A0A075B5S3_MOUSE Loading...

Immunoglobulin heavy variable 14-4

AlphaFold DB , UniProt , Accession A0A075B5S3, Species MOUSE (Mus musculus, Mouse), Gene Ighv14-4, Length 111 aa.

						>A0A075B5S3_MOUSE|A0A075B5S3|Ighv14-4
MQLGHLLPDGSGVNSEVQLQQSGAELVRPGASVKLSCTASGFNIKDDYMHWVKQRPEQGLEWIGWIDPENGDTEYASKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYC
					

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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	37.4	Very low	41.4	Very low	145 Å²	145	131.6 Å²	131.6	71%	0.714	76%	0.757	S	S	*	*				0	127.5	0	-168.6	-179.6	-64.5	0	0	108.9	L3 C111	M1-L3 HydrophobicContact SD-CD1 4.45Å; M1-C111 PolarHBondContact N-OXT 3.05Å
2	Q	33.7	Very low	42	Very low	137 Å²	137	124.8 Å²	124.8	64%	0.64	74%	0.736	S	S	*	*			trans	-94.6	100.7	179.9	-167.8	148	8.8	0	0	110.4	G4	Q2-G4 PolarHBondContact O-N 3.43Å
3	L	33.3	Very low	43.2	Very low	124 Å²	124	126.6 Å²	126.6	65%	0.649	75%	0.749	S	S	*	*			trans	-96.6	74.2	172.4	-84.9	160.9	0	0	0	109.2	M1 H5	M1-L3 HydrophobicContact SD-CD1 4.45Å; L3-H5 PolarHBondContact O-N 3.45Å
4	G	39.8	Very low	44.1	Very low	45 Å²	45	128 Å²	128	46%	0.464	75%	0.751	S	S	.	*			trans	-79	113.6	170.1	0	0	0	0	0	110.4	Q2	Q2-G4 PolarHBondContact O-N 3.43Å
5	H	44.9	Very low	46	Very low	165 Å²	165	125.1 Å²	125.1	76%	0.764	74%	0.741	S	S	*	*			trans	-92	114.7	161.5	-74.1	78.5	0	0	0	108.2	L3	L3-H5 PolarHBondContact O-N 3.45Å
6	L	37.6	Very low	48.6	Very low	172 Å²	172	122.8 Å²	122.8	90%	0.901	72%	0.72	S	S	*	*			trans	-84.1	120.4	169.3	-66.8	170.3	0	0	0	108.8
7	L	47	Very low	51	Low	162 Å²	162	120.5 Å²	120.5	85%	0.848	71%	0.708	S	S	*	*			trans	-123	141.4	163.4	-68.2	179.4	0	0	0	109.8
8	P	41.4	Very low	53.5	Low	120 Å²	120	117.3 Å²	117.3	78%	0.779	69%	0.685	S	S	*	*			trans	-82.2	138.9	-170.6	33.8	-34.4	0	0	0	112.5
9	D	43.2	Very low	55.7	Low	174 Å²	174	113.5 Å²	113.5	93%	0.93	66%	0.661	S	S	*	*			trans	39.5	100.6	158.4	-74.5	-20.1	0	0	0	119.6
10	G	49.8	Very low	57.8	Low	65 Å²	65	114.4 Å²	114.4	67%	0.67	66%	0.659	S	S	*	*			trans	-171.7	124.6	158.8	0	0	0	0	0	109.3	G12	G10-G12 PolarHBondContact O-N 2.76Å
11	S	47.2	Very low	59.7	Low	139 Å²	139	111 Å²	111	97%	0.972	64%	0.637	S	S	*	*	S	Bend	trans	-55	96.2	-178.4	51.9	0	0	0	0	112.5
12	G	49.5	Very low	62.5	Low	49 Å²	49	105.8 Å²	105.8	51%	0.505	62%	0.615	S	S	.	*			trans	-157.7	125.8	171.7	0	0	0	0	0	107.8	G10 N14	G10-G12 PolarHBondContact O-N 2.76Å; G12-N14 PolarHBondContact O-N 3.02Å
13	V	56.4	Low	65.5	Low	149 Å²	149	102 Å²	102	90%	0.903	61%	0.613	S	S	*	*			trans	-69.6	90.6	172.3	-177.5	0	0	0	0	106.4
14	N	56.6	Low	68.5	Low	146 Å²	146	101.4 Å²	101.4	78%	0.781	63%	0.626	S	S	*	*			trans	-81.9	118	171.9	-69.9	-32.6	0	0	0	107.8	G12 E16	G12-N14 PolarHBondContact O-N 3.02Å; N14-E16 PolarHBondContact O-N 3.16Å
15	S	72.4	Confident	71.2	Confident	84 Å²	84	104.9 Å²	104.9	59%	0.587	63%	0.63	S	S	*	*			trans	-75	104.7	171.6	-65.8	0	0	0	0	109	V17	S15-V17 PolarHBondContact O-N 3.21Å
16	E	87.5	Confident	73.7	Confident	89 Å²	89	105.3 Å²	105.3	42%	0.416	64%	0.637	S	S	.	*			trans	-66.6	125.6	169.8	-171.7	-172.8	176.4	0	0	109.1	N14 Q18 G41	N14-E16 PolarHBondContact O-N 3.16Å; E16-Q18 HydrophobicContact CB-CG 4.46Å; E16-Q18 HydrophobicContact CG-CG 3.97Å; E16-Q18 PolarHBondContact O-N 2.97Å; E16-Q18 PolarHBondContact OE1-NE2 3.29Å; E16-Q18 PolarHBondContact OE2-NE2 3Å; E16-G41 WeakPolarHBondContact O-CA 3.42Å
17	V	89.9	Confident	76.4	Confident	84 Å²	84	99.9 Å²	99.9	51%	0.509	61%	0.611	S	S	.	*			trans	-73.9	121.3	172.3	173.3	0	0	0	0	108.7	S15 S40 F42	S15-V17 PolarHBondContact O-N 3.21Å; V17-S40 WeakPolarHBondContact CA-O 3.19Å; V17-F42 HydrophobicContact CB-CD1 4.49Å; V17-F42 HydrophobicContact CG1-CD1 3.7Å; V17-F42 HydrophobicContact CG1-CE1 3.77Å; V17-F42 HydrophobicContact CG2-CD1 4.31Å
18	Q	95	Very high	78.8	Confident	63 Å²	63	102.2 Å²	102.2	29%	0.294	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.6	144.1	177.5	-57.6	-178.1	-20.7	0	0	110.5	E16 A39 S40	E16-Q18 HydrophobicContact CB-CG 4.46Å; E16-Q18 HydrophobicContact CG-CG 3.97Å; E16-Q18 PolarHBondContact O-N 2.97Å; E16-Q18 PolarHBondContact OE1-NE2 3.29Å; E16-Q18 PolarHBondContact OE2-NE2 3Å; Q18-A39 CarbonylContact O-C 3.57Å; Q18-A39 WeakPolarHBondContact O-CA 3.37Å; Q18-S40 PolarHBondContact N-O 3.05Å; Q18-S40 PolarHBondContact O-N 2.86Å
19	L	96.4	Very high	81.3	Confident	44 Å²	44	102 Å²	102	23%	0.23	61%	0.607	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	111.4	172.9	-66	-179.2	0	0	0	108.8	A39 F42 M49 C111	L19-A39 HydrophobicContact CD2-CB 3.73Å; L19-F42 HydrophobicContact CD2-CE1 3.83Å; L19-F42 HydrophobicContact CD2-CZ 3.93Å; L19-M49 HydrophobicContact CD1-CE 4.42Å; L19-M49 HydrophobicContact CD2-CE 4Å; L19-C111 HydrophobicContact CD1-CB 4.46Å; L19-C111 VanDerWaalsContact CD1-O 3.29Å; L19-C111 WeakPolarHBondContact CD1-O 3.13Å
20	Q	97.4	Very high	83.9	Confident	131 Å²	131	96.2 Å²	96.2	61%	0.612	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103	115.5	-179.8	-178.4	58.3	62.5	0	0	110.3	T38	Q20-T38 PolarHBondContact N-O 2.73Å; Q20-T38 PolarHBondContact O-N 3.03Å
21	Q	98	Very high	86.2	Confident	43 Å²	43	94.9 Å²	94.9	20%	0.201	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.1	158.1	177.5	-69	-176.8	-105.7	0	0	112.8	S36 C37 Y109 C111	Q21-S36 CarbonylContact C-O 3.52Å; Q21-S36 WeakPolarHBondContact CA-O 3.45Å; Q21-C37 HydrophobicContact CG-CB 4.35Å; Q21-Y109 PolarHBondContact NE2-O 3.26Å; Q21-Y109 PolarHBondContact OE1-O 2.88Å; Q21-C111 WeakPolarHBondContact CG-SG 3.1Å; Q21-C111 PolarHBondContact OE1-OXT 2.93Å
22	S	95.9	Very high	88.6	Confident	36 Å²	36	91.4 Å²	91.4	25%	0.252	55%	0.547	S	S	.	.			trans	-57.6	157.4	165.2	52.1	0	0	0	0	111.3	S36	S22-S36 WeakPolarHBondContact CB-OG 3.42Å; S22-S36 PolarHBondContact N-O 3.02Å; S22-S36 PolarHBondContact OG-N 3.26Å
23	G	96.6	Very high	90.9	Very high	59 Å²	59	89.9 Å²	89.9	61%	0.608	53%	0.528	S	S	*	.			trans	-65.2	178.8	177.7	0	0	0	0	0	113.8
24	A	96.9	Very high	92.9	Very high	111 Å²	111	88 Å²	88	92%	0.917	51%	0.507	S	S	*	.			trans	-66.6	136	176.2	0	0	0	0	0	111.3
25	E	96.3	Very high	94.9	Very high	117 Å²	117	81.9 Å²	81.9	55%	0.547	47%	0.474	S	S	.	.			trans	-113.1	130.6	-178.8	-69	-66.8	163.9	0	0	110.4	V33 L35	E25-V33 HydrophobicContact CB-CG2 3.71Å; E25-V33 HydrophobicContact CG-CG2 3.7Å; E25-L35 HydrophobicContact CG-CD2 4.24Å
26	L	96.2	Very high	96.1	Very high	175 Å²	175	79.3 Å²	79.3	92%	0.916	46%	0.457	S	S	*	.			trans	-108.1	114.3	171.6	-179	65	0	0	0	109.3
27	V	95.4	Very high	96.7	Very high	57 Å²	57	75.1 Å²	75.1	35%	0.345	44%	0.437	S	S	.	.			trans	-126.1	151.3	-173.8	-64.1	0	0	0	0	111.5	A31 V33 L101	V27-A31 HydrophobicContact CB-CB 4.46Å; V27-V33 HydrophobicContact CG1-CB 4.18Å; V27-V33 HydrophobicContact CG1-CG2 4.17Å; V27-L101 HydrophobicContact CB-CD1 4.47Å; V27-L101 HydrophobicContact CG2-CD1 3.49Å; V27-L101 VanDerWaalsContact CG2-CD1 3.49Å
28	R	95.8	Very high	97	Very high	212 Å²	212	73.8 Å²	73.8	80%	0.8	43%	0.429	S	S	*	.			trans	-78.3	149.2	177	-72.1	-179.7	-102.2	-167.5	-5.3	110.4	G30 A31	R28-G30 PolarHBondContact O-N 3.36Å; R28-A31 WeakPolarHBondContact O-CB 3.39Å; R28-A31 PolarHBondContact O-N 2.9Å
29	P	95.6	Very high	97.1	Very high	114 Å²	114	71.1 Å²	71.1	74%	0.74	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.7	170.3	-25.4	34.5	0	0	0	111.7	A31 L101	P29-A31 VanDerWaalsContact C-N 3.26Å; P29-A31 PolarHBondContact O-N 2.78Å; P29-L101 CarbonylContact C-O 3.57Å; P29-L101 WeakPolarHBondContact CA-O 3.5Å
30	G	97	Very high	97.1	Very high	53 Å²	53	71.5 Å²	71.5	55%	0.546	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-12.6	-174.9	0	0	0	0	0	114.9	R28 L101	R28-G30 PolarHBondContact O-N 3.36Å; G30-L101 PolarHBondContact N-O 2.83Å
31	A	97.9	Very high	96.9	Very high	37 Å²	37	67.1 Å²	67.1	31%	0.306	41%	0.414	S	S	.	.			trans	-75.1	172.9	176.2	0	0	0	0	0	112.1	V27 R28 P29 S100 L101	V27-A31 HydrophobicContact CB-CB 4.46Å; R28-A31 WeakPolarHBondContact O-CB 3.39Å; R28-A31 PolarHBondContact O-N 2.9Å; P29-A31 VanDerWaalsContact C-N 3.26Å; P29-A31 PolarHBondContact O-N 2.78Å; A31-S100 PolarHBondContact O-N 2.57Å; A31-L101 WeakPolarHBondContact O-CG 3.4Å; A31-L101 PolarHBondContact O-N 3.49Å
32	S	97.8	Very high	96.7	Very high	67 Å²	67	67.6 Å²	67.6	47%	0.469	42%	0.416	S	S	.	.			trans	-114.1	151.8	172.4	-55.6	0	0	0	0	110.3	L98 S99	S32-L98 CarbonylContact C-O 3.55Å; S32-L98 WeakPolarHBondContact CA-O 3.45Å; S32-L98 VanDerWaalsContact CB-O 3.3Å; S32-L98 WeakPolarHBondContact CB-O 3.19Å; S32-S99 WeakPolarHBondContact OG-CA 3.33Å
33	V	98.1	Very high	96.6	Very high	17 Å²	17	69 Å²	69	10%	0.103	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.6	173.4	73.9	0	0	0	0	109.5	E25 V27 L35 Q97 L98 L101	E25-V33 HydrophobicContact CB-CG2 3.71Å; E25-V33 HydrophobicContact CG-CG2 3.7Å; V27-V33 HydrophobicContact CG1-CB 4.18Å; V27-V33 HydrophobicContact CG1-CG2 4.17Å; V33-L35 HydrophobicContact CG1-CD2 4.4Å; V33-L35 HydrophobicContact CG2-CD2 3.98Å; V33-Q97 CarbonylContact O-C 3.5Å; V33-Q97 VanDerWaalsContact O-CA 3.32Å; V33-Q97 WeakPolarHBondContact O-CA 3.3Å; V33-L98 HydrophobicContact CG1-CB 4.17Å; V33-L98 HydrophobicContact CG1-CD1 4.34Å; V33-L98 PolarHBondContact N-O 3.01Å; V33-L98 PolarHBondContact O-N 2.8Å; V33-L101 HydrophobicContact CB-CD1 4.03Å; V33-L101 HydrophobicContact CG1-CD1 3.79Å
34	K	98.2	Very high	96.6	Very high	109 Å²	109	66.2 Å²	66.2	47%	0.474	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	110.6	172.5	-173.2	176.1	177.2	178.8	0	109.2	Y95 L96 Q97	K34-Y95 HydrophobicContact CD-CD1 4.43Å; K34-Y95 VanDerWaalsContact CE-CB 3.47Å; K34-Y95 VanDerWaalsContact CE-CD1 3.44Å; K34-Y95 VanDerWaalsContact CE-CG 3.4Å; K34-Y95 HydrophobicContact CG-CD1 4.39Å; K34-L96 WeakPolarHBondContact CA-O 3.11Å; K34-Q97 HydrophobicContact CG-CB 4.42Å
35	L	98.4	Very high	96.6	Very high	17 Å²	17	64.9 Å²	64.9	9%	0.089	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	147.1	176	-50.5	-179.6	0	0	0	109.3	E25 V33 W51 Y95 L96 Y109	E25-L35 HydrophobicContact CG-CD2 4.24Å; V33-L35 HydrophobicContact CG1-CD2 4.4Å; V33-L35 HydrophobicContact CG2-CD2 3.98Å; L35-W51 HydrophobicContact CB-CH2 3.96Å; L35-W51 HydrophobicContact CB-CZ3 3.99Å; L35-W51 HydrophobicContact CD1-CZ3 4.26Å; L35-Y95 VanDerWaalsContact O-CA 3.22Å; L35-Y95 WeakPolarHBondContact O-CA 3.44Å; L35-L96 HydrophobicContact CD1-CD2 4.38Å; L35-L96 PolarHBondContact N-O 3.33Å; L35-L96 PolarHBondContact O-N 3.17Å; L35-Y109 HydrophobicContact CD1-CD1 4.32Å; L35-Y109 HydrophobicContact CD1-CD2 4.15Å; L35-Y109 HydrophobicContact CD1-CG 3.74Å
36	S	98.4	Very high	96.6	Very high	31 Å²	31	65.6 Å²	65.6	22%	0.217	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150	174.2	64.2	0	0	0	0	111.3	Q21 S22 A94	Q21-S36 CarbonylContact C-O 3.52Å; Q21-S36 WeakPolarHBondContact CA-O 3.45Å; S22-S36 WeakPolarHBondContact CB-OG 3.42Å; S22-S36 PolarHBondContact N-O 3.02Å; S22-S36 PolarHBondContact OG-N 3.26Å; S36-A94 CarbonylContact C-O 3.52Å; S36-A94 WeakPolarHBondContact CA-O 3.42Å
37	C	98.4	Very high	96.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	106.1	174.3	178.3	0	0	0	0	108.8	Q21 W51 T93 A94 C111	Q21-C37 HydrophobicContact CG-CB 4.35Å; C37-W51 HydrophobicContact CB-CH2 3.91Å; C37-W51 HydrophobicContact CB-CZ2 3.86Å; C37-T93 CarbonylContact O-C 3.45Å; C37-T93 VanDerWaalsContact O-CA 3.28Å; C37-T93 WeakPolarHBondContact O-CA 3.27Å; C37-T93 WeakPolarHBondContact O-CG2 3.49Å; C37-A94 HydrophobicContact CB-CB 4.5Å; C37-A94 PolarHBondContact N-O 2.96Å; C37-A94 PolarHBondContact O-N 2.92Å; C37-C111 HydrophobicContact CB-CB 3.7Å; C37-C111 WeakPolarHBondContact CB-SG 3.32Å; C37-C111 WeakPolarHBondContact SG-CB 3.47Å; C37-C111 CovalentContact SG-SG 2.01Å; C37-C111 PolarHBondContact SG-SG 2.77Å
38	T	98.1	Very high	96.7	Very high	57 Å²	57	64.5 Å²	64.5	35%	0.35	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.1	-179.7	-50.8	0	0	0	0	109.3	Q20 T93	Q20-T38 PolarHBondContact N-O 2.73Å; Q20-T38 PolarHBondContact O-N 3.03Å; T38-T93 PolarHBondContact OG1-OG1 2.79Å
39	A	96.9	Very high	96.8	Very high	7 Å²	7	54.8 Å²	54.8	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.6	175.7	0	0	0	0	0	111.6	Q18 L19 F42 I44 N92	Q18-A39 CarbonylContact O-C 3.57Å; Q18-A39 WeakPolarHBondContact O-CA 3.37Å; L19-A39 HydrophobicContact CD2-CB 3.73Å; A39-F42 HydrophobicContact CB-CD1 4.06Å; A39-F42 HydrophobicContact CB-CE1 3.36Å; A39-F42 HydrophobicContact CB-CE2 4.46Å; A39-F42 HydrophobicContact CB-CZ 3.6Å; A39-I44 HydrophobicContact CB-CG2 3.37Å; A39-N92 VanDerWaalsContact C-ND2 3.35Å; A39-N92 WeakPolarHBondContact CB-ND2 3.46Å; A39-N92 PolarHBondContact N-O 2.9Å; A39-N92 PolarHBondContact O-ND2 2.9Å
40	S	95.1	Very high	96.9	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.7	164.6	56.8	0	0	0	0	110.4	V17 Q18 F42	V17-S40 WeakPolarHBondContact CA-O 3.19Å; Q18-S40 PolarHBondContact N-O 3.05Å; Q18-S40 PolarHBondContact O-N 2.86Å; S40-F42 VanDerWaalsContact C-N 3.28Å; S40-F42 PolarHBondContact O-N 3.27Å
41	G	93.5	Very high	97	Very high	38 Å²	38	50.9 Å²	50.9	39%	0.392	28%	0.279	S	S	.	.	S	Bend	trans	86.2	-10.5	-176.3	0	0	0	0	0	114.9	E16	E16-G41 WeakPolarHBondContact O-CA 3.42Å
42	F	93.2	Very high	97	Very high	54 Å²	54	50.8 Å²	50.8	24%	0.237	27%	0.274	C	S	.	.	S	Bend	trans	-151.5	165.5	173.2	76.4	-70.3	0	0	0	110.7	V17 L19 A39 S40 I44 D47 M49 N92	V17-F42 HydrophobicContact CB-CD1 4.49Å; V17-F42 HydrophobicContact CG1-CD1 3.7Å; V17-F42 HydrophobicContact CG1-CE1 3.77Å; V17-F42 HydrophobicContact CG2-CD1 4.31Å; L19-F42 HydrophobicContact CD2-CE1 3.83Å; L19-F42 HydrophobicContact CD2-CZ 3.93Å; A39-F42 HydrophobicContact CB-CD1 4.06Å; A39-F42 HydrophobicContact CB-CE1 3.36Å; A39-F42 HydrophobicContact CB-CE2 4.46Å; A39-F42 HydrophobicContact CB-CZ 3.6Å; S40-F42 VanDerWaalsContact C-N 3.28Å; S40-F42 PolarHBondContact O-N 3.27Å; F42-I44 HydrophobicContact CE2-CG2 4.27Å; F42-I44 HydrophobicContact CZ-CG2 4.25Å; F42-D47 HydrophobicContact CE2-CB 4.21Å; F42-M49 HydrophobicContact CZ-SD 4.34Å; F42-N92 PolarHBondContact O-ND2 3.48Å
43	N	95.4	Very high	96.9	Very high	66 Å²	66	47.7 Å²	47.7	35%	0.353	25%	0.252	S	S	.	.			trans	-93.1	126.6	171.7	-175	-15.7	0	0	0	109.2	K45 D46 N92	N43-K45 PolarHBondContact O-N 3.03Å; N43-K45 VanDerWaalsContact O-N 3.09Å; N43-K45 WeakPolarHBondContact OD1-CB 3.41Å; N43-K45 WeakPolarHBondContact OD1-CG 3.28Å; N43-K45 PolarHBondContact OD1-N 3.09Å; N43-D46 WeakPolarHBondContact O-CB 3.39Å; N43-D46 PolarHBondContact O-N 2.85Å; N43-N92 WeakPolarHBondContact CA-OD1 3.45Å
44	I	96.9	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-61.2	-20.4	179.6	63.8	171.6	0	0	0	112.8	A39 F42 D46 D47 M49 P68 A87 T89 N92	A39-I44 HydrophobicContact CB-CG2 3.37Å; F42-I44 HydrophobicContact CE2-CG2 4.27Å; F42-I44 HydrophobicContact CZ-CG2 4.25Å; I44-D46 PolarHBondContact O-N 3.32Å; I44-D47 PolarHBondContact O-N 2.99Å; I44-M49 HydrophobicContact CB-CG 4.34Å; I44-M49 HydrophobicContact CB-SD 4.44Å; I44-M49 HydrophobicContact CG2-CG 4.46Å; I44-M49 HydrophobicContact CG2-SD 4.07Å; I44-P68 HydrophobicContact CB-CB 4.36Å; I44-P68 HydrophobicContact CB-CG 4.13Å; I44-P68 HydrophobicContact CD1-CB 4Å; I44-P68 HydrophobicContact CD1-CG 4.24Å; I44-P68 HydrophobicContact CG1-CB 3.91Å; I44-P68 HydrophobicContact CG1-CG 4.19Å; I44-P68 WeakPolarHBondContact O-CD 3.5Å; I44-P68 WeakPolarHBondContact O-CG 3.22Å; I44-A87 HydrophobicContact CD1-CB 4.09Å; I44-T89 HydrophobicContact CD1-CG2 4.41Å; I44-T89 HydrophobicContact CG1-CG2 4.39Å; I44-N92 WeakPolarHBondContact CG2-OD1 3.29Å; I44-N92 PolarHBondContact N-OD1 2.93Å
45	K	97	Very high	96.6	Very high	83 Å²	83	47.1 Å²	47.1	36%	0.361	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-61.8	-19.2	174.2	-71.2	-168.4	70.6	-172.7	0	113.6	N43 T89	N43-K45 PolarHBondContact O-N 3.03Å; N43-K45 VanDerWaalsContact O-N 3.09Å; N43-K45 WeakPolarHBondContact OD1-CB 3.41Å; N43-K45 WeakPolarHBondContact OD1-CG 3.28Å; N43-K45 PolarHBondContact OD1-N 3.09Å; K45-T89 HydrophobicContact CD-CG2 3.93Å; K45-T89 HydrophobicContact CG-CG2 3.4Å; K45-T89 VanDerWaalsContact CG-CG2 3.4Å
46	D	95.7	Very high	96.1	Very high	131 Å²	131	52.4 Å²	52.4	70%	0.701	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-92.7	-1.5	-175.9	-54.6	-35.3	0	0	0	112.4	N43 I44	N43-D46 WeakPolarHBondContact O-CB 3.39Å; N43-D46 PolarHBondContact O-N 2.85Å; I44-D46 PolarHBondContact O-N 3.32Å
47	D	95.2	Very high	95.5	Very high	92 Å²	92	60 Å²	60	49%	0.492	32%	0.316	S	S	.	.	S	Bend	trans	-149.7	155.7	-176.3	-149	-25.8	0	0	0	113.4	F42 I44 P68	F42-D47 HydrophobicContact CE2-CB 4.21Å; I44-D47 PolarHBondContact O-N 2.99Å; D47-P68 WeakPolarHBondContact O-CD 3.18Å
48	Y	97.8	Very high	94.9	Very high	117 Å²	117	64.3 Å²	64.3	46%	0.459	34%	0.336	S	S	.	.			trans	-77.4	131	174.4	-63.8	-84.6	0	0	0	110.6	H50 W65 I66 D67	Y48-H50 PolarHBondContact O-CD2 2.85Å; Y48-H50 PolarHBondContact O-N 2.84Å; Y48-W65 HydrophobicContact CD1-CD2 4.06Å; Y48-W65 AromaticContact CD1-CE3 3.45Å; Y48-W65 HydrophobicContact CD1-CE3 3.45Å; Y48-W65 VanDerWaalsContact CD1-CE3 3.45Å; Y48-W65 HydrophobicContact CD1-CH2 4.33Å; Y48-W65 AromaticContact CD1-CZ3 3.61Å; Y48-W65 HydrophobicContact CD1-CZ3 3.61Å; Y48-W65 AromaticContact CE1-CE3 3.92Å; Y48-W65 HydrophobicContact CE1-CE3 3.92Å; Y48-W65 AromaticContact CE1-CH2 3.95Å; Y48-W65 HydrophobicContact CE1-CH2 3.95Å; Y48-W65 AromaticContact CE1-CZ3 3.58Å; Y48-W65 HydrophobicContact CE1-CZ3 3.58Å; Y48-W65 HydrophobicContact CG-CE3 4.5Å; Y48-I66 WeakPolarHBondContact CA-O 3.48Å; Y48-D67 HydrophobicContact CD1-CB 3.8Å; Y48-D67 HydrophobicContact CE1-CB 3.64Å
49	M	97.6	Very high	94.5	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.039	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	102.7	177.6	-66.6	-61.9	-57.5	0	0	110.3	L19 F42 I44 W65 I66 P68 A94 C111	L19-M49 HydrophobicContact CD1-CE 4.42Å; L19-M49 HydrophobicContact CD2-CE 4Å; F42-M49 HydrophobicContact CZ-SD 4.34Å; I44-M49 HydrophobicContact CB-CG 4.34Å; I44-M49 HydrophobicContact CB-SD 4.44Å; I44-M49 HydrophobicContact CG2-CG 4.46Å; I44-M49 HydrophobicContact CG2-SD 4.07Å; M49-W65 WeakPolarHBondContact O-CA 3.43Å; M49-I66 HydrophobicContact CB-CG2 3.79Å; M49-I66 PolarHBondContact N-O 2.81Å; M49-I66 PolarHBondContact O-N 2.83Å; M49-I66 VanDerWaalsContact O-N 3.09Å; M49-P68 HydrophobicContact CG-CG 3.92Å; M49-A94 HydrophobicContact CB-CB 3.94Å; M49-A94 HydrophobicContact CE-CB 4.13Å; M49-A94 HydrophobicContact CG-CB 4.02Å; M49-C111 HydrophobicContact CE-CB 4.33Å
50	H	98.4	Very high	94.4	Very high	86 Å²	86	69.5 Å²	69.5	40%	0.398	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	147.1	179.2	-66.3	-101.3	0	0	0	111.9	Y48 W62 W65	Y48-H50 PolarHBondContact O-CD2 2.85Å; Y48-H50 PolarHBondContact O-N 2.84Å; H50-W62 AromaticContact ND1-NE1 3.36Å; H50-W62 PolarHBondContact ND1-NE1 2.81Å; H50-W65 AromaticContact CE1-CD1 3.83Å; H50-W65 AromaticContact CE1-CG 3.96Å
51	W	98.6	Very high	94.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.8	170.9	-71.7	86.4	0	0	0	111.2	L35 C37 I63 G64 I85 L96 Y110	L35-W51 HydrophobicContact CB-CH2 3.96Å; L35-W51 HydrophobicContact CB-CZ3 3.99Å; L35-W51 HydrophobicContact CD1-CZ3 4.26Å; C37-W51 HydrophobicContact CB-CH2 3.91Å; C37-W51 HydrophobicContact CB-CZ2 3.86Å; W51-I63 HydrophobicContact CB-CB 4.15Å; W51-I63 HydrophobicContact CB-CD1 4.25Å; W51-I63 WeakPolarHBondContact O-CB 3.39Å; W51-I63 PolarHBondContact O-N 3.48Å; W51-G64 PolarHBondContact N-O 2.8Å; W51-I85 HydrophobicContact CB-CD1 4.44Å; W51-I85 HydrophobicContact CG-CD1 4.43Å; W51-L96 HydrophobicContact CB-CD2 4.2Å; W51-L96 HydrophobicContact CD2-CB 3.47Å; W51-L96 VanDerWaalsContact CD2-CB 3.47Å; W51-L96 HydrophobicContact CD2-CD2 3.88Å; W51-L96 HydrophobicContact CD2-CG 4.22Å; W51-L96 HydrophobicContact CE3-CB 3.62Å; W51-L96 HydrophobicContact CE3-CD2 3.56Å; W51-L96 HydrophobicContact CE3-CG 4.23Å; W51-L96 HydrophobicContact CG-CB 4.05Å; W51-L96 HydrophobicContact CG-CD2 4.16Å; W51-L96 HydrophobicContact CH2-CB 3.87Å; W51-L96 HydrophobicContact CZ2-CB 3.73Å; W51-L96 HydrophobicContact CZ3-CB 3.82Å; W51-L96 HydrophobicContact CZ3-CD2 4.2Å; W51-Y110 WeakPolarHBondContact CA-O 3.18Å
52	V	98.1	Very high	94.7	Very high	34 Å²	34	71.2 Å²	71.2	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.6	-177.1	-177.4	0	0	0	0	110	L60 Y109 Y110	V52-L60 HydrophobicContact CG1-CB 3.76Å; V52-L60 HydrophobicContact CG1-CD2 3.86Å; V52-L60 HydrophobicContact CG1-CG 4.28Å; V52-Y109 CarbonylContact O-C 3.59Å; V52-Y109 WeakPolarHBondContact O-CA 3.32Å; V52-Y110 PolarHBondContact N-O 2.84Å; V52-Y110 PolarHBondContact O-N 3.09Å
53	K	96.8	Very high	95	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.2	174.6	-177.3	-175.3	178.3	-174.6	0	110.2	E61 I63 F79 E104 D105 A107 V108 Y109	K53-E61 HydrophobicContact CB-CB 4.36Å; K53-E61 PolarHBondContact N-O 2.83Å; K53-E61 PolarHBondContact O-N 2.95Å; K53-I63 HydrophobicContact CB-CD1 4.08Å; K53-I63 HydrophobicContact CB-CG1 4.22Å; K53-F79 HydrophobicContact CB-CZ 4.48Å; K53-F79 HydrophobicContact CD-CE1 4.2Å; K53-F79 HydrophobicContact CD-CZ 3.98Å; K53-E104 PolarHBondContact NZ-O 3.01Å; K53-D105 IonicContact NZ-OD1 3.68Å; K53-A107 HydrophobicContact CD-CB 4.08Å; K53-A107 HydrophobicContact CG-CB 3.43Å; K53-A107 VanDerWaalsContact CG-CB 3.43Å; K53-V108 CarbonylContact C-O 3.59Å; K53-Y109 HydrophobicContact CB-CD1 4.26Å; K53-Y109 HydrophobicContact CB-CE1 4.01Å; K53-Y109 HydrophobicContact CD-CE1 4.12Å; K53-Y109 HydrophobicContact CG-CD1 4.4Å; K53-Y109 HydrophobicContact CG-CE1 3.87Å
54	Q	96.6	Very high	95.1	Very high	69 Å²	69	65.5 Å²	65.5	32%	0.322	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120	172.4	-170.7	-177.9	26.3	0	0	110.6	L60 A107 V108 Y110	Q54-L60 HydrophobicContact CB-CD2 3.84Å; Q54-L60 HydrophobicContact CG-CD2 3.96Å; Q54-A107 WeakPolarHBondContact O-CA 3.24Å; Q54-A107 VanDerWaalsContact O-CB 3.28Å; Q54-A107 WeakPolarHBondContact O-CB 3.36Å; Q54-V108 PolarHBondContact N-O 2.86Å; Q54-V108 PolarHBondContact O-N 3.44Å; Q54-Y110 HydrophobicContact CB-CD2 4.4Å; Q54-Y110 HydrophobicContact CB-CE2 3.75Å; Q54-Y110 VanDerWaalsContact OE1-CE2 3.23Å; Q54-Y110 PolarHBondContact OE1-OH 2.9Å
55	R	93.3	Very high	95.2	Very high	45 Å²	45	67.8 Å²	67.8	17%	0.17	34%	0.342	C	S	.	.			trans	-90.9	151.3	170.5	-68.3	-170.1	-88.3	177.3	-10	110.4	E57 Q58 E61 A107	R55-E57 PolarHBondContact O-N 2.01Å; R55-Q58 HydrophobicContact CB-CB 4.02Å; R55-Q58 HydrophobicContact CB-CG 4.06Å; R55-Q58 VanDerWaalsContact NE-CD 3.32Å; R55-Q58 VanDerWaalsContact NH1-NE2 3.18Å; R55-Q58 PolarHBondContact O-N 2.78Å; R55-Q58 VanDerWaalsContact O-N 3.09Å; R55-Q58 VanDerWaalsContact O-O 3.13Å; R55-E61 IonicContact CZ-OE1 2.8Å; R55-E61 IonicContact NE-OE1 3.61Å; R55-E61 PolarHBondContact NE-OE1 2.67Å; R55-E61 IonicContact NH2-OE1 3.64Å; R55-E61 PolarHBondContact NH2-OE1 2.86Å; R55-A107 HydrophobicContact CG-CB 3.99Å
56	P	87.2	Confident	95.3	Very high	128 Å²	128	64.1 Å²	64.1	83%	0.831	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-29.3	-176.6	-29.8	35.9	0	0	0	115.5
57	E	85.3	Confident	95.4	Very high	190 Å²	190	58.7 Å²	58.7	89%	0.888	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	11.9	-177	-60	-176.2	169.8	0	0	113.1	R55	R55-E57 PolarHBondContact O-N 2.01Å
58	Q	86.4	Confident	95.6	Very high	91 Å²	91	54.8 Å²	54.8	43%	0.425	28%	0.277	S	S	.	.	S	Bend	trans	-128.5	162.4	-178.3	-49.2	-166.4	6.2	0	0	111.8	R55	R55-Q58 HydrophobicContact CB-CB 4.02Å; R55-Q58 HydrophobicContact CB-CG 4.06Å; R55-Q58 VanDerWaalsContact NE-CD 3.32Å; R55-Q58 VanDerWaalsContact NH1-NE2 3.18Å; R55-Q58 PolarHBondContact O-N 2.78Å; R55-Q58 VanDerWaalsContact O-N 3.09Å; R55-Q58 VanDerWaalsContact O-O 3.13Å
59	G	89.5	Confident	95.6	Very high	55 Å²	55	55.6 Å²	55.6	57%	0.567	29%	0.285	S	S	*	.			trans	-65.2	-179.6	175.2	0	0	0	0	0	113.1
60	L	95.8	Very high	95.6	Very high	119 Å²	119	59.5 Å²	59.5	62%	0.623	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.3	171.2	-63.3	175.5	0	0	0	109.6	V52 Q54	V52-L60 HydrophobicContact CG1-CB 3.76Å; V52-L60 HydrophobicContact CG1-CD2 3.86Å; V52-L60 HydrophobicContact CG1-CG 4.28Å; Q54-L60 HydrophobicContact CB-CD2 3.84Å; Q54-L60 HydrophobicContact CG-CD2 3.96Å
61	E	96.7	Very high	95.5	Very high	36 Å²	36	57.4 Å²	57.4	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.3	173.2	-60.1	-174.2	-121.4	0	0	108.3	K53 R55 K78	K53-E61 HydrophobicContact CB-CB 4.36Å; K53-E61 PolarHBondContact N-O 2.83Å; K53-E61 PolarHBondContact O-N 2.95Å; R55-E61 IonicContact CZ-OE1 2.8Å; R55-E61 IonicContact NE-OE1 3.61Å; R55-E61 PolarHBondContact NE-OE1 2.67Å; R55-E61 IonicContact NH2-OE1 3.64Å; R55-E61 PolarHBondContact NH2-OE1 2.86Å; E61-K78 IonicContact OE1-NZ 3.27Å; E61-K78 IonicContact OE2-NZ 3.05Å; E61-K78 PolarHBondContact OE2-NZ 3.46Å
62	W	97.8	Very high	95.5	Very high	89 Å²	89	62.2 Å²	62.2	34%	0.337	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.7	175.4	179.4	69.8	0	0	0	110.5	H50 G64 W65 E74 A76	H50-W62 AromaticContact ND1-NE1 3.36Å; H50-W62 PolarHBondContact ND1-NE1 2.81Å; W62-G64 VanDerWaalsContact CE2-CA 3.49Å; W62-G64 PolarHBondContact NE1-O 3.42Å; W62-G64 VanDerWaalsContact NE1-O 3.08Å; W62-W65 AromaticContact CH2-CD1 3.95Å; W62-W65 HydrophobicContact CZ2-CB 4.22Å; W62-W65 AromaticContact CZ2-CD1 3.34Å; W62-W65 HydrophobicContact CZ2-CG 4.04Å; W62-E74 HydrophobicContact CH2-CB 4.23Å; W62-E74 HydrophobicContact CH2-CG 4.13Å; W62-A76 HydrophobicContact CE3-CB 3.8Å; W62-A76 HydrophobicContact CZ3-CB 3.98Å; W62-A76 VanDerWaalsContact O-CB 3.27Å; W62-A76 WeakPolarHBondContact O-CB 3.28Å
63	I	98.4	Very high	95.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-51.2	-177.9	-61.2	175.3	0	0	0	110.5	W51 K53 Y75 A76 F79 A83 L96 Y109	W51-I63 HydrophobicContact CB-CB 4.15Å; W51-I63 HydrophobicContact CB-CD1 4.25Å; W51-I63 WeakPolarHBondContact O-CB 3.39Å; W51-I63 PolarHBondContact O-N 3.48Å; K53-I63 HydrophobicContact CB-CD1 4.08Å; K53-I63 HydrophobicContact CB-CG1 4.22Å; I63-Y75 WeakPolarHBondContact O-CA 3.34Å; I63-A76 PolarHBondContact O-N 3.45Å; I63-F79 HydrophobicContact CB-CD2 4.19Å; I63-F79 HydrophobicContact CB-CE2 4.4Å; I63-F79 HydrophobicContact CB-CG 4.34Å; I63-F79 HydrophobicContact CG1-CD1 4.34Å; I63-F79 HydrophobicContact CG1-CD2 4.14Å; I63-F79 HydrophobicContact CG1-CE1 4.12Å; I63-F79 HydrophobicContact CG1-CE2 3.89Å; I63-F79 HydrophobicContact CG1-CG 4.35Å; I63-F79 HydrophobicContact CG1-CZ 3.89Å; I63-F79 HydrophobicContact CG2-CB 3.97Å; I63-F79 HydrophobicContact CG2-CD1 4.2Å; I63-F79 HydrophobicContact CG2-CD2 4.2Å; I63-F79 HydrophobicContact CG2-CG 3.87Å; I63-A83 HydrophobicContact CG2-CB 3.79Å; I63-L96 HydrophobicContact CD1-CD2 3.68Å; I63-L96 HydrophobicContact CG2-CD1 4.19Å; I63-Y109 HydrophobicContact CD1-CD1 3.67Å; I63-Y109 HydrophobicContact CD1-CE1 3.72Å
64	G	98.5	Very high	95.6	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	175.7	-168.5	0	0	0	0	0	112.1	W51 W62 E74 I85	W51-G64 PolarHBondContact N-O 2.8Å; W62-G64 VanDerWaalsContact CE2-CA 3.49Å; W62-G64 PolarHBondContact NE1-O 3.42Å; W62-G64 VanDerWaalsContact NE1-O 3.08Å; G64-E74 CarbonylContact C-O 3.55Å; G64-E74 WeakPolarHBondContact CA-O 3.48Å; G64-I85 VanDerWaalsContact C-CD1 3.49Å
65	W	98.6	Very high	95.7	Very high	49 Å²	49	67.2 Å²	67.2	19%	0.186	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.7	170.7	62.1	-110.4	0	0	0	110.1	Y48 M49 H50 W62 D67 D72 T73 E74	Y48-W65 HydrophobicContact CD1-CD2 4.06Å; Y48-W65 AromaticContact CD1-CE3 3.45Å; Y48-W65 HydrophobicContact CD1-CE3 3.45Å; Y48-W65 VanDerWaalsContact CD1-CE3 3.45Å; Y48-W65 HydrophobicContact CD1-CH2 4.33Å; Y48-W65 AromaticContact CD1-CZ3 3.61Å; Y48-W65 HydrophobicContact CD1-CZ3 3.61Å; Y48-W65 AromaticContact CE1-CE3 3.92Å; Y48-W65 HydrophobicContact CE1-CE3 3.92Å; Y48-W65 AromaticContact CE1-CH2 3.95Å; Y48-W65 HydrophobicContact CE1-CH2 3.95Å; Y48-W65 AromaticContact CE1-CZ3 3.58Å; Y48-W65 HydrophobicContact CE1-CZ3 3.58Å; Y48-W65 HydrophobicContact CG-CE3 4.5Å; M49-W65 WeakPolarHBondContact O-CA 3.43Å; H50-W65 AromaticContact CE1-CD1 3.83Å; H50-W65 AromaticContact CE1-CG 3.96Å; W62-W65 AromaticContact CH2-CD1 3.95Å; W62-W65 HydrophobicContact CZ2-CB 4.22Å; W62-W65 AromaticContact CZ2-CD1 3.34Å; W62-W65 HydrophobicContact CZ2-CG 4.04Å; W65-D67 HydrophobicContact CE3-CB 4.43Å; W65-D67 HydrophobicContact CZ3-CB 3.79Å; W65-D72 HydrophobicContact CH2-CB 4.39Å; W65-D72 HydrophobicContact CZ3-CB 4.32Å; W65-D72 WeakPolarHBondContact CZ3-O 3.29Å; W65-T73 VanDerWaalsContact O-CA 3.31Å; W65-T73 WeakPolarHBondContact O-CA 3.5Å; W65-E74 HydrophobicContact CD2-CB 4.13Å; W65-E74 VanDerWaalsContact CE2-CB 3.45Å; W65-E74 HydrophobicContact CG-CB 4.4Å; W65-E74 HydrophobicContact CZ2-CB 3.74Å; W65-E74 PolarHBondContact N-O 3.44Å; W65-E74 VanDerWaalsContact NE1-CB 3.32Å; W65-E74 PolarHBondContact NE1-OE2 2.6Å; W65-E74 PolarHBondContact O-N 3.35Å
66	I	98.7	Very high	95.9	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.6	164.7	-175.2	164.9	0	0	0	109.3	Y48 M49 P68 D72 T73 I85 A87	Y48-I66 WeakPolarHBondContact CA-O 3.48Å; M49-I66 HydrophobicContact CB-CG2 3.79Å; M49-I66 PolarHBondContact N-O 2.81Å; M49-I66 PolarHBondContact O-N 2.83Å; M49-I66 VanDerWaalsContact O-N 3.09Å; I66-P68 HydrophobicContact CG2-CG 4.44Å; I66-P68 WeakPolarHBondContact O-CD 2.96Å; I66-D72 CarbonylContact C-O 3.57Å; I66-D72 VanDerWaalsContact CA-O 3.32Å; I66-D72 WeakPolarHBondContact CA-O 3.34Å; I66-T73 HydrophobicContact CB-CG2 3.91Å; I66-T73 HydrophobicContact CD1-CG2 3.95Å; I66-T73 HydrophobicContact CG1-CG2 3.77Å; I66-I85 HydrophobicContact CB-CB 4.47Å; I66-I85 HydrophobicContact CB-CG2 3.62Å; I66-I85 HydrophobicContact CG2-CG2 3.45Å; I66-I85 VanDerWaalsContact CG2-CG2 3.45Å; I66-A87 HydrophobicContact CD1-CB 3.94Å; I66-A87 HydrophobicContact CG2-CB 4.43Å
67	D	98.4	Very high	96.4	Very high	16 Å²	16	64.9 Å²	64.9	9%	0.086	35%	0.352	C	S	.	.			trans	-88.8	106.9	162.7	-179.2	-18.9	0	0	0	107.5	Y48 W65 E69 N70 G71 D72	Y48-D67 HydrophobicContact CD1-CB 3.8Å; Y48-D67 HydrophobicContact CE1-CB 3.64Å; W65-D67 HydrophobicContact CE3-CB 4.43Å; W65-D67 HydrophobicContact CZ3-CB 3.79Å; D67-E69 PolarHBondContact O-N 3.26Å; D67-E69 WeakPolarHBondContact OD1-CA 3.49Å; D67-E69 WeakPolarHBondContact OD1-CB 3.36Å; D67-E69 PolarHBondContact OD1-N 2.83Å; D67-N70 WeakPolarHBondContact CB-OD1 3.38Å; D67-N70 PolarHBondContact OD2-ND2 3.47Å; D67-N70 PolarHBondContact OD2-OD1 3.5Å; D67-G71 VanDerWaalsContact O-CA 3.23Å; D67-G71 WeakPolarHBondContact O-CA 3.47Å; D67-G71 PolarHBondContact O-N 3.01Å; D67-D72 HydrophobicContact CB-CB 4.5Å; D67-D72 PolarHBondContact N-O 3.34Å
68	P	98.2	Very high	96.9	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.071	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	-178.1	-21.5	38.1	0	0	0	113.4	I44 D47 M49 I66 A87 T89	I44-P68 HydrophobicContact CB-CB 4.36Å; I44-P68 HydrophobicContact CB-CG 4.13Å; I44-P68 HydrophobicContact CD1-CB 4Å; I44-P68 HydrophobicContact CD1-CG 4.24Å; I44-P68 HydrophobicContact CG1-CB 3.91Å; I44-P68 HydrophobicContact CG1-CG 4.19Å; I44-P68 WeakPolarHBondContact O-CD 3.5Å; I44-P68 WeakPolarHBondContact O-CG 3.22Å; D47-P68 WeakPolarHBondContact O-CD 3.18Å; M49-P68 HydrophobicContact CG-CG 3.92Å; I66-P68 HydrophobicContact CG2-CG 4.44Å; I66-P68 WeakPolarHBondContact O-CD 2.96Å; P68-A87 HydrophobicContact CB-CB 3.87Å; P68-A87 HydrophobicContact CG-CB 4.17Å; P68-T89 HydrophobicContact CB-CG2 3.96Å; P68-T89 VanDerWaalsContact O-CG2 3.27Å; P68-T89 WeakPolarHBondContact O-CG2 3.4Å
69	E	97.8	Very high	97.4	Very high	134 Å²	134	57 Å²	57	63%	0.626	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-46.8	177.4	-171.5	177.8	-162.8	0	0	111.6	D67	D67-E69 PolarHBondContact O-N 3.26Å; D67-E69 WeakPolarHBondContact OD1-CA 3.49Å; D67-E69 WeakPolarHBondContact OD1-CB 3.36Å; D67-E69 PolarHBondContact OD1-N 2.83Å
70	N	97.7	Very high	97.7	Very high	89 Å²	89	60.5 Å²	60.5	48%	0.476	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-13.1	-174	57.3	37.9	0	0	0	114	D67 D72	D67-N70 WeakPolarHBondContact CB-OD1 3.38Å; D67-N70 PolarHBondContact OD2-ND2 3.47Å; D67-N70 PolarHBondContact OD2-OD1 3.5Å; N70-D72 VanDerWaalsContact OD1-CB 3.24Å; N70-D72 WeakPolarHBondContact OD1-CB 3.41Å; N70-D72 PolarHBondContact OD1-N 3.2Å
71	G	97.8	Very high	97.7	Very high	43 Å²	43	58.7 Å²	58.7	44%	0.443	33%	0.325	S	S	.	.			trans	84	8.1	-179.5	0	0	0	0	0	114.7	D67	D67-G71 VanDerWaalsContact O-CA 3.23Å; D67-G71 WeakPolarHBondContact O-CA 3.47Å; D67-G71 PolarHBondContact O-N 3.01Å
72	D	98.4	Very high	97.7	Very high	101 Å²	101	59.1 Å²	59.1	54%	0.54	33%	0.326	S	S	.	.			trans	-65.5	143.2	176.5	-76	-12.4	0	0	0	110.6	W65 I66 D67 N70	W65-D72 HydrophobicContact CH2-CB 4.39Å; W65-D72 HydrophobicContact CZ3-CB 4.32Å; W65-D72 WeakPolarHBondContact CZ3-O 3.29Å; I66-D72 CarbonylContact C-O 3.57Å; I66-D72 VanDerWaalsContact CA-O 3.32Å; I66-D72 WeakPolarHBondContact CA-O 3.34Å; D67-D72 HydrophobicContact CB-CB 4.5Å; D67-D72 PolarHBondContact N-O 3.34Å; N70-D72 VanDerWaalsContact OD1-CB 3.24Å; N70-D72 WeakPolarHBondContact OD1-CB 3.41Å; N70-D72 PolarHBondContact OD1-N 3.2Å
73	T	98.6	Very high	97.8	Very high	58 Å²	58	55.1 Å²	55.1	36%	0.356	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.7	-177.8	58.7	0	0	0	0	111.2	W65 I66 Y75	W65-T73 VanDerWaalsContact O-CA 3.31Å; W65-T73 WeakPolarHBondContact O-CA 3.5Å; I66-T73 HydrophobicContact CB-CG2 3.91Å; I66-T73 HydrophobicContact CD1-CG2 3.95Å; I66-T73 HydrophobicContact CG1-CG2 3.77Å; T73-Y75 VanDerWaalsContact OG1-CE2 3.29Å; T73-Y75 WeakPolarHBondContact OG1-CE2 3.31Å
74	E	98.4	Very high	97.8	Very high	104 Å²	104	58.3 Å²	58.3	49%	0.486	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.7	167.9	-164.7	179.8	173.1	0	0	109.6	W62 G64 W65	W62-E74 HydrophobicContact CH2-CB 4.23Å; W62-E74 HydrophobicContact CH2-CG 4.13Å; G64-E74 CarbonylContact C-O 3.55Å; G64-E74 WeakPolarHBondContact CA-O 3.48Å; W65-E74 HydrophobicContact CD2-CB 4.13Å; W65-E74 VanDerWaalsContact CE2-CB 3.45Å; W65-E74 HydrophobicContact CG-CB 4.4Å; W65-E74 HydrophobicContact CZ2-CB 3.74Å; W65-E74 PolarHBondContact N-O 3.44Å; W65-E74 VanDerWaalsContact NE1-CB 3.32Å; W65-E74 PolarHBondContact NE1-OE2 2.6Å; W65-E74 PolarHBondContact O-N 3.35Å
75	Y	98.6	Very high	97.8	Very high	47 Å²	47	58.6 Å²	58.6	18%	0.184	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.4	-179.7	-59.7	-91.3	0	0	0	110.4	I63 T73 A83 I85	I63-Y75 WeakPolarHBondContact O-CA 3.34Å; T73-Y75 VanDerWaalsContact OG1-CE2 3.29Å; T73-Y75 WeakPolarHBondContact OG1-CE2 3.31Å; Y75-A83 HydrophobicContact CD1-CB 4.14Å; Y75-A83 HydrophobicContact CE1-CB 4.15Å; Y75-I85 HydrophobicContact CD1-CD1 4.29Å; Y75-I85 HydrophobicContact CE1-CB 4.32Å; Y75-I85 HydrophobicContact CE1-CD1 3.89Å; Y75-I85 HydrophobicContact CE1-CG1 3.87Å; Y75-I85 PolarHBondContact OH-N 3.33Å
76	A	98.1	Very high	97.8	Very high	23 Å²	23	59 Å²	59	19%	0.19	34%	0.341	C	S	.	.			trans	-61.6	141.5	162.9	0	0	0	0	0	109.8	W62 I63 K78 F79 Q80	W62-A76 HydrophobicContact CE3-CB 3.8Å; W62-A76 HydrophobicContact CZ3-CB 3.98Å; W62-A76 VanDerWaalsContact O-CB 3.27Å; W62-A76 WeakPolarHBondContact O-CB 3.28Å; I63-A76 PolarHBondContact O-N 3.45Å; A76-K78 PolarHBondContact O-N 2.8Å; A76-F79 HydrophobicContact CB-CD2 4.18Å; A76-F79 PolarHBondContact O-N 2.93Å; A76-Q80 PolarHBondContact O-N 2.95Å
77	S	97.5	Very high	97.8	Very high	102 Å²	102	60.4 Å²	60.4	71%	0.713	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-51.4	-36.8	-175.6	55.4	0	0	0	0	113.7	F79 Q80	S77-F79 PolarHBondContact O-N 2.91Å; S77-Q80 PolarHBondContact O-N 3.43Å
78	K	95.1	Very high	97.8	Very high	110 Å²	110	62.5 Å²	62.5	48%	0.478	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25.7	178	-175.1	176.9	177.6	-177.9	0	114.1	E61 A76	E61-K78 IonicContact OE1-NZ 3.27Å; E61-K78 IonicContact OE2-NZ 3.05Å; E61-K78 PolarHBondContact OE2-NZ 3.46Å; A76-K78 PolarHBondContact O-N 2.8Å
79	F	96.9	Very high	97.7	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.018	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-106.9	-3.9	-176.2	-63.5	-80	0	0	0	113.3	K53 I63 A76 S77 G81 K82 A83	K53-F79 HydrophobicContact CB-CZ 4.48Å; K53-F79 HydrophobicContact CD-CE1 4.2Å; K53-F79 HydrophobicContact CD-CZ 3.98Å; I63-F79 HydrophobicContact CB-CD2 4.19Å; I63-F79 HydrophobicContact CB-CE2 4.4Å; I63-F79 HydrophobicContact CB-CG 4.34Å; I63-F79 HydrophobicContact CG1-CD1 4.34Å; I63-F79 HydrophobicContact CG1-CD2 4.14Å; I63-F79 HydrophobicContact CG1-CE1 4.12Å; I63-F79 HydrophobicContact CG1-CE2 3.89Å; I63-F79 HydrophobicContact CG1-CG 4.35Å; I63-F79 HydrophobicContact CG1-CZ 3.89Å; I63-F79 HydrophobicContact CG2-CB 3.97Å; I63-F79 HydrophobicContact CG2-CD1 4.2Å; I63-F79 HydrophobicContact CG2-CD2 4.2Å; I63-F79 HydrophobicContact CG2-CG 3.87Å; A76-F79 HydrophobicContact CB-CD2 4.18Å; A76-F79 PolarHBondContact O-N 2.93Å; S77-F79 PolarHBondContact O-N 2.91Å; F79-G81 PolarHBondContact O-N 3.05Å; F79-K82 PolarHBondContact O-N 2.77Å; F79-A83 HydrophobicContact CB-CB 3.97Å; F79-A83 PolarHBondContact O-N 2.89Å
80	Q	96.3	Very high	97.7	Very high	130 Å²	130	63.6 Å²	63.6	61%	0.607	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	130.2	173.4	-72.5	-176.8	-6.9	0	0	110.7	A76 S77 K82	A76-Q80 PolarHBondContact O-N 2.95Å; S77-Q80 PolarHBondContact O-N 3.43Å; Q80-K82 PolarHBondContact O-N 2.96Å
81	G	95.7	Very high	97.7	Very high	80 Å²	80	61.6 Å²	61.6	83%	0.825	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-9.5	-176.4	0	0	0	0	0	115.2	F79	F79-G81 PolarHBondContact O-N 3.05Å
82	K	97.2	Very high	97.7	Very high	45 Å²	45	61 Å²	61	20%	0.196	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-38.5	176.5	-169.2	172.5	-167.7	172	0	113	F79 Q80 L98 S99 D105	F79-K82 PolarHBondContact O-N 2.77Å; Q80-K82 PolarHBondContact O-N 2.96Å; K82-L98 WeakPolarHBondContact O-CA 3.42Å; K82-S99 WeakPolarHBondContact CG-O 3.32Å; K82-S99 PolarHBondContact O-N 3.18Å; K82-S99 PolarHBondContact O-OG 3.3Å; K82-D105 WeakPolarHBondContact CE-OD1 3.4Å; K82-D105 WeakPolarHBondContact CE-OD2 3.48Å; K82-D105 IonicContact NZ-OD1 2.57Å; K82-D105 PolarHBondContact NZ-OD1 2.94Å; K82-D105 IonicContact NZ-OD2 2.67Å; K82-D105 PolarHBondContact NZ-OD2 3.49Å
83	A	98.4	Very high	97.7	Very high	5 Å²	5	56.5 Å²	56.5	4%	0.041	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.1	177.8	0	0	0	0	0	111.1	I63 Y75 F79 L96 Q97 L98	I63-A83 HydrophobicContact CG2-CB 3.79Å; Y75-A83 HydrophobicContact CD1-CB 4.14Å; Y75-A83 HydrophobicContact CE1-CB 4.15Å; F79-A83 HydrophobicContact CB-CB 3.97Å; F79-A83 PolarHBondContact O-N 2.89Å; A83-L96 HydrophobicContact CB-CD1 3.92Å; A83-Q97 CarbonylContact C-O 3.6Å; A83-Q97 WeakPolarHBondContact CA-O 3.48Å; A83-L98 HydrophobicContact CB-CD2 3.89Å
84	T	98.6	Very high	97.7	Very high	68 Å²	68	53.8 Å²	53.8	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	117.3	167.7	-55.8	0	0	0	0	107.7	T86 Q97	T84-T86 HydrophobicContact CG2-CG2 4.3Å; T84-Q97 PolarHBondContact N-O 2.84Å; T84-Q97 PolarHBondContact O-N 3.46Å
85	I	98.7	Very high	97.7	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.3	177.6	-58.4	164.4	0	0	0	108.1	W51 G64 I66 Y75 Y95 L96	W51-I85 HydrophobicContact CB-CD1 4.44Å; W51-I85 HydrophobicContact CG-CD1 4.43Å; G64-I85 VanDerWaalsContact C-CD1 3.49Å; I66-I85 HydrophobicContact CB-CB 4.47Å; I66-I85 HydrophobicContact CB-CG2 3.62Å; I66-I85 HydrophobicContact CG2-CG2 3.45Å; I66-I85 VanDerWaalsContact CG2-CG2 3.45Å; Y75-I85 HydrophobicContact CD1-CD1 4.29Å; Y75-I85 HydrophobicContact CE1-CB 4.32Å; Y75-I85 HydrophobicContact CE1-CD1 3.89Å; Y75-I85 HydrophobicContact CE1-CG1 3.87Å; Y75-I85 PolarHBondContact OH-N 3.33Å; I85-Y95 VanDerWaalsContact CA-O 3.31Å; I85-Y95 WeakPolarHBondContact CA-O 3.46Å; I85-L96 HydrophobicContact CG1-CD1 3.85Å
86	T	98.6	Very high	97.7	Very high	58 Å²	58	49.1 Å²	49.1	36%	0.356	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.7	177.3	54.2	0	0	0	0	109.9	T84 A94 Y95	T84-T86 HydrophobicContact CG2-CG2 4.3Å; T86-A94 CarbonylContact O-C 3.52Å; T86-A94 WeakPolarHBondContact O-CA 3.27Å; T86-Y95 PolarHBondContact N-O 3.41Å; T86-Y95 PolarHBondContact O-N 3.24Å
87	A	98.6	Very high	97.8	Very high	36 Å²	36	52 Å²	52	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.8	176.1	0	0	0	0	0	110.9	I44 I66 P68 T93	I44-A87 HydrophobicContact CD1-CB 4.09Å; I66-A87 HydrophobicContact CD1-CB 3.94Å; I66-A87 HydrophobicContact CG2-CB 4.43Å; P68-A87 HydrophobicContact CB-CB 3.87Å; P68-A87 HydrophobicContact CG-CB 4.17Å; A87-T93 WeakPolarHBondContact CA-O 3.29Å
88	D	98.3	Very high	97.8	Very high	60 Å²	60	47.2 Å²	47.2	32%	0.321	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	103.2	166.2	-177.7	-8.5	0	0	0	108.1	S90 S91 N92 T93 Y95	D88-S90 PolarHBondContact O-N 3.39Å; D88-S90 WeakPolarHBondContact OD1-CA 3.42Å; D88-S90 WeakPolarHBondContact OD1-CB 3.37Å; D88-S90 PolarHBondContact OD1-N 2.85Å; D88-S90 PolarHBondContact OD1-OG 3.22Å; D88-S91 PolarHBondContact O-N 2.9Å; D88-S91 PolarHBondContact OD1-N 2.84Å; D88-S91 PolarHBondContact OD2-OG 2.78Å; D88-N92 PolarHBondContact O-N 2.89Å; D88-T93 PolarHBondContact N-O 3.43Å; D88-T93 PolarHBondContact O-N 3.26Å; D88-Y95 HydrophobicContact CB-CE2 4.06Å
89	T	97.6	Very high	97.9	Very high	60 Å²	60	43.5 Å²	43.5	37%	0.368	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.8	-178.3	56.8	0	0	0	0	112.5	I44 K45 P68	I44-T89 HydrophobicContact CD1-CG2 4.41Å; I44-T89 HydrophobicContact CG1-CG2 4.39Å; K45-T89 HydrophobicContact CD-CG2 3.93Å; K45-T89 HydrophobicContact CG-CG2 3.4Å; K45-T89 VanDerWaalsContact CG-CG2 3.4Å; P68-T89 HydrophobicContact CB-CG2 3.96Å; P68-T89 VanDerWaalsContact O-CG2 3.27Å; P68-T89 WeakPolarHBondContact O-CG2 3.4Å
90	S	97.3	Very high	98	Very high	108 Å²	108	47.1 Å²	47.1	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-33.5	175.9	76.5	0	0	0	0	112	D88	D88-S90 PolarHBondContact O-N 3.39Å; D88-S90 WeakPolarHBondContact OD1-CA 3.42Å; D88-S90 WeakPolarHBondContact OD1-CB 3.37Å; D88-S90 PolarHBondContact OD1-N 2.85Å; D88-S90 PolarHBondContact OD1-OG 3.22Å
91	S	97.8	Very high	98	Very high	47 Å²	47	41.5 Å²	41.5	33%	0.329	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	4.7	175.5	76.5	0	0	0	0	113.4	D88 T93	D88-S91 PolarHBondContact O-N 2.9Å; D88-S91 PolarHBondContact OD1-N 2.84Å; D88-S91 PolarHBondContact OD2-OG 2.78Å; S91-T93 PolarHBondContact O-N 3.06Å; S91-T93 PolarHBondContact O-OG1 2.88Å; S91-T93 VanDerWaalsContact OG-CB 3.29Å; S91-T93 WeakPolarHBondContact OG-CB 3.02Å; S91-T93 PolarHBondContact OG-OG1 2.8Å
92	N	97.6	Very high	98	Very high	29 Å²	29	40.7 Å²	40.7	16%	0.155	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	38.2	-177	-146.9	39.7	0	0	0	112.9	A39 F42 N43 I44 D88	A39-N92 VanDerWaalsContact C-ND2 3.35Å; A39-N92 WeakPolarHBondContact CB-ND2 3.46Å; A39-N92 PolarHBondContact N-O 2.9Å; A39-N92 PolarHBondContact O-ND2 2.9Å; F42-N92 PolarHBondContact O-ND2 3.48Å; N43-N92 WeakPolarHBondContact CA-OD1 3.45Å; I44-N92 WeakPolarHBondContact CG2-OD1 3.29Å; I44-N92 PolarHBondContact N-OD1 2.93Å; D88-N92 PolarHBondContact O-N 2.89Å
93	T	98.5	Very high	97.9	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.049	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.5	-171	-50.3	0	0	0	0	112.1	C37 T38 A87 D88 S91 Y95	C37-T93 CarbonylContact O-C 3.45Å; C37-T93 VanDerWaalsContact O-CA 3.28Å; C37-T93 WeakPolarHBondContact O-CA 3.27Å; C37-T93 WeakPolarHBondContact O-CG2 3.49Å; T38-T93 PolarHBondContact OG1-OG1 2.79Å; A87-T93 WeakPolarHBondContact CA-O 3.29Å; D88-T93 PolarHBondContact N-O 3.43Å; D88-T93 PolarHBondContact O-N 3.26Å; S91-T93 PolarHBondContact O-N 3.06Å; S91-T93 PolarHBondContact O-OG1 2.88Å; S91-T93 VanDerWaalsContact OG-CB 3.29Å; S91-T93 WeakPolarHBondContact OG-CB 3.02Å; S91-T93 PolarHBondContact OG-OG1 2.8Å; T93-Y95 HydrophobicContact CG2-CD1 4.28Å; T93-Y95 HydrophobicContact CG2-CD2 4.45Å; T93-Y95 HydrophobicContact CG2-CE1 3.67Å; T93-Y95 HydrophobicContact CG2-CE2 3.86Å; T93-Y95 VanDerWaalsContact CG2-CZ 3.42Å
94	A	98.6	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	151.1	166.2	0	0	0	0	0	110.7	S36 C37 M49 T86	S36-A94 CarbonylContact C-O 3.52Å; S36-A94 WeakPolarHBondContact CA-O 3.42Å; C37-A94 HydrophobicContact CB-CB 4.5Å; C37-A94 PolarHBondContact N-O 2.96Å; C37-A94 PolarHBondContact O-N 2.92Å; M49-A94 HydrophobicContact CB-CB 3.94Å; M49-A94 HydrophobicContact CE-CB 4.13Å; M49-A94 HydrophobicContact CG-CB 4.02Å; T86-A94 CarbonylContact O-C 3.52Å; T86-A94 WeakPolarHBondContact O-CA 3.27Å
95	Y	98.7	Very high	97.5	Very high	54 Å²	54	46 Å²	46	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.4	179.3	-56.2	-86.1	0	0	0	111.4	K34 L35 I85 T86 D88 T93	K34-Y95 HydrophobicContact CD-CD1 4.43Å; K34-Y95 VanDerWaalsContact CE-CB 3.47Å; K34-Y95 VanDerWaalsContact CE-CD1 3.44Å; K34-Y95 VanDerWaalsContact CE-CG 3.4Å; K34-Y95 HydrophobicContact CG-CD1 4.39Å; L35-Y95 VanDerWaalsContact O-CA 3.22Å; L35-Y95 WeakPolarHBondContact O-CA 3.44Å; I85-Y95 VanDerWaalsContact CA-O 3.31Å; I85-Y95 WeakPolarHBondContact CA-O 3.46Å; T86-Y95 PolarHBondContact N-O 3.41Å; T86-Y95 PolarHBondContact O-N 3.24Å; D88-Y95 HydrophobicContact CB-CE2 4.06Å; T93-Y95 HydrophobicContact CG2-CD1 4.28Å; T93-Y95 HydrophobicContact CG2-CD2 4.45Å; T93-Y95 HydrophobicContact CG2-CE1 3.67Å; T93-Y95 HydrophobicContact CG2-CE2 3.86Å; T93-Y95 VanDerWaalsContact CG2-CZ 3.42Å
96	L	98.7	Very high	97.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.7	167.6	170.7	66.4	0	0	0	108.7	K34 L35 W51 I63 A83 I85 L98 Y109	K34-L96 WeakPolarHBondContact CA-O 3.11Å; L35-L96 HydrophobicContact CD1-CD2 4.38Å; L35-L96 PolarHBondContact N-O 3.33Å; L35-L96 PolarHBondContact O-N 3.17Å; W51-L96 HydrophobicContact CB-CD2 4.2Å; W51-L96 HydrophobicContact CD2-CB 3.47Å; W51-L96 VanDerWaalsContact CD2-CB 3.47Å; W51-L96 HydrophobicContact CD2-CD2 3.88Å; W51-L96 HydrophobicContact CD2-CG 4.22Å; W51-L96 HydrophobicContact CE3-CB 3.62Å; W51-L96 HydrophobicContact CE3-CD2 3.56Å; W51-L96 HydrophobicContact CE3-CG 4.23Å; W51-L96 HydrophobicContact CG-CB 4.05Å; W51-L96 HydrophobicContact CG-CD2 4.16Å; W51-L96 HydrophobicContact CH2-CB 3.87Å; W51-L96 HydrophobicContact CZ2-CB 3.73Å; W51-L96 HydrophobicContact CZ3-CB 3.82Å; W51-L96 HydrophobicContact CZ3-CD2 4.2Å; I63-L96 HydrophobicContact CD1-CD2 3.68Å; I63-L96 HydrophobicContact CG2-CD1 4.19Å; A83-L96 HydrophobicContact CB-CD1 3.92Å; I85-L96 HydrophobicContact CG1-CD1 3.85Å; L96-L98 HydrophobicContact CD1-CD2 4.07Å; L96-L98 HydrophobicContact CD1-CG 4.38Å; L96-L98 HydrophobicContact CD2-CD1 4.3Å; L96-L98 HydrophobicContact CD2-CD2 4.36Å; L96-L98 HydrophobicContact CD2-CG 4.27Å; L96-L98 HydrophobicContact CG-CD2 4.29Å; L96-L98 HydrophobicContact CG-CG 4.11Å; L96-Y109 HydrophobicContact CD2-CD1 3.89Å; L96-Y109 HydrophobicContact CD2-CE1 4.4Å
97	Q	98.6	Very high	97.2	Very high	84 Å²	84	49.4 Å²	49.4	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130	168.4	-177.2	170	-30.6	0	0	109.7	V33 K34 A83 T84	V33-Q97 CarbonylContact O-C 3.5Å; V33-Q97 VanDerWaalsContact O-CA 3.32Å; V33-Q97 WeakPolarHBondContact O-CA 3.3Å; K34-Q97 HydrophobicContact CG-CB 4.42Å; A83-Q97 CarbonylContact C-O 3.6Å; A83-Q97 WeakPolarHBondContact CA-O 3.48Å; T84-Q97 PolarHBondContact N-O 2.84Å; T84-Q97 PolarHBondContact O-N 3.46Å
98	L	98.3	Very high	97.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.9	172.7	-61.1	165.8	0	0	0	108.8	S32 V33 K82 A83 L96 L101 Y109	S32-L98 CarbonylContact C-O 3.55Å; S32-L98 WeakPolarHBondContact CA-O 3.45Å; S32-L98 VanDerWaalsContact CB-O 3.3Å; S32-L98 WeakPolarHBondContact CB-O 3.19Å; V33-L98 HydrophobicContact CG1-CB 4.17Å; V33-L98 HydrophobicContact CG1-CD1 4.34Å; V33-L98 PolarHBondContact N-O 3.01Å; V33-L98 PolarHBondContact O-N 2.8Å; K82-L98 WeakPolarHBondContact O-CA 3.42Å; A83-L98 HydrophobicContact CB-CD2 3.89Å; L96-L98 HydrophobicContact CD1-CD2 4.07Å; L96-L98 HydrophobicContact CD1-CG 4.38Å; L96-L98 HydrophobicContact CD2-CD1 4.3Å; L96-L98 HydrophobicContact CD2-CD2 4.36Å; L96-L98 HydrophobicContact CD2-CG 4.27Å; L96-L98 HydrophobicContact CG-CD2 4.29Å; L96-L98 HydrophobicContact CG-CG 4.11Å; L98-L101 HydrophobicContact CB-CD2 3.71Å; L98-L101 HydrophobicContact CB-CG 4.43Å; L98-L101 HydrophobicContact CD1-CD2 4.21Å; L98-Y109 HydrophobicContact CD1-CD1 4.14Å; L98-Y109 HydrophobicContact CD1-CE1 3.41Å; L98-Y109 VanDerWaalsContact CD1-CE1 3.41Å; L98-Y109 HydrophobicContact CD1-CE2 4.27Å; L98-Y109 VanDerWaalsContact CD1-CZ 3.48Å; L98-Y109 WeakPolarHBondContact CD1-OH 3.48Å
99	S	97.8	Very high	97.1	Very high	32 Å²	32	49.7 Å²	49.7	22%	0.224	30%	0.297	C	S	.	.			trans	-112.9	158.5	178.8	55.1	0	0	0	0	113	S32 K82 L101	S32-S99 WeakPolarHBondContact OG-CA 3.33Å; K82-S99 WeakPolarHBondContact CG-O 3.32Å; K82-S99 PolarHBondContact O-N 3.18Å; K82-S99 PolarHBondContact O-OG 3.3Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 2.89Å
100	S	97.1	Very high	97.1	Very high	79 Å²	79	50 Å²	50	55%	0.552	29%	0.293	S	S	*	.	S	Bend	trans	54.4	48.5	173.4	-55.1	0	0	0	0	112.4	A31	A31-S100 PolarHBondContact O-N 2.57Å
101	L	97.5	Very high	97.1	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	27%	0.265	C	S	.	.			trans	-64.9	143.3	-173.1	-69.2	167.8	0	0	0	112.5	V27 P29 G30 A31 V33 L98 S99 D105	V27-L101 HydrophobicContact CB-CD1 4.47Å; V27-L101 HydrophobicContact CG2-CD1 3.49Å; V27-L101 VanDerWaalsContact CG2-CD1 3.49Å; P29-L101 CarbonylContact C-O 3.57Å; P29-L101 WeakPolarHBondContact CA-O 3.5Å; G30-L101 PolarHBondContact N-O 2.83Å; A31-L101 WeakPolarHBondContact O-CG 3.4Å; A31-L101 PolarHBondContact O-N 3.49Å; V33-L101 HydrophobicContact CB-CD1 4.03Å; V33-L101 HydrophobicContact CG1-CD1 3.79Å; L98-L101 HydrophobicContact CB-CD2 3.71Å; L98-L101 HydrophobicContact CB-CG 4.43Å; L98-L101 HydrophobicContact CD1-CD2 4.21Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 2.89Å; L101-D105 WeakPolarHBondContact CA-OD2 3.23Å; L101-D105 HydrophobicContact CD2-CB 3.54Å
102	T	96	Very high	97	Very high	63 Å²	63	46.2 Å²	46.2	39%	0.387	26%	0.262	S	S	.	.			trans	-122	174.7	174.3	72.4	0	0	0	0	110.1	E104 D105	T102-E104 PolarHBondContact O-N 3.09Å; T102-E104 VanDerWaalsContact O-N 3.16Å; T102-E104 PolarHBondContact OG1-N 3.08Å; T102-D105 PolarHBondContact N-OD2 3.36Å; T102-D105 WeakPolarHBondContact O-CB 2.96Å; T102-D105 PolarHBondContact O-N 2.95Å; T102-D105 PolarHBondContact OG1-OD2 2.86Å
103	S	94.1	Very high	97	Very high	99 Å²	99	47.1 Å²	47.1	69%	0.692	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-57.1	-28.2	174.4	52	0	0	0	0	112.8	D105 T106	S103-D105 PolarHBondContact O-N 2.93Å; S103-T106 WeakPolarHBondContact O-CB 3.35Å; S103-T106 PolarHBondContact O-N 2.84Å; S103-T106 PolarHBondContact O-OG1 2.79Å
104	E	93.1	Very high	96.9	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.3	177.5	-60.5	-174.5	175.8	0	0	113.5	K53 T102 T106	K53-E104 PolarHBondContact NZ-O 3.01Å; T102-E104 PolarHBondContact O-N 3.09Å; T102-E104 VanDerWaalsContact O-N 3.16Å; T102-E104 PolarHBondContact OG1-N 3.08Å; E104-T106 VanDerWaalsContact C-N 3.33Å
105	D	95.2	Very high	96.8	Very high	13 Å²	13	52.1 Å²	52.1	7%	0.07	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-85.4	-4.9	176.7	-55.9	-55.2	0	0	0	113.7	K53 K82 L101 T102 S103 A107 Y109	K53-D105 IonicContact NZ-OD1 3.68Å; K82-D105 WeakPolarHBondContact CE-OD1 3.4Å; K82-D105 WeakPolarHBondContact CE-OD2 3.48Å; K82-D105 IonicContact NZ-OD1 2.57Å; K82-D105 PolarHBondContact NZ-OD1 2.94Å; K82-D105 IonicContact NZ-OD2 2.67Å; K82-D105 PolarHBondContact NZ-OD2 3.49Å; L101-D105 WeakPolarHBondContact CA-OD2 3.23Å; L101-D105 HydrophobicContact CD2-CB 3.54Å; T102-D105 PolarHBondContact N-OD2 3.36Å; T102-D105 WeakPolarHBondContact O-CB 2.96Å; T102-D105 PolarHBondContact O-N 2.95Å; T102-D105 PolarHBondContact OG1-OD2 2.86Å; S103-D105 PolarHBondContact O-N 2.93Å; D105-A107 PolarHBondContact O-N 3.39Å; D105-Y109 WeakPolarHBondContact O-CE2 3.31Å; D105-Y109 PolarHBondContact O-OH 3.18Å
106	T	95.5	Very high	96.7	Very high	106 Å²	106	52 Å²	52	65%	0.65	30%	0.302	S	S	*	.			trans	-65.4	109.3	173.7	-49.4	0	0	0	0	109.4	S103 E104	S103-T106 WeakPolarHBondContact O-CB 3.35Å; S103-T106 PolarHBondContact O-N 2.84Å; S103-T106 PolarHBondContact O-OG1 2.79Å; E104-T106 VanDerWaalsContact C-N 3.33Å
107	A	96.6	Very high	96.6	Very high	28 Å²	28	55.5 Å²	55.5	23%	0.231	32%	0.322	C	S	.	.	S	Bend	trans	-163.4	167.4	-171.8	0	0	0	0	0	110.9	K53 Q54 R55 D105 Y109	K53-A107 HydrophobicContact CD-CB 4.08Å; K53-A107 HydrophobicContact CG-CB 3.43Å; K53-A107 VanDerWaalsContact CG-CB 3.43Å; Q54-A107 WeakPolarHBondContact O-CA 3.24Å; Q54-A107 VanDerWaalsContact O-CB 3.28Å; Q54-A107 WeakPolarHBondContact O-CB 3.36Å; R55-A107 HydrophobicContact CG-CB 3.99Å; D105-A107 PolarHBondContact O-N 3.39Å; A107-Y109 HydrophobicContact CB-CD2 4.33Å; A107-Y109 HydrophobicContact CB-CE2 3.82Å
108	V	96.9	Very high	96.4	Very high	74 Å²	74	53.4 Å²	53.4	45%	0.448	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.6	159	-173.7	0	0	0	0	108	K53 Q54 Y110	K53-V108 CarbonylContact C-O 3.59Å; Q54-V108 PolarHBondContact N-O 2.86Å; Q54-V108 PolarHBondContact O-N 3.44Å; V108-Y110 HydrophobicContact CB-CE2 4.1Å; V108-Y110 HydrophobicContact CG1-CD1 4.29Å; V108-Y110 HydrophobicContact CG1-CD2 4.35Å; V108-Y110 HydrophobicContact CG1-CE1 3.66Å; V108-Y110 HydrophobicContact CG1-CE2 3.73Å
109	Y	97.7	Very high	96.3	Very high	27 Å²	27	57.5 Å²	57.5	11%	0.106	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.3	177.4	-72	-94.6	0	0	0	108.4	Q21 L35 V52 K53 I63 L96 L98 D105 A107	Q21-Y109 PolarHBondContact NE2-O 3.26Å; Q21-Y109 PolarHBondContact OE1-O 2.88Å; L35-Y109 HydrophobicContact CD1-CD1 4.32Å; L35-Y109 HydrophobicContact CD1-CD2 4.15Å; L35-Y109 HydrophobicContact CD1-CG 3.74Å; V52-Y109 CarbonylContact O-C 3.59Å; V52-Y109 WeakPolarHBondContact O-CA 3.32Å; K53-Y109 HydrophobicContact CB-CD1 4.26Å; K53-Y109 HydrophobicContact CB-CE1 4.01Å; K53-Y109 HydrophobicContact CD-CE1 4.12Å; K53-Y109 HydrophobicContact CG-CD1 4.4Å; K53-Y109 HydrophobicContact CG-CE1 3.87Å; I63-Y109 HydrophobicContact CD1-CD1 3.67Å; I63-Y109 HydrophobicContact CD1-CE1 3.72Å; L96-Y109 HydrophobicContact CD2-CD1 3.89Å; L96-Y109 HydrophobicContact CD2-CE1 4.4Å; L98-Y109 HydrophobicContact CD1-CD1 4.14Å; L98-Y109 HydrophobicContact CD1-CE1 3.41Å; L98-Y109 VanDerWaalsContact CD1-CE1 3.41Å; L98-Y109 HydrophobicContact CD1-CE2 4.27Å; L98-Y109 VanDerWaalsContact CD1-CZ 3.48Å; L98-Y109 WeakPolarHBondContact CD1-OH 3.48Å; D105-Y109 WeakPolarHBondContact O-CE2 3.31Å; D105-Y109 PolarHBondContact O-OH 3.18Å; A107-Y109 HydrophobicContact CB-CD2 4.33Å; A107-Y109 HydrophobicContact CB-CE2 3.82Å
110	Y	97.5	Very high	96.2	Very high	68 Å²	68	59.6 Å²	59.6	27%	0.267	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.7	-179.7	-60.1	-76.1	0	0	0	111.1	W51 V52 Q54 V108	W51-Y110 WeakPolarHBondContact CA-O 3.18Å; V52-Y110 PolarHBondContact N-O 2.84Å; V52-Y110 PolarHBondContact O-N 3.09Å; Q54-Y110 HydrophobicContact CB-CD2 4.4Å; Q54-Y110 HydrophobicContact CB-CE2 3.75Å; Q54-Y110 VanDerWaalsContact OE1-CE2 3.23Å; Q54-Y110 PolarHBondContact OE1-OH 2.9Å; V108-Y110 HydrophobicContact CB-CE2 4.1Å; V108-Y110 HydrophobicContact CG1-CD1 4.29Å; V108-Y110 HydrophobicContact CG1-CD2 4.35Å; V108-Y110 HydrophobicContact CG1-CE1 3.66Å; V108-Y110 HydrophobicContact CG1-CE2 3.73Å
111	C	96.9	Very high	96.1	Very high	27 Å²	27	57.8 Å²	57.8	18%	0.182	33%	0.332	C	S	.	.			trans	-102.8	0	134.8	71.8	0	0	0	0	107.7	M1 L19 Q21 C37 M49	M1-C111 PolarHBondContact N-OXT 3.05Å; L19-C111 HydrophobicContact CD1-CB 4.46Å; L19-C111 VanDerWaalsContact CD1-O 3.29Å; L19-C111 WeakPolarHBondContact CD1-O 3.13Å; Q21-C111 WeakPolarHBondContact CG-SG 3.1Å; Q21-C111 PolarHBondContact OE1-OXT 2.93Å; C37-C111 HydrophobicContact CB-CB 3.7Å; C37-C111 WeakPolarHBondContact CB-SG 3.32Å; C37-C111 WeakPolarHBondContact SG-CB 3.47Å; C37-C111 CovalentContact SG-SG 2.01Å; C37-C111 PolarHBondContact SG-SG 2.77Å; M49-C111 HydrophobicContact CE-CB 4.33Å

Retrieved 111 of 111 residues in 77 ms (Link to these results)

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