A0A077ZAD4_TRITR Loading...

Protein yippee-like

AlphaFold DB , UniProt , Accession A0A077ZAD4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077ZAD4_TRITR|A0A077ZAD4
MGRLFLEHLGGVRLFSCANCDIFLTNRNELVSTRFTGATGRAFLFNRVVNLDHGEVQDRVMLTGRHMVRDVSCKKCKIKLGWMYEFALDESQRYKEGRVILERALITESEGFVENVVDSDSVSIMSSQ
					

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	M	60.6	Low	87.7	Confident	246 Å²	246	103.3 Å²	103.3	100%	1.212	53%	0.53	S	S	*	.				0	121.9	0	-70.3	-174	-82.7	0	0	108.1
2	G	82.1	Confident	88	Confident	80 Å²	80	100.9 Å²	100.9	83%	0.825	52%	0.523	S	S	*	.			trans	-69.8	147.1	-179	0	0	0	0	0	111.8
3	R	85	Confident	88.6	Confident	221 Å²	221	103.1 Å²	103.1	83%	0.834	52%	0.52	S	S	*	.			trans	-70.5	133.2	173.5	-71	-177.9	-179.4	176.5	0.3	109.5	F5	R3-F5 HydrophobicContact CB-CE2 4Å; R3-F5 HydrophobicContact CB-CZ 4.31Å; R3-F5 PolarHBondContact O-N 3.29Å
4	L	84.6	Confident	89.2	Confident	90 Å²	90	96.7 Å²	96.7	47%	0.471	49%	0.489	S	S	.	.			trans	-85.1	106.7	173.3	-175.2	67.5	0	0	0	108.9	L6 K74 K75	L4-L6 HydrophobicContact CD1-CD2 4.28Å; L4-L6 HydrophobicContact CD2-CD2 3.7Å; L4-L6 HydrophobicContact CD2-CG 4.31Å; L4-L6 HydrophobicContact CG-CD2 3.61Å; L4-L6 HydrophobicContact CG-CG 4.24Å; L4-K74 HydrophobicContact CD1-CD 3.87Å; L4-K74 HydrophobicContact CD1-CG 3.89Å; L4-K75 HydrophobicContact CD2-CB 4.44Å
5	F	90.9	Very high	89.8	Confident	156 Å²	156	90.4 Å²	90.4	68%	0.684	46%	0.457	S	S	*	.			trans	-82.5	119.7	172.3	-67	-86.2	0	0	0	109.7	R3 K74	R3-F5 HydrophobicContact CB-CE2 4Å; R3-F5 HydrophobicContact CB-CZ 4.31Å; R3-F5 PolarHBondContact O-N 3.29Å; F5-K74 PolarHBondContact O-NZ 3.48Å
6	L	94.1	Very high	90.4	Very high	92 Å²	92	85.6 Å²	85.6	48%	0.482	43%	0.434	S	S	.	.			trans	-108.4	138.8	177.6	-58.3	-172.1	0	0	0	109.8	L4 I22 N50	L4-L6 HydrophobicContact CD1-CD2 4.28Å; L4-L6 HydrophobicContact CD2-CD2 3.7Å; L4-L6 HydrophobicContact CD2-CG 4.31Å; L4-L6 HydrophobicContact CG-CD2 3.61Å; L4-L6 HydrophobicContact CG-CG 4.24Å; L6-I22 HydrophobicContact CD1-CD1 3.58Å; L6-I22 HydrophobicContact CD1-CG1 3.97Å; L6-I22 HydrophobicContact CD2-CD1 3.39Å; L6-I22 HydrophobicContact CD2-CG1 4.38Å; L6-I22 HydrophobicContact CG-CD1 4.09Å; L6-N50 VanDerWaalsContact CA-OD1 3.31Å; L6-N50 WeakPolarHBondContact CA-OD1 3.43Å
7	E	95.8	Very high	90.9	Very high	89 Å²	89	80.6 Å²	80.6	42%	0.416	41%	0.409	S	S	.	.			trans	-104.6	152.1	176.7	-174.2	174.5	-174.8	0	0	110.1	R47 V49 N50	E7-R47 IonicContact OE1-CZ 3.31Å; E7-R47 IonicContact OE1-NH1 3.47Å; E7-R47 IonicContact OE1-NH2 3.06Å; E7-R47 PolarHBondContact OE1-NH2 3.49Å; E7-R47 IonicContact OE2-NH2 3.85Å; E7-V49 HydrophobicContact CB-CB 4.05Å; E7-V49 HydrophobicContact CB-CG1 4.19Å; E7-V49 HydrophobicContact CB-CG2 4.29Å; E7-V49 HydrophobicContact CG-CB 4.39Å; E7-V49 HydrophobicContact CG-CG1 4Å; E7-V49 WeakPolarHBondContact O-CG2 3.5Å; E7-V49 WeakPolarHBondContact OE2-CG1 3.38Å; E7-N50 PolarHBondContact N-OD1 3.29Å; E7-N50 PolarHBondContact O-ND2 2.84Å
8	H	94.8	Very high	91.3	Very high	105 Å²	105	78.7 Å²	78.7	49%	0.486	41%	0.407	S	S	.	.			trans	-137	132	176.3	-165.5	-85.1	0	0	0	109.3	G10 F23	H8-G10 WeakPolarHBondContact ND1-CA 3.46Å; H8-G10 PolarHBondContact ND1-N 3.35Å; H8-F23 HydrophobicContact CB-CD1 4.31Å; H8-F23 AromaticContact CD2-CD1 3.6Å; H8-F23 AromaticContact CD2-CD2 3.58Å; H8-F23 AromaticContact CD2-CG 3.29Å; H8-F23 WeakPolarHBondContact CD2-CG 3.47Å; H8-F23 AromaticContact NE2-CD2 3.37Å; H8-F23 WeakPolarHBondContact NE2-CD2 3.3Å; H8-F23 AromaticContact NE2-CE2 3.7Å; H8-F23 AromaticContact NE2-CG 3.64Å
9	L	93.4	Very high	91.7	Very high	34 Å²	34	79.8 Å²	79.8	18%	0.178	41%	0.414	C	S	.	.			trans	-93.9	-0.7	-176.2	-59.2	178.7	0	0	0	113.4	F23 N26 E29 R47 V49	L9-F23 HydrophobicContact CB-CE1 4Å; L9-F23 HydrophobicContact CB-CZ 3.95Å; L9-F23 HydrophobicContact CG-CE1 4Å; L9-F23 HydrophobicContact CG-CZ 4.36Å; L9-N26 PolarHBondContact O-ND2 3.4Å; L9-E29 HydrophobicContact CD1-CG 4.08Å; L9-R47 HydrophobicContact CD1-CB 4.18Å; L9-R47 HydrophobicContact CD1-CG 4.05Å; L9-R47 VanDerWaalsContact CD2-NH1 3.3Å; L9-V49 HydrophobicContact CD1-CG1 4.2Å; L9-V49 HydrophobicContact CD2-CG1 3.87Å; L9-V49 HydrophobicContact CG-CG1 4.03Å; L9-V49 HydrophobicContact CG-CG2 4.33Å
10	G	92	Very high	92	Very high	12 Å²	12	76.7 Å²	76.7	12%	0.124	40%	0.399	C	S	.	.			trans	71	-164.8	-174.7	0	0	0	0	0	112.4	H8 L14 N26	H8-G10 WeakPolarHBondContact ND1-CA 3.46Å; H8-G10 PolarHBondContact ND1-N 3.35Å; G10-L14 WeakPolarHBondContact O-CD2 3.36Å; G10-N26 WeakPolarHBondContact O-CB 3.2Å; G10-N26 PolarHBondContact O-ND2 3.03Å
11	G	91.5	Very high	92.2	Very high	11 Å²	11	78.8 Å²	78.8	11%	0.113	41%	0.411	C	S	.	.			trans	103.1	165.5	176.8	0	0	0	0	0	115.6	L14 G111 F112	G11-L14 WeakPolarHBondContact O-CD2 3.5Å; G11-G111 WeakPolarHBondContact O-CA 3.23Å; G11-F112 PolarHBondContact O-N 2.87Å
12	V	91	Very high	94	Very high	75 Å²	75	67.5 Å²	67.5	46%	0.455	36%	0.355	S	S	.	.	S	Bend	trans	-89.3	-17.5	-173.3	-66.3	0	0	0	0	114.4	G111 V113	V12-G111 PolarHBondContact O-N 3.1Å; V12-V113 HydrophobicContact CG1-CG2 4.5Å
13	R	95.9	Very high	94.7	Very high	129 Å²	129	64.5 Å²	64.5	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	117.5	176.7	-75.8	-172.5	-174.9	-177.5	3.2	108.9	N26 R27 S109	R13-N26 CarbonylContact O-C 3.51Å; R13-N26 WeakPolarHBondContact O-CA 3.39Å; R13-N26 VanDerWaalsContact O-CB 3.3Å; R13-N26 WeakPolarHBondContact O-CB 3.43Å; R13-R27 HydrophobicContact CB-CB 3.68Å; R13-R27 HydrophobicContact CB-CG 4.4Å; R13-R27 PolarHBondContact O-N 2.79Å; R13-S109 WeakPolarHBondContact CA-O 3.29Å
14	L	97.5	Very high	95.3	Very high	14 Å²	14	54 Å²	54	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.9	-168.4	-49.5	178.9	0	0	0	109.7	G10 G11 F23 N26 E108 S109	G10-L14 WeakPolarHBondContact O-CD2 3.36Å; G11-L14 WeakPolarHBondContact O-CD2 3.5Å; L14-F23 HydrophobicContact CB-CD2 4.13Å; L14-F23 HydrophobicContact CB-CE2 4Å; L14-F23 HydrophobicContact CD1-CD2 4.45Å; L14-F23 HydrophobicContact CD2-CD2 4.31Å; L14-F23 HydrophobicContact CD2-CE2 3.66Å; L14-F23 HydrophobicContact CG-CE2 4.27Å; L14-N26 HydrophobicContact CD2-CB 4.22Å; L14-E108 CarbonylContact O-C 3.49Å; L14-E108 VanDerWaalsContact O-CA 3.3Å; L14-E108 WeakPolarHBondContact O-CA 3.49Å; L14-S109 PolarHBondContact N-O 3.04Å; L14-S109 PolarHBondContact O-N 2.88Å
15	F	98.5	Very high	96	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.6	168.3	-67.1	-82.8	0	0	0	109.3	L24 T25 R27 F43 F45 I106 T107 E108	F15-L24 WeakPolarHBondContact O-CB 3.36Å; F15-L24 PolarHBondContact O-N 3.47Å; F15-T25 HydrophobicContact CB-CG2 3.8Å; F15-T25 HydrophobicContact CD2-CG2 3.99Å; F15-T25 HydrophobicContact CG-CG2 4.23Å; F15-T25 PolarHBondContact N-O 3.33Å; F15-T25 PolarHBondContact O-N 3.5Å; F15-R27 HydrophobicContact CE2-CB 4.47Å; F15-F43 HydrophobicContact CE1-CD2 4.25Å; F15-F43 HydrophobicContact CE1-CE2 4.15Å; F15-F45 HydrophobicContact CD1-CZ 4.32Å; F15-F45 AromaticContact CD2-CE1 3.66Å; F15-F45 HydrophobicContact CD2-CE1 3.66Å; F15-F45 AromaticContact CD2-CZ 3.8Å; F15-F45 HydrophobicContact CD2-CZ 3.8Å; F15-F45 HydrophobicContact CE1-CZ 4.35Å; F15-F45 AromaticContact CE2-CE1 3.63Å; F15-F45 HydrophobicContact CE2-CE1 3.63Å; F15-F45 AromaticContact CE2-CZ 3.84Å; F15-F45 HydrophobicContact CE2-CZ 3.84Å; F15-F45 HydrophobicContact CG-CE1 4.34Å; F15-F45 HydrophobicContact CG-CZ 4.04Å; F15-F45 HydrophobicContact CZ-CE1 4.29Å; F15-F45 HydrophobicContact CZ-CZ 4.13Å; F15-I106 HydrophobicContact CD1-CD1 3.8Å; F15-I106 HydrophobicContact CD1-CG1 4.4Å; F15-I106 HydrophobicContact CE1-CD1 4.39Å; F15-I106 HydrophobicContact CG-CD1 4.47Å; F15-T107 CarbonylContact C-O 3.59Å; F15-T107 VanDerWaalsContact CA-O 3.25Å; F15-T107 WeakPolarHBondContact CA-O 3.37Å; F15-E108 HydrophobicContact CD1-CB 4.12Å; F15-E108 HydrophobicContact CD1-CG 4.36Å; F15-E108 HydrophobicContact CE1-CB 3.86Å; F15-E108 HydrophobicContact CE1-CG 3.87Å; F15-E108 HydrophobicContact CZ-CG 4.1Å
16	S	98.4	Very high	96.3	Very high	13 Å²	13	42.6 Å²	42.6	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.2	-177.5	-59.9	0	0	0	0	111.1	A18 I22 I106 T107	S16-A18 PolarHBondContact O-N 3.35Å; S16-I22 CarbonylContact C-O 3.51Å; S16-I22 WeakPolarHBondContact CA-O 3.3Å; S16-I22 WeakPolarHBondContact CB-O 3.25Å; S16-I106 CarbonylContact O-C 3.42Å; S16-I106 WeakPolarHBondContact O-CA 3.44Å; S16-I106 WeakPolarHBondContact O-CB 3.34Å; S16-T107 PolarHBondContact N-O 3.31Å; S16-T107 PolarHBondContact O-N 3.01Å; S16-T107 PolarHBondContact O-OG1 3.11Å
17	C	98.7	Very high	96.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	125	174	177.1	0	0	0	0	110.1	N19 C20 D21 I22 L24	C17-N19 PolarHBondContact O-N 2.83Å; C17-C20 PolarHBondContact O-N 3.01Å; C17-D21 WeakPolarHBondContact O-CA 3.37Å; C17-D21 PolarHBondContact O-N 3.02Å; C17-I22 HydrophobicContact CB-CG2 3.66Å; C17-I22 PolarHBondContact N-O 3.19Å; C17-L24 HydrophobicContact CB-CD1 4.25Å
18	A	98.3	Very high	96.5	Very high	46 Å²	46	44.4 Å²	44.4	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.3	-177.2	0	0	0	0	0	114.6	S16 L105 T107	S16-A18 PolarHBondContact O-N 3.35Å; A18-L105 WeakPolarHBondContact CB-O 3.36Å; A18-L105 PolarHBondContact N-O 3.17Å; A18-T107 HydrophobicContact CB-CG2 3.92Å
19	N	98.5	Very high	96.6	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-27.9	-177.4	-179.7	85.8	0	0	0	114.2	C17 C76 I78	C17-N19 PolarHBondContact O-N 2.83Å; N19-C76 WeakPolarHBondContact ND2-CB 3.36Å; N19-I78 HydrophobicContact CB-CD1 3.42Å; N19-I78 VanDerWaalsContact CB-CD1 3.42Å; N19-I78 WeakPolarHBondContact OD1-CD1 3.42Å
20	C	97.9	Very high	96.9	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.108	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	8	-172.1	72.2	0	0	0	0	114.8	C17 I22 C73 K75 C76	C17-C20 PolarHBondContact O-N 3.01Å; C20-I22 PolarHBondContact O-N 2.79Å; C20-C73 PolarHBondContact SG-SG 3.17Å; C20-K75 HydrophobicContact CB-CD 4.1Å; C20-K75 PolarHBondContact O-NZ 3.23Å; C20-C76 HydrophobicContact CB-CB 3.99Å; C20-C76 VanDerWaalsContact SG-SG 3.66Å
21	D	97.2	Very high	97.2	Very high	121 Å²	121	43.5 Å²	43.5	65%	0.647	23%	0.229	S	C	*	.			trans	56.7	20.7	174.3	-53.3	-52.7	0	0	0	114.8	C17 F23	C17-D21 WeakPolarHBondContact O-CA 3.37Å; C17-D21 PolarHBondContact O-N 3.02Å; D21-F23 PolarHBondContact O-N 2.85Å
22	I	97.1	Very high	97.5	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.046	23%	0.234	C	C	.	.			trans	-70	133.6	173	-163.9	161.7	0	0	0	109.4	L6 S16 C17 C20 L24 N50 C73 K75	L6-I22 HydrophobicContact CD1-CD1 3.58Å; L6-I22 HydrophobicContact CD1-CG1 3.97Å; L6-I22 HydrophobicContact CD2-CD1 3.39Å; L6-I22 HydrophobicContact CD2-CG1 4.38Å; L6-I22 HydrophobicContact CG-CD1 4.09Å; S16-I22 CarbonylContact C-O 3.51Å; S16-I22 WeakPolarHBondContact CA-O 3.3Å; S16-I22 WeakPolarHBondContact CB-O 3.25Å; C17-I22 HydrophobicContact CB-CG2 3.66Å; C17-I22 PolarHBondContact N-O 3.19Å; C20-I22 PolarHBondContact O-N 2.79Å; I22-L24 HydrophobicContact CG2-CD2 4.23Å; I22-N50 HydrophobicContact CD1-CB 3.91Å; I22-N50 HydrophobicContact CG1-CB 4.07Å; I22-C73 WeakPolarHBondContact CG2-SG 3.24Å; I22-K75 HydrophobicContact CD1-CB 3.79Å; I22-K75 HydrophobicContact CD1-CD 4.42Å
23	F	97.8	Very high	97.8	Very high	18 Å²	18	42.9 Å²	42.9	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	140.6	173.5	176.2	-97.5	0	0	0	111	H8 L9 L14 D21 T25 V49 N50	H8-F23 HydrophobicContact CB-CD1 4.31Å; H8-F23 AromaticContact CD2-CD1 3.6Å; H8-F23 AromaticContact CD2-CD2 3.58Å; H8-F23 AromaticContact CD2-CG 3.29Å; H8-F23 WeakPolarHBondContact CD2-CG 3.47Å; H8-F23 AromaticContact NE2-CD2 3.37Å; H8-F23 WeakPolarHBondContact NE2-CD2 3.3Å; H8-F23 AromaticContact NE2-CE2 3.7Å; H8-F23 AromaticContact NE2-CG 3.64Å; L9-F23 HydrophobicContact CB-CE1 4Å; L9-F23 HydrophobicContact CB-CZ 3.95Å; L9-F23 HydrophobicContact CG-CE1 4Å; L9-F23 HydrophobicContact CG-CZ 4.36Å; L14-F23 HydrophobicContact CB-CD2 4.13Å; L14-F23 HydrophobicContact CB-CE2 4Å; L14-F23 HydrophobicContact CD1-CD2 4.45Å; L14-F23 HydrophobicContact CD2-CD2 4.31Å; L14-F23 HydrophobicContact CD2-CE2 3.66Å; L14-F23 HydrophobicContact CG-CE2 4.27Å; D21-F23 PolarHBondContact O-N 2.85Å; F23-T25 WeakPolarHBondContact CE2-O 3.47Å; F23-T25 VanDerWaalsContact CZ-C 3.4Å; F23-T25 WeakPolarHBondContact CZ-O 3.29Å; F23-V49 HydrophobicContact CD1-CG2 3.66Å; F23-V49 HydrophobicContact CE1-CG2 3.62Å; F23-N50 WeakPolarHBondContact O-CB 3.33Å; F23-N50 PolarHBondContact O-ND2 3.47Å
24	L	98.5	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-49.6	178.8	-63.1	172.9	0	0	0	111.7	F15 C17 I22 V48 V49 L51 L80 L101 I106	F15-L24 WeakPolarHBondContact O-CB 3.36Å; F15-L24 PolarHBondContact O-N 3.47Å; C17-L24 HydrophobicContact CB-CD1 4.25Å; I22-L24 HydrophobicContact CG2-CD2 4.23Å; L24-V48 HydrophobicContact CB-CG1 3.86Å; L24-V48 CarbonylContact O-C 3.48Å; L24-V48 WeakPolarHBondContact O-CA 3.21Å; L24-V48 WeakPolarHBondContact O-CG1 3.46Å; L24-V49 VanDerWaalsContact O-CG2 3.3Å; L24-V49 WeakPolarHBondContact O-CG2 3.35Å; L24-V49 PolarHBondContact O-N 2.93Å; L24-L51 HydrophobicContact CD2-CD2 4.03Å; L24-L80 HydrophobicContact CD1-CD1 3.6Å; L24-L80 HydrophobicContact CD2-CD1 3.84Å; L24-L80 HydrophobicContact CG-CD1 4.39Å; L24-L101 HydrophobicContact CB-CD1 4.43Å; L24-L101 HydrophobicContact CD1-CD1 4.24Å; L24-I106 HydrophobicContact CD1-CG2 3.78Å
25	T	98.5	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	-178.2	-176.1	-170.4	0	0	0	0	110.5	F15 F23 E29 F45 R47 V48 L101	F15-T25 HydrophobicContact CB-CG2 3.8Å; F15-T25 HydrophobicContact CD2-CG2 3.99Å; F15-T25 HydrophobicContact CG-CG2 4.23Å; F15-T25 PolarHBondContact N-O 3.33Å; F15-T25 PolarHBondContact O-N 3.5Å; F23-T25 WeakPolarHBondContact CE2-O 3.47Å; F23-T25 VanDerWaalsContact CZ-C 3.4Å; F23-T25 WeakPolarHBondContact CZ-O 3.29Å; T25-E29 WeakPolarHBondContact OG1-CB 3.44Å; T25-E29 WeakPolarHBondContact OG1-CG 3.49Å; T25-F45 HydrophobicContact CG2-CD1 3.56Å; T25-F45 HydrophobicContact CG2-CD2 4.22Å; T25-F45 HydrophobicContact CG2-CE1 3.61Å; T25-F45 HydrophobicContact CG2-CE2 4.24Å; T25-F45 HydrophobicContact CG2-CG 3.88Å; T25-F45 HydrophobicContact CG2-CZ 3.95Å; T25-R47 WeakPolarHBondContact CB-O 2.99Å; T25-R47 PolarHBondContact OG1-O 2.93Å; T25-V48 HydrophobicContact CG2-CG2 4.19Å; T25-L101 HydrophobicContact CG2-CD1 4.26Å
26	N	97.2	Very high	97.7	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.032	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	175.3	177.2	68.6	41.8	0	0	0	111.5	L9 G10 R13 L14 N28 E29	L9-N26 PolarHBondContact O-ND2 3.4Å; G10-N26 WeakPolarHBondContact O-CB 3.2Å; G10-N26 PolarHBondContact O-ND2 3.03Å; R13-N26 CarbonylContact O-C 3.51Å; R13-N26 WeakPolarHBondContact O-CA 3.39Å; R13-N26 VanDerWaalsContact O-CB 3.3Å; R13-N26 WeakPolarHBondContact O-CB 3.43Å; L14-N26 HydrophobicContact CD2-CB 4.22Å; N26-N28 VanDerWaalsContact C-N 3.29Å; N26-N28 PolarHBondContact O-N 2.93Å; N26-N28 WeakPolarHBondContact OD1-CA 3.17Å; N26-N28 WeakPolarHBondContact OD1-CB 3.19Å; N26-N28 PolarHBondContact OD1-N 3.16Å; N26-E29 PolarHBondContact O-N 3.41Å; N26-E29 PolarHBondContact OD1-N 3.46Å
27	R	96.8	Very high	97.5	Very high	96 Å²	96	53.5 Å²	53.5	36%	0.362	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.3	-27.1	-178.7	-167.5	73.4	-178.1	-148.5	6.8	113.9	R13 F15 E29 L30 E108	R13-R27 HydrophobicContact CB-CB 3.68Å; R13-R27 HydrophobicContact CB-CG 4.4Å; R13-R27 PolarHBondContact O-N 2.79Å; F15-R27 HydrophobicContact CE2-CB 4.47Å; R27-E29 PolarHBondContact O-N 2.76Å; R27-L30 VanDerWaalsContact O-CB 3.24Å; R27-L30 WeakPolarHBondContact O-CB 3.36Å; R27-L30 PolarHBondContact O-N 3.39Å; R27-L30 VanDerWaalsContact O-N 3.16Å; R27-E108 IonicContact CZ-OE1 2.73Å; R27-E108 IonicContact NH1-OE1 2.93Å; R27-E108 PolarHBondContact NH1-OE1 2.92Å; R27-E108 IonicContact NH1-OE2 2.98Å; R27-E108 PolarHBondContact NH1-OE2 3.23Å
28	N	96.6	Very high	97.3	Very high	124 Å²	124	58.1 Å²	58.1	66%	0.663	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-70	-25.8	178.9	-62	-14.1	0	0	0	111.4	N26 L30	N26-N28 VanDerWaalsContact C-N 3.29Å; N26-N28 PolarHBondContact O-N 2.93Å; N26-N28 WeakPolarHBondContact OD1-CA 3.17Å; N26-N28 WeakPolarHBondContact OD1-CB 3.19Å; N26-N28 PolarHBondContact OD1-N 3.16Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.86Å
29	E	98.1	Very high	97.2	Very high	44 Å²	44	59.4 Å²	59.4	21%	0.206	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-78.8	-8.4	174.6	-62.3	-60.4	150.7	0	0	113.3	L9 T25 N26 R27 V31 F45 N46 R47	L9-E29 HydrophobicContact CD1-CG 4.08Å; T25-E29 WeakPolarHBondContact OG1-CB 3.44Å; T25-E29 WeakPolarHBondContact OG1-CG 3.49Å; N26-E29 PolarHBondContact O-N 3.41Å; N26-E29 PolarHBondContact OD1-N 3.46Å; R27-E29 PolarHBondContact O-N 2.76Å; E29-V31 PolarHBondContact O-N 3.01Å; E29-F45 HydrophobicContact CB-CD1 4.21Å; E29-F45 CarbonylContact O-C 3.58Å; E29-F45 WeakPolarHBondContact O-CA 3.49Å; E29-N46 PolarHBondContact O-N 2.85Å; E29-N46 WeakPolarHBondContact OE2-CB 3.21Å; E29-R47 HydrophobicContact CG-CB 4.26Å; E29-R47 VanDerWaalsContact OE2-CB 3.23Å; E29-R47 WeakPolarHBondContact OE2-CB 3.21Å; E29-R47 PolarHBondContact OE2-N 3.18Å
30	L	98.2	Very high	97.1	Very high	36 Å²	36	56 Å²	56	19%	0.188	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.8	-176	-178.3	66.5	0	0	0	111.6	R27 N28 T33 F43 F45	R27-L30 VanDerWaalsContact O-CB 3.24Å; R27-L30 WeakPolarHBondContact O-CB 3.36Å; R27-L30 PolarHBondContact O-N 3.39Å; R27-L30 VanDerWaalsContact O-N 3.16Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.86Å; L30-T33 HydrophobicContact CD1-CG2 4.08Å; L30-T33 HydrophobicContact CD2-CG2 3.76Å; L30-T33 HydrophobicContact CG-CG2 4.3Å; L30-F43 HydrophobicContact CD1-CB 3.79Å; L30-F43 HydrophobicContact CD1-CG 4.2Å; L30-F45 HydrophobicContact CB-CD1 4.1Å; L30-F45 HydrophobicContact CB-CE1 3.89Å; L30-F45 HydrophobicContact CD1-CD1 4.09Å; L30-F45 HydrophobicContact CD1-CE1 3.63Å; L30-F45 HydrophobicContact CD1-CE2 4.44Å; L30-F45 HydrophobicContact CD1-CZ 3.83Å; L30-F45 HydrophobicContact CG-CE1 4.34Å
31	V	98	Very high	97.1	Very high	52 Å²	52	61.7 Å²	61.7	32%	0.315	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-46.6	-179.2	179.7	0	0	0	0	111.3	E29 L44 N46	E29-V31 PolarHBondContact O-N 3.01Å; V31-L44 WeakPolarHBondContact CA-O 3.44Å; V31-L44 HydrophobicContact CB-CB 4.32Å; V31-L44 HydrophobicContact CB-CD2 4.13Å; V31-L44 HydrophobicContact CB-CG 4.16Å; V31-L44 WeakPolarHBondContact CB-O 3.42Å; V31-L44 HydrophobicContact CG1-CD2 3.89Å; V31-L44 HydrophobicContact CG1-CG 4.46Å; V31-L44 PolarHBondContact N-O 3.48Å; V31-N46 HydrophobicContact CG2-CB 4.29Å; V31-N46 VanDerWaalsContact CG2-CG 3.44Å; V31-N46 WeakPolarHBondContact CG2-OD1 3.42Å
32	S	97.8	Very high	97.2	Very high	32 Å²	32	55.9 Å²	55.9	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	145.2	-175.5	176.8	0	0	0	0	111.4	R34 F43 L44	S32-R34 PolarHBondContact OG-N 3.35Å; S32-F43 WeakPolarHBondContact O-CA 3.35Å; S32-L44 PolarHBondContact N-O 3.29Å; S32-L44 PolarHBondContact O-N 3.04Å
33	T	97.7	Very high	97.3	Very high	40 Å²	40	56.3 Å²	56.3	25%	0.245	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	11	177.1	65.7	0	0	0	0	113.4	L30 R41 F43	L30-T33 HydrophobicContact CD1-CG2 4.08Å; L30-T33 HydrophobicContact CD2-CG2 3.76Å; L30-T33 HydrophobicContact CG-CG2 4.3Å; T33-R41 PolarHBondContact O-NE 3.42Å; T33-R41 VanDerWaalsContact O-NE 3.11Å; T33-R41 PolarHBondContact OG1-NH2 3.07Å; T33-R41 VanDerWaalsContact OG1-NH2 3.09Å; T33-F43 HydrophobicContact CG2-CD1 3.85Å; T33-F43 HydrophobicContact CG2-CE1 3.97Å; T33-F43 HydrophobicContact CG2-CG 4.42Å
34	R	96.4	Very high	97.3	Very high	229 Å²	229	55.4 Å²	55.4	86%	0.864	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	17.6	-172.6	-59.9	-174.7	179.6	-177.3	0.3	113.4	S32	S32-R34 PolarHBondContact OG-N 3.35Å
35	F	97.2	Very high	97.3	Very high	29 Å²	29	55.4 Å²	55.4	13%	0.127	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	162.3	179.7	-75	-93.8	0	0	0	111.4	A42 L44 I100	F35-A42 CarbonylContact C-O 3.49Å; F35-A42 HydrophobicContact CB-CB 4.29Å; F35-A42 WeakPolarHBondContact CB-O 3.17Å; F35-A42 PolarHBondContact N-O 3.21Å; F35-A42 PolarHBondContact O-N 2.86Å; F35-L44 HydrophobicContact CD2-CB 3.73Å; F35-L44 HydrophobicContact CE2-CB 3.64Å; F35-L44 HydrophobicContact CE2-CD2 3.64Å; F35-L44 HydrophobicContact CE2-CG 4.19Å; F35-L44 HydrophobicContact CZ-CB 4.35Å; F35-L44 HydrophobicContact CZ-CD2 3.76Å; F35-L44 HydrophobicContact CZ-CG 4.5Å; F35-I100 HydrophobicContact CB-CD1 3.91Å; F35-I100 HydrophobicContact CD1-CD1 3.31Å; F35-I100 HydrophobicContact CD1-CG1 4.47Å; F35-I100 HydrophobicContact CE1-CD1 3.9Å; F35-I100 HydrophobicContact CG-CD1 3.7Å
36	T	96.8	Very high	97.3	Very high	106 Å²	106	59 Å²	59	65%	0.65	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	135.2	179.1	-54.7	0	0	0	0	109	G40	T36-G40 CarbonylContact C-O 3.49Å; T36-G40 VanDerWaalsContact CA-O 3.29Å; T36-G40 WeakPolarHBondContact CA-O 3.49Å; T36-G40 WeakPolarHBondContact CG2-O 3.41Å
37	G	94.8	Very high	97.3	Very high	17 Å²	17	64.4 Å²	64.4	18%	0.175	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-163	172.8	0	0	0	0	0	112	T39 G40	G37-T39 VanDerWaalsContact C-N 3.32Å; G37-T39 PolarHBondContact O-N 3.09Å; G37-G40 PolarHBondContact N-O 3.05Å; G37-G40 PolarHBondContact O-N 2.86Å
38	A	94.7	Very high	97.4	Very high	99 Å²	99	60.6 Å²	60.6	82%	0.818	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.1	-172.5	0	0	0	0	0	113.1	E102	A38-E102 PolarHBondContact N-OE1 3.35Å; A38-E102 VanDerWaalsContact N-OE1 3.09Å; A38-E102 PolarHBondContact N-OE2 3.04Å
39	T	96.1	Very high	97.5	Very high	72 Å²	72	55.1 Å²	55.1	44%	0.442	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.1	178.4	66.2	0	0	0	0	113	G37 E102 A104 L105	G37-T39 VanDerWaalsContact C-N 3.32Å; G37-T39 PolarHBondContact O-N 3.09Å; T39-E102 WeakPolarHBondContact CA-OE2 3.3Å; T39-E102 WeakPolarHBondContact CB-OE2 3.47Å; T39-E102 VanDerWaalsContact CG2-OE2 3.31Å; T39-E102 WeakPolarHBondContact CG2-OE2 3.49Å; T39-E102 PolarHBondContact N-OE2 3.11Å; T39-E102 WeakPolarHBondContact OG1-CB 3.31Å; T39-E102 PolarHBondContact OG1-OE2 2.86Å; T39-A104 HydrophobicContact CG2-CB 4.48Å; T39-A104 WeakPolarHBondContact OG1-CB 3.37Å; T39-L105 HydrophobicContact CG2-CD1 4.46Å
40	G	96.4	Very high	97.5	Very high	29 Å²	29	53.6 Å²	53.6	30%	0.299	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	103.1	-127.5	-179.8	0	0	0	0	0	112.5	T36 G37 A42	T36-G40 CarbonylContact C-O 3.49Å; T36-G40 VanDerWaalsContact CA-O 3.29Å; T36-G40 WeakPolarHBondContact CA-O 3.49Å; T36-G40 WeakPolarHBondContact CG2-O 3.41Å; G37-G40 PolarHBondContact N-O 3.05Å; G37-G40 PolarHBondContact O-N 2.86Å; G40-A42 PolarHBondContact O-N 2.92Å
41	R	97.7	Very high	97.5	Very high	136 Å²	136	52.7 Å²	52.7	51%	0.513	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	137.2	-170.9	-169.8	173	-174.8	178.7	-1.8	112	T33 F43 R103	T33-R41 PolarHBondContact O-NE 3.42Å; T33-R41 VanDerWaalsContact O-NE 3.11Å; T33-R41 PolarHBondContact OG1-NH2 3.07Å; T33-R41 VanDerWaalsContact OG1-NH2 3.09Å; R41-F43 HydrophobicContact CG-CE1 4.07Å; R41-R103 HydrophobicContact CB-CB 4.46Å; R41-R103 WeakPolarHBondContact O-CB 3.43Å; R41-R103 PolarHBondContact O-N 2.99Å
42	A	98.4	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157.4	178.7	0	0	0	0	0	112	F35 G40 I100 L101 E102	F35-A42 CarbonylContact C-O 3.49Å; F35-A42 HydrophobicContact CB-CB 4.29Å; F35-A42 WeakPolarHBondContact CB-O 3.17Å; F35-A42 PolarHBondContact N-O 3.21Å; F35-A42 PolarHBondContact O-N 2.86Å; G40-A42 PolarHBondContact O-N 2.92Å; A42-I100 HydrophobicContact CB-CG2 3.56Å; A42-L101 WeakPolarHBondContact CA-O 3.39Å; A42-E102 HydrophobicContact CB-CG 4.34Å
43	F	98.7	Very high	97.5	Very high	17 Å²	17	55.9 Å²	55.9	8%	0.075	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.5	-175.2	-59.4	-21	0	0	0	110.2	F15 L30 S32 T33 R41 F45 I100 L101 R103 I106	F15-F43 HydrophobicContact CE1-CD2 4.25Å; F15-F43 HydrophobicContact CE1-CE2 4.15Å; L30-F43 HydrophobicContact CD1-CB 3.79Å; L30-F43 HydrophobicContact CD1-CG 4.2Å; S32-F43 WeakPolarHBondContact O-CA 3.35Å; T33-F43 HydrophobicContact CG2-CD1 3.85Å; T33-F43 HydrophobicContact CG2-CE1 3.97Å; T33-F43 HydrophobicContact CG2-CG 4.42Å; R41-F43 HydrophobicContact CG-CE1 4.07Å; F43-F45 HydrophobicContact CB-CD2 4.19Å; F43-F45 HydrophobicContact CB-CE2 3.43Å; F43-F45 VanDerWaalsContact CB-CE2 3.43Å; F43-F45 HydrophobicContact CB-CZ 3.8Å; F43-F45 HydrophobicContact CD2-CE2 4.31Å; F43-F45 HydrophobicContact CD2-CZ 4.04Å; F43-F45 HydrophobicContact CG-CE2 4.4Å; F43-F45 HydrophobicContact CG-CZ 4.43Å; F43-I100 VanDerWaalsContact O-CA 3.27Å; F43-I100 WeakPolarHBondContact O-CA 3.23Å; F43-L101 PolarHBondContact N-O 3.15Å; F43-L101 PolarHBondContact O-N 2.77Å; F43-R103 HydrophobicContact CE1-CG 4.47Å; F43-R103 HydrophobicContact CE2-CB 4.45Å; F43-R103 HydrophobicContact CE2-CG 4Å; F43-R103 HydrophobicContact CZ-CB 4.2Å; F43-R103 HydrophobicContact CZ-CG 3.73Å; F43-I106 HydrophobicContact CD2-CD1 4.08Å
44	L	98.6	Very high	97.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.1	174.5	-175.3	70.9	0	0	0	109.3	V31 S32 F35 Y84 Y94 R98 V99 I100	V31-L44 WeakPolarHBondContact CA-O 3.44Å; V31-L44 HydrophobicContact CB-CB 4.32Å; V31-L44 HydrophobicContact CB-CD2 4.13Å; V31-L44 HydrophobicContact CB-CG 4.16Å; V31-L44 WeakPolarHBondContact CB-O 3.42Å; V31-L44 HydrophobicContact CG1-CD2 3.89Å; V31-L44 HydrophobicContact CG1-CG 4.46Å; V31-L44 PolarHBondContact N-O 3.48Å; S32-L44 PolarHBondContact N-O 3.29Å; S32-L44 PolarHBondContact O-N 3.04Å; F35-L44 HydrophobicContact CD2-CB 3.73Å; F35-L44 HydrophobicContact CE2-CB 3.64Å; F35-L44 HydrophobicContact CE2-CD2 3.64Å; F35-L44 HydrophobicContact CE2-CG 4.19Å; F35-L44 HydrophobicContact CZ-CB 4.35Å; F35-L44 HydrophobicContact CZ-CD2 3.76Å; F35-L44 HydrophobicContact CZ-CG 4.5Å; L44-Y84 HydrophobicContact CD1-CD2 4.42Å; L44-Y84 HydrophobicContact CD1-CE2 4.31Å; L44-Y94 HydrophobicContact CD2-CE2 4.13Å; L44-R98 HydrophobicContact CD1-CB 3.67Å; L44-R98 HydrophobicContact CG-CB 4.16Å; L44-V99 WeakPolarHBondContact CA-O 3.25Å; L44-I100 HydrophobicContact CB-CG1 4.45Å; L44-I100 HydrophobicContact CD1-CD1 4.39Å; L44-I100 HydrophobicContact CD1-CG1 3.66Å
45	F	98.8	Very high	97.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.1	179	-64.2	-86.9	0	0	0	111.2	F15 T25 E29 L30 F43 V48 R98 V99 L101 I106	F15-F45 HydrophobicContact CD1-CZ 4.32Å; F15-F45 AromaticContact CD2-CE1 3.66Å; F15-F45 HydrophobicContact CD2-CE1 3.66Å; F15-F45 AromaticContact CD2-CZ 3.8Å; F15-F45 HydrophobicContact CD2-CZ 3.8Å; F15-F45 HydrophobicContact CE1-CZ 4.35Å; F15-F45 AromaticContact CE2-CE1 3.63Å; F15-F45 HydrophobicContact CE2-CE1 3.63Å; F15-F45 AromaticContact CE2-CZ 3.84Å; F15-F45 HydrophobicContact CE2-CZ 3.84Å; F15-F45 HydrophobicContact CG-CE1 4.34Å; F15-F45 HydrophobicContact CG-CZ 4.04Å; F15-F45 HydrophobicContact CZ-CE1 4.29Å; F15-F45 HydrophobicContact CZ-CZ 4.13Å; T25-F45 HydrophobicContact CG2-CD1 3.56Å; T25-F45 HydrophobicContact CG2-CD2 4.22Å; T25-F45 HydrophobicContact CG2-CE1 3.61Å; T25-F45 HydrophobicContact CG2-CE2 4.24Å; T25-F45 HydrophobicContact CG2-CG 3.88Å; T25-F45 HydrophobicContact CG2-CZ 3.95Å; E29-F45 HydrophobicContact CB-CD1 4.21Å; E29-F45 CarbonylContact O-C 3.58Å; E29-F45 WeakPolarHBondContact O-CA 3.49Å; L30-F45 HydrophobicContact CB-CD1 4.1Å; L30-F45 HydrophobicContact CB-CE1 3.89Å; L30-F45 HydrophobicContact CD1-CD1 4.09Å; L30-F45 HydrophobicContact CD1-CE1 3.63Å; L30-F45 HydrophobicContact CD1-CE2 4.44Å; L30-F45 HydrophobicContact CD1-CZ 3.83Å; L30-F45 HydrophobicContact CG-CE1 4.34Å; F43-F45 HydrophobicContact CB-CD2 4.19Å; F43-F45 HydrophobicContact CB-CE2 3.43Å; F43-F45 VanDerWaalsContact CB-CE2 3.43Å; F43-F45 HydrophobicContact CB-CZ 3.8Å; F43-F45 HydrophobicContact CD2-CE2 4.31Å; F43-F45 HydrophobicContact CD2-CZ 4.04Å; F43-F45 HydrophobicContact CG-CE2 4.4Å; F43-F45 HydrophobicContact CG-CZ 4.43Å; F45-V48 HydrophobicContact CB-CG2 3.68Å; F45-V48 HydrophobicContact CD2-CG2 4.4Å; F45-V48 HydrophobicContact CG-CG2 4.23Å; F45-R98 WeakPolarHBondContact O-CA 3.47Å; F45-R98 VanDerWaalsContact O-CB 3.27Å; F45-R98 WeakPolarHBondContact O-CB 3.39Å; F45-V99 PolarHBondContact N-O 3.37Å; F45-V99 PolarHBondContact O-N 2.8Å; F45-L101 HydrophobicContact CD2-CB 4.38Å; F45-L101 HydrophobicContact CD2-CD1 4Å; F45-L101 HydrophobicContact CD2-CG 4.14Å; F45-L101 HydrophobicContact CE2-CB 4.09Å; F45-L101 HydrophobicContact CE2-CD1 3.93Å; F45-L101 HydrophobicContact CE2-CG 4.24Å; F45-I106 HydrophobicContact CE2-CD1 4.42Å
46	N	98.3	Very high	97.7	Very high	74 Å²	74	54.1 Å²	54.1	40%	0.396	30%	0.303	S	S	.	.	S	Bend	trans	-65.6	-54.8	172.9	-77.2	-30.2	0	0	0	110.7	E29 V31 R98	E29-N46 PolarHBondContact O-N 2.85Å; E29-N46 WeakPolarHBondContact OE2-CB 3.21Å; V31-N46 HydrophobicContact CG2-CB 4.29Å; V31-N46 VanDerWaalsContact CG2-CG 3.44Å; V31-N46 WeakPolarHBondContact CG2-OD1 3.42Å; N46-R98 VanDerWaalsContact OD1-CZ 3.24Å; N46-R98 PolarHBondContact OD1-NE 3.48Å; N46-R98 PolarHBondContact OD1-NH1 2.86Å
47	R	98	Very high	97.7	Very high	120 Å²	120	53 Å²	53	45%	0.453	29%	0.29	S	S	.	.			trans	-126.6	135.6	-179.6	-164.7	175.7	-178.1	-158	-6.9	112	E7 L9 T25 E29	E7-R47 IonicContact OE1-CZ 3.31Å; E7-R47 IonicContact OE1-NH1 3.47Å; E7-R47 IonicContact OE1-NH2 3.06Å; E7-R47 PolarHBondContact OE1-NH2 3.49Å; E7-R47 IonicContact OE2-NH2 3.85Å; L9-R47 HydrophobicContact CD1-CB 4.18Å; L9-R47 HydrophobicContact CD1-CG 4.05Å; L9-R47 VanDerWaalsContact CD2-NH1 3.3Å; T25-R47 WeakPolarHBondContact CB-O 2.99Å; T25-R47 PolarHBondContact OG1-O 2.93Å; E29-R47 HydrophobicContact CG-CB 4.26Å; E29-R47 VanDerWaalsContact OE2-CB 3.23Å; E29-R47 WeakPolarHBondContact OE2-CB 3.21Å; E29-R47 PolarHBondContact OE2-N 3.18Å
48	V	98.6	Very high	97.8	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.103	30%	0.301	C	S	.	.			trans	-136.9	133.6	172.2	-172.8	0	0	0	0	108.6	L24 T25 F45 L51 V99 L101	L24-V48 HydrophobicContact CB-CG1 3.86Å; L24-V48 CarbonylContact O-C 3.48Å; L24-V48 WeakPolarHBondContact O-CA 3.21Å; L24-V48 WeakPolarHBondContact O-CG1 3.46Å; T25-V48 HydrophobicContact CG2-CG2 4.19Å; F45-V48 HydrophobicContact CB-CG2 3.68Å; F45-V48 HydrophobicContact CD2-CG2 4.4Å; F45-V48 HydrophobicContact CG-CG2 4.23Å; V48-L51 HydrophobicContact CB-CD1 3.73Å; V48-L51 HydrophobicContact CG1-CD1 3.49Å; V48-L51 VanDerWaalsContact CG1-CD1 3.49Å; V48-L51 HydrophobicContact CG1-CD2 4.3Å; V48-L51 HydrophobicContact CG1-CG 3.91Å; V48-V99 HydrophobicContact CB-CB 4.19Å; V48-V99 HydrophobicContact CB-CG1 4.28Å; V48-V99 HydrophobicContact CB-CG2 4.19Å; V48-V99 HydrophobicContact CG2-CB 3.65Å; V48-V99 HydrophobicContact CG2-CG1 3.95Å; V48-V99 HydrophobicContact CG2-CG2 4.11Å; V48-L101 HydrophobicContact CG1-CD1 3.93Å; V48-L101 HydrophobicContact CG1-CD2 4.47Å; V48-L101 HydrophobicContact CG2-CD1 4.06Å; V48-L101 HydrophobicContact CG2-CG 4.45Å
49	V	98.3	Very high	97.9	Very high	9 Å²	9	53.7 Å²	53.7	6%	0.055	27%	0.272	C	S	.	.			trans	-111.3	171.9	-177.9	-62.4	0	0	0	0	111	E7 L9 F23 L24 L51	E7-V49 HydrophobicContact CB-CB 4.05Å; E7-V49 HydrophobicContact CB-CG1 4.19Å; E7-V49 HydrophobicContact CB-CG2 4.29Å; E7-V49 HydrophobicContact CG-CB 4.39Å; E7-V49 HydrophobicContact CG-CG1 4Å; E7-V49 WeakPolarHBondContact O-CG2 3.5Å; E7-V49 WeakPolarHBondContact OE2-CG1 3.38Å; L9-V49 HydrophobicContact CD1-CG1 4.2Å; L9-V49 HydrophobicContact CD2-CG1 3.87Å; L9-V49 HydrophobicContact CG-CG1 4.03Å; L9-V49 HydrophobicContact CG-CG2 4.33Å; F23-V49 HydrophobicContact CD1-CG2 3.66Å; F23-V49 HydrophobicContact CE1-CG2 3.62Å; L24-V49 VanDerWaalsContact O-CG2 3.3Å; L24-V49 WeakPolarHBondContact O-CG2 3.35Å; L24-V49 PolarHBondContact O-N 2.93Å; V49-L51 VanDerWaalsContact C-N 3.27Å; V49-L51 PolarHBondContact O-N 2.66Å
50	N	98.5	Very high	97.9	Very high	12 Å²	12	56 Å²	56	6%	0.064	29%	0.286	C	S	.	.	S	Bend	trans	58.8	38.3	178.3	-52.1	-42.7	0	0	0	113.5	L6 E7 I22 F23 K74	L6-N50 VanDerWaalsContact CA-OD1 3.31Å; L6-N50 WeakPolarHBondContact CA-OD1 3.43Å; E7-N50 PolarHBondContact N-OD1 3.29Å; E7-N50 PolarHBondContact O-ND2 2.84Å; I22-N50 HydrophobicContact CD1-CB 3.91Å; I22-N50 HydrophobicContact CG1-CB 4.07Å; F23-N50 WeakPolarHBondContact O-CB 3.33Å; F23-N50 PolarHBondContact O-ND2 3.47Å; N50-K74 VanDerWaalsContact C-CB 3.5Å; N50-K74 WeakPolarHBondContact O-CB 3.18Å; N50-K74 PolarHBondContact O-N 3.45Å
51	L	98.3	Very high	97.8	Very high	17 Å²	17	57 Å²	57	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.5	173.8	-62.8	173.9	0	0	0	111.3	L24 V48 V49 V71 S72 L80 V99	L24-L51 HydrophobicContact CD2-CD2 4.03Å; V48-L51 HydrophobicContact CB-CD1 3.73Å; V48-L51 HydrophobicContact CG1-CD1 3.49Å; V48-L51 VanDerWaalsContact CG1-CD1 3.49Å; V48-L51 HydrophobicContact CG1-CD2 4.3Å; V48-L51 HydrophobicContact CG1-CG 3.91Å; V49-L51 VanDerWaalsContact C-N 3.27Å; V49-L51 PolarHBondContact O-N 2.66Å; L51-V71 HydrophobicContact CB-CB 4.38Å; L51-V71 HydrophobicContact CD1-CB 3.88Å; L51-V71 HydrophobicContact CD1-CG1 4.12Å; L51-V71 HydrophobicContact CD1-CG2 4Å; L51-V71 HydrophobicContact CD2-CB 4.19Å; L51-V71 HydrophobicContact CD2-CG2 4.26Å; L51-V71 HydrophobicContact CG-CB 4.38Å; L51-S72 CarbonylContact C-O 3.57Å; L51-S72 VanDerWaalsContact CA-O 3.28Å; L51-S72 WeakPolarHBondContact CA-O 3.48Å; L51-L80 HydrophobicContact CD2-CD1 3.86Å; L51-V99 HydrophobicContact CD1-CG1 4.1Å
52	D	98	Very high	97.4	Very high	58 Å²	58	59.3 Å²	59.3	31%	0.31	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.8	156.8	-65.1	-40.3	0	0	0	108.6	V71 S72 K77	D52-V71 WeakPolarHBondContact O-CA 3.5Å; D52-S72 PolarHBondContact N-O 2.82Å; D52-S72 PolarHBondContact O-N 3.33Å; D52-K77 IonicContact OD1-NZ 3.86Å; D52-K77 WeakPolarHBondContact OD2-CD 3.43Å; D52-K77 IonicContact OD2-NZ 2.79Å; D52-K77 PolarHBondContact OD2-NZ 2.73Å
53	H	98.2	Very high	97.1	Very high	93 Å²	93	62.1 Å²	62.1	43%	0.431	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.8	-180	-63.7	-98.3	0	0	0	110.2
54	G	98	Very high	96.9	Very high	32 Å²	32	62.2 Å²	62.2	33%	0.33	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-172.6	171.7	0	0	0	0	0	112.9	R69 D70	G54-R69 WeakPolarHBondContact O-CD 3.27Å; G54-R69 PolarHBondContact O-NH1 2.8Å; G54-D70 PolarHBondContact N-O 2.93Å
55	E	98	Very high	96.8	Very high	161 Å²	161	68.6 Å²	68.6	75%	0.752	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	155.4	172.6	-62.9	-174.1	167.3	0	0	111.7	Q57	E55-Q57 PolarHBondContact O-N 2.93Å
56	V	98	Very high	96.7	Very high	67 Å²	67	68.7 Å²	68.7	41%	0.406	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.5	173.4	-176.3	0	0	0	0	108.8	M67 R69	V56-M67 HydrophobicContact CG1-CB 3.86Å; V56-M67 HydrophobicContact CG1-CG 4.42Å; V56-R69 HydrophobicContact CG2-CG 4.05Å
57	Q	97.8	Very high	96.7	Very high	82 Å²	82	69.1 Å²	69.1	38%	0.383	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.1	176.5	-62.9	-173.4	-3.1	0	0	109.8	E55 R59 M67 V68	E55-Q57 PolarHBondContact O-N 2.93Å; Q57-R59 HydrophobicContact CB-CG 4.46Å; Q57-M67 WeakPolarHBondContact O-CA 3.38Å; Q57-V68 PolarHBondContact N-O 2.85Å; Q57-V68 PolarHBondContact O-N 2.82Å
58	D	97.4	Very high	96.7	Very high	77 Å²	77	63.4 Å²	63.4	41%	0.412	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122	171.1	-167.7	-30.7	0	0	0	109.3	R65	D58-R65 VanDerWaalsContact CG-NE 3.27Å; D58-R65 VanDerWaalsContact OD1-CG 3.23Å; D58-R65 WeakPolarHBondContact OD1-CG 3.28Å; D58-R65 IonicContact OD1-CZ 3.82Å; D58-R65 IonicContact OD1-NE 2.62Å; D58-R65 PolarHBondContact OD1-NE 3.44Å; D58-R65 IonicContact OD1-NH2 3.88Å; D58-R65 IonicContact OD2-CZ 3.12Å; D58-R65 IonicContact OD2-NE 3.97Å; D58-R65 PolarHBondContact OD2-NE 2.85Å; D58-R65 IonicContact OD2-NH2 2.64Å; D58-R65 PolarHBondContact OD2-NH2 3.02Å
59	R	96.7	Very high	96.7	Very high	55 Å²	55	66.1 Å²	66.1	21%	0.208	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.6	-179	-62.5	-169.6	-171.6	155.5	-5.5	110.9	Q57 M61 H66 V68 D70	Q57-R59 HydrophobicContact CB-CG 4.46Å; R59-M61 HydrophobicContact CB-CE 3.99Å; R59-H66 PolarHBondContact N-O 3.11Å; R59-H66 PolarHBondContact O-N 2.63Å; R59-V68 HydrophobicContact CB-CG2 4.32Å; R59-V68 HydrophobicContact CG-CG2 3.83Å; R59-D70 IonicContact CZ-OD1 2.67Å; R59-D70 VanDerWaalsContact CZ-OD1 3.31Å; R59-D70 IonicContact NH1-OD1 2.63Å; R59-D70 PolarHBondContact NH1-OD1 2.97Å; R59-D70 IonicContact NH2-OD1 3.72Å; R59-D70 PolarHBondContact NH2-OD1 3.28Å; R59-D70 IonicContact NH2-OD2 2.71Å; R59-D70 PolarHBondContact NH2-OD2 3.34Å
60	V	95.6	Very high	96.7	Very high	120 Å²	120	67 Å²	67	73%	0.727	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.5	166.7	-178.6	0	0	0	0	108.5	R65	V60-R65 HydrophobicContact CG2-CG 4.36Å
61	M	93.1	Very high	96.7	Very high	49 Å²	49	66.4 Å²	66.4	24%	0.241	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	175.5	179	-58.9	-174.6	-177.5	0	0	109.8	R59 T63 G64 V68 Y84	R59-M61 HydrophobicContact CB-CE 3.99Å; M61-T63 PolarHBondContact O-N 3.15Å; M61-T63 VanDerWaalsContact O-N 3.1Å; M61-G64 PolarHBondContact N-O 2.87Å; M61-G64 PolarHBondContact O-N 3.35Å; M61-V68 HydrophobicContact CE-CG1 3.9Å; M61-V68 HydrophobicContact CE-CG2 4.38Å; M61-Y84 HydrophobicContact CE-CE1 4.38Å; M61-Y84 HydrophobicContact SD-CE1 3.98Å
62	L	90.8	Very high	96.8	Very high	186 Å²	186	67 Å²	67	97%	0.974	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-33	179.1	-67.4	173.3	0	0	0	113.7
63	T	91.4	Very high	96.8	Very high	58 Å²	58	64.2 Å²	64.2	36%	0.356	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15.6	-177.3	65.8	0	0	0	0	113.3	M61 H66 Q92 K95	M61-T63 PolarHBondContact O-N 3.15Å; M61-T63 VanDerWaalsContact O-N 3.1Å; T63-H66 PolarHBondContact OG1-CE1 2.55Å; T63-H66 VanDerWaalsContact OG1-CE1 3.23Å; T63-Q92 WeakPolarHBondContact O-CG 3.39Å; T63-Q92 PolarHBondContact OG1-OE1 3.06Å; T63-K95 PolarHBondContact OG1-NZ 2.87Å
64	G	94.3	Very high	96.8	Very high	20 Å²	20	62.8 Å²	62.8	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.2	-167.5	-179.8	0	0	0	0	0	114.4	M61 H66	M61-G64 PolarHBondContact N-O 2.87Å; M61-G64 PolarHBondContact O-N 3.35Å; G64-H66 PolarHBondContact O-CE1 2.89Å; G64-H66 VanDerWaalsContact O-CE1 3.23Å; G64-H66 PolarHBondContact O-ND1 2.92Å
65	R	96.2	Very high	96.7	Very high	133 Å²	133	66.9 Å²	66.9	50%	0.502	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.3	-174.8	-168.3	175.3	-178.4	177.2	-0.9	111.2	D58 V60 L88	D58-R65 VanDerWaalsContact CG-NE 3.27Å; D58-R65 VanDerWaalsContact OD1-CG 3.23Å; D58-R65 WeakPolarHBondContact OD1-CG 3.28Å; D58-R65 IonicContact OD1-CZ 3.82Å; D58-R65 IonicContact OD1-NE 2.62Å; D58-R65 PolarHBondContact OD1-NE 3.44Å; D58-R65 IonicContact OD1-NH2 3.88Å; D58-R65 IonicContact OD2-CZ 3.12Å; D58-R65 IonicContact OD2-NE 3.97Å; D58-R65 PolarHBondContact OD2-NE 2.85Å; D58-R65 IonicContact OD2-NH2 2.64Å; D58-R65 PolarHBondContact OD2-NH2 3.02Å; V60-R65 HydrophobicContact CG2-CG 4.36Å; R65-L88 HydrophobicContact CB-CD2 4.49Å; R65-L88 PolarHBondContact O-N 3.46Å
66	H	97.9	Very high	96.7	Very high	2 Å²	2	61 Å²	61	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.6	-175.4	-56.2	73.9	0	0	0	110.8	R59 T63 G64 V68 Y84 F86	R59-H66 PolarHBondContact N-O 3.11Å; R59-H66 PolarHBondContact O-N 2.63Å; T63-H66 PolarHBondContact OG1-CE1 2.55Å; T63-H66 VanDerWaalsContact OG1-CE1 3.23Å; G64-H66 PolarHBondContact O-CE1 2.89Å; G64-H66 VanDerWaalsContact O-CE1 3.23Å; G64-H66 PolarHBondContact O-ND1 2.92Å; H66-V68 HydrophobicContact CB-CG1 3.99Å; H66-Y84 HydrophobicContact CB-CD1 4.01Å; H66-Y84 HydrophobicContact CB-CE1 4.11Å; H66-Y84 AromaticContact CD2-CD1 3.57Å; H66-Y84 AromaticContact CD2-CE1 3.5Å; H66-Y84 VanDerWaalsContact CD2-CE1 3.5Å; H66-Y84 WeakPolarHBondContact CD2-CE1 3.24Å; H66-Y84 AromaticContact CG-CD1 3.99Å; H66-Y84 AromaticContact CG-CE1 3.8Å; H66-F86 CarbonylContact C-O 3.57Å; H66-F86 WeakPolarHBondContact CA-O 3.46Å
67	M	98.1	Very high	96.7	Very high	83 Å²	83	63.6 Å²	63.6	41%	0.409	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	161.8	-61.2	-176.5	-179.3	0	0	108.3	V56 Q57 E85 F86	V56-M67 HydrophobicContact CG1-CB 3.86Å; V56-M67 HydrophobicContact CG1-CG 4.42Å; Q57-M67 WeakPolarHBondContact O-CA 3.38Å; M67-E85 HydrophobicContact CB-CB 4.22Å; M67-E85 WeakPolarHBondContact O-CB 3.39Å; M67-E85 PolarHBondContact O-N 2.77Å; M67-F86 HydrophobicContact CB-CB 4.07Å; M67-F86 HydrophobicContact CG-CB 4.32Å; M67-F86 PolarHBondContact N-O 2.96Å; M67-F86 PolarHBondContact O-N 3.28Å; M67-F86 HydrophobicContact SD-CB 4.3Å
68	V	98.2	Very high	96.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.9	-176.4	-58	0	0	0	0	111.4	Q57 R59 M61 H66 W82 M83 Y84	Q57-V68 PolarHBondContact N-O 2.85Å; Q57-V68 PolarHBondContact O-N 2.82Å; R59-V68 HydrophobicContact CB-CG2 4.32Å; R59-V68 HydrophobicContact CG-CG2 3.83Å; M61-V68 HydrophobicContact CE-CG1 3.9Å; M61-V68 HydrophobicContact CE-CG2 4.38Å; H66-V68 HydrophobicContact CB-CG1 3.99Å; V68-W82 HydrophobicContact CB-CB 4.49Å; V68-M83 CarbonylContact C-O 3.59Å; V68-M83 WeakPolarHBondContact CA-O 3.13Å; V68-M83 VanDerWaalsContact CB-O 3.28Å; V68-M83 WeakPolarHBondContact CB-O 3.35Å; V68-Y84 HydrophobicContact CG1-CD1 3.72Å; V68-Y84 HydrophobicContact CG1-CE1 4.04Å; V68-Y84 HydrophobicContact CG1-CG 4.38Å
69	R	98.5	Very high	96.8	Very high	74 Å²	74	63.2 Å²	63.2	28%	0.279	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132	168.4	-67.8	-176.9	-174.7	-100.5	4.5	109.5	G54 V56 W82 M83 E85	G54-R69 WeakPolarHBondContact O-CD 3.27Å; G54-R69 PolarHBondContact O-NH1 2.8Å; V56-R69 HydrophobicContact CG2-CG 4.05Å; R69-W82 CarbonylContact O-C 3.5Å; R69-W82 WeakPolarHBondContact O-CA 3.3Å; R69-W82 VanDerWaalsContact O-CB 3.25Å; R69-W82 WeakPolarHBondContact O-CB 3.43Å; R69-M83 PolarHBondContact N-O 2.96Å; R69-M83 PolarHBondContact O-N 2.81Å; R69-E85 WeakPolarHBondContact CD-OE1 3.39Å; R69-E85 HydrophobicContact CG-CG 3.96Å; R69-E85 IonicContact CZ-OE1 3.68Å; R69-E85 IonicContact NE-OE1 3.93Å; R69-E85 PolarHBondContact NE-OE1 2.81Å; R69-E85 IonicContact NH2-OE1 3.31Å
70	D	98.4	Very high	96.9	Very high	28 Å²	28	60.6 Å²	60.6	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	141.1	166.9	-77	-20.3	0	0	0	109.9	G54 R59 K79	G54-D70 PolarHBondContact N-O 2.93Å; R59-D70 IonicContact CZ-OD1 2.67Å; R59-D70 VanDerWaalsContact CZ-OD1 3.31Å; R59-D70 IonicContact NH1-OD1 2.63Å; R59-D70 PolarHBondContact NH1-OD1 2.97Å; R59-D70 IonicContact NH2-OD1 3.72Å; R59-D70 PolarHBondContact NH2-OD1 3.28Å; R59-D70 IonicContact NH2-OD2 2.71Å; R59-D70 PolarHBondContact NH2-OD2 3.34Å; D70-K79 HydrophobicContact CB-CD 4.37Å; D70-K79 WeakPolarHBondContact OD1-CE 3.47Å; D70-K79 IonicContact OD1-NZ 3.57Å; D70-K79 PolarHBondContact OD1-NZ 2.95Å; D70-K79 WeakPolarHBondContact OD2-CE 3.31Å; D70-K79 IonicContact OD2-NZ 3.51Å; D70-K79 PolarHBondContact OD2-NZ 3.4Å
71	V	98.8	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.6	176	-60.9	0	0	0	0	110.4	L51 D52 L80 G81 M83 V99 L101	L51-V71 HydrophobicContact CB-CB 4.38Å; L51-V71 HydrophobicContact CD1-CB 3.88Å; L51-V71 HydrophobicContact CD1-CG1 4.12Å; L51-V71 HydrophobicContact CD1-CG2 4Å; L51-V71 HydrophobicContact CD2-CB 4.19Å; L51-V71 HydrophobicContact CD2-CG2 4.26Å; L51-V71 HydrophobicContact CG-CB 4.38Å; D52-V71 WeakPolarHBondContact O-CA 3.5Å; V71-L80 PolarHBondContact O-N 2.86Å; V71-G81 PolarHBondContact N-O 2.62Å; V71-G81 PolarHBondContact O-N 2.83Å; V71-M83 HydrophobicContact CG1-CB 4.03Å; V71-V99 HydrophobicContact CG2-CG1 3.83Å; V71-L101 HydrophobicContact CG2-CD2 4.27Å
72	S	98.6	Very high	97.3	Very high	29 Å²	29	53.6 Å²	53.6	20%	0.203	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.6	-178.8	-65	0	0	0	0	110.8	L51 D52 K74 I78 K79	L51-S72 CarbonylContact C-O 3.57Å; L51-S72 VanDerWaalsContact CA-O 3.28Å; L51-S72 WeakPolarHBondContact CA-O 3.48Å; D52-S72 PolarHBondContact N-O 2.82Å; D52-S72 PolarHBondContact O-N 3.33Å; S72-K74 PolarHBondContact O-N 2.76Å; S72-I78 CarbonylContact C-O 3.49Å; S72-I78 VanDerWaalsContact CA-O 3.24Å; S72-I78 WeakPolarHBondContact CA-O 3.27Å; S72-K79 WeakPolarHBondContact OG-CA 3.29Å
73	C	98.6	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	125.4	174.5	176.2	0	0	0	0	110.8	C20 I22 K75 C76 K77 I78 L80	C20-C73 PolarHBondContact SG-SG 3.17Å; I22-C73 WeakPolarHBondContact CG2-SG 3.24Å; C73-K75 PolarHBondContact O-N 2.98Å; C73-K75 VanDerWaalsContact O-N 3.11Å; C73-K75 PolarHBondContact SG-N 3.43Å; C73-K75 VanDerWaalsContact SG-N 3.44Å; C73-C76 VanDerWaalsContact CB-SG 3.56Å; C73-C76 PolarHBondContact SG-N 2.75Å; C73-K77 WeakPolarHBondContact O-CA 3.06Å; C73-K77 PolarHBondContact O-N 2.89Å; C73-I78 PolarHBondContact N-O 3.2Å; C73-L80 HydrophobicContact CB-CD1 3.95Å; C73-L80 HydrophobicContact CB-CG 4.36Å
74	K	97.6	Very high	97.9	Very high	62 Å²	62	43.8 Å²	43.8	27%	0.27	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.1	179.7	-167.2	-177.2	-174	179.2	0	113.5	L4 F5 N50 S72 K77	L4-K74 HydrophobicContact CD1-CD 3.87Å; L4-K74 HydrophobicContact CD1-CG 3.89Å; F5-K74 PolarHBondContact O-NZ 3.48Å; N50-K74 VanDerWaalsContact C-CB 3.5Å; N50-K74 WeakPolarHBondContact O-CB 3.18Å; N50-K74 PolarHBondContact O-N 3.45Å; S72-K74 PolarHBondContact O-N 2.76Å; K74-K77 PolarHBondContact O-NZ 3.09Å
75	K	97.2	Very high	98.1	Very high	119 Å²	119	46.6 Å²	46.6	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-60.3	-179.5	-178.8	179	171.7	-165.8	0	112.8	L4 C20 I22 C73	L4-K75 HydrophobicContact CD2-CB 4.44Å; C20-K75 HydrophobicContact CB-CD 4.1Å; C20-K75 PolarHBondContact O-NZ 3.23Å; I22-K75 HydrophobicContact CD1-CB 3.79Å; I22-K75 HydrophobicContact CD1-CD 4.42Å; C73-K75 PolarHBondContact O-N 2.98Å; C73-K75 VanDerWaalsContact O-N 3.11Å; C73-K75 PolarHBondContact SG-N 3.43Å; C73-K75 VanDerWaalsContact SG-N 3.44Å
76	C	97.5	Very high	98.2	Very high	36 Å²	36	44.4 Å²	44.4	24%	0.243	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-2.2	-174	70.3	0	0	0	0	115	N19 C20 C73 I78	N19-C76 WeakPolarHBondContact ND2-CB 3.36Å; C20-C76 HydrophobicContact CB-CB 3.99Å; C20-C76 VanDerWaalsContact SG-SG 3.66Å; C73-C76 VanDerWaalsContact CB-SG 3.56Å; C73-C76 PolarHBondContact SG-N 2.75Å; C76-I78 PolarHBondContact O-N 3.4Å
77	K	97.8	Very high	98.1	Very high	123 Å²	123	44.3 Å²	44.3	54%	0.535	21%	0.206	S	C	.	.			trans	63.5	6.5	177.3	-48.2	-52	-171.5	-172.3	0	116.1	D52 C73 K74 K79	D52-K77 IonicContact OD1-NZ 3.86Å; D52-K77 WeakPolarHBondContact OD2-CD 3.43Å; D52-K77 IonicContact OD2-NZ 2.79Å; D52-K77 PolarHBondContact OD2-NZ 2.73Å; C73-K77 WeakPolarHBondContact O-CA 3.06Å; C73-K77 PolarHBondContact O-N 2.89Å; K74-K77 PolarHBondContact O-NZ 3.09Å; K77-K79 PolarHBondContact O-N 3.44Å
78	I	98.2	Very high	97.9	Very high	62 Å²	62	45.7 Å²	45.7	32%	0.318	22%	0.215	S	C	.	.			trans	-65.3	131.4	172.8	-67.8	176.8	0	0	0	109.4	N19 S72 C73 C76 L80	N19-I78 HydrophobicContact CB-CD1 3.42Å; N19-I78 VanDerWaalsContact CB-CD1 3.42Å; N19-I78 WeakPolarHBondContact OD1-CD1 3.42Å; S72-I78 CarbonylContact C-O 3.49Å; S72-I78 VanDerWaalsContact CA-O 3.24Å; S72-I78 WeakPolarHBondContact CA-O 3.27Å; C73-I78 PolarHBondContact N-O 3.2Å; C76-I78 PolarHBondContact O-N 3.4Å; I78-L80 HydrophobicContact CG2-CD2 4.39Å; I78-L80 PolarHBondContact O-N 3.45Å
79	K	98.4	Very high	97.8	Very high	88 Å²	88	49 Å²	49	38%	0.383	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	127.3	172.1	177.8	175.3	172.5	172.2	0	109.4	D70 S72 K77 L105	D70-K79 HydrophobicContact CB-CD 4.37Å; D70-K79 WeakPolarHBondContact OD1-CE 3.47Å; D70-K79 IonicContact OD1-NZ 3.57Å; D70-K79 PolarHBondContact OD1-NZ 2.95Å; D70-K79 WeakPolarHBondContact OD2-CE 3.31Å; D70-K79 IonicContact OD2-NZ 3.51Å; D70-K79 PolarHBondContact OD2-NZ 3.4Å; S72-K79 WeakPolarHBondContact OG-CA 3.29Å; K77-K79 PolarHBondContact O-N 3.44Å; K79-L105 VanDerWaalsContact O-CD1 3.25Å; K79-L105 WeakPolarHBondContact O-CD1 3.13Å
80	L	98.7	Very high	97.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-20.8	-177.8	-59.8	174.1	0	0	0	112.8	L24 L51 V71 C73 I78 L101 E102 L105	L24-L80 HydrophobicContact CD1-CD1 3.6Å; L24-L80 HydrophobicContact CD2-CD1 3.84Å; L24-L80 HydrophobicContact CG-CD1 4.39Å; L51-L80 HydrophobicContact CD2-CD1 3.86Å; V71-L80 PolarHBondContact O-N 2.86Å; C73-L80 HydrophobicContact CB-CD1 3.95Å; C73-L80 HydrophobicContact CB-CG 4.36Å; I78-L80 HydrophobicContact CG2-CD2 4.39Å; I78-L80 PolarHBondContact O-N 3.45Å; L80-L101 HydrophobicContact CB-CD2 3.83Å; L80-E102 PolarHBondContact O-N 3.48Å; L80-L105 HydrophobicContact CD2-CB 3.96Å; L80-L105 WeakPolarHBondContact CD2-O 3.28Å
81	G	98.6	Very high	97.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-138.5	179.7	0	0	0	0	0	111.6	V71 I100	V71-G81 PolarHBondContact N-O 2.62Å; V71-G81 PolarHBondContact O-N 2.83Å; G81-I100 VanDerWaalsContact CA-O 3.3Å; G81-I100 WeakPolarHBondContact CA-O 3.22Å
82	W	98.6	Very high	97.4	Very high	21 Å²	21	57.7 Å²	57.7	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157.4	179.3	63.6	91.1	0	0	0	113	V68 R69 Y84 I100	V68-W82 HydrophobicContact CB-CB 4.49Å; R69-W82 CarbonylContact O-C 3.5Å; R69-W82 WeakPolarHBondContact O-CA 3.3Å; R69-W82 VanDerWaalsContact O-CB 3.25Å; R69-W82 WeakPolarHBondContact O-CB 3.43Å; W82-Y84 AromaticContact NE1-CE2 3.72Å; W82-Y84 AromaticContact NE1-CZ 3.52Å; W82-I100 HydrophobicContact CD2-CB 4.25Å; W82-I100 HydrophobicContact CD2-CG2 4.38Å; W82-I100 HydrophobicContact CE3-CG2 4.35Å; W82-I100 HydrophobicContact CH2-CD1 4.46Å; W82-I100 HydrophobicContact CH2-CG2 3.82Å; W82-I100 HydrophobicContact CZ2-CB 4.15Å; W82-I100 HydrophobicContact CZ2-CD1 3.62Å; W82-I100 HydrophobicContact CZ2-CG1 4.43Å; W82-I100 HydrophobicContact CZ2-CG2 3.86Å; W82-I100 HydrophobicContact CZ3-CG2 4.07Å; W82-I100 PolarHBondContact N-O 3.12Å; W82-I100 VanDerWaalsContact N-O 3.07Å; W82-I100 PolarHBondContact O-N 2.67Å
83	M	98.6	Very high	97.3	Very high	34 Å²	34	62.6 Å²	62.6	17%	0.167	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.8	171.3	178.5	-178	-90.1	0	0	109.9	V68 R69 V71 R98 V99	V68-M83 CarbonylContact C-O 3.59Å; V68-M83 WeakPolarHBondContact CA-O 3.13Å; V68-M83 VanDerWaalsContact CB-O 3.28Å; V68-M83 WeakPolarHBondContact CB-O 3.35Å; R69-M83 PolarHBondContact N-O 2.96Å; R69-M83 PolarHBondContact O-N 2.81Å; V71-M83 HydrophobicContact CG1-CB 4.03Å; M83-R98 WeakPolarHBondContact CA-O 3.5Å; M83-V99 HydrophobicContact CB-CG2 4.13Å; M83-V99 HydrophobicContact CE-CG2 3.47Å; M83-V99 VanDerWaalsContact CE-CG2 3.47Å; M83-V99 HydrophobicContact CG-CG2 4.17Å
84	Y	98.2	Very high	97.2	Very high	5 Å²	5	67.7 Å²	67.7	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.7	168.9	-68.3	-85.3	0	0	0	110.2	L44 M61 H66 V68 W82 K95 G97 R98 I100	L44-Y84 HydrophobicContact CD1-CD2 4.42Å; L44-Y84 HydrophobicContact CD1-CE2 4.31Å; M61-Y84 HydrophobicContact CE-CE1 4.38Å; M61-Y84 HydrophobicContact SD-CE1 3.98Å; H66-Y84 HydrophobicContact CB-CD1 4.01Å; H66-Y84 HydrophobicContact CB-CE1 4.11Å; H66-Y84 AromaticContact CD2-CD1 3.57Å; H66-Y84 AromaticContact CD2-CE1 3.5Å; H66-Y84 VanDerWaalsContact CD2-CE1 3.5Å; H66-Y84 WeakPolarHBondContact CD2-CE1 3.24Å; H66-Y84 AromaticContact CG-CD1 3.99Å; H66-Y84 AromaticContact CG-CE1 3.8Å; V68-Y84 HydrophobicContact CG1-CD1 3.72Å; V68-Y84 HydrophobicContact CG1-CE1 4.04Å; V68-Y84 HydrophobicContact CG1-CG 4.38Å; W82-Y84 AromaticContact NE1-CE2 3.72Å; W82-Y84 AromaticContact NE1-CZ 3.52Å; Y84-K95 WeakPolarHBondContact CB-O 3.25Å; Y84-K95 HydrophobicContact CD1-CB 4.27Å; Y84-K95 HydrophobicContact CD1-CD 4.46Å; Y84-K95 HydrophobicContact CD2-CB 3.76Å; Y84-K95 HydrophobicContact CD2-CG 4.47Å; Y84-K95 HydrophobicContact CE1-CD 4.11Å; Y84-K95 HydrophobicContact CE2-CB 4.17Å; Y84-K95 HydrophobicContact CE2-CD 4.13Å; Y84-K95 HydrophobicContact CE2-CG 4.41Å; Y84-K95 HydrophobicContact CG-CB 3.81Å; Y84-G97 PolarHBondContact O-N 3.07Å; Y84-R98 PolarHBondContact N-O 2.84Å; Y84-I100 HydrophobicContact CE2-CD1 3.63Å; Y84-I100 HydrophobicContact CE2-CG1 3.94Å
85	E	97.6	Very high	97.2	Very high	79 Å²	79	64.8 Å²	64.8	37%	0.369	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-48.1	172.6	-74.1	-76.6	-176.5	0	0	110.4	M67 R69	M67-E85 HydrophobicContact CB-CB 4.22Å; M67-E85 WeakPolarHBondContact O-CB 3.39Å; M67-E85 PolarHBondContact O-N 2.77Å; R69-E85 WeakPolarHBondContact CD-OE1 3.39Å; R69-E85 HydrophobicContact CG-CG 3.96Å; R69-E85 IonicContact CZ-OE1 3.68Å; R69-E85 IonicContact NE-OE1 3.93Å; R69-E85 PolarHBondContact NE-OE1 2.81Å; R69-E85 IonicContact NH2-OE1 3.31Å
86	F	97.7	Very high	97.3	Very high	86 Å²	86	61.3 Å²	61.3	38%	0.377	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.3	-175.5	-176.6	-103.5	0	0	0	111.2	H66 M67 L88 E96	H66-F86 CarbonylContact C-O 3.57Å; H66-F86 WeakPolarHBondContact CA-O 3.46Å; M67-F86 HydrophobicContact CB-CB 4.07Å; M67-F86 HydrophobicContact CG-CB 4.32Å; M67-F86 PolarHBondContact N-O 2.96Å; M67-F86 PolarHBondContact O-N 3.28Å; M67-F86 HydrophobicContact SD-CB 4.3Å; F86-L88 HydrophobicContact CE1-CD1 4.26Å; F86-E96 VanDerWaalsContact CD2-OE1 3.29Å; F86-E96 WeakPolarHBondContact CD2-OE1 3.45Å
87	A	96.7	Very high	97.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.9	171.6	0	0	0	0	0	109.6	D89 Q92 E96	A87-D89 VanDerWaalsContact C-N 3.35Å; A87-Q92 HydrophobicContact CB-CB 3.81Å; A87-E96 HydrophobicContact CB-CG 4.37Å; A87-E96 PolarHBondContact N-OE1 3.23Å
88	L	94.3	Very high	97.3	Very high	113 Å²	113	58.9 Å²	58.9	59%	0.592	29%	0.288	S	S	*	.	S	Bend	trans	-68.2	-37.9	-178.4	-172.6	65.1	0	0	0	112.1	R65 F86	R65-L88 HydrophobicContact CB-CD2 4.49Å; R65-L88 PolarHBondContact O-N 3.46Å; F86-L88 HydrophobicContact CE1-CD1 4.26Å
89	D	95	Very high	97.3	Very high	69 Å²	69	56 Å²	56	37%	0.369	27%	0.273	S	S	.	.	S	Bend	trans	-85.7	129.8	-178.3	-60.5	-50.1	0	0	0	111.2	A87 S91 Q92 R93	A87-D89 VanDerWaalsContact C-N 3.35Å; D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.46Å; D89-Q92 HydrophobicContact CB-CB 4.4Å; D89-Q92 HydrophobicContact CB-CG 3.98Å; D89-Q92 WeakPolarHBondContact O-CA 3.2Å; D89-Q92 WeakPolarHBondContact O-CB 3.33Å; D89-Q92 PolarHBondContact O-N 2.99Å; D89-R93 PolarHBondContact O-N 2.65Å
90	E	94.7	Very high	97.3	Very high	167 Å²	167	51.8 Å²	51.8	78%	0.78	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-57.6	-39.4	-176.5	-169.8	172.1	-168.2	0	0	112.7	Q92 R93	E90-Q92 PolarHBondContact O-N 3.02Å; E90-Q92 VanDerWaalsContact O-N 3.08Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 3.24Å; E90-R93 VanDerWaalsContact O-N 3.15Å
91	S	96.1	Very high	97.3	Very high	88 Å²	88	51.7 Å²	51.7	62%	0.615	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-62.2	-16.6	176.7	70.2	0	0	0	0	114.1	D89 Y94	D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.46Å; S91-Y94 VanDerWaalsContact O-CD1 3.28Å; S91-Y94 WeakPolarHBondContact O-CD1 3.32Å; S91-Y94 WeakPolarHBondContact O-CE1 3.4Å
92	Q	96.8	Very high	97.3	Very high	29 Å²	29	52 Å²	52	14%	0.136	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-103.1	-5.7	-178.1	-56.6	-54.6	-53.3	0	0	113	T63 A87 D89 E90 Y94 K95	T63-Q92 WeakPolarHBondContact O-CG 3.39Å; T63-Q92 PolarHBondContact OG1-OE1 3.06Å; A87-Q92 HydrophobicContact CB-CB 3.81Å; D89-Q92 HydrophobicContact CB-CB 4.4Å; D89-Q92 HydrophobicContact CB-CG 3.98Å; D89-Q92 WeakPolarHBondContact O-CA 3.2Å; D89-Q92 WeakPolarHBondContact O-CB 3.33Å; D89-Q92 PolarHBondContact O-N 2.99Å; E90-Q92 PolarHBondContact O-N 3.02Å; E90-Q92 VanDerWaalsContact O-N 3.08Å; Q92-Y94 PolarHBondContact O-N 2.98Å; Q92-Y94 VanDerWaalsContact O-N 3.12Å; Q92-K95 WeakPolarHBondContact O-CB 3.21Å; Q92-K95 WeakPolarHBondContact O-CG 3.11Å; Q92-K95 PolarHBondContact O-N 3.13Å
93	R	96.7	Very high	97.3	Very high	132 Å²	132	58.3 Å²	58.3	50%	0.498	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21	-178	-68.1	-169.9	70.4	-177.1	1.4	114.3	D89 E90 K95 E96	D89-R93 PolarHBondContact O-N 2.65Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 3.24Å; E90-R93 VanDerWaalsContact O-N 3.15Å; R93-K95 PolarHBondContact O-N 2.73Å; R93-E96 IonicContact CZ-OE2 3.11Å; R93-E96 IonicContact NE-OE1 2.87Å; R93-E96 IonicContact NE-OE2 2.9Å; R93-E96 PolarHBondContact NE-OE2 2.8Å; R93-E96 VanDerWaalsContact NE-OE2 3.11Å; R93-E96 IonicContact NH2-OE2 3.69Å; R93-E96 PolarHBondContact NH2-OE2 3.33Å; R93-E96 WeakPolarHBondContact O-CB 3.44Å; R93-E96 WeakPolarHBondContact O-CG 3.44Å; R93-E96 PolarHBondContact O-N 2.71Å
94	Y	96.8	Very high	97.3	Very high	107 Å²	107	59.7 Å²	59.7	42%	0.42	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.3	-20	171.9	78.4	-87.8	0	0	0	112.6	L44 S91 Q92 R98	L44-Y94 HydrophobicContact CD2-CE2 4.13Å; S91-Y94 VanDerWaalsContact O-CD1 3.28Å; S91-Y94 WeakPolarHBondContact O-CD1 3.32Å; S91-Y94 WeakPolarHBondContact O-CE1 3.4Å; Q92-Y94 PolarHBondContact O-N 2.98Å; Q92-Y94 VanDerWaalsContact O-N 3.12Å; Y94-R98 WeakPolarHBondContact O-CD 3.13Å; Y94-R98 PolarHBondContact O-NE 2.92Å; Y94-R98 PolarHBondContact O-NH2 2.8Å; Y94-R98 VanDerWaalsContact O-NH2 3.13Å
95	K	97.5	Very high	97.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-79.5	-23.1	177.4	-63	171.8	177.5	172.8	0	113.4	T63 Y84 Q92 R93 G97 R98	T63-K95 PolarHBondContact OG1-NZ 2.87Å; Y84-K95 WeakPolarHBondContact CB-O 3.25Å; Y84-K95 HydrophobicContact CD1-CB 4.27Å; Y84-K95 HydrophobicContact CD1-CD 4.46Å; Y84-K95 HydrophobicContact CD2-CB 3.76Å; Y84-K95 HydrophobicContact CD2-CG 4.47Å; Y84-K95 HydrophobicContact CE1-CD 4.11Å; Y84-K95 HydrophobicContact CE2-CB 4.17Å; Y84-K95 HydrophobicContact CE2-CD 4.13Å; Y84-K95 HydrophobicContact CE2-CG 4.41Å; Y84-K95 HydrophobicContact CG-CB 3.81Å; Q92-K95 WeakPolarHBondContact O-CB 3.21Å; Q92-K95 WeakPolarHBondContact O-CG 3.11Å; Q92-K95 PolarHBondContact O-N 3.13Å; R93-K95 PolarHBondContact O-N 2.73Å; K95-G97 PolarHBondContact O-N 2.93Å; K95-R98 WeakPolarHBondContact O-CB 3.33Å; K95-R98 PolarHBondContact O-N 3.06Å
96	E	97.9	Very high	97.4	Very high	46 Å²	46	58.7 Å²	58.7	22%	0.215	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.3	-175.9	-64	178.6	163.2	0	0	111	F86 A87 R93 R98	F86-E96 VanDerWaalsContact CD2-OE1 3.29Å; F86-E96 WeakPolarHBondContact CD2-OE1 3.45Å; A87-E96 HydrophobicContact CB-CG 4.37Å; A87-E96 PolarHBondContact N-OE1 3.23Å; R93-E96 IonicContact CZ-OE2 3.11Å; R93-E96 IonicContact NE-OE1 2.87Å; R93-E96 IonicContact NE-OE2 2.9Å; R93-E96 PolarHBondContact NE-OE2 2.8Å; R93-E96 VanDerWaalsContact NE-OE2 3.11Å; R93-E96 IonicContact NH2-OE2 3.69Å; R93-E96 PolarHBondContact NH2-OE2 3.33Å; R93-E96 WeakPolarHBondContact O-CB 3.44Å; R93-E96 WeakPolarHBondContact O-CG 3.44Å; R93-E96 PolarHBondContact O-N 2.71Å; E96-R98 PolarHBondContact O-N 2.79Å
97	G	97.6	Very high	97.4	Very high	45 Å²	45	57.1 Å²	57.1	46%	0.464	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-7.8	-175.2	0	0	0	0	0	115.3	Y84 K95	Y84-G97 PolarHBondContact O-N 3.07Å; K95-G97 PolarHBondContact O-N 2.93Å
98	R	98.5	Very high	97.4	Very high	62 Å²	62	61.5 Å²	61.5	23%	0.234	31%	0.312	C	S	.	.			trans	-93.4	155	-176.9	-55.1	-167.8	-164.5	-157.8	17.9	111.9	L44 F45 N46 M83 Y84 Y94 K95 E96	L44-R98 HydrophobicContact CD1-CB 3.67Å; L44-R98 HydrophobicContact CG-CB 4.16Å; F45-R98 WeakPolarHBondContact O-CA 3.47Å; F45-R98 VanDerWaalsContact O-CB 3.27Å; F45-R98 WeakPolarHBondContact O-CB 3.39Å; N46-R98 VanDerWaalsContact OD1-CZ 3.24Å; N46-R98 PolarHBondContact OD1-NE 3.48Å; N46-R98 PolarHBondContact OD1-NH1 2.86Å; M83-R98 WeakPolarHBondContact CA-O 3.5Å; Y84-R98 PolarHBondContact N-O 2.84Å; Y94-R98 WeakPolarHBondContact O-CD 3.13Å; Y94-R98 PolarHBondContact O-NE 2.92Å; Y94-R98 PolarHBondContact O-NH2 2.8Å; Y94-R98 VanDerWaalsContact O-NH2 3.13Å; K95-R98 WeakPolarHBondContact O-CB 3.33Å; K95-R98 PolarHBondContact O-N 3.06Å; E96-R98 PolarHBondContact O-N 2.79Å
99	V	98.8	Very high	97.6	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.6	-173.8	-175.8	0	0	0	0	110.5	L44 F45 V48 L51 V71 M83 L101	L44-V99 WeakPolarHBondContact CA-O 3.25Å; F45-V99 PolarHBondContact N-O 3.37Å; F45-V99 PolarHBondContact O-N 2.8Å; V48-V99 HydrophobicContact CB-CB 4.19Å; V48-V99 HydrophobicContact CB-CG1 4.28Å; V48-V99 HydrophobicContact CB-CG2 4.19Å; V48-V99 HydrophobicContact CG2-CB 3.65Å; V48-V99 HydrophobicContact CG2-CG1 3.95Å; V48-V99 HydrophobicContact CG2-CG2 4.11Å; L51-V99 HydrophobicContact CD1-CG1 4.1Å; V71-V99 HydrophobicContact CG2-CG1 3.83Å; M83-V99 HydrophobicContact CB-CG2 4.13Å; M83-V99 HydrophobicContact CE-CG2 3.47Å; M83-V99 VanDerWaalsContact CE-CG2 3.47Å; M83-V99 HydrophobicContact CG-CG2 4.17Å; V99-L101 HydrophobicContact CG1-CD2 3.89Å; V99-L101 HydrophobicContact CG1-CG 4.22Å
100	I	98.5	Very high	97.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.1	165	-71.8	-170.3	0	0	0	109.4	F35 A42 F43 L44 G81 W82 Y84	F35-I100 HydrophobicContact CB-CD1 3.91Å; F35-I100 HydrophobicContact CD1-CD1 3.31Å; F35-I100 HydrophobicContact CD1-CG1 4.47Å; F35-I100 HydrophobicContact CE1-CD1 3.9Å; F35-I100 HydrophobicContact CG-CD1 3.7Å; A42-I100 HydrophobicContact CB-CG2 3.56Å; F43-I100 VanDerWaalsContact O-CA 3.27Å; F43-I100 WeakPolarHBondContact O-CA 3.23Å; L44-I100 HydrophobicContact CB-CG1 4.45Å; L44-I100 HydrophobicContact CD1-CD1 4.39Å; L44-I100 HydrophobicContact CD1-CG1 3.66Å; G81-I100 VanDerWaalsContact CA-O 3.3Å; G81-I100 WeakPolarHBondContact CA-O 3.22Å; W82-I100 HydrophobicContact CD2-CB 4.25Å; W82-I100 HydrophobicContact CD2-CG2 4.38Å; W82-I100 HydrophobicContact CE3-CG2 4.35Å; W82-I100 HydrophobicContact CH2-CD1 4.46Å; W82-I100 HydrophobicContact CH2-CG2 3.82Å; W82-I100 HydrophobicContact CZ2-CB 4.15Å; W82-I100 HydrophobicContact CZ2-CD1 3.62Å; W82-I100 HydrophobicContact CZ2-CG1 4.43Å; W82-I100 HydrophobicContact CZ2-CG2 3.86Å; W82-I100 HydrophobicContact CZ3-CG2 4.07Å; W82-I100 PolarHBondContact N-O 3.12Å; W82-I100 VanDerWaalsContact N-O 3.07Å; W82-I100 PolarHBondContact O-N 2.67Å; Y84-I100 HydrophobicContact CE2-CD1 3.63Å; Y84-I100 HydrophobicContact CE2-CG1 3.94Å
101	L	98.8	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.9	167.9	-57.9	176.3	0	0	0	109.6	L24 T25 A42 F43 F45 V48 V71 L80 V99 I106	L24-L101 HydrophobicContact CB-CD1 4.43Å; L24-L101 HydrophobicContact CD1-CD1 4.24Å; T25-L101 HydrophobicContact CG2-CD1 4.26Å; A42-L101 WeakPolarHBondContact CA-O 3.39Å; F43-L101 PolarHBondContact N-O 3.15Å; F43-L101 PolarHBondContact O-N 2.77Å; F45-L101 HydrophobicContact CD2-CB 4.38Å; F45-L101 HydrophobicContact CD2-CD1 4Å; F45-L101 HydrophobicContact CD2-CG 4.14Å; F45-L101 HydrophobicContact CE2-CB 4.09Å; F45-L101 HydrophobicContact CE2-CD1 3.93Å; F45-L101 HydrophobicContact CE2-CG 4.24Å; V48-L101 HydrophobicContact CG1-CD1 3.93Å; V48-L101 HydrophobicContact CG1-CD2 4.47Å; V48-L101 HydrophobicContact CG2-CD1 4.06Å; V48-L101 HydrophobicContact CG2-CG 4.45Å; V71-L101 HydrophobicContact CG2-CD2 4.27Å; L80-L101 HydrophobicContact CB-CD2 3.83Å; V99-L101 HydrophobicContact CG1-CD2 3.89Å; V99-L101 HydrophobicContact CG1-CG 4.22Å; L101-I106 HydrophobicContact CB-CD1 4.02Å; L101-I106 HydrophobicContact CB-CG2 4.11Å; L101-I106 HydrophobicContact CD1-CG2 4.21Å
102	E	98.7	Very high	96.4	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.033	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.5	179.7	-57.9	-168.7	-160.3	0	0	111	A38 T39 A42 L80 A104 L105	A38-E102 PolarHBondContact N-OE1 3.35Å; A38-E102 VanDerWaalsContact N-OE1 3.09Å; A38-E102 PolarHBondContact N-OE2 3.04Å; T39-E102 WeakPolarHBondContact CA-OE2 3.3Å; T39-E102 WeakPolarHBondContact CB-OE2 3.47Å; T39-E102 VanDerWaalsContact CG2-OE2 3.31Å; T39-E102 WeakPolarHBondContact CG2-OE2 3.49Å; T39-E102 PolarHBondContact N-OE2 3.11Å; T39-E102 WeakPolarHBondContact OG1-CB 3.31Å; T39-E102 PolarHBondContact OG1-OE2 2.86Å; A42-E102 HydrophobicContact CB-CG 4.34Å; L80-E102 PolarHBondContact O-N 3.48Å; E102-A104 PolarHBondContact O-N 2.9Å; E102-A104 VanDerWaalsContact O-N 3.15Å; E102-L105 HydrophobicContact CB-CD1 4.07Å; E102-L105 HydrophobicContact CB-CG 4.31Å; E102-L105 PolarHBondContact O-N 3Å
103	R	98.4	Very high	95.3	Very high	153 Å²	153	64.9 Å²	64.9	58%	0.577	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-59.9	-32	-172.9	-168.2	-172.5	91.5	115.6	0.3	112.3	R41 F43 L105	R41-R103 HydrophobicContact CB-CB 4.46Å; R41-R103 WeakPolarHBondContact O-CB 3.43Å; R41-R103 PolarHBondContact O-N 2.99Å; F43-R103 HydrophobicContact CE1-CG 4.47Å; F43-R103 HydrophobicContact CE2-CB 4.45Å; F43-R103 HydrophobicContact CE2-CG 4Å; F43-R103 HydrophobicContact CZ-CB 4.2Å; F43-R103 HydrophobicContact CZ-CG 3.73Å; R103-L105 PolarHBondContact O-N 3.08Å
104	A	98.3	Very high	93.9	Very high	63 Å²	63	64.7 Å²	64.7	52%	0.521	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-69.6	-14.9	179.7	0	0	0	0	0	113.4	T39 E102	T39-A104 HydrophobicContact CG2-CB 4.48Å; T39-A104 WeakPolarHBondContact OG1-CB 3.37Å; E102-A104 PolarHBondContact O-N 2.9Å; E102-A104 VanDerWaalsContact O-N 3.15Å
105	L	98.6	Very high	92.3	Very high	47 Å²	47	66.8 Å²	66.8	25%	0.246	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-112	1.5	-171.7	-55.2	176.6	0	0	0	112.9	A18 T39 K79 L80 E102 R103	A18-L105 WeakPolarHBondContact CB-O 3.36Å; A18-L105 PolarHBondContact N-O 3.17Å; T39-L105 HydrophobicContact CG2-CD1 4.46Å; K79-L105 VanDerWaalsContact O-CD1 3.25Å; K79-L105 WeakPolarHBondContact O-CD1 3.13Å; L80-L105 HydrophobicContact CD2-CB 3.96Å; L80-L105 WeakPolarHBondContact CD2-O 3.28Å; E102-L105 HydrophobicContact CB-CD1 4.07Å; E102-L105 HydrophobicContact CB-CG 4.31Å; E102-L105 PolarHBondContact O-N 3Å; R103-L105 PolarHBondContact O-N 3.08Å
106	I	98.5	Very high	90.4	Very high	15 Å²	15	72.6 Å²	72.6	8%	0.077	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151	178.5	65.1	179.5	0	0	0	111.3	F15 S16 L24 F43 F45 L101	F15-I106 HydrophobicContact CD1-CD1 3.8Å; F15-I106 HydrophobicContact CD1-CG1 4.4Å; F15-I106 HydrophobicContact CE1-CD1 4.39Å; F15-I106 HydrophobicContact CG-CD1 4.47Å; S16-I106 CarbonylContact O-C 3.42Å; S16-I106 WeakPolarHBondContact O-CA 3.44Å; S16-I106 WeakPolarHBondContact O-CB 3.34Å; L24-I106 HydrophobicContact CD1-CG2 3.78Å; F43-I106 HydrophobicContact CD2-CD1 4.08Å; F45-I106 HydrophobicContact CE2-CD1 4.42Å; L101-I106 HydrophobicContact CB-CD1 4.02Å; L101-I106 HydrophobicContact CB-CG2 4.11Å; L101-I106 HydrophobicContact CD1-CG2 4.21Å
107	T	98.3	Very high	88.4	Confident	54 Å²	54	76 Å²	76	33%	0.331	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.9	173.4	47.6	0	0	0	0	109.7	F15 S16 A18	F15-T107 CarbonylContact C-O 3.59Å; F15-T107 VanDerWaalsContact CA-O 3.25Å; F15-T107 WeakPolarHBondContact CA-O 3.37Å; S16-T107 PolarHBondContact N-O 3.31Å; S16-T107 PolarHBondContact O-N 3.01Å; S16-T107 PolarHBondContact O-OG1 3.11Å; A18-T107 HydrophobicContact CB-CG2 3.92Å
108	E	97.6	Very high	86.4	Confident	92 Å²	92	79.9 Å²	79.9	43%	0.43	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.7	172.4	-171.7	171.2	-168.1	0	0	108.3	L14 F15 R27	L14-E108 CarbonylContact O-C 3.49Å; L14-E108 VanDerWaalsContact O-CA 3.3Å; L14-E108 WeakPolarHBondContact O-CA 3.49Å; F15-E108 HydrophobicContact CD1-CB 4.12Å; F15-E108 HydrophobicContact CD1-CG 4.36Å; F15-E108 HydrophobicContact CE1-CB 3.86Å; F15-E108 HydrophobicContact CE1-CG 3.87Å; F15-E108 HydrophobicContact CZ-CG 4.1Å; R27-E108 IonicContact CZ-OE1 2.73Å; R27-E108 IonicContact NH1-OE1 2.93Å; R27-E108 PolarHBondContact NH1-OE1 2.92Å; R27-E108 IonicContact NH1-OE2 2.98Å; R27-E108 PolarHBondContact NH1-OE2 3.23Å
109	S	96.6	Very high	84.4	Confident	54 Å²	54	81.7 Å²	81.7	38%	0.378	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.3	179.4	66.5	0	0	0	0	111.5	R13 L14	R13-S109 WeakPolarHBondContact CA-O 3.29Å; L14-S109 PolarHBondContact N-O 3.04Å; L14-S109 PolarHBondContact O-N 2.88Å
110	E	94.1	Very high	82.1	Confident	174 Å²	174	88.7 Å²	88.7	81%	0.813	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.5	171.1	-63.1	-170.7	164.8	0	0	110.1
111	G	88	Confident	79.8	Confident	18 Å²	18	93.7 Å²	93.7	19%	0.186	52%	0.515	C	S	.	.			trans	-101.8	-160.5	172	0	0	0	0	0	111.2	G11 V12	G11-G111 WeakPolarHBondContact O-CA 3.23Å; V12-G111 PolarHBondContact O-N 3.1Å
112	F	79.5	Confident	77.3	Confident	177 Å²	177	99.7 Å²	99.7	78%	0.776	55%	0.552	S	S	*	*			trans	-106	142.8	-179.4	-58	-83.5	0	0	0	110.2	G11 E114	G11-F112 PolarHBondContact O-N 2.87Å; F112-E114 PolarHBondContact O-N 2.92Å
113	V	73.8	Confident	74.9	Confident	113 Å²	113	104.8 Å²	104.8	69%	0.685	59%	0.588	S	S	*	*			trans	-71.8	120.6	172	-166.9	0	0	0	0	107.3	V12 N115	V12-V113 HydrophobicContact CG1-CG2 4.5Å; V113-N115 PolarHBondContact O-N 2.77Å; V113-N115 VanDerWaalsContact O-N 3.17Å
114	E	66.8	Low	72.8	Confident	129 Å²	129	103.9 Å²	103.9	60%	0.603	59%	0.594	S	S	*	*			trans	-67.2	114.7	169.8	-68.9	179.7	179	0	0	107.1	F112 V116	F112-E114 PolarHBondContact O-N 2.92Å; E114-V116 PolarHBondContact O-N 2.85Å
115	N	62.8	Low	70.4	Confident	151 Å²	151	110.1 Å²	110.1	81%	0.807	61%	0.614	S	S	*	*			trans	-66.2	90.8	169.5	-70.2	-40.6	0	0	0	107	V113 V117	V113-N115 PolarHBondContact O-N 2.77Å; V113-N115 VanDerWaalsContact O-N 3.17Å; N115-V117 PolarHBondContact O-N 3.49Å
116	V	58.4	Low	68.3	Low	123 Å²	123	112.8 Å²	112.8	75%	0.745	64%	0.637	S	S	*	*			trans	-64.6	105.7	170	-177.6	0	0	0	0	106	E114 D118	E114-V116 PolarHBondContact O-N 2.85Å; V116-D118 VanDerWaalsContact C-N 3.35Å; V116-D118 PolarHBondContact O-N 2.88Å
117	V	56.7	Low	65.7	Low	119 Å²	119	117.4 Å²	117.4	72%	0.721	67%	0.67	S	S	*	*			trans	-69.2	101.4	167.2	-175.3	0	0	0	0	105.6	N115 S119	N115-V117 PolarHBondContact O-N 3.49Å; V117-S119 PolarHBondContact O-N 2.86Å; V117-S119 PolarHBondContact O-OG 3.23Å
118	D	54.5	Low	63.5	Low	126 Å²	126	127.7 Å²	127.7	67%	0.674	72%	0.715	S	S	*	*			trans	-56.6	110.8	177.1	-154.2	-0.9	0	0	0	108.1	V116 D120	V116-D118 VanDerWaalsContact C-N 3.35Å; V116-D118 PolarHBondContact O-N 2.88Å; D118-D120 PolarHBondContact O-N 3.22Å
119	S	56.7	Low	61.8	Low	100 Å²	100	129.5 Å²	129.5	70%	0.699	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	6.4	-170	-61.7	0	0	0	0	113	V117	V117-S119 PolarHBondContact O-N 2.86Å; V117-S119 PolarHBondContact O-OG 3.23Å
120	D	51.1	Low	60	Low	147 Å²	147	133.4 Å²	133.4	79%	0.786	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	6.5	-167.8	-78.8	-3.8	0	0	0	115.4	D118 V122	D118-D120 PolarHBondContact O-N 3.22Å; D120-V122 PolarHBondContact O-N 3.22Å
121	S	50	Low	58.1	Low	105 Å²	105	131.2 Å²	131.2	73%	0.734	74%	0.744	S	S	*	*			trans	-101.6	55.4	173.1	74.3	0	0	0	0	113.1
122	V	46.3	Very low	56.3	Low	126 Å²	126	137.8 Å²	137.8	76%	0.764	78%	0.777	S	S	*	*			trans	-118.8	61.9	160.9	-168	0	0	0	0	109.2	D120 I124	D120-V122 PolarHBondContact O-N 3.22Å; V122-I124 VanDerWaalsContact C-N 3.34Å; V122-I124 PolarHBondContact O-N 2.88Å
123	S	49	Very low	54.9	Low	114 Å²	114	135.4 Å²	135.4	80%	0.797	78%	0.777	S	S	*	*			trans	-83.8	87.3	163.7	51.5	0	0	0	0	109.3	M125	S123-M125 PolarHBondContact O-N 2.87Å
124	I	53.2	Low	53.6	Low	135 Å²	135	136.9 Å²	136.9	69%	0.692	78%	0.783	S	S	*	*			trans	-9.7	111	160.3	-55.7	164.3	0	0	0	114.7	V122 S126	V122-I124 VanDerWaalsContact C-N 3.34Å; V122-I124 PolarHBondContact O-N 2.88Å; I124-S126 PolarHBondContact O-N 2.9Å
125	M	48.3	Very low	52.7	Low	193 Å²	193	137.4 Å²	137.4	95%	0.951	80%	0.795	S	S	*	*			trans	-82.8	89.5	154.6	-69.6	-169.5	-170.9	0	0	108.2	S123 S127	S123-M125 PolarHBondContact O-N 2.87Å; M125-S127 PolarHBondContact O-N 2.64Å
126	S	53.3	Low	51.9	Low	104 Å²	104	136.4 Å²	136.4	73%	0.727	80%	0.795	S	S	*	*			trans	-81.8	100	168.3	23.3	0	0	0	0	108.6	I124	I124-S126 PolarHBondContact O-N 2.9Å
127	S	44.9	Very low	51.3	Low	111 Å²	111	137.5 Å²	137.5	78%	0.776	80%	0.799	S	S	*	*			trans	-62.4	122.2	164.3	51.5	0	0	0	0	111.1	M125	M125-S127 PolarHBondContact O-N 2.64Å
128	Q	52.3	Low	50.9	Low	270 Å²	270	139.2 Å²	139.2	100%	1.262	81%	0.806	S	S	*	*			trans	-142.6	0	138.7	-71.8	-165.1	18.8	0	0	108.3

Retrieved 128 of 128 residues in 97.5 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).