; A76-G78 PolarHBondContact O-N 2.79Å; A76-V79 HydrophobicContact CB-CG2 3.92Å; A76-V79 WeakPolarHBondContact O-CB 3.37Å; A76-V79 WeakPolarHBondContact O-CG2 3.32Å; A76-V79 PolarHBondContact O-N 3.48Å; A76-V79 VanDerWaalsContact O-N 3.11Å
77	S	98.3	Very high	98.1	Very high	132 Å²	132	49.8 Å²	49.8	92%	0.923	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	130.8	-178	-55	0	0	0	0	111.9	V79	S77-V79 VanDerWaalsContact C-N 3.29Å; S77-V79 PolarHBondContact O-N 2.89Å
78	G	97.8	Very high	98	Very high	83 Å²	83	50.9 Å²	50.9	86%	0.856	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-0.6	-179.6	0	0	0	0	0	114.9	A76	A76-G78 PolarHBondContact O-N 2.79Å
79	V	98.3	Very high	97.9	Very high	28 Å²	28	51.8 Å²	51.8	17%	0.17	36%	0.355	C	S	.	.			trans	-77.5	128.5	174	179.8	0	0	0	0	109.8	L68 L75 A76 S77 F83	L68-V79 HydrophobicContact CD1-CB 4.46Å; L68-V79 HydrophobicContact CD1-CG1 3.53Å; L68-V79 HydrophobicContact CD1-CG2 4.02Å; L68-V79 HydrophobicContact CG-CG1 4.22Å; L75-V79 HydrophobicContact CB-CB 4.33Å; L75-V79 HydrophobicContact CD2-CB 4.25Å; L75-V79 HydrophobicContact CD2-CG1 3.63Å; A76-V79 HydrophobicContact CB-CG2 3.92Å; A76-V79 WeakPolarHBondContact O-CB 3.37Å; A76-V79 WeakPolarHBondContact O-CG2 3.32Å; A76-V79 PolarHBondContact O-N 3.48Å; A76-V79 VanDerWaalsContact O-N 3.11Å; S77-V79 VanDerWaalsContact C-N 3.29Å; S77-V79 PolarHBondContact O-N 2.89Å; V79-F83 HydrophobicContact CG1-CB 3.95Å; V79-F83 HydrophobicContact CG1-CD2 3.71Å; V79-F83 HydrophobicContact CG1-CE2 4.48Å; V79-F83 HydrophobicContact CG1-CG 3.98Å
80	P	98.4	Very high	97.8	Very high	49 Å²	49	54 Å²	54	32%	0.318	37%	0.368	S	S	.	.			trans	-59.6	148.8	177.8	-28	37.4	0	0	0	113.7	R82 F83	P80-R82 HydrophobicContact CB-CG 3.75Å; P80-R82 PolarHBondContact O-N 2.84Å; P80-R82 VanDerWaalsContact O-N 3.12Å; P80-F83 HydrophobicContact CB-CD2 4.14Å; P80-F83 HydrophobicContact CB-CE2 4.32Å; P80-F83 HydrophobicContact CG-CD2 4.4Å; P80-F83 HydrophobicContact CG-CE2 4.2Å; P80-F83 WeakPolarHBondContact O-CD2 3.37Å; P80-F83 PolarHBondContact O-N 2.89Å; P80-F83 VanDerWaalsContact O-N 3.16Å
81	S	98.3	Very high	97.9	Very high	115 Å²	115	55.9 Å²	55.9	80%	0.804	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.9	178.9	59.6	0	0	0	0	114.6	F83	S81-F83 PolarHBondContact O-N 3.2Å
82	R	98.4	Very high	98	Very high	26 Å²	26	54.4 Å²	54.4	10%	0.098	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	171.4	58	164.8	-175.9	-86.6	5.5	112.7	P80 I96 S97 S98 E100 E102 D103	P80-R82 HydrophobicContact CB-CG 3.75Å; P80-R82 PolarHBondContact O-N 2.84Å; P80-R82 VanDerWaalsContact O-N 3.12Å; R82-I96 CarbonylContact O-C 3.58Å; R82-I96 WeakPolarHBondContact O-CA 3.39Å; R82-S97 WeakPolarHBondContact CA-OG 3.17Å; R82-S97 PolarHBondContact O-N 2.8Å; R82-S97 PolarHBondContact O-OG 2.88Å; R82-S98 WeakPolarHBondContact CD-O 3.15Å; R82-E100 IonicContact CZ-OE1 3.75Å; R82-E100 IonicContact CZ-OE2 3.87Å; R82-E100 IonicContact NH1-OE1 3.17Å; R82-E100 PolarHBondContact NH1-OE1 2.86Å; R82-E100 IonicContact NH1-OE2 3.58Å; R82-E100 PolarHBondContact NH1-OE2 3.28Å; R82-E100 IonicContact NH2-OE2 3.44Å; R82-E100 PolarHBondContact NH2-OE2 2.81Å; R82-E102 IonicContact CZ-OE1 2.84Å; R82-E102 IonicContact NH1-OE1 3.27Å; R82-E102 IonicContact NH2-OE1 3.66Å; R82-E102 PolarHBondContact NH2-OE1 2.96Å; R82-D103 IonicContact CZ-OD1 3.77Å; R82-D103 IonicContact CZ-OD2 2.85Å; R82-D103 IonicContact NE-OD1 2.73Å; R82-D103 PolarHBondContact NE-OD1 2.82Å; R82-D103 IonicContact NE-OD2 3.62Å; R82-D103 PolarHBondContact NE-OD2 2.95Å; R82-D103 IonicContact NH2-OD1 3.06Å; R82-D103 PolarHBondContact NH2-OD1 3.29Å; R82-D103 IonicContact NH2-OD2 2.94Å
83	F	98.8	Very high	98	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.6	173.5	-65.5	-88.4	0	0	0	110.3	L68 L75 V79 P80 S81 L94 T95 I96 D103 Y107	L68-F83 HydrophobicContact CD1-CD1 3.97Å; L68-F83 HydrophobicContact CD1-CD2 4.37Å; L68-F83 HydrophobicContact CD1-CE1 4.06Å; L68-F83 HydrophobicContact CD1-CE2 4.49Å; L68-F83 HydrophobicContact CD1-CG 4.12Å; L68-F83 HydrophobicContact CD1-CZ 4.32Å; L68-F83 HydrophobicContact CD2-CD1 3.73Å; L68-F83 HydrophobicContact CD2-CE1 4.03Å; L68-F83 HydrophobicContact CD2-CG 4.46Å; L68-F83 HydrophobicContact CG-CD1 4.21Å; L75-F83 HydrophobicContact CD2-CB 3.78Å; L75-F83 WeakPolarHBondContact CD2-O 3.49Å; V79-F83 HydrophobicContact CG1-CB 3.95Å; V79-F83 HydrophobicContact CG1-CD2 3.71Å; V79-F83 HydrophobicContact CG1-CE2 4.48Å; V79-F83 HydrophobicContact CG1-CG 3.98Å; P80-F83 HydrophobicContact CB-CD2 4.14Å; P80-F83 HydrophobicContact CB-CE2 4.32Å; P80-F83 HydrophobicContact CG-CD2 4.4Å; P80-F83 HydrophobicContact CG-CE2 4.2Å; P80-F83 WeakPolarHBondContact O-CD2 3.37Å; P80-F83 PolarHBondContact O-N 2.89Å; P80-F83 VanDerWaalsContact O-N 3.16Å; S81-F83 PolarHBondContact O-N 3.2Å; F83-L94 HydrophobicContact CD1-CD1 4.36Å; F83-T95 CarbonylContact C-O 3.5Å; F83-T95 WeakPolarHBondContact CA-O 3.47Å; F83-I96 HydrophobicContact CD1-CD1 4.04Å; F83-I96 HydrophobicContact CD1-CG1 3.72Å; F83-I96 HydrophobicContact CD1-CG2 4.48Å; F83-I96 HydrophobicContact CE1-CD1 3.45Å; F83-I96 VanDerWaalsContact CE1-CD1 3.45Å; F83-I96 HydrophobicContact CE1-CG1 3.66Å; F83-I96 HydrophobicContact CE1-CG2 4.26Å; F83-I96 HydrophobicContact CZ-CD1 4.27Å; F83-I96 HydrophobicContact CZ-CG2 4.49Å; F83-D103 VanDerWaalsContact CZ-OD1 3.3Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.19Å; F83-Y107 HydrophobicContact CE1-CE1 4.16Å
84	S	98.7	Very high	98.1	Very high	54 Å²	54	51.2 Å²	51.2	38%	0.378	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.5	172.2	61.4	0	0	0	0	111.1	L94 T95	S84-L94 CarbonylContact O-C 3.55Å; S84-L94 WeakPolarHBondContact O-CA 3.49Å; S84-T95 PolarHBondContact N-O 3.26Å; S84-T95 PolarHBondContact O-N 3.05Å
85	G	98.4	Very high	98.1	Very high	10 Å²	10	48.8 Å²	48.8	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142	178	0	0	0	0	0	109.7	T72 S73 S93	T72-G85 CarbonylContact O-C 3.51Å; T72-G85 VanDerWaalsContact O-CA 3.23Å; T72-G85 WeakPolarHBondContact O-CA 3.46Å; S73-G85 VanDerWaalsContact CB-O 3.28Å; S73-G85 WeakPolarHBondContact CB-O 3.39Å; G85-S93 WeakPolarHBondContact CA-O 3.45Å
86	S	98.1	Very high	98.1	Very high	62 Å²	62	46 Å²	46	43%	0.434	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.4	177.7	79.5	0	0	0	0	111.2	Y92 S93	S86-Y92 CarbonylContact O-C 3.52Å; S86-Y92 VanDerWaalsContact O-CA 3.32Å; S86-Y92 WeakPolarHBondContact O-CA 3.26Å; S86-S93 PolarHBondContact N-O 2.91Å; S86-S93 PolarHBondContact O-N 3.19Å; S86-S93 PolarHBondContact OG-OG 3.34Å
87	G	97.4	Very high	98.1	Very high	37 Å²	37	48 Å²	48	38%	0.381	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.1	173.6	175.4	0	0	0	0	0	113.9	T72 F91	T72-G87 WeakPolarHBondContact CG2-O 3.3Å; G87-F91 CarbonylContact C-O 3.49Å; G87-F91 WeakPolarHBondContact CA-O 3.35Å
88	S	96.9	Very high	98.1	Very high	92 Å²	92	43.8 Å²	43.8	64%	0.643	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-165.8	164.7	176.1	60.2	0	0	0	0	109.6	T90 F91	S88-T90 PolarHBondContact O-N 3.05Å; S88-F91 PolarHBondContact N-O 2.93Å; S88-F91 PolarHBondContact O-N 2.93Å
89	G	95.9	Very high	98.2	Very high	24 Å²	24	40.6 Å²	40.6	25%	0.247	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	63.9	-112.2	178.1	0	0	0	0	0	111.1	S50 V51 Y92	S50-G89 WeakPolarHBondContact CA-O 3.32Å; S50-G89 WeakPolarHBondContact OG-CA 3.36Å; V51-G89 PolarHBondContact N-O 2.96Å; G89-Y92 PolarHBondContact N-OH 3.21Å; G89-Y92 VanDerWaalsContact O-CE2 3.3Å; G89-Y92 WeakPolarHBondContact O-CE2 3.36Å; G89-Y92 PolarHBondContact O-OH 3.43Å
90	T	97	Very high	98.2	Very high	45 Å²	45	42.7 Å²	42.7	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-4.5	-177	53.9	0	0	0	0	113.9	S46 A47 S88	S46-T90 CarbonylContact C-O 3.52Å; S46-T90 VanDerWaalsContact CA-O 3.26Å; S46-T90 WeakPolarHBondContact CA-O 3.46Å; A47-T90 PolarHBondContact N-O 2.82Å; A47-T90 WeakPolarHBondContact O-CB 3.37Å; S88-T90 PolarHBondContact O-N 3.05Å
91	F	98.2	Very high	98.1	Very high	137 Å²	137	44.1 Å²	44.1	60%	0.601	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	124.9	-172.5	-68	-79.3	0	0	0	111.8	S46 G87 S88	S46-F91 WeakPolarHBondContact OG-CD1 3.15Å; S46-F91 WeakPolarHBondContact OG-CE1 3.28Å; G87-F91 CarbonylContact C-O 3.49Å; G87-F91 WeakPolarHBondContact CA-O 3.35Å; S88-F91 PolarHBondContact N-O 2.93Å; S88-F91 PolarHBondContact O-N 2.93Å
92	Y	98.3	Very high	98	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.1	-178.6	-62.8	-89.9	0	0	0	111	T44 C45 V51 M54 T72 S86 G89	T44-Y92 CarbonylContact C-O 3.58Å; T44-Y92 WeakPolarHBondContact CA-O 3.3Å; C45-Y92 PolarHBondContact N-O 2.84Å; C45-Y92 PolarHBondContact O-N 3Å; V51-Y92 HydrophobicContact CG2-CD2 4.32Å; V51-Y92 HydrophobicContact CG2-CE2 3.35Å; V51-Y92 WeakPolarHBondContact CG2-OH 2.96Å; V51-Y92 PolarHBondContact O-OH 2.85Å; M54-Y92 HydrophobicContact CB-CD1 3.39Å; M54-Y92 HydrophobicContact CB-CD2 4.18Å; M54-Y92 HydrophobicContact CB-CE1 3.77Å; M54-Y92 HydrophobicContact CB-CG 3.61Å; M54-Y92 HydrophobicContact CE-CD2 3.45Å; M54-Y92 VanDerWaalsContact CE-CD2 3.45Å; M54-Y92 HydrophobicContact CE-CE2 3.93Å; M54-Y92 HydrophobicContact CE-CG 3.91Å; M54-Y92 HydrophobicContact CG-CD1 4.13Å; M54-Y92 HydrophobicContact CG-CD2 4.38Å; M54-Y92 HydrophobicContact CG-CG 3.87Å; T72-Y92 HydrophobicContact CG2-CD1 3.86Å; T72-Y92 HydrophobicContact CG2-CE1 3.88Å; S86-Y92 CarbonylContact O-C 3.52Å; S86-Y92 VanDerWaalsContact O-CA 3.32Å; S86-Y92 WeakPolarHBondContact O-CA 3.26Å; G89-Y92 PolarHBondContact N-OH 3.21Å; G89-Y92 VanDerWaalsContact O-CE2 3.3Å; G89-Y92 WeakPolarHBondContact O-CE2 3.36Å; G89-Y92 PolarHBondContact O-OH 3.43Å
93	S	98.5	Very high	98	Very high	19 Å²	19	42 Å²	42	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.1	175.3	63.2	0	0	0	0	112.1	L43 G85 S86	L43-S93 CarbonylContact O-C 3.57Å; L43-S93 WeakPolarHBondContact O-CA 3.5Å; L43-S93 WeakPolarHBondContact O-CB 3.29Å; G85-S93 WeakPolarHBondContact CA-O 3.45Å; S86-S93 PolarHBondContact N-O 2.91Å; S86-S93 PolarHBondContact O-N 3.19Å; S86-S93 PolarHBondContact OG-OG 3.34Å
94	L	98.7	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.5	168.2	166.8	66.6	0	0	0	107	T42 L43 W56 L68 I69 F83 S84 Y107	T42-L94 CarbonylContact C-O 3.17Å; T42-L94 WeakPolarHBondContact CA-O 3.47Å; L43-L94 HydrophobicContact CB-CB 4.37Å; L43-L94 HydrophobicContact CD1-CD2 4.24Å; L43-L94 PolarHBondContact N-O 2.03Å; L43-L94 PolarHBondContact O-N 2.94Å; W56-L94 HydrophobicContact CB-CD2 4.29Å; W56-L94 HydrophobicContact CD2-CB 3.57Å; W56-L94 HydrophobicContact CD2-CD2 3.91Å; W56-L94 HydrophobicContact CD2-CG 4.28Å; W56-L94 VanDerWaalsContact CE2-CB 3.48Å; W56-L94 HydrophobicContact CE3-CB 3.88Å; W56-L94 HydrophobicContact CE3-CD2 3.67Å; W56-L94 HydrophobicContact CE3-CG 4.41Å; W56-L94 HydrophobicContact CG-CB 4.05Å; W56-L94 HydrophobicContact CG-CD1 4.45Å; W56-L94 HydrophobicContact CG-CD2 4.19Å; W56-L94 HydrophobicContact CG-CG 4.48Å; W56-L94 HydrophobicContact CH2-CB 3.99Å; W56-L94 HydrophobicContact CZ2-CB 3.71Å; W56-L94 HydrophobicContact CZ3-CB 4.07Å; W56-L94 HydrophobicContact CZ3-CD2 4.23Å; L68-L94 HydrophobicContact CD2-CD1 3.8Å; L68-L94 HydrophobicContact CD2-CD2 3.77Å; L68-L94 HydrophobicContact CD2-CG 4.47Å; I69-L94 HydrophobicContact CD1-CD1 3.49Å; I69-L94 VanDerWaalsContact CD1-CD1 3.49Å; I69-L94 HydrophobicContact CG1-CD1 4.26Å; F83-L94 HydrophobicContact CD1-CD1 4.36Å; S84-L94 CarbonylContact O-C 3.55Å; S84-L94 WeakPolarHBondContact O-CA 3.49Å; L94-Y107 HydrophobicContact CD2-CD1 3.55Å; L94-Y107 HydrophobicContact CD2-CE1 4.12Å; L94-Y107 HydrophobicContact CD2-CG 4.21Å
95	T	98.7	Very high	97.9	Very high	21 Å²	21	44.2 Å²	44.2	13%	0.129	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.7	177.9	-60.6	0	0	0	0	109.7	E40 I41 T42 F83 S84	E40-T95 HydrophobicContact CG-CG2 3.88Å; I41-T95 CarbonylContact O-C 3.54Å; I41-T95 VanDerWaalsContact O-CA 3.3Å; I41-T95 WeakPolarHBondContact O-CA 3.26Å; T42-T95 PolarHBondContact OG1-OG1 2.8Å; F83-T95 CarbonylContact C-O 3.5Å; F83-T95 WeakPolarHBondContact CA-O 3.47Å; S84-T95 PolarHBondContact N-O 3.26Å; S84-T95 PolarHBondContact O-N 3.05Å
96	I	98.7	Very high	97.9	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.8	168.8	-47.9	-177.3	0	0	0	105.8	E40 I41 R82 F83 S98 V99 Y107	E40-I96 VanDerWaalsContact CA-O 3.27Å; E40-I96 WeakPolarHBondContact CA-O 3.02Å; I41-I96 HydrophobicContact CD1-CB 4.45Å; I41-I96 HydrophobicContact CD1-CD1 3.92Å; I41-I96 HydrophobicContact CD1-CG1 4.38Å; I41-I96 HydrophobicContact CG1-CB 3.85Å; I41-I96 HydrophobicContact CG1-CD1 4.23Å; I41-I96 HydrophobicContact CG1-CG1 4.13Å; I41-I96 PolarHBondContact N-O 2.8Å; I41-I96 PolarHBondContact O-N 2.83Å; R82-I96 CarbonylContact O-C 3.58Å; R82-I96 WeakPolarHBondContact O-CA 3.39Å; F83-I96 HydrophobicContact CD1-CD1 4.04Å; F83-I96 HydrophobicContact CD1-CG1 3.72Å; F83-I96 HydrophobicContact CD1-CG2 4.48Å; F83-I96 HydrophobicContact CE1-CD1 3.45Å; F83-I96 VanDerWaalsContact CE1-CD1 3.45Å; F83-I96 HydrophobicContact CE1-CG1 3.66Å; F83-I96 HydrophobicContact CE1-CG2 4.26Å; F83-I96 HydrophobicContact CZ-CD1 4.27Å; F83-I96 HydrophobicContact CZ-CG2 4.49Å; I96-S98 VanDerWaalsContact C-N 3.26Å; I96-S98 PolarHBondContact O-N 2.94Å; I96-V99 HydrophobicContact CB-CG2 4.35Å; I96-V99 HydrophobicContact CG2-CG2 4.14Å; I96-Y107 HydrophobicContact CD1-CE1 4.36Å
97	S	98.6	Very high	97.9	Very high	57 Å²	57	46.1 Å²	46.1	40%	0.399	29%	0.292	S	S	.	.	S	Bend	trans	-72.6	-18.3	-170.9	69	0	0	0	0	114.2	R82	R82-S97 WeakPolarHBondContact CA-OG 3.17Å; R82-S97 PolarHBondContact O-N 2.8Å; R82-S97 PolarHBondContact O-OG 2.88Å
98	S	98.5	Very high	97.9	Very high	43 Å²	43	48.8 Å²	48.8	30%	0.301	29%	0.292	S	S	.	.	S	Bend	trans	-156.3	98.1	178.1	169.2	0	0	0	0	108.5	R82 I96	R82-S98 WeakPolarHBondContact CD-O 3.15Å; I96-S98 VanDerWaalsContact C-N 3.26Å; I96-S98 PolarHBondContact O-N 2.94Å
99	V	98.5	Very high	97.9	Very high	16 Å²	16	45 Å²	45	10%	0.097	27%	0.265	C	S	.	.			trans	-63	134.1	-178.5	168.9	0	0	0	0	111.7	A35 L37 G38 E39 I41 I96	A35-V99 HydrophobicContact CB-CB 4.48Å; A35-V99 HydrophobicContact CB-CG1 4.34Å; A35-V99 HydrophobicContact CB-CG2 4.08Å; L37-V99 WeakPolarHBondContact CA-O 3.02Å; G38-V99 PolarHBondContact N-O 3.2Å; E39-V99 WeakPolarHBondContact O-CG2 3.42Å; E39-V99 PolarHBondContact O-N 2.81Å; I41-V99 HydrophobicContact CD1-CG2 3.64Å; I41-V99 HydrophobicContact CG1-CG2 3.61Å; I41-V99 HydrophobicContact CG2-CG2 4.23Å; I96-V99 HydrophobicContact CB-CG2 4.35Å; I96-V99 HydrophobicContact CG2-CG2 4.14Å
100	E	98.4	Very high	97.9	Very high	73 Å²	73	47.9 Å²	47.9	34%	0.341	27%	0.272	S	S	.	.			trans	-116.8	164.4	172.6	-67.1	174.1	-158.4	0	0	111.3	R82 E102 D103	R82-E100 IonicContact CZ-OE1 3.75Å; R82-E100 IonicContact CZ-OE2 3.87Å; R82-E100 IonicContact NH1-OE1 3.17Å; R82-E100 PolarHBondContact NH1-OE1 2.86Å; R82-E100 IonicContact NH1-OE2 3.58Å; R82-E100 PolarHBondContact NH1-OE2 3.28Å; R82-E100 IonicContact NH2-OE2 3.44Å; R82-E100 PolarHBondContact NH2-OE2 2.81Å; E100-E102 WeakPolarHBondContact CB-OE2 3.41Å; E100-E102 PolarHBondContact O-N 2.92Å; E100-D103 PolarHBondContact N-OD2 2.82Å; E100-D103 VanDerWaalsContact O-CB 3.32Å; E100-D103 WeakPolarHBondContact O-CB 3.41Å; E100-D103 PolarHBondContact O-N 3.02Å
101	A	97.3	Very high	97.7	Very high	78 Å²	78	46.5 Å²	46.5	65%	0.645	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-62.2	-31.4	-174	0	0	0	0	0	112.6	L37 D103	L37-A101 HydrophobicContact CD2-CB 4.29Å; A101-D103 PolarHBondContact O-N 2.9Å
102	E	96.6	Very high	97.1	Very high	85 Å²	85	47.3 Å²	47.3	40%	0.397	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-74.5	-7.1	177.3	71.4	-96.3	-148.8	0	0	114.9	K60 R82 E100	K60-E102 WeakPolarHBondContact CE-O 3.26Å; K60-E102 PolarHBondContact NZ-O 3.45Å; R82-E102 IonicContact CZ-OE1 2.84Å; R82-E102 IonicContact NH1-OE1 3.27Å; R82-E102 IonicContact NH2-OE1 3.66Å; R82-E102 PolarHBondContact NH2-OE1 2.96Å; E100-E102 WeakPolarHBondContact CB-OE2 3.41Å; E100-E102 PolarHBondContact O-N 2.92Å
103	D	97.7	Very high	96.2	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.059	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82.7	-4.9	-179.6	-60	-23.8	0	0	0	112	R82 F83 E100 A101 A105 Y107	R82-D103 IonicContact CZ-OD1 3.77Å; R82-D103 IonicContact CZ-OD2 2.85Å; R82-D103 IonicContact NE-OD1 2.73Å; R82-D103 PolarHBondContact NE-OD1 2.82Å; R82-D103 IonicContact NE-OD2 3.62Å; R82-D103 PolarHBondContact NE-OD2 2.95Å; R82-D103 IonicContact NH2-OD1 3.06Å; R82-D103 PolarHBondContact NH2-OD1 3.29Å; R82-D103 IonicContact NH2-OD2 2.94Å; F83-D103 VanDerWaalsContact CZ-OD1 3.3Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.19Å; E100-D103 PolarHBondContact N-OD2 2.82Å; E100-D103 VanDerWaalsContact O-CB 3.32Å; E100-D103 WeakPolarHBondContact O-CB 3.41Å; E100-D103 PolarHBondContact O-N 3.02Å; A101-D103 PolarHBondContact O-N 2.9Å; D103-A105 PolarHBondContact O-N 2.81Å; D103-Y107 WeakPolarHBondContact O-CE2 3.45Å; D103-Y107 PolarHBondContact O-OH 2.81Å
104	A	97.2	Very high	95.1	Very high	79 Å²	79	50 Å²	50	65%	0.653	28%	0.282	S	S	*	.			trans	-63.2	100	169.9	0	0	0	0	0	110.7
105	A	97.9	Very high	93.7	Very high	28 Å²	28	56.6 Å²	56.6	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-162.5	164.9	-173.9	0	0	0	0	0	110.8	Q58 Q59 K60 D103 Y107	Q58-A105 HydrophobicContact CG-CB 3.42Å; Q58-A105 VanDerWaalsContact CG-CB 3.42Å; Q59-A105 WeakPolarHBondContact O-CA 3.38Å; Q59-A105 WeakPolarHBondContact O-CB 3.38Å; K60-A105 HydrophobicContact CG-CB 4.18Å; D103-A105 PolarHBondContact O-N 2.81Å; A105-Y107 HydrophobicContact CB-CE2 4.05Å; A105-Y107 WeakPolarHBondContact O-CD2 3.41Å; A105-Y107 WeakPolarHBondContact O-CE2 3.46Å
106	D	98	Very high	91.9	Very high	87 Å²	87	63.8 Å²	63.8	47%	0.465	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	140.9	163.9	-62.8	-55.5	0	0	0	109.8	Q58 Q59 Y108	Q58-D106 CarbonylContact C-O 3.57Å; Q59-D106 HydrophobicContact CB-CB 4.42Å; Q59-D106 PolarHBondContact N-O 3.15Å; Q59-D106 PolarHBondContact O-N 3.35Å; D106-Y108 HydrophobicContact CB-CE2 3.74Å; D106-Y108 WeakPolarHBondContact CB-OH 3.26Å
107	Y	98.3	Very high	91.6	Very high	25 Å²	25	66.9 Å²	66.9	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.1	-180	-66.7	-93.3	0	0	0	110.8	Q28 L43 Y57 Q58 L68 F83 L94 I96 D103 A105	Q28-Y107 PolarHBondContact NE2-O 2.86Å; L43-Y107 HydrophobicContact CD1-CD2 3.86Å; L43-Y107 HydrophobicContact CD1-CG 3.74Å; Y57-Y107 VanDerWaalsContact O-CA 3.3Å; Y57-Y107 WeakPolarHBondContact O-CA 3.44Å; Q58-Y107 HydrophobicContact CB-CD1 4.23Å; Q58-Y107 HydrophobicContact CB-CE1 3.99Å; Q58-Y107 HydrophobicContact CG-CD1 4.32Å; Q58-Y107 HydrophobicContact CG-CE1 3.76Å; Q58-Y107 PolarHBondContact NE2-OH 2.84Å; L68-Y107 HydrophobicContact CD2-CD1 4.04Å; L68-Y107 HydrophobicContact CD2-CE1 3.86Å; F83-Y107 HydrophobicContact CE1-CE1 4.16Å; L94-Y107 HydrophobicContact CD2-CD1 3.55Å; L94-Y107 HydrophobicContact CD2-CE1 4.12Å; L94-Y107 HydrophobicContact CD2-CG 4.21Å; I96-Y107 HydrophobicContact CD1-CE1 4.36Å; D103-Y107 WeakPolarHBondContact O-CE2 3.45Å; D103-Y107 PolarHBondContact O-OH 2.81Å; A105-Y107 HydrophobicContact CB-CE2 4.05Å; A105-Y107 WeakPolarHBondContact O-CD2 3.41Å; A105-Y107 WeakPolarHBondContact O-CE2 3.46Å
108	Y	97.9	Very high	91.2	Very high	94 Å²	94	67.4 Å²	67.4	37%	0.369	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.1	-177.1	-54.7	-75.6	0	0	0	111.5	W56 Y57 Q59 D106	W56-Y108 CarbonylContact C-O 3.57Å; W56-Y108 WeakPolarHBondContact CA-O 3.4Å; Y57-Y108 PolarHBondContact N-O 2.83Å; Y57-Y108 PolarHBondContact O-N 2.82Å; Q59-Y108 HydrophobicContact CB-CD2 4.47Å; Q59-Y108 HydrophobicContact CB-CE2 3.88Å; Q59-Y108 VanDerWaalsContact OE1-CE2 3.29Å; D106-Y108 HydrophobicContact CB-CE2 3.74Å; D106-Y108 WeakPolarHBondContact CB-OH 3.26Å
109	C	97.5	Very high	90.8	Very high	12 Å²	12	68.8 Å²	68.8	8%	0.081	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.7	169.7	66.9	0	0	0	0	110.9	L26 Q28 C45 M54 H55 W56	L26-C109 WeakPolarHBondContact CD1-O 3.08Å; Q28-C109 VanDerWaalsContact CG-SG 3.51Å; Q28-C109 PolarHBondContact OE1-SG 2.9Å; C45-C109 HydrophobicContact CB-CB 3.46Å; C45-C109 VanDerWaalsContact CB-CB 3.46Å; C45-C109 WeakPolarHBondContact CB-SG 3.36Å; C45-C109 WeakPolarHBondContact SG-CB 3.45Å; C45-C109 CovalentContact SG-SG 2.03Å; C45-C109 PolarHBondContact SG-SG 3.34Å; M54-C109 HydrophobicContact CG-CB 4.26Å; M54-C109 HydrophobicContact SD-CB 3.67Å; H55-C109 CarbonylContact O-C 3.54Å; H55-C109 VanDerWaalsContact O-CA 3.26Å; H55-C109 WeakPolarHBondContact O-CA 3.3Å; W56-C109 HydrophobicContact CD2-CB 4.16Å; W56-C109 HydrophobicContact CE3-CB 4Å; W56-C109 HydrophobicContact CH2-CB 4.01Å; W56-C109 HydrophobicContact CZ2-CB 4.14Å; W56-C109 HydrophobicContact CZ3-CB 3.93Å
110	H	95.7	Very high	90.3	Very high	84 Å²	84	71.9 Å²	71.9	39%	0.389	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.1	179.7	-177.4	74.1	0	0	0	111	M54 H55 Y57	M54-H110 VanDerWaalsContact SD-C 3.6Å; M54-H110 VanDerWaalsContact SD-O 3.33Å; H55-H110 HydrophobicContact CB-CB 4.48Å; H55-H110 PolarHBondContact N-O 3.05Å; H55-H110 PolarHBondContact O-N 3.03Å; Y57-H110 HydrophobicContact CD2-CB 4.32Å; Y57-H110 HydrophobicContact CE2-CB 3.9Å
111	Q	93.4	Very high	89.8	Confident	16 Å²	16	71.8 Å²	71.8	8%	0.075	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.8	179.6	64.8	77.9	38.6	0	0	111	I24 L26 V51 M54 S113 S114	I24-Q111 HydrophobicContact CB-CG 4.5Å; I24-Q111 HydrophobicContact CG2-CG 4.25Å; L26-Q111 HydrophobicContact CD1-CB 4.43Å; L26-Q111 HydrophobicContact CD1-CG 4.12Å; L26-Q111 HydrophobicContact CD2-CG 4.14Å; L26-Q111 HydrophobicContact CG-CG 4.39Å; V51-Q111 HydrophobicContact CB-CB 4.07Å; V51-Q111 HydrophobicContact CG1-CB 3.78Å; V51-Q111 HydrophobicContact CG1-CG 3.95Å; V51-Q111 HydrophobicContact CG2-CB 4.22Å; M54-Q111 HydrophobicContact CE-CB 4.41Å; Q111-S113 VanDerWaalsContact OE1-CA 3.29Å; Q111-S114 PolarHBondContact NE2-O 3.3Å
112	W	83.9	Confident	89.3	Confident	154 Å²	154	71.4 Å²	71.4	58%	0.583	38%	0.377	S	S	*	.	S	Bend	trans	-99.8	-6.2	178.6	-169.1	-82.3	0	0	0	113.8	S114 Y115	W112-S114 PolarHBondContact O-N 2.91Å; W112-Y115 WeakPolarHBondContact CH2-OH 3.36Å; W112-Y115 WeakPolarHBondContact CZ2-OH 3.44Å; W112-Y115 PolarHBondContact NE1-OH 2.83Å
113	S	80.2	Confident	88.8	Confident	53 Å²	53	70.4 Å²	70.4	37%	0.371	38%	0.376	S	S	.	.	S	Bend	trans	-73.1	-24	-169	-56	0	0	0	0	115	V51 S52 Q111	V51-S113 WeakPolarHBondContact CA-OG 3.4Å; S52-S113 PolarHBondContact N-OG 3.11Å; Q111-S113 VanDerWaalsContact OE1-CA 3.29Å
114	S	75	Confident	88.1	Confident	33 Å²	33	75 Å²	75	23%	0.231	40%	0.4	C	S	.	.			trans	-142.8	137.9	177.2	-171.5	0	0	0	0	111.2	G22 Q111 W112	G22-S114 PolarHBondContact O-OG 3.41Å; Q111-S114 PolarHBondContact NE2-O 3.3Å; W112-S114 PolarHBondContact O-N 2.91Å
115	Y	70.5	Confident	87.4	Confident	138 Å²	138	74.7 Å²	74.7	54%	0.541	38%	0.379	S	S	.	.			trans	-104.8	143.8	169.3	-60.8	-82.6	0	0	0	108.8	W112	W112-Y115 WeakPolarHBondContact CH2-OH 3.36Å; W112-Y115 WeakPolarHBondContact CZ2-OH 3.44Å; W112-Y115 PolarHBondContact NE1-OH 2.83Å
116	P	60.3	Low	86.4	Confident	172 Å²	172	78.9 Å²	78.9	100%	1.117	39%	0.393	S	S	*	.			trans	-60.9	0	174.9	26.2	-33.3	0	0	0	113

Retrieved 116 of 116 residues in 60.1 ms (Link to these results)

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