A0A096NNS2_PAPAN Loading...

T cell receptor alpha variable 2

AlphaFold DB , UniProt , Accession A0A096NNS2, Species PAPAN (Papio anubis, Olive baboon), Gene TRAV2, Length 94 aa.

						>A0A096NNS2_PAPAN|A0A096NNS2|TRAV2
KDQVFQPSTVASSEGATVEIFCNHSVSNAYNFFWYLHFPGCAPRLLVKGSKPSQQGRYNMTYERFSSSLLILQVREADAAVYYCAVEDTEAGNP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	59.5	Low	90.1	Very high	220 Å²	220	101.5 Å²	101.5	96%	0.957	57%	0.565	S	S	*	*				0	119.5	0	-171.1	174.6	-176.1	176.7	0	106.7	Q3 S25	K1-Q3 PolarHBondContact O-N 3.25Å; K1-S25 PolarHBondContact O-OG 3.38Å
2	D	75.6	Confident	90.6	Very high	76 Å²	76	97.5 Å²	97.5	41%	0.406	55%	0.55	S	S	.	.			trans	-63.9	124.4	179.7	-60.9	-65.4	0	0	0	109.6	V26	D2-V26 HydrophobicContact CB-CB 4.46Å; D2-V26 HydrophobicContact CB-CG1 4.48Å; D2-V26 HydrophobicContact CB-CG2 3.83Å; D2-V26 WeakPolarHBondContact OD1-CA 3.43Å
3	Q	87.6	Confident	91.1	Very high	124 Å²	124	96.9 Å²	96.9	58%	0.579	56%	0.556	S	S	*	*			trans	-139.9	146.5	-178.1	-69.5	-162.4	-31	0	0	110.3	K1 H24 S25	K1-Q3 PolarHBondContact O-N 3.25Å; Q3-H24 CarbonylContact O-C 3.59Å; Q3-H24 WeakPolarHBondContact O-CA 3.47Å; Q3-H24 WeakPolarHBondContact O-CB 3.22Å; Q3-S25 PolarHBondContact N-OG 2.78Å; Q3-S25 PolarHBondContact O-N 3.12Å; Q3-S25 PolarHBondContact O-OG 2.98Å
4	V	93.3	Very high	91.5	Very high	59 Å²	59	100.1 Å²	100.1	36%	0.358	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.4	134.1	168	179.5	0	0	0	0	107.2	C22 N23 H24 C84 V86	V4-C22 VanDerWaalsContact CG1-SG 3.53Å; V4-N23 CarbonylContact C-O 3.58Å; V4-N23 WeakPolarHBondContact CA-O 3.41Å; V4-H24 HydrophobicContact CG2-CB 4.19Å; V4-C84 HydrophobicContact CG1-CB 4.23Å; V4-V86 HydrophobicContact CG2-CG2 3.84Å
5	F	95.7	Very high	91.9	Very high	133 Å²	133	96.9 Å²	96.9	58%	0.583	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.1	134.6	176	162.7	-72.8	0	0	0	110.9	C22 N23	F5-C22 CarbonylContact O-C 3.55Å; F5-C22 WeakPolarHBondContact O-CA 3.36Å; F5-N23 WeakPolarHBondContact CB-OD1 3.47Å; F5-N23 VanDerWaalsContact CD1-OD1 3.26Å; F5-N23 WeakPolarHBondContact CD1-OD1 3.47Å; F5-N23 PolarHBondContact N-O 2.81Å; F5-N23 PolarHBondContact O-N 3.08Å; F5-N23 PolarHBondContact O-OD1 3.1Å
6	Q	96.6	Very high	92.3	Very high	55 Å²	55	93.1 Å²	93.1	26%	0.257	55%	0.545	S	S	.	.			trans	-148.1	155	-177.4	61.3	174.4	46.9	0	0	108.6	Y82	Q6-Y82 PolarHBondContact NE2-O 3Å
7	P	96.9	Very high	92.6	Very high	46 Å²	46	92.3 Å²	92.3	30%	0.299	54%	0.541	S	S	.	.			trans	-63.1	143.1	176.8	26.6	-33.1	0	0	0	110.9	T9 V10 I20 F21	P7-T9 VanDerWaalsContact C-N 3.3Å; P7-T9 PolarHBondContact O-N 3.38Å; P7-V10 HydrophobicContact CB-CG2 4.01Å; P7-V10 HydrophobicContact CG-CG2 3.57Å; P7-I20 HydrophobicContact CG-CG2 4.23Å; P7-F21 WeakPolarHBondContact CD-O 3.45Å
8	S	95.6	Very high	92.9	Very high	125 Å²	125	88.1 Å²	88.1	87%	0.874	52%	0.517	S	S	*	.	S	Bend	trans	-70.9	-27.5	177.8	56.9	0	0	0	0	112.9
9	T	96.5	Very high	93.2	Very high	117 Å²	117	89.2 Å²	89.2	72%	0.718	52%	0.517	S	S	*	.			trans	-152.2	138.1	-178.1	-51.4	0	0	0	0	109.4	P7	P7-T9 VanDerWaalsContact C-N 3.3Å; P7-T9 PolarHBondContact O-N 3.38Å
10	V	97.1	Very high	93.5	Very high	65 Å²	65	85.5 Å²	85.5	39%	0.394	49%	0.494	S	S	.	.			trans	-131.9	132.6	171.3	-176.2	0	0	0	0	107.3	P7 V18	P7-V10 HydrophobicContact CB-CG2 4.01Å; P7-V10 HydrophobicContact CG-CG2 3.57Å; V10-V18 HydrophobicContact CG1-CG2 3.35Å
11	A	96.3	Very high	93.7	Very high	96 Å²	96	85.3 Å²	85.3	79%	0.793	49%	0.488	S	S	*	.			trans	-112.7	142.5	177	0	0	0	0	0	109.6
12	S	96.2	Very high	95.4	Very high	54 Å²	54	74.9 Å²	74.9	38%	0.378	44%	0.443	S	S	.	.			trans	-150.7	157.7	176.6	-165.1	0	0	0	0	110.4
13	S	97.1	Very high	96.4	Very high	90 Å²	90	73.8 Å²	73.8	63%	0.629	44%	0.437	S	S	*	.			trans	-89.1	151.2	176.6	-57.6	0	0	0	0	110.7	G15 A16	S13-G15 PolarHBondContact O-N 2.87Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3.01Å; S13-A16 VanDerWaalsContact O-N 3.13Å
14	E	97.4	Very high	96.7	Very high	142 Å²	142	68.6 Å²	68.6	66%	0.664	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	140	172.4	-169.7	175.7	-162.8	0	0	111.2	A16 V74	E14-A16 PolarHBondContact O-N 3.18Å; E14-V74 CarbonylContact C-O 3.6Å; E14-V74 WeakPolarHBondContact CA-O 3.25Å; E14-V74 WeakPolarHBondContact CG-O 3.31Å
15	G	97.3	Very high	96.7	Very high	52 Å²	52	68.6 Å²	68.6	54%	0.536	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-14.1	-177.2	0	0	0	0	0	114.9	S13 V74	S13-G15 PolarHBondContact O-N 2.87Å; G15-V74 PolarHBondContact N-O 3.36Å
16	A	98	Very high	96.4	Very high	35 Å²	35	62.7 Å²	62.7	29%	0.289	39%	0.39	S	S	.	.	S	Bend	trans	-73.5	173.7	177.7	0	0	0	0	0	112.1	S13 E14 Q73 V74	S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3.01Å; S13-A16 VanDerWaalsContact O-N 3.13Å; E14-A16 PolarHBondContact O-N 3.18Å; A16-Q73 WeakPolarHBondContact O-CA 3.37Å; A16-Q73 PolarHBondContact O-N 3.15Å; A16-Q73 VanDerWaalsContact O-N 3.14Å; A16-V74 WeakPolarHBondContact O-CG2 3.48Å; A16-V74 PolarHBondContact O-N 2.75Å
17	T	98.2	Very high	95.9	Very high	80 Å²	80	63.9 Å²	63.9	49%	0.491	40%	0.404	S	S	.	.			trans	-101.4	133.1	163.6	-63.4	0	0	0	0	108.2	L70 I71 L72	T17-L70 HydrophobicContact CG2-CB 4.44Å; T17-L70 HydrophobicContact CG2-CD2 4.44Å; T17-I71 WeakPolarHBondContact CA-O 3.31Å; T17-L72 HydrophobicContact CG2-CD2 3.71Å
18	V	97.9	Very high	95.4	Very high	17 Å²	17	65.8 Å²	65.8	10%	0.103	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.3	173.8	66.4	0	0	0	0	109.8	V10 L70 I71 V74	V10-V18 HydrophobicContact CG1-CG2 3.35Å; V18-L70 CarbonylContact O-C 3.58Å; V18-L70 VanDerWaalsContact O-CA 3.29Å; V18-L70 WeakPolarHBondContact O-CA 3.19Å; V18-I71 HydrophobicContact CG1-CB 3.73Å; V18-I71 HydrophobicContact CG1-CD1 4.05Å; V18-I71 HydrophobicContact CG1-CG1 4Å; V18-I71 PolarHBondContact N-O 2.72Å; V18-I71 VanDerWaalsContact N-O 3.13Å; V18-I71 PolarHBondContact O-N 2.69Å; V18-V74 HydrophobicContact CB-CG2 3.98Å; V18-V74 HydrophobicContact CG1-CG2 3.48Å; V18-V74 VanDerWaalsContact CG1-CG2 3.48Å
19	E	98.3	Very high	94.9	Very high	109 Å²	109	60.3 Å²	60.3	51%	0.509	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	174.5	-173.6	178.4	-176.1	0	0	109.7	S68 L69 L70	E19-S68 WeakPolarHBondContact OE1-CB 3.21Å; E19-S68 PolarHBondContact OE1-OG 2.76Å; E19-L69 WeakPolarHBondContact CA-O 3.19Å; E19-L70 HydrophobicContact CB-CG 4.48Å; E19-L70 HydrophobicContact CG-CD1 4.45Å; E19-L70 HydrophobicContact CG-CG 4.29Å
20	I	98.3	Very high	94.4	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.3	172.7	-49.4	178.1	0	0	0	107.3	P7 W34 S68 L69 I71 Y82	P7-I20 HydrophobicContact CG-CG2 4.23Å; I20-W34 HydrophobicContact CB-CH2 4.07Å; I20-W34 HydrophobicContact CB-CZ3 4.14Å; I20-W34 HydrophobicContact CG2-CH2 3.81Å; I20-W34 HydrophobicContact CG2-CZ3 3.79Å; I20-W34 WeakPolarHBondContact O-CH2 3.38Å; I20-W34 WeakPolarHBondContact O-CZ2 3.23Å; I20-S68 CarbonylContact O-C 3.55Å; I20-S68 VanDerWaalsContact O-CA 3.29Å; I20-S68 WeakPolarHBondContact O-CA 3.33Å; I20-L69 HydrophobicContact CB-CB 4.45Å; I20-L69 PolarHBondContact N-O 3.33Å; I20-L69 PolarHBondContact O-N 2.76Å; I20-I71 HydrophobicContact CD1-CD1 4.19Å; I20-Y82 HydrophobicContact CD1-CD1 4.18Å; I20-Y82 HydrophobicContact CD1-CD2 3.71Å; I20-Y82 HydrophobicContact CD1-CE2 4.36Å; I20-Y82 HydrophobicContact CD1-CG 3.61Å
21	F	97.6	Very high	94.2	Very high	83 Å²	83	60.3 Å²	60.3	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146.8	-179	-179.2	-98.6	0	0	0	112.1	P7 N23 S68	P7-F21 WeakPolarHBondContact CD-O 3.45Å; F21-N23 HydrophobicContact CE1-CB 3.67Å; F21-N23 HydrophobicContact CZ-CB 3.92Å; F21-S68 WeakPolarHBondContact CD2-OG 3.47Å
22	C	96.8	Very high	94.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.3	173.9	175.9	0	0	0	0	110.1	V4 F5 W34 S66 S67 C84	V4-C22 VanDerWaalsContact CG1-SG 3.53Å; F5-C22 CarbonylContact O-C 3.55Å; F5-C22 WeakPolarHBondContact O-CA 3.36Å; C22-W34 HydrophobicContact CB-CH2 3.73Å; C22-W34 HydrophobicContact CB-CZ2 3.55Å; C22-S66 CarbonylContact O-C 3.57Å; C22-S66 VanDerWaalsContact O-CA 3.25Å; C22-S66 WeakPolarHBondContact O-CA 3.32Å; C22-S67 WeakPolarHBondContact CA-O 3.31Å; C22-S67 VanDerWaalsContact CB-O 3.31Å; C22-S67 WeakPolarHBondContact CB-O 3.37Å; C22-S67 PolarHBondContact N-O 3.37Å; C22-S67 PolarHBondContact O-N 2.88Å; C22-S67 VanDerWaalsContact O-O 3.06Å; C22-C84 HydrophobicContact CB-CB 3.45Å; C22-C84 VanDerWaalsContact CB-CB 3.45Å; C22-C84 WeakPolarHBondContact CB-SG 3.07Å; C22-C84 WeakPolarHBondContact SG-CB 3.16Å; C22-C84 CovalentContact SG-SG 2.02Å; C22-C84 PolarHBondContact SG-SG 3.44Å
23	N	95.9	Very high	94.3	Very high	54 Å²	54	54.9 Å²	54.9	29%	0.289	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	165	166.9	62.6	19.9	0	0	0	110.9	V4 F5 F21 F65	V4-N23 CarbonylContact C-O 3.58Å; V4-N23 WeakPolarHBondContact CA-O 3.41Å; F5-N23 WeakPolarHBondContact CB-OD1 3.47Å; F5-N23 VanDerWaalsContact CD1-OD1 3.26Å; F5-N23 WeakPolarHBondContact CD1-OD1 3.47Å; F5-N23 PolarHBondContact N-O 2.81Å; F5-N23 PolarHBondContact O-N 3.08Å; F5-N23 PolarHBondContact O-OD1 3.1Å; F21-N23 HydrophobicContact CE1-CB 3.67Å; F21-N23 HydrophobicContact CZ-CB 3.92Å; N23-F65 CarbonylContact C-O 3.57Å; N23-F65 WeakPolarHBondContact CA-O 3.41Å; N23-F65 WeakPolarHBondContact CB-O 3.34Å
24	H	93.9	Very high	94.3	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.069	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163.3	174.3	67	95	0	0	0	112.8	Q3 V4 V26 F32 R64 F65 V86	Q3-H24 CarbonylContact O-C 3.59Å; Q3-H24 WeakPolarHBondContact O-CA 3.47Å; Q3-H24 WeakPolarHBondContact O-CB 3.22Å; V4-H24 HydrophobicContact CG2-CB 4.19Å; H24-V26 HydrophobicContact CB-CG2 4.18Å; H24-V26 PolarHBondContact CE1-O 3.18Å; H24-V26 VanDerWaalsContact CE1-O 3.28Å; H24-V26 PolarHBondContact ND1-N 2.98Å; H24-V26 VanDerWaalsContact ND1-N 3.2Å; H24-V26 PolarHBondContact ND1-O 2.81Å; H24-F32 AromaticContact CD2-CE1 3.53Å; H24-F32 AromaticContact CD2-CZ 3.19Å; H24-F32 WeakPolarHBondContact CD2-CZ 3.44Å; H24-F32 AromaticContact NE2-CE1 3.95Å; H24-F32 AromaticContact NE2-CE2 3.68Å; H24-F32 AromaticContact NE2-CZ 3.19Å; H24-F32 WeakPolarHBondContact NE2-CZ 3.41Å; H24-R64 PolarHBondContact CE1-O 2.77Å; H24-R64 PolarHBondContact NE2-O 2.82Å; H24-F65 AromaticContact CE1-CD1 3.73Å; H24-F65 PolarHBondContact N-O 2.83Å; H24-F65 WeakPolarHBondContact NE2-CA 3.41Å; H24-V86 HydrophobicContact CB-CG1 4.32Å; H24-V86 HydrophobicContact CB-CG2 4.48Å
25	S	92.9	Very high	94.3	Very high	59 Å²	59	47 Å²	47	41%	0.413	26%	0.261	S	S	.	.			trans	-104.5	1.6	171.8	56.1	0	0	0	0	114	K1 Q3 S27	K1-S25 PolarHBondContact O-OG 3.38Å; Q3-S25 PolarHBondContact N-OG 2.78Å; Q3-S25 PolarHBondContact O-N 3.12Å; Q3-S25 PolarHBondContact O-OG 2.98Å; S25-S27 PolarHBondContact O-N 2.81Å
26	V	90	Very high	94.3	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.048	24%	0.237	C	C	.	.			trans	-67.2	112.8	-177.1	-166.4	0	0	0	0	111	D2 H24 A29 V86	D2-V26 HydrophobicContact CB-CB 4.46Å; D2-V26 HydrophobicContact CB-CG1 4.48Å; D2-V26 HydrophobicContact CB-CG2 3.83Å; D2-V26 WeakPolarHBondContact OD1-CA 3.43Å; H24-V26 HydrophobicContact CB-CG2 4.18Å; H24-V26 PolarHBondContact CE1-O 3.18Å; H24-V26 VanDerWaalsContact CE1-O 3.28Å; H24-V26 PolarHBondContact ND1-N 2.98Å; H24-V26 VanDerWaalsContact ND1-N 3.2Å; H24-V26 PolarHBondContact ND1-O 2.81Å; V26-A29 HydrophobicContact CB-CB 3.89Å; V26-A29 HydrophobicContact CG1-CB 3.95Å; V26-V86 HydrophobicContact CB-CG2 4.11Å; V26-V86 HydrophobicContact CG2-CG2 3.59Å
27	S	86.1	Confident	94.2	Very high	80 Å²	80	45 Å²	45	56%	0.559	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.6	-170.2	-66.5	0	0	0	0	114	S25	S25-S27 PolarHBondContact O-N 2.81Å
28	N	85.6	Confident	94	Very high	86 Å²	86	45.2 Å²	45.2	46%	0.46	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	14.6	-177.2	-57.3	-30.4	0	0	0	112.7	Y30 T89	N28-Y30 WeakPolarHBondContact O-CD2 3.42Å; N28-Y30 WeakPolarHBondContact O-CE2 3.2Å; N28-Y30 PolarHBondContact O-N 2.85Å; N28-T89 WeakPolarHBondContact CB-OG1 3.42Å; N28-T89 PolarHBondContact O-OG1 3Å
29	A	85.8	Confident	93.7	Very high	11 Å²	11	49.8 Å²	49.8	9%	0.091	26%	0.256	C	S	.	.			trans	-74.6	128.2	174.6	0	0	0	0	0	110.7	V26 V86 E87	V26-A29 HydrophobicContact CB-CB 3.89Å; V26-A29 HydrophobicContact CG1-CB 3.95Å; A29-V86 HydrophobicContact CB-CB 3.84Å; A29-V86 HydrophobicContact CB-CG1 4.45Å; A29-V86 HydrophobicContact CB-CG2 4.17Å; A29-E87 VanDerWaalsContact CA-O 3.31Å; A29-E87 WeakPolarHBondContact CA-O 3.45Å; A29-E87 WeakPolarHBondContact CB-O 3.21Å
30	Y	85.8	Confident	93.4	Very high	141 Å²	141	48.6 Å²	48.6	55%	0.553	27%	0.273	S	S	*	.			trans	-111.3	-21.8	177.1	-64.4	-76.8	0	0	0	113.1	N28 S50 Y62	N28-Y30 WeakPolarHBondContact O-CD2 3.42Å; N28-Y30 WeakPolarHBondContact O-CE2 3.2Å; N28-Y30 PolarHBondContact O-N 2.85Å; Y30-S50 VanDerWaalsContact O-CA 3.32Å; Y30-S50 WeakPolarHBondContact O-CA 3.18Å; Y30-S50 WeakPolarHBondContact O-CB 3.29Å; Y30-Y62 PolarHBondContact O-OH 2.02Å
31	N	93.3	Very high	93.1	Very high	41 Å²	41	51.5 Å²	51.5	22%	0.219	29%	0.294	C	S	.	.			trans	-127.4	138	-173.1	-68.1	-68	0	0	0	110.9	F33 S50 V86 E87	N31-F33 HydrophobicContact CB-CE2 3.71Å; N31-F33 HydrophobicContact CB-CZ 3.89Å; N31-S50 WeakPolarHBondContact OD1-CB 3.45Å; N31-S50 PolarHBondContact OD1-N 3.42Å; N31-V86 VanDerWaalsContact O-CA 3.31Å; N31-V86 WeakPolarHBondContact O-CA 3.26Å; N31-E87 HydrophobicContact CB-CB 4.23Å; N31-E87 PolarHBondContact ND2-OE2 3.17Å; N31-E87 PolarHBondContact O-N 3.28Å; N31-E87 VanDerWaalsContact O-N 3.07Å
32	F	96.3	Very high	93	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.7	163.5	-77.1	-93.1	0	0	0	110.7	H24 K48 G49 M60 Y62 E63 S66 V86	H24-F32 AromaticContact CD2-CE1 3.53Å; H24-F32 AromaticContact CD2-CZ 3.19Å; H24-F32 WeakPolarHBondContact CD2-CZ 3.44Å; H24-F32 AromaticContact NE2-CE1 3.95Å; H24-F32 AromaticContact NE2-CE2 3.68Å; H24-F32 AromaticContact NE2-CZ 3.19Å; H24-F32 WeakPolarHBondContact NE2-CZ 3.41Å; F32-K48 CarbonylContact O-C 3.57Å; F32-K48 WeakPolarHBondContact O-CA 3.3Å; F32-K48 VanDerWaalsContact O-CB 3.28Å; F32-K48 WeakPolarHBondContact O-CB 3.45Å; F32-G49 PolarHBondContact N-O 2.89Å; F32-G49 PolarHBondContact O-N 2.88Å; F32-M60 HydrophobicContact CB-SD 4.05Å; F32-Y62 AromaticContact CD2-CD2 3.63Å; F32-Y62 HydrophobicContact CD2-CD2 3.63Å; F32-Y62 AromaticContact CD2-CE2 3.69Å; F32-Y62 HydrophobicContact CD2-CE2 3.69Å; F32-Y62 HydrophobicContact CE2-CD2 4.06Å; F32-Y62 AromaticContact CE2-CE2 3.96Å; F32-Y62 HydrophobicContact CE2-CE2 3.96Å; F32-E63 WeakPolarHBondContact CE2-O 3.49Å; F32-S66 VanDerWaalsContact CZ-C 3.43Å; F32-V86 HydrophobicContact CD1-CG1 3.71Å; F32-V86 HydrophobicContact CE1-CG1 3.66Å; F32-V86 HydrophobicContact CG-CG1 4.3Å; F32-V86 HydrophobicContact CZ-CG1 4.21Å
33	F	97.1	Very high	93	Very high	32 Å²	32	55.1 Å²	55.1	14%	0.14	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.2	174.8	-54.4	-100.4	0	0	0	108.9	N31 Y35 L45 K48 C84 A85 E87	N31-F33 HydrophobicContact CB-CE2 3.71Å; N31-F33 HydrophobicContact CB-CZ 3.89Å; F33-Y35 HydrophobicContact CB-CD2 4.18Å; F33-Y35 HydrophobicContact CB-CE2 3.42Å; F33-Y35 VanDerWaalsContact CB-CE2 3.42Å; F33-Y35 HydrophobicContact CG-CE2 4.31Å; F33-L45 HydrophobicContact CB-CD1 4.11Å; F33-L45 HydrophobicContact CD1-CD1 4.13Å; F33-K48 HydrophobicContact CD1-CB 3.6Å; F33-K48 HydrophobicContact CD1-CD 3.78Å; F33-K48 HydrophobicContact CD1-CG 4.33Å; F33-K48 HydrophobicContact CE1-CB 4.07Å; F33-K48 HydrophobicContact CE1-CD 3.57Å; F33-K48 HydrophobicContact CE1-CG 4.47Å; F33-K48 HydrophobicContact CG-CB 4.2Å; F33-C84 WeakPolarHBondContact O-CA 3.37Å; F33-A85 HydrophobicContact CB-CB 4.36Å; F33-A85 PolarHBondContact N-O 3.43Å; F33-A85 PolarHBondContact O-N 3Å; F33-E87 HydrophobicContact CE2-CB 3.99Å
34	W	97.9	Very high	93	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.1	173.4	-77	97.8	0	0	0	109.9	I20 C22 L46 V47 S67 L69 Y83 C84	I20-W34 HydrophobicContact CB-CH2 4.07Å; I20-W34 HydrophobicContact CB-CZ3 4.14Å; I20-W34 HydrophobicContact CG2-CH2 3.81Å; I20-W34 HydrophobicContact CG2-CZ3 3.79Å; I20-W34 WeakPolarHBondContact O-CH2 3.38Å; I20-W34 WeakPolarHBondContact O-CZ2 3.23Å; C22-W34 HydrophobicContact CB-CH2 3.73Å; C22-W34 HydrophobicContact CB-CZ2 3.55Å; W34-L46 WeakPolarHBondContact O-CB 3.41Å; W34-L46 PolarHBondContact O-N 2.94Å; W34-V47 HydrophobicContact CB-CG1 3.8Å; W34-V47 HydrophobicContact CG-CG1 4.27Å; W34-V47 PolarHBondContact N-O 2.87Å; W34-V47 PolarHBondContact O-N 3.02Å; W34-S67 PolarHBondContact NE1-OG 2.82Å; W34-S67 VanDerWaalsContact NE1-OG 3.14Å; W34-L69 HydrophobicContact CB-CD1 4.21Å; W34-L69 HydrophobicContact CB-CD2 4.23Å; W34-L69 HydrophobicContact CD2-CB 3.56Å; W34-L69 HydrophobicContact CD2-CD1 4.47Å; W34-L69 HydrophobicContact CD2-CD2 4.08Å; W34-L69 HydrophobicContact CD2-CG 4.25Å; W34-L69 HydrophobicContact CE3-CB 3.78Å; W34-L69 HydrophobicContact CE3-CD2 3.85Å; W34-L69 HydrophobicContact CE3-CG 4.4Å; W34-L69 HydrophobicContact CG-CB 4.04Å; W34-L69 HydrophobicContact CG-CD1 4.09Å; W34-L69 HydrophobicContact CG-CD2 4.26Å; W34-L69 HydrophobicContact CG-CG 4.37Å; W34-L69 HydrophobicContact CH2-CB 4.06Å; W34-L69 HydrophobicContact CZ2-CB 3.87Å; W34-L69 HydrophobicContact CZ3-CB 4.02Å; W34-Y83 WeakPolarHBondContact CA-O 3.38Å; W34-C84 HydrophobicContact CD2-CB 4.42Å; W34-C84 HydrophobicContact CE3-CB 4.18Å; W34-C84 HydrophobicContact CH2-CB 3.87Å; W34-C84 HydrophobicContact CZ2-CB 4.1Å; W34-C84 HydrophobicContact CZ3-CB 3.91Å
35	Y	97.7	Very high	93.2	Very high	68 Å²	68	62.3 Å²	62.3	27%	0.267	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.8	179.9	-63.6	-92.4	0	0	0	111.3	F33 P43 R44 L45 Y82 Y83 A85	F33-Y35 HydrophobicContact CB-CD2 4.18Å; F33-Y35 HydrophobicContact CB-CE2 3.42Å; F33-Y35 VanDerWaalsContact CB-CE2 3.42Å; F33-Y35 HydrophobicContact CG-CE2 4.31Å; Y35-P43 HydrophobicContact CD1-CB 4.18Å; Y35-P43 HydrophobicContact CG-CB 4.43Å; Y35-R44 CarbonylContact C-O 3.56Å; Y35-R44 VanDerWaalsContact CA-O 3.31Å; Y35-R44 WeakPolarHBondContact CA-O 3.14Å; Y35-L45 HydrophobicContact CD1-CB 4.05Å; Y35-L45 HydrophobicContact CD1-CD1 4.21Å; Y35-L45 HydrophobicContact CE1-CB 3.78Å; Y35-L45 HydrophobicContact CE1-CD1 3.76Å; Y35-L45 HydrophobicContact CE1-CG 4.37Å; Y35-L45 HydrophobicContact CE2-CD1 4.24Å; Y35-Y82 VanDerWaalsContact O-CA 3.3Å; Y35-Y82 WeakPolarHBondContact O-CA 3.31Å; Y35-Y83 PolarHBondContact N-O 3.02Å; Y35-Y83 PolarHBondContact O-N 3.48Å; Y35-A85 HydrophobicContact CE2-CB 4.13Å
36	L	97	Very high	93.4	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.8	165.9	-178.3	66.2	0	0	0	109.4	F38 P43 R44 L46 A80 Y82	L36-F38 HydrophobicContact CD1-CE2 4.48Å; L36-F38 HydrophobicContact CD1-CZ 4.47Å; L36-F38 HydrophobicContact CD2-CD2 4.31Å; L36-F38 HydrophobicContact CD2-CE2 3.52Å; L36-F38 HydrophobicContact CD2-CZ 4.02Å; L36-F38 HydrophobicContact CG-CD2 4.38Å; L36-F38 HydrophobicContact CG-CE2 3.97Å; L36-F38 HydrophobicContact CG-CZ 4.42Å; L36-P43 WeakPolarHBondContact O-CA 3.28Å; L36-R44 PolarHBondContact N-O 3.28Å; L36-R44 PolarHBondContact O-N 2.86Å; L36-L46 HydrophobicContact CB-CD1 3.95Å; L36-L46 HydrophobicContact CB-CD2 3.83Å; L36-L46 HydrophobicContact CB-CG 3.86Å; L36-L46 HydrophobicContact CD2-CD2 4.3Å; L36-A80 HydrophobicContact CD1-CB 3.38Å; L36-A80 HydrophobicContact CG-CB 4.44Å; L36-Y82 HydrophobicContact CD1-CD1 4.2Å; L36-Y82 HydrophobicContact CD1-CE1 3.64Å; L36-Y82 HydrophobicContact CD1-CE2 4.05Å
37	H	96.4	Very high	93.7	Very high	40 Å²	40	60.2 Å²	60.2	19%	0.185	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.2	176.5	178.7	-142.9	0	0	0	110.5	C41 V81 Y83	H37-C41 PolarHBondContact CD2-O 3.13Å; H37-C41 PolarHBondContact NE2-O 3.21Å; H37-C41 VanDerWaalsContact NE2-O 3.12Å; H37-V81 HydrophobicContact CB-CB 4.26Å; H37-V81 PolarHBondContact N-O 2.8Å; H37-V81 PolarHBondContact O-N 3.46Å; H37-V81 VanDerWaalsContact O-N 3.08Å; H37-Y83 HydrophobicContact CB-CD2 3.92Å; H37-Y83 HydrophobicContact CB-CE2 3.51Å; H37-Y83 AromaticContact CG-CE2 3.72Å; H37-Y83 AromaticContact ND1-CE2 3.36Å; H37-Y83 WeakPolarHBondContact ND1-CE2 2.97Å; H37-Y83 AromaticContact ND1-CZ 3.8Å; H37-Y83 PolarHBondContact ND1-OH 2.79Å
38	F	94.1	Very high	94.2	Very high	83 Å²	83	62 Å²	62	36%	0.364	34%	0.342	S	S	.	.			trans	-95.3	136.8	165.1	-68.6	-72.4	0	0	0	109	L36 G40 C41 A77 A80	L36-F38 HydrophobicContact CD1-CE2 4.48Å; L36-F38 HydrophobicContact CD1-CZ 4.47Å; L36-F38 HydrophobicContact CD2-CD2 4.31Å; L36-F38 HydrophobicContact CD2-CE2 3.52Å; L36-F38 HydrophobicContact CD2-CZ 4.02Å; L36-F38 HydrophobicContact CG-CD2 4.38Å; L36-F38 HydrophobicContact CG-CE2 3.97Å; L36-F38 HydrophobicContact CG-CZ 4.42Å; F38-G40 PolarHBondContact O-N 2.89Å; F38-C41 HydrophobicContact CB-CB 4.37Å; F38-C41 WeakPolarHBondContact O-CB 3.46Å; F38-C41 PolarHBondContact O-N 3.48Å; F38-A77 WeakPolarHBondContact CZ-O 2.95Å; F38-A80 HydrophobicContact CD1-CB 3.92Å; F38-A80 HydrophobicContact CE1-CB 3.6Å; F38-A80 HydrophobicContact CZ-CB 4.1Å
39	P	90.1	Very high	94.6	Very high	114 Å²	114	58.6 Å²	58.6	74%	0.74	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	127.6	176.7	-27.6	34.9	0	0	0	112.1
40	G	92.3	Very high	95	Very high	84 Å²	84	61.2 Å²	61.2	87%	0.866	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-2.5	-179.1	0	0	0	0	0	115.3	F38	F38-G40 PolarHBondContact O-N 2.89Å
41	C	93.6	Very high	95.5	Very high	75 Å²	75	61.5 Å²	61.5	51%	0.507	35%	0.349	S	S	.	.	S	Bend	trans	-111.4	156.4	176.5	-66.7	0	0	0	0	111.3	H37 F38	H37-C41 PolarHBondContact CD2-O 3.13Å; H37-C41 PolarHBondContact NE2-O 3.21Å; H37-C41 VanDerWaalsContact NE2-O 3.12Å; F38-C41 HydrophobicContact CB-CB 4.37Å; F38-C41 WeakPolarHBondContact O-CB 3.46Å; F38-C41 PolarHBondContact O-N 3.48Å
42	A	94.7	Very high	95.8	Very high	86 Å²	86	64 Å²	64	71%	0.711	37%	0.368	S	S	*	.			trans	-67.4	144.5	167.6	0	0	0	0	0	110.5	R44	A42-R44 PolarHBondContact O-N 3.17Å
43	P	96.6	Very high	95.8	Very high	73 Å²	73	66 Å²	66	47%	0.474	38%	0.382	S	S	.	.			trans	-56.5	132.2	172.9	-25.6	34.7	0	0	0	111.9	Y35 L36	Y35-P43 HydrophobicContact CD1-CB 4.18Å; Y35-P43 HydrophobicContact CG-CB 4.43Å; L36-P43 WeakPolarHBondContact O-CA 3.28Å
44	R	96.6	Very high	95.8	Very high	150 Å²	150	70.2 Å²	70.2	57%	0.566	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.9	178.9	-177.6	176.3	67.8	163.9	-0.1	110.2	Y35 L36 A42 L46	Y35-R44 CarbonylContact C-O 3.56Å; Y35-R44 VanDerWaalsContact CA-O 3.31Å; Y35-R44 WeakPolarHBondContact CA-O 3.14Å; L36-R44 PolarHBondContact N-O 3.28Å; L36-R44 PolarHBondContact O-N 2.86Å; A42-R44 PolarHBondContact O-N 3.17Å; R44-L46 PolarHBondContact O-N 2.85Å
45	L	96.9	Very high	95.7	Very high	70 Å²	70	76.1 Å²	76.1	37%	0.366	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.4	175.2	-176.3	67.8	0	0	0	110.6	F33 Y35 K48	F33-L45 HydrophobicContact CB-CD1 4.11Å; F33-L45 HydrophobicContact CD1-CD1 4.13Å; Y35-L45 HydrophobicContact CD1-CB 4.05Å; Y35-L45 HydrophobicContact CD1-CD1 4.21Å; Y35-L45 HydrophobicContact CE1-CB 3.78Å; Y35-L45 HydrophobicContact CE1-CD1 3.76Å; Y35-L45 HydrophobicContact CE1-CG 4.37Å; Y35-L45 HydrophobicContact CE2-CD1 4.24Å; L45-K48 HydrophobicContact CD1-CB 4.29Å; L45-K48 HydrophobicContact CD2-CD 3.91Å; L45-K48 HydrophobicContact CD2-CG 4.17Å
46	L	96.9	Very high	95.6	Very high	16 Å²	16	75.8 Å²	75.8	8%	0.084	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-54.2	174.8	-65.1	179.3	0	0	0	111.4	W34 L36 R44 Y58 L69 Y82	W34-L46 WeakPolarHBondContact O-CB 3.41Å; W34-L46 PolarHBondContact O-N 2.94Å; L36-L46 HydrophobicContact CB-CD1 3.95Å; L36-L46 HydrophobicContact CB-CD2 3.83Å; L36-L46 HydrophobicContact CB-CG 3.86Å; L36-L46 HydrophobicContact CD2-CD2 4.3Å; R44-L46 PolarHBondContact O-N 2.85Å; L46-Y58 HydrophobicContact CD1-CD1 4.01Å; L46-Y58 HydrophobicContact CD1-CE1 4Å; L46-Y58 HydrophobicContact CD1-CG 4.39Å; L46-Y58 HydrophobicContact CD2-CD2 4.25Å; L46-Y58 HydrophobicContact CD2-CE2 3.9Å; L46-L69 HydrophobicContact CD1-CD2 4.1Å; L46-Y82 HydrophobicContact CD1-CD1 3.86Å; L46-Y82 HydrophobicContact CD1-CE1 3.65Å
47	V	97.4	Very high	95.6	Very high	7 Å²	7	77.9 Å²	77.9	4%	0.042	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.6	-175.2	61.5	0	0	0	0	109.4	W34 Q55 M60 L69	W34-V47 HydrophobicContact CB-CG1 3.8Å; W34-V47 HydrophobicContact CG-CG1 4.27Å; W34-V47 PolarHBondContact N-O 2.87Å; W34-V47 PolarHBondContact O-N 3.02Å; V47-Q55 HydrophobicContact CB-CB 4.47Å; V47-M60 HydrophobicContact CG1-CB 3.86Å; V47-M60 HydrophobicContact CG1-CG 4.4Å; V47-M60 HydrophobicContact CG1-SD 4.43Å; V47-M60 HydrophobicContact CG2-CB 3.9Å; V47-M60 HydrophobicContact CG2-SD 4.36Å; V47-L69 HydrophobicContact CG1-CD1 3.67Å
48	K	95.7	Very high	95.7	Very high	116 Å²	116	77.4 Å²	77.4	50%	0.504	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	161.7	174.4	62.3	171.8	178.4	179.6	0	111.4	F32 F33 L45 S53	F32-K48 CarbonylContact O-C 3.57Å; F32-K48 WeakPolarHBondContact O-CA 3.3Å; F32-K48 VanDerWaalsContact O-CB 3.28Å; F32-K48 WeakPolarHBondContact O-CB 3.45Å; F33-K48 HydrophobicContact CD1-CB 3.6Å; F33-K48 HydrophobicContact CD1-CD 3.78Å; F33-K48 HydrophobicContact CD1-CG 4.33Å; F33-K48 HydrophobicContact CE1-CB 4.07Å; F33-K48 HydrophobicContact CE1-CD 3.57Å; F33-K48 HydrophobicContact CE1-CG 4.47Å; F33-K48 HydrophobicContact CG-CB 4.2Å; L45-K48 HydrophobicContact CD1-CB 4.29Å; L45-K48 HydrophobicContact CD2-CD 3.91Å; L45-K48 HydrophobicContact CD2-CG 4.17Å; K48-S53 PolarHBondContact O-OG 3.49Å
49	G	94.4	Very high	95.8	Very high	15 Å²	15	75.5 Å²	75.5	16%	0.155	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	174.1	166.7	0	0	0	0	0	114.5	F32	F32-G49 PolarHBondContact N-O 2.89Å; F32-G49 PolarHBondContact O-N 2.88Å
50	S	94.9	Very high	96.2	Very high	66 Å²	66	70.3 Å²	70.3	46%	0.462	41%	0.411	S	S	.	.	S	Bend	trans	-103.2	16.2	174.2	55.1	0	0	0	0	113.1	Y30 N31 Y62	Y30-S50 VanDerWaalsContact O-CA 3.32Å; Y30-S50 WeakPolarHBondContact O-CA 3.18Å; Y30-S50 WeakPolarHBondContact O-CB 3.29Å; N31-S50 WeakPolarHBondContact OD1-CB 3.45Å; N31-S50 PolarHBondContact OD1-N 3.42Å; S50-Y62 VanDerWaalsContact O-CE1 3.22Å; S50-Y62 WeakPolarHBondContact O-CE1 3.18Å; S50-Y62 VanDerWaalsContact O-CZ 3.3Å
51	K	96.3	Very high	96.5	Very high	148 Å²	148	68.9 Å²	68.9	64%	0.643	39%	0.386	S	S	*	.	S	Bend	trans	-158.2	166.8	179	64.1	-179.9	-179.9	178.9	0	109	S53 M60	K51-S53 PolarHBondContact O-N 2.85Å; K51-M60 WeakPolarHBondContact O-CE 3.5Å
52	P	97.8	Very high	96.7	Very high	94 Å²	94	68.4 Å²	68.4	61%	0.61	37%	0.373	S	S	*	.			trans	-52.2	133.4	174.9	-26.6	36.2	0	0	0	111.2	M60	P52-M60 VanDerWaalsContact CA-O 3.3Å; P52-M60 WeakPolarHBondContact CA-O 3.44Å
53	S	96.8	Very high	96.7	Very high	45 Å²	45	70.3 Å²	70.3	32%	0.315	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152	-171.1	-169.7	0	0	0	0	110.2	K48 K51 M60	K48-S53 PolarHBondContact O-OG 3.49Å; K51-S53 PolarHBondContact O-N 2.85Å; S53-M60 PolarHBondContact N-O 2.92Å; S53-M60 PolarHBondContact O-N 3.2Å
54	Q	96.7	Very high	96.5	Very high	119 Å²	119	75 Å²	75	56%	0.556	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.4	-178.2	176.1	173.2	26.4	0	0	110.4	G56 Y58 N59	Q54-G56 PolarHBondContact NE2-O 3.14Å; Q54-Y58 WeakPolarHBondContact CA-O 3.31Å; Q54-N59 VanDerWaalsContact CD-OD1 3.28Å; Q54-N59 VanDerWaalsContact CG-OD1 3.23Å; Q54-N59 WeakPolarHBondContact CG-OD1 3.15Å; Q54-N59 PolarHBondContact NE2-OD1 3.07Å
55	Q	96.7	Very high	96.3	Very high	125 Å²	125	72 Å²	72	58%	0.584	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	101.5	171.9	-175.5	64.1	20.5	0	0	109.2	V47 R57 Y58	V47-Q55 HydrophobicContact CB-CB 4.47Å; Q55-R57 PolarHBondContact O-N 2.89Å; Q55-R57 VanDerWaalsContact O-N 3.17Å; Q55-Y58 PolarHBondContact N-O 3.13Å; Q55-Y58 WeakPolarHBondContact O-CB 3.32Å; Q55-Y58 WeakPolarHBondContact O-CD2 3.29Å; Q55-Y58 PolarHBondContact O-N 3.49Å
56	G	95.7	Very high	96.3	Very high	61 Å²	61	69.3 Å²	69.3	63%	0.629	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-118	-177	0	0	0	0	0	112.2	Q54 Y58	Q54-G56 PolarHBondContact NE2-O 3.14Å; G56-Y58 VanDerWaalsContact C-N 3.32Å
57	R	96.5	Very high	96.3	Very high	49 Å²	49	68.5 Å²	68.5	19%	0.185	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.1	178.5	-61.4	-172.1	-58.7	117.9	-0.2	113.9	Q55 L72 Q73 D78	Q55-R57 PolarHBondContact O-N 2.89Å; Q55-R57 VanDerWaalsContact O-N 3.17Å; R57-L72 HydrophobicContact CB-CB 4.34Å; R57-L72 WeakPolarHBondContact CD-O 3.38Å; R57-L72 PolarHBondContact NH1-O 2.89Å; R57-L72 PolarHBondContact O-N 2.98Å; R57-Q73 PolarHBondContact NH1-O 3.26Å; R57-D78 IonicContact CZ-OD1 3.89Å; R57-D78 IonicContact CZ-OD2 3.32Å; R57-D78 VanDerWaalsContact CZ-OD2 3.32Å; R57-D78 IonicContact NH1-OD1 3.98Å; R57-D78 IonicContact NH1-OD2 2.81Å; R57-D78 PolarHBondContact NH1-OD2 3.46Å; R57-D78 VanDerWaalsContact NH2-CG 3.28Å; R57-D78 IonicContact NH2-OD1 2.88Å; R57-D78 PolarHBondContact NH2-OD1 2.86Å; R57-D78 IonicContact NH2-OD2 2.85Å; R57-D78 PolarHBondContact NH2-OD2 2.79Å
58	Y	97.9	Very high	96.4	Very high	30 Å²	30	68.4 Å²	68.4	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114	-177.1	-56.2	-68.9	0	0	0	109.9	L46 Q54 Q55 G56 L70 I71 D78 Y82	L46-Y58 HydrophobicContact CD1-CD1 4.01Å; L46-Y58 HydrophobicContact CD1-CE1 4Å; L46-Y58 HydrophobicContact CD1-CG 4.39Å; L46-Y58 HydrophobicContact CD2-CD2 4.25Å; L46-Y58 HydrophobicContact CD2-CE2 3.9Å; Q54-Y58 WeakPolarHBondContact CA-O 3.31Å; Q55-Y58 PolarHBondContact N-O 3.13Å; Q55-Y58 WeakPolarHBondContact O-CB 3.32Å; Q55-Y58 WeakPolarHBondContact O-CD2 3.29Å; Q55-Y58 PolarHBondContact O-N 3.49Å; G56-Y58 VanDerWaalsContact C-N 3.32Å; Y58-L70 WeakPolarHBondContact CA-O 3.45Å; Y58-I71 HydrophobicContact CD1-CB 4.41Å; Y58-I71 HydrophobicContact CD1-CD1 4.49Å; Y58-I71 HydrophobicContact CD1-CG1 4Å; Y58-I71 HydrophobicContact CD1-CG2 3.99Å; Y58-I71 HydrophobicContact CE1-CB 4.47Å; Y58-I71 HydrophobicContact CE1-CD1 4.26Å; Y58-I71 HydrophobicContact CE1-CG1 4.18Å; Y58-I71 HydrophobicContact CE1-CG2 3.69Å; Y58-D78 PolarHBondContact OH-OD1 3.06Å; Y58-Y82 HydrophobicContact CE1-CE1 4.5Å
59	N	98.1	Very high	96.5	Very high	43 Å²	43	62.9 Å²	62.9	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	177.4	-59.9	7	0	0	0	109.1	Q54 L69 L70	Q54-N59 VanDerWaalsContact CD-OD1 3.28Å; Q54-N59 VanDerWaalsContact CG-OD1 3.23Å; Q54-N59 WeakPolarHBondContact CG-OD1 3.15Å; Q54-N59 PolarHBondContact NE2-OD1 3.07Å; N59-L69 CarbonylContact O-C 3.54Å; N59-L69 WeakPolarHBondContact O-CA 3.13Å; N59-L70 HydrophobicContact CB-CB 4.2Å; N59-L70 PolarHBondContact N-O 3.06Å; N59-L70 PolarHBondContact O-N 3.31Å
60	M	98.3	Very high	96.7	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.025	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124	178.9	-172.4	-169.4	82.6	0	0	109.5	F32 V47 K51 P52 S53 S67 S68	F32-M60 HydrophobicContact CB-SD 4.05Å; V47-M60 HydrophobicContact CG1-CB 3.86Å; V47-M60 HydrophobicContact CG1-CG 4.4Å; V47-M60 HydrophobicContact CG1-SD 4.43Å; V47-M60 HydrophobicContact CG2-CB 3.9Å; V47-M60 HydrophobicContact CG2-SD 4.36Å; K51-M60 WeakPolarHBondContact O-CE 3.5Å; P52-M60 VanDerWaalsContact CA-O 3.3Å; P52-M60 WeakPolarHBondContact CA-O 3.44Å; S53-M60 PolarHBondContact N-O 2.92Å; S53-M60 PolarHBondContact O-N 3.2Å; M60-S67 WeakPolarHBondContact CG-OG 3.02Å; M60-S68 CarbonylContact C-O 3.59Å; M60-S68 VanDerWaalsContact CA-O 3.31Å; M60-S68 WeakPolarHBondContact CA-O 3.48Å
61	T	98.3	Very high	96.9	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.331	31%	0.308	S	S	.	.			trans	-83.5	162.6	165.9	71.7	0	0	0	0	110	S67 S68 L70	T61-S67 WeakPolarHBondContact O-CB 3.43Å; T61-S67 PolarHBondContact O-OG 2.68Å; T61-S68 PolarHBondContact N-O 2.86Å; T61-S68 WeakPolarHBondContact OG1-CB 3.3Å; T61-S68 PolarHBondContact OG1-N 2.88Å; T61-L70 HydrophobicContact CG2-CD1 3.69Å
62	Y	97	Very high	96.9	Very high	64 Å²	64	56.6 Å²	56.6	25%	0.251	29%	0.29	S	S	.	.			trans	-145.4	125.8	178.9	178	-87.1	0	0	0	110.5	Y30 F32 S50	Y30-Y62 PolarHBondContact O-OH 2.02Å; F32-Y62 AromaticContact CD2-CD2 3.63Å; F32-Y62 HydrophobicContact CD2-CD2 3.63Å; F32-Y62 AromaticContact CD2-CE2 3.69Å; F32-Y62 HydrophobicContact CD2-CE2 3.69Å; F32-Y62 HydrophobicContact CE2-CD2 4.06Å; F32-Y62 AromaticContact CE2-CE2 3.96Å; F32-Y62 HydrophobicContact CE2-CE2 3.96Å; S50-Y62 VanDerWaalsContact O-CE1 3.22Å; S50-Y62 WeakPolarHBondContact O-CE1 3.18Å; S50-Y62 VanDerWaalsContact O-CZ 3.3Å
63	E	95.1	Very high	96.9	Very high	127 Å²	127	57.8 Å²	57.8	59%	0.593	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-130	169.8	159.4	-53.4	-176.7	157.8	0	0	108.4	F32 F65 S66	F32-E63 WeakPolarHBondContact CE2-O 3.49Å; E63-F65 PolarHBondContact O-N 2.98Å; E63-F65 VanDerWaalsContact O-N 3.07Å; E63-S66 CarbonylContact C-O 3.56Å; E63-S66 WeakPolarHBondContact CB-OG 3.4Å; E63-S66 WeakPolarHBondContact CG-OG 3.2Å; E63-S66 PolarHBondContact N-O 3.14Å; E63-S66 PolarHBondContact O-N 2.98Å; E63-S66 PolarHBondContact OE2-OG 2.85Å
64	R	91.6	Very high	97	Very high	171 Å²	171	56.4 Å²	56.4	65%	0.645	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34	-175.4	-176.4	174.8	179.4	178.4	0.9	114.3	H24	H24-R64 PolarHBondContact CE1-O 2.77Å; H24-R64 PolarHBondContact NE2-O 2.82Å
65	F	94.1	Very high	96.9	Very high	87 Å²	87	57 Å²	57	38%	0.382	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	8.6	-175.4	-61.1	-65.3	0	0	0	113	N23 H24 E63	N23-F65 CarbonylContact C-O 3.57Å; N23-F65 WeakPolarHBondContact CA-O 3.41Å; N23-F65 WeakPolarHBondContact CB-O 3.34Å; H24-F65 AromaticContact CE1-CD1 3.73Å; H24-F65 PolarHBondContact N-O 2.83Å; H24-F65 WeakPolarHBondContact NE2-CA 3.41Å; E63-F65 PolarHBondContact O-N 2.98Å; E63-F65 VanDerWaalsContact O-N 3.07Å
66	S	96.1	Very high	96.8	Very high	13 Å²	13	58.7 Å²	58.7	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.1	-176.2	85.5	0	0	0	0	112.1	C22 F32 E63	C22-S66 CarbonylContact O-C 3.57Å; C22-S66 VanDerWaalsContact O-CA 3.25Å; C22-S66 WeakPolarHBondContact O-CA 3.32Å; F32-S66 VanDerWaalsContact CZ-C 3.43Å; E63-S66 CarbonylContact C-O 3.56Å; E63-S66 WeakPolarHBondContact CB-OG 3.4Å; E63-S66 WeakPolarHBondContact CG-OG 3.2Å; E63-S66 PolarHBondContact N-O 3.14Å; E63-S66 PolarHBondContact O-N 2.98Å; E63-S66 PolarHBondContact OE2-OG 2.85Å
67	S	97.6	Very high	96.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.4	172.6	179.7	0	0	0	0	108.5	C22 W34 M60 T61	C22-S67 WeakPolarHBondContact CA-O 3.31Å; C22-S67 VanDerWaalsContact CB-O 3.31Å; C22-S67 WeakPolarHBondContact CB-O 3.37Å; C22-S67 PolarHBondContact N-O 3.37Å; C22-S67 PolarHBondContact O-N 2.88Å; C22-S67 VanDerWaalsContact O-O 3.06Å; W34-S67 PolarHBondContact NE1-OG 2.82Å; W34-S67 VanDerWaalsContact NE1-OG 3.14Å; M60-S67 WeakPolarHBondContact CG-OG 3.02Å; T61-S67 WeakPolarHBondContact O-CB 3.43Å; T61-S67 PolarHBondContact O-OG 2.68Å
68	S	98.2	Very high	96.6	Very high	5 Å²	5	57.6 Å²	57.6	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.3	169.9	-63.6	0	0	0	0	109.8	E19 I20 F21 M60 T61	E19-S68 WeakPolarHBondContact OE1-CB 3.21Å; E19-S68 PolarHBondContact OE1-OG 2.76Å; I20-S68 CarbonylContact O-C 3.55Å; I20-S68 VanDerWaalsContact O-CA 3.29Å; I20-S68 WeakPolarHBondContact O-CA 3.33Å; F21-S68 WeakPolarHBondContact CD2-OG 3.47Å; M60-S68 CarbonylContact C-O 3.59Å; M60-S68 VanDerWaalsContact CA-O 3.31Å; M60-S68 WeakPolarHBondContact CA-O 3.48Å; T61-S68 PolarHBondContact N-O 2.86Å; T61-S68 WeakPolarHBondContact OG1-CB 3.3Å; T61-S68 PolarHBondContact OG1-N 2.88Å
69	L	98.5	Very high	96.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.9	164.5	-175.7	68.7	0	0	0	109.3	E19 I20 W34 L46 V47 N59 I71 Y82	E19-L69 WeakPolarHBondContact CA-O 3.19Å; I20-L69 HydrophobicContact CB-CB 4.45Å; I20-L69 PolarHBondContact N-O 3.33Å; I20-L69 PolarHBondContact O-N 2.76Å; W34-L69 HydrophobicContact CB-CD1 4.21Å; W34-L69 HydrophobicContact CB-CD2 4.23Å; W34-L69 HydrophobicContact CD2-CB 3.56Å; W34-L69 HydrophobicContact CD2-CD1 4.47Å; W34-L69 HydrophobicContact CD2-CD2 4.08Å; W34-L69 HydrophobicContact CD2-CG 4.25Å; W34-L69 HydrophobicContact CE3-CB 3.78Å; W34-L69 HydrophobicContact CE3-CD2 3.85Å; W34-L69 HydrophobicContact CE3-CG 4.4Å; W34-L69 HydrophobicContact CG-CB 4.04Å; W34-L69 HydrophobicContact CG-CD1 4.09Å; W34-L69 HydrophobicContact CG-CD2 4.26Å; W34-L69 HydrophobicContact CG-CG 4.37Å; W34-L69 HydrophobicContact CH2-CB 4.06Å; W34-L69 HydrophobicContact CZ2-CB 3.87Å; W34-L69 HydrophobicContact CZ3-CB 4.02Å; L46-L69 HydrophobicContact CD1-CD2 4.1Å; V47-L69 HydrophobicContact CG1-CD1 3.67Å; N59-L69 CarbonylContact O-C 3.54Å; N59-L69 WeakPolarHBondContact O-CA 3.13Å; L69-I71 HydrophobicContact CD2-CD1 4.31Å; L69-I71 HydrophobicContact CD2-CG1 4.21Å; L69-I71 HydrophobicContact CG-CG1 4.16Å; L69-Y82 HydrophobicContact CD2-CD1 3.67Å; L69-Y82 HydrophobicContact CD2-CE1 4.09Å
70	L	98.4	Very high	96.4	Very high	43 Å²	43	59.7 Å²	59.7	23%	0.225	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.7	168.1	-64.7	82.5	0	0	0	108.9	T17 V18 E19 Y58 N59 T61	T17-L70 HydrophobicContact CG2-CB 4.44Å; T17-L70 HydrophobicContact CG2-CD2 4.44Å; V18-L70 CarbonylContact O-C 3.58Å; V18-L70 VanDerWaalsContact O-CA 3.29Å; V18-L70 WeakPolarHBondContact O-CA 3.19Å; E19-L70 HydrophobicContact CB-CG 4.48Å; E19-L70 HydrophobicContact CG-CD1 4.45Å; E19-L70 HydrophobicContact CG-CG 4.29Å; Y58-L70 WeakPolarHBondContact CA-O 3.45Å; N59-L70 HydrophobicContact CB-CB 4.2Å; N59-L70 PolarHBondContact N-O 3.06Å; N59-L70 PolarHBondContact O-N 3.31Å; T61-L70 HydrophobicContact CG2-CD1 3.69Å
71	I	98.3	Very high	96.3	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.7	173.7	-44	178.2	0	0	0	107.4	T17 V18 I20 Y58 L69 V74 Y82	T17-I71 WeakPolarHBondContact CA-O 3.31Å; V18-I71 HydrophobicContact CG1-CB 3.73Å; V18-I71 HydrophobicContact CG1-CD1 4.05Å; V18-I71 HydrophobicContact CG1-CG1 4Å; V18-I71 PolarHBondContact N-O 2.72Å; V18-I71 VanDerWaalsContact N-O 3.13Å; V18-I71 PolarHBondContact O-N 2.69Å; I20-I71 HydrophobicContact CD1-CD1 4.19Å; Y58-I71 HydrophobicContact CD1-CB 4.41Å; Y58-I71 HydrophobicContact CD1-CD1 4.49Å; Y58-I71 HydrophobicContact CD1-CG1 4Å; Y58-I71 HydrophobicContact CD1-CG2 3.99Å; Y58-I71 HydrophobicContact CE1-CB 4.47Å; Y58-I71 HydrophobicContact CE1-CD1 4.26Å; Y58-I71 HydrophobicContact CE1-CG1 4.18Å; Y58-I71 HydrophobicContact CE1-CG2 3.69Å; L69-I71 HydrophobicContact CD2-CD1 4.31Å; L69-I71 HydrophobicContact CD2-CG1 4.21Å; L69-I71 HydrophobicContact CG-CG1 4.16Å; I71-V74 HydrophobicContact CB-CG2 4.47Å; I71-V74 HydrophobicContact CG2-CG2 4.5Å; I71-Y82 HydrophobicContact CD1-CD1 4.21Å; I71-Y82 HydrophobicContact CD1-CE1 3.46Å; I71-Y82 VanDerWaalsContact CD1-CE1 3.46Å; I71-Y82 HydrophobicContact CD1-CE2 4.08Å; I71-Y82 VanDerWaalsContact CD1-CZ 3.4Å; I71-Y82 WeakPolarHBondContact CD1-OH 3.11Å
72	L	97.9	Very high	96.3	Very high	51 Å²	51	60.7 Å²	60.7	27%	0.267	31%	0.309	S	S	.	.	S	Bend	trans	-80.7	144.5	-179.4	-53.5	-177.9	0	0	0	110.6	T17 R57 V74	T17-L72 HydrophobicContact CG2-CD2 3.71Å; R57-L72 HydrophobicContact CB-CB 4.34Å; R57-L72 WeakPolarHBondContact CD-O 3.38Å; R57-L72 PolarHBondContact NH1-O 2.89Å; R57-L72 PolarHBondContact O-N 2.98Å; L72-V74 PolarHBondContact O-N 3.15Å
73	Q	97.4	Very high	96.3	Very high	118 Å²	118	62.3 Å²	62.3	55%	0.551	32%	0.315	S	S	*	.	S	Bend	trans	50.7	56.9	176.1	-57.6	176.6	3.3	0	0	112.3	A16 R57 R75	A16-Q73 WeakPolarHBondContact O-CA 3.37Å; A16-Q73 PolarHBondContact O-N 3.15Å; A16-Q73 VanDerWaalsContact O-N 3.14Å; R57-Q73 PolarHBondContact NH1-O 3.26Å; Q73-R75 WeakPolarHBondContact O-CG 3Å
74	V	97.5	Very high	96.4	Very high	17 Å²	17	56.8 Å²	56.8	10%	0.103	29%	0.291	C	S	.	.			trans	-48.6	138.9	-178	172	0	0	0	0	111.2	E14 G15 A16 V18 I71 L72 D78	E14-V74 CarbonylContact C-O 3.6Å; E14-V74 WeakPolarHBondContact CA-O 3.25Å; E14-V74 WeakPolarHBondContact CG-O 3.31Å; G15-V74 PolarHBondContact N-O 3.36Å; A16-V74 WeakPolarHBondContact O-CG2 3.48Å; A16-V74 PolarHBondContact O-N 2.75Å; V18-V74 HydrophobicContact CB-CG2 3.98Å; V18-V74 HydrophobicContact CG1-CG2 3.48Å; V18-V74 VanDerWaalsContact CG1-CG2 3.48Å; I71-V74 HydrophobicContact CB-CG2 4.47Å; I71-V74 HydrophobicContact CG2-CG2 4.5Å; L72-V74 PolarHBondContact O-N 3.15Å; V74-D78 HydrophobicContact CG1-CB 4.41Å
75	R	96.6	Very high	96.5	Very high	130 Å²	130	50.3 Å²	50.3	49%	0.491	27%	0.273	S	S	.	.			trans	-124	162.4	178.2	-55.2	178.7	-175.4	178.8	-3.6	109.8	Q73 A77 D78	Q73-R75 WeakPolarHBondContact O-CG 3Å; R75-A77 PolarHBondContact O-N 3.19Å; R75-A77 VanDerWaalsContact O-N 3.15Å; R75-D78 PolarHBondContact N-OD2 2.82Å; R75-D78 WeakPolarHBondContact O-CB 3.22Å; R75-D78 PolarHBondContact O-N 3.49Å
76	E	94.1	Very high	96.6	Very high	161 Å²	161	47.2 Å²	47.2	75%	0.752	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-54	-36.2	174	-66.2	-170.3	156.3	0	0	112.6	D78 A79	E76-D78 PolarHBondContact O-N 2.83Å; E76-A79 WeakPolarHBondContact O-CB 3.32Å; E76-A79 PolarHBondContact O-N 2.89Å
77	A	92.3	Very high	96.1	Very high	73 Å²	73	50 Å²	50	60%	0.603	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-67.3	-12.3	176.7	0	0	0	0	0	114.5	F38 R75 A79	F38-A77 WeakPolarHBondContact CZ-O 2.95Å; R75-A77 PolarHBondContact O-N 3.19Å; R75-A77 VanDerWaalsContact O-N 3.15Å; A77-A79 VanDerWaalsContact C-N 3.3Å
78	D	95.2	Very high	94.9	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.08	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.5	-3.6	172.3	-61.9	-49.7	0	0	0	111.7	R57 Y58 V74 R75 E76 A80 Y82	R57-D78 IonicContact CZ-OD1 3.89Å; R57-D78 IonicContact CZ-OD2 3.32Å; R57-D78 VanDerWaalsContact CZ-OD2 3.32Å; R57-D78 IonicContact NH1-OD1 3.98Å; R57-D78 IonicContact NH1-OD2 2.81Å; R57-D78 PolarHBondContact NH1-OD2 3.46Å; R57-D78 VanDerWaalsContact NH2-CG 3.28Å; R57-D78 IonicContact NH2-OD1 2.88Å; R57-D78 PolarHBondContact NH2-OD1 2.86Å; R57-D78 IonicContact NH2-OD2 2.85Å; R57-D78 PolarHBondContact NH2-OD2 2.79Å; Y58-D78 PolarHBondContact OH-OD1 3.06Å; V74-D78 HydrophobicContact CG1-CB 4.41Å; R75-D78 PolarHBondContact N-OD2 2.82Å; R75-D78 WeakPolarHBondContact O-CB 3.22Å; R75-D78 PolarHBondContact O-N 3.49Å; E76-D78 PolarHBondContact O-N 2.83Å; D78-A80 PolarHBondContact O-N 2.62Å; D78-Y82 WeakPolarHBondContact O-CE2 3.41Å; D78-Y82 PolarHBondContact O-OH 2.74Å
79	A	95.6	Very high	93	Very high	83 Å²	83	56.6 Å²	56.6	69%	0.686	31%	0.31	S	S	*	.			trans	-72.2	93.8	174	0	0	0	0	0	110.7	E76 A77	E76-A79 WeakPolarHBondContact O-CB 3.32Å; E76-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact C-N 3.3Å
80	A	95.9	Very high	91	Very high	34 Å²	34	63.1 Å²	63.1	28%	0.281	34%	0.341	S	S	.	.	S	Bend	trans	-156.5	179.8	-173.3	0	0	0	0	0	111.9	L36 F38 D78 Y82	L36-A80 HydrophobicContact CD1-CB 3.38Å; L36-A80 HydrophobicContact CG-CB 4.44Å; F38-A80 HydrophobicContact CD1-CB 3.92Å; F38-A80 HydrophobicContact CE1-CB 3.6Å; F38-A80 HydrophobicContact CZ-CB 4.1Å; D78-A80 PolarHBondContact O-N 2.62Å; A80-Y82 HydrophobicContact CB-CE2 4.18Å
81	V	97.1	Very high	88.6	Confident	58 Å²	58	65.3 Å²	65.3	35%	0.352	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.4	170.2	-176.8	0	0	0	0	109.3	H37 Y83	H37-V81 HydrophobicContact CB-CB 4.26Å; H37-V81 PolarHBondContact N-O 2.8Å; H37-V81 PolarHBondContact O-N 3.46Å; H37-V81 VanDerWaalsContact O-N 3.08Å; V81-Y83 HydrophobicContact CG1-CD1 4.21Å; V81-Y83 HydrophobicContact CG1-CD2 4.43Å; V81-Y83 HydrophobicContact CG1-CE1 3.61Å; V81-Y83 HydrophobicContact CG1-CE2 3.9Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.43Å
82	Y	97.6	Very high	86	Confident	21 Å²	21	68.5 Å²	68.5	8%	0.082	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.4	174.1	-66.5	-99.3	0	0	0	109.5	Q6 I20 Y35 L36 L46 Y58 L69 I71 D78 A80	Q6-Y82 PolarHBondContact NE2-O 3Å; I20-Y82 HydrophobicContact CD1-CD1 4.18Å; I20-Y82 HydrophobicContact CD1-CD2 3.71Å; I20-Y82 HydrophobicContact CD1-CE2 4.36Å; I20-Y82 HydrophobicContact CD1-CG 3.61Å; Y35-Y82 VanDerWaalsContact O-CA 3.3Å; Y35-Y82 WeakPolarHBondContact O-CA 3.31Å; L36-Y82 HydrophobicContact CD1-CD1 4.2Å; L36-Y82 HydrophobicContact CD1-CE1 3.64Å; L36-Y82 HydrophobicContact CD1-CE2 4.05Å; L46-Y82 HydrophobicContact CD1-CD1 3.86Å; L46-Y82 HydrophobicContact CD1-CE1 3.65Å; Y58-Y82 HydrophobicContact CE1-CE1 4.5Å; L69-Y82 HydrophobicContact CD2-CD1 3.67Å; L69-Y82 HydrophobicContact CD2-CE1 4.09Å; I71-Y82 HydrophobicContact CD1-CD1 4.21Å; I71-Y82 HydrophobicContact CD1-CE1 3.46Å; I71-Y82 VanDerWaalsContact CD1-CE1 3.46Å; I71-Y82 HydrophobicContact CD1-CE2 4.08Å; I71-Y82 VanDerWaalsContact CD1-CZ 3.4Å; I71-Y82 WeakPolarHBondContact CD1-OH 3.11Å; D78-Y82 WeakPolarHBondContact O-CE2 3.41Å; D78-Y82 PolarHBondContact O-OH 2.74Å; A80-Y82 HydrophobicContact CB-CE2 4.18Å
83	Y	97.3	Very high	82.8	Confident	98 Å²	98	73.3 Å²	73.3	38%	0.384	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.1	175.9	-61.6	-63.1	0	0	0	110.5	W34 Y35 H37 V81	W34-Y83 WeakPolarHBondContact CA-O 3.38Å; Y35-Y83 PolarHBondContact N-O 3.02Å; Y35-Y83 PolarHBondContact O-N 3.48Å; H37-Y83 HydrophobicContact CB-CD2 3.92Å; H37-Y83 HydrophobicContact CB-CE2 3.51Å; H37-Y83 AromaticContact CG-CE2 3.72Å; H37-Y83 AromaticContact ND1-CE2 3.36Å; H37-Y83 WeakPolarHBondContact ND1-CE2 2.97Å; H37-Y83 AromaticContact ND1-CZ 3.8Å; H37-Y83 PolarHBondContact ND1-OH 2.79Å; V81-Y83 HydrophobicContact CG1-CD1 4.21Å; V81-Y83 HydrophobicContact CG1-CD2 4.43Å; V81-Y83 HydrophobicContact CG1-CE1 3.61Å; V81-Y83 HydrophobicContact CG1-CE2 3.9Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.43Å
84	C	96.6	Very high	80.4	Confident	12 Å²	12	76.4 Å²	76.4	8%	0.081	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.7	159.9	-178.8	0	0	0	0	109.5	V4 C22 F33 W34	V4-C84 HydrophobicContact CG1-CB 4.23Å; C22-C84 HydrophobicContact CB-CB 3.45Å; C22-C84 VanDerWaalsContact CB-CB 3.45Å; C22-C84 WeakPolarHBondContact CB-SG 3.07Å; C22-C84 WeakPolarHBondContact SG-CB 3.16Å; C22-C84 CovalentContact SG-SG 2.02Å; C22-C84 PolarHBondContact SG-SG 3.44Å; F33-C84 WeakPolarHBondContact O-CA 3.37Å; W34-C84 HydrophobicContact CD2-CB 4.42Å; W34-C84 HydrophobicContact CE3-CB 4.18Å; W34-C84 HydrophobicContact CH2-CB 3.87Å; W34-C84 HydrophobicContact CZ2-CB 4.1Å; W34-C84 HydrophobicContact CZ3-CB 3.91Å
85	A	95.3	Very high	79.6	Confident	34 Å²	34	79.4 Å²	79.4	28%	0.281	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.3	169.1	0	0	0	0	0	109.6	F33 Y35	F33-A85 HydrophobicContact CB-CB 4.36Å; F33-A85 PolarHBondContact N-O 3.43Å; F33-A85 PolarHBondContact O-N 3Å; Y35-A85 HydrophobicContact CE2-CB 4.13Å
86	V	94.2	Very high	78.7	Confident	22 Å²	22	76.7 Å²	76.7	13%	0.133	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.2	174.4	-67.1	0	0	0	0	109.3	V4 H24 V26 A29 N31 F32 D88	V4-V86 HydrophobicContact CG2-CG2 3.84Å; H24-V86 HydrophobicContact CB-CG1 4.32Å; H24-V86 HydrophobicContact CB-CG2 4.48Å; V26-V86 HydrophobicContact CB-CG2 4.11Å; V26-V86 HydrophobicContact CG2-CG2 3.59Å; A29-V86 HydrophobicContact CB-CB 3.84Å; A29-V86 HydrophobicContact CB-CG1 4.45Å; A29-V86 HydrophobicContact CB-CG2 4.17Å; N31-V86 VanDerWaalsContact O-CA 3.31Å; N31-V86 WeakPolarHBondContact O-CA 3.26Å; F32-V86 HydrophobicContact CD1-CG1 3.71Å; F32-V86 HydrophobicContact CE1-CG1 3.66Å; F32-V86 HydrophobicContact CG-CG1 4.3Å; F32-V86 HydrophobicContact CZ-CG1 4.21Å; V86-D88 PolarHBondContact O-N 3.21Å
87	E	86.8	Confident	77.8	Confident	72 Å²	72	72 Å²	72	34%	0.336	46%	0.455	S	S	.	.			trans	-67.3	114.3	171.3	-171.2	171.9	-142.8	0	0	108.9	A29 N31 F33 T89	A29-E87 VanDerWaalsContact CA-O 3.31Å; A29-E87 WeakPolarHBondContact CA-O 3.45Å; A29-E87 WeakPolarHBondContact CB-O 3.21Å; N31-E87 HydrophobicContact CB-CB 4.23Å; N31-E87 PolarHBondContact ND2-OE2 3.17Å; N31-E87 PolarHBondContact O-N 3.28Å; N31-E87 VanDerWaalsContact O-N 3.07Å; F33-E87 HydrophobicContact CE2-CB 3.99Å; E87-T89 HydrophobicContact CG-CG2 3.96Å; E87-T89 PolarHBondContact O-N 3.2Å
88	D	71.2	Confident	77	Confident	93 Å²	93	71.9 Å²	71.9	50%	0.497	45%	0.447	S	S	.	.			trans	-85.5	99.5	167.8	-165	1	0	0	0	107.9	V86 E90	V86-D88 PolarHBondContact O-N 3.21Å; D88-E90 PolarHBondContact O-N 3.07Å; D88-E90 WeakPolarHBondContact OD1-CG 3.47Å; D88-E90 PolarHBondContact OD1-N 3.31Å; D88-E90 VanDerWaalsContact OD1-N 3.15Å
89	T	59.7	Low	75.8	Confident	50 Å²	50	75.5 Å²	75.5	31%	0.307	47%	0.47	S	S	.	.			trans	-86.6	53.4	166.1	54.6	0	0	0	0	109.8	N28 E87 A91	N28-T89 WeakPolarHBondContact CB-OG1 3.42Å; N28-T89 PolarHBondContact O-OG1 3Å; E87-T89 HydrophobicContact CG-CG2 3.96Å; E87-T89 PolarHBondContact O-N 3.2Å; T89-A91 PolarHBondContact O-N 3.47Å
90	E	55.5	Low	74.5	Confident	138 Å²	138	75 Å²	75	65%	0.645	46%	0.455	S	S	*	.			trans	-57.8	98.7	143.6	-75.4	-84.6	140	0	0	104.5	D88 G92	D88-E90 PolarHBondContact O-N 3.07Å; D88-E90 WeakPolarHBondContact OD1-CG 3.47Å; D88-E90 PolarHBondContact OD1-N 3.31Å; D88-E90 VanDerWaalsContact OD1-N 3.15Å; E90-G92 PolarHBondContact O-N 3.41Å
91	A	49.2	Very low	73	Confident	89 Å²	89	77.9 Å²	77.9	74%	0.736	47%	0.468	S	S	*	.			trans	-55	97.1	161.4	0	0	0	0	0	104.4	T89 N93	T89-A91 PolarHBondContact O-N 3.47Å; A91-N93 PolarHBondContact O-N 2.79Å
92	G	42.1	Very low	71.1	Confident	69 Å²	69	79.5 Å²	79.5	71%	0.711	48%	0.476	S	S	*	.			trans	-56.7	95.2	173.3	0	0	0	0	0	105.8	E90 P94	E90-G92 PolarHBondContact O-N 3.41Å; G92-P94 WeakPolarHBondContact O-CD 3.35Å
93	N	31.8	Very low	68.9	Low	153 Å²	153	84.3 Å²	84.3	82%	0.818	51%	0.509	S	S	*	.			trans	-71	111.5	165.7	-166	48.5	0	0	0	103.7	A91	A91-N93 PolarHBondContact O-N 2.79Å
94	P	47.2	Very low	66.3	Low	182 Å²	182	83.1 Å²	83.1	100%	1.182	52%	0.521	S	S	*	.			trans	-57.8	0	175.8	25.7	-33.3	0	0	0	111.8	G92	G92-P94 WeakPolarHBondContact O-CD 3.35Å

Retrieved 94 of 94 residues in 101.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).