A0A075B5X6_MOUSE Loading...

Immunoglobulin heavy variable V1-67

AlphaFold DB , UniProt , Accession A0A075B5X6, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-67, Length 98 aa.

						>A0A075B5X6_MOUSE|A0A075B5X6|Ighv1-67
QVQLQQSGPELVRPGVSVKISCKGSGYTFTDYAMHWVKQSHAKSLEWIGVISTYYGDASYNQKFKDKATMTVDKSSSTAYMELARLTSEDSAVYYCAR
					

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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	86.3	Confident	95.7	Very high	206 Å²	206	106.6 Å²	106.6	96%	0.963	58%	0.577	S	S	*	*				0	140	0	-177.8	176	0.1	0	0	108.2
2	V	93.2	Very high	95.7	Very high	62 Å²	62	102.8 Å²	102.8	38%	0.376	56%	0.559	S	S	.	*			trans	-73.5	139.2	179.4	170.3	0	0	0	0	110.4	Y27 R98	V2-Y27 HydrophobicContact CG1-CD1 3.97Å; V2-Y27 HydrophobicContact CG1-CE1 4.15Å; V2-Y27 HydrophobicContact CG2-CD1 4.29Å; V2-R98 VanDerWaalsContact CG2-NH1 3.26Å
3	Q	97.4	Very high	95.7	Very high	119 Å²	119	110.7 Å²	110.7	56%	0.556	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.5	136.8	176.2	-64	-177.9	-12.2	0	0	111	S25	Q3-S25 PolarHBondContact N-O 2.72Å; Q3-S25 PolarHBondContact O-N 3.19Å
4	L	98.1	Very high	95.7	Very high	60 Å²	60	109.9 Å²	109.9	31%	0.314	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.9	123.8	169.8	-61.9	-178.2	0	0	0	108.3	K23 Y27 M34 R98	L4-K23 CarbonylContact C-O 3.57Å; L4-K23 WeakPolarHBondContact CA-O 3.37Å; L4-Y27 HydrophobicContact CD2-CE1 4.36Å; L4-M34 HydrophobicContact CD1-SD 4.41Å; L4-M34 HydrophobicContact CD2-CE 3.89Å; L4-M34 HydrophobicContact CD2-SD 4.43Å; L4-R98 HydrophobicContact CD1-CB 4.29Å; L4-R98 HydrophobicContact CD2-CB 4.47Å
5	Q	98.4	Very high	95.7	Very high	140 Å²	140	106.1 Å²	106.1	65%	0.654	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113	112.2	178.5	-175.3	179.1	28.3	0	0	109.6	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.38Å; Q5-K23 HydrophobicContact CB-CB 4.47Å; Q5-K23 PolarHBondContact N-O 3.35Å; Q5-K23 PolarHBondContact O-N 3.17Å
6	Q	98.4	Very high	95.8	Very high	63 Å²	63	103.2 Å²	103.2	29%	0.294	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	154.1	178.2	-71.6	-173.9	-122.5	0	0	112.6	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.52Å; Q6-S21 VanDerWaalsContact CA-O 3.24Å; Q6-S21 WeakPolarHBondContact CA-O 3.45Å; Q6-C22 HydrophobicContact CG-CB 4.21Å; Q6-Y94 PolarHBondContact NE2-O 3.07Å; Q6-C96 VanDerWaalsContact CD-SG 3.57Å; Q6-C96 HydrophobicContact CG-CB 4.45Å; Q6-C96 WeakPolarHBondContact CG-SG 3.31Å
7	S	97.8	Very high	95.9	Very high	37 Å²	37	100.5 Å²	100.5	26%	0.259	56%	0.556	S	S	.	*			trans	-59.1	153.5	164.4	55.8	0	0	0	0	111.2	I20 S21	S7-I20 WeakPolarHBondContact OG-CA 3.45Å; S7-I20 WeakPolarHBondContact OG-CG2 3.38Å; S7-S21 WeakPolarHBondContact CB-OG 3.48Å; S7-S21 PolarHBondContact N-O 3.2Å; S7-S21 PolarHBondContact OG-N 3.48Å; S7-S21 VanDerWaalsContact OG-N 3.07Å
8	G	96.3	Very high	96	Very high	54 Å²	54	95.8 Å²	95.8	56%	0.557	53%	0.53	S	S	*	.			trans	-68.6	175.1	179.5	0	0	0	0	0	113.7
9	P	96	Very high	96.1	Very high	141 Å²	141	96.5 Å²	96.5	92%	0.916	53%	0.527	S	S	*	.			trans	-66.2	145.7	175.5	29.7	-35.1	0	0	0	111.1
10	E	95.5	Very high	96.3	Very high	111 Å²	111	92.6 Å²	92.6	52%	0.519	51%	0.505	S	S	.	.			trans	-124.1	132.7	176.7	-66.9	-168.9	-144.3	0	0	110.8	V12 V18	E10-V12 HydrophobicContact CB-CG1 4.24Å; E10-V18 HydrophobicContact CB-CG2 4.11Å; E10-V18 VanDerWaalsContact CD-CG2 3.47Å; E10-V18 HydrophobicContact CG-CG2 4.26Å; E10-V18 VanDerWaalsContact OE2-CG2 3.28Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.06Å
11	L	95.9	Very high	96.4	Very high	180 Å²	180	89.7 Å²	89.7	94%	0.942	49%	0.492	S	S	*	.			trans	-104	111.4	171.8	179.9	64.1	0	0	0	108.7
12	V	95.3	Very high	97	Very high	60 Å²	60	79.9 Å²	79.9	36%	0.364	45%	0.446	S	S	.	.			trans	-132.4	162.9	-174.2	-59.7	0	0	0	0	111.4	E10 V16 L86	E10-V12 HydrophobicContact CB-CG1 4.24Å; V12-V16 HydrophobicContact CB-CG2 3.72Å; V12-V16 HydrophobicContact CG1-CG2 4.5Å; V12-V16 HydrophobicContact CG2-CG2 3.84Å; V12-L86 HydrophobicContact CG2-CD1 3.41Å; V12-L86 VanDerWaalsContact CG2-CD1 3.41Å
13	R	95.2	Very high	97.2	Very high	206 Å²	206	81.4 Å²	81.4	78%	0.777	45%	0.448	S	S	*	.			trans	-84.5	151.6	178.8	-63	-179.1	-175.3	176.1	1.6	110.8	V16	R13-V16 WeakPolarHBondContact O-CG2 3.32Å
14	P	95.6	Very high	97.2	Very high	100 Å²	100	75.9 Å²	75.9	65%	0.649	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	149.2	169.9	-25.1	34.7	0	0	0	112.6	V16 L86	P14-V16 VanDerWaalsContact C-N 3.32Å; P14-V16 PolarHBondContact O-N 3.15Å; P14-L86 CarbonylContact C-O 3.5Å; P14-L86 VanDerWaalsContact CA-O 3.31Å; P14-L86 WeakPolarHBondContact CA-O 3.37Å
15	G	96.7	Very high	97.2	Very high	52 Å²	52	75.2 Å²	75.2	54%	0.536	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-20.1	179.6	0	0	0	0	0	115	L86	G15-L86 PolarHBondContact N-O 3.45Å
16	V	97.5	Very high	97.2	Very high	60 Å²	60	71.3 Å²	71.3	36%	0.364	42%	0.42	S	S	.	.			trans	-80.5	171	176.2	-48.2	0	0	0	0	111.7	V12 R13 P14 R85 L86	V12-V16 HydrophobicContact CB-CG2 3.72Å; V12-V16 HydrophobicContact CG1-CG2 4.5Å; V12-V16 HydrophobicContact CG2-CG2 3.84Å; R13-V16 WeakPolarHBondContact O-CG2 3.32Å; P14-V16 VanDerWaalsContact C-N 3.32Å; P14-V16 PolarHBondContact O-N 3.15Å; V16-R85 PolarHBondContact O-N 3.07Å; V16-L86 HydrophobicContact CG2-CD1 4.3Å; V16-L86 WeakPolarHBondContact O-CG 3.21Å; V16-L86 PolarHBondContact O-N 3.49Å
17	S	97.5	Very high	97	Very high	58 Å²	58	70.4 Å²	70.4	41%	0.406	41%	0.414	S	S	.	.			trans	-103.6	152.6	170	-54.5	0	0	0	0	110.8	E82 L83 A84	S17-E82 WeakPolarHBondContact CB-OE1 3.38Å; S17-L83 CarbonylContact C-O 3.52Å; S17-L83 WeakPolarHBondContact CA-O 3.18Å; S17-A84 WeakPolarHBondContact OG-CA 3.27Å
18	V	97.6	Very high	97	Very high	16 Å²	16	72.4 Å²	72.4	10%	0.097	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.4	171.8	66.8	0	0	0	0	110.2	E10 E82 L83 L86	E10-V18 HydrophobicContact CB-CG2 4.11Å; E10-V18 VanDerWaalsContact CD-CG2 3.47Å; E10-V18 HydrophobicContact CG-CG2 4.26Å; E10-V18 VanDerWaalsContact OE2-CG2 3.28Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.06Å; V18-E82 CarbonylContact O-C 3.57Å; V18-E82 VanDerWaalsContact O-CA 3.24Å; V18-E82 WeakPolarHBondContact O-CA 3.49Å; V18-L83 HydrophobicContact CG1-CB 4.07Å; V18-L83 PolarHBondContact N-O 3.38Å; V18-L83 PolarHBondContact O-N 2.55Å; V18-L86 HydrophobicContact CB-CD1 3.99Å; V18-L86 HydrophobicContact CG1-CD1 3.76Å; V18-L86 HydrophobicContact CG1-CD2 4.22Å; V18-L86 HydrophobicContact CG1-CG 4.48Å
19	K	98	Very high	97	Very high	109 Å²	109	70.2 Å²	70.2	47%	0.474	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.1	179	-174.1	177.3	-177.5	177.2	0	110.8	Y80	K19-Y80 HydrophobicContact CD-CD1 4.37Å; K19-Y80 VanDerWaalsContact CE-CD1 3.43Å; K19-Y80 HydrophobicContact CG-CD1 4.36Å
20	I	98.4	Very high	97.1	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.087	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.9	179.1	-50.8	-176.6	0	0	0	108.7	S7 W36 Y80 M81 Y94	S7-I20 WeakPolarHBondContact OG-CA 3.45Å; S7-I20 WeakPolarHBondContact OG-CG2 3.38Å; I20-W36 HydrophobicContact CB-CH2 4.4Å; I20-W36 HydrophobicContact CB-CZ3 4.24Å; I20-W36 HydrophobicContact CG2-CH2 3.98Å; I20-W36 HydrophobicContact CG2-CZ3 3.66Å; I20-Y80 CarbonylContact O-C 3.54Å; I20-Y80 VanDerWaalsContact O-CA 3.22Å; I20-Y80 WeakPolarHBondContact O-CA 3.45Å; I20-M81 HydrophobicContact CD1-CE 3.73Å; I20-M81 HydrophobicContact CG1-CE 4.43Å; I20-M81 PolarHBondContact N-O 2.88Å; I20-M81 PolarHBondContact O-N 3.18Å; I20-Y94 HydrophobicContact CD1-CD1 4.43Å; I20-Y94 HydrophobicContact CD1-CD2 4.04Å; I20-Y94 HydrophobicContact CD1-CG 3.77Å
21	S	98.6	Very high	97.1	Very high	32 Å²	32	65.6 Å²	65.6	22%	0.224	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	152.1	174.5	72	0	0	0	0	111.6	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.52Å; Q6-S21 VanDerWaalsContact CA-O 3.24Å; Q6-S21 WeakPolarHBondContact CA-O 3.45Å; S7-S21 WeakPolarHBondContact CB-OG 3.48Å; S7-S21 PolarHBondContact N-O 3.2Å; S7-S21 PolarHBondContact OG-N 3.48Å; S7-S21 VanDerWaalsContact OG-N 3.07Å; S21-A79 CarbonylContact C-O 3.54Å; S21-Y80 VanDerWaalsContact CB-CD1 3.48Å; S21-Y80 VanDerWaalsContact CB-CE1 3.44Å
22	C	98.8	Very high	97.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	108.2	172.9	177.5	0	0	0	0	110.2	Q5 Q6 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.38Å; Q6-C22 HydrophobicContact CG-CB 4.21Å; C22-W36 HydrophobicContact CB-CH2 3.47Å; C22-W36 VanDerWaalsContact CB-CH2 3.47Å; C22-W36 HydrophobicContact CB-CZ2 3.85Å; C22-W36 HydrophobicContact CB-CZ3 4.28Å; C22-T78 WeakPolarHBondContact O-CA 3.49Å; C22-A79 PolarHBondContact N-O 2.86Å; C22-A79 PolarHBondContact O-N 2.9Å; C22-C96 HydrophobicContact CB-CB 3.41Å; C22-C96 VanDerWaalsContact CB-CB 3.41Å; C22-C96 WeakPolarHBondContact CB-SG 3.35Å; C22-C96 WeakPolarHBondContact SG-CB 3.37Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.87Å
23	K	98.6	Very high	97.2	Very high	95 Å²	95	61.6 Å²	61.6	41%	0.413	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.8	178.7	-175.5	176.2	-177.4	178.8	0	110.6	L4 Q5 S76 S77 T78	L4-K23 CarbonylContact C-O 3.57Å; L4-K23 WeakPolarHBondContact CA-O 3.37Å; Q5-K23 HydrophobicContact CB-CB 4.47Å; Q5-K23 PolarHBondContact N-O 3.35Å; Q5-K23 PolarHBondContact O-N 3.17Å; K23-S76 WeakPolarHBondContact CE-O 3.36Å; K23-S77 WeakPolarHBondContact CA-O 3Å; K23-T78 HydrophobicContact CB-CG2 4.41Å
24	G	98.1	Very high	97.4	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.6	174.2	0	0	0	0	0	112.2	S77	G24-S77 PolarHBondContact N-O 3.26Å; G24-S77 WeakPolarHBondContact O-CB 3.1Å
25	S	97.7	Very high	97.5	Very high	47 Å²	47	50.3 Å²	50.3	33%	0.329	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	161	173.9	62.3	0	0	0	0	112.2	Q3 Y27	Q3-S25 PolarHBondContact N-O 2.72Å; Q3-S25 PolarHBondContact O-N 3.19Å; S25-Y27 WeakPolarHBondContact O-CD1 3.44Å
26	G	96.9	Very high	97.6	Very high	57 Å²	57	47.8 Å²	47.8	59%	0.588	27%	0.268	S	S	*	.	S	Bend	trans	79.8	18.2	-176.8	0	0	0	0	0	114.7
27	Y	95.5	Very high	97.7	Very high	45 Å²	45	46.3 Å²	46.3	18%	0.176	26%	0.259	C	S	.	.	S	Bend	trans	-161.7	170.3	173.6	68.2	-75.8	0	0	0	110.2	V2 L4 S25 F29 Y32 R98	V2-Y27 HydrophobicContact CG1-CD1 3.97Å; V2-Y27 HydrophobicContact CG1-CE1 4.15Å; V2-Y27 HydrophobicContact CG2-CD1 4.29Å; L4-Y27 HydrophobicContact CD2-CE1 4.36Å; S25-Y27 WeakPolarHBondContact O-CD1 3.44Å; Y27-F29 VanDerWaalsContact CE2-CA 3.45Å; Y27-F29 HydrophobicContact CE2-CB 4.47Å; Y27-F29 HydrophobicContact CE2-CD2 4.43Å; Y27-F29 PolarHBondContact O-N 3.27Å; Y27-F29 VanDerWaalsContact O-N 3.11Å; Y27-F29 WeakPolarHBondContact OH-CD2 3.41Å; Y27-Y32 AromaticContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CE2 4.08Å; Y27-Y32 AromaticContact CE2-CD2 3.97Å; Y27-Y32 HydrophobicContact CE2-CD2 3.97Å; Y27-R98 VanDerWaalsContact CE1-NH1 3.33Å; Y27-R98 HydrophobicContact CE2-CG 4.12Å; Y27-R98 WeakPolarHBondContact OH-CD 3.34Å
28	T	96.8	Very high	97.7	Very high	78 Å²	78	44.3 Å²	44.3	48%	0.479	24%	0.243	S	C	.	.			trans	-71.9	100.7	170.4	-49.4	0	0	0	0	109.7	T30 D31	T28-T30 PolarHBondContact O-N 3.18Å; T28-T30 VanDerWaalsContact O-N 3.14Å; T28-D31 WeakPolarHBondContact CB-OD2 3.29Å; T28-D31 HydrophobicContact CG2-CB 4.29Å; T28-D31 WeakPolarHBondContact CG2-OD1 3.49Å; T28-D31 VanDerWaalsContact CG2-OD2 3.3Å; T28-D31 WeakPolarHBondContact CG2-OD2 3.17Å; T28-D31 PolarHBondContact O-N 3.15Å; T28-D31 PolarHBondContact OG1-OD2 2.98Å
29	F	97.2	Very high	97.7	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-51.7	-40.8	-174	178.4	-106.2	0	0	0	113.3	Y27 D31 M34 T53 V72 S77 A79	Y27-F29 VanDerWaalsContact CE2-CA 3.45Å; Y27-F29 HydrophobicContact CE2-CB 4.47Å; Y27-F29 HydrophobicContact CE2-CD2 4.43Å; Y27-F29 PolarHBondContact O-N 3.27Å; Y27-F29 VanDerWaalsContact O-N 3.11Å; Y27-F29 WeakPolarHBondContact OH-CD2 3.41Å; F29-D31 VanDerWaalsContact C-N 3.32Å; F29-D31 PolarHBondContact O-N 3.04Å; F29-M34 HydrophobicContact CE2-CE 3.78Å; F29-T53 HydrophobicContact CD1-CG2 4.34Å; F29-T53 HydrophobicContact CE1-CG2 3.77Å; F29-T53 HydrophobicContact CE2-CG2 4.05Å; F29-T53 HydrophobicContact CZ-CG2 3.59Å; F29-T53 PolarHBondContact O-OG1 3.02Å; F29-V72 HydrophobicContact CE1-CG2 3.47Å; F29-V72 VanDerWaalsContact CE1-CG2 3.47Å; F29-V72 HydrophobicContact CZ-CG2 3.84Å; F29-S77 WeakPolarHBondContact CD2-O 3.49Å; F29-S77 VanDerWaalsContact CE2-O 3.29Å; F29-S77 WeakPolarHBondContact CE2-O 3.38Å; F29-A79 HydrophobicContact CZ-CB 4.28Å
30	T	97.5	Very high	97.4	Very high	43 Å²	43	42.3 Å²	42.3	26%	0.264	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-73.1	-15	-176.7	51	0	0	0	0	114.9	T28 Y32 T53 Y54 K74	T28-T30 PolarHBondContact O-N 3.18Å; T28-T30 VanDerWaalsContact O-N 3.14Å; T30-Y32 PolarHBondContact O-N 3.46Å; T30-T53 WeakPolarHBondContact CA-OG1 2.99Å; T30-T53 PolarHBondContact O-OG1 2.82Å; T30-Y54 WeakPolarHBondContact O-CB 3Å; T30-K74 HydrophobicContact CG2-CG 4.49Å
31	D	96.4	Very high	97	Very high	112 Å²	112	48.8 Å²	48.8	60%	0.599	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-80.8	-5	-175.7	-67.8	-4.6	0	0	0	112.9	T28 F29	T28-D31 WeakPolarHBondContact CB-OD2 3.29Å; T28-D31 HydrophobicContact CG2-CB 4.29Å; T28-D31 WeakPolarHBondContact CG2-OD1 3.49Å; T28-D31 VanDerWaalsContact CG2-OD2 3.3Å; T28-D31 WeakPolarHBondContact CG2-OD2 3.17Å; T28-D31 PolarHBondContact O-N 3.15Å; T28-D31 PolarHBondContact OG1-OD2 2.98Å; F29-D31 VanDerWaalsContact C-N 3.32Å; F29-D31 PolarHBondContact O-N 3.04Å
32	Y	95.5	Very high	96.6	Very high	121 Å²	121	51.4 Å²	51.4	48%	0.475	29%	0.292	S	S	.	.	S	Bend	trans	-136.2	152.8	-173.6	-62.9	-90.4	0	0	0	112.2	Y27 T30 T53 R98	Y27-Y32 AromaticContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CD2 3.68Å; Y27-Y32 HydrophobicContact CD2-CE2 4.08Å; Y27-Y32 AromaticContact CE2-CD2 3.97Å; Y27-Y32 HydrophobicContact CE2-CD2 3.97Å; T30-Y32 PolarHBondContact O-N 3.46Å; Y32-T53 WeakPolarHBondContact O-CB 3.19Å; Y32-T53 WeakPolarHBondContact O-CG2 3.46Å; Y32-T53 PolarHBondContact O-OG1 3.02Å; Y32-R98 VanDerWaalsContact CB-CG 3.41Å; Y32-R98 HydrophobicContact CD1-CG 4.48Å; Y32-R98 HydrophobicContact CG-CG 3.99Å
33	A	97.7	Very high	96	Very high	35 Å²	35	59.5 Å²	59.5	29%	0.289	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	158.1	171	0	0	0	0	0	111.6	V50 I51 R98	A33-V50 HydrophobicContact CB-CG2 3.48Å; A33-V50 VanDerWaalsContact CB-CG2 3.48Å; A33-I51 CarbonylContact C-O 3.59Å; A33-I51 WeakPolarHBondContact CA-O 3.46Å; A33-I51 WeakPolarHBondContact CB-O 3.45Å; A33-R98 WeakPolarHBondContact O-CG 3.28Å
34	M	98.4	Very high	95.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	172.5	-169.6	70.5	71.7	0	0	109.7	L4 F29 V50 I51 T53 A79 C96 A97 R98	L4-M34 HydrophobicContact CD1-SD 4.41Å; L4-M34 HydrophobicContact CD2-CE 3.89Å; L4-M34 HydrophobicContact CD2-SD 4.43Å; F29-M34 HydrophobicContact CE2-CE 3.78Å; M34-V50 CarbonylContact O-C 3.49Å; M34-V50 VanDerWaalsContact O-CA 3.3Å; M34-V50 WeakPolarHBondContact O-CA 3.26Å; M34-V50 WeakPolarHBondContact O-CG2 3.39Å; M34-I51 HydrophobicContact CB-CG2 3.98Å; M34-I51 PolarHBondContact N-O 2.75Å; M34-I51 PolarHBondContact O-N 2.94Å; M34-T53 HydrophobicContact CB-CG2 4.25Å; M34-A79 HydrophobicContact CB-CB 3.96Å; M34-A79 HydrophobicContact CE-CB 4.34Å; M34-A79 HydrophobicContact CG-CB 3.81Å; M34-C96 HydrophobicContact CG-CB 4.22Å; M34-C96 HydrophobicContact SD-CB 3.81Å; M34-A97 VanDerWaalsContact SD-O 3.33Å; M34-R98 HydrophobicContact SD-CB 4.25Å
35	H	98.7	Very high	95.6	Very high	69 Å²	69	63.9 Å²	63.9	32%	0.319	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147	174.9	-66.4	-104.4	0	0	0	110.7	W47 G49 C96 A97	H35-W47 AromaticContact ND1-NE1 3.37Å; H35-W47 PolarHBondContact ND1-NE1 3.39Å; H35-G49 WeakPolarHBondContact CA-O 3.17Å; H35-C96 CarbonylContact O-C 3.59Å; H35-C96 VanDerWaalsContact O-CA 3.26Å; H35-C96 WeakPolarHBondContact O-CA 3.11Å; H35-A97 HydrophobicContact CB-CB 4.39Å; H35-A97 PolarHBondContact N-O 2.64Å; H35-A97 PolarHBondContact O-N 3.36Å
36	W	98.7	Very high	95.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.3	172.6	-66.6	95	0	0	0	110.6	I20 C22 I48 G49 M70 A79 M81 Y95 C96	I20-W36 HydrophobicContact CB-CH2 4.4Å; I20-W36 HydrophobicContact CB-CZ3 4.24Å; I20-W36 HydrophobicContact CG2-CH2 3.98Å; I20-W36 HydrophobicContact CG2-CZ3 3.66Å; C22-W36 HydrophobicContact CB-CH2 3.47Å; C22-W36 VanDerWaalsContact CB-CH2 3.47Å; C22-W36 HydrophobicContact CB-CZ2 3.85Å; C22-W36 HydrophobicContact CB-CZ3 4.28Å; W36-I48 HydrophobicContact CB-CB 4.18Å; W36-I48 HydrophobicContact CB-CD1 4.35Å; W36-I48 WeakPolarHBondContact O-CB 3.23Å; W36-I48 PolarHBondContact O-N 2.74Å; W36-G49 PolarHBondContact N-O 2.72Å; W36-M70 VanDerWaalsContact CD1-SD 3.59Å; W36-A79 HydrophobicContact CZ2-CB 4.32Å; W36-M81 HydrophobicContact CB-SD 3.76Å; W36-M81 HydrophobicContact CD2-CB 3.73Å; W36-M81 HydrophobicContact CD2-CG 4.47Å; W36-M81 HydrophobicContact CD2-SD 4.14Å; W36-M81 HydrophobicContact CE3-CB 4.14Å; W36-M81 HydrophobicContact CE3-CE 4.15Å; W36-M81 HydrophobicContact CE3-SD 4.36Å; W36-M81 HydrophobicContact CG-CB 4.09Å; W36-M81 HydrophobicContact CG-CG 4.43Å; W36-M81 HydrophobicContact CG-SD 3.91Å; W36-M81 HydrophobicContact CH2-CB 4.34Å; W36-M81 HydrophobicContact CZ2-CB 3.99Å; W36-M81 HydrophobicContact CZ3-CB 4.43Å; W36-Y95 WeakPolarHBondContact CA-O 3.21Å; W36-C96 HydrophobicContact CD2-CB 4.24Å; W36-C96 HydrophobicContact CE3-CB 3.87Å; W36-C96 HydrophobicContact CH2-CB 3.94Å; W36-C96 HydrophobicContact CZ2-CB 4.26Å; W36-C96 HydrophobicContact CZ3-CB 3.71Å
37	V	98.5	Very high	95.6	Very high	29 Å²	29	66 Å²	66	18%	0.176	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.3	-175.3	-176.7	0	0	0	0	109.7	L45 E46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 4.08Å; V37-L45 HydrophobicContact CG1-CD2 4.07Å; V37-E46 WeakPolarHBondContact CA-O 3.4Å; V37-Y94 WeakPolarHBondContact O-CA 3.3Å; V37-Y95 PolarHBondContact N-O 3.41Å; V37-Y95 PolarHBondContact O-N 3.4Å
38	K	97.8	Very high	95.8	Very high	16 Å²	16	63.8 Å²	63.8	7%	0.07	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.8	170.1	-175.4	-179.4	-179	-177.7	0	109.1	E46 I48 F64 E89 D90 A92 Y94	K38-E46 HydrophobicContact CB-CB 4.47Å; K38-E46 PolarHBondContact N-O 2.83Å; K38-E46 PolarHBondContact O-N 3.32Å; K38-I48 HydrophobicContact CB-CD1 4Å; K38-I48 HydrophobicContact CB-CG1 4.13Å; K38-F64 HydrophobicContact CB-CZ 4.37Å; K38-F64 HydrophobicContact CD-CE1 4.08Å; K38-F64 HydrophobicContact CD-CZ 3.95Å; K38-E89 PolarHBondContact NZ-O 3.19Å; K38-D90 IonicContact NZ-OD1 2.53Å; K38-A92 HydrophobicContact CD-CB 4.11Å; K38-A92 VanDerWaalsContact CE-CB 3.4Å; K38-A92 HydrophobicContact CG-CB 3.57Å; K38-Y94 HydrophobicContact CB-CD1 4.15Å; K38-Y94 HydrophobicContact CB-CE1 3.87Å; K38-Y94 HydrophobicContact CD-CE1 4.03Å; K38-Y94 HydrophobicContact CG-CD1 4.29Å; K38-Y94 HydrophobicContact CG-CE1 3.72Å
39	Q	97.4	Very high	95.9	Very high	49 Å²	49	60.1 Å²	60.1	23%	0.229	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.4	167.6	-175.2	175.1	43.8	0	0	109.4	S44 L45 A92 V93 Y95	Q39-S44 WeakPolarHBondContact CA-O 3.41Å; Q39-L45 HydrophobicContact CB-CD2 3.76Å; Q39-L45 HydrophobicContact CG-CD2 3.86Å; Q39-A92 WeakPolarHBondContact O-CB 3.14Å; Q39-V93 HydrophobicContact CB-CB 4.4Å; Q39-V93 PolarHBondContact N-O 2.53Å; Q39-V93 PolarHBondContact O-N 3.45Å; Q39-Y95 HydrophobicContact CB-CD2 4.24Å; Q39-Y95 HydrophobicContact CB-CE2 3.64Å; Q39-Y95 HydrophobicContact CG-CE2 4.43Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.26Å; Q39-Y95 PolarHBondContact OE1-OH 3.14Å
40	S	91.9	Very high	95.9	Very high	34 Å²	34	61 Å²	61	24%	0.238	32%	0.319	C	S	.	.			trans	-71.6	167.2	178.1	77.3	0	0	0	0	111.9	A42 K43 S44	S40-A42 PolarHBondContact O-N 2.82Å; S40-A42 PolarHBondContact OG-N 2.74Å; S40-K43 WeakPolarHBondContact O-CA 3.24Å; S40-K43 PolarHBondContact O-N 2.83Å; S40-S44 PolarHBondContact N-O 3.01Å; S40-S44 PolarHBondContact OG-N 2.97Å; S40-S44 PolarHBondContact OG-OG 2.76Å
41	H	89.8	Confident	96	Very high	152 Å²	152	59 Å²	59	70%	0.704	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.6	171.9	-67.2	-76.7	0	0	0	113.4	K43 S91	H41-K43 PolarHBondContact O-N 2.85Å; H41-S91 PolarHBondContact CD2-O 2.8Å; H41-S91 PolarHBondContact NE2-O 2.78Å
42	A	90.1	Very high	96.1	Very high	88 Å²	88	54.8 Å²	54.8	73%	0.727	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	7.2	173.4	0	0	0	0	0	113.1	S40 S44	S40-A42 PolarHBondContact O-N 2.82Å; S40-A42 PolarHBondContact OG-N 2.74Å; A42-S44 PolarHBondContact O-N 3.39Å; A42-S44 VanDerWaalsContact O-N 3.15Å
43	K	85.8	Confident	96.2	Very high	170 Å²	170	49.1 Å²	49.1	74%	0.739	26%	0.264	S	S	*	.			trans	61.8	11.4	-176	-56.6	-176.9	178.2	-179.4	0	114.9	S40 H41	S40-K43 WeakPolarHBondContact O-CA 3.24Å; S40-K43 PolarHBondContact O-N 2.83Å; H41-K43 PolarHBondContact O-N 2.85Å
44	S	93	Very high	96.2	Very high	67 Å²	67	53.6 Å²	53.6	47%	0.469	27%	0.274	S	S	.	.			trans	-70.7	135.5	171.3	61.8	0	0	0	0	110.3	Q39 S40 A42	Q39-S44 WeakPolarHBondContact CA-O 3.41Å; S40-S44 PolarHBondContact N-O 3.01Å; S40-S44 PolarHBondContact OG-N 2.97Å; S40-S44 PolarHBondContact OG-OG 2.76Å; A42-S44 PolarHBondContact O-N 3.39Å; A42-S44 VanDerWaalsContact O-N 3.15Å
45	L	96.7	Very high	96.2	Very high	121 Å²	121	62.1 Å²	62.1	63%	0.634	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.6	173.6	-63.9	177.4	0	0	0	109.1	V37 Q39	V37-L45 HydrophobicContact CG1-CB 4.08Å; V37-L45 HydrophobicContact CG1-CD2 4.07Å; Q39-L45 HydrophobicContact CB-CD2 3.76Å; Q39-L45 HydrophobicContact CG-CD2 3.86Å
46	E	97	Very high	96.1	Very high	53 Å²	53	60.4 Å²	60.4	25%	0.248	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.5	178.3	-168.2	173.1	-144.2	0	0	108.9	V37 K38 I48 K63 F64	V37-E46 WeakPolarHBondContact CA-O 3.4Å; K38-E46 HydrophobicContact CB-CB 4.47Å; K38-E46 PolarHBondContact N-O 2.83Å; K38-E46 PolarHBondContact O-N 3.32Å; E46-I48 PolarHBondContact O-N 3.44Å; E46-K63 WeakPolarHBondContact OE1-CD 3.45Å; E46-K63 WeakPolarHBondContact OE1-CE 3.26Å; E46-K63 IonicContact OE1-NZ 2.74Å; E46-K63 PolarHBondContact OE1-NZ 2.96Å; E46-K63 IonicContact OE2-NZ 3.83Å; E46-K63 PolarHBondContact OE2-NZ 3.11Å; E46-F64 HydrophobicContact CG-CE2 3.81Å; E46-F64 HydrophobicContact CG-CZ 4.21Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.04Å
47	W	98.1	Very high	96.1	Very high	95 Å²	95	65 Å²	65	36%	0.36	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.9	177.3	179.1	74.8	0	0	0	110.1	H35 G49 V50 N61	H35-W47 AromaticContact ND1-NE1 3.37Å; H35-W47 PolarHBondContact ND1-NE1 3.39Å; W47-G49 VanDerWaalsContact CE2-C 3.41Å; W47-G49 PolarHBondContact NE1-O 2.89Å; W47-V50 HydrophobicContact CZ2-CB 3.94Å; W47-V50 HydrophobicContact CZ2-CG1 3.79Å; W47-N61 HydrophobicContact CE3-CB 3.8Å; W47-N61 HydrophobicContact CZ3-CB 3.98Å; W47-N61 WeakPolarHBondContact O-CB 3.46Å; W47-N61 PolarHBondContact O-ND2 2.91Å
48	I	98.6	Very high	96	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-46.2	-178.9	-59.5	174.2	0	0	0	109.9	W36 K38 E46 N61 F64 A68 M70 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.18Å; W36-I48 HydrophobicContact CB-CD1 4.35Å; W36-I48 WeakPolarHBondContact O-CB 3.23Å; W36-I48 PolarHBondContact O-N 2.74Å; K38-I48 HydrophobicContact CB-CD1 4Å; K38-I48 HydrophobicContact CB-CG1 4.13Å; E46-I48 PolarHBondContact O-N 3.44Å; I48-N61 WeakPolarHBondContact O-CB 3.3Å; I48-N61 PolarHBondContact O-N 2.86Å; I48-F64 HydrophobicContact CB-CD2 4.35Å; I48-F64 HydrophobicContact CB-CG 4.28Å; I48-F64 HydrophobicContact CD1-CE1 4.49Å; I48-F64 HydrophobicContact CG1-CD1 4.17Å; I48-F64 HydrophobicContact CG1-CD2 4.3Å; I48-F64 HydrophobicContact CG1-CE1 4.04Å; I48-F64 HydrophobicContact CG1-CE2 4.17Å; I48-F64 HydrophobicContact CG1-CG 4.3Å; I48-F64 HydrophobicContact CG1-CZ 4.03Å; I48-F64 HydrophobicContact CG2-CB 3.77Å; I48-F64 HydrophobicContact CG2-CD1 3.97Å; I48-F64 HydrophobicContact CG2-CD2 4.29Å; I48-F64 HydrophobicContact CG2-CG 3.75Å; I48-A68 HydrophobicContact CG2-CB 3.78Å; I48-M70 HydrophobicContact CG2-CE 4.21Å; I48-M81 HydrophobicContact CB-SD 4.46Å; I48-M81 HydrophobicContact CD1-CE 3.98Å; I48-M81 HydrophobicContact CD1-SD 3.64Å; I48-M81 HydrophobicContact CG2-SD 3.85Å; I48-Y94 HydrophobicContact CD1-CD1 3.62Å; I48-Y94 HydrophobicContact CD1-CE1 3.75Å
49	G	98.6	Very high	96.1	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-174.5	-176.1	0	0	0	0	0	112.9	H35 W36 W47 S59	H35-G49 WeakPolarHBondContact CA-O 3.17Å; W36-G49 PolarHBondContact N-O 2.72Å; W47-G49 VanDerWaalsContact CE2-C 3.41Å; W47-G49 PolarHBondContact NE1-O 2.89Å; G49-S59 CarbonylContact C-O 3.59Å; G49-S59 WeakPolarHBondContact CA-O 3.22Å
50	V	98.7	Very high	96.1	Very high	28 Å²	28	68.2 Å²	68.2	17%	0.17	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.9	-179.7	64.8	0	0	0	0	109.6	A33 M34 W47 A58 S59	A33-V50 HydrophobicContact CB-CG2 3.48Å; A33-V50 VanDerWaalsContact CB-CG2 3.48Å; M34-V50 CarbonylContact O-C 3.49Å; M34-V50 VanDerWaalsContact O-CA 3.3Å; M34-V50 WeakPolarHBondContact O-CA 3.26Å; M34-V50 WeakPolarHBondContact O-CG2 3.39Å; W47-V50 HydrophobicContact CZ2-CB 3.94Å; W47-V50 HydrophobicContact CZ2-CG1 3.79Å; V50-A58 CarbonylContact O-C 3.45Å; V50-A58 VanDerWaalsContact O-CA 3.23Å; V50-A58 WeakPolarHBondContact O-CA 3.32Å; V50-S59 PolarHBondContact N-O 2.99Å; V50-S59 PolarHBondContact O-N 3.25Å
51	I	98.7	Very high	96.4	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.5	171.9	-176	166	0	0	0	110.5	A33 M34 T53 D57 A58 M70 V72 A79	A33-I51 CarbonylContact C-O 3.59Å; A33-I51 WeakPolarHBondContact CA-O 3.46Å; A33-I51 WeakPolarHBondContact CB-O 3.45Å; M34-I51 HydrophobicContact CB-CG2 3.98Å; M34-I51 PolarHBondContact N-O 2.75Å; M34-I51 PolarHBondContact O-N 2.94Å; I51-T53 PolarHBondContact O-N 2.8Å; I51-D57 WeakPolarHBondContact CA-O 3.41Å; I51-A58 HydrophobicContact CB-CB 4.13Å; I51-A58 HydrophobicContact CG1-CB 4.25Å; I51-M70 HydrophobicContact CB-CB 3.99Å; I51-M70 HydrophobicContact CB-SD 4.3Å; I51-M70 HydrophobicContact CD1-CB 3.96Å; I51-M70 HydrophobicContact CG2-CB 4.26Å; I51-V72 HydrophobicContact CD1-CB 4.17Å; I51-V72 HydrophobicContact CD1-CG1 4.35Å; I51-A79 HydrophobicContact CG2-CB 4.47Å
52	S	98.3	Very high	96.8	Very high	24 Å²	24	69.9 Å²	69.9	17%	0.168	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.3	168.3	176.9	0	0	0	0	109.4	Y54 Y55 G56 D57	S52-Y54 VanDerWaalsContact C-N 3.3Å; S52-Y54 PolarHBondContact O-N 3.09Å; S52-Y55 WeakPolarHBondContact OG-CD2 3.24Å; S52-Y55 PolarHBondContact OG-N 3.19Å; S52-Y55 VanDerWaalsContact OG-N 3.07Å; S52-G56 WeakPolarHBondContact O-CA 3.48Å; S52-G56 PolarHBondContact O-N 2.95Å; S52-D57 WeakPolarHBondContact CB-OD1 3.37Å; S52-D57 PolarHBondContact N-O 2.89Å
53	T	98.2	Very high	97	Very high	1 Å²	1	72 Å²	72	1%	0.006	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.3	179.8	62	0	0	0	0	112.4	F29 T30 Y32 M34 I51 V72 K74	F29-T53 HydrophobicContact CD1-CG2 4.34Å; F29-T53 HydrophobicContact CE1-CG2 3.77Å; F29-T53 HydrophobicContact CE2-CG2 4.05Å; F29-T53 HydrophobicContact CZ-CG2 3.59Å; F29-T53 PolarHBondContact O-OG1 3.02Å; T30-T53 WeakPolarHBondContact CA-OG1 2.99Å; T30-T53 PolarHBondContact O-OG1 2.82Å; Y32-T53 WeakPolarHBondContact O-CB 3.19Å; Y32-T53 WeakPolarHBondContact O-CG2 3.46Å; Y32-T53 PolarHBondContact O-OG1 3.02Å; M34-T53 HydrophobicContact CB-CG2 4.25Å; I51-T53 PolarHBondContact O-N 2.8Å; T53-V72 HydrophobicContact CG2-CG2 4.43Å; T53-K74 VanDerWaalsContact O-CE 3.31Å; T53-K74 WeakPolarHBondContact O-CE 3.23Å
54	Y	97.8	Very high	97.6	Very high	129 Å²	129	64 Å²	64	51%	0.506	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-48.8	173.9	-174.2	-99.8	0	0	0	112.6	T30 S52 K74	T30-Y54 WeakPolarHBondContact O-CB 3Å; S52-Y54 VanDerWaalsContact C-N 3.3Å; S52-Y54 PolarHBondContact O-N 3.09Å; Y54-K74 WeakPolarHBondContact O-CE 3.32Å; Y54-K74 PolarHBondContact O-NZ 2.87Å
55	Y	97.7	Very high	97.7	Very high	180 Å²	180	67.5 Å²	67.5	71%	0.706	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-27.5	-174.3	-63.8	-67.4	0	0	0	112.9	S52 D57	S52-Y55 WeakPolarHBondContact OG-CD2 3.24Å; S52-Y55 PolarHBondContact OG-N 3.19Å; S52-Y55 VanDerWaalsContact OG-N 3.07Å; Y55-D57 VanDerWaalsContact C-N 3.3Å; Y55-D57 WeakPolarHBondContact CB-OD1 3.39Å
56	G	97	Very high	97.7	Very high	32 Å²	32	68 Å²	68	33%	0.33	33%	0.331	S	S	.	.			trans	83	-1.2	-179.8	0	0	0	0	0	114.7	S52	S52-G56 WeakPolarHBondContact O-CA 3.48Å; S52-G56 PolarHBondContact O-N 2.95Å
57	D	97.5	Very high	97.7	Very high	96 Å²	96	67.4 Å²	67.4	51%	0.513	33%	0.327	S	S	.	.			trans	-75	146.5	172.8	66.2	-62.9	0	0	0	111.2	I51 S52 Y55	I51-D57 WeakPolarHBondContact CA-O 3.41Å; S52-D57 WeakPolarHBondContact CB-OD1 3.37Å; S52-D57 PolarHBondContact N-O 2.89Å; Y55-D57 VanDerWaalsContact C-N 3.3Å; Y55-D57 WeakPolarHBondContact CB-OD1 3.39Å
58	A	98.3	Very high	97.7	Very high	32 Å²	32	63 Å²	63	26%	0.264	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.1	-175.9	0	0	0	0	0	111.8	V50 I51 Y60 M70	V50-A58 CarbonylContact O-C 3.45Å; V50-A58 VanDerWaalsContact O-CA 3.23Å; V50-A58 WeakPolarHBondContact O-CA 3.32Å; I51-A58 HydrophobicContact CB-CB 4.13Å; I51-A58 HydrophobicContact CG1-CB 4.25Å; A58-Y60 HydrophobicContact CB-CE2 3.68Å; A58-M70 HydrophobicContact CB-CB 4.12Å; A58-M70 HydrophobicContact CB-SD 4.46Å
59	S	98.4	Very high	97.7	Very high	66 Å²	66	66.5 Å²	66.5	46%	0.462	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.8	172.1	-71.1	0	0	0	0	109.7	G49 V50	G49-S59 CarbonylContact C-O 3.59Å; G49-S59 WeakPolarHBondContact CA-O 3.22Å; V50-S59 PolarHBondContact N-O 2.99Å; V50-S59 PolarHBondContact O-N 3.25Å
60	Y	98.7	Very high	97.7	Very high	65 Å²	65	67 Å²	67	26%	0.255	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.8	-172.3	-59.2	-95.8	0	0	0	110.9	A58 A68 M70	A58-Y60 HydrophobicContact CB-CE2 3.68Å; Y60-A68 HydrophobicContact CD1-CB 4.12Å; Y60-A68 HydrophobicContact CE1-CB 4.1Å; Y60-A68 VanDerWaalsContact CE1-O 3.23Å; Y60-A68 WeakPolarHBondContact CE1-O 3.47Å; Y60-M70 HydrophobicContact CD1-CE 3.31Å; Y60-M70 HydrophobicContact CE1-CE 3.24Å; Y60-M70 HydrophobicContact CE1-CG 4.08Å; Y60-M70 HydrophobicContact CE1-SD 4.24Å; Y60-M70 HydrophobicContact CG-CE 4.23Å; Y60-M70 PolarHBondContact OH-N 2.88Å
61	N	98	Very high	97.7	Very high	48 Å²	48	68.7 Å²	68.7	26%	0.257	35%	0.346	S	S	.	.			trans	-64.1	136.4	158.2	-179.2	-33.6	0	0	0	108.9	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.8Å; W47-N61 HydrophobicContact CZ3-CB 3.98Å; W47-N61 WeakPolarHBondContact O-CB 3.46Å; W47-N61 PolarHBondContact O-ND2 2.91Å; I48-N61 WeakPolarHBondContact O-CB 3.3Å; I48-N61 PolarHBondContact O-N 2.86Å; N61-K63 PolarHBondContact O-N 2.9Å; N61-K63 VanDerWaalsContact O-N 3.09Å; N61-K63 PolarHBondContact OD1-N 2.83Å; N61-F64 HydrophobicContact CB-CD2 4.04Å; N61-F64 PolarHBondContact O-N 2.84Å; N61-K65 PolarHBondContact O-N 3.37Å; N61-K65 VanDerWaalsContact O-N 3.11Å
62	Q	97.5	Very high	97.7	Very high	173 Å²	173	70.4 Å²	70.4	81%	0.808	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-52	-36	-178	-171.4	173.8	2.2	0	0	113	F64 K65	Q62-F64 PolarHBondContact O-N 2.78Å; Q62-K65 PolarHBondContact O-N 2.99Å
63	K	95.3	Very high	97.7	Very high	131 Å²	131	71.9 Å²	71.9	57%	0.57	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.3	177.8	-170.3	-174.7	-177.2	-176	0	113.6	E46 N61	E46-K63 WeakPolarHBondContact OE1-CD 3.45Å; E46-K63 WeakPolarHBondContact OE1-CE 3.26Å; E46-K63 IonicContact OE1-NZ 2.74Å; E46-K63 PolarHBondContact OE1-NZ 2.96Å; E46-K63 IonicContact OE2-NZ 3.83Å; E46-K63 PolarHBondContact OE2-NZ 3.11Å; N61-K63 PolarHBondContact O-N 2.9Å; N61-K63 VanDerWaalsContact O-N 3.09Å; N61-K63 PolarHBondContact OD1-N 2.83Å
64	F	97.4	Very high	97.6	Very high	4 Å²	4	76.9 Å²	76.9	2%	0.018	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-108.1	-5.4	-176.4	-63.3	-88.5	0	0	0	113.3	K38 E46 I48 N61 Q62 D66 K67 A68	K38-F64 HydrophobicContact CB-CZ 4.37Å; K38-F64 HydrophobicContact CD-CE1 4.08Å; K38-F64 HydrophobicContact CD-CZ 3.95Å; E46-F64 HydrophobicContact CG-CE2 3.81Å; E46-F64 HydrophobicContact CG-CZ 4.21Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.04Å; I48-F64 HydrophobicContact CB-CD2 4.35Å; I48-F64 HydrophobicContact CB-CG 4.28Å; I48-F64 HydrophobicContact CD1-CE1 4.49Å; I48-F64 HydrophobicContact CG1-CD1 4.17Å; I48-F64 HydrophobicContact CG1-CD2 4.3Å; I48-F64 HydrophobicContact CG1-CE1 4.04Å; I48-F64 HydrophobicContact CG1-CE2 4.17Å; I48-F64 HydrophobicContact CG1-CG 4.3Å; I48-F64 HydrophobicContact CG1-CZ 4.03Å; I48-F64 HydrophobicContact CG2-CB 3.77Å; I48-F64 HydrophobicContact CG2-CD1 3.97Å; I48-F64 HydrophobicContact CG2-CD2 4.29Å; I48-F64 HydrophobicContact CG2-CG 3.75Å; N61-F64 HydrophobicContact CB-CD2 4.04Å; N61-F64 PolarHBondContact O-N 2.84Å; Q62-F64 PolarHBondContact O-N 2.78Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 2.83Å; F64-K67 PolarHBondContact O-N 2.87Å; F64-A68 HydrophobicContact CB-CB 4.08Å; F64-A68 PolarHBondContact O-N 2.87Å
65	K	95.7	Very high	97.6	Very high	139 Å²	139	76 Å²	76	60%	0.604	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.3	-172.8	-172.1	175.6	179.1	179.8	0	113.7	N61 Q62 K67	N61-K65 PolarHBondContact O-N 3.37Å; N61-K65 VanDerWaalsContact O-N 3.11Å; Q62-K65 PolarHBondContact O-N 2.99Å; K65-K67 VanDerWaalsContact C-N 3.34Å
66	D	96	Very high	97.6	Very high	132 Å²	132	69 Å²	69	71%	0.706	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	8.7	179.8	-57.9	-38.8	0	0	0	113.4	F64 R85	F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 2.83Å; D66-R85 PolarHBondContact O-NH2 2.85Å
67	K	96.5	Very high	97.6	Very high	40 Å²	40	69.3 Å²	69.3	17%	0.174	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-40.9	-171.8	-159.8	173.5	-162.8	166.6	0	113.5	F64 K65 L83 A84 D90	F64-K67 PolarHBondContact O-N 2.87Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K67-L83 CarbonylContact O-C 3.58Å; K67-L83 WeakPolarHBondContact O-CA 3.43Å; K67-A84 VanDerWaalsContact CE-O 3.29Å; K67-A84 WeakPolarHBondContact CE-O 3.28Å; K67-A84 WeakPolarHBondContact CG-O 3.49Å; K67-A84 PolarHBondContact O-N 2.89Å; K67-D90 WeakPolarHBondContact CE-OD1 3.43Å; K67-D90 WeakPolarHBondContact CE-OD2 3.39Å; K67-D90 IonicContact NZ-OD1 2.82Å; K67-D90 PolarHBondContact NZ-OD1 3.49Å; K67-D90 IonicContact NZ-OD2 2.78Å; K67-D90 PolarHBondContact NZ-OD2 3.48Å
68	A	98.4	Very high	97.7	Very high	2 Å²	2	65.1 Å²	65.1	2%	0.017	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.5	-179.6	0	0	0	0	0	110.5	I48 Y60 F64 M81 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.78Å; Y60-A68 HydrophobicContact CD1-CB 4.12Å; Y60-A68 HydrophobicContact CE1-CB 4.1Å; Y60-A68 VanDerWaalsContact CE1-O 3.23Å; Y60-A68 WeakPolarHBondContact CE1-O 3.47Å; F64-A68 HydrophobicContact CB-CB 4.08Å; F64-A68 PolarHBondContact O-N 2.87Å; A68-M81 HydrophobicContact CB-CG 4.48Å; A68-E82 CarbonylContact C-O 3.56Å; A68-E82 VanDerWaalsContact CA-O 3.26Å; A68-E82 WeakPolarHBondContact CA-O 3.36Å; A68-L83 HydrophobicContact CB-CD2 3.86Å
69	T	98.6	Very high	97.7	Very high	75 Å²	75	63.6 Å²	63.6	46%	0.46	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.2	167.4	-65.2	0	0	0	0	108.5	M81 E82	T69-M81 CarbonylContact O-C 3.57Å; T69-M81 WeakPolarHBondContact O-CA 3.39Å; T69-E82 PolarHBondContact N-O 2.82Å; T69-E82 PolarHBondContact O-N 2.82Å
70	M	98.7	Very high	97.7	Very high	9 Å²	9	63.1 Å²	63.1	4%	0.044	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.5	178.6	-64.3	170.2	-133.8	0	0	110.6	W36 I48 I51 A58 Y60 Y80 M81	W36-M70 VanDerWaalsContact CD1-SD 3.59Å; I48-M70 HydrophobicContact CG2-CE 4.21Å; I51-M70 HydrophobicContact CB-CB 3.99Å; I51-M70 HydrophobicContact CB-SD 4.3Å; I51-M70 HydrophobicContact CD1-CB 3.96Å; I51-M70 HydrophobicContact CG2-CB 4.26Å; A58-M70 HydrophobicContact CB-CB 4.12Å; A58-M70 HydrophobicContact CB-SD 4.46Å; Y60-M70 HydrophobicContact CD1-CE 3.31Å; Y60-M70 HydrophobicContact CE1-CE 3.24Å; Y60-M70 HydrophobicContact CE1-CG 4.08Å; Y60-M70 HydrophobicContact CE1-SD 4.24Å; Y60-M70 HydrophobicContact CG-CE 4.23Å; Y60-M70 PolarHBondContact OH-N 2.88Å; M70-Y80 VanDerWaalsContact CA-O 3.28Å; M70-Y80 WeakPolarHBondContact CA-O 3.2Å; M70-M81 HydrophobicContact CG-CB 4.42Å; M70-M81 HydrophobicContact CG-CG 4.31Å
71	T	98.6	Very high	97.7	Very high	65 Å²	65	60 Å²	60	40%	0.399	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.6	175.9	55.6	0	0	0	0	110.2	Y80	T71-Y80 PolarHBondContact N-O 3.04Å; T71-Y80 PolarHBondContact O-N 2.86Å
72	V	98.6	Very high	97.8	Very high	35 Å²	35	61.7 Å²	61.7	21%	0.212	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.4	179.8	68	0	0	0	0	111	F29 I51 T53	F29-V72 HydrophobicContact CE1-CG2 3.47Å; F29-V72 VanDerWaalsContact CE1-CG2 3.47Å; F29-V72 HydrophobicContact CZ-CG2 3.84Å; I51-V72 HydrophobicContact CD1-CB 4.17Å; I51-V72 HydrophobicContact CD1-CG1 4.35Å; T53-V72 HydrophobicContact CG2-CG2 4.43Å
73	D	98.3	Very high	97.8	Very high	55 Å²	55	53.4 Å²	53.4	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	104.9	165.4	174.1	10.7	0	0	0	108.8	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.32Å; D73-S75 PolarHBondContact O-N 2.8Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 3Å; D73-S75 PolarHBondContact OD1-OG 3.07Å; D73-S75 PolarHBondContact OD2-OG 2.02Å; D73-S76 PolarHBondContact OD1-N 2.81Å; D73-S76 VanDerWaalsContact OD2-CB 3.31Å; D73-S76 WeakPolarHBondContact OD2-CB 3.42Å; D73-S76 PolarHBondContact OD2-OG 2.76Å; D73-S77 PolarHBondContact O-N 2.87Å; D73-S77 VanDerWaalsContact O-N 3.15Å; D73-T78 PolarHBondContact N-O 2.95Å; D73-T78 PolarHBondContact O-N 2.95Å; D73-Y80 HydrophobicContact CB-CE2 4Å
74	K	97	Very high	97.9	Very high	106 Å²	106	48.5 Å²	48.5	46%	0.461	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34	-178.6	-60	175.5	-176.3	174.2	0	111.9	T30 T53 Y54 S76 S77	T30-K74 HydrophobicContact CG2-CG 4.49Å; T53-K74 VanDerWaalsContact O-CE 3.31Å; T53-K74 WeakPolarHBondContact O-CE 3.23Å; Y54-K74 WeakPolarHBondContact O-CE 3.32Å; Y54-K74 PolarHBondContact O-NZ 2.87Å; K74-S76 VanDerWaalsContact C-N 3.31Å; K74-S76 PolarHBondContact O-N 2.81Å; K74-S77 PolarHBondContact O-N 2.91Å
75	S	97.1	Very high	97.9	Very high	111 Å²	111	56 Å²	56	78%	0.776	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-36.5	-175.6	72.6	0	0	0	0	111.8	D73	D73-S75 VanDerWaalsContact C-N 3.32Å; D73-S75 PolarHBondContact O-N 2.8Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 3Å; D73-S75 PolarHBondContact OD1-OG 3.07Å; D73-S75 PolarHBondContact OD2-OG 2.02Å
76	S	97.9	Very high	98	Very high	34 Å²	34	50.2 Å²	50.2	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-0.7	176.1	67.3	0	0	0	0	114	K23 D73 K74 T78	K23-S76 WeakPolarHBondContact CE-O 3.36Å; D73-S76 PolarHBondContact OD1-N 2.81Å; D73-S76 VanDerWaalsContact OD2-CB 3.31Å; D73-S76 WeakPolarHBondContact OD2-CB 3.42Å; D73-S76 PolarHBondContact OD2-OG 2.76Å; K74-S76 VanDerWaalsContact C-N 3.31Å; K74-S76 PolarHBondContact O-N 2.81Å; S76-T78 VanDerWaalsContact C-N 3.29Å; S76-T78 PolarHBondContact O-N 2.89Å; S76-T78 PolarHBondContact O-OG1 2.86Å; S76-T78 WeakPolarHBondContact OG-CB 3.29Å; S76-T78 PolarHBondContact OG-OG1 2.89Å
77	S	98.2	Very high	98	Very high	37 Å²	37	46.9 Å²	46.9	26%	0.259	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	43.6	-172.5	-61.2	0	0	0	0	112.8	K23 G24 F29 D73 K74	K23-S77 WeakPolarHBondContact CA-O 3Å; G24-S77 PolarHBondContact N-O 3.26Å; G24-S77 WeakPolarHBondContact O-CB 3.1Å; F29-S77 WeakPolarHBondContact CD2-O 3.49Å; F29-S77 VanDerWaalsContact CE2-O 3.29Å; F29-S77 WeakPolarHBondContact CE2-O 3.38Å; D73-S77 PolarHBondContact O-N 2.87Å; D73-S77 VanDerWaalsContact O-N 3.15Å; K74-S77 PolarHBondContact O-N 2.91Å
78	T	98.7	Very high	97.8	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.3	-174.3	-50.8	0	0	0	0	111.2	C22 K23 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.49Å; K23-T78 HydrophobicContact CB-CG2 4.41Å; D73-T78 PolarHBondContact N-O 2.95Å; D73-T78 PolarHBondContact O-N 2.95Å; S76-T78 VanDerWaalsContact C-N 3.29Å; S76-T78 PolarHBondContact O-N 2.89Å; S76-T78 PolarHBondContact O-OG1 2.86Å; S76-T78 WeakPolarHBondContact OG-CB 3.29Å; S76-T78 PolarHBondContact OG-OG1 2.89Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.37Å; T78-Y80 HydrophobicContact CG2-CE1 3.8Å; T78-Y80 HydrophobicContact CG2-CE2 3.76Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.43Å
79	A	98.7	Very high	97.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.3	166.9	0	0	0	0	0	109.8	S21 C22 F29 M34 W36 I51	S21-A79 CarbonylContact C-O 3.54Å; C22-A79 PolarHBondContact N-O 2.86Å; C22-A79 PolarHBondContact O-N 2.9Å; F29-A79 HydrophobicContact CZ-CB 4.28Å; M34-A79 HydrophobicContact CB-CB 3.96Å; M34-A79 HydrophobicContact CE-CB 4.34Å; M34-A79 HydrophobicContact CG-CB 3.81Å; W36-A79 HydrophobicContact CZ2-CB 4.32Å; I51-A79 HydrophobicContact CG2-CB 4.47Å
80	Y	98.8	Very high	97.3	Very high	55 Å²	55	54.2 Å²	54.2	22%	0.216	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.7	177.4	-56.1	-91.8	0	0	0	110.6	K19 I20 S21 M70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.37Å; K19-Y80 VanDerWaalsContact CE-CD1 3.43Å; K19-Y80 HydrophobicContact CG-CD1 4.36Å; I20-Y80 CarbonylContact O-C 3.54Å; I20-Y80 VanDerWaalsContact O-CA 3.22Å; I20-Y80 WeakPolarHBondContact O-CA 3.45Å; S21-Y80 VanDerWaalsContact CB-CD1 3.48Å; S21-Y80 VanDerWaalsContact CB-CE1 3.44Å; M70-Y80 VanDerWaalsContact CA-O 3.28Å; M70-Y80 WeakPolarHBondContact CA-O 3.2Å; T71-Y80 PolarHBondContact N-O 3.04Å; T71-Y80 PolarHBondContact O-N 2.86Å; D73-Y80 HydrophobicContact CB-CE2 4Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.37Å; T78-Y80 HydrophobicContact CG2-CE1 3.8Å; T78-Y80 HydrophobicContact CG2-CE2 3.76Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.43Å
81	M	98.6	Very high	97.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121	167.3	-178.8	-170.4	66.2	0	0	108.8	I20 W36 I48 A68 T69 M70 L83 Y94	I20-M81 HydrophobicContact CD1-CE 3.73Å; I20-M81 HydrophobicContact CG1-CE 4.43Å; I20-M81 PolarHBondContact N-O 2.88Å; I20-M81 PolarHBondContact O-N 3.18Å; W36-M81 HydrophobicContact CB-SD 3.76Å; W36-M81 HydrophobicContact CD2-CB 3.73Å; W36-M81 HydrophobicContact CD2-CG 4.47Å; W36-M81 HydrophobicContact CD2-SD 4.14Å; W36-M81 HydrophobicContact CE3-CB 4.14Å; W36-M81 HydrophobicContact CE3-CE 4.15Å; W36-M81 HydrophobicContact CE3-SD 4.36Å; W36-M81 HydrophobicContact CG-CB 4.09Å; W36-M81 HydrophobicContact CG-CG 4.43Å; W36-M81 HydrophobicContact CG-SD 3.91Å; W36-M81 HydrophobicContact CH2-CB 4.34Å; W36-M81 HydrophobicContact CZ2-CB 3.99Å; W36-M81 HydrophobicContact CZ3-CB 4.43Å; I48-M81 HydrophobicContact CB-SD 4.46Å; I48-M81 HydrophobicContact CD1-CE 3.98Å; I48-M81 HydrophobicContact CD1-SD 3.64Å; I48-M81 HydrophobicContact CG2-SD 3.85Å; A68-M81 HydrophobicContact CB-CG 4.48Å; T69-M81 CarbonylContact O-C 3.57Å; T69-M81 WeakPolarHBondContact O-CA 3.39Å; M70-M81 HydrophobicContact CG-CB 4.42Å; M70-M81 HydrophobicContact CG-CG 4.31Å; M81-L83 HydrophobicContact CE-CD1 3.73Å; M81-L83 HydrophobicContact CE-CD2 4.36Å; M81-L83 HydrophobicContact CE-CG 3.9Å; M81-L83 HydrophobicContact SD-CD2 4.32Å; M81-L83 HydrophobicContact SD-CG 4.41Å; M81-Y94 HydrophobicContact CE-CD1 3.77Å; M81-Y94 HydrophobicContact CE-CE1 4.35Å; M81-Y94 HydrophobicContact CE-CG 4.35Å
82	E	98.6	Very high	97.1	Very high	83 Å²	83	55.5 Å²	55.5	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.8	169.4	-174.7	170.3	-159.7	0	0	109.9	S17 V18 A68 T69	S17-E82 WeakPolarHBondContact CB-OE1 3.38Å; V18-E82 CarbonylContact O-C 3.57Å; V18-E82 VanDerWaalsContact O-CA 3.24Å; V18-E82 WeakPolarHBondContact O-CA 3.49Å; A68-E82 CarbonylContact C-O 3.56Å; A68-E82 VanDerWaalsContact CA-O 3.26Å; A68-E82 WeakPolarHBondContact CA-O 3.36Å; T69-E82 PolarHBondContact N-O 2.82Å; T69-E82 PolarHBondContact O-N 2.82Å
83	L	98.2	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.4	172.7	-69.7	167.4	0	0	0	108.7	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.52Å; S17-L83 WeakPolarHBondContact CA-O 3.18Å; V18-L83 HydrophobicContact CG1-CB 4.07Å; V18-L83 PolarHBondContact N-O 3.38Å; V18-L83 PolarHBondContact O-N 2.55Å; K67-L83 CarbonylContact O-C 3.58Å; K67-L83 WeakPolarHBondContact O-CA 3.43Å; A68-L83 HydrophobicContact CB-CD2 3.86Å; M81-L83 HydrophobicContact CE-CD1 3.73Å; M81-L83 HydrophobicContact CE-CD2 4.36Å; M81-L83 HydrophobicContact CE-CG 3.9Å; M81-L83 HydrophobicContact SD-CD2 4.32Å; M81-L83 HydrophobicContact SD-CG 4.41Å; L83-L86 HydrophobicContact CB-CD2 3.82Å; L83-Y94 HydrophobicContact CD1-CD1 3.96Å; L83-Y94 HydrophobicContact CD1-CE1 3.35Å; L83-Y94 HydrophobicContact CD1-CE2 4.1Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.42Å
84	A	98	Very high	97	Very high	28 Å²	28	56.1 Å²	56.1	23%	0.231	31%	0.31	C	S	.	.			trans	-91.8	155.3	-177.8	0	0	0	0	0	112.6	S17 K67 L86	S17-A84 WeakPolarHBondContact OG-CA 3.27Å; K67-A84 VanDerWaalsContact CE-O 3.29Å; K67-A84 WeakPolarHBondContact CE-O 3.28Å; K67-A84 WeakPolarHBondContact CG-O 3.49Å; K67-A84 PolarHBondContact O-N 2.89Å; A84-L86 PolarHBondContact O-N 2.62Å
85	R	97.1	Very high	97	Very high	162 Å²	162	55.5 Å²	55.5	61%	0.611	31%	0.306	S	S	*	.	S	Bend	trans	51.3	55.2	171.2	-58.8	177.7	-69	-152.4	-0.8	112	V16 D66	V16-R85 PolarHBondContact O-N 3.07Å; D66-R85 PolarHBondContact O-NH2 2.85Å
86	L	96.8	Very high	97.1	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.089	27%	0.272	C	S	.	.			trans	-59.5	141.7	-175.5	-67.2	171.3	0	0	0	111.9	V12 P14 G15 V16 V18 L83 A84 D90	V12-L86 HydrophobicContact CG2-CD1 3.41Å; V12-L86 VanDerWaalsContact CG2-CD1 3.41Å; P14-L86 CarbonylContact C-O 3.5Å; P14-L86 VanDerWaalsContact CA-O 3.31Å; P14-L86 WeakPolarHBondContact CA-O 3.37Å; G15-L86 PolarHBondContact N-O 3.45Å; V16-L86 HydrophobicContact CG2-CD1 4.3Å; V16-L86 WeakPolarHBondContact O-CG 3.21Å; V16-L86 PolarHBondContact O-N 3.49Å; V18-L86 HydrophobicContact CB-CD1 3.99Å; V18-L86 HydrophobicContact CG1-CD1 3.76Å; V18-L86 HydrophobicContact CG1-CD2 4.22Å; V18-L86 HydrophobicContact CG1-CG 4.48Å; L83-L86 HydrophobicContact CB-CD2 3.82Å; A84-L86 PolarHBondContact O-N 2.62Å; L86-D90 VanDerWaalsContact CA-OD2 3.27Å; L86-D90 WeakPolarHBondContact CA-OD2 3.31Å; L86-D90 HydrophobicContact CD2-CB 3.76Å
87	T	96.1	Very high	97	Very high	62 Å²	62	51.2 Å²	51.2	38%	0.38	28%	0.278	S	S	.	.			trans	-118.2	169	171.7	65.6	0	0	0	0	109	E89 D90	T87-E89 PolarHBondContact O-N 3.15Å; T87-D90 PolarHBondContact N-OD2 2.64Å; T87-D90 WeakPolarHBondContact O-CB 3.11Å; T87-D90 PolarHBondContact O-N 3.41Å; T87-D90 PolarHBondContact OG1-OD2 2.96Å
88	S	93.3	Very high	96.7	Very high	101 Å²	101	54.1 Å²	54.1	71%	0.706	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-57.3	-29.4	174.9	48.8	0	0	0	0	112.7	D90 S91	S88-D90 PolarHBondContact O-N 3.11Å; S88-S91 WeakPolarHBondContact O-CB 3.43Å; S88-S91 PolarHBondContact O-N 2.96Å; S88-S91 VanDerWaalsContact O-N 3.15Å
89	E	91.9	Very high	96.6	Very high	156 Å²	156	56.4 Å²	56.4	73%	0.729	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.2	177	-60.2	-179.1	168.4	0	0	113.5	K38 T87 S91	K38-E89 PolarHBondContact NZ-O 3.19Å; T87-E89 PolarHBondContact O-N 3.15Å; E89-S91 VanDerWaalsContact C-N 3.31Å
90	D	95	Very high	96.5	Very high	13 Å²	13	59.3 Å²	59.3	7%	0.07	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-83.3	-7.4	174.5	-57.9	-50.7	0	0	0	113.6	K38 K67 L86 T87 S88 A92 Y94	K38-D90 IonicContact NZ-OD1 2.53Å; K67-D90 WeakPolarHBondContact CE-OD1 3.43Å; K67-D90 WeakPolarHBondContact CE-OD2 3.39Å; K67-D90 IonicContact NZ-OD1 2.82Å; K67-D90 PolarHBondContact NZ-OD1 3.49Å; K67-D90 IonicContact NZ-OD2 2.78Å; K67-D90 PolarHBondContact NZ-OD2 3.48Å; L86-D90 VanDerWaalsContact CA-OD2 3.27Å; L86-D90 WeakPolarHBondContact CA-OD2 3.31Å; L86-D90 HydrophobicContact CD2-CB 3.76Å; T87-D90 PolarHBondContact N-OD2 2.64Å; T87-D90 WeakPolarHBondContact O-CB 3.11Å; T87-D90 PolarHBondContact O-N 3.41Å; T87-D90 PolarHBondContact OG1-OD2 2.96Å; S88-D90 PolarHBondContact O-N 3.11Å; D90-A92 PolarHBondContact O-N 3.35Å; D90-Y94 WeakPolarHBondContact O-CE2 3.42Å; D90-Y94 PolarHBondContact O-OH 3.46Å
91	S	95.3	Very high	96.4	Very high	74 Å²	74	59.6 Å²	59.6	52%	0.517	32%	0.316	S	S	.	.			trans	-61.9	111.2	171.5	-160.2	0	0	0	0	109.2	H41 S88 E89	H41-S91 PolarHBondContact CD2-O 2.8Å; H41-S91 PolarHBondContact NE2-O 2.78Å; S88-S91 WeakPolarHBondContact O-CB 3.43Å; S88-S91 PolarHBondContact O-N 2.96Å; S88-S91 VanDerWaalsContact O-N 3.15Å; E89-S91 VanDerWaalsContact C-N 3.31Å
92	A	96.4	Very high	96.3	Very high	28 Å²	28	63.1 Å²	63.1	23%	0.231	33%	0.334	C	S	.	.	S	Bend	trans	-168.3	169.1	-169.7	0	0	0	0	0	109.8	K38 Q39 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.11Å; K38-A92 VanDerWaalsContact CE-CB 3.4Å; K38-A92 HydrophobicContact CG-CB 3.57Å; Q39-A92 WeakPolarHBondContact O-CB 3.14Å; D90-A92 PolarHBondContact O-N 3.35Å; A92-Y94 HydrophobicContact CB-CD2 4.45Å; A92-Y94 HydrophobicContact CB-CE2 3.87Å
93	V	97	Very high	96.1	Very high	73 Å²	73	61.8 Å²	61.8	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.2	164.7	-170.7	0	0	0	0	108.6	Q39 Y95	Q39-V93 HydrophobicContact CB-CB 4.4Å; Q39-V93 PolarHBondContact N-O 2.53Å; Q39-V93 PolarHBondContact O-N 3.45Å; V93-Y95 HydrophobicContact CB-CE2 3.98Å; V93-Y95 HydrophobicContact CG1-CD1 4.37Å; V93-Y95 HydrophobicContact CG1-CD2 4.36Å; V93-Y95 HydrophobicContact CG1-CE1 3.67Å; V93-Y95 HydrophobicContact CG1-CE2 3.66Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.31Å
94	Y	97.9	Very high	96	Very high	29 Å²	29	65.9 Å²	65.9	11%	0.114	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.9	179.2	-68.9	-89.5	0	0	0	109.5	Q6 I20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.07Å; I20-Y94 HydrophobicContact CD1-CD1 4.43Å; I20-Y94 HydrophobicContact CD1-CD2 4.04Å; I20-Y94 HydrophobicContact CD1-CG 3.77Å; V37-Y94 WeakPolarHBondContact O-CA 3.3Å; K38-Y94 HydrophobicContact CB-CD1 4.15Å; K38-Y94 HydrophobicContact CB-CE1 3.87Å; K38-Y94 HydrophobicContact CD-CE1 4.03Å; K38-Y94 HydrophobicContact CG-CD1 4.29Å; K38-Y94 HydrophobicContact CG-CE1 3.72Å; I48-Y94 HydrophobicContact CD1-CD1 3.62Å; I48-Y94 HydrophobicContact CD1-CE1 3.75Å; M81-Y94 HydrophobicContact CE-CD1 3.77Å; M81-Y94 HydrophobicContact CE-CE1 4.35Å; M81-Y94 HydrophobicContact CE-CG 4.35Å; L83-Y94 HydrophobicContact CD1-CD1 3.96Å; L83-Y94 HydrophobicContact CD1-CE1 3.35Å; L83-Y94 HydrophobicContact CD1-CE2 4.1Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.42Å; D90-Y94 WeakPolarHBondContact O-CE2 3.42Å; D90-Y94 PolarHBondContact O-OH 3.46Å; A92-Y94 HydrophobicContact CB-CD2 4.45Å; A92-Y94 HydrophobicContact CB-CE2 3.87Å
95	Y	97.5	Very high	95.9	Very high	94 Å²	94	68.6 Å²	68.6	37%	0.369	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.3	-179.1	-58.4	-76.6	0	0	0	110.7	W36 V37 Q39 V93	W36-Y95 WeakPolarHBondContact CA-O 3.21Å; V37-Y95 PolarHBondContact N-O 3.41Å; V37-Y95 PolarHBondContact O-N 3.4Å; Q39-Y95 HydrophobicContact CB-CD2 4.24Å; Q39-Y95 HydrophobicContact CB-CE2 3.64Å; Q39-Y95 HydrophobicContact CG-CE2 4.43Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.26Å; Q39-Y95 PolarHBondContact OE1-OH 3.14Å; V93-Y95 HydrophobicContact CB-CE2 3.98Å; V93-Y95 HydrophobicContact CG1-CD1 4.37Å; V93-Y95 HydrophobicContact CG1-CD2 4.36Å; V93-Y95 HydrophobicContact CG1-CE1 3.67Å; V93-Y95 HydrophobicContact CG1-CE2 3.66Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.31Å
96	C	98.4	Very high	95.8	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.074	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	149.3	157.9	64.6	0	0	0	0	110.1	Q6 C22 M34 H35 W36	Q6-C96 VanDerWaalsContact CD-SG 3.57Å; Q6-C96 HydrophobicContact CG-CB 4.45Å; Q6-C96 WeakPolarHBondContact CG-SG 3.31Å; C22-C96 HydrophobicContact CB-CB 3.41Å; C22-C96 VanDerWaalsContact CB-CB 3.41Å; C22-C96 WeakPolarHBondContact CB-SG 3.35Å; C22-C96 WeakPolarHBondContact SG-CB 3.37Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.87Å; M34-C96 HydrophobicContact CG-CB 4.22Å; M34-C96 HydrophobicContact SD-CB 3.81Å; H35-C96 CarbonylContact O-C 3.59Å; H35-C96 VanDerWaalsContact O-CA 3.26Å; H35-C96 WeakPolarHBondContact O-CA 3.11Å; W36-C96 HydrophobicContact CD2-CB 4.24Å; W36-C96 HydrophobicContact CE3-CB 3.87Å; W36-C96 HydrophobicContact CH2-CB 3.94Å; W36-C96 HydrophobicContact CZ2-CB 4.26Å; W36-C96 HydrophobicContact CZ3-CB 3.71Å
97	A	97.3	Very high	95.7	Very high	44 Å²	44	65.2 Å²	65.2	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.3	174.1	0	0	0	0	0	109.8	M34 H35	M34-A97 VanDerWaalsContact SD-O 3.33Å; H35-A97 HydrophobicContact CB-CB 4.39Å; H35-A97 PolarHBondContact N-O 2.64Å; H35-A97 PolarHBondContact O-N 3.36Å
98	R	92.1	Very high	95.6	Very high	97 Å²	97	65.5 Å²	65.5	37%	0.366	36%	0.362	S	S	.	.			trans	-131.5	0	176.5	-178.9	-133	66.7	-166.3	1.9	110.7	V2 L4 Y27 Y32 A33 M34	V2-R98 VanDerWaalsContact CG2-NH1 3.26Å; L4-R98 HydrophobicContact CD1-CB 4.29Å; L4-R98 HydrophobicContact CD2-CB 4.47Å; Y27-R98 VanDerWaalsContact CE1-NH1 3.33Å; Y27-R98 HydrophobicContact CE2-CG 4.12Å; Y27-R98 WeakPolarHBondContact OH-CD 3.34Å; Y32-R98 VanDerWaalsContact CB-CG 3.41Å; Y32-R98 HydrophobicContact CD1-CG 4.48Å; Y32-R98 HydrophobicContact CG-CG 3.99Å; A33-R98 WeakPolarHBondContact O-CG 3.28Å; M34-R98 HydrophobicContact SD-CB 4.25Å

Retrieved 98 of 98 residues in 99.3 ms (Link to these results)

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