A0A075B5U0_MOUSE Loading...

Immunoglobulin heavy variable V1-12

AlphaFold DB , UniProt , Accession A0A075B5U0, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-12, Length 98 aa.

						>A0A075B5U0_MOUSE|A0A075B5U0|Ighv1-12
QAYLQQSGAELVRPGASVKMSCKASGYTFTSYNMHWVKQTPRQGLEWIGAIYPGNGDTSYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYFCAR
					

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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	Q	81.6	Confident	95.1	Very high	221 Å²	221	103.2 Å²	103.2	100%	1.033	57%	0.574	S	S	*	*				0	140.4	0	-169.2	166.9	7.5	0	0	108.5
2	A	91.6	Very high	95.1	Very high	39 Å²	39	99.4 Å²	99.4	32%	0.322	56%	0.555	S	S	.	*			trans	-84.4	136.3	179.9	0	0	0	0	0	110.9	S25 Y27	A2-S25 WeakPolarHBondContact CA-O 3.4Å; A2-Y27 HydrophobicContact CB-CD1 3.75Å; A2-Y27 HydrophobicContact CB-CG 4.39Å
3	Y	96.2	Very high	95.1	Very high	137 Å²	137	108 Å²	108	54%	0.537	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152	163.8	175.7	66.2	-86.6	0	0	0	111.7	S25	Y3-S25 VanDerWaalsContact CZ-CB 3.44Å; Y3-S25 PolarHBondContact N-O 3.48Å; Y3-S25 PolarHBondContact O-N 2.99Å
4	L	98.2	Very high	95.1	Very high	54 Å²	54	108.1 Å²	108.1	28%	0.283	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.1	138.1	179.4	-59.9	-179.8	0	0	0	110	K23 A24 Y27 M34 R98	L4-K23 CarbonylContact C-O 3.6Å; L4-K23 WeakPolarHBondContact CA-O 3.5Å; L4-A24 HydrophobicContact CD2-CB 4.05Å; L4-Y27 HydrophobicContact CD2-CE1 4.08Å; L4-Y27 WeakPolarHBondContact CD2-OH 3.2Å; L4-M34 HydrophobicContact CD1-CE 4.35Å; L4-M34 HydrophobicContact CD1-SD 4.03Å; L4-M34 HydrophobicContact CD2-CE 3.8Å; L4-R98 HydrophobicContact CD1-CB 4.3Å
5	Q	98.4	Very high	95.3	Very high	122 Å²	122	104.6 Å²	104.6	57%	0.57	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117	115.1	175.3	-175.6	175.5	4.6	0	0	109.9	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.43Å; Q5-K23 HydrophobicContact CB-CB 4.47Å; Q5-K23 PolarHBondContact N-O 3.12Å; Q5-K23 PolarHBondContact O-N 3.19Å
6	Q	98.5	Very high	95.4	Very high	67 Å²	67	100.3 Å²	100.3	31%	0.313	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	152.8	179.7	-74	-174	-126.2	0	0	112.7	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.58Å; Q6-S21 VanDerWaalsContact CA-O 3.28Å; Q6-S21 WeakPolarHBondContact CA-O 3.04Å; Q6-C22 HydrophobicContact CG-CB 4.44Å; Q6-Y94 PolarHBondContact NE2-O 3.06Å; Q6-C96 VanDerWaalsContact CD-SG 3.58Å; Q6-C96 HydrophobicContact CG-CB 4.45Å; Q6-C96 WeakPolarHBondContact CG-SG 3.24Å
7	S	97.6	Very high	95.6	Very high	35 Å²	35	97.9 Å²	97.9	25%	0.245	56%	0.556	C	S	.	*			trans	-59.8	153.9	163.6	56.2	0	0	0	0	111.4	M20 S21	S7-M20 VanDerWaalsContact OG-CA 3.29Å; S7-M20 WeakPolarHBondContact OG-CA 3.42Å; S7-S21 PolarHBondContact N-O 3.11Å; S7-S21 PolarHBondContact OG-N 3.29Å
8	G	95.9	Very high	95.7	Very high	63 Å²	63	93.3 Å²	93.3	65%	0.649	53%	0.53	S	S	*	.			trans	-70	179.1	178.4	0	0	0	0	0	113.9
9	A	95.9	Very high	95.8	Very high	112 Å²	112	94.1 Å²	94.1	93%	0.926	53%	0.527	S	S	*	.			trans	-69.1	144.9	175.1	0	0	0	0	0	111.4
10	E	95.9	Very high	95.9	Very high	107 Å²	107	90.2 Å²	90.2	50%	0.5	50%	0.504	S	S	.	.			trans	-126.8	133.6	177.1	-68.6	-171.1	-148.2	0	0	110.6	V12 V18	E10-V12 HydrophobicContact CB-CG1 4.37Å; E10-V18 HydrophobicContact CB-CG2 4.03Å; E10-V18 HydrophobicContact CG-CG2 4.31Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.32Å
11	L	96.1	Very high	96.1	Very high	178 Å²	178	87.5 Å²	87.5	93%	0.932	49%	0.492	S	S	*	.			trans	-101.3	113.7	171.8	-178.6	62.7	0	0	0	108.8
12	V	95.2	Very high	96.9	Very high	58 Å²	58	77 Å²	77	35%	0.352	44%	0.443	S	S	.	.			trans	-130.7	160.3	-175.5	-63.4	0	0	0	0	111	E10 A16 L86	E10-V12 HydrophobicContact CB-CG1 4.37Å; V12-A16 HydrophobicContact CB-CB 4.34Å; V12-L86 HydrophobicContact CB-CD1 4.49Å; V12-L86 HydrophobicContact CG2-CD1 3.33Å
13	R	95.4	Very high	97.2	Very high	211 Å²	211	79.7 Å²	79.7	80%	0.796	45%	0.447	S	S	*	.			trans	-83.3	153.8	-179.6	-61.5	-179.9	-176.1	178.3	0.5	111.1	A16	R13-A16 WeakPolarHBondContact O-CB 3.41Å; R13-A16 PolarHBondContact O-N 2.76Å; R13-A16 VanDerWaalsContact O-N 3.15Å
14	P	95.7	Very high	97.3	Very high	110 Å²	110	73.4 Å²	73.4	71%	0.714	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	144.8	167.7	-25	34.8	0	0	0	111.9	A16 L86	P14-A16 PolarHBondContact O-N 2.8Å; P14-L86 CarbonylContact C-O 3.54Å; P14-L86 WeakPolarHBondContact CA-O 3.28Å
15	G	97	Very high	97.3	Very high	55 Å²	55	72.2 Å²	72.2	57%	0.567	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-16.4	-174.5	0	0	0	0	0	114.7	L86	G15-L86 PolarHBondContact N-O 3.47Å
16	A	97.8	Very high	97.2	Very high	35 Å²	35	69.2 Å²	69.2	29%	0.289	42%	0.422	S	S	.	.			trans	-70.4	175.5	176.7	0	0	0	0	0	112.1	V12 R13 P14 S85 L86	V12-A16 HydrophobicContact CB-CB 4.34Å; R13-A16 WeakPolarHBondContact O-CB 3.41Å; R13-A16 PolarHBondContact O-N 2.76Å; R13-A16 VanDerWaalsContact O-N 3.15Å; P14-A16 PolarHBondContact O-N 2.8Å; A16-S85 PolarHBondContact O-N 2.8Å; A16-L86 VanDerWaalsContact O-CG 3.31Å; A16-L86 WeakPolarHBondContact O-CG 3.43Å; A16-L86 PolarHBondContact O-N 2.99Å
17	S	97.7	Very high	97.1	Very high	60 Å²	60	68.1 Å²	68.1	42%	0.42	42%	0.415	S	S	.	.			trans	-117.4	152.4	168.9	-58.2	0	0	0	0	110.2	L83 S84	S17-L83 CarbonylContact C-O 3.54Å; S17-L83 WeakPolarHBondContact CA-O 3.14Å; S17-L83 WeakPolarHBondContact CB-O 3.38Å; S17-S84 WeakPolarHBondContact OG-CA 3.33Å
18	V	98	Very high	97.1	Very high	16 Å²	16	70.4 Å²	70.4	10%	0.097	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143	174.5	63.1	0	0	0	0	109.5	E10 M20 Q82 L83 L86	E10-V18 HydrophobicContact CB-CG2 4.03Å; E10-V18 HydrophobicContact CG-CG2 4.31Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.32Å; V18-M20 HydrophobicContact CG1-CE 4.08Å; V18-Q82 CarbonylContact O-C 3.57Å; V18-Q82 VanDerWaalsContact O-CA 3.27Å; V18-Q82 WeakPolarHBondContact O-CA 3.29Å; V18-L83 HydrophobicContact CG1-CB 3.97Å; V18-L83 HydrophobicContact CG1-CD1 4.43Å; V18-L83 PolarHBondContact N-O 2.77Å; V18-L83 PolarHBondContact O-N 2.85Å; V18-L86 HydrophobicContact CB-CD1 4.09Å; V18-L86 HydrophobicContact CG1-CD1 3.82Å; V18-L86 HydrophobicContact CG1-CD2 4.26Å
19	K	98.2	Very high	97.1	Very high	107 Å²	107	67.8 Å²	67.8	47%	0.465	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111	178	-174.4	-179.7	-179.5	-178.6	0	110.3	Y80 M81 Q82	K19-Y80 HydrophobicContact CD-CD1 4.49Å; K19-Y80 HydrophobicContact CG-CD1 4.47Å; K19-M81 CarbonylContact C-O 3.53Å; K19-M81 WeakPolarHBondContact CA-O 3.31Å; K19-Q82 HydrophobicContact CB-CB 4.5Å; K19-Q82 HydrophobicContact CG-CB 4.43Å
20	M	98.3	Very high	97.2	Very high	16 Å²	16	65 Å²	65	8%	0.079	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	149.3	176.3	-62	138.2	-67	0	0	110.5	S7 V18 W36 Y80 M81 L83 Y94	S7-M20 VanDerWaalsContact OG-CA 3.29Å; S7-M20 WeakPolarHBondContact OG-CA 3.42Å; V18-M20 HydrophobicContact CG1-CE 4.08Å; M20-W36 HydrophobicContact CB-CH2 4.09Å; M20-W36 HydrophobicContact CB-CZ3 3.99Å; M20-Y80 VanDerWaalsContact O-CA 3.24Å; M20-Y80 WeakPolarHBondContact O-CA 3.24Å; M20-M81 HydrophobicContact CE-CB 4.15Å; M20-M81 HydrophobicContact CE-CE 3.3Å; M20-M81 HydrophobicContact CE-CG 3.97Å; M20-M81 WeakPolarHBondContact CE-O 2.89Å; M20-M81 HydrophobicContact CE-SD 4.46Å; M20-M81 PolarHBondContact N-O 2.9Å; M20-M81 PolarHBondContact O-N 3.29Å; M20-M81 HydrophobicContact SD-CE 3.62Å; M20-L83 HydrophobicContact CE-CD1 4Å; M20-L83 HydrophobicContact CE-CG 3.99Å; M20-Y94 HydrophobicContact SD-CD2 4.25Å; M20-Y94 HydrophobicContact SD-CG 4Å
21	S	98.6	Very high	97.3	Very high	35 Å²	35	62.8 Å²	62.8	25%	0.245	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153	174.5	69.5	0	0	0	0	111.4	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.58Å; Q6-S21 VanDerWaalsContact CA-O 3.28Å; Q6-S21 WeakPolarHBondContact CA-O 3.04Å; S7-S21 PolarHBondContact N-O 3.11Å; S7-S21 PolarHBondContact OG-N 3.29Å; S21-A79 CarbonylContact C-O 3.56Å; S21-A79 WeakPolarHBondContact CA-O 3.46Å; S21-Y80 VanDerWaalsContact CB-CE1 3.43Å
22	C	98.8	Very high	97.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	103.7	175.3	179.6	0	0	0	0	109.5	Q5 Q6 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.43Å; Q6-C22 HydrophobicContact CG-CB 4.44Å; C22-W36 HydrophobicContact CB-CH2 3.66Å; C22-W36 HydrophobicContact CB-CZ2 3.76Å; C22-T78 WeakPolarHBondContact O-CA 3.28Å; C22-A79 PolarHBondContact N-O 3.05Å; C22-A79 PolarHBondContact O-N 2.99Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.24Å; C22-C96 WeakPolarHBondContact SG-CB 3.35Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 2.83Å
23	K	98.6	Very high	97.4	Very high	95 Å²	95	60 Å²	60	41%	0.413	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.9	-179.9	-173.7	175.9	-178	178	0	110.7	L4 Q5 T78	L4-K23 CarbonylContact C-O 3.6Å; L4-K23 WeakPolarHBondContact CA-O 3.5Å; Q5-K23 HydrophobicContact CB-CB 4.47Å; Q5-K23 PolarHBondContact N-O 3.12Å; Q5-K23 PolarHBondContact O-N 3.19Å; K23-T78 HydrophobicContact CB-CG2 4.43Å
24	A	98.3	Very high	97.6	Very high	6 Å²	6	50 Å²	50	5%	0.05	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	177.8	0	0	0	0	0	111.7	L4 Y27 F29 S77	L4-A24 HydrophobicContact CD2-CB 4.05Å; A24-Y27 HydrophobicContact CB-CE1 3.63Å; A24-Y27 HydrophobicContact CB-CE2 4.35Å; A24-Y27 VanDerWaalsContact CB-CZ 3.44Å; A24-Y27 WeakPolarHBondContact CB-OH 3.31Å; A24-F29 HydrophobicContact CB-CB 4.18Å; A24-F29 HydrophobicContact CB-CD2 3.39Å; A24-F29 HydrophobicContact CB-CE2 4.06Å; A24-F29 HydrophobicContact CB-CG 4.07Å; A24-S77 PolarHBondContact N-O 3.15Å
25	S	98	Very high	97.7	Very high	28 Å²	28	47.8 Å²	47.8	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.1	175.4	-68.9	0	0	0	0	110.9	A2 Y3 Y27	A2-S25 WeakPolarHBondContact CA-O 3.4Å; Y3-S25 VanDerWaalsContact CZ-CB 3.44Å; Y3-S25 PolarHBondContact N-O 3.48Å; Y3-S25 PolarHBondContact O-N 2.99Å; S25-Y27 WeakPolarHBondContact O-CD1 3.44Å
26	G	97	Very high	97.8	Very high	59 Å²	59	45.1 Å²	45.1	61%	0.608	26%	0.258	S	S	*	.	S	Bend	trans	79.7	18.9	172.5	0	0	0	0	0	115.8
27	Y	95.4	Very high	97.8	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.173	25%	0.251	C	S	.	.	S	Bend	trans	-160.1	169.1	170.5	67.7	-81.7	0	0	0	111.3	A2 L4 A24 S25 F29 Y32 R98	A2-Y27 HydrophobicContact CB-CD1 3.75Å; A2-Y27 HydrophobicContact CB-CG 4.39Å; L4-Y27 HydrophobicContact CD2-CE1 4.08Å; L4-Y27 WeakPolarHBondContact CD2-OH 3.2Å; A24-Y27 HydrophobicContact CB-CE1 3.63Å; A24-Y27 HydrophobicContact CB-CE2 4.35Å; A24-Y27 VanDerWaalsContact CB-CZ 3.44Å; A24-Y27 WeakPolarHBondContact CB-OH 3.31Å; S25-Y27 WeakPolarHBondContact O-CD1 3.44Å; Y27-F29 PolarHBondContact O-N 2.97Å; Y27-Y32 AromaticContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CE2 4.18Å; Y27-Y32 HydrophobicContact CE2-CD2 4.06Å; Y27-R98 VanDerWaalsContact CB-NH1 3.28Å; Y27-R98 HydrophobicContact CE2-CG 4.01Å
28	T	96.8	Very high	97.8	Very high	84 Å²	84	42.2 Å²	42.2	52%	0.515	23%	0.233	S	C	.	.			trans	-72.4	97.2	174.6	-49.9	0	0	0	0	110.5	T30 S31	T28-T30 PolarHBondContact O-N 2.77Å; T28-T30 VanDerWaalsContact O-N 3.14Å; T28-S31 VanDerWaalsContact CG2-OG 3.24Å; T28-S31 WeakPolarHBondContact CG2-OG 3.12Å; T28-S31 PolarHBondContact O-N 3.34Å
29	F	97.1	Very high	97.8	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.035	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-52.3	-36.6	-177.3	175.2	-120.8	0	0	0	113.5	A24 Y27 S31 M34 P53 V72 S77 A79	A24-F29 HydrophobicContact CB-CB 4.18Å; A24-F29 HydrophobicContact CB-CD2 3.39Å; A24-F29 HydrophobicContact CB-CE2 4.06Å; A24-F29 HydrophobicContact CB-CG 4.07Å; Y27-F29 PolarHBondContact O-N 2.97Å; F29-S31 PolarHBondContact O-N 2.83Å; F29-M34 HydrophobicContact CE2-CE 3.96Å; F29-P53 HydrophobicContact CD1-CB 3.89Å; F29-P53 HydrophobicContact CD1-CG 4.39Å; F29-P53 HydrophobicContact CD2-CB 4.49Å; F29-P53 HydrophobicContact CD2-CG 4.12Å; F29-P53 HydrophobicContact CE1-CB 3.56Å; F29-P53 HydrophobicContact CE1-CG 4.02Å; F29-P53 HydrophobicContact CE2-CB 4.19Å; F29-P53 HydrophobicContact CE2-CG 3.7Å; F29-P53 HydrophobicContact CG-CB 4.37Å; F29-P53 HydrophobicContact CG-CG 4.47Å; F29-P53 HydrophobicContact CZ-CB 3.73Å; F29-P53 HydrophobicContact CZ-CG 3.65Å; F29-P53 WeakPolarHBondContact O-CG 3.18Å; F29-V72 HydrophobicContact CE1-CB 4.38Å; F29-V72 HydrophobicContact CE1-CG1 4.41Å; F29-V72 HydrophobicContact CZ-CB 4.37Å; F29-V72 HydrophobicContact CZ-CG1 3.97Å; F29-S77 VanDerWaalsContact CD1-CA 3.49Å; F29-A79 HydrophobicContact CE2-CB 4.35Å; F29-A79 HydrophobicContact CZ-CB 4.15Å
30	T	98	Very high	97.6	Very high	52 Å²	52	41.2 Å²	41.2	32%	0.319	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-75.7	-5	-178.5	52.2	0	0	0	0	115	T28 Y52 G54 K74	T28-T30 PolarHBondContact O-N 2.77Å; T28-T30 VanDerWaalsContact O-N 3.14Å; T30-Y52 PolarHBondContact O-OH 3.04Å; T30-G54 VanDerWaalsContact O-CA 3.24Å; T30-G54 WeakPolarHBondContact O-CA 3.46Å; T30-G54 PolarHBondContact O-N 3.37Å; T30-K74 HydrophobicContact CG2-CD 4.26Å; T30-K74 HydrophobicContact CG2-CG 4.45Å
31	S	97	Very high	97.2	Very high	61 Å²	61	46.9 Å²	46.9	43%	0.427	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-101.6	-1.5	-176.8	-57.2	0	0	0	0	114.6	T28 F29	T28-S31 VanDerWaalsContact CG2-OG 3.24Å; T28-S31 WeakPolarHBondContact CG2-OG 3.12Å; T28-S31 PolarHBondContact O-N 3.34Å; F29-S31 PolarHBondContact O-N 2.83Å
32	Y	96.4	Very high	96.7	Very high	115 Å²	115	56.6 Å²	56.6	45%	0.451	30%	0.3	S	S	.	.	S	Bend	trans	-137.1	145	-176.4	-64.3	-90.5	0	0	0	111.5	Y27 P53 R98	Y27-Y32 AromaticContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CE2 4.18Å; Y27-Y32 HydrophobicContact CE2-CD2 4.06Å; Y32-P53 WeakPolarHBondContact O-CD 3.38Å; Y32-R98 HydrophobicContact CD1-CG 4.37Å; Y32-R98 HydrophobicContact CG-CG 4.01Å
33	N	97.9	Very high	96.1	Very high	64 Å²	64	63.3 Å²	63.3	34%	0.342	33%	0.331	S	S	.	.			trans	-64.9	144.3	171	-79.7	-73.8	0	0	0	110.9	Y52	N33-Y52 WeakPolarHBondContact OD1-CA 3.4Å; N33-Y52 VanDerWaalsContact OD1-CB 3.31Å; N33-Y52 WeakPolarHBondContact OD1-CB 3.41Å; N33-Y52 PolarHBondContact OD1-N 2.6Å
34	M	98.4	Very high	95.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.3	164.8	-174.1	67.8	63	0	0	108.9	L4 F29 A50 I51 A79 C96 A97	L4-M34 HydrophobicContact CD1-CE 4.35Å; L4-M34 HydrophobicContact CD1-SD 4.03Å; L4-M34 HydrophobicContact CD2-CE 3.8Å; F29-M34 HydrophobicContact CE2-CE 3.96Å; M34-A50 CarbonylContact O-C 3.59Å; M34-A50 WeakPolarHBondContact O-CA 3.33Å; M34-I51 HydrophobicContact CB-CG2 4.08Å; M34-I51 PolarHBondContact N-O 2.87Å; M34-I51 PolarHBondContact O-N 3.27Å; M34-A79 HydrophobicContact CB-CB 4Å; M34-A79 HydrophobicContact CE-CB 4.36Å; M34-A79 HydrophobicContact CG-CB 3.63Å; M34-C96 HydrophobicContact CG-CB 4.38Å; M34-C96 HydrophobicContact SD-CB 3.77Å; M34-A97 VanDerWaalsContact SD-O 3.4Å
35	H	98.7	Very high	95.8	Very high	62 Å²	62	65.8 Å²	65.8	29%	0.287	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	145.9	176.2	-64.8	-102.1	0	0	0	110.4	W47 G49 C96 A97	H35-W47 AromaticContact ND1-CD1 3.99Å; H35-W47 AromaticContact ND1-NE1 3.24Å; H35-W47 PolarHBondContact ND1-NE1 2.72Å; H35-G49 WeakPolarHBondContact CA-O 3.36Å; H35-C96 CarbonylContact O-C 3.58Å; H35-C96 WeakPolarHBondContact O-CA 3.13Å; H35-A97 HydrophobicContact CB-CB 4.47Å; H35-A97 PolarHBondContact N-O 3.13Å; H35-A97 PolarHBondContact O-N 3.34Å
36	W	98.8	Very high	95.7	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.6	170.6	-68.4	89.8	0	0	0	110.1	M20 C22 I48 G49 L70 A79 M81 F95 C96	M20-W36 HydrophobicContact CB-CH2 4.09Å; M20-W36 HydrophobicContact CB-CZ3 3.99Å; C22-W36 HydrophobicContact CB-CH2 3.66Å; C22-W36 HydrophobicContact CB-CZ2 3.76Å; W36-I48 HydrophobicContact CB-CB 4.23Å; W36-I48 HydrophobicContact CB-CD1 4.39Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 3.27Å; W36-G49 PolarHBondContact N-O 2.98Å; W36-L70 VanDerWaalsContact CD1-CD2 3.49Å; W36-L70 HydrophobicContact CG-CD2 4.06Å; W36-A79 HydrophobicContact CZ2-CB 4.43Å; W36-M81 HydrophobicContact CB-CE 4.43Å; W36-M81 HydrophobicContact CB-SD 3.68Å; W36-M81 HydrophobicContact CD2-CB 3.59Å; W36-M81 HydrophobicContact CD2-CE 4.25Å; W36-M81 HydrophobicContact CD2-CG 4.41Å; W36-M81 HydrophobicContact CD2-SD 4.03Å; W36-M81 HydrophobicContact CE3-CB 3.88Å; W36-M81 HydrophobicContact CE3-CE 3.72Å; W36-M81 HydrophobicContact CE3-SD 4.13Å; W36-M81 HydrophobicContact CG-CB 4.05Å; W36-M81 HydrophobicContact CG-SD 3.86Å; W36-M81 HydrophobicContact CH2-CB 4.15Å; W36-M81 HydrophobicContact CZ2-CB 3.91Å; W36-M81 HydrophobicContact CZ3-CB 4.15Å; W36-M81 HydrophobicContact CZ3-CE 4.34Å; W36-F95 WeakPolarHBondContact CA-O 3.41Å; W36-C96 HydrophobicContact CD2-CB 4.17Å; W36-C96 HydrophobicContact CE3-CB 3.99Å; W36-C96 HydrophobicContact CH2-CB 4.07Å; W36-C96 HydrophobicContact CZ2-CB 4.22Å; W36-C96 HydrophobicContact CZ3-CB 3.94Å
37	V	98.6	Very high	95.8	Very high	25 Å²	25	67.8 Å²	67.8	15%	0.152	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.7	-173.6	-175.6	0	0	0	0	109.3	L45 E46 Y94 F95	V37-L45 HydrophobicContact CG1-CB 3.92Å; V37-L45 HydrophobicContact CG1-CD2 3.95Å; V37-L45 HydrophobicContact CG1-CG 4.44Å; V37-E46 WeakPolarHBondContact CA-O 3.21Å; V37-E46 WeakPolarHBondContact CG1-O 3.32Å; V37-Y94 WeakPolarHBondContact O-CA 3.48Å; V37-F95 PolarHBondContact N-O 3.06Å; V37-F95 PolarHBondContact O-N 3.13Å
38	K	97.9	Very high	95.9	Very high	9 Å²	9	65.7 Å²	65.7	4%	0.039	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.9	170.6	-176.8	179.9	-178.7	178.7	0	108.7	T40 E46 I48 F64 E89 D90 A92 Y94	K38-T40 HydrophobicContact CD-CG2 4.38Å; K38-T40 HydrophobicContact CG-CG2 4.29Å; K38-E46 HydrophobicContact CB-CB 4.45Å; K38-E46 PolarHBondContact N-O 3.28Å; K38-E46 PolarHBondContact O-N 3Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.12Å; K38-F64 HydrophobicContact CB-CZ 4.27Å; K38-F64 HydrophobicContact CD-CE1 4.04Å; K38-F64 HydrophobicContact CD-CZ 3.84Å; K38-E89 WeakPolarHBondContact CE-O 3.05Å; K38-E89 PolarHBondContact NZ-O 3.47Å; K38-D90 IonicContact NZ-OD1 2.71Å; K38-A92 HydrophobicContact CD-CB 4.12Å; K38-A92 VanDerWaalsContact CE-CB 3.48Å; K38-A92 HydrophobicContact CG-CB 3.55Å; K38-Y94 HydrophobicContact CB-CD1 4.1Å; K38-Y94 HydrophobicContact CB-CE1 3.82Å; K38-Y94 HydrophobicContact CD-CE1 4Å; K38-Y94 HydrophobicContact CG-CD1 4.27Å; K38-Y94 HydrophobicContact CG-CE1 3.67Å
39	Q	97.5	Very high	96	Very high	79 Å²	79	61.7 Å²	61.7	37%	0.369	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.1	170.6	-170.3	178.6	26.5	0	0	110	G44 L45 A92 V93 F95	Q39-G44 WeakPolarHBondContact CA-O 3.48Å; Q39-L45 HydrophobicContact CB-CD2 3.78Å; Q39-L45 HydrophobicContact CG-CD2 3.79Å; Q39-A92 WeakPolarHBondContact O-CB 3.29Å; Q39-V93 HydrophobicContact CB-CB 4.48Å; Q39-V93 PolarHBondContact N-O 3.14Å; Q39-V93 PolarHBondContact O-N 2.93Å; Q39-F95 HydrophobicContact CB-CD2 4.25Å; Q39-F95 HydrophobicContact CB-CE2 3.75Å; Q39-F95 VanDerWaalsContact OE1-CE2 3.25Å
40	T	93.8	Very high	96.1	Very high	22 Å²	22	61.4 Å²	61.4	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.6	170.3	67	0	0	0	0	110.6	K38 R42 Q43 G44 A92	K38-T40 HydrophobicContact CD-CG2 4.38Å; K38-T40 HydrophobicContact CG-CG2 4.29Å; T40-R42 PolarHBondContact O-N 3.11Å; T40-R42 VanDerWaalsContact O-N 3.15Å; T40-Q43 WeakPolarHBondContact OG1-CB 3.37Å; T40-Q43 PolarHBondContact OG1-N 2.71Å; T40-Q43 VanDerWaalsContact OG1-N 3.12Å; T40-G44 PolarHBondContact N-O 3.02Å; T40-G44 PolarHBondContact O-N 2.65Å; T40-G44 VanDerWaalsContact O-N 3.11Å; T40-A92 HydrophobicContact CG2-CB 3.93Å
41	P	89.4	Confident	96.1	Very high	136 Å²	136	59.1 Å²	59.1	88%	0.883	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.3	177	-25.7	34.4	0	0	0	113.8
42	R	89.2	Confident	96.2	Very high	239 Å²	239	60 Å²	60	90%	0.902	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-36.9	-173.9	-67.9	-175.4	177.7	173.2	-0.5	114.3	T40	T40-R42 PolarHBondContact O-N 3.11Å; T40-R42 VanDerWaalsContact O-N 3.15Å
43	Q	86.2	Confident	96.3	Very high	141 Å²	141	54.6 Å²	54.6	66%	0.659	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-7.2	-170.7	-61.9	174.6	-4.9	0	0	113.3	T40	T40-Q43 WeakPolarHBondContact OG1-CB 3.37Å; T40-Q43 PolarHBondContact OG1-N 2.71Å; T40-Q43 VanDerWaalsContact OG1-N 3.12Å
44	G	92.5	Very high	96.3	Very high	30 Å²	30	52.8 Å²	52.8	31%	0.309	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-144.2	-176.5	0	0	0	0	0	112.3	Q39 T40	Q39-G44 WeakPolarHBondContact CA-O 3.48Å; T40-G44 PolarHBondContact N-O 3.02Å; T40-G44 PolarHBondContact O-N 2.65Å; T40-G44 VanDerWaalsContact O-N 3.11Å
45	L	96.6	Very high	96.3	Very high	123 Å²	123	57 Å²	57	64%	0.644	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	125.8	-177.7	-61.7	177.9	0	0	0	111.1	V37 Q39	V37-L45 HydrophobicContact CG1-CB 3.92Å; V37-L45 HydrophobicContact CG1-CD2 3.95Å; V37-L45 HydrophobicContact CG1-CG 4.44Å; Q39-L45 HydrophobicContact CB-CD2 3.78Å; Q39-L45 HydrophobicContact CG-CD2 3.79Å
46	E	97.1	Very high	96.3	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.4	176.1	-173.2	176.2	-145.8	0	0	109	V37 K38 I48 K63 F64	V37-E46 WeakPolarHBondContact CA-O 3.21Å; V37-E46 WeakPolarHBondContact CG1-O 3.32Å; K38-E46 HydrophobicContact CB-CB 4.45Å; K38-E46 PolarHBondContact N-O 3.28Å; K38-E46 PolarHBondContact O-N 3Å; E46-I48 PolarHBondContact O-N 3.4Å; E46-K63 WeakPolarHBondContact OE1-CD 3.49Å; E46-K63 IonicContact OE1-NZ 2.77Å; E46-K63 PolarHBondContact OE1-NZ 3.06Å; E46-K63 IonicContact OE2-NZ 2.83Å; E46-K63 PolarHBondContact OE2-NZ 2.86Å; E46-F64 HydrophobicContact CG-CE2 3.85Å; E46-F64 HydrophobicContact CG-CZ 4.26Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.42Å
47	W	98.1	Very high	96.2	Very high	90 Å²	90	60.3 Å²	60.3	34%	0.341	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131	178.1	180	75.7	0	0	0	110.7	H35 G49 A50 N61	H35-W47 AromaticContact ND1-CD1 3.99Å; H35-W47 AromaticContact ND1-NE1 3.24Å; H35-W47 PolarHBondContact ND1-NE1 2.72Å; W47-G49 VanDerWaalsContact CE2-C 3.4Å; W47-G49 VanDerWaalsContact CE2-CA 3.48Å; W47-G49 PolarHBondContact NE1-O 3.39Å; W47-A50 HydrophobicContact CZ2-CB 3.9Å; W47-N61 HydrophobicContact CE3-CB 3.85Å; W47-N61 HydrophobicContact CZ3-CB 4.07Å; W47-N61 VanDerWaalsContact CZ3-N 3.29Å; W47-N61 WeakPolarHBondContact O-CB 3.36Å; W47-N61 PolarHBondContact O-ND2 2.9Å
48	I	98.6	Very high	96.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-49.2	-177.7	-61.6	174.6	0	0	0	110.3	W36 K38 E46 N61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.23Å; W36-I48 HydrophobicContact CB-CD1 4.39Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 3.27Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.12Å; E46-I48 PolarHBondContact O-N 3.4Å; I48-N61 PolarHBondContact O-N 2.85Å; I48-F64 HydrophobicContact CB-CD1 4.42Å; I48-F64 HydrophobicContact CB-CD2 4.27Å; I48-F64 HydrophobicContact CB-CG 4.18Å; I48-F64 HydrophobicContact CD1-CE1 4.32Å; I48-F64 HydrophobicContact CG1-CD1 4.05Å; I48-F64 HydrophobicContact CG1-CD2 4.2Å; I48-F64 HydrophobicContact CG1-CE1 3.89Å; I48-F64 HydrophobicContact CG1-CE2 4.04Å; I48-F64 HydrophobicContact CG1-CG 4.2Å; I48-F64 HydrophobicContact CG1-CZ 3.88Å; I48-F64 HydrophobicContact CG2-CB 3.74Å; I48-F64 HydrophobicContact CG2-CD1 3.89Å; I48-F64 HydrophobicContact CG2-CD2 4.27Å; I48-F64 HydrophobicContact CG2-CG 3.7Å; I48-A68 HydrophobicContact CG2-CB 3.74Å; I48-M81 HydrophobicContact CB-SD 4.47Å; I48-M81 HydrophobicContact CD1-CE 3.75Å; I48-M81 HydrophobicContact CD1-SD 3.6Å; I48-M81 HydrophobicContact CG2-SD 3.87Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.81Å
49	G	98.7	Very high	96.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	174.3	-170.3	0	0	0	0	0	112.2	H35 W36 W47 S59	H35-G49 WeakPolarHBondContact CA-O 3.36Å; W36-G49 PolarHBondContact N-O 2.98Å; W47-G49 VanDerWaalsContact CE2-C 3.4Å; W47-G49 VanDerWaalsContact CE2-CA 3.48Å; W47-G49 PolarHBondContact NE1-O 3.39Å; G49-S59 CarbonylContact C-O 3.55Å; G49-S59 WeakPolarHBondContact CA-O 3.19Å
50	A	98.8	Very high	96.3	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.017	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.4	172.4	0	0	0	0	0	110.8	M34 W47 T58 S59	M34-A50 CarbonylContact O-C 3.59Å; M34-A50 WeakPolarHBondContact O-CA 3.33Å; W47-A50 HydrophobicContact CZ2-CB 3.9Å; A50-T58 WeakPolarHBondContact O-CA 3.14Å; A50-S59 PolarHBondContact N-O 3.03Å; A50-S59 PolarHBondContact O-N 2.74Å
51	I	98.8	Very high	96.5	Very high	4 Å²	4	65 Å²	65	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.6	170.7	-175	158.8	0	0	0	109.6	M34 P53 D57 T58 L70 V72	M34-I51 HydrophobicContact CB-CG2 4.08Å; M34-I51 PolarHBondContact N-O 2.87Å; M34-I51 PolarHBondContact O-N 3.27Å; I51-P53 VanDerWaalsContact O-CD 3.32Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å; I51-D57 CarbonylContact C-O 3.54Å; I51-D57 VanDerWaalsContact CA-O 3.32Å; I51-D57 WeakPolarHBondContact CA-O 3.27Å; I51-T58 HydrophobicContact CB-CG2 3.97Å; I51-T58 HydrophobicContact CD1-CG2 3.69Å; I51-T58 HydrophobicContact CG1-CG2 3.79Å; I51-L70 HydrophobicContact CB-CB 4.04Å; I51-L70 HydrophobicContact CB-CD1 4.37Å; I51-L70 HydrophobicContact CD1-CB 4.3Å; I51-L70 HydrophobicContact CG2-CB 4.27Å; I51-V72 HydrophobicContact CD1-CB 4.43Å; I51-V72 HydrophobicContact CD1-CG1 3.82Å; I51-V72 HydrophobicContact CD1-CG2 4.07Å; I51-V72 HydrophobicContact CG1-CG1 3.97Å; I51-V72 HydrophobicContact CG2-CG1 3.77Å
52	Y	98.6	Very high	96.9	Very high	80 Å²	80	67 Å²	67	31%	0.314	34%	0.339	S	S	.	.			trans	-89	109.1	171.7	-174.7	-127.5	0	0	0	109.5	T30 N33 G54 N55 G56 D57	T30-Y52 PolarHBondContact O-OH 3.04Å; N33-Y52 WeakPolarHBondContact OD1-CA 3.4Å; N33-Y52 VanDerWaalsContact OD1-CB 3.31Å; N33-Y52 WeakPolarHBondContact OD1-CB 3.41Å; N33-Y52 PolarHBondContact OD1-N 2.6Å; Y52-G54 PolarHBondContact O-N 3.3Å; Y52-G54 VanDerWaalsContact O-N 3.11Å; Y52-N55 VanDerWaalsContact CD1-OD1 3.31Å; Y52-N55 WeakPolarHBondContact CD1-OD1 3.02Å; Y52-N55 PolarHBondContact O-N 3.29Å; Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.44Å; Y52-G56 PolarHBondContact O-N 3.06Å; Y52-D57 PolarHBondContact N-O 2.74Å
53	P	98.6	Very high	97.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.8	-174.5	-16.9	32	0	0	0	113.5	F29 Y32 I51 V72 K74	F29-P53 HydrophobicContact CD1-CB 3.89Å; F29-P53 HydrophobicContact CD1-CG 4.39Å; F29-P53 HydrophobicContact CD2-CB 4.49Å; F29-P53 HydrophobicContact CD2-CG 4.12Å; F29-P53 HydrophobicContact CE1-CB 3.56Å; F29-P53 HydrophobicContact CE1-CG 4.02Å; F29-P53 HydrophobicContact CE2-CB 4.19Å; F29-P53 HydrophobicContact CE2-CG 3.7Å; F29-P53 HydrophobicContact CG-CB 4.37Å; F29-P53 HydrophobicContact CG-CG 4.47Å; F29-P53 HydrophobicContact CZ-CB 3.73Å; F29-P53 HydrophobicContact CZ-CG 3.65Å; F29-P53 WeakPolarHBondContact O-CG 3.18Å; Y32-P53 WeakPolarHBondContact O-CD 3.38Å; I51-P53 VanDerWaalsContact O-CD 3.32Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-V72 HydrophobicContact CB-CB 4.37Å; P53-V72 HydrophobicContact CB-CG1 3.92Å; P53-V72 HydrophobicContact CG-CG1 4.02Å; P53-K74 WeakPolarHBondContact O-CE 3.32Å; P53-K74 PolarHBondContact O-NZ 3.15Å
54	G	98.2	Very high	97.7	Very high	26 Å²	26	54 Å²	54	27%	0.268	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-49.4	175.8	0	0	0	0	0	112.7	T30 Y52 K74	T30-G54 VanDerWaalsContact O-CA 3.24Å; T30-G54 WeakPolarHBondContact O-CA 3.46Å; T30-G54 PolarHBondContact O-N 3.37Å; Y52-G54 PolarHBondContact O-N 3.3Å; Y52-G54 VanDerWaalsContact O-N 3.11Å; G54-K74 PolarHBondContact O-NZ 2.77Å
55	N	97.8	Very high	97.9	Very high	90 Å²	90	60.1 Å²	60.1	48%	0.481	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-10.7	-177.4	65.9	4.4	0	0	0	114.4	Y52 D57	Y52-N55 VanDerWaalsContact CD1-OD1 3.31Å; Y52-N55 WeakPolarHBondContact CD1-OD1 3.02Å; Y52-N55 PolarHBondContact O-N 3.29Å; N55-D57 VanDerWaalsContact CG-CG 3.45Å; N55-D57 VanDerWaalsContact ND2-CG 3.26Å; N55-D57 PolarHBondContact ND2-OD2 3.49Å; N55-D57 VanDerWaalsContact OD1-CB 3.32Å; N55-D57 WeakPolarHBondContact OD1-CB 3.46Å; N55-D57 PolarHBondContact OD1-N 2.89Å; N55-D57 PolarHBondContact OD1-OD2 2.82Å
56	G	97.7	Very high	97.8	Very high	30 Å²	30	57.6 Å²	57.6	31%	0.309	31%	0.309	S	S	.	.			trans	88.8	6.2	-178.8	0	0	0	0	0	114.7	Y52	Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.44Å; Y52-G56 PolarHBondContact O-N 3.06Å
57	D	98.5	Very high	97.8	Very high	102 Å²	102	58 Å²	58	55%	0.545	31%	0.31	S	S	.	.			trans	-60.9	138.4	178.9	-72.5	-12.9	0	0	0	110.9	I51 Y52 N55	I51-D57 CarbonylContact C-O 3.54Å; I51-D57 VanDerWaalsContact CA-O 3.32Å; I51-D57 WeakPolarHBondContact CA-O 3.27Å; Y52-D57 PolarHBondContact N-O 2.74Å; N55-D57 VanDerWaalsContact CG-CG 3.45Å; N55-D57 VanDerWaalsContact ND2-CG 3.26Å; N55-D57 PolarHBondContact ND2-OD2 3.49Å; N55-D57 VanDerWaalsContact OD1-CB 3.32Å; N55-D57 WeakPolarHBondContact OD1-CB 3.46Å; N55-D57 PolarHBondContact OD1-N 2.89Å; N55-D57 PolarHBondContact OD1-OD2 2.82Å
58	T	98.7	Very high	97.8	Very high	68 Å²	68	53.9 Å²	53.9	42%	0.417	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145	-178.1	53.5	0	0	0	0	111.9	A50 I51 Y60 L70	A50-T58 WeakPolarHBondContact O-CA 3.14Å; I51-T58 HydrophobicContact CB-CG2 3.97Å; I51-T58 HydrophobicContact CD1-CG2 3.69Å; I51-T58 HydrophobicContact CG1-CG2 3.79Å; T58-Y60 HydrophobicContact CG2-CE2 4.44Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.29Å; T58-L70 HydrophobicContact CG2-CB 4.08Å
59	S	98.5	Very high	97.8	Very high	55 Å²	55	57.3 Å²	57.3	39%	0.385	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.1	168.7	60.3	0	0	0	0	109.2	G49 A50	G49-S59 CarbonylContact C-O 3.55Å; G49-S59 WeakPolarHBondContact CA-O 3.19Å; A50-S59 PolarHBondContact N-O 3.03Å; A50-S59 PolarHBondContact O-N 2.74Å
60	Y	98.7	Very high	97.8	Very high	64 Å²	64	57.7 Å²	57.7	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.5	-176.7	-66	-89.8	0	0	0	110.5	T58 A68 L70	T58-Y60 HydrophobicContact CG2-CE2 4.44Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.29Å; Y60-A68 HydrophobicContact CD1-CB 4.34Å; Y60-A68 HydrophobicContact CE1-CB 4.1Å; Y60-A68 WeakPolarHBondContact CE1-O 3.32Å; Y60-L70 HydrophobicContact CE1-CD1 4.11Å; Y60-L70 HydrophobicContact CE1-CG 3.72Å; Y60-L70 PolarHBondContact OH-N 2.85Å
61	N	97.9	Very high	97.8	Very high	47 Å²	47	60.5 Å²	60.5	25%	0.251	34%	0.335	S	S	.	.			trans	-66	136	156.3	178.5	-29.9	0	0	0	108.6	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.85Å; W47-N61 HydrophobicContact CZ3-CB 4.07Å; W47-N61 VanDerWaalsContact CZ3-N 3.29Å; W47-N61 WeakPolarHBondContact O-CB 3.36Å; W47-N61 PolarHBondContact O-ND2 2.9Å; I48-N61 PolarHBondContact O-N 2.85Å; N61-K63 PolarHBondContact O-N 3.24Å; N61-K63 VanDerWaalsContact O-N 3.11Å; N61-K63 PolarHBondContact OD1-N 2.98Å; N61-F64 HydrophobicContact CB-CD2 4.01Å; N61-F64 PolarHBondContact O-N 2.87Å; N61-K65 PolarHBondContact O-N 2.91Å; N61-K65 VanDerWaalsContact O-N 3.13Å
62	Q	97.4	Very high	97.8	Very high	176 Å²	176	62.1 Å²	62.1	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.7	-176.7	-164.1	175	0.3	0	0	113	F64 K65	Q62-F64 VanDerWaalsContact C-N 3.26Å; Q62-F64 PolarHBondContact O-N 3.37Å; Q62-K65 PolarHBondContact O-N 2.95Å
63	K	94.8	Very high	97.8	Very high	104 Å²	104	60.9 Å²	60.9	45%	0.452	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.7	177.1	-172.5	-174.6	-178.3	-175.4	0	113.6	E46 N61	E46-K63 WeakPolarHBondContact OE1-CD 3.49Å; E46-K63 IonicContact OE1-NZ 2.77Å; E46-K63 PolarHBondContact OE1-NZ 3.06Å; E46-K63 IonicContact OE2-NZ 2.83Å; E46-K63 PolarHBondContact OE2-NZ 2.86Å; N61-K63 PolarHBondContact O-N 3.24Å; N61-K63 VanDerWaalsContact O-N 3.11Å; N61-K63 PolarHBondContact OD1-N 2.98Å
64	F	97.4	Very high	97.7	Very high	3 Å²	3	65.9 Å²	65.9	1%	0.013	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-7.2	-177.9	-63.8	-87.8	0	0	0	112.9	K38 E46 I48 N61 Q62 G66 K67 A68	K38-F64 HydrophobicContact CB-CZ 4.27Å; K38-F64 HydrophobicContact CD-CE1 4.04Å; K38-F64 HydrophobicContact CD-CZ 3.84Å; E46-F64 HydrophobicContact CG-CE2 3.85Å; E46-F64 HydrophobicContact CG-CZ 4.26Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.42Å; I48-F64 HydrophobicContact CB-CD1 4.42Å; I48-F64 HydrophobicContact CB-CD2 4.27Å; I48-F64 HydrophobicContact CB-CG 4.18Å; I48-F64 HydrophobicContact CD1-CE1 4.32Å; I48-F64 HydrophobicContact CG1-CD1 4.05Å; I48-F64 HydrophobicContact CG1-CD2 4.2Å; I48-F64 HydrophobicContact CG1-CE1 3.89Å; I48-F64 HydrophobicContact CG1-CE2 4.04Å; I48-F64 HydrophobicContact CG1-CG 4.2Å; I48-F64 HydrophobicContact CG1-CZ 3.88Å; I48-F64 HydrophobicContact CG2-CB 3.74Å; I48-F64 HydrophobicContact CG2-CD1 3.89Å; I48-F64 HydrophobicContact CG2-CD2 4.27Å; I48-F64 HydrophobicContact CG2-CG 3.7Å; N61-F64 HydrophobicContact CB-CD2 4.01Å; N61-F64 PolarHBondContact O-N 2.87Å; Q62-F64 VanDerWaalsContact C-N 3.26Å; Q62-F64 PolarHBondContact O-N 3.37Å; F64-G66 PolarHBondContact O-N 2.87Å; F64-K67 PolarHBondContact O-N 2.87Å; F64-A68 HydrophobicContact CB-CB 4.12Å; F64-A68 PolarHBondContact O-N 2.89Å
65	K	95.7	Very high	97.7	Very high	159 Å²	159	69.9 Å²	69.9	69%	0.691	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-61.4	125	176.9	-169.5	171.2	-176.8	176.6	0	109.9	N61 Q62 K67	N61-K65 PolarHBondContact O-N 2.91Å; N61-K65 VanDerWaalsContact O-N 3.13Å; Q62-K65 PolarHBondContact O-N 2.95Å; K65-K67 PolarHBondContact O-N 2.96Å
66	G	94.9	Very high	97.7	Very high	71 Å²	71	67.4 Å²	67.4	73%	0.732	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-17	-175.1	0	0	0	0	0	114.8	F64	F64-G66 PolarHBondContact O-N 2.87Å
67	K	96.8	Very high	97.7	Very high	48 Å²	48	67.8 Å²	67.8	21%	0.209	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-42.7	174.9	-170	172.2	-163.9	169.4	0	112.5	F64 K65 L83 S84 D90	F64-K67 PolarHBondContact O-N 2.87Å; K65-K67 PolarHBondContact O-N 2.96Å; K67-L83 WeakPolarHBondContact O-CA 3.43Å; K67-S84 PolarHBondContact O-N 2.97Å; K67-S84 PolarHBondContact O-OG 2.87Å; K67-D90 VanDerWaalsContact CE-OD1 3.29Å; K67-D90 WeakPolarHBondContact CE-OD1 3.46Å; K67-D90 WeakPolarHBondContact CE-OD2 3.31Å; K67-D90 IonicContact NZ-OD1 2.6Å; K67-D90 PolarHBondContact NZ-OD1 3.34Å; K67-D90 IonicContact NZ-OD2 3.8Å; K67-D90 PolarHBondContact NZ-OD2 2.82Å
68	A	98.5	Very high	97.7	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.7	176.4	0	0	0	0	0	110.8	I48 Y60 F64 Q82 L83	I48-A68 HydrophobicContact CG2-CB 3.74Å; Y60-A68 HydrophobicContact CD1-CB 4.34Å; Y60-A68 HydrophobicContact CE1-CB 4.1Å; Y60-A68 WeakPolarHBondContact CE1-O 3.32Å; F64-A68 HydrophobicContact CB-CB 4.12Å; F64-A68 PolarHBondContact O-N 2.89Å; A68-Q82 CarbonylContact C-O 3.5Å; A68-Q82 WeakPolarHBondContact CA-O 3.37Å; A68-L83 HydrophobicContact CB-CD2 3.75Å
69	T	98.7	Very high	97.7	Very high	71 Å²	71	60.1 Å²	60.1	44%	0.436	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.5	169.5	-59.4	0	0	0	0	108.5	T71 M81 Q82	T69-T71 HydrophobicContact CG2-CG2 4.22Å; T69-M81 WeakPolarHBondContact O-CA 3.32Å; T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 2.78Å
70	L	98.8	Very high	97.7	Very high	8 Å²	8	60 Å²	60	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.3	177.6	-53.2	-175	0	0	0	110.4	W36 I51 T58 Y60 Y80 M81	W36-L70 VanDerWaalsContact CD1-CD2 3.49Å; W36-L70 HydrophobicContact CG-CD2 4.06Å; I51-L70 HydrophobicContact CB-CB 4.04Å; I51-L70 HydrophobicContact CB-CD1 4.37Å; I51-L70 HydrophobicContact CD1-CB 4.3Å; I51-L70 HydrophobicContact CG2-CB 4.27Å; T58-L70 HydrophobicContact CG2-CB 4.08Å; Y60-L70 HydrophobicContact CE1-CD1 4.11Å; Y60-L70 HydrophobicContact CE1-CG 3.72Å; Y60-L70 PolarHBondContact OH-N 2.85Å; L70-Y80 WeakPolarHBondContact CA-O 3.46Å; L70-M81 HydrophobicContact CD2-CB 3.69Å; L70-M81 HydrophobicContact CD2-CG 3.66Å; L70-M81 HydrophobicContact CD2-SD 4.16Å
71	T	98.7	Very high	97.7	Very high	62 Å²	62	57 Å²	57	38%	0.38	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.3	175.9	62.9	0	0	0	0	111.3	T69 A79 Y80	T69-T71 HydrophobicContact CG2-CG2 4.22Å; T71-A79 CarbonylContact O-C 3.44Å; T71-A79 WeakPolarHBondContact O-CA 3.3Å; T71-Y80 PolarHBondContact N-O 3.3Å; T71-Y80 PolarHBondContact O-N 2.87Å
72	V	98.5	Very high	97.8	Very high	37 Å²	37	58.7 Å²	58.7	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.1	178.9	-72.9	0	0	0	0	110.7	F29 I51 P53 T78 A79	F29-V72 HydrophobicContact CE1-CB 4.38Å; F29-V72 HydrophobicContact CE1-CG1 4.41Å; F29-V72 HydrophobicContact CZ-CB 4.37Å; F29-V72 HydrophobicContact CZ-CG1 3.97Å; I51-V72 HydrophobicContact CD1-CB 4.43Å; I51-V72 HydrophobicContact CD1-CG1 3.82Å; I51-V72 HydrophobicContact CD1-CG2 4.07Å; I51-V72 HydrophobicContact CG1-CG1 3.97Å; I51-V72 HydrophobicContact CG2-CG1 3.77Å; P53-V72 HydrophobicContact CB-CB 4.37Å; P53-V72 HydrophobicContact CB-CG1 3.92Å; P53-V72 HydrophobicContact CG-CG1 4.02Å; V72-T78 WeakPolarHBondContact CA-O 3.32Å; V72-A79 HydrophobicContact CG1-CB 4.13Å
73	D	98.4	Very high	97.8	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.1	162.7	173.7	10.3	0	0	0	108.4	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.29Å; D73-S75 PolarHBondContact O-N 3.35Å; D73-S75 WeakPolarHBondContact OD1-CB 3.21Å; D73-S75 PolarHBondContact OD1-N 2.88Å; D73-S75 PolarHBondContact OD1-OG 2.86Å; D73-S75 PolarHBondContact OD2-OG 2.01Å; D73-S76 PolarHBondContact OD1-N 2.95Å; D73-S76 VanDerWaalsContact OD2-CB 3.29Å; D73-S76 WeakPolarHBondContact OD2-CB 2.97Å; D73-S76 PolarHBondContact OD2-OG 3.4Å; D73-S77 PolarHBondContact O-N 2.73Å; D73-S77 VanDerWaalsContact O-N 3.13Å; D73-T78 PolarHBondContact N-O 3.41Å; D73-T78 PolarHBondContact O-N 2.78Å; D73-Y80 HydrophobicContact CB-CE2 4.02Å
74	K	97.5	Very high	97.9	Very high	106 Å²	106	47 Å²	47	46%	0.461	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32	-178.9	-56.9	-173.1	-165.6	-169.1	0	111.7	T30 P53 G54 S77	T30-K74 HydrophobicContact CG2-CD 4.26Å; T30-K74 HydrophobicContact CG2-CG 4.45Å; P53-K74 WeakPolarHBondContact O-CE 3.32Å; P53-K74 PolarHBondContact O-NZ 3.15Å; G54-K74 PolarHBondContact O-NZ 2.77Å; K74-S77 PolarHBondContact O-N 2.92Å
75	S	97.3	Very high	97.9	Very high	110 Å²	110	50.7 Å²	50.7	77%	0.769	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-38.9	-176	72.8	0	0	0	0	111.9	D73	D73-S75 VanDerWaalsContact C-N 3.29Å; D73-S75 PolarHBondContact O-N 3.35Å; D73-S75 WeakPolarHBondContact OD1-CB 3.21Å; D73-S75 PolarHBondContact OD1-N 2.88Å; D73-S75 PolarHBondContact OD1-OG 2.86Å; D73-S75 PolarHBondContact OD2-OG 2.01Å
76	S	97.9	Very high	98	Very high	38 Å²	38	43.8 Å²	43.8	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.7	177	67	0	0	0	0	114.1	D73 T78	D73-S76 PolarHBondContact OD1-N 2.95Å; D73-S76 VanDerWaalsContact OD2-CB 3.29Å; D73-S76 WeakPolarHBondContact OD2-CB 2.97Å; D73-S76 PolarHBondContact OD2-OG 3.4Å; S76-T78 VanDerWaalsContact C-N 3.3Å; S76-T78 PolarHBondContact O-N 3.11Å; S76-T78 PolarHBondContact O-OG1 2.8Å; S76-T78 WeakPolarHBondContact OG-CB 3Å; S76-T78 PolarHBondContact OG-OG1 2.79Å
77	S	98.2	Very high	98.1	Very high	37 Å²	37	43.4 Å²	43.4	26%	0.259	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	44.4	-171.6	-61.9	0	0	0	0	112.8	A24 F29 D73 K74	A24-S77 PolarHBondContact N-O 3.15Å; F29-S77 VanDerWaalsContact CD1-CA 3.49Å; D73-S77 PolarHBondContact O-N 2.73Å; D73-S77 VanDerWaalsContact O-N 3.13Å; K74-S77 PolarHBondContact O-N 2.92Å
78	T	98.7	Very high	97.9	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	-174.3	-49.6	0	0	0	0	111	C22 K23 V72 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.28Å; K23-T78 HydrophobicContact CB-CG2 4.43Å; V72-T78 WeakPolarHBondContact CA-O 3.32Å; D73-T78 PolarHBondContact N-O 3.41Å; D73-T78 PolarHBondContact O-N 2.78Å; S76-T78 VanDerWaalsContact C-N 3.3Å; S76-T78 PolarHBondContact O-N 3.11Å; S76-T78 PolarHBondContact O-OG1 2.8Å; S76-T78 WeakPolarHBondContact OG-CB 3Å; S76-T78 PolarHBondContact OG-OG1 2.79Å; T78-Y80 HydrophobicContact CG2-CD1 4.43Å; T78-Y80 HydrophobicContact CG2-CD2 4.39Å; T78-Y80 HydrophobicContact CG2-CE1 3.82Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.42Å
79	A	98.8	Very high	97.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	150.7	166.9	0	0	0	0	0	110.1	S21 C22 F29 M34 W36 T71 V72	S21-A79 CarbonylContact C-O 3.56Å; S21-A79 WeakPolarHBondContact CA-O 3.46Å; C22-A79 PolarHBondContact N-O 3.05Å; C22-A79 PolarHBondContact O-N 2.99Å; F29-A79 HydrophobicContact CE2-CB 4.35Å; F29-A79 HydrophobicContact CZ-CB 4.15Å; M34-A79 HydrophobicContact CB-CB 4Å; M34-A79 HydrophobicContact CE-CB 4.36Å; M34-A79 HydrophobicContact CG-CB 3.63Å; W36-A79 HydrophobicContact CZ2-CB 4.43Å; T71-A79 CarbonylContact O-C 3.44Å; T71-A79 WeakPolarHBondContact O-CA 3.3Å; V72-A79 HydrophobicContact CG1-CB 4.13Å
80	Y	98.8	Very high	97.5	Very high	54 Å²	54	50 Å²	50	21%	0.212	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.5	177.4	-57.3	-90.5	0	0	0	110.7	K19 M20 S21 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.49Å; K19-Y80 HydrophobicContact CG-CD1 4.47Å; M20-Y80 VanDerWaalsContact O-CA 3.24Å; M20-Y80 WeakPolarHBondContact O-CA 3.24Å; S21-Y80 VanDerWaalsContact CB-CE1 3.43Å; L70-Y80 WeakPolarHBondContact CA-O 3.46Å; T71-Y80 PolarHBondContact N-O 3.3Å; T71-Y80 PolarHBondContact O-N 2.87Å; D73-Y80 HydrophobicContact CB-CE2 4.02Å; T78-Y80 HydrophobicContact CG2-CD1 4.43Å; T78-Y80 HydrophobicContact CG2-CD2 4.39Å; T78-Y80 HydrophobicContact CG2-CE1 3.82Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.42Å
81	M	98.8	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.2	165.6	176	174.4	73.6	0	0	108.3	K19 M20 W36 I48 T69 L70 L83 Y94	K19-M81 CarbonylContact C-O 3.53Å; K19-M81 WeakPolarHBondContact CA-O 3.31Å; M20-M81 HydrophobicContact CE-CB 4.15Å; M20-M81 HydrophobicContact CE-CE 3.3Å; M20-M81 HydrophobicContact CE-CG 3.97Å; M20-M81 WeakPolarHBondContact CE-O 2.89Å; M20-M81 HydrophobicContact CE-SD 4.46Å; M20-M81 PolarHBondContact N-O 2.9Å; M20-M81 PolarHBondContact O-N 3.29Å; M20-M81 HydrophobicContact SD-CE 3.62Å; W36-M81 HydrophobicContact CB-CE 4.43Å; W36-M81 HydrophobicContact CB-SD 3.68Å; W36-M81 HydrophobicContact CD2-CB 3.59Å; W36-M81 HydrophobicContact CD2-CE 4.25Å; W36-M81 HydrophobicContact CD2-CG 4.41Å; W36-M81 HydrophobicContact CD2-SD 4.03Å; W36-M81 HydrophobicContact CE3-CB 3.88Å; W36-M81 HydrophobicContact CE3-CE 3.72Å; W36-M81 HydrophobicContact CE3-SD 4.13Å; W36-M81 HydrophobicContact CG-CB 4.05Å; W36-M81 HydrophobicContact CG-SD 3.86Å; W36-M81 HydrophobicContact CH2-CB 4.15Å; W36-M81 HydrophobicContact CZ2-CB 3.91Å; W36-M81 HydrophobicContact CZ3-CB 4.15Å; W36-M81 HydrophobicContact CZ3-CE 4.34Å; I48-M81 HydrophobicContact CB-SD 4.47Å; I48-M81 HydrophobicContact CD1-CE 3.75Å; I48-M81 HydrophobicContact CD1-SD 3.6Å; I48-M81 HydrophobicContact CG2-SD 3.87Å; T69-M81 WeakPolarHBondContact O-CA 3.32Å; L70-M81 HydrophobicContact CD2-CB 3.69Å; L70-M81 HydrophobicContact CD2-CG 3.66Å; L70-M81 HydrophobicContact CD2-SD 4.16Å; M81-L83 HydrophobicContact CE-CD1 4.23Å; M81-L83 HydrophobicContact CE-CG 4.34Å; M81-L83 HydrophobicContact CG-CG 4.49Å; M81-L83 HydrophobicContact SD-CD2 4.39Å; M81-Y94 HydrophobicContact CE-CD1 3.62Å; M81-Y94 HydrophobicContact CE-CE1 4.33Å; M81-Y94 HydrophobicContact CE-CG 4.13Å
82	Q	98.7	Very high	97.2	Very high	83 Å²	83	53 Å²	53	39%	0.388	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.3	168.7	-176.2	171.4	-4.7	0	0	109.1	V18 K19 A68 T69	V18-Q82 CarbonylContact O-C 3.57Å; V18-Q82 VanDerWaalsContact O-CA 3.27Å; V18-Q82 WeakPolarHBondContact O-CA 3.29Å; K19-Q82 HydrophobicContact CB-CB 4.5Å; K19-Q82 HydrophobicContact CG-CB 4.43Å; A68-Q82 CarbonylContact C-O 3.5Å; A68-Q82 WeakPolarHBondContact CA-O 3.37Å; T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 2.78Å
83	L	98.5	Very high	97.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.9	169	-65.9	171.9	0	0	0	108.5	S17 V18 M20 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.54Å; S17-L83 WeakPolarHBondContact CA-O 3.14Å; S17-L83 WeakPolarHBondContact CB-O 3.38Å; V18-L83 HydrophobicContact CG1-CB 3.97Å; V18-L83 HydrophobicContact CG1-CD1 4.43Å; V18-L83 PolarHBondContact N-O 2.77Å; V18-L83 PolarHBondContact O-N 2.85Å; M20-L83 HydrophobicContact CE-CD1 4Å; M20-L83 HydrophobicContact CE-CG 3.99Å; K67-L83 WeakPolarHBondContact O-CA 3.43Å; A68-L83 HydrophobicContact CB-CD2 3.75Å; M81-L83 HydrophobicContact CE-CD1 4.23Å; M81-L83 HydrophobicContact CE-CG 4.34Å; M81-L83 HydrophobicContact CG-CG 4.49Å; M81-L83 HydrophobicContact SD-CD2 4.39Å; L83-L86 HydrophobicContact CB-CD2 3.76Å; L83-L86 HydrophobicContact CD1-CD2 4.4Å; L83-Y94 HydrophobicContact CD1-CD1 4.2Å; L83-Y94 HydrophobicContact CD1-CE1 3.55Å; L83-Y94 HydrophobicContact CD1-CE2 4.22Å
84	S	97.3	Very high	97.1	Very high	33 Å²	33	53.7 Å²	53.7	23%	0.231	32%	0.318	C	S	.	.			trans	-110.1	162.3	178.7	68.4	0	0	0	0	111.9	S17 K67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.33Å; K67-S84 PolarHBondContact O-N 2.97Å; K67-S84 PolarHBondContact O-OG 2.87Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.39Å
85	S	96.9	Very high	97.1	Very high	81 Å²	81	52.3 Å²	52.3	57%	0.566	31%	0.312	S	S	*	.	S	Bend	trans	50.5	51	174.6	-50.8	0	0	0	0	112.8	A16	A16-S85 PolarHBondContact O-N 2.8Å
86	L	97.4	Very high	97.1	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.073	28%	0.279	C	S	.	.			trans	-62.1	146	-172.6	-67.9	169.1	0	0	0	112.5	V12 P14 G15 A16 V18 L83 S84 D90	V12-L86 HydrophobicContact CB-CD1 4.49Å; V12-L86 HydrophobicContact CG2-CD1 3.33Å; P14-L86 CarbonylContact C-O 3.54Å; P14-L86 WeakPolarHBondContact CA-O 3.28Å; G15-L86 PolarHBondContact N-O 3.47Å; A16-L86 VanDerWaalsContact O-CG 3.31Å; A16-L86 WeakPolarHBondContact O-CG 3.43Å; A16-L86 PolarHBondContact O-N 2.99Å; V18-L86 HydrophobicContact CB-CD1 4.09Å; V18-L86 HydrophobicContact CG1-CD1 3.82Å; V18-L86 HydrophobicContact CG1-CD2 4.26Å; L83-L86 HydrophobicContact CB-CD2 3.76Å; L83-L86 HydrophobicContact CD1-CD2 4.4Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.39Å; L86-D90 HydrophobicContact CD2-CB 3.77Å
87	T	96.2	Very high	97.1	Very high	63 Å²	63	47.8 Å²	47.8	39%	0.387	28%	0.282	S	S	.	.			trans	-125.1	168.7	176.4	63.5	0	0	0	0	109.2	E89 D90	T87-E89 PolarHBondContact O-N 3.24Å; T87-E89 PolarHBondContact OG1-N 2.93Å; T87-D90 PolarHBondContact N-OD2 3.02Å; T87-D90 WeakPolarHBondContact O-CB 3.49Å; T87-D90 PolarHBondContact O-N 2.92Å; T87-D90 PolarHBondContact OG1-OD2 2.88Å
88	S	93.5	Very high	96.9	Very high	100 Å²	100	52.1 Å²	52.1	70%	0.699	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-59.4	-26.3	174	50.5	0	0	0	0	112.9	D90 S91	S88-D90 PolarHBondContact O-N 2.62Å; S88-S91 WeakPolarHBondContact O-CB 3.39Å; S88-S91 PolarHBondContact O-N 3.03Å; S88-S91 PolarHBondContact O-OG 3.3Å
89	E	92.4	Very high	96.8	Very high	151 Å²	151	54.3 Å²	54.3	71%	0.706	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16.3	175.8	-61.8	-174.4	175.7	0	0	113.1	K38 T87 S91	K38-E89 WeakPolarHBondContact CE-O 3.05Å; K38-E89 PolarHBondContact NZ-O 3.47Å; T87-E89 PolarHBondContact O-N 3.24Å; T87-E89 PolarHBondContact OG1-N 2.93Å; E89-S91 VanDerWaalsContact C-N 3.33Å
90	D	95.3	Very high	96.7	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.059	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-85.5	-5.7	177.5	-57.1	-58	0	0	0	113.4	K38 K67 L86 T87 S88 A92 Y94	K38-D90 IonicContact NZ-OD1 2.71Å; K67-D90 VanDerWaalsContact CE-OD1 3.29Å; K67-D90 WeakPolarHBondContact CE-OD1 3.46Å; K67-D90 WeakPolarHBondContact CE-OD2 3.31Å; K67-D90 IonicContact NZ-OD1 2.6Å; K67-D90 PolarHBondContact NZ-OD1 3.34Å; K67-D90 IonicContact NZ-OD2 3.8Å; K67-D90 PolarHBondContact NZ-OD2 2.82Å; L86-D90 HydrophobicContact CD2-CB 3.77Å; T87-D90 PolarHBondContact N-OD2 3.02Å; T87-D90 WeakPolarHBondContact O-CB 3.49Å; T87-D90 PolarHBondContact O-N 2.92Å; T87-D90 PolarHBondContact OG1-OD2 2.88Å; S88-D90 PolarHBondContact O-N 2.62Å; D90-A92 PolarHBondContact O-N 3.47Å; D90-Y94 WeakPolarHBondContact O-CE2 3.37Å; D90-Y94 PolarHBondContact O-OH 2.61Å
91	S	95.2	Very high	96.6	Very high	99 Å²	99	57.3 Å²	57.3	69%	0.692	33%	0.327	S	S	*	.			trans	-65.6	104.7	171.2	-61.9	0	0	0	0	110	S88 E89	S88-S91 WeakPolarHBondContact O-CB 3.39Å; S88-S91 PolarHBondContact O-N 3.03Å; S88-S91 PolarHBondContact O-OG 3.3Å; E89-S91 VanDerWaalsContact C-N 3.33Å
92	A	96.5	Very high	96.4	Very high	32 Å²	32	60.7 Å²	60.7	26%	0.264	35%	0.347	S	S	.	.	S	Bend	trans	-160.8	170.7	-172	0	0	0	0	0	109.8	K38 Q39 T40 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.12Å; K38-A92 VanDerWaalsContact CE-CB 3.48Å; K38-A92 HydrophobicContact CG-CB 3.55Å; Q39-A92 WeakPolarHBondContact O-CB 3.29Å; T40-A92 HydrophobicContact CG2-CB 3.93Å; D90-A92 PolarHBondContact O-N 3.47Å; A92-Y94 HydrophobicContact CB-CD2 4.49Å; A92-Y94 HydrophobicContact CB-CE2 3.86Å
93	V	97	Very high	96.3	Very high	78 Å²	78	59.3 Å²	59.3	47%	0.473	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.6	165.2	-165.9	0	0	0	0	108.3	Q39 F95	Q39-V93 HydrophobicContact CB-CB 4.48Å; Q39-V93 PolarHBondContact N-O 3.14Å; Q39-V93 PolarHBondContact O-N 2.93Å; V93-F95 HydrophobicContact CB-CE2 3.69Å; V93-F95 HydrophobicContact CB-CZ 3.84Å; V93-F95 HydrophobicContact CG1-CD1 4.49Å; V93-F95 HydrophobicContact CG1-CD2 4.24Å; V93-F95 HydrophobicContact CG1-CE1 3.72Å; V93-F95 HydrophobicContact CG1-CE2 3.42Å; V93-F95 VanDerWaalsContact CG1-CE2 3.42Å; V93-F95 HydrophobicContact CG1-CZ 3.14Å
94	Y	98	Very high	96.1	Very high	29 Å²	29	63.3 Å²	63.3	11%	0.114	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.7	-180	-66.8	-88.7	0	0	0	109.7	Q6 M20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.06Å; M20-Y94 HydrophobicContact SD-CD2 4.25Å; M20-Y94 HydrophobicContact SD-CG 4Å; V37-Y94 WeakPolarHBondContact O-CA 3.48Å; K38-Y94 HydrophobicContact CB-CD1 4.1Å; K38-Y94 HydrophobicContact CB-CE1 3.82Å; K38-Y94 HydrophobicContact CD-CE1 4Å; K38-Y94 HydrophobicContact CG-CD1 4.27Å; K38-Y94 HydrophobicContact CG-CE1 3.67Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.81Å; M81-Y94 HydrophobicContact CE-CD1 3.62Å; M81-Y94 HydrophobicContact CE-CE1 4.33Å; M81-Y94 HydrophobicContact CE-CG 4.13Å; L83-Y94 HydrophobicContact CD1-CD1 4.2Å; L83-Y94 HydrophobicContact CD1-CE1 3.55Å; L83-Y94 HydrophobicContact CD1-CE2 4.22Å; D90-Y94 WeakPolarHBondContact O-CE2 3.37Å; D90-Y94 PolarHBondContact O-OH 2.61Å; A92-Y94 HydrophobicContact CB-CD2 4.49Å; A92-Y94 HydrophobicContact CB-CE2 3.86Å
95	F	97.2	Very high	96.1	Very high	76 Å²	76	65.4 Å²	65.4	33%	0.333	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.1	-179	-56.6	-83.4	0	0	0	110.9	W36 V37 Q39 V93	W36-F95 WeakPolarHBondContact CA-O 3.41Å; V37-F95 PolarHBondContact N-O 3.06Å; V37-F95 PolarHBondContact O-N 3.13Å; Q39-F95 HydrophobicContact CB-CD2 4.25Å; Q39-F95 HydrophobicContact CB-CE2 3.75Å; Q39-F95 VanDerWaalsContact OE1-CE2 3.25Å; V93-F95 HydrophobicContact CB-CE2 3.69Å; V93-F95 HydrophobicContact CB-CZ 3.84Å; V93-F95 HydrophobicContact CG1-CD1 4.49Å; V93-F95 HydrophobicContact CG1-CD2 4.24Å; V93-F95 HydrophobicContact CG1-CE1 3.72Å; V93-F95 HydrophobicContact CG1-CE2 3.42Å; V93-F95 VanDerWaalsContact CG1-CE2 3.42Å; V93-F95 HydrophobicContact CG1-CZ 3.14Å
96	C	98.5	Very high	96	Very high	11 Å²	11	64.2 Å²	64.2	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.7	161.3	66.6	0	0	0	0	109.7	Q6 C22 M34 H35 W36	Q6-C96 VanDerWaalsContact CD-SG 3.58Å; Q6-C96 HydrophobicContact CG-CB 4.45Å; Q6-C96 WeakPolarHBondContact CG-SG 3.24Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.24Å; C22-C96 WeakPolarHBondContact SG-CB 3.35Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 2.83Å; M34-C96 HydrophobicContact CG-CB 4.38Å; M34-C96 HydrophobicContact SD-CB 3.77Å; H35-C96 CarbonylContact O-C 3.58Å; H35-C96 WeakPolarHBondContact O-CA 3.13Å; W36-C96 HydrophobicContact CD2-CB 4.17Å; W36-C96 HydrophobicContact CE3-CB 3.99Å; W36-C96 HydrophobicContact CH2-CB 4.07Å; W36-C96 HydrophobicContact CZ2-CB 4.22Å; W36-C96 HydrophobicContact CZ3-CB 3.94Å
97	A	97.6	Very high	95.9	Very high	42 Å²	42	68.4 Å²	68.4	35%	0.347	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.2	176.6	0	0	0	0	0	110.1	M34 H35	M34-A97 VanDerWaalsContact SD-O 3.4Å; H35-A97 HydrophobicContact CB-CB 4.47Å; H35-A97 PolarHBondContact N-O 3.13Å; H35-A97 PolarHBondContact O-N 3.34Å
98	R	93.1	Very high	95.8	Very high	129 Å²	129	68.9 Å²	68.9	49%	0.487	39%	0.386	S	S	.	.			trans	-109.9	0	170.4	-177	-154.7	72.5	-178.5	0.2	108.9	L4 Y27 Y32	L4-R98 HydrophobicContact CD1-CB 4.3Å; Y27-R98 VanDerWaalsContact CB-NH1 3.28Å; Y27-R98 HydrophobicContact CE2-CG 4.01Å; Y32-R98 HydrophobicContact CD1-CG 4.37Å; Y32-R98 HydrophobicContact CG-CG 4.01Å

Retrieved 98 of 98 residues in 105.1 ms (Link to these results)

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