A0A075B5V6_MOUSE Loading...

Immunoglobulin heavy variable V1-42

AlphaFold DB , UniProt , Accession A0A075B5V6, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-42, Length 98 aa.

						>A0A075B5V6_MOUSE|A0A075B5V6|Ighv1-42
EVQLQQSGPELVKPGASVKISCKASGYSFTGYYMNWVKQSPEKSLEWIGEINPSTGGTTYNQKFKAKATLTVDKSSSTAYMQLKSLTSEDSAVYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	86.8	Confident	95.6	Very high	202 Å²	202	103.2 Å²	103.2	94%	0.944	56%	0.56	S	S	*	*				0	147.9	0	-173.2	174.2	-171.9	0	0	109	G26	E1-G26 WeakPolarHBondContact O-CA 3.4Å
2	V	92.9	Very high	95.5	Very high	61 Å²	61	99.9 Å²	99.9	37%	0.37	55%	0.546	S	S	.	.			trans	-89.6	134.7	-177.5	171.8	0	0	0	0	109.1	Y27	V2-Y27 HydrophobicContact CG1-CD1 3.78Å; V2-Y27 HydrophobicContact CG1-CE1 4.06Å; V2-Y27 HydrophobicContact CG2-CD1 4.48Å
3	Q	97	Very high	95.5	Very high	114 Å²	114	105.5 Å²	105.5	53%	0.533	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134	139	179.4	-63.9	179.6	-8.5	0	0	111.4	S25	Q3-S25 PolarHBondContact N-O 3.26Å; Q3-S25 PolarHBondContact O-N 3.08Å
4	L	98	Very high	95.5	Very high	56 Å²	56	106.4 Å²	106.4	29%	0.293	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	111.8	172.7	-62.1	-177	0	0	0	108.4	K23 A24 Y27 M34 R98	L4-K23 WeakPolarHBondContact CA-O 3.29Å; L4-A24 HydrophobicContact CD2-CB 3.86Å; L4-Y27 HydrophobicContact CD2-CE1 4.12Å; L4-M34 HydrophobicContact CD1-SD 4.39Å; L4-M34 HydrophobicContact CD2-CE 3.78Å; L4-R98 HydrophobicContact CD1-CB 4.41Å
5	Q	98.3	Very high	95.6	Very high	140 Å²	140	102.7 Å²	102.7	65%	0.654	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.5	111.8	179.3	-178.8	62	65	0	0	109.8	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.42Å; Q5-K23 HydrophobicContact CB-CB 4.48Å; Q5-K23 PolarHBondContact N-O 2.9Å; Q5-K23 PolarHBondContact O-N 3.09Å
6	Q	98.4	Very high	95.7	Very high	47 Å²	47	98.5 Å²	98.5	22%	0.22	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89	155.7	177.4	-70.8	-175	-125.6	0	0	112.8	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.56Å; Q6-S21 VanDerWaalsContact CA-O 3.23Å; Q6-S21 WeakPolarHBondContact CA-O 3.36Å; Q6-C22 HydrophobicContact CG-CB 4.28Å; Q6-Y94 PolarHBondContact NE2-O 3.44Å; Q6-C96 WeakPolarHBondContact CG-SG 3.15Å
7	S	97.6	Very high	95.8	Very high	35 Å²	35	96.2 Å²	96.2	25%	0.245	55%	0.547	C	S	.	.			trans	-60.5	154.4	164.4	55.9	0	0	0	0	111.2	I20 S21	S7-I20 WeakPolarHBondContact OG-CA 3.39Å; S7-I20 WeakPolarHBondContact OG-CG2 3.3Å; S7-S21 WeakPolarHBondContact CB-OG 3.45Å; S7-S21 PolarHBondContact N-O 3.36Å; S7-S21 PolarHBondContact OG-N 3.27Å; S7-S21 VanDerWaalsContact OG-N 3.11Å
8	G	96.2	Very high	95.9	Very high	54 Å²	54	91.7 Å²	91.7	56%	0.557	52%	0.522	S	S	*	.			trans	-69.2	176.6	179.4	0	0	0	0	0	113.8
9	P	96	Very high	96	Very high	140 Å²	140	92.4 Å²	92.4	91%	0.909	52%	0.519	S	S	*	.			trans	-65.5	144.4	176	29.2	-35	0	0	0	111.1
10	E	95.3	Very high	96.2	Very high	102 Å²	102	88.7 Å²	88.7	48%	0.477	50%	0.497	S	S	.	.			trans	-127	130.4	177.8	-69.1	-173.1	-136.8	0	0	110.7	V12 V18	E10-V12 HydrophobicContact CB-CG1 4.38Å; E10-V18 HydrophobicContact CB-CG2 3.99Å; E10-V18 HydrophobicContact CG-CG2 4.31Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.26Å
11	L	95.4	Very high	96.3	Very high	184 Å²	184	86.1 Å²	86.1	96%	0.963	49%	0.485	S	S	*	.			trans	-98.6	117.6	170.9	-71	171.7	0	0	0	108.7
12	V	94.4	Very high	96.9	Very high	64 Å²	64	76.5 Å²	76.5	39%	0.388	44%	0.44	S	S	.	.			trans	-130.9	156.1	-174.6	-63.8	0	0	0	0	111	E10 A16 L86	E10-V12 HydrophobicContact CB-CG1 4.38Å; V12-A16 HydrophobicContact CB-CB 4.33Å; V12-L86 HydrophobicContact CB-CD1 4.46Å; V12-L86 HydrophobicContact CG2-CD1 3.35Å
13	K	95.2	Very high	97.1	Very high	172 Å²	172	79.2 Å²	79.2	75%	0.748	45%	0.447	S	S	*	.			trans	-76.4	151.8	179.1	-63.7	-179.3	-178.4	178.9	0	110.9	A16	K13-A16 WeakPolarHBondContact O-CB 3.49Å; K13-A16 PolarHBondContact O-N 2.68Å; K13-A16 VanDerWaalsContact O-N 3.1Å
14	P	95.7	Very high	97.2	Very high	118 Å²	118	74 Å²	74	77%	0.766	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	141.9	168.3	-25.7	34.8	0	0	0	111.9	A16	P14-A16 PolarHBondContact O-N 3.32Å
15	G	96.8	Very high	97.2	Very high	52 Å²	52	73.9 Å²	73.9	54%	0.536	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-13	-175.9	0	0	0	0	0	115	L86	G15-L86 PolarHBondContact N-O 3.22Å
16	A	97.7	Very high	97.1	Very high	35 Å²	35	69.9 Å²	69.9	29%	0.289	42%	0.424	S	S	.	.			trans	-69.4	176.9	176	0	0	0	0	0	111.9	V12 K13 P14 S85 L86	V12-A16 HydrophobicContact CB-CB 4.33Å; K13-A16 WeakPolarHBondContact O-CB 3.49Å; K13-A16 PolarHBondContact O-N 2.68Å; K13-A16 VanDerWaalsContact O-N 3.1Å; P14-A16 PolarHBondContact O-N 3.32Å; A16-S85 PolarHBondContact O-N 3.41Å; A16-L86 WeakPolarHBondContact O-CG 3.38Å; A16-L86 PolarHBondContact O-N 2.77Å
17	S	97.5	Very high	96.9	Very high	59 Å²	59	69.8 Å²	69.8	41%	0.413	42%	0.422	S	S	.	.			trans	-119.7	151.7	170.4	-55.2	0	0	0	0	110	L83 K84	S17-L83 CarbonylContact C-O 3.5Å; S17-L83 WeakPolarHBondContact CA-O 3.41Å; S17-L83 VanDerWaalsContact CB-O 3.3Å; S17-L83 WeakPolarHBondContact CB-O 3.23Å; S17-K84 WeakPolarHBondContact OG-CA 3.22Å; S17-K84 WeakPolarHBondContact OG-CB 3.41Å
18	V	97.7	Very high	96.8	Very high	16 Å²	16	71.5 Å²	71.5	10%	0.097	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.7	175.8	66.8	0	0	0	0	109.4	E10 I20 Q82 L83 L86	E10-V18 HydrophobicContact CB-CG2 3.99Å; E10-V18 HydrophobicContact CG-CG2 4.31Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.26Å; V18-I20 HydrophobicContact CG2-CG1 4.48Å; V18-Q82 CarbonylContact O-C 3.53Å; V18-Q82 VanDerWaalsContact O-CA 3.29Å; V18-Q82 WeakPolarHBondContact O-CA 3.41Å; V18-Q82 WeakPolarHBondContact O-CG 3.28Å; V18-L83 HydrophobicContact CG1-CB 4.01Å; V18-L83 HydrophobicContact CG1-CD1 4.42Å; V18-L83 PolarHBondContact N-O 3.1Å; V18-L83 PolarHBondContact O-N 2.85Å; V18-L86 HydrophobicContact CB-CD1 4.07Å; V18-L86 HydrophobicContact CG1-CD1 3.87Å; V18-L86 HydrophobicContact CG1-CD2 4.36Å
19	K	98	Very high	96.8	Very high	105 Å²	105	69.3 Å²	69.3	46%	0.457	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	108.9	177.3	-174.6	-179.7	-179.8	-177.1	0	110.3	Y80	K19-Y80 HydrophobicContact CD-CD1 4.43Å; K19-Y80 VanDerWaalsContact CE-CD1 3.42Å; K19-Y80 HydrophobicContact CG-CD1 4.44Å
20	I	98.5	Very high	96.9	Very high	18 Å²	18	65.6 Å²	65.6	9%	0.092	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.5	180	-50.7	-176.4	0	0	0	108.6	S7 V18 W36 Y80 M81 Y94	S7-I20 WeakPolarHBondContact OG-CA 3.39Å; S7-I20 WeakPolarHBondContact OG-CG2 3.3Å; V18-I20 HydrophobicContact CG2-CG1 4.48Å; I20-W36 HydrophobicContact CB-CH2 4.33Å; I20-W36 HydrophobicContact CB-CZ3 4.17Å; I20-W36 HydrophobicContact CG2-CH2 4Å; I20-W36 HydrophobicContact CG2-CZ3 3.7Å; I20-Y80 CarbonylContact O-C 3.59Å; I20-Y80 VanDerWaalsContact O-CA 3.22Å; I20-Y80 WeakPolarHBondContact O-CA 3.43Å; I20-M81 HydrophobicContact CD1-CE 3.72Å; I20-M81 HydrophobicContact CG1-CE 4.45Å; I20-M81 PolarHBondContact N-O 2.88Å; I20-M81 PolarHBondContact O-N 2.86Å; I20-Y94 HydrophobicContact CD1-CD2 3.89Å; I20-Y94 HydrophobicContact CD1-CG 3.78Å
21	S	98.6	Very high	96.9	Very high	35 Å²	35	63.2 Å²	63.2	25%	0.245	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	152.7	174	69.5	0	0	0	0	111.3	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.56Å; Q6-S21 VanDerWaalsContact CA-O 3.23Å; Q6-S21 WeakPolarHBondContact CA-O 3.36Å; S7-S21 WeakPolarHBondContact CB-OG 3.45Å; S7-S21 PolarHBondContact N-O 3.36Å; S7-S21 PolarHBondContact OG-N 3.27Å; S7-S21 VanDerWaalsContact OG-N 3.11Å; S21-A79 CarbonylContact C-O 3.56Å; S21-Y80 VanDerWaalsContact CB-CE1 3.47Å
22	C	98.7	Very high	97	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	103	173.8	176.9	0	0	0	0	109.3	Q5 Q6 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.42Å; Q6-C22 HydrophobicContact CG-CB 4.28Å; C22-W36 HydrophobicContact CB-CH2 3.62Å; C22-W36 HydrophobicContact CB-CZ2 3.87Å; C22-W36 HydrophobicContact CB-CZ3 4.49Å; C22-T78 WeakPolarHBondContact O-CA 3.09Å; C22-A79 PolarHBondContact N-O 3.1Å; C22-A79 PolarHBondContact O-N 3.24Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.34Å; C22-C96 WeakPolarHBondContact SG-CB 3.37Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.93Å
23	K	98.5	Very high	97.2	Very high	117 Å²	117	62.5 Å²	62.5	51%	0.509	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.7	178.3	-175.2	176	-177.4	179.2	0	110	L4 Q5 T78	L4-K23 WeakPolarHBondContact CA-O 3.29Å; Q5-K23 HydrophobicContact CB-CB 4.48Å; Q5-K23 PolarHBondContact N-O 2.9Å; Q5-K23 PolarHBondContact O-N 3.09Å; K23-T78 HydrophobicContact CB-CG2 4.41Å
24	A	98.3	Very high	97.3	Very high	6 Å²	6	54.3 Å²	54.3	5%	0.05	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.1	-179.6	0	0	0	0	0	111.7	L4 Y27 F29 M34 S77	L4-A24 HydrophobicContact CD2-CB 3.86Å; A24-Y27 HydrophobicContact CB-CE1 3.6Å; A24-Y27 VanDerWaalsContact CB-OH 3.3Å; A24-Y27 WeakPolarHBondContact CB-OH 3.42Å; A24-F29 HydrophobicContact CB-CB 4.5Å; A24-F29 HydrophobicContact CB-CD2 3.42Å; A24-F29 VanDerWaalsContact CB-CD2 3.42Å; A24-F29 HydrophobicContact CB-CE2 3.9Å; A24-F29 HydrophobicContact CB-CG 4.24Å; A24-M34 HydrophobicContact CB-CE 4.32Å; A24-S77 PolarHBondContact N-O 3.24Å
25	S	97.7	Very high	97.4	Very high	52 Å²	52	50.2 Å²	50.2	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.9	171.4	63.8	0	0	0	0	111.5	Q3 Y27	Q3-S25 PolarHBondContact N-O 3.26Å; Q3-S25 PolarHBondContact O-N 3.08Å; S25-Y27 WeakPolarHBondContact O-CD1 3.43Å
26	G	96.5	Very high	97.5	Very high	57 Å²	57	47.7 Å²	47.7	59%	0.588	28%	0.277	S	S	*	.	S	Bend	trans	80.6	11.8	178.7	0	0	0	0	0	115.5	E1	E1-G26 WeakPolarHBondContact O-CA 3.4Å
27	Y	95	Very high	97.6	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.173	27%	0.271	C	S	.	.	S	Bend	trans	-157.8	172.9	171.9	71.9	-78.2	0	0	0	111.8	V2 L4 A24 S25 F29 Y32 M34 R98	V2-Y27 HydrophobicContact CG1-CD1 3.78Å; V2-Y27 HydrophobicContact CG1-CE1 4.06Å; V2-Y27 HydrophobicContact CG2-CD1 4.48Å; L4-Y27 HydrophobicContact CD2-CE1 4.12Å; A24-Y27 HydrophobicContact CB-CE1 3.6Å; A24-Y27 VanDerWaalsContact CB-OH 3.3Å; A24-Y27 WeakPolarHBondContact CB-OH 3.42Å; S25-Y27 WeakPolarHBondContact O-CD1 3.43Å; Y27-F29 PolarHBondContact O-N 3.39Å; Y27-F29 VanDerWaalsContact O-N 3.08Å; Y27-Y32 AromaticContact CD2-CD2 3.67Å; Y27-Y32 HydrophobicContact CD2-CD2 3.67Å; Y27-Y32 HydrophobicContact CD2-CE2 4.24Å; Y27-Y32 HydrophobicContact CD2-CG 4.41Å; Y27-Y32 HydrophobicContact CE2-CD2 4.04Å; Y27-Y32 HydrophobicContact CE2-CG 4.43Å; Y27-M34 WeakPolarHBondContact OH-CE 3.44Å; Y27-R98 VanDerWaalsContact CB-NH1 3.31Å; Y27-R98 VanDerWaalsContact CD1-NH1 3.32Å; Y27-R98 VanDerWaalsContact CD2-CD 3.46Å; Y27-R98 HydrophobicContact CE2-CG 3.86Å; Y27-R98 VanDerWaalsContact CZ-CD 3.4Å
28	S	95.7	Very high	97.6	Very high	72 Å²	72	45 Å²	45	50%	0.503	25%	0.253	S	S	.	.			trans	-72.5	96	173.1	-176.5	0	0	0	0	110.7	T30 G31 Y32	S28-T30 PolarHBondContact O-N 3.49Å; S28-G31 PolarHBondContact O-N 3.06Å; S28-Y32 WeakPolarHBondContact O-CD2 3.3Å
29	F	96.2	Very high	97.5	Very high	8 Å²	8	47 Å²	47	4%	0.035	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-53.8	-39.7	-177.6	177	-120.9	0	0	0	113.2	A24 Y27 G31 M34 P53 V72 A79	A24-F29 HydrophobicContact CB-CB 4.5Å; A24-F29 HydrophobicContact CB-CD2 3.42Å; A24-F29 VanDerWaalsContact CB-CD2 3.42Å; A24-F29 HydrophobicContact CB-CE2 3.9Å; A24-F29 HydrophobicContact CB-CG 4.24Å; Y27-F29 PolarHBondContact O-N 3.39Å; Y27-F29 VanDerWaalsContact O-N 3.08Å; F29-G31 VanDerWaalsContact C-N 3.28Å; F29-G31 PolarHBondContact O-N 3.02Å; F29-M34 HydrophobicContact CD2-CE 4.47Å; F29-M34 HydrophobicContact CE2-CE 3.92Å; F29-P53 HydrophobicContact CD1-CB 3.96Å; F29-P53 HydrophobicContact CD2-CB 4.45Å; F29-P53 HydrophobicContact CD2-CG 4.36Å; F29-P53 HydrophobicContact CE1-CB 3.7Å; F29-P53 HydrophobicContact CE1-CG 4.39Å; F29-P53 HydrophobicContact CE2-CB 4.21Å; F29-P53 HydrophobicContact CE2-CG 4.02Å; F29-P53 HydrophobicContact CG-CB 4.36Å; F29-P53 HydrophobicContact CZ-CB 3.85Å; F29-P53 HydrophobicContact CZ-CG 4.05Å; F29-P53 WeakPolarHBondContact O-CB 3.45Å; F29-P53 WeakPolarHBondContact O-CG 3.15Å; F29-V72 HydrophobicContact CE1-CG2 3.56Å; F29-V72 HydrophobicContact CZ-CG2 3.32Å; F29-A79 HydrophobicContact CE2-CB 4.46Å; F29-A79 HydrophobicContact CZ-CB 4.23Å
30	T	97	Very high	97.2	Very high	61 Å²	61	42.4 Å²	42.4	37%	0.374	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-76.5	-12.1	179.3	54	0	0	0	0	114.1	S28 S54	S28-T30 PolarHBondContact O-N 3.49Å; T30-S54 WeakPolarHBondContact O-CB 2.99Å
31	G	96.1	Very high	96.8	Very high	53 Å²	53	46.3 Å²	46.3	55%	0.546	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-86.7	-8.3	-179	0	0	0	0	0	115.2	S28 F29	S28-G31 PolarHBondContact O-N 3.06Å; F29-G31 VanDerWaalsContact C-N 3.28Å; F29-G31 PolarHBondContact O-N 3.02Å
32	Y	96.8	Very high	96.3	Very high	127 Å²	127	52 Å²	52	50%	0.498	29%	0.292	S	S	.	.	S	Bend	trans	-136.9	144.9	-175	-64	-93.5	0	0	0	111.2	Y27 S28 P53 R98	Y27-Y32 AromaticContact CD2-CD2 3.67Å; Y27-Y32 HydrophobicContact CD2-CD2 3.67Å; Y27-Y32 HydrophobicContact CD2-CE2 4.24Å; Y27-Y32 HydrophobicContact CD2-CG 4.41Å; Y27-Y32 HydrophobicContact CE2-CD2 4.04Å; Y27-Y32 HydrophobicContact CE2-CG 4.43Å; S28-Y32 WeakPolarHBondContact O-CD2 3.3Å; Y32-P53 WeakPolarHBondContact O-CD 3.39Å; Y32-P53 VanDerWaalsContact O-CG 3.28Å; Y32-P53 WeakPolarHBondContact O-CG 3.34Å; Y32-R98 HydrophobicContact CD1-CG 4.44Å; Y32-R98 HydrophobicContact CG-CG 4.07Å
33	Y	98.1	Very high	95.3	Very high	105 Å²	105	60.3 Å²	60.3	41%	0.412	33%	0.328	S	S	.	.			trans	-64.9	147.3	171.4	-73.3	-98.2	0	0	0	110.7	E50 N52	Y33-E50 HydrophobicContact CD1-CB 4.47Å; Y33-E50 HydrophobicContact CD1-CG 4.05Å; Y33-N52 HydrophobicContact CD1-CB 3.87Å; Y33-N52 HydrophobicContact CE1-CB 3.46Å; Y33-N52 VanDerWaalsContact CE1-CB 3.46Å; Y33-N52 VanDerWaalsContact CZ-ND2 3.34Å; Y33-N52 PolarHBondContact OH-ND2 3.19Å
34	M	98.3	Very high	94.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.8	168.6	-175.8	66.9	68.1	0	0	108.9	L4 A24 Y27 F29 E50 I51 A79 C96 A97	L4-M34 HydrophobicContact CD1-SD 4.39Å; L4-M34 HydrophobicContact CD2-CE 3.78Å; A24-M34 HydrophobicContact CB-CE 4.32Å; Y27-M34 WeakPolarHBondContact OH-CE 3.44Å; F29-M34 HydrophobicContact CD2-CE 4.47Å; F29-M34 HydrophobicContact CE2-CE 3.92Å; M34-E50 CarbonylContact O-C 3.53Å; M34-E50 WeakPolarHBondContact O-CA 3.12Å; M34-I51 HydrophobicContact CB-CG2 3.95Å; M34-I51 PolarHBondContact N-O 3.1Å; M34-I51 PolarHBondContact O-N 2.73Å; M34-A79 HydrophobicContact CB-CB 4.19Å; M34-A79 HydrophobicContact CG-CB 3.73Å; M34-C96 HydrophobicContact CG-CB 4.42Å; M34-C96 HydrophobicContact SD-CB 3.78Å; M34-A97 VanDerWaalsContact SD-O 3.38Å
35	N	98.7	Very high	94.8	Very high	32 Å²	32	62.6 Å²	62.6	17%	0.171	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148.7	176.7	-72	-85.8	0	0	0	110.8	W47 C96 A97	N35-W47 PolarHBondContact OD1-NE1 3.44Å; N35-C96 CarbonylContact O-C 3.54Å; N35-C96 VanDerWaalsContact O-CA 3.28Å; N35-C96 WeakPolarHBondContact O-CA 3.34Å; N35-A97 HydrophobicContact CB-CB 4.33Å; N35-A97 WeakPolarHBondContact CB-O 3.42Å; N35-A97 PolarHBondContact N-O 2.64Å; N35-A97 PolarHBondContact O-N 2.68Å
36	W	98.7	Very high	94.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134	171.6	-69.2	89.9	0	0	0	110.2	I20 C22 I48 G49 L70 A79 M81 Y95 C96	I20-W36 HydrophobicContact CB-CH2 4.33Å; I20-W36 HydrophobicContact CB-CZ3 4.17Å; I20-W36 HydrophobicContact CG2-CH2 4Å; I20-W36 HydrophobicContact CG2-CZ3 3.7Å; C22-W36 HydrophobicContact CB-CH2 3.62Å; C22-W36 HydrophobicContact CB-CZ2 3.87Å; C22-W36 HydrophobicContact CB-CZ3 4.49Å; W36-I48 HydrophobicContact CB-CB 4.15Å; W36-I48 HydrophobicContact CB-CD1 4.35Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 3.29Å; W36-G49 PolarHBondContact N-O 2.98Å; W36-L70 HydrophobicContact CB-CD2 4.5Å; W36-L70 VanDerWaalsContact CD1-CD2 3.46Å; W36-L70 HydrophobicContact CG-CD2 3.96Å; W36-A79 HydrophobicContact CZ2-CB 4.23Å; W36-M81 HydrophobicContact CB-SD 3.95Å; W36-M81 HydrophobicContact CD2-CB 3.67Å; W36-M81 HydrophobicContact CD2-CG 4.48Å; W36-M81 HydrophobicContact CD2-SD 4.17Å; W36-M81 HydrophobicContact CE3-CB 3.88Å; W36-M81 HydrophobicContact CE3-CE 3.92Å; W36-M81 HydrophobicContact CE3-SD 4.17Å; W36-M81 HydrophobicContact CG-CB 4.19Å; W36-M81 HydrophobicContact CG-SD 4.11Å; W36-M81 HydrophobicContact CH2-CB 4.12Å; W36-M81 HydrophobicContact CZ2-CB 3.95Å; W36-M81 HydrophobicContact CZ3-CB 4.1Å; W36-M81 HydrophobicContact CZ3-CE 4.4Å; W36-Y95 CarbonylContact C-O 3.59Å; W36-Y95 WeakPolarHBondContact CA-O 3.4Å; W36-C96 HydrophobicContact CD2-CB 4.25Å; W36-C96 HydrophobicContact CE3-CB 4.02Å; W36-C96 HydrophobicContact CH2-CB 4Å; W36-C96 HydrophobicContact CZ2-CB 4.2Å; W36-C96 HydrophobicContact CZ3-CB 3.89Å
37	V	98.5	Very high	94.8	Very high	27 Å²	27	63.7 Å²	63.7	16%	0.164	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.2	-175.1	-176	0	0	0	0	109.2	L45 E46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 4.12Å; V37-L45 HydrophobicContact CG1-CD2 4.03Å; V37-E46 CarbonylContact C-O 3.6Å; V37-E46 WeakPolarHBondContact CA-O 3.02Å; V37-Y94 CarbonylContact O-C 3.59Å; V37-Y94 WeakPolarHBondContact O-CA 3.4Å; V37-Y95 PolarHBondContact N-O 3.41Å; V37-Y95 PolarHBondContact O-N 3.47Å
38	K	97.7	Very high	95	Very high	10 Å²	10	61.6 Å²	61.6	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.6	169.6	-176	-176.7	178.7	-174	0	108.9	L45 E46 I48 F64 E89 A92 Y94	K38-L45 WeakPolarHBondContact O-CA 3.36Å; K38-E46 HydrophobicContact CB-CB 4.42Å; K38-E46 PolarHBondContact N-O 3.06Å; K38-E46 PolarHBondContact O-N 2.88Å; K38-I48 HydrophobicContact CB-CD1 4Å; K38-I48 HydrophobicContact CB-CG1 4.15Å; K38-F64 HydrophobicContact CB-CZ 4.24Å; K38-F64 HydrophobicContact CD-CE1 3.93Å; K38-F64 HydrophobicContact CD-CZ 3.85Å; K38-E89 PolarHBondContact NZ-O 2.97Å; K38-A92 HydrophobicContact CD-CB 4.07Å; K38-A92 HydrophobicContact CG-CB 3.51Å; K38-Y94 HydrophobicContact CB-CD1 4.09Å; K38-Y94 HydrophobicContact CB-CE1 3.85Å; K38-Y94 HydrophobicContact CD-CE1 4.07Å; K38-Y94 HydrophobicContact CG-CD1 4.22Å; K38-Y94 HydrophobicContact CG-CE1 3.69Å
39	Q	96.8	Very high	95.1	Very high	57 Å²	57	58.1 Å²	58.1	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.8	167.4	-173.2	174.6	47.7	0	0	109.5	S44 L45 A92 V93 Y95	Q39-S44 WeakPolarHBondContact CA-O 3.36Å; Q39-L45 HydrophobicContact CB-CD2 3.71Å; Q39-L45 HydrophobicContact CG-CD2 3.79Å; Q39-A92 VanDerWaalsContact O-CB 3.26Å; Q39-A92 WeakPolarHBondContact O-CB 2.8Å; Q39-V93 HydrophobicContact CB-CB 4.4Å; Q39-V93 PolarHBondContact N-O 3.49Å; Q39-V93 PolarHBondContact O-N 2.98Å; Q39-Y95 HydrophobicContact CB-CD2 4.2Å; Q39-Y95 HydrophobicContact CB-CE2 3.77Å; Q39-Y95 PolarHBondContact OE1-OH 3.5Å
40	S	91.3	Very high	95.2	Very high	10 Å²	10	60 Å²	60	7%	0.07	31%	0.306	C	S	.	.			trans	-71.5	161	176.2	67.2	0	0	0	0	111.9	E42 K43 S44	S40-E42 VanDerWaalsContact CB-OE2 3.29Å; S40-E42 WeakPolarHBondContact CB-OE2 3.37Å; S40-E42 PolarHBondContact O-N 3Å; S40-E42 PolarHBondContact OG-OE2 3.41Å; S40-K43 WeakPolarHBondContact O-CA 3.41Å; S40-K43 PolarHBondContact O-N 2.74Å; S40-S44 PolarHBondContact N-O 2.79Å; S40-S44 PolarHBondContact OG-N 2.67Å; S40-S44 VanDerWaalsContact OG-N 3.1Å; S40-S44 PolarHBondContact OG-O 3.1Å; S40-S44 PolarHBondContact OG-OG 3.42Å
41	P	90.1	Very high	95.3	Very high	100 Å²	100	57.2 Å²	57.2	65%	0.649	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.8	170.9	-25	35.5	0	0	0	113.5	K43	P41-K43 PolarHBondContact O-N 2.91Å; P41-K43 VanDerWaalsContact O-N 3.08Å
42	E	88.5	Confident	95.4	Very high	155 Å²	155	55.9 Å²	55.9	72%	0.724	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	7.6	173.1	-55.4	82.8	-174.5	0	0	113.3	S40 S44	S40-E42 VanDerWaalsContact CB-OE2 3.29Å; S40-E42 WeakPolarHBondContact CB-OE2 3.37Å; S40-E42 PolarHBondContact O-N 3Å; S40-E42 PolarHBondContact OG-OE2 3.41Å; E42-S44 PolarHBondContact O-N 2.96Å
43	K	77.4	Confident	95.5	Very high	174 Å²	174	49.8 Å²	49.8	76%	0.757	25%	0.245	S	C	*	.			trans	64.4	15	179.7	-54.9	-179	179.7	179.3	0	114.6	S40 P41	S40-K43 WeakPolarHBondContact O-CA 3.41Å; S40-K43 PolarHBondContact O-N 2.74Å; P41-K43 PolarHBondContact O-N 2.91Å; P41-K43 VanDerWaalsContact O-N 3.08Å
44	S	90	Very high	95.5	Very high	53 Å²	53	47.6 Å²	47.6	37%	0.371	25%	0.245	S	C	.	.			trans	-75.2	132.9	171.6	65.8	0	0	0	0	110.2	Q39 S40 E42	Q39-S44 WeakPolarHBondContact CA-O 3.36Å; S40-S44 PolarHBondContact N-O 2.79Å; S40-S44 PolarHBondContact OG-N 2.67Å; S40-S44 VanDerWaalsContact OG-N 3.1Å; S40-S44 PolarHBondContact OG-O 3.1Å; S40-S44 PolarHBondContact OG-OG 3.42Å; E42-S44 PolarHBondContact O-N 2.96Å
45	L	95.6	Very high	95.5	Very high	118 Å²	118	52.5 Å²	52.5	62%	0.618	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.1	171.1	-66.5	176.6	0	0	0	108.9	V37 K38 Q39	V37-L45 HydrophobicContact CG1-CB 4.12Å; V37-L45 HydrophobicContact CG1-CD2 4.03Å; K38-L45 WeakPolarHBondContact O-CA 3.36Å; Q39-L45 HydrophobicContact CB-CD2 3.71Å; Q39-L45 HydrophobicContact CG-CD2 3.79Å
46	E	96.6	Very high	95.4	Very high	44 Å²	44	52.8 Å²	52.8	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118	176.3	-66	-170.5	-112.3	0	0	109.6	V37 K38 I48 K63 F64	V37-E46 CarbonylContact C-O 3.6Å; V37-E46 WeakPolarHBondContact CA-O 3.02Å; K38-E46 HydrophobicContact CB-CB 4.42Å; K38-E46 PolarHBondContact N-O 3.06Å; K38-E46 PolarHBondContact O-N 2.88Å; E46-I48 PolarHBondContact O-N 2.75Å; E46-K63 VanDerWaalsContact CD-NZ 3.27Å; E46-K63 IonicContact OE1-NZ 3.41Å; E46-K63 PolarHBondContact OE1-NZ 3.27Å; E46-K63 WeakPolarHBondContact OE2-CD 3.33Å; E46-K63 IonicContact OE2-NZ 2.98Å; E46-K63 PolarHBondContact OE2-NZ 3.14Å; E46-F64 HydrophobicContact CB-CE2 4.21Å; E46-F64 HydrophobicContact CB-CZ 4.31Å
47	W	98	Very high	95.4	Very high	87 Å²	87	54.5 Å²	54.5	33%	0.33	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.7	172.9	-178.5	83.4	0	0	0	110.2	N35 G49 E50 T59 N61	N35-W47 PolarHBondContact OD1-NE1 3.44Å; W47-G49 PolarHBondContact NE1-O 3.24Å; W47-E50 HydrophobicContact CZ2-CB 3.95Å; W47-E50 HydrophobicContact CZ2-CG 3.91Å; W47-T59 HydrophobicContact CH2-CG2 4.04Å; W47-N61 HydrophobicContact CE3-CB 3.84Å; W47-N61 HydrophobicContact CZ3-CB 4.09Å; W47-N61 VanDerWaalsContact CZ3-N 3.35Å; W47-N61 WeakPolarHBondContact O-CB 3.23Å; W47-N61 PolarHBondContact O-ND2 2.86Å
48	I	98.6	Very high	95.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-48.2	-177.8	-61.3	175.3	0	0	0	109.9	W36 K38 E46 N61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.15Å; W36-I48 HydrophobicContact CB-CD1 4.35Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 3.29Å; K38-I48 HydrophobicContact CB-CD1 4Å; K38-I48 HydrophobicContact CB-CG1 4.15Å; E46-I48 PolarHBondContact O-N 2.75Å; I48-N61 PolarHBondContact O-N 2.8Å; I48-F64 HydrophobicContact CB-CB 4.48Å; I48-F64 HydrophobicContact CB-CD2 4.26Å; I48-F64 HydrophobicContact CB-CG 4.17Å; I48-F64 HydrophobicContact CG1-CD1 4.08Å; I48-F64 HydrophobicContact CG1-CD2 4.15Å; I48-F64 HydrophobicContact CG1-CE1 4.07Å; I48-F64 HydrophobicContact CG1-CE2 4.12Å; I48-F64 HydrophobicContact CG1-CG 4.12Å; I48-F64 HydrophobicContact CG1-CZ 4.08Å; I48-F64 HydrophobicContact CG2-CB 3.69Å; I48-F64 HydrophobicContact CG2-CD1 4.1Å; I48-F64 HydrophobicContact CG2-CD2 4.36Å; I48-F64 HydrophobicContact CG2-CG 3.79Å; I48-A68 HydrophobicContact CG2-CB 3.81Å; I48-M81 HydrophobicContact CD1-CE 4Å; I48-M81 HydrophobicContact CD1-SD 3.55Å; I48-M81 VanDerWaalsContact CD1-SD 3.55Å; I48-M81 HydrophobicContact CG2-SD 3.93Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.79Å
49	G	98.7	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	175.3	-171.5	0	0	0	0	0	112.2	W36 W47 T59	W36-G49 PolarHBondContact N-O 2.98Å; W47-G49 PolarHBondContact NE1-O 3.24Å; G49-T59 CarbonylContact C-O 3.59Å; G49-T59 WeakPolarHBondContact CA-O 3.47Å
50	E	98.6	Very high	95.5	Very high	47 Å²	47	58.6 Å²	58.6	22%	0.22	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.7	174.9	68.6	-176.2	-165.3	0	0	111.1	Y33 M34 W47 T58 T59	Y33-E50 HydrophobicContact CD1-CB 4.47Å; Y33-E50 HydrophobicContact CD1-CG 4.05Å; M34-E50 CarbonylContact O-C 3.53Å; M34-E50 WeakPolarHBondContact O-CA 3.12Å; W47-E50 HydrophobicContact CZ2-CB 3.95Å; W47-E50 HydrophobicContact CZ2-CG 3.91Å; E50-T58 VanDerWaalsContact O-CA 3.29Å; E50-T58 WeakPolarHBondContact O-CA 3.49Å; E50-T59 PolarHBondContact N-O 2.81Å; E50-T59 PolarHBondContact O-N 2.82Å
51	I	98.8	Very high	95.8	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.5	170.7	-174.2	163.5	0	0	0	109.7	M34 P53 G57 T58 L70 V72	M34-I51 HydrophobicContact CB-CG2 3.95Å; M34-I51 PolarHBondContact N-O 3.1Å; M34-I51 PolarHBondContact O-N 2.73Å; I51-P53 VanDerWaalsContact O-CD 3.23Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å; I51-G57 CarbonylContact C-O 3.59Å; I51-G57 WeakPolarHBondContact CA-O 3.29Å; I51-T58 HydrophobicContact CB-CG2 3.9Å; I51-T58 HydrophobicContact CD1-CG2 3.8Å; I51-T58 HydrophobicContact CG1-CG2 3.72Å; I51-L70 HydrophobicContact CB-CB 4.08Å; I51-L70 HydrophobicContact CB-CD1 4.35Å; I51-L70 HydrophobicContact CD1-CB 4.24Å; I51-L70 HydrophobicContact CG2-CB 4.45Å; I51-V72 HydrophobicContact CD1-CB 4.04Å
52	N	98.3	Very high	96.2	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.134	34%	0.34	C	S	.	.			trans	-81	111.5	168.1	-174.2	-46.3	0	0	0	108.8	Y33 S54 T55 G56 G57	Y33-N52 HydrophobicContact CD1-CB 3.87Å; Y33-N52 HydrophobicContact CE1-CB 3.46Å; Y33-N52 VanDerWaalsContact CE1-CB 3.46Å; Y33-N52 VanDerWaalsContact CZ-ND2 3.34Å; Y33-N52 PolarHBondContact OH-ND2 3.19Å; N52-S54 PolarHBondContact O-N 2.86Å; N52-S54 WeakPolarHBondContact OD1-CA 3.45Å; N52-S54 VanDerWaalsContact OD1-CB 3.22Å; N52-S54 WeakPolarHBondContact OD1-CB 2.98Å; N52-S54 PolarHBondContact OD1-N 3.04Å; N52-T55 WeakPolarHBondContact CB-OG1 3.33Å; N52-T55 PolarHBondContact O-N 2.82Å; N52-T55 PolarHBondContact OD1-N 2.93Å; N52-T55 VanDerWaalsContact OD1-N 3.1Å; N52-G56 VanDerWaalsContact O-CA 3.27Å; N52-G56 WeakPolarHBondContact O-CA 3.33Å; N52-G56 PolarHBondContact O-N 2.86Å; N52-G57 PolarHBondContact N-O 3.44Å
53	P	98.3	Very high	96.5	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.8	-177.4	-22.4	37.6	0	0	0	113.8	F29 Y32 I51 V72 K74	F29-P53 HydrophobicContact CD1-CB 3.96Å; F29-P53 HydrophobicContact CD2-CB 4.45Å; F29-P53 HydrophobicContact CD2-CG 4.36Å; F29-P53 HydrophobicContact CE1-CB 3.7Å; F29-P53 HydrophobicContact CE1-CG 4.39Å; F29-P53 HydrophobicContact CE2-CB 4.21Å; F29-P53 HydrophobicContact CE2-CG 4.02Å; F29-P53 HydrophobicContact CG-CB 4.36Å; F29-P53 HydrophobicContact CZ-CB 3.85Å; F29-P53 HydrophobicContact CZ-CG 4.05Å; F29-P53 WeakPolarHBondContact O-CB 3.45Å; F29-P53 WeakPolarHBondContact O-CG 3.15Å; Y32-P53 WeakPolarHBondContact O-CD 3.39Å; Y32-P53 VanDerWaalsContact O-CG 3.28Å; Y32-P53 WeakPolarHBondContact O-CG 3.34Å; I51-P53 VanDerWaalsContact O-CD 3.23Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-V72 HydrophobicContact CB-CG2 3.94Å; P53-V72 HydrophobicContact CG-CG2 4.42Å; P53-K74 WeakPolarHBondContact O-CE 3.21Å
54	S	97.7	Very high	97.4	Very high	58 Å²	58	52.9 Å²	52.9	41%	0.406	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-48.2	174.3	-175.1	0	0	0	0	112.1	T30 N52 K74	T30-S54 WeakPolarHBondContact O-CB 2.99Å; N52-S54 PolarHBondContact O-N 2.86Å; N52-S54 WeakPolarHBondContact OD1-CA 3.45Å; N52-S54 VanDerWaalsContact OD1-CB 3.22Å; N52-S54 WeakPolarHBondContact OD1-CB 2.98Å; N52-S54 PolarHBondContact OD1-N 3.04Å; S54-K74 WeakPolarHBondContact O-CE 3.22Å; S54-K74 PolarHBondContact O-NZ 2.98Å
55	T	97.8	Very high	97.7	Very high	104 Å²	104	56.3 Å²	56.3	64%	0.638	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-20.2	-173.6	64.4	0	0	0	0	114	N52 G57	N52-T55 WeakPolarHBondContact CB-OG1 3.33Å; N52-T55 PolarHBondContact O-N 2.82Å; N52-T55 PolarHBondContact OD1-N 2.93Å; N52-T55 VanDerWaalsContact OD1-N 3.1Å; T55-G57 PolarHBondContact O-N 2.94Å; T55-G57 PolarHBondContact OG1-N 3.06Å
56	G	97.4	Very high	97.7	Very high	37 Å²	37	54.3 Å²	54.3	38%	0.381	30%	0.303	S	S	.	.			trans	76.3	2.8	-169.2	0	0	0	0	0	113.9	N52	N52-G56 VanDerWaalsContact O-CA 3.27Å; N52-G56 WeakPolarHBondContact O-CA 3.33Å; N52-G56 PolarHBondContact O-N 2.86Å
57	G	98.4	Very high	97.7	Very high	37 Å²	37	54.6 Å²	54.6	38%	0.381	30%	0.303	S	S	.	.			trans	-63.1	138.8	177.3	0	0	0	0	0	111.5	I51 N52 T55	I51-G57 CarbonylContact C-O 3.59Å; I51-G57 WeakPolarHBondContact CA-O 3.29Å; N52-G57 PolarHBondContact N-O 3.44Å; T55-G57 PolarHBondContact O-N 2.94Å; T55-G57 PolarHBondContact OG1-N 3.06Å
58	T	98.7	Very high	97.8	Very high	58 Å²	58	50.7 Å²	50.7	36%	0.356	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.5	-175.9	51.6	0	0	0	0	111.8	E50 I51 Y60 L70	E50-T58 VanDerWaalsContact O-CA 3.29Å; E50-T58 WeakPolarHBondContact O-CA 3.49Å; I51-T58 HydrophobicContact CB-CG2 3.9Å; I51-T58 HydrophobicContact CD1-CG2 3.8Å; I51-T58 HydrophobicContact CG1-CG2 3.72Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.44Å; T58-L70 HydrophobicContact CG2-CB 3.88Å
59	T	98.6	Very high	97.8	Very high	74 Å²	74	53.5 Å²	53.5	45%	0.454	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.8	170.9	-50.7	0	0	0	0	108.2	W47 G49 E50	W47-T59 HydrophobicContact CH2-CG2 4.04Å; G49-T59 CarbonylContact C-O 3.59Å; G49-T59 WeakPolarHBondContact CA-O 3.47Å; E50-T59 PolarHBondContact N-O 2.81Å; E50-T59 PolarHBondContact O-N 2.82Å
60	Y	98.7	Very high	97.8	Very high	47 Å²	47	53.9 Å²	53.9	18%	0.184	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.9	-176.7	-62.8	-91.9	0	0	0	111.4	T58 A68 L70	T58-Y60 WeakPolarHBondContact OG1-CE2 3.44Å; Y60-A68 HydrophobicContact CD1-CB 4.32Å; Y60-A68 HydrophobicContact CE1-CB 4.14Å; Y60-A68 WeakPolarHBondContact CE1-O 3.28Å; Y60-L70 HydrophobicContact CE1-CD1 4.11Å; Y60-L70 HydrophobicContact CE1-CG 3.7Å; Y60-L70 PolarHBondContact OH-N 2.76Å
61	N	97.8	Very high	97.8	Very high	52 Å²	52	54.6 Å²	54.6	28%	0.278	32%	0.316	S	S	.	.			trans	-66.8	136	156.4	-179.8	-29.5	0	0	0	109.2	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.84Å; W47-N61 HydrophobicContact CZ3-CB 4.09Å; W47-N61 VanDerWaalsContact CZ3-N 3.35Å; W47-N61 WeakPolarHBondContact O-CB 3.23Å; W47-N61 PolarHBondContact O-ND2 2.86Å; I48-N61 PolarHBondContact O-N 2.8Å; N61-K63 PolarHBondContact O-N 2.84Å; N61-K63 VanDerWaalsContact O-N 3.14Å; N61-K63 PolarHBondContact OD1-N 2.75Å; N61-F64 HydrophobicContact CB-CD2 4.02Å; N61-F64 PolarHBondContact O-N 2.87Å; N61-K65 PolarHBondContact O-N 3.26Å
62	Q	97.1	Very high	97.7	Very high	147 Å²	147	56.2 Å²	56.2	69%	0.687	33%	0.326	S	S	*	.	H	α-helix	trans	-53.5	-36.4	-178.3	-66.5	-66.9	-9.3	0	0	113	F64 K65	Q62-F64 PolarHBondContact O-N 2.87Å; Q62-K65 PolarHBondContact O-N 3.5Å
63	K	94.4	Very high	97.7	Very high	118 Å²	118	57.5 Å²	57.5	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-31.3	177.8	-175.6	176.8	175.8	-177.3	0	112.8	E46 N61	E46-K63 VanDerWaalsContact CD-NZ 3.27Å; E46-K63 IonicContact OE1-NZ 3.41Å; E46-K63 PolarHBondContact OE1-NZ 3.27Å; E46-K63 WeakPolarHBondContact OE2-CD 3.33Å; E46-K63 IonicContact OE2-NZ 2.98Å; E46-K63 PolarHBondContact OE2-NZ 3.14Å; N61-K63 PolarHBondContact O-N 2.84Å; N61-K63 VanDerWaalsContact O-N 3.14Å; N61-K63 PolarHBondContact OD1-N 2.75Å
64	F	97.2	Very high	97.6	Very high	3 Å²	3	63 Å²	63	1%	0.013	36%	0.357	C	S	.	.	H	α-helix	trans	-104.7	-16.1	-175.6	-63.4	-82.8	0	0	0	113.5	K38 E46 I48 N61 Q62 A66 K67 A68	K38-F64 HydrophobicContact CB-CZ 4.24Å; K38-F64 HydrophobicContact CD-CE1 3.93Å; K38-F64 HydrophobicContact CD-CZ 3.85Å; E46-F64 HydrophobicContact CB-CE2 4.21Å; E46-F64 HydrophobicContact CB-CZ 4.31Å; I48-F64 HydrophobicContact CB-CB 4.48Å; I48-F64 HydrophobicContact CB-CD2 4.26Å; I48-F64 HydrophobicContact CB-CG 4.17Å; I48-F64 HydrophobicContact CG1-CD1 4.08Å; I48-F64 HydrophobicContact CG1-CD2 4.15Å; I48-F64 HydrophobicContact CG1-CE1 4.07Å; I48-F64 HydrophobicContact CG1-CE2 4.12Å; I48-F64 HydrophobicContact CG1-CG 4.12Å; I48-F64 HydrophobicContact CG1-CZ 4.08Å; I48-F64 HydrophobicContact CG2-CB 3.69Å; I48-F64 HydrophobicContact CG2-CD1 4.1Å; I48-F64 HydrophobicContact CG2-CD2 4.36Å; I48-F64 HydrophobicContact CG2-CG 3.79Å; N61-F64 HydrophobicContact CB-CD2 4.02Å; N61-F64 PolarHBondContact O-N 2.87Å; Q62-F64 PolarHBondContact O-N 2.87Å; F64-A66 PolarHBondContact O-N 2.83Å; F64-K67 PolarHBondContact O-N 2.8Å; F64-A68 HydrophobicContact CB-CB 4.17Å; F64-A68 PolarHBondContact O-N 2.89Å
65	K	96.5	Very high	97.6	Very high	125 Å²	125	65.5 Å²	65.5	54%	0.543	37%	0.374	S	S	.	.	H	α-helix	trans	-52.8	-34.3	-174.5	-171.3	174.2	-177.5	178.2	0	114.2	N61 Q62	N61-K65 PolarHBondContact O-N 3.26Å; Q62-K65 PolarHBondContact O-N 3.5Å
66	A	96.5	Very high	97.6	Very high	75 Å²	75	62.4 Å²	62.4	62%	0.62	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-20.8	178.4	0	0	0	0	0	113.8	F64 K84	F64-A66 PolarHBondContact O-N 2.83Å; A66-K84 WeakPolarHBondContact O-CE 3.49Å; A66-K84 PolarHBondContact O-NZ 2.85Å
67	K	96.2	Very high	97.6	Very high	51 Å²	51	62.5 Å²	62.5	22%	0.222	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-35.1	-172.9	-75.3	-170.2	170.1	-168.4	0	114	F64 L83 K84 T87 D90	F64-K67 PolarHBondContact O-N 2.8Å; K67-L83 WeakPolarHBondContact O-CA 3.48Å; K67-K84 PolarHBondContact O-N 3.23Å; K67-T87 PolarHBondContact NZ-OG1 3.47Å; K67-D90 IonicContact NZ-OD1 2.74Å; K67-D90 PolarHBondContact NZ-OD1 2.98Å; K67-D90 IonicContact NZ-OD2 2.73Å; K67-D90 PolarHBondContact NZ-OD2 2.94Å
68	A	98.4	Very high	97.6	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.9	-173.7	0	0	0	0	0	111.7	I48 Y60 F64 Q82 L83	I48-A68 HydrophobicContact CG2-CB 3.81Å; Y60-A68 HydrophobicContact CD1-CB 4.32Å; Y60-A68 HydrophobicContact CE1-CB 4.14Å; Y60-A68 WeakPolarHBondContact CE1-O 3.28Å; F64-A68 HydrophobicContact CB-CB 4.17Å; F64-A68 PolarHBondContact O-N 2.89Å; A68-Q82 CarbonylContact C-O 3.45Å; A68-Q82 WeakPolarHBondContact CA-O 2.95Å; A68-L83 HydrophobicContact CB-CD2 3.75Å
69	T	98.7	Very high	97.6	Very high	60 Å²	60	58.3 Å²	58.3	37%	0.368	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.3	169.5	-56.9	0	0	0	0	108.6	T71 M81 Q82	T69-T71 HydrophobicContact CG2-CG2 4.2Å; T69-M81 WeakPolarHBondContact O-CA 3.3Å; T69-Q82 PolarHBondContact N-O 3.18Å; T69-Q82 PolarHBondContact O-N 2.81Å
70	L	98.8	Very high	97.6	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133	175.7	-52.6	-176.7	0	0	0	110.1	W36 I51 T58 Y60 Y80 M81	W36-L70 HydrophobicContact CB-CD2 4.5Å; W36-L70 VanDerWaalsContact CD1-CD2 3.46Å; W36-L70 HydrophobicContact CG-CD2 3.96Å; I51-L70 HydrophobicContact CB-CB 4.08Å; I51-L70 HydrophobicContact CB-CD1 4.35Å; I51-L70 HydrophobicContact CD1-CB 4.24Å; I51-L70 HydrophobicContact CG2-CB 4.45Å; T58-L70 HydrophobicContact CG2-CB 3.88Å; Y60-L70 HydrophobicContact CE1-CD1 4.11Å; Y60-L70 HydrophobicContact CE1-CG 3.7Å; Y60-L70 PolarHBondContact OH-N 2.76Å; L70-Y80 WeakPolarHBondContact CA-O 3.43Å; L70-M81 HydrophobicContact CD2-CB 3.68Å; L70-M81 HydrophobicContact CD2-CG 3.61Å; L70-M81 HydrophobicContact CD2-SD 4.26Å
71	T	98.6	Very high	97.6	Very high	61 Å²	61	55 Å²	55	37%	0.374	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.8	176.2	56.7	0	0	0	0	110.9	T69 Y80	T69-T71 HydrophobicContact CG2-CG2 4.2Å; T71-Y80 PolarHBondContact N-O 2.85Å; T71-Y80 PolarHBondContact O-N 2.96Å
72	V	98.4	Very high	97.7	Very high	37 Å²	37	56.6 Å²	56.6	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.6	-178.1	104.9	0	0	0	0	110.9	F29 I51 P53 K74 A79	F29-V72 HydrophobicContact CE1-CG2 3.56Å; F29-V72 HydrophobicContact CZ-CG2 3.32Å; I51-V72 HydrophobicContact CD1-CB 4.04Å; P53-V72 HydrophobicContact CB-CG2 3.94Å; P53-V72 HydrophobicContact CG-CG2 4.42Å; V72-K74 HydrophobicContact CG1-CG 3.97Å; V72-A79 HydrophobicContact CG2-CB 4.15Å
73	D	98.1	Very high	97.7	Very high	52 Å²	52	49.7 Å²	49.7	28%	0.278	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.3	163.8	174.8	8.5	0	0	0	108.5	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.32Å; D73-S75 PolarHBondContact O-N 2.86Å; D73-S75 WeakPolarHBondContact OD1-CB 3.39Å; D73-S75 PolarHBondContact OD1-N 2.02Å; D73-S75 PolarHBondContact OD1-OG 3.03Å; D73-S75 PolarHBondContact OD2-OG 2.8Å; D73-S76 PolarHBondContact OD1-N 3.11Å; D73-S76 WeakPolarHBondContact OD2-CB 3.29Å; D73-S76 PolarHBondContact OD2-OG 2.83Å; D73-S77 PolarHBondContact O-N 3.02Å; D73-S77 VanDerWaalsContact O-N 3.16Å; D73-T78 PolarHBondContact N-O 2.97Å; D73-T78 PolarHBondContact O-N 2.97Å; D73-Y80 HydrophobicContact CB-CE2 3.93Å
74	K	96.4	Very high	97.9	Very high	116 Å²	116	48.7 Å²	48.7	50%	0.504	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.6	-179	-58.9	-178.5	-174.6	-177.8	0	111.8	P53 S54 V72 S76 S77	P53-K74 WeakPolarHBondContact O-CE 3.21Å; S54-K74 WeakPolarHBondContact O-CE 3.22Å; S54-K74 PolarHBondContact O-NZ 2.98Å; V72-K74 HydrophobicContact CG1-CG 3.97Å; K74-S76 VanDerWaalsContact C-N 3.32Å; K74-S76 PolarHBondContact O-N 2.92Å; K74-S77 PolarHBondContact O-N 2.9Å
75	S	96.5	Very high	97.9	Very high	110 Å²	110	52 Å²	52	77%	0.769	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-37.1	-174.5	71.4	0	0	0	0	111.7	D73	D73-S75 VanDerWaalsContact C-N 3.32Å; D73-S75 PolarHBondContact O-N 2.86Å; D73-S75 WeakPolarHBondContact OD1-CB 3.39Å; D73-S75 PolarHBondContact OD1-N 2.02Å; D73-S75 PolarHBondContact OD1-OG 3.03Å; D73-S75 PolarHBondContact OD2-OG 2.8Å
76	S	97.4	Very high	97.9	Very high	38 Å²	38	46.7 Å²	46.7	27%	0.266	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.1	177.4	65.9	0	0	0	0	114.1	D73 K74 T78	D73-S76 PolarHBondContact OD1-N 3.11Å; D73-S76 WeakPolarHBondContact OD2-CB 3.29Å; D73-S76 PolarHBondContact OD2-OG 2.83Å; K74-S76 VanDerWaalsContact C-N 3.32Å; K74-S76 PolarHBondContact O-N 2.92Å; S76-T78 VanDerWaalsContact C-N 3.28Å; S76-T78 PolarHBondContact O-N 2.91Å; S76-T78 PolarHBondContact O-OG1 2.91Å; S76-T78 WeakPolarHBondContact OG-CB 3.38Å; S76-T78 PolarHBondContact OG-OG1 2.86Å; S76-T78 VanDerWaalsContact OG-OG1 3.05Å
77	S	98	Very high	97.8	Very high	39 Å²	39	46 Å²	46	27%	0.273	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	44.7	-171.7	-61.1	0	0	0	0	112.9	A24 D73 K74	A24-S77 PolarHBondContact N-O 3.24Å; D73-S77 PolarHBondContact O-N 3.02Å; D73-S77 VanDerWaalsContact O-N 3.16Å; K74-S77 PolarHBondContact O-N 2.9Å
78	T	98.7	Very high	97.7	Very high	8 Å²	8	48.7 Å²	48.7	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.6	-174.7	-52	0	0	0	0	110.8	C22 K23 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.09Å; K23-T78 HydrophobicContact CB-CG2 4.41Å; D73-T78 PolarHBondContact N-O 2.97Å; D73-T78 PolarHBondContact O-N 2.97Å; S76-T78 VanDerWaalsContact C-N 3.28Å; S76-T78 PolarHBondContact O-N 2.91Å; S76-T78 PolarHBondContact O-OG1 2.91Å; S76-T78 WeakPolarHBondContact OG-CB 3.38Å; S76-T78 PolarHBondContact OG-OG1 2.86Å; S76-T78 VanDerWaalsContact OG-OG1 3.05Å; T78-Y80 HydrophobicContact CG2-CD1 4.34Å; T78-Y80 HydrophobicContact CG2-CD2 4.38Å; T78-Y80 HydrophobicContact CG2-CE1 3.73Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.43Å
79	A	98.7	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	151.7	167.6	0	0	0	0	0	110	S21 C22 F29 M34 W36 V72	S21-A79 CarbonylContact C-O 3.56Å; C22-A79 PolarHBondContact N-O 3.1Å; C22-A79 PolarHBondContact O-N 3.24Å; F29-A79 HydrophobicContact CE2-CB 4.46Å; F29-A79 HydrophobicContact CZ-CB 4.23Å; M34-A79 HydrophobicContact CB-CB 4.19Å; M34-A79 HydrophobicContact CG-CB 3.73Å; W36-A79 HydrophobicContact CZ2-CB 4.23Å; V72-A79 HydrophobicContact CG2-CB 4.15Å
80	Y	98.8	Very high	97.2	Very high	52 Å²	52	53.4 Å²	53.4	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.3	177.8	-55.4	-91.1	0	0	0	110.8	K19 I20 S21 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.43Å; K19-Y80 VanDerWaalsContact CE-CD1 3.42Å; K19-Y80 HydrophobicContact CG-CD1 4.44Å; I20-Y80 CarbonylContact O-C 3.59Å; I20-Y80 VanDerWaalsContact O-CA 3.22Å; I20-Y80 WeakPolarHBondContact O-CA 3.43Å; S21-Y80 VanDerWaalsContact CB-CE1 3.47Å; L70-Y80 WeakPolarHBondContact CA-O 3.43Å; T71-Y80 PolarHBondContact N-O 2.85Å; T71-Y80 PolarHBondContact O-N 2.96Å; D73-Y80 HydrophobicContact CB-CE2 3.93Å; T78-Y80 HydrophobicContact CG2-CD1 4.34Å; T78-Y80 HydrophobicContact CG2-CD2 4.38Å; T78-Y80 HydrophobicContact CG2-CE1 3.73Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.43Å
81	M	98.7	Very high	97	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.6	166.4	178	179.7	68.3	0	0	108.8	I20 W36 I48 T69 L70 L83 Y94	I20-M81 HydrophobicContact CD1-CE 3.72Å; I20-M81 HydrophobicContact CG1-CE 4.45Å; I20-M81 PolarHBondContact N-O 2.88Å; I20-M81 PolarHBondContact O-N 2.86Å; W36-M81 HydrophobicContact CB-SD 3.95Å; W36-M81 HydrophobicContact CD2-CB 3.67Å; W36-M81 HydrophobicContact CD2-CG 4.48Å; W36-M81 HydrophobicContact CD2-SD 4.17Å; W36-M81 HydrophobicContact CE3-CB 3.88Å; W36-M81 HydrophobicContact CE3-CE 3.92Å; W36-M81 HydrophobicContact CE3-SD 4.17Å; W36-M81 HydrophobicContact CG-CB 4.19Å; W36-M81 HydrophobicContact CG-SD 4.11Å; W36-M81 HydrophobicContact CH2-CB 4.12Å; W36-M81 HydrophobicContact CZ2-CB 3.95Å; W36-M81 HydrophobicContact CZ3-CB 4.1Å; W36-M81 HydrophobicContact CZ3-CE 4.4Å; I48-M81 HydrophobicContact CD1-CE 4Å; I48-M81 HydrophobicContact CD1-SD 3.55Å; I48-M81 VanDerWaalsContact CD1-SD 3.55Å; I48-M81 HydrophobicContact CG2-SD 3.93Å; T69-M81 WeakPolarHBondContact O-CA 3.3Å; L70-M81 HydrophobicContact CD2-CB 3.68Å; L70-M81 HydrophobicContact CD2-CG 3.61Å; L70-M81 HydrophobicContact CD2-SD 4.26Å; M81-L83 HydrophobicContact CE-CD1 3.92Å; M81-L83 HydrophobicContact CE-CD2 4.49Å; M81-L83 HydrophobicContact CE-CG 4.1Å; M81-L83 HydrophobicContact CG-CD2 4.43Å; M81-L83 HydrophobicContact CG-CG 4.37Å; M81-L83 HydrophobicContact SD-CD2 4.17Å; M81-L83 HydrophobicContact SD-CG 4.33Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CE1 4.19Å; M81-Y94 HydrophobicContact CE-CG 3.99Å
82	Q	98.6	Very high	96.9	Very high	85 Å²	85	55.7 Å²	55.7	40%	0.397	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128	168.9	-173.5	172.4	6.5	0	0	109.4	V18 A68 T69	V18-Q82 CarbonylContact O-C 3.53Å; V18-Q82 VanDerWaalsContact O-CA 3.29Å; V18-Q82 WeakPolarHBondContact O-CA 3.41Å; V18-Q82 WeakPolarHBondContact O-CG 3.28Å; A68-Q82 CarbonylContact C-O 3.45Å; A68-Q82 WeakPolarHBondContact CA-O 2.95Å; T69-Q82 PolarHBondContact N-O 3.18Å; T69-Q82 PolarHBondContact O-N 2.81Å
83	L	98.3	Very high	96.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.3	170.5	-64.2	170.2	0	0	0	108.4	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.5Å; S17-L83 WeakPolarHBondContact CA-O 3.41Å; S17-L83 VanDerWaalsContact CB-O 3.3Å; S17-L83 WeakPolarHBondContact CB-O 3.23Å; V18-L83 HydrophobicContact CG1-CB 4.01Å; V18-L83 HydrophobicContact CG1-CD1 4.42Å; V18-L83 PolarHBondContact N-O 3.1Å; V18-L83 PolarHBondContact O-N 2.85Å; K67-L83 WeakPolarHBondContact O-CA 3.48Å; A68-L83 HydrophobicContact CB-CD2 3.75Å; M81-L83 HydrophobicContact CE-CD1 3.92Å; M81-L83 HydrophobicContact CE-CD2 4.49Å; M81-L83 HydrophobicContact CE-CG 4.1Å; M81-L83 HydrophobicContact CG-CD2 4.43Å; M81-L83 HydrophobicContact CG-CG 4.37Å; M81-L83 HydrophobicContact SD-CD2 4.17Å; M81-L83 HydrophobicContact SD-CG 4.33Å; L83-L86 HydrophobicContact CB-CD2 3.74Å; L83-L86 HydrophobicContact CD1-CD2 4.43Å; L83-Y94 HydrophobicContact CD1-CD1 4.18Å; L83-Y94 HydrophobicContact CD1-CE1 3.49Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.49Å; L83-Y94 HydrophobicContact CD1-CE2 4.04Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.49Å
84	K	97.6	Very high	96.8	Very high	96 Å²	96	56.2 Å²	56.2	42%	0.417	32%	0.323	S	S	.	.			trans	-115.9	160.6	179.4	72.1	-172.8	174.2	-179.3	0	112.4	S17 A66 K67 L86	S17-K84 WeakPolarHBondContact OG-CA 3.22Å; S17-K84 WeakPolarHBondContact OG-CB 3.41Å; A66-K84 WeakPolarHBondContact O-CE 3.49Å; A66-K84 PolarHBondContact O-NZ 2.85Å; K67-K84 PolarHBondContact O-N 3.23Å; K84-L86 VanDerWaalsContact C-N 3.32Å; K84-L86 PolarHBondContact O-N 2.85Å
85	S	97	Very high	96.8	Very high	72 Å²	72	55.3 Å²	55.3	50%	0.503	32%	0.317	S	S	.	.	S	Bend	trans	53.9	49.8	176.3	-55.5	0	0	0	0	111.9	A16	A16-S85 PolarHBondContact O-N 3.41Å
86	L	96.8	Very high	96.9	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.073	28%	0.283	C	S	.	.			trans	-62.4	139	-172.4	-67.6	168.6	0	0	0	112.3	V12 G15 A16 V18 L83 K84 D90	V12-L86 HydrophobicContact CB-CD1 4.46Å; V12-L86 HydrophobicContact CG2-CD1 3.35Å; G15-L86 PolarHBondContact N-O 3.22Å; A16-L86 WeakPolarHBondContact O-CG 3.38Å; A16-L86 PolarHBondContact O-N 2.77Å; V18-L86 HydrophobicContact CB-CD1 4.07Å; V18-L86 HydrophobicContact CG1-CD1 3.87Å; V18-L86 HydrophobicContact CG1-CD2 4.36Å; L83-L86 HydrophobicContact CB-CD2 3.74Å; L83-L86 HydrophobicContact CD1-CD2 4.43Å; K84-L86 VanDerWaalsContact C-N 3.32Å; K84-L86 PolarHBondContact O-N 2.85Å; L86-D90 WeakPolarHBondContact CA-OD2 3.43Å; L86-D90 HydrophobicContact CD2-CB 3.73Å
87	T	95.8	Very high	96.9	Very high	62 Å²	62	50.6 Å²	50.6	38%	0.38	29%	0.286	S	S	.	.			trans	-115.6	172.1	172	61.9	0	0	0	0	110.4	K67 E89 D90	K67-T87 PolarHBondContact NZ-OG1 3.47Å; T87-E89 PolarHBondContact O-N 3.41Å; T87-D90 PolarHBondContact N-OD2 3.16Å; T87-D90 WeakPolarHBondContact O-CB 3.27Å; T87-D90 PolarHBondContact O-N 3.23Å; T87-D90 PolarHBondContact OG1-OD2 3.08Å
88	S	93.1	Very high	96.6	Very high	107 Å²	107	54.5 Å²	54.5	75%	0.748	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.1	174.6	48.7	0	0	0	0	112.6	D90 S91	S88-D90 PolarHBondContact O-N 3.17Å; S88-S91 VanDerWaalsContact O-CB 3.3Å; S88-S91 WeakPolarHBondContact O-CB 3.47Å; S88-S91 PolarHBondContact O-N 3.41Å; S88-S91 VanDerWaalsContact O-N 3.09Å
89	E	91.8	Very high	96.5	Very high	146 Å²	146	56.8 Å²	56.8	68%	0.682	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.2	-21.6	175.5	-63.1	176.2	-176.1	0	0	113	K38 T87 S91	K38-E89 PolarHBondContact NZ-O 2.97Å; T87-E89 PolarHBondContact O-N 3.41Å; E89-S91 PolarHBondContact O-N 3.27Å
90	D	94.6	Very high	96.4	Very high	16 Å²	16	59.8 Å²	59.8	9%	0.086	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-82	-1.3	177.2	-61.4	-47.1	0	0	0	112.4	K67 L86 T87 S88 A92 Y94	K67-D90 IonicContact NZ-OD1 2.74Å; K67-D90 PolarHBondContact NZ-OD1 2.98Å; K67-D90 IonicContact NZ-OD2 2.73Å; K67-D90 PolarHBondContact NZ-OD2 2.94Å; L86-D90 WeakPolarHBondContact CA-OD2 3.43Å; L86-D90 HydrophobicContact CD2-CB 3.73Å; T87-D90 PolarHBondContact N-OD2 3.16Å; T87-D90 WeakPolarHBondContact O-CB 3.27Å; T87-D90 PolarHBondContact O-N 3.23Å; T87-D90 PolarHBondContact OG1-OD2 3.08Å; S88-D90 PolarHBondContact O-N 3.17Å; D90-A92 PolarHBondContact O-N 2.6Å; D90-A92 VanDerWaalsContact O-N 3.1Å; D90-Y94 WeakPolarHBondContact O-CE2 3.36Å; D90-Y94 PolarHBondContact O-OH 3.05Å
91	S	94.8	Very high	96.2	Very high	89 Å²	89	60.2 Å²	60.2	62%	0.622	33%	0.33	S	S	*	.			trans	-69.1	107.9	171	-165.9	0	0	0	0	110.2	S88 E89	S88-S91 VanDerWaalsContact O-CB 3.3Å; S88-S91 WeakPolarHBondContact O-CB 3.47Å; S88-S91 PolarHBondContact O-N 3.41Å; S88-S91 VanDerWaalsContact O-N 3.09Å; E89-S91 PolarHBondContact O-N 3.27Å
92	A	96	Very high	96.1	Very high	29 Å²	29	63.8 Å²	63.8	24%	0.24	35%	0.349	C	S	.	.	S	Bend	trans	-163.2	168.7	-173.1	0	0	0	0	0	110.5	K38 Q39 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.07Å; K38-A92 HydrophobicContact CG-CB 3.51Å; Q39-A92 VanDerWaalsContact O-CB 3.26Å; Q39-A92 WeakPolarHBondContact O-CB 2.8Å; D90-A92 PolarHBondContact O-N 2.6Å; D90-A92 VanDerWaalsContact O-N 3.1Å; A92-Y94 HydrophobicContact CB-CE2 3.97Å
93	V	96.7	Very high	95.9	Very high	73 Å²	73	62.4 Å²	62.4	44%	0.442	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.7	162.8	-171.1	0	0	0	0	108.2	Q39 Y95	Q39-V93 HydrophobicContact CB-CB 4.4Å; Q39-V93 PolarHBondContact N-O 3.49Å; Q39-V93 PolarHBondContact O-N 2.98Å; V93-Y95 HydrophobicContact CB-CE2 3.93Å; V93-Y95 HydrophobicContact CG1-CD2 4.25Å; V93-Y95 HydrophobicContact CG1-CE1 3.87Å; V93-Y95 HydrophobicContact CG1-CE2 3.54Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.47Å
94	Y	97.7	Very high	95.8	Very high	27 Å²	27	66.5 Å²	66.5	11%	0.106	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.3	178.4	-68.8	-85.8	0	0	0	109	Q6 I20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.44Å; I20-Y94 HydrophobicContact CD1-CD2 3.89Å; I20-Y94 HydrophobicContact CD1-CG 3.78Å; V37-Y94 CarbonylContact O-C 3.59Å; V37-Y94 WeakPolarHBondContact O-CA 3.4Å; K38-Y94 HydrophobicContact CB-CD1 4.09Å; K38-Y94 HydrophobicContact CB-CE1 3.85Å; K38-Y94 HydrophobicContact CD-CE1 4.07Å; K38-Y94 HydrophobicContact CG-CD1 4.22Å; K38-Y94 HydrophobicContact CG-CE1 3.69Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.79Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CE1 4.19Å; M81-Y94 HydrophobicContact CE-CG 3.99Å; L83-Y94 HydrophobicContact CD1-CD1 4.18Å; L83-Y94 HydrophobicContact CD1-CE1 3.49Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.49Å; L83-Y94 HydrophobicContact CD1-CE2 4.04Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.49Å; D90-Y94 WeakPolarHBondContact O-CE2 3.36Å; D90-Y94 PolarHBondContact O-OH 3.05Å; A92-Y94 HydrophobicContact CB-CE2 3.97Å
95	Y	97.7	Very high	95.7	Very high	97 Å²	97	64.4 Å²	64.4	38%	0.38	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.8	-179.3	-64.1	-75.7	0	0	0	110.5	W36 V37 Q39 V93	W36-Y95 CarbonylContact C-O 3.59Å; W36-Y95 WeakPolarHBondContact CA-O 3.4Å; V37-Y95 PolarHBondContact N-O 3.41Å; V37-Y95 PolarHBondContact O-N 3.47Å; Q39-Y95 HydrophobicContact CB-CD2 4.2Å; Q39-Y95 HydrophobicContact CB-CE2 3.77Å; Q39-Y95 PolarHBondContact OE1-OH 3.5Å; V93-Y95 HydrophobicContact CB-CE2 3.93Å; V93-Y95 HydrophobicContact CG1-CD2 4.25Å; V93-Y95 HydrophobicContact CG1-CE1 3.87Å; V93-Y95 HydrophobicContact CG1-CE2 3.54Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.47Å
96	C	98.5	Very high	95.6	Very high	10 Å²	10	63.8 Å²	63.8	7%	0.068	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.3	157.5	63.7	0	0	0	0	109.5	Q6 C22 M34 N35 W36	Q6-C96 WeakPolarHBondContact CG-SG 3.15Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.34Å; C22-C96 WeakPolarHBondContact SG-CB 3.37Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.93Å; M34-C96 HydrophobicContact CG-CB 4.42Å; M34-C96 HydrophobicContact SD-CB 3.78Å; N35-C96 CarbonylContact O-C 3.54Å; N35-C96 VanDerWaalsContact O-CA 3.28Å; N35-C96 WeakPolarHBondContact O-CA 3.34Å; W36-C96 HydrophobicContact CD2-CB 4.25Å; W36-C96 HydrophobicContact CE3-CB 4.02Å; W36-C96 HydrophobicContact CH2-CB 4Å; W36-C96 HydrophobicContact CZ2-CB 4.2Å; W36-C96 HydrophobicContact CZ3-CB 3.89Å
97	A	97.4	Very high	95.5	Very high	39 Å²	39	67.9 Å²	67.9	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.5	177.8	0	0	0	0	0	110.2	M34 N35	M34-A97 VanDerWaalsContact SD-O 3.38Å; N35-A97 HydrophobicContact CB-CB 4.33Å; N35-A97 WeakPolarHBondContact CB-O 3.42Å; N35-A97 PolarHBondContact N-O 2.64Å; N35-A97 PolarHBondContact O-N 2.68Å
98	R	91.5	Very high	95.4	Very high	120 Å²	120	68.5 Å²	68.5	45%	0.453	38%	0.377	S	S	.	.			trans	-107.2	0	170.2	-177.1	-151.8	68.8	-166.3	-0.9	109.4	L4 Y27 Y32	L4-R98 HydrophobicContact CD1-CB 4.41Å; Y27-R98 VanDerWaalsContact CB-NH1 3.31Å; Y27-R98 VanDerWaalsContact CD1-NH1 3.32Å; Y27-R98 VanDerWaalsContact CD2-CD 3.46Å; Y27-R98 HydrophobicContact CE2-CG 3.86Å; Y27-R98 VanDerWaalsContact CZ-CD 3.4Å; Y32-R98 HydrophobicContact CD1-CG 4.44Å; Y32-R98 HydrophobicContact CG-CG 4.07Å

Retrieved 98 of 98 residues in 167.4 ms (Link to these results)

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