A0A075B5S1_MOUSE Loading...

Immunoglobulin heavy variable 9-1

AlphaFold DB , UniProt , Accession A0A075B5S1, Species MOUSE (Mus musculus, Mouse), Gene Ighv9-1, Length 98 aa.

						>A0A075B5S1_MOUSE|A0A075B5S1|Ighv9-1
QIQLVQSGPELKKPGETVKISCKASGYTFTEYPMHWVKQAPGKGFKWMGMIYTDTGEPTYAEEFKGRFAFSLETSASTAYLQINNLKNEDTATYFCVR
					

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	Q	89.5	Confident	96.1	Very high	205 Å²	205	100 Å²	100	96%	0.958	55%	0.55	S	S	*	*				0	134.3	0	179.5	176.8	-8.3	0	0	107.8
2	I	93.9	Very high	96.1	Very high	86 Å²	86	99 Å²	99	44%	0.441	54%	0.536	S	S	.	.			trans	-75.4	139.1	179.2	-63.1	173.2	0	0	0	109.4	Y27	I2-Y27 HydrophobicContact CB-CD1 4.39Å; I2-Y27 HydrophobicContact CD1-CD1 4.38Å; I2-Y27 HydrophobicContact CD1-CG 4.45Å; I2-Y27 HydrophobicContact CG1-CD1 4.02Å; I2-Y27 HydrophobicContact CG1-CG 4.37Å; I2-Y27 HydrophobicContact CG2-CD1 3.72Å; I2-Y27 HydrophobicContact CG2-CE1 3.87Å
3	Q	97.8	Very high	96.1	Very high	106 Å²	106	103.2 Å²	103.2	50%	0.495	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.3	174.5	-65.8	-175.3	-6.9	0	0	111	A24 S25	Q3-A24 WeakPolarHBondContact O-CA 3.47Å; Q3-S25 PolarHBondContact N-O 2.89Å; Q3-S25 PolarHBondContact O-N 3.23Å
4	L	98.3	Very high	96.1	Very high	55 Å²	55	102.1 Å²	102.1	29%	0.288	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	171.3	-58.8	-177.2	0	0	0	108.7	K23 A24 M34 R98	L4-K23 WeakPolarHBondContact CA-O 3.36Å; L4-A24 HydrophobicContact CD2-CB 3.74Å; L4-M34 HydrophobicContact CD1-SD 4.34Å; L4-M34 HydrophobicContact CD2-CE 3.79Å; L4-R98 HydrophobicContact CD1-CB 3.89Å; L4-R98 HydrophobicContact CD2-CB 4.18Å; L4-R98 HydrophobicContact CG-CB 4.44Å
5	V	98.6	Very high	96.2	Very high	88 Å²	88	98.1 Å²	98.1	53%	0.533	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.4	179.4	-179.3	0	0	0	0	108.6	C22 K23	V5-C22 WeakPolarHBondContact O-CA 3.26Å; V5-K23 PolarHBondContact N-O 2.72Å; V5-K23 PolarHBondContact O-N 3.08Å
6	Q	98.6	Very high	96.3	Very high	64 Å²	64	97.2 Å²	97.2	30%	0.299	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	154.4	179.5	-70.6	-172.8	-128.4	0	0	112.6	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.49Å; Q6-S21 WeakPolarHBondContact CA-O 3.41Å; Q6-C22 HydrophobicContact CG-CB 4.17Å; Q6-Y94 PolarHBondContact NE2-O 3.22Å; Q6-C96 WeakPolarHBondContact CG-SG 3.39Å
7	S	97.9	Very high	96.4	Very high	35 Å²	35	95.5 Å²	95.5	25%	0.245	53%	0.525	C	S	.	.			trans	-58.2	156.9	165.8	57.3	0	0	0	0	111.4	I20 S21	S7-I20 WeakPolarHBondContact OG-CA 3.25Å; S7-I20 WeakPolarHBondContact OG-CG2 3.48Å; S7-S21 WeakPolarHBondContact CB-OG 3.46Å; S7-S21 PolarHBondContact N-O 2.96Å; S7-S21 PolarHBondContact OG-N 3.21Å; S7-S21 VanDerWaalsContact OG-N 3.08Å
8	G	96.1	Very high	96.4	Very high	52 Å²	52	90.9 Å²	90.9	54%	0.536	50%	0.5	S	S	.	.			trans	-65.5	178.2	177.3	0	0	0	0	0	114
9	P	96.2	Very high	96.5	Very high	138 Å²	138	91.5 Å²	91.5	90%	0.896	50%	0.497	S	S	*	.			trans	-64.3	140.1	176.5	28.3	-34.6	0	0	0	111.1
10	E	94.9	Very high	96.6	Very high	100 Å²	100	87.9 Å²	87.9	47%	0.467	48%	0.477	S	S	.	.			trans	-115.4	123	179.2	-73.1	-74.6	162.8	0	0	109.4	K12 V18	E10-K12 VanDerWaalsContact OE2-CE 3.28Å; E10-K12 WeakPolarHBondContact OE2-CE 3.31Å; E10-K12 IonicContact OE2-NZ 3.9Å; E10-V18 HydrophobicContact CB-CG2 3.46Å; E10-V18 VanDerWaalsContact CB-CG2 3.46Å; E10-V18 HydrophobicContact CG-CG2 3.68Å
11	L	95.2	Very high	96.7	Very high	171 Å²	171	85.4 Å²	85.4	90%	0.895	47%	0.466	S	S	*	.			trans	-105.9	112.8	172.8	-177	63.8	0	0	0	109.1
12	K	96.4	Very high	97.1	Very high	88 Å²	88	75.7 Å²	75.7	38%	0.383	42%	0.421	S	S	.	.			trans	-131.3	157.2	-177.5	-62.8	-64.5	-178.4	-178	0	110.8	E10 E16 V18 L86	E10-K12 VanDerWaalsContact OE2-CE 3.28Å; E10-K12 WeakPolarHBondContact OE2-CE 3.31Å; E10-K12 IonicContact OE2-NZ 3.9Å; K12-E16 WeakPolarHBondContact CA-OE2 3.4Å; K12-E16 HydrophobicContact CB-CB 4.27Å; K12-V18 HydrophobicContact CG-CB 4.32Å; K12-L86 HydrophobicContact CB-CD2 3.8Å
13	K	96.3	Very high	97.4	Very high	153 Å²	153	77.3 Å²	77.3	67%	0.665	43%	0.425	S	S	*	.			trans	-82.1	155.8	175.4	-62.7	178.2	-176.5	175.4	0	110.5	E16	K13-E16 HydrophobicContact CB-CG 4.24Å; K13-E16 PolarHBondContact N-OE2 3.28Å; K13-E16 WeakPolarHBondContact O-CB 3.32Å; K13-E16 PolarHBondContact O-N 2.97Å
14	P	96.3	Very high	97.4	Very high	88 Å²	88	72.5 Å²	72.5	57%	0.571	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	141.5	170	-26.3	35.8	0	0	0	112	E16 L86 N88	P14-E16 VanDerWaalsContact C-N 3.28Å; P14-E16 PolarHBondContact O-N 2.85Å; P14-L86 CarbonylContact C-O 3.49Å; P14-L86 VanDerWaalsContact CA-O 3.25Å; P14-L86 WeakPolarHBondContact CA-O 3.02Å; P14-N88 WeakPolarHBondContact CG-OD1 3.43Å
15	G	97	Very high	97.4	Very high	42 Å²	42	72.2 Å²	72.2	43%	0.433	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-18.5	-177	0	0	0	0	0	115	L86	G15-L86 PolarHBondContact N-O 2.83Å
16	E	98	Very high	97.3	Very high	84 Å²	84	70.7 Å²	70.7	39%	0.393	41%	0.408	S	S	.	.			trans	-72.4	171.1	175.4	-63.8	-168.9	114.3	0	0	112.1	K12 K13 P14 L86	K12-E16 WeakPolarHBondContact CA-OE2 3.4Å; K12-E16 HydrophobicContact CB-CB 4.27Å; K13-E16 HydrophobicContact CB-CG 4.24Å; K13-E16 PolarHBondContact N-OE2 3.28Å; K13-E16 WeakPolarHBondContact O-CB 3.32Å; K13-E16 PolarHBondContact O-N 2.97Å; P14-E16 VanDerWaalsContact C-N 3.28Å; P14-E16 PolarHBondContact O-N 2.85Å; E16-L86 VanDerWaalsContact O-CB 3.26Å; E16-L86 WeakPolarHBondContact O-CB 3.25Å; E16-L86 PolarHBondContact O-N 2.96Å
17	T	97.4	Very high	97.2	Very high	69 Å²	69	69.7 Å²	69.7	42%	0.423	40%	0.402	S	S	.	.			trans	-106.1	136.8	172.2	-63.9	0	0	0	0	109.7	Q82 I83 N84	T17-Q82 HydrophobicContact CG2-CG 3.55Å; T17-I83 WeakPolarHBondContact CA-O 3.37Å; T17-N84 PolarHBondContact OG1-OD1 3.16Å
18	V	97.5	Very high	97.2	Very high	12 Å²	12	71.3 Å²	71.3	7%	0.073	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.9	170.1	63	0	0	0	0	109.7	E10 K12 I20 Q82 I83 L86	E10-V18 HydrophobicContact CB-CG2 3.46Å; E10-V18 VanDerWaalsContact CB-CG2 3.46Å; E10-V18 HydrophobicContact CG-CG2 3.68Å; K12-V18 HydrophobicContact CG-CB 4.32Å; V18-I20 HydrophobicContact CG2-CG1 4.44Å; V18-Q82 WeakPolarHBondContact O-CA 3.48Å; V18-I83 HydrophobicContact CG1-CB 3.69Å; V18-I83 HydrophobicContact CG1-CD1 3.74Å; V18-I83 HydrophobicContact CG1-CG1 3.81Å; V18-I83 PolarHBondContact N-O 2.79Å; V18-I83 VanDerWaalsContact N-O 3.12Å; V18-I83 PolarHBondContact O-N 2.88Å; V18-L86 HydrophobicContact CG1-CD1 4.06Å
19	K	97.8	Very high	97.3	Very high	103 Å²	103	69.2 Å²	69.2	45%	0.448	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.9	176.8	-171.8	176.2	-178.4	-178.8	0	109.3	Y80 L81	K19-Y80 HydrophobicContact CD-CD1 4.4Å; K19-Y80 VanDerWaalsContact CE-CD1 3.43Å; K19-Y80 VanDerWaalsContact CE-CG 3.47Å; K19-Y80 HydrophobicContact CG-CD1 4.36Å; K19-L81 CarbonylContact C-O 3.56Å; K19-L81 WeakPolarHBondContact CA-O 3.5Å
20	I	98.6	Very high	97.3	Very high	18 Å²	18	65.1 Å²	65.1	9%	0.092	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131	179.2	-57.6	175.1	0	0	0	107.5	S7 V18 W36 Y80 L81 Y94	S7-I20 WeakPolarHBondContact OG-CA 3.25Å; S7-I20 WeakPolarHBondContact OG-CG2 3.48Å; V18-I20 HydrophobicContact CG2-CG1 4.44Å; I20-W36 HydrophobicContact CG2-CH2 4.26Å; I20-W36 HydrophobicContact CG2-CZ3 4.12Å; I20-Y80 CarbonylContact O-C 3.57Å; I20-Y80 VanDerWaalsContact O-CA 3.23Å; I20-Y80 WeakPolarHBondContact O-CA 3.39Å; I20-L81 HydrophobicContact CB-CB 4.35Å; I20-L81 HydrophobicContact CD1-CD2 4.4Å; I20-L81 PolarHBondContact N-O 2.78Å; I20-L81 PolarHBondContact O-N 2.93Å; I20-Y94 HydrophobicContact CD1-CD2 3.73Å; I20-Y94 HydrophobicContact CD1-CG 3.83Å
21	S	98.6	Very high	97.4	Very high	37 Å²	37	65.8 Å²	65.8	26%	0.259	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.7	173.6	68.9	0	0	0	0	111.2	Q6 S7 A79	Q6-S21 CarbonylContact C-O 3.49Å; Q6-S21 WeakPolarHBondContact CA-O 3.41Å; S7-S21 WeakPolarHBondContact CB-OG 3.46Å; S7-S21 PolarHBondContact N-O 2.96Å; S7-S21 PolarHBondContact OG-N 3.21Å; S7-S21 VanDerWaalsContact OG-N 3.08Å; S21-A79 CarbonylContact C-O 3.58Å
22	C	98.8	Very high	97.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	105.7	171.8	175.9	0	0	0	0	109.3	V5 Q6 W36 T78 A79 C96	V5-C22 WeakPolarHBondContact O-CA 3.26Å; Q6-C22 HydrophobicContact CG-CB 4.17Å; C22-W36 HydrophobicContact CB-CH2 3.7Å; C22-W36 HydrophobicContact CB-CZ2 4.12Å; C22-T78 CarbonylContact O-C 3.57Å; C22-T78 WeakPolarHBondContact O-CA 3.44Å; C22-A79 PolarHBondContact N-O 2.91Å; C22-A79 PolarHBondContact O-N 3.16Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.17Å; C22-C96 WeakPolarHBondContact SG-CB 3.47Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 3.26Å
23	K	98.6	Very high	97.6	Very high	121 Å²	121	59.9 Å²	59.9	53%	0.526	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.1	177.2	-175.2	171.6	-176.5	176.2	0	110	L4 V5	L4-K23 WeakPolarHBondContact CA-O 3.36Å; V5-K23 PolarHBondContact N-O 2.72Å; V5-K23 PolarHBondContact O-N 3.08Å
24	A	98.5	Very high	97.7	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.6	178.8	0	0	0	0	0	111.3	Q3 L4 Y27 F29 M34 S77	Q3-A24 WeakPolarHBondContact O-CA 3.47Å; L4-A24 HydrophobicContact CD2-CB 3.74Å; A24-Y27 HydrophobicContact CB-CE1 3.69Å; A24-Y27 WeakPolarHBondContact CB-OH 3.28Å; A24-F29 HydrophobicContact CB-CD2 3.59Å; A24-F29 HydrophobicContact CB-CE2 3.97Å; A24-M34 HydrophobicContact CB-CE 4.14Å; A24-S77 PolarHBondContact N-O 2.72Å; A24-S77 WeakPolarHBondContact O-CB 3.43Å
25	S	98.1	Very high	97.8	Very high	50 Å²	50	50.8 Å²	50.8	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	163.2	173.3	61	0	0	0	0	111.5	Q3	Q3-S25 PolarHBondContact N-O 2.89Å; Q3-S25 PolarHBondContact O-N 3.23Å
26	G	97.3	Very high	97.9	Very high	56 Å²	56	48.8 Å²	48.8	58%	0.577	26%	0.261	S	S	*	.	S	Bend	trans	84.4	10.5	-179.9	0	0	0	0	0	115.5
27	Y	96.3	Very high	97.9	Very high	43 Å²	43	45.8 Å²	45.8	17%	0.169	25%	0.248	C	C	.	.	S	Bend	trans	-157.4	169.4	170.2	71.3	-73.7	0	0	0	110	I2 A24 F29 Y32 R98	I2-Y27 HydrophobicContact CB-CD1 4.39Å; I2-Y27 HydrophobicContact CD1-CD1 4.38Å; I2-Y27 HydrophobicContact CD1-CG 4.45Å; I2-Y27 HydrophobicContact CG1-CD1 4.02Å; I2-Y27 HydrophobicContact CG1-CG 4.37Å; I2-Y27 HydrophobicContact CG2-CD1 3.72Å; I2-Y27 HydrophobicContact CG2-CE1 3.87Å; A24-Y27 HydrophobicContact CB-CE1 3.69Å; A24-Y27 WeakPolarHBondContact CB-OH 3.28Å; Y27-F29 PolarHBondContact O-N 2.74Å; Y27-Y32 HydrophobicContact CD2-CD2 4.04Å; Y27-Y32 HydrophobicContact CE2-CD2 4.31Å; Y27-R98 HydrophobicContact CE1-CG 3.93Å; Y27-R98 HydrophobicContact CE2-CG 3.98Å; Y27-R98 WeakPolarHBondContact OH-CD 3.4Å
28	T	97.3	Very high	98	Very high	69 Å²	69	43.4 Å²	43.4	42%	0.423	23%	0.232	S	C	.	.			trans	-71.8	109.4	172.4	-49.2	0	0	0	0	109.4	T30 E31	T28-T30 PolarHBondContact O-N 3.22Å; T28-E31 WeakPolarHBondContact CB-OE1 3.39Å; T28-E31 HydrophobicContact CG2-CG 3.89Å; T28-E31 PolarHBondContact O-N 3.44Å; T28-E31 PolarHBondContact OG1-OE1 2.8Å
29	F	97.5	Very high	98	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.035	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-52.8	-35	-173.3	179.1	-117.2	0	0	0	113.8	A24 Y27 M34 T53 L72 T74 A79	A24-F29 HydrophobicContact CB-CD2 3.59Å; A24-F29 HydrophobicContact CB-CE2 3.97Å; Y27-F29 PolarHBondContact O-N 2.74Å; F29-M34 HydrophobicContact CE2-CE 4.02Å; F29-T53 HydrophobicContact CD2-CG2 4.39Å; F29-T53 HydrophobicContact CE1-CG2 4.1Å; F29-T53 HydrophobicContact CE2-CG2 3.97Å; F29-T53 HydrophobicContact CZ-CG2 3.82Å; F29-T53 WeakPolarHBondContact O-CB 3.44Å; F29-T53 WeakPolarHBondContact O-CG2 3.32Å; F29-T53 PolarHBondContact O-OG1 3.01Å; F29-L72 HydrophobicContact CE1-CB 4.34Å; F29-L72 HydrophobicContact CE1-CD2 4.33Å; F29-L72 HydrophobicContact CZ-CB 4.33Å; F29-T74 HydrophobicContact CD1-CG2 4.47Å; F29-A79 HydrophobicContact CZ-CB 4.29Å
30	T	97.8	Very high	98	Very high	51 Å²	51	42.2 Å²	42.2	31%	0.313	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-81.1	-11.9	-176.9	55.2	0	0	0	0	114.7	T28 Y32 T53 T74	T28-T30 PolarHBondContact O-N 3.22Å; T30-Y32 PolarHBondContact O-N 2.89Å; T30-T53 WeakPolarHBondContact CA-OG1 3.15Å; T30-T53 PolarHBondContact O-OG1 3.49Å; T30-T74 HydrophobicContact CG2-CG2 3.42Å; T30-T74 VanDerWaalsContact CG2-CG2 3.42Å
31	E	97.2	Very high	98	Very high	114 Å²	114	46.3 Å²	46.3	53%	0.533	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70	-15.6	-176.4	-82.4	171.8	-162.5	0	0	113.2	T28	T28-E31 WeakPolarHBondContact CB-OE1 3.39Å; T28-E31 HydrophobicContact CG2-CG 3.89Å; T28-E31 PolarHBondContact O-N 3.44Å; T28-E31 PolarHBondContact OG1-OE1 2.8Å
32	Y	96.4	Very high	97.9	Very high	106 Å²	106	48.8 Å²	48.8	42%	0.416	29%	0.291	S	S	.	.	S	Bend	trans	-156.6	144.2	-171.1	-55.4	-85.9	0	0	0	114.6	Y27 T30 T53 R98	Y27-Y32 HydrophobicContact CD2-CD2 4.04Å; Y27-Y32 HydrophobicContact CE2-CD2 4.31Å; T30-Y32 PolarHBondContact O-N 2.89Å; Y32-T53 VanDerWaalsContact C-OG1 3.29Å; Y32-T53 VanDerWaalsContact O-CG2 3.3Å; Y32-T53 WeakPolarHBondContact O-CG2 3.36Å; Y32-T53 PolarHBondContact O-OG1 2.72Å; Y32-R98 VanDerWaalsContact CB-NH2 3.26Å; Y32-R98 VanDerWaalsContact CE1-NH2 3.28Å; Y32-R98 VanDerWaalsContact CG-NE 3.32Å
33	P	98	Very high	97.8	Very high	29 Å²	29	55.8 Å²	55.8	19%	0.188	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-58.1	149.5	178.1	-22.6	32.9	0	0	0	113.8	M50 I51 Y52	P33-M50 HydrophobicContact CB-CB 4.28Å; P33-M50 HydrophobicContact CB-CG 4.31Å; P33-M50 HydrophobicContact CB-SD 3.76Å; P33-M50 HydrophobicContact CG-CE 4.48Å; P33-M50 HydrophobicContact CG-SD 4.13Å; P33-I51 VanDerWaalsContact CA-O 3.26Å; P33-I51 WeakPolarHBondContact CA-O 3.35Å; P33-Y52 HydrophobicContact CG-CD1 3.8Å; P33-Y52 HydrophobicContact CG-CE1 4.01Å
34	M	98.5	Very high	97.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.9	168.5	-175	64.3	66.9	0	0	109.3	L4 A24 F29 M50 I51 T53 A79 C96 R98	L4-M34 HydrophobicContact CD1-SD 4.34Å; L4-M34 HydrophobicContact CD2-CE 3.79Å; A24-M34 HydrophobicContact CB-CE 4.14Å; F29-M34 HydrophobicContact CE2-CE 4.02Å; M34-M50 CarbonylContact O-C 3.56Å; M34-M50 WeakPolarHBondContact O-CA 3.47Å; M34-M50 VanDerWaalsContact O-CB 3.32Å; M34-M50 WeakPolarHBondContact O-CB 3.27Å; M34-I51 HydrophobicContact CB-CG2 3.98Å; M34-I51 PolarHBondContact N-O 2.93Å; M34-I51 PolarHBondContact O-N 3.49Å; M34-T53 HydrophobicContact CB-CG2 4.26Å; M34-A79 HydrophobicContact CB-CB 4.16Å; M34-A79 HydrophobicContact CG-CB 3.76Å; M34-C96 HydrophobicContact CG-CB 4.34Å; M34-C96 HydrophobicContact SD-CB 3.81Å; M34-R98 HydrophobicContact CE-CB 4.45Å; M34-R98 HydrophobicContact SD-CB 4.43Å
35	H	98.8	Very high	97.7	Very high	51 Å²	51	58.8 Å²	58.8	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	152.5	176.9	-62.2	-92.9	0	0	0	111.4	W47 G49 M50 C96 V97	H35-W47 AromaticContact CG-NE1 3.94Å; H35-W47 AromaticContact ND1-CE2 3.93Å; H35-W47 AromaticContact ND1-NE1 3.14Å; H35-W47 PolarHBondContact ND1-NE1 2.75Å; H35-W47 VanDerWaalsContact ND1-NE1 3.14Å; H35-G49 WeakPolarHBondContact CA-O 3.37Å; H35-M50 HydrophobicContact CB-CB 4.43Å; H35-M50 PolarHBondContact CE1-SD 2.91Å; H35-M50 WeakPolarHBondContact ND1-CB 2.98Å; H35-C96 CarbonylContact O-C 3.58Å; H35-C96 VanDerWaalsContact O-CA 3.31Å; H35-C96 WeakPolarHBondContact O-CA 3.44Å; H35-V97 HydrophobicContact CB-CB 4.26Å; H35-V97 PolarHBondContact N-O 2.79Å; H35-V97 PolarHBondContact O-N 3.17Å
36	W	98.8	Very high	97.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.9	171.3	-69.8	98.8	0	0	0	111	I20 C22 M48 G49 F70 A79 L81 F95 C96	I20-W36 HydrophobicContact CG2-CH2 4.26Å; I20-W36 HydrophobicContact CG2-CZ3 4.12Å; C22-W36 HydrophobicContact CB-CH2 3.7Å; C22-W36 HydrophobicContact CB-CZ2 4.12Å; W36-M48 HydrophobicContact CB-CB 4.28Å; W36-M48 HydrophobicContact CB-SD 4.19Å; W36-M48 WeakPolarHBondContact O-CB 3.49Å; W36-M48 PolarHBondContact O-N 2.97Å; W36-G49 PolarHBondContact N-O 2.8Å; W36-F70 HydrophobicContact CB-CD1 4.41Å; W36-F70 HydrophobicContact CB-CE1 3.72Å; W36-F70 HydrophobicContact CB-CZ 3.91Å; W36-F70 AromaticContact CD1-CD1 3.32Å; W36-F70 AromaticContact CD1-CE1 3.51Å; W36-F70 AromaticContact CD1-CG 3.68Å; W36-F70 AromaticContact CG-CD1 3.93Å; W36-F70 HydrophobicContact CG-CD1 3.93Å; W36-F70 AromaticContact CG-CE1 3.73Å; W36-F70 HydrophobicContact CG-CE1 3.73Å; W36-F70 HydrophobicContact CG-CZ 4.26Å; W36-F70 AromaticContact NE1-CD1 3.8Å; W36-A79 HydrophobicContact CZ2-CB 4.2Å; W36-L81 HydrophobicContact CD2-CB 3.78Å; W36-L81 HydrophobicContact CD2-CD2 4.25Å; W36-L81 HydrophobicContact CE3-CB 3.79Å; W36-L81 HydrophobicContact CE3-CD2 3.87Å; W36-L81 HydrophobicContact CE3-CG 4.48Å; W36-L81 HydrophobicContact CG-CB 4.47Å; W36-L81 HydrophobicContact CH2-CB 3.83Å; W36-L81 HydrophobicContact CZ2-CB 3.83Å; W36-L81 HydrophobicContact CZ3-CB 3.81Å; W36-L81 HydrophobicContact CZ3-CD2 4.34Å; W36-F95 CarbonylContact C-O 3.6Å; W36-F95 WeakPolarHBondContact CA-O 3.17Å; W36-C96 HydrophobicContact CD2-CB 4.39Å; W36-C96 HydrophobicContact CE3-CB 4.02Å; W36-C96 HydrophobicContact CH2-CB 3.92Å; W36-C96 HydrophobicContact CZ2-CB 4.26Å; W36-C96 HydrophobicContact CZ3-CB 3.79Å
37	V	98.7	Very high	97.7	Very high	20 Å²	20	63.9 Å²	63.9	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.4	-177.1	-179.1	0	0	0	0	109.4	F45 K46 Y94 F95 V97	V37-F45 HydrophobicContact CG1-CB 3.74Å; V37-F45 HydrophobicContact CG1-CD1 3.78Å; V37-F45 HydrophobicContact CG1-CG 4.19Å; V37-K46 CarbonylContact C-O 3.57Å; V37-K46 WeakPolarHBondContact CA-O 3.44Å; V37-K46 WeakPolarHBondContact CG1-O 3.19Å; V37-Y94 CarbonylContact O-C 3.56Å; V37-Y94 WeakPolarHBondContact O-CA 3.48Å; V37-F95 HydrophobicContact CB-CB 4.43Å; V37-F95 PolarHBondContact N-O 2.78Å; V37-F95 PolarHBondContact O-N 3.48Å; V37-V97 HydrophobicContact CG2-CG2 4Å
38	K	98.3	Very high	97.8	Very high	20 Å²	20	61.8 Å²	61.8	9%	0.087	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.9	174.4	-177.5	-179	178.8	-176.7	0	110	K46 M48 F64 E89 D90 A92 Y94	K38-K46 PolarHBondContact N-O 3.33Å; K38-K46 PolarHBondContact O-N 2.8Å; K38-M48 HydrophobicContact CB-CG 3.96Å; K38-M48 HydrophobicContact CB-SD 3.74Å; K38-F64 HydrophobicContact CB-CE1 4.26Å; K38-F64 HydrophobicContact CB-CZ 4.33Å; K38-F64 HydrophobicContact CD-CE1 3.77Å; K38-F64 HydrophobicContact CD-CZ 4.32Å; K38-E89 PolarHBondContact NZ-O 2.92Å; K38-D90 IonicContact NZ-OD1 3.75Å; K38-A92 HydrophobicContact CD-CB 4.13Å; K38-A92 HydrophobicContact CG-CB 3.53Å; K38-Y94 HydrophobicContact CB-CD1 4.12Å; K38-Y94 HydrophobicContact CB-CE1 3.95Å; K38-Y94 HydrophobicContact CD-CE1 3.89Å; K38-Y94 HydrophobicContact CG-CD1 4.21Å; K38-Y94 HydrophobicContact CG-CE1 3.71Å
39	Q	98.5	Very high	97.9	Very high	60 Å²	60	58.5 Å²	58.5	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	105.3	169.3	-168.5	-176.8	25.8	0	0	110.2	F45 A92 T93 F95	Q39-F45 HydrophobicContact CB-CD1 3.84Å; Q39-F45 HydrophobicContact CB-CE1 3.95Å; Q39-F45 HydrophobicContact CG-CD1 4.07Å; Q39-F45 HydrophobicContact CG-CE1 4.02Å; Q39-F45 VanDerWaalsContact OE1-CE1 3.25Å; Q39-A92 WeakPolarHBondContact O-CA 3.47Å; Q39-A92 VanDerWaalsContact O-CB 3.31Å; Q39-A92 WeakPolarHBondContact O-CB 3.45Å; Q39-T93 PolarHBondContact N-O 2.99Å; Q39-T93 PolarHBondContact O-N 3.04Å; Q39-F95 HydrophobicContact CB-CD2 4.45Å; Q39-F95 HydrophobicContact CB-CE2 3.89Å
40	A	97.6	Very high	97.9	Very high	29 Å²	29	59.4 Å²	59.4	24%	0.24	32%	0.323	C	S	.	.			trans	-78.3	152.7	172.3	0	0	0	0	0	110.8	G42 K43 A92	A40-G42 PolarHBondContact O-N 2.84Å; A40-K43 HydrophobicContact CB-CB 4.08Å; A40-K43 HydrophobicContact CB-CG 3.93Å; A40-K43 WeakPolarHBondContact O-CB 3.21Å; A40-K43 PolarHBondContact O-N 2.86Å; A40-A92 HydrophobicContact CB-CB 4.39Å
41	P	97.6	Very high	98	Very high	105 Å²	105	57 Å²	57	68%	0.682	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	127.8	177.6	-27	35	0	0	0	112.5	K43	P41-K43 PolarHBondContact O-N 3.4Å
42	G	97.3	Very high	98.1	Very high	88 Å²	88	55.9 Å²	55.9	91%	0.907	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	12.3	-178.9	0	0	0	0	0	115	A40	A40-G42 PolarHBondContact O-N 2.84Å
43	K	96.5	Very high	98.1	Very high	147 Å²	147	50.9 Å²	50.9	64%	0.639	28%	0.28	S	S	*	.	S	Bend	trans	-115	158.6	176.6	-56.1	-60.2	-179.3	-175.6	0	111	A40 P41	A40-K43 HydrophobicContact CB-CB 4.08Å; A40-K43 HydrophobicContact CB-CG 3.93Å; A40-K43 WeakPolarHBondContact O-CB 3.21Å; A40-K43 PolarHBondContact O-N 2.86Å; P41-K43 PolarHBondContact O-N 3.4Å
44	G	96.7	Very high	98.1	Very high	54 Å²	54	54.7 Å²	54.7	56%	0.557	30%	0.299	S	S	*	.			trans	-69.9	167.8	171.6	0	0	0	0	0	112.5
45	F	98.2	Very high	98.1	Very high	135 Å²	135	58.6 Å²	58.6	59%	0.592	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.7	172.4	-65.1	-75.6	0	0	0	110.7	V37 Q39 F95	V37-F45 HydrophobicContact CG1-CB 3.74Å; V37-F45 HydrophobicContact CG1-CD1 3.78Å; V37-F45 HydrophobicContact CG1-CG 4.19Å; Q39-F45 HydrophobicContact CB-CD1 3.84Å; Q39-F45 HydrophobicContact CB-CE1 3.95Å; Q39-F45 HydrophobicContact CG-CD1 4.07Å; Q39-F45 HydrophobicContact CG-CE1 4.02Å; Q39-F45 VanDerWaalsContact OE1-CE1 3.25Å; F45-F95 HydrophobicContact CD1-CD2 4.41Å; F45-F95 HydrophobicContact CD1-CE2 4.46Å; F45-F95 HydrophobicContact CE1-CD2 4.03Å; F45-F95 AromaticContact CE1-CE2 3.76Å; F45-F95 HydrophobicContact CE1-CE2 3.76Å
46	K	98.3	Very high	98	Very high	93 Å²	93	57.5 Å²	57.5	40%	0.404	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.7	171	-70.7	-167.5	173.6	-163.1	0	109.6	V37 K38 M48 E63 F64	V37-K46 CarbonylContact C-O 3.57Å; V37-K46 WeakPolarHBondContact CA-O 3.44Å; V37-K46 WeakPolarHBondContact CG1-O 3.19Å; K38-K46 PolarHBondContact N-O 3.33Å; K38-K46 PolarHBondContact O-N 2.8Å; K46-M48 PolarHBondContact O-N 2.91Å; K46-E63 IonicContact NZ-OE1 3.08Å; K46-E63 PolarHBondContact NZ-OE1 3.17Å; K46-E63 IonicContact NZ-OE2 3.88Å; K46-E63 PolarHBondContact NZ-OE2 3.11Å; K46-F64 HydrophobicContact CB-CE2 4.31Å; K46-F64 HydrophobicContact CB-CZ 4Å; K46-F64 HydrophobicContact CD-CZ 4.21Å
47	W	98.4	Very high	98	Very high	119 Å²	119	63.5 Å²	63.5	45%	0.451	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125.6	171.1	-176.5	77.7	0	0	0	109.8	H35 G49 M50 A61	H35-W47 AromaticContact CG-NE1 3.94Å; H35-W47 AromaticContact ND1-CE2 3.93Å; H35-W47 AromaticContact ND1-NE1 3.14Å; H35-W47 PolarHBondContact ND1-NE1 2.75Å; H35-W47 VanDerWaalsContact ND1-NE1 3.14Å; W47-G49 VanDerWaalsContact CE2-CA 3.5Å; W47-G49 VanDerWaalsContact CZ2-C 3.46Å; W47-G49 PolarHBondContact NE1-O 2.87Å; W47-M50 HydrophobicContact CZ2-CB 4.45Å; W47-M50 HydrophobicContact CZ2-CG 4.28Å; W47-A61 HydrophobicContact CE3-CB 3.98Å; W47-A61 HydrophobicContact CZ3-CB 4.08Å
48	M	98.3	Very high	98	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-31.8	-178.1	-57.1	173.3	64.2	0	0	112	W36 K38 K46 Y60 A61 F64 F68 F70 L81 Y94	W36-M48 HydrophobicContact CB-CB 4.28Å; W36-M48 HydrophobicContact CB-SD 4.19Å; W36-M48 WeakPolarHBondContact O-CB 3.49Å; W36-M48 PolarHBondContact O-N 2.97Å; K38-M48 HydrophobicContact CB-CG 3.96Å; K38-M48 HydrophobicContact CB-SD 3.74Å; K46-M48 PolarHBondContact O-N 2.91Å; M48-Y60 WeakPolarHBondContact O-CA 3.42Å; M48-A61 PolarHBondContact O-N 2.8Å; M48-F64 HydrophobicContact CB-CB 4.41Å; M48-F64 HydrophobicContact CB-CD1 4.3Å; M48-F64 HydrophobicContact CB-CD2 3.96Å; M48-F64 HydrophobicContact CB-CE2 4.27Å; M48-F64 HydrophobicContact CB-CG 3.95Å; M48-F64 HydrophobicContact CE-CD1 3.76Å; M48-F64 HydrophobicContact CE-CE1 4.2Å; M48-F64 HydrophobicContact CE-CG 4.32Å; M48-F64 HydrophobicContact CG-CD1 3.91Å; M48-F64 HydrophobicContact CG-CD2 4.08Å; M48-F64 HydrophobicContact CG-CE1 3.82Å; M48-F64 HydrophobicContact CG-CE2 3.97Å; M48-F64 HydrophobicContact CG-CG 4.04Å; M48-F64 HydrophobicContact CG-CZ 3.84Å; M48-F68 HydrophobicContact CE-CB 4.3Å; M48-F68 HydrophobicContact CE-CD1 3.3Å; M48-F68 HydrophobicContact CE-CE1 3.67Å; M48-F68 HydrophobicContact CE-CG 3.84Å; M48-F68 HydrophobicContact CE-CZ 4.47Å; M48-F70 HydrophobicContact CB-CZ 3.98Å; M48-F70 HydrophobicContact CE-CE1 4.49Å; M48-L81 HydrophobicContact CE-CD1 4.05Å; M48-L81 HydrophobicContact CE-CD2 3.95Å; M48-L81 HydrophobicContact SD-CD2 4.18Å; M48-Y94 HydrophobicContact CE-CD1 4.07Å; M48-Y94 HydrophobicContact CE-CE1 3.85Å; M48-Y94 HydrophobicContact SD-CD1 3.63Å; M48-Y94 HydrophobicContact SD-CE1 3.86Å
49	G	98.6	Very high	98	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-166.1	-171.7	0	0	0	0	0	112.3	H35 W36 W47 T59	H35-G49 WeakPolarHBondContact CA-O 3.37Å; W36-G49 PolarHBondContact N-O 2.8Å; W47-G49 VanDerWaalsContact CE2-CA 3.5Å; W47-G49 VanDerWaalsContact CZ2-C 3.46Å; W47-G49 PolarHBondContact NE1-O 2.87Å; G49-T59 WeakPolarHBondContact CA-O 3.39Å
50	M	98.5	Very high	98	Very high	27 Å²	27	66.6 Å²	66.6	13%	0.133	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	165.1	175.7	64.2	-177	-168	0	0	111.9	P33 M34 H35 W47 Y52 P58 T59	P33-M50 HydrophobicContact CB-CB 4.28Å; P33-M50 HydrophobicContact CB-CG 4.31Å; P33-M50 HydrophobicContact CB-SD 3.76Å; P33-M50 HydrophobicContact CG-CE 4.48Å; P33-M50 HydrophobicContact CG-SD 4.13Å; M34-M50 CarbonylContact O-C 3.56Å; M34-M50 WeakPolarHBondContact O-CA 3.47Å; M34-M50 VanDerWaalsContact O-CB 3.32Å; M34-M50 WeakPolarHBondContact O-CB 3.27Å; H35-M50 HydrophobicContact CB-CB 4.43Å; H35-M50 PolarHBondContact CE1-SD 2.91Å; H35-M50 WeakPolarHBondContact ND1-CB 2.98Å; W47-M50 HydrophobicContact CZ2-CB 4.45Å; W47-M50 HydrophobicContact CZ2-CG 4.28Å; M50-Y52 HydrophobicContact CE-CD2 4.48Å; M50-Y52 HydrophobicContact CE-CE1 3.9Å; M50-Y52 HydrophobicContact CE-CE2 3.66Å; M50-Y52 WeakPolarHBondContact CE-OH 3.35Å; M50-P58 CarbonylContact O-C 3.56Å; M50-P58 WeakPolarHBondContact O-CA 2.97Å; M50-T59 VanDerWaalsContact CG-OG1 3.28Å; M50-T59 WeakPolarHBondContact CG-OG1 3.31Å; M50-T59 PolarHBondContact N-O 3.23Å; M50-T59 PolarHBondContact O-N 3.32Å; M50-T59 PolarHBondContact O-OG1 3.12Å
51	I	98.7	Very high	98	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.6	168.5	-173.7	167.9	0	0	0	109.2	P33 M34 T53 G56 E57 F70 L72	P33-I51 VanDerWaalsContact CA-O 3.26Å; P33-I51 WeakPolarHBondContact CA-O 3.35Å; M34-I51 HydrophobicContact CB-CG2 3.98Å; M34-I51 PolarHBondContact N-O 2.93Å; M34-I51 PolarHBondContact O-N 3.49Å; I51-T53 PolarHBondContact O-N 2.87Å; I51-G56 WeakPolarHBondContact CD1-O 3.23Å; I51-E57 WeakPolarHBondContact CA-O 3.31Å; I51-F70 HydrophobicContact CB-CB 3.99Å; I51-F70 HydrophobicContact CD1-CB 4.27Å; I51-F70 HydrophobicContact CG2-CB 4.35Å; I51-L72 HydrophobicContact CD1-CB 4.37Å; I51-L72 HydrophobicContact CD1-CD2 3.82Å; I51-L72 HydrophobicContact CD1-CG 3.97Å; I51-L72 HydrophobicContact CG1-CD2 4.02Å; I51-L72 HydrophobicContact CG2-CD2 4.49Å
52	Y	98.6	Very high	97.9	Very high	90 Å²	90	68.5 Å²	68.5	35%	0.353	37%	0.372	S	S	.	.			trans	-66.7	119.1	169.9	-71.9	-82.3	0	0	0	108.3	P33 M50 D54 T55 G56 E57 T59	P33-Y52 HydrophobicContact CG-CD1 3.8Å; P33-Y52 HydrophobicContact CG-CE1 4.01Å; M50-Y52 HydrophobicContact CE-CD2 4.48Å; M50-Y52 HydrophobicContact CE-CE1 3.9Å; M50-Y52 HydrophobicContact CE-CE2 3.66Å; M50-Y52 WeakPolarHBondContact CE-OH 3.35Å; Y52-D54 VanDerWaalsContact C-N 3.34Å; Y52-T55 VanDerWaalsContact CB-OG1 3.25Å; Y52-T55 WeakPolarHBondContact CB-OG1 3.36Å; Y52-G56 WeakPolarHBondContact O-CA 3.46Å; Y52-G56 PolarHBondContact O-N 3.14Å; Y52-E57 HydrophobicContact CD2-CB 4.31Å; Y52-E57 WeakPolarHBondContact CD2-O 3.39Å; Y52-E57 PolarHBondContact N-O 3.34Å; Y52-T59 HydrophobicContact CE2-CG2 4.06Å
53	T	98.3	Very high	97.7	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-20.5	-170.5	46.5	0	0	0	0	113.9	F29 T30 Y32 M34 I51 L72	F29-T53 HydrophobicContact CD2-CG2 4.39Å; F29-T53 HydrophobicContact CE1-CG2 4.1Å; F29-T53 HydrophobicContact CE2-CG2 3.97Å; F29-T53 HydrophobicContact CZ-CG2 3.82Å; F29-T53 WeakPolarHBondContact O-CB 3.44Å; F29-T53 WeakPolarHBondContact O-CG2 3.32Å; F29-T53 PolarHBondContact O-OG1 3.01Å; T30-T53 WeakPolarHBondContact CA-OG1 3.15Å; T30-T53 PolarHBondContact O-OG1 3.49Å; Y32-T53 VanDerWaalsContact C-OG1 3.29Å; Y32-T53 VanDerWaalsContact O-CG2 3.3Å; Y32-T53 WeakPolarHBondContact O-CG2 3.36Å; Y32-T53 PolarHBondContact O-OG1 2.72Å; M34-T53 HydrophobicContact CB-CG2 4.26Å; I51-T53 PolarHBondContact O-N 2.87Å; T53-L72 HydrophobicContact CG2-CD2 4.32Å
54	D	97.5	Very high	97.7	Very high	109 Å²	109	63.2 Å²	63.2	58%	0.583	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-39	175.4	57.1	-27.9	0	0	0	112.4	Y52	Y52-D54 VanDerWaalsContact C-N 3.34Å
55	T	97.9	Very high	97.5	Very high	82 Å²	82	67 Å²	67	50%	0.503	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-21.3	-178.7	66.3	0	0	0	0	114	Y52 E57	Y52-T55 VanDerWaalsContact CB-OG1 3.25Å; Y52-T55 WeakPolarHBondContact CB-OG1 3.36Å; T55-E57 PolarHBondContact O-N 3.32Å; T55-E57 WeakPolarHBondContact OG1-CB 3.4Å; T55-E57 WeakPolarHBondContact OG1-CG 3.28Å; T55-E57 PolarHBondContact OG1-N 2.86Å
56	G	97.9	Very high	97.3	Very high	29 Å²	29	64.1 Å²	64.1	30%	0.299	34%	0.335	S	S	.	.			trans	75.9	7.1	-171.6	0	0	0	0	0	114.1	I51 Y52 P58	I51-G56 WeakPolarHBondContact CD1-O 3.23Å; Y52-G56 WeakPolarHBondContact O-CA 3.46Å; Y52-G56 PolarHBondContact O-N 3.14Å; G56-P58 WeakPolarHBondContact O-CD 3.49Å
57	E	98.2	Very high	97	Very high	125 Å²	125	62.2 Å²	62.2	58%	0.584	33%	0.326	S	S	*	.			trans	-78.6	123.2	-177.3	-68.6	-177	162.3	0	0	111.6	I51 Y52 T55	I51-E57 WeakPolarHBondContact CA-O 3.31Å; Y52-E57 HydrophobicContact CD2-CB 4.31Å; Y52-E57 WeakPolarHBondContact CD2-O 3.39Å; Y52-E57 PolarHBondContact N-O 3.34Å; T55-E57 PolarHBondContact O-N 3.32Å; T55-E57 WeakPolarHBondContact OG1-CB 3.4Å; T55-E57 WeakPolarHBondContact OG1-CG 3.28Å; T55-E57 PolarHBondContact OG1-N 2.86Å
58	P	98.4	Very high	97	Very high	55 Å²	55	56.8 Å²	56.8	36%	0.357	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.3	177.7	36.6	-34.2	0	0	0	112.3	M50 G56 Y60 F70	M50-P58 CarbonylContact O-C 3.56Å; M50-P58 WeakPolarHBondContact O-CA 2.97Å; G56-P58 WeakPolarHBondContact O-CD 3.49Å; P58-Y60 HydrophobicContact CB-CE2 3.79Å; P58-Y60 WeakPolarHBondContact CB-OH 3.3Å; P58-Y60 HydrophobicContact CG-CE2 3.87Å; P58-Y60 WeakPolarHBondContact CG-OH 3.21Å; P58-F70 HydrophobicContact CB-CB 4.08Å; P58-F70 HydrophobicContact CB-CD2 4.06Å
59	T	98	Very high	97	Very high	50 Å²	50	58.4 Å²	58.4	31%	0.307	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.1	169.6	60.6	0	0	0	0	109.2	G49 M50 Y52 F70	G49-T59 WeakPolarHBondContact CA-O 3.39Å; M50-T59 VanDerWaalsContact CG-OG1 3.28Å; M50-T59 WeakPolarHBondContact CG-OG1 3.31Å; M50-T59 PolarHBondContact N-O 3.23Å; M50-T59 PolarHBondContact O-N 3.32Å; M50-T59 PolarHBondContact O-OG1 3.12Å; Y52-T59 HydrophobicContact CE2-CG2 4.06Å; T59-F70 VanDerWaalsContact O-CE2 3.31Å; T59-F70 WeakPolarHBondContact O-CE2 3.48Å
60	Y	98.5	Very high	97	Very high	61 Å²	61	58.9 Å²	58.9	24%	0.239	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.3	-175.8	-55.8	-86.8	0	0	0	110.1	M48 P58 F68 A69 F70	M48-Y60 WeakPolarHBondContact O-CA 3.42Å; P58-Y60 HydrophobicContact CB-CE2 3.79Å; P58-Y60 WeakPolarHBondContact CB-OH 3.3Å; P58-Y60 HydrophobicContact CG-CE2 3.87Å; P58-Y60 WeakPolarHBondContact CG-OH 3.21Å; Y60-F68 VanDerWaalsContact CE1-O 3.3Å; Y60-F68 WeakPolarHBondContact CE1-O 3.38Å; Y60-A69 WeakPolarHBondContact OH-CA 3.34Å; Y60-F70 HydrophobicContact CD1-CD2 4.1Å; Y60-F70 HydrophobicContact CD1-CE1 4.47Å; Y60-F70 AromaticContact CD1-CE2 3.58Å; Y60-F70 HydrophobicContact CD1-CE2 3.58Å; Y60-F70 AromaticContact CD1-CZ 3.79Å; Y60-F70 HydrophobicContact CD1-CZ 3.79Å; Y60-F70 HydrophobicContact CE1-CD1 4.17Å; Y60-F70 AromaticContact CE1-CD2 3.59Å; Y60-F70 HydrophobicContact CE1-CD2 3.59Å; Y60-F70 HydrophobicContact CE1-CE1 4.12Å; Y60-F70 AromaticContact CE1-CE2 3.52Å; Y60-F70 HydrophobicContact CE1-CE2 3.52Å; Y60-F70 AromaticContact CE1-CG 3.91Å; Y60-F70 HydrophobicContact CE1-CG 3.91Å; Y60-F70 AromaticContact CE1-CZ 3.81Å; Y60-F70 HydrophobicContact CE1-CZ 3.81Å; Y60-F70 HydrophobicContact CG-CE2 4.47Å; Y60-F70 PolarHBondContact OH-N 3.01Å
61	A	98	Very high	97	Very high	25 Å²	25	59.7 Å²	59.7	21%	0.207	33%	0.329	C	S	.	.			trans	-67.3	145.8	158.1	0	0	0	0	0	109.5	W47 M48 E63 F64 K65	W47-A61 HydrophobicContact CE3-CB 3.98Å; W47-A61 HydrophobicContact CZ3-CB 4.08Å; M48-A61 PolarHBondContact O-N 2.8Å; A61-E63 PolarHBondContact O-N 2.97Å; A61-E63 VanDerWaalsContact O-N 3.11Å; A61-F64 HydrophobicContact CB-CD2 4.11Å; A61-F64 PolarHBondContact O-N 3.08Å; A61-K65 PolarHBondContact O-N 2.89Å
62	E	95.8	Very high	97	Very high	149 Å²	149	61.6 Å²	61.6	70%	0.696	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-51.4	-39.4	-172.9	-73.6	-64	151.2	0	0	113.3	F64 K65	E62-F64 PolarHBondContact O-N 2.81Å; E62-F64 VanDerWaalsContact O-N 3.17Å; E62-K65 PolarHBondContact O-N 2.01Å
63	E	92.8	Very high	97	Very high	119 Å²	119	61.6 Å²	61.6	56%	0.556	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-60	-27	178.7	-173.9	179.6	164.4	0	0	113.6	K46 A61	K46-E63 IonicContact NZ-OE1 3.08Å; K46-E63 PolarHBondContact NZ-OE1 3.17Å; K46-E63 IonicContact NZ-OE2 3.88Å; K46-E63 PolarHBondContact NZ-OE2 3.11Å; A61-E63 PolarHBondContact O-N 2.97Å; A61-E63 VanDerWaalsContact O-N 3.11Å
64	F	95.2	Very high	96.9	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-107	-2.2	-174	-58	-80.9	0	0	0	113.3	K38 K46 M48 A61 E62 F68	K38-F64 HydrophobicContact CB-CE1 4.26Å; K38-F64 HydrophobicContact CB-CZ 4.33Å; K38-F64 HydrophobicContact CD-CE1 3.77Å; K38-F64 HydrophobicContact CD-CZ 4.32Å; K46-F64 HydrophobicContact CB-CE2 4.31Å; K46-F64 HydrophobicContact CB-CZ 4Å; K46-F64 HydrophobicContact CD-CZ 4.21Å; M48-F64 HydrophobicContact CB-CB 4.41Å; M48-F64 HydrophobicContact CB-CD1 4.3Å; M48-F64 HydrophobicContact CB-CD2 3.96Å; M48-F64 HydrophobicContact CB-CE2 4.27Å; M48-F64 HydrophobicContact CB-CG 3.95Å; M48-F64 HydrophobicContact CE-CD1 3.76Å; M48-F64 HydrophobicContact CE-CE1 4.2Å; M48-F64 HydrophobicContact CE-CG 4.32Å; M48-F64 HydrophobicContact CG-CD1 3.91Å; M48-F64 HydrophobicContact CG-CD2 4.08Å; M48-F64 HydrophobicContact CG-CE1 3.82Å; M48-F64 HydrophobicContact CG-CE2 3.97Å; M48-F64 HydrophobicContact CG-CG 4.04Å; M48-F64 HydrophobicContact CG-CZ 3.84Å; A61-F64 HydrophobicContact CB-CD2 4.11Å; A61-F64 PolarHBondContact O-N 3.08Å; E62-F64 PolarHBondContact O-N 2.81Å; E62-F64 VanDerWaalsContact O-N 3.17Å; F64-F68 HydrophobicContact CB-CB 4.48Å; F64-F68 HydrophobicContact CB-CD2 3.82Å; F64-F68 HydrophobicContact CB-CE2 4.37Å; F64-F68 HydrophobicContact CB-CG 4.27Å; F64-F68 AromaticContact CD1-CD2 3.87Å; F64-F68 HydrophobicContact CD1-CD2 3.87Å; F64-F68 HydrophobicContact CD1-CE1 4.41Å; F64-F68 AromaticContact CD1-CE2 3.64Å; F64-F68 HydrophobicContact CD1-CE2 3.64Å; F64-F68 HydrophobicContact CD1-CG 4.35Å; F64-F68 AromaticContact CD1-CZ 3.94Å; F64-F68 HydrophobicContact CD1-CZ 3.94Å; F64-F68 HydrophobicContact CE1-CE2 4.5Å; F64-F68 HydrophobicContact CE1-CZ 4.46Å; F64-F68 HydrophobicContact CG-CD2 4.36Å; F64-F68 HydrophobicContact CG-CE2 4.48Å; F64-F68 WeakPolarHBondContact O-CB 3.4Å; F64-F68 VanDerWaalsContact O-CD2 3.27Å; F64-F68 WeakPolarHBondContact O-CD2 3.35Å
65	K	93.6	Very high	96.9	Very high	133 Å²	133	65 Å²	65	58%	0.578	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	140.8	-179.6	-163.6	171.9	-178.1	176.4	0	110.9	A61 E62 R67	A61-K65 PolarHBondContact O-N 2.89Å; E62-K65 PolarHBondContact O-N 2.01Å; K65-R67 PolarHBondContact O-N 2.84Å
66	G	93.3	Very high	96.9	Very high	74 Å²	74	62.6 Å²	62.6	76%	0.763	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-36.5	172	0	0	0	0	0	116.6
67	R	93.5	Very high	96.9	Very high	53 Å²	53	63 Å²	63	20%	0.2	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-31.9	176.7	-63.3	-164.2	-56.4	108.6	-6.6	114	K65 N84 E89 D90	K65-R67 PolarHBondContact O-N 2.84Å; R67-N84 PolarHBondContact O-N 2.76Å; R67-N84 PolarHBondContact O-ND2 2.9Å; R67-E89 IonicContact NH2-OE1 2.72Å; R67-D90 IonicContact CZ-OD1 3.54Å; R67-D90 IonicContact CZ-OD2 3.57Å; R67-D90 IonicContact NH1-OD1 3.33Å; R67-D90 PolarHBondContact NH1-OD1 2.81Å; R67-D90 IonicContact NH1-OD2 2.72Å; R67-D90 PolarHBondContact NH1-OD2 3.09Å; R67-D90 IonicContact NH2-OD1 2.8Å; R67-D90 PolarHBondContact NH2-OD1 3.18Å; R67-D90 IonicContact NH2-OD2 3.57Å
68	F	97.4	Very high	96.9	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.8	-178.6	-58.9	-96.4	0	0	0	109.3	M48 Y60 F64 L81 Q82 I83 D90 Y94	M48-F68 HydrophobicContact CE-CB 4.3Å; M48-F68 HydrophobicContact CE-CD1 3.3Å; M48-F68 HydrophobicContact CE-CE1 3.67Å; M48-F68 HydrophobicContact CE-CG 3.84Å; M48-F68 HydrophobicContact CE-CZ 4.47Å; Y60-F68 VanDerWaalsContact CE1-O 3.3Å; Y60-F68 WeakPolarHBondContact CE1-O 3.38Å; F64-F68 HydrophobicContact CB-CB 4.48Å; F64-F68 HydrophobicContact CB-CD2 3.82Å; F64-F68 HydrophobicContact CB-CE2 4.37Å; F64-F68 HydrophobicContact CB-CG 4.27Å; F64-F68 AromaticContact CD1-CD2 3.87Å; F64-F68 HydrophobicContact CD1-CD2 3.87Å; F64-F68 HydrophobicContact CD1-CE1 4.41Å; F64-F68 AromaticContact CD1-CE2 3.64Å; F64-F68 HydrophobicContact CD1-CE2 3.64Å; F64-F68 HydrophobicContact CD1-CG 4.35Å; F64-F68 AromaticContact CD1-CZ 3.94Å; F64-F68 HydrophobicContact CD1-CZ 3.94Å; F64-F68 HydrophobicContact CE1-CE2 4.5Å; F64-F68 HydrophobicContact CE1-CZ 4.46Å; F64-F68 HydrophobicContact CG-CD2 4.36Å; F64-F68 HydrophobicContact CG-CE2 4.48Å; F64-F68 WeakPolarHBondContact O-CB 3.4Å; F64-F68 VanDerWaalsContact O-CD2 3.27Å; F64-F68 WeakPolarHBondContact O-CD2 3.35Å; F68-L81 HydrophobicContact CB-CD1 4.27Å; F68-L81 HydrophobicContact CD1-CD1 4.09Å; F68-Q82 CarbonylContact C-O 3.56Å; F68-Q82 WeakPolarHBondContact CA-O 3.49Å; F68-I83 HydrophobicContact CD1-CB 4.2Å; F68-I83 HydrophobicContact CD1-CD1 4.21Å; F68-I83 HydrophobicContact CD1-CG1 3.69Å; F68-I83 HydrophobicContact CD1-CG2 3.9Å; F68-I83 HydrophobicContact CE1-CB 4.18Å; F68-I83 HydrophobicContact CE1-CD1 3.78Å; F68-I83 HydrophobicContact CE1-CG1 3.73Å; F68-I83 HydrophobicContact CE1-CG2 3.54Å; F68-I83 HydrophobicContact CZ-CG2 4.02Å; F68-D90 WeakPolarHBondContact CZ-OD1 3.47Å; F68-Y94 HydrophobicContact CE1-CE1 4Å
69	A	98.4	Very high	97	Very high	33 Å²	33	54.9 Å²	54.9	27%	0.273	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.5	176.9	0	0	0	0	0	110.1	Y60 Q82	Y60-A69 WeakPolarHBondContact OH-CA 3.34Å; A69-Q82 HydrophobicContact CB-CB 4.4Å; A69-Q82 PolarHBondContact N-O 2.88Å; A69-Q82 PolarHBondContact O-N 2.83Å
70	F	98.7	Very high	97	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.7	168.9	-47.1	-37.5	0	0	0	109.6	W36 M48 I51 P58 T59 Y60 Y80 L81	W36-F70 HydrophobicContact CB-CD1 4.41Å; W36-F70 HydrophobicContact CB-CE1 3.72Å; W36-F70 HydrophobicContact CB-CZ 3.91Å; W36-F70 AromaticContact CD1-CD1 3.32Å; W36-F70 AromaticContact CD1-CE1 3.51Å; W36-F70 AromaticContact CD1-CG 3.68Å; W36-F70 AromaticContact CG-CD1 3.93Å; W36-F70 HydrophobicContact CG-CD1 3.93Å; W36-F70 AromaticContact CG-CE1 3.73Å; W36-F70 HydrophobicContact CG-CE1 3.73Å; W36-F70 HydrophobicContact CG-CZ 4.26Å; W36-F70 AromaticContact NE1-CD1 3.8Å; M48-F70 HydrophobicContact CB-CZ 3.98Å; M48-F70 HydrophobicContact CE-CE1 4.49Å; I51-F70 HydrophobicContact CB-CB 3.99Å; I51-F70 HydrophobicContact CD1-CB 4.27Å; I51-F70 HydrophobicContact CG2-CB 4.35Å; P58-F70 HydrophobicContact CB-CB 4.08Å; P58-F70 HydrophobicContact CB-CD2 4.06Å; T59-F70 VanDerWaalsContact O-CE2 3.31Å; T59-F70 WeakPolarHBondContact O-CE2 3.48Å; Y60-F70 HydrophobicContact CD1-CD2 4.1Å; Y60-F70 HydrophobicContact CD1-CE1 4.47Å; Y60-F70 AromaticContact CD1-CE2 3.58Å; Y60-F70 HydrophobicContact CD1-CE2 3.58Å; Y60-F70 AromaticContact CD1-CZ 3.79Å; Y60-F70 HydrophobicContact CD1-CZ 3.79Å; Y60-F70 HydrophobicContact CE1-CD1 4.17Å; Y60-F70 AromaticContact CE1-CD2 3.59Å; Y60-F70 HydrophobicContact CE1-CD2 3.59Å; Y60-F70 HydrophobicContact CE1-CE1 4.12Å; Y60-F70 AromaticContact CE1-CE2 3.52Å; Y60-F70 HydrophobicContact CE1-CE2 3.52Å; Y60-F70 AromaticContact CE1-CG 3.91Å; Y60-F70 HydrophobicContact CE1-CG 3.91Å; Y60-F70 AromaticContact CE1-CZ 3.81Å; Y60-F70 HydrophobicContact CE1-CZ 3.81Å; Y60-F70 HydrophobicContact CG-CE2 4.47Å; Y60-F70 PolarHBondContact OH-N 3.01Å; F70-Y80 WeakPolarHBondContact CA-O 3.26Å; F70-L81 HydrophobicContact CD1-CD1 3.76Å; F70-L81 HydrophobicContact CE1-CD1 3.6Å
71	S	98.5	Very high	97	Very high	44 Å²	44	51.7 Å²	51.7	31%	0.308	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	173.4	172	51.9	0	0	0	0	109.5	A79 Y80	S71-A79 CarbonylContact O-C 3.58Å; S71-A79 WeakPolarHBondContact O-CA 3.46Å; S71-Y80 PolarHBondContact N-O 3.4Å; S71-Y80 PolarHBondContact O-N 2.8Å
72	L	98.6	Very high	97	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	164.8	178.4	60.3	77.1	0	0	0	112	F29 I51 T53 T74 T78	F29-L72 HydrophobicContact CE1-CB 4.34Å; F29-L72 HydrophobicContact CE1-CD2 4.33Å; F29-L72 HydrophobicContact CZ-CB 4.33Å; I51-L72 HydrophobicContact CD1-CB 4.37Å; I51-L72 HydrophobicContact CD1-CD2 3.82Å; I51-L72 HydrophobicContact CD1-CG 3.97Å; I51-L72 HydrophobicContact CG1-CD2 4.02Å; I51-L72 HydrophobicContact CG2-CD2 4.49Å; T53-L72 HydrophobicContact CG2-CD2 4.32Å; L72-T74 WeakPolarHBondContact CD1-OG1 3.5Å; L72-T78 CarbonylContact C-O 3.56Å; L72-T78 VanDerWaalsContact CA-O 3.28Å; L72-T78 WeakPolarHBondContact CA-O 3.3Å
73	E	98.3	Very high	97.1	Very high	91 Å²	91	46.3 Å²	46.3	43%	0.425	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	100.2	168.1	-178.2	175.5	-164.8	0	0	108	S75 A76 S77 T78 Y80	E73-S75 PolarHBondContact O-N 2.8Å; E73-A76 HydrophobicContact CB-CB 4.21Å; E73-A76 HydrophobicContact CG-CB 3.79Å; E73-A76 CarbonylContact O-C 3.52Å; E73-A76 PolarHBondContact O-N 3.47Å; E73-A76 VanDerWaalsContact O-N 3.17Å; E73-S77 PolarHBondContact O-N 2.97Å; E73-S77 VanDerWaalsContact O-N 3.09Å; E73-T78 PolarHBondContact N-O 3.31Å; E73-T78 PolarHBondContact O-N 2.86Å; E73-Y80 HydrophobicContact CB-CE2 4.01Å; E73-Y80 PolarHBondContact OE2-OH 2.92Å
74	T	97.4	Very high	97.3	Very high	68 Å²	68	43.1 Å²	43.1	42%	0.417	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61.8	-42.1	-171.9	-50.2	0	0	0	0	112.5	F29 T30 L72 A76 S77	F29-T74 HydrophobicContact CD1-CG2 4.47Å; T30-T74 HydrophobicContact CG2-CG2 3.42Å; T30-T74 VanDerWaalsContact CG2-CG2 3.42Å; L72-T74 WeakPolarHBondContact CD1-OG1 3.5Å; T74-A76 PolarHBondContact O-N 2.92Å; T74-S77 PolarHBondContact O-N 3Å
75	S	96.7	Very high	97.3	Very high	111 Å²	111	47.6 Å²	47.6	78%	0.776	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.8	-32	177.7	51.4	0	0	0	0	112.8	E73	E73-S75 PolarHBondContact O-N 2.8Å
76	A	97.9	Very high	97.4	Very high	32 Å²	32	42.5 Å²	42.5	26%	0.264	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-93.2	-1.8	177.6	0	0	0	0	0	113.4	E73 T74 T78	E73-A76 HydrophobicContact CB-CB 4.21Å; E73-A76 HydrophobicContact CG-CB 3.79Å; E73-A76 CarbonylContact O-C 3.52Å; E73-A76 PolarHBondContact O-N 3.47Å; E73-A76 VanDerWaalsContact O-N 3.17Å; T74-A76 PolarHBondContact O-N 2.92Å; A76-T78 PolarHBondContact O-N 2.89Å; A76-T78 PolarHBondContact O-OG1 3.06Å
77	S	98.2	Very high	97.6	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	42.2	-172.5	-60.2	0	0	0	0	112.5	A24 E73 T74	A24-S77 PolarHBondContact N-O 2.72Å; A24-S77 WeakPolarHBondContact O-CB 3.43Å; E73-S77 PolarHBondContact O-N 2.97Å; E73-S77 VanDerWaalsContact O-N 3.09Å; T74-S77 PolarHBondContact O-N 3Å
78	T	98.8	Very high	97.7	Very high	10 Å²	10	46.8 Å²	46.8	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.8	-172.4	-59.6	0	0	0	0	110.6	C22 L72 E73 A76 Y80	C22-T78 CarbonylContact O-C 3.57Å; C22-T78 WeakPolarHBondContact O-CA 3.44Å; L72-T78 CarbonylContact C-O 3.56Å; L72-T78 VanDerWaalsContact CA-O 3.28Å; L72-T78 WeakPolarHBondContact CA-O 3.3Å; E73-T78 PolarHBondContact N-O 3.31Å; E73-T78 PolarHBondContact O-N 2.86Å; A76-T78 PolarHBondContact O-N 2.89Å; A76-T78 PolarHBondContact O-OG1 3.06Å; T78-Y80 HydrophobicContact CG2-CD1 4.36Å; T78-Y80 HydrophobicContact CG2-CE1 3.71Å; T78-Y80 HydrophobicContact CG2-CE2 3.98Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.49Å
79	A	98.8	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	155.5	170.2	0	0	0	0	0	110.5	S21 C22 F29 M34 W36 S71	S21-A79 CarbonylContact C-O 3.58Å; C22-A79 PolarHBondContact N-O 2.91Å; C22-A79 PolarHBondContact O-N 3.16Å; F29-A79 HydrophobicContact CZ-CB 4.29Å; M34-A79 HydrophobicContact CB-CB 4.16Å; M34-A79 HydrophobicContact CG-CB 3.76Å; W36-A79 HydrophobicContact CZ2-CB 4.2Å; S71-A79 CarbonylContact O-C 3.58Å; S71-A79 WeakPolarHBondContact O-CA 3.46Å
80	Y	98.8	Very high	97.5	Very high	43 Å²	43	50.8 Å²	50.8	17%	0.169	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.3	-179.1	-55.3	-85.1	0	0	0	111.5	K19 I20 F70 S71 E73 T78	K19-Y80 HydrophobicContact CD-CD1 4.4Å; K19-Y80 VanDerWaalsContact CE-CD1 3.43Å; K19-Y80 VanDerWaalsContact CE-CG 3.47Å; K19-Y80 HydrophobicContact CG-CD1 4.36Å; I20-Y80 CarbonylContact O-C 3.57Å; I20-Y80 VanDerWaalsContact O-CA 3.23Å; I20-Y80 WeakPolarHBondContact O-CA 3.39Å; F70-Y80 WeakPolarHBondContact CA-O 3.26Å; S71-Y80 PolarHBondContact N-O 3.4Å; S71-Y80 PolarHBondContact O-N 2.8Å; E73-Y80 HydrophobicContact CB-CE2 4.01Å; E73-Y80 PolarHBondContact OE2-OH 2.92Å; T78-Y80 HydrophobicContact CG2-CD1 4.36Å; T78-Y80 HydrophobicContact CG2-CE1 3.71Å; T78-Y80 HydrophobicContact CG2-CE2 3.98Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.49Å
81	L	98.8	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.9	166.1	168.3	56.5	0	0	0	108.6	K19 I20 W36 M48 F68 F70 I83 Y94	K19-L81 CarbonylContact C-O 3.56Å; K19-L81 WeakPolarHBondContact CA-O 3.5Å; I20-L81 HydrophobicContact CB-CB 4.35Å; I20-L81 HydrophobicContact CD1-CD2 4.4Å; I20-L81 PolarHBondContact N-O 2.78Å; I20-L81 PolarHBondContact O-N 2.93Å; W36-L81 HydrophobicContact CD2-CB 3.78Å; W36-L81 HydrophobicContact CD2-CD2 4.25Å; W36-L81 HydrophobicContact CE3-CB 3.79Å; W36-L81 HydrophobicContact CE3-CD2 3.87Å; W36-L81 HydrophobicContact CE3-CG 4.48Å; W36-L81 HydrophobicContact CG-CB 4.47Å; W36-L81 HydrophobicContact CH2-CB 3.83Å; W36-L81 HydrophobicContact CZ2-CB 3.83Å; W36-L81 HydrophobicContact CZ3-CB 3.81Å; W36-L81 HydrophobicContact CZ3-CD2 4.34Å; M48-L81 HydrophobicContact CE-CD1 4.05Å; M48-L81 HydrophobicContact CE-CD2 3.95Å; M48-L81 HydrophobicContact SD-CD2 4.18Å; F68-L81 HydrophobicContact CB-CD1 4.27Å; F68-L81 HydrophobicContact CD1-CD1 4.09Å; F70-L81 HydrophobicContact CD1-CD1 3.76Å; F70-L81 HydrophobicContact CE1-CD1 3.6Å; L81-I83 HydrophobicContact CD1-CG1 4.4Å; L81-I83 HydrophobicContact CG-CG1 4.24Å; L81-Y94 HydrophobicContact CD2-CD1 3.41Å; L81-Y94 VanDerWaalsContact CD2-CD1 3.41Å; L81-Y94 HydrophobicContact CD2-CE1 4.11Å; L81-Y94 HydrophobicContact CD2-CG 3.86Å
82	Q	98.5	Very high	97.4	Very high	60 Å²	60	54.1 Å²	54.1	28%	0.28	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134	171	-175.3	172.7	-47.2	0	0	110	T17 V18 F68 A69 N84	T17-Q82 HydrophobicContact CG2-CG 3.55Å; V18-Q82 WeakPolarHBondContact O-CA 3.48Å; F68-Q82 CarbonylContact C-O 3.56Å; F68-Q82 WeakPolarHBondContact CA-O 3.49Å; A69-Q82 HydrophobicContact CB-CB 4.4Å; A69-Q82 PolarHBondContact N-O 2.88Å; A69-Q82 PolarHBondContact O-N 2.83Å; Q82-N84 PolarHBondContact NE2-OD1 2.85Å
83	I	97.8	Very high	97.4	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115	175.4	-42.5	176.2	0	0	0	107	T17 V18 F68 L81 L86 Y94	T17-I83 WeakPolarHBondContact CA-O 3.37Å; V18-I83 HydrophobicContact CG1-CB 3.69Å; V18-I83 HydrophobicContact CG1-CD1 3.74Å; V18-I83 HydrophobicContact CG1-CG1 3.81Å; V18-I83 PolarHBondContact N-O 2.79Å; V18-I83 VanDerWaalsContact N-O 3.12Å; V18-I83 PolarHBondContact O-N 2.88Å; F68-I83 HydrophobicContact CD1-CB 4.2Å; F68-I83 HydrophobicContact CD1-CD1 4.21Å; F68-I83 HydrophobicContact CD1-CG1 3.69Å; F68-I83 HydrophobicContact CD1-CG2 3.9Å; F68-I83 HydrophobicContact CE1-CB 4.18Å; F68-I83 HydrophobicContact CE1-CD1 3.78Å; F68-I83 HydrophobicContact CE1-CG1 3.73Å; F68-I83 HydrophobicContact CE1-CG2 3.54Å; F68-I83 HydrophobicContact CZ-CG2 4.02Å; L81-I83 HydrophobicContact CD1-CG1 4.4Å; L81-I83 HydrophobicContact CG-CG1 4.24Å; I83-L86 HydrophobicContact CB-CD1 4.36Å; I83-L86 HydrophobicContact CG2-CD1 3.96Å; I83-Y94 HydrophobicContact CD1-CD1 4.46Å; I83-Y94 HydrophobicContact CD1-CD2 4.33Å; I83-Y94 HydrophobicContact CD1-CE1 3.82Å; I83-Y94 HydrophobicContact CD1-CE2 3.69Å; I83-Y94 WeakPolarHBondContact CD1-OH 3.15Å
84	N	95.4	Very high	97.4	Very high	53 Å²	53	52.4 Å²	52.4	28%	0.283	30%	0.295	S	S	.	.			trans	-94.4	150.5	178.9	-60.2	-58.3	0	0	0	110.9	T17 R67 Q82	T17-N84 PolarHBondContact OG1-OD1 3.16Å; R67-N84 PolarHBondContact O-N 2.76Å; R67-N84 PolarHBondContact O-ND2 2.9Å; Q82-N84 PolarHBondContact NE2-OD1 2.85Å
85	N	96.2	Very high	97.4	Very high	99 Å²	99	52.4 Å²	52.4	53%	0.529	29%	0.29	S	S	.	.	S	Bend	trans	50.8	59.6	177.7	-173	29	0	0	0	111	K87	N85-K87 PolarHBondContact O-N 2.94Å
86	L	96.5	Very high	97.5	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.136	26%	0.256	C	S	.	.			trans	-55.3	137.6	-171.6	-168.3	70.1	0	0	0	111.4	K12 P14 G15 E16 V18 I83 D90	K12-L86 HydrophobicContact CB-CD2 3.8Å; P14-L86 CarbonylContact C-O 3.49Å; P14-L86 VanDerWaalsContact CA-O 3.25Å; P14-L86 WeakPolarHBondContact CA-O 3.02Å; G15-L86 PolarHBondContact N-O 2.83Å; E16-L86 VanDerWaalsContact O-CB 3.26Å; E16-L86 WeakPolarHBondContact O-CB 3.25Å; E16-L86 PolarHBondContact O-N 2.96Å; V18-L86 HydrophobicContact CG1-CD1 4.06Å; I83-L86 HydrophobicContact CB-CD1 4.36Å; I83-L86 HydrophobicContact CG2-CD1 3.96Å; L86-D90 HydrophobicContact CD1-CB 3.51Å; L86-D90 HydrophobicContact CG-CB 4.38Å
87	K	96.5	Very high	97.5	Very high	88 Å²	88	49.1 Å²	49.1	38%	0.383	26%	0.262	S	S	.	.			trans	-118.3	161.9	176.2	-60.4	175	180	-175.8	0	110.9	N85 E89 D90	N85-K87 PolarHBondContact O-N 2.94Å; K87-E89 HydrophobicContact CB-CG 3.66Å; K87-E89 HydrophobicContact CD-CG 3.97Å; K87-E89 WeakPolarHBondContact CD-OE1 3.28Å; K87-E89 IonicContact NZ-OE1 2.72Å; K87-E89 PolarHBondContact NZ-OE1 3.23Å; K87-E89 VanDerWaalsContact NZ-OE1 3.08Å; K87-E89 PolarHBondContact O-N 3.34Å; K87-E89 VanDerWaalsContact O-N 3.16Å; K87-D90 PolarHBondContact N-OD2 3.01Å; K87-D90 VanDerWaalsContact O-CB 3.32Å; K87-D90 WeakPolarHBondContact O-CB 3.38Å; K87-D90 PolarHBondContact O-N 3.29Å
88	N	95.6	Very high	97.3	Very high	128 Å²	128	51.4 Å²	51.4	68%	0.684	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-55.5	-36	175.1	-66.4	-15.9	0	0	0	112.2	P14 D90 T91	P14-N88 WeakPolarHBondContact CG-OD1 3.43Å; N88-D90 PolarHBondContact O-N 3.24Å; N88-T91 WeakPolarHBondContact O-CB 3.34Å; N88-T91 PolarHBondContact O-N 3.42Å; N88-T91 VanDerWaalsContact O-N 3.16Å; N88-T91 PolarHBondContact O-OG1 3.24Å
89	E	94.4	Very high	97.2	Very high	119 Å²	119	53.5 Å²	53.5	56%	0.556	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65.6	-13	176.5	60.1	-177.9	-166.8	0	0	114.5	K38 R67 K87 T91	K38-E89 PolarHBondContact NZ-O 2.92Å; R67-E89 IonicContact NH2-OE1 2.72Å; K87-E89 HydrophobicContact CB-CG 3.66Å; K87-E89 HydrophobicContact CD-CG 3.97Å; K87-E89 WeakPolarHBondContact CD-OE1 3.28Å; K87-E89 IonicContact NZ-OE1 2.72Å; K87-E89 PolarHBondContact NZ-OE1 3.23Å; K87-E89 VanDerWaalsContact NZ-OE1 3.08Å; K87-E89 PolarHBondContact O-N 3.34Å; K87-E89 VanDerWaalsContact O-N 3.16Å; E89-T91 VanDerWaalsContact C-N 3.29Å
90	D	96.7	Very high	97.1	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.027	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-85.1	-1.6	175.3	-60.8	-40.9	0	0	0	112.9	K38 R67 F68 L86 K87 N88 A92 Y94	K38-D90 IonicContact NZ-OD1 3.75Å; R67-D90 IonicContact CZ-OD1 3.54Å; R67-D90 IonicContact CZ-OD2 3.57Å; R67-D90 IonicContact NH1-OD1 3.33Å; R67-D90 PolarHBondContact NH1-OD1 2.81Å; R67-D90 IonicContact NH1-OD2 2.72Å; R67-D90 PolarHBondContact NH1-OD2 3.09Å; R67-D90 IonicContact NH2-OD1 2.8Å; R67-D90 PolarHBondContact NH2-OD1 3.18Å; R67-D90 IonicContact NH2-OD2 3.57Å; F68-D90 WeakPolarHBondContact CZ-OD1 3.47Å; L86-D90 HydrophobicContact CD1-CB 3.51Å; L86-D90 HydrophobicContact CG-CB 4.38Å; K87-D90 PolarHBondContact N-OD2 3.01Å; K87-D90 VanDerWaalsContact O-CB 3.32Å; K87-D90 WeakPolarHBondContact O-CB 3.38Å; K87-D90 PolarHBondContact O-N 3.29Å; N88-D90 PolarHBondContact O-N 3.24Å; D90-A92 PolarHBondContact O-N 3.02Å; D90-Y94 WeakPolarHBondContact O-CE2 3.2Å; D90-Y94 PolarHBondContact O-OH 3.25Å
91	T	97.4	Very high	97	Very high	99 Å²	99	57.1 Å²	57.1	61%	0.607	30%	0.296	S	S	*	.			trans	-64.2	105.5	172.5	-53	0	0	0	0	110.1	N88 E89	N88-T91 WeakPolarHBondContact O-CB 3.34Å; N88-T91 PolarHBondContact O-N 3.42Å; N88-T91 VanDerWaalsContact O-N 3.16Å; N88-T91 PolarHBondContact O-OG1 3.24Å; E89-T91 VanDerWaalsContact C-N 3.29Å
92	A	97.9	Very high	96.9	Very high	26 Å²	26	60.4 Å²	60.4	22%	0.215	31%	0.313	C	S	.	.	S	Bend	trans	-163.3	164.6	-175.8	0	0	0	0	0	110.6	K38 Q39 A40 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.13Å; K38-A92 HydrophobicContact CG-CB 3.53Å; Q39-A92 WeakPolarHBondContact O-CA 3.47Å; Q39-A92 VanDerWaalsContact O-CB 3.31Å; Q39-A92 WeakPolarHBondContact O-CB 3.45Å; A40-A92 HydrophobicContact CB-CB 4.39Å; D90-A92 PolarHBondContact O-N 3.02Å; A92-Y94 HydrophobicContact CB-CD2 4.45Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å
93	T	98.2	Very high	96.8	Very high	78 Å²	78	60.4 Å²	60.4	48%	0.479	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.3	159.6	-50.3	0	0	0	0	108.5	Q39 F95	Q39-T93 PolarHBondContact N-O 2.99Å; Q39-T93 PolarHBondContact O-N 3.04Å; T93-F95 HydrophobicContact CG2-CD1 4.33Å; T93-F95 HydrophobicContact CG2-CD2 4.22Å; T93-F95 HydrophobicContact CG2-CE1 3.67Å; T93-F95 HydrophobicContact CG2-CE2 3.54Å; T93-F95 HydrophobicContact CG2-CZ 3.24Å
94	Y	98.4	Very high	96.8	Very high	16 Å²	16	64.4 Å²	64.4	6%	0.063	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.7	176.4	-66.4	-91.1	0	0	0	108.1	Q6 I20 V37 K38 M48 F68 L81 I83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.22Å; I20-Y94 HydrophobicContact CD1-CD2 3.73Å; I20-Y94 HydrophobicContact CD1-CG 3.83Å; V37-Y94 CarbonylContact O-C 3.56Å; V37-Y94 WeakPolarHBondContact O-CA 3.48Å; K38-Y94 HydrophobicContact CB-CD1 4.12Å; K38-Y94 HydrophobicContact CB-CE1 3.95Å; K38-Y94 HydrophobicContact CD-CE1 3.89Å; K38-Y94 HydrophobicContact CG-CD1 4.21Å; K38-Y94 HydrophobicContact CG-CE1 3.71Å; M48-Y94 HydrophobicContact CE-CD1 4.07Å; M48-Y94 HydrophobicContact CE-CE1 3.85Å; M48-Y94 HydrophobicContact SD-CD1 3.63Å; M48-Y94 HydrophobicContact SD-CE1 3.86Å; F68-Y94 HydrophobicContact CE1-CE1 4Å; L81-Y94 HydrophobicContact CD2-CD1 3.41Å; L81-Y94 VanDerWaalsContact CD2-CD1 3.41Å; L81-Y94 HydrophobicContact CD2-CE1 4.11Å; L81-Y94 HydrophobicContact CD2-CG 3.86Å; I83-Y94 HydrophobicContact CD1-CD1 4.46Å; I83-Y94 HydrophobicContact CD1-CD2 4.33Å; I83-Y94 HydrophobicContact CD1-CE1 3.82Å; I83-Y94 HydrophobicContact CD1-CE2 3.69Å; I83-Y94 WeakPolarHBondContact CD1-OH 3.15Å; D90-Y94 WeakPolarHBondContact O-CE2 3.2Å; D90-Y94 PolarHBondContact O-OH 3.25Å; A92-Y94 HydrophobicContact CB-CD2 4.45Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å
95	F	98.6	Very high	96.9	Very high	69 Å²	69	65.2 Å²	65.2	30%	0.303	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.1	-178.2	-60.9	-82	0	0	0	109.8	W36 V37 Q39 F45 T93 V97	W36-F95 CarbonylContact C-O 3.6Å; W36-F95 WeakPolarHBondContact CA-O 3.17Å; V37-F95 HydrophobicContact CB-CB 4.43Å; V37-F95 PolarHBondContact N-O 2.78Å; V37-F95 PolarHBondContact O-N 3.48Å; Q39-F95 HydrophobicContact CB-CD2 4.45Å; Q39-F95 HydrophobicContact CB-CE2 3.89Å; F45-F95 HydrophobicContact CD1-CD2 4.41Å; F45-F95 HydrophobicContact CD1-CE2 4.46Å; F45-F95 HydrophobicContact CE1-CD2 4.03Å; F45-F95 AromaticContact CE1-CE2 3.76Å; F45-F95 HydrophobicContact CE1-CE2 3.76Å; T93-F95 HydrophobicContact CG2-CD1 4.33Å; T93-F95 HydrophobicContact CG2-CD2 4.22Å; T93-F95 HydrophobicContact CG2-CE1 3.67Å; T93-F95 HydrophobicContact CG2-CE2 3.54Å; T93-F95 HydrophobicContact CG2-CZ 3.24Å; F95-V97 HydrophobicContact CB-CG2 4.47Å
96	C	98.6	Very high	96.9	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.7	159.6	60.4	0	0	0	0	109.4	Q6 C22 M34 H35 W36	Q6-C96 WeakPolarHBondContact CG-SG 3.39Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.17Å; C22-C96 WeakPolarHBondContact SG-CB 3.47Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 3.26Å; M34-C96 HydrophobicContact CG-CB 4.34Å; M34-C96 HydrophobicContact SD-CB 3.81Å; H35-C96 CarbonylContact O-C 3.58Å; H35-C96 VanDerWaalsContact O-CA 3.31Å; H35-C96 WeakPolarHBondContact O-CA 3.44Å; W36-C96 HydrophobicContact CD2-CB 4.39Å; W36-C96 HydrophobicContact CE3-CB 4.02Å; W36-C96 HydrophobicContact CH2-CB 3.92Å; W36-C96 HydrophobicContact CZ2-CB 4.26Å; W36-C96 HydrophobicContact CZ3-CB 3.79Å
97	V	98.1	Very high	97	Very high	64 Å²	64	65.7 Å²	65.7	39%	0.388	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.1	-178.1	-175.1	0	0	0	0	109.8	H35 V37 F95	H35-V97 HydrophobicContact CB-CB 4.26Å; H35-V97 PolarHBondContact N-O 2.79Å; H35-V97 PolarHBondContact O-N 3.17Å; V37-V97 HydrophobicContact CG2-CG2 4Å; F95-V97 HydrophobicContact CB-CG2 4.47Å
98	R	93.5	Very high	97	Very high	87 Å²	87	63.6 Å²	63.6	33%	0.328	34%	0.337	S	S	.	.			trans	-129.1	0	175.9	175.1	65.4	-144.3	100	18.4	109.6	L4 Y27 Y32 M34	L4-R98 HydrophobicContact CD1-CB 3.89Å; L4-R98 HydrophobicContact CD2-CB 4.18Å; L4-R98 HydrophobicContact CG-CB 4.44Å; Y27-R98 HydrophobicContact CE1-CG 3.93Å; Y27-R98 HydrophobicContact CE2-CG 3.98Å; Y27-R98 WeakPolarHBondContact OH-CD 3.4Å; Y32-R98 VanDerWaalsContact CB-NH2 3.26Å; Y32-R98 VanDerWaalsContact CE1-NH2 3.28Å; Y32-R98 VanDerWaalsContact CG-NE 3.32Å; M34-R98 HydrophobicContact CE-CB 4.45Å; M34-R98 HydrophobicContact SD-CB 4.43Å

Retrieved 98 of 98 residues in 64.5 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).