X5J4R5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4R5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4R5_MOUSE|X5J4R5
AELVKPGASVKLSCTASGFNIKDYYMHWVKQRTEQGLEWIGRIDPEDGETKYAPKSQGKATITADTSSNTAYLQLSSLTSEDTAVYYCARATVVARDWFAYWGQGTLVTVSA
					

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	A	81.4	Confident	94.1	Very high	108 Å²	108	74.9 Å²	74.9	89%	0.893	45%	0.452	S	S	*	.				0	138.8	0	0	0	0	0	0	108	L107	A1-L107 CarbonylContact C-O 3.5Å; A1-L107 WeakPolarHBondContact CA-O 3.34Å; A1-L107 HydrophobicContact CB-CB 4.06Å
2	E	89.1	Confident	94.4	Very high	77 Å²	77	69.3 Å²	69.3	36%	0.36	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.9	-174.8	-163	171	159.6	0	0	109.9	V4 V10 L107 V108 T109	E2-V4 HydrophobicContact CG-CG1 4.02Å; E2-V10 HydrophobicContact CG-CG2 4.47Å; E2-V10 VanDerWaalsContact OE1-CG2 3.23Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.33Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; E2-L107 PolarHBondContact N-O 3.11Å; E2-V108 CarbonylContact O-C 3.51Å; E2-V108 WeakPolarHBondContact O-CA 3.3Å; E2-T109 PolarHBondContact O-N 2.62Å
3	L	94.6	Very high	94.7	Very high	123 Å²	123	70.1 Å²	70.1	64%	0.644	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	121.5	178.5	-179.7	65.2	0	0	0	108.7	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.38Å; L3-T109 HydrophobicContact CD1-CG2 3.67Å; L3-S111 WeakPolarHBondContact CD1-OG 3.39Å
4	V	95.7	Very high	94.9	Very high	19 Å²	19	66.4 Å²	66.4	12%	0.115	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.4	-174.9	-62.2	0	0	0	0	111.4	E2 A8 L78 V108 T109 V110 S111	E2-V4 HydrophobicContact CG-CG1 4.02Å; V4-A8 HydrophobicContact CB-CB 4.14Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; V4-V108 HydrophobicContact CG2-CG1 4.26Å; V4-T109 PolarHBondContact N-O 2.91Å; V4-V110 HydrophobicContact CG2-CB 4.43Å; V4-V110 HydrophobicContact CG2-CG1 4.47Å; V4-V110 HydrophobicContact CG2-CG2 3.87Å; V4-V110 WeakPolarHBondContact O-CA 3.33Å; V4-S111 PolarHBondContact O-N 2.62Å
5	K	95.8	Very high	95	Very high	148 Å²	148	68.1 Å²	68.1	64%	0.643	42%	0.417	S	S	*	.			trans	-81.6	152.9	175.3	-66.3	-176.4	177.8	-176.3	0	111.1	A8	K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	96.7	Very high	94.9	Very high	75 Å²	75	64.4 Å²	64.4	49%	0.487	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	140.4	169.6	-25.1	33.8	0	0	0	112.1	A8 L78 V110 S111	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.37Å; P6-L78 CarbonylContact C-O 3.52Å; P6-L78 WeakPolarHBondContact CA-O 3.35Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.19Å; P6-S111 WeakPolarHBondContact CD-O 3.29Å
7	G	94.9	Very high	94.8	Very high	53 Å²	53	67.1 Å²	67.1	55%	0.546	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-12	-175.3	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.87Å
8	A	95.9	Very high	94.6	Very high	34 Å²	34	68.1 Å²	68.1	28%	0.281	44%	0.443	S	S	.	.			trans	-68.4	166.7	175.6	0	0	0	0	0	112.2	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.14Å; K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.37Å; A8-S77 PolarHBondContact O-N 3.25Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 WeakPolarHBondContact O-CG 2.96Å; A8-L78 PolarHBondContact O-N 2.88Å
9	S	96.6	Very high	94.3	Very high	69 Å²	69	66.6 Å²	66.6	48%	0.483	43%	0.429	S	S	.	.			trans	-120.6	143.4	173	-58.4	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.47Å; S9-S76 WeakPolarHBondContact OG-CA 3.39Å
10	V	96.9	Very high	94.3	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.012	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.8	178.9	65.3	0	0	0	0	110.7	E2 L12 Q74 L75 L78 V108	E2-V10 HydrophobicContact CG-CG2 4.47Å; E2-V10 VanDerWaalsContact OE1-CG2 3.23Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.33Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; V10-L12 HydrophobicContact CG2-CD2 3.72Å; V10-L12 HydrophobicContact CG2-CG 4.37Å; V10-Q74 VanDerWaalsContact C-NE2 3.35Å; V10-Q74 CarbonylContact O-C 3.48Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; V10-Q74 PolarHBondContact O-NE2 3.11Å; V10-L75 HydrophobicContact CG1-CB 3.92Å; V10-L75 HydrophobicContact CG1-CD1 3.94Å; V10-L75 HydrophobicContact CG1-CG 4.32Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 3.25Å; V10-L78 HydrophobicContact CB-CD1 4.16Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-V108 HydrophobicContact CG1-CG1 4.44Å
11	K	97.7	Very high	94.3	Very high	116 Å²	116	63.6 Å²	63.6	50%	0.504	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.8	172.6	-165.4	176.7	176.7	-177.3	0	110.3	Y72 Q74	K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.48Å; K11-Q74 VanDerWaalsContact CB-OE1 3.23Å
12	L	97.9	Very high	95	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.6	173.7	-53.3	-176.7	0	0	0	110.2	V10 W28 Y72 L73 Y86 T106 V108	V10-L12 HydrophobicContact CG2-CD2 3.72Å; V10-L12 HydrophobicContact CG2-CG 4.37Å; L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ3 3.92Å; L12-W28 HydrophobicContact CD1-CZ3 4.37Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.42Å; L12-L73 HydrophobicContact CB-CB 4.41Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.94Å; L12-L73 PolarHBondContact O-N 2.86Å; L12-Y86 VanDerWaalsContact CD1-CB 3.42Å; L12-Y86 HydrophobicContact CD1-CD1 4.11Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; L12-T106 HydrophobicContact CD1-CG2 3.87Å; L12-T106 HydrophobicContact CD2-CG2 3.8Å; L12-T106 HydrophobicContact CG-CG2 4.36Å; L12-V108 HydrophobicContact CD1-CG2 4.13Å; L12-V108 HydrophobicContact CD2-CG2 3.95Å
13	S	97.6	Very high	95.1	Very high	79 Å²	79	63.1 Å²	63.1	55%	0.552	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.6	177.7	62.7	0	0	0	0	111.1	A71	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.33Å
14	C	97.2	Very high	95	Very high	18 Å²	18	60 Å²	60	12%	0.122	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	103.9	175.4	178.6	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; C14-A71 PolarHBondContact N-O 3.5Å; C14-A71 PolarHBondContact O-N 2.79Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.2Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.83Å
15	T	96.8	Very high	95	Very high	92 Å²	92	59.3 Å²	59.3	56%	0.564	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.6	179.9	-56.4	0	0	0	0	110	T70	T15-T70 WeakPolarHBondContact CG2-OG1 3.31Å; T15-T70 PolarHBondContact OG1-OG1 2.87Å
16	A	93.5	Very high	95	Very high	9 Å²	9	52.5 Å²	52.5	7%	0.074	33%	0.333	C	S	.	.			trans	-73.2	132	173.8	0	0	0	0	0	110	F19 I21 N69	A16-F19 HydrophobicContact CB-CD1 4.1Å; A16-F19 HydrophobicContact CB-CD2 4.12Å; A16-F19 HydrophobicContact CB-CE1 3.52Å; A16-F19 HydrophobicContact CB-CE2 3.53Å; A16-F19 HydrophobicContact CB-CG 4.4Å; A16-F19 HydrophobicContact CB-CZ 3.22Å; A16-I21 HydrophobicContact CB-CB 4.06Å; A16-I21 HydrophobicContact CB-CD1 4.27Å; A16-I21 HydrophobicContact CB-CG1 4.07Å; A16-N69 VanDerWaalsContact CB-ND2 3.28Å; A16-N69 WeakPolarHBondContact CB-ND2 3.35Å; A16-N69 PolarHBondContact N-O 2.77Å; A16-N69 PolarHBondContact O-ND2 3.44Å
17	S	93	Very high	95	Very high	110 Å²	110	49.3 Å²	49.3	77%	0.769	31%	0.311	S	S	*	.			trans	-126.4	131.7	176.8	-179.4	0	0	0	0	109.6	F19	S17-F19 VanDerWaalsContact O-CD1 3.3Å; S17-F19 WeakPolarHBondContact O-CD1 3.35Å
18	G	91.4	Very high	95.1	Very high	85 Å²	85	47 Å²	47	88%	0.876	29%	0.286	S	S	*	.	S	Bend	trans	80.6	11	-179.3	0	0	0	0	0	115.5
19	F	89.9	Confident	95.1	Very high	41 Å²	41	45.6 Å²	45.6	18%	0.18	27%	0.274	C	S	.	.	S	Bend	trans	-157.5	159.8	174.3	65.8	-78.3	0	0	0	111.2	A16 S17 Y24 M26 N69	A16-F19 HydrophobicContact CB-CD1 4.1Å; A16-F19 HydrophobicContact CB-CD2 4.12Å; A16-F19 HydrophobicContact CB-CE1 3.52Å; A16-F19 HydrophobicContact CB-CE2 3.53Å; A16-F19 HydrophobicContact CB-CG 4.4Å; A16-F19 HydrophobicContact CB-CZ 3.22Å; S17-F19 VanDerWaalsContact O-CD1 3.3Å; S17-F19 WeakPolarHBondContact O-CD1 3.35Å; F19-Y24 HydrophobicContact CB-CE2 4Å; F19-Y24 AromaticContact CD2-CD2 3.36Å; F19-Y24 HydrophobicContact CD2-CD2 3.36Å; F19-Y24 AromaticContact CD2-CE2 3.55Å; F19-Y24 HydrophobicContact CD2-CE2 3.55Å; F19-Y24 HydrophobicContact CD2-CG 4.23Å; F19-Y24 AromaticContact CE2-CD2 3.79Å; F19-Y24 HydrophobicContact CE2-CD2 3.79Å; F19-Y24 HydrophobicContact CE2-CE2 4.35Å; F19-Y24 HydrophobicContact CE2-CG 4.25Å; F19-Y24 HydrophobicContact CG-CD2 4.35Å; F19-Y24 HydrophobicContact CG-CE2 4.11Å; F19-M26 HydrophobicContact CE2-SD 4.38Å; F19-M26 HydrophobicContact CZ-SD 4.5Å; F19-N69 PolarHBondContact O-ND2 2.81Å
20	N	93.8	Very high	95.1	Very high	70 Å²	70	43.3 Å²	43.3	37%	0.374	26%	0.255	S	S	.	.			trans	-82.9	123.4	170.6	-180	0.6	0	0	0	109.5	K22 D23	N20-K22 PolarHBondContact O-N 3.29Å; N20-K22 PolarHBondContact OD1-N 2.91Å; N20-K22 VanDerWaalsContact OD1-N 3.13Å; N20-D23 PolarHBondContact O-N 3.13Å; N20-D23 VanDerWaalsContact O-N 3.15Å
21	I	94.9	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.6	-176	-154.8	175.8	0	0	0	112.4	A16 D23 Y24 M26 P45 T66 N69 A71	A16-I21 HydrophobicContact CB-CB 4.06Å; A16-I21 HydrophobicContact CB-CD1 4.27Å; A16-I21 HydrophobicContact CB-CG1 4.07Å; I21-D23 PolarHBondContact O-N 2.95Å; I21-Y24 PolarHBondContact O-N 3Å; I21-M26 HydrophobicContact CD1-CG 3.86Å; I21-M26 HydrophobicContact CD1-SD 4.33Å; I21-M26 HydrophobicContact CG1-CG 3.61Å; I21-M26 HydrophobicContact CG1-SD 3.87Å; I21-P45 HydrophobicContact CG1-CG 4.06Å; I21-P45 HydrophobicContact CG2-CB 4.08Å; I21-P45 HydrophobicContact CG2-CG 4.48Å; I21-P45 WeakPolarHBondContact O-CG 3.41Å; I21-T66 HydrophobicContact CG2-CG2 4.24Å; I21-N69 WeakPolarHBondContact CB-OD1 3.23Å; I21-N69 VanDerWaalsContact CG2-OD1 3.31Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.36Å; I21-N69 PolarHBondContact N-OD1 2.97Å; I21-A71 HydrophobicContact CD1-CB 3.99Å
22	K	94.6	Very high	94.7	Very high	81 Å²	81	43.6 Å²	43.6	35%	0.352	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-63.4	-24.5	176.2	-71.1	-175.9	168	-174.9	0	113.7	N20 Y24 T66	N20-K22 PolarHBondContact O-N 3.29Å; N20-K22 PolarHBondContact OD1-N 2.91Å; N20-K22 VanDerWaalsContact OD1-N 3.13Å; K22-Y24 PolarHBondContact O-N 2.9Å; K22-T66 HydrophobicContact CD-CG2 4.14Å; K22-T66 VanDerWaalsContact CE-CG2 3.43Å; K22-T66 VanDerWaalsContact CE-OG1 3.27Å; K22-T66 WeakPolarHBondContact CE-OG1 2.98Å; K22-T66 HydrophobicContact CG-CG2 3.57Å
23	D	92.1	Very high	93.8	Very high	94 Å²	94	50 Å²	50	50%	0.503	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-84.4	2.6	-175.2	-52.7	-30.5	0	0	0	112.7	N20 I21	N20-D23 PolarHBondContact O-N 3.13Å; N20-D23 VanDerWaalsContact O-N 3.15Å; I21-D23 PolarHBondContact O-N 2.95Å
24	Y	92.6	Very high	93	Very high	57 Å²	57	55.5 Å²	55.5	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147	-170.1	-62.2	-91.3	0	0	0	112.9	F19 I21 K22 P45 R90 A91 T92	F19-Y24 HydrophobicContact CB-CE2 4Å; F19-Y24 AromaticContact CD2-CD2 3.36Å; F19-Y24 HydrophobicContact CD2-CD2 3.36Å; F19-Y24 AromaticContact CD2-CE2 3.55Å; F19-Y24 HydrophobicContact CD2-CE2 3.55Å; F19-Y24 HydrophobicContact CD2-CG 4.23Å; F19-Y24 AromaticContact CE2-CD2 3.79Å; F19-Y24 HydrophobicContact CE2-CD2 3.79Å; F19-Y24 HydrophobicContact CE2-CE2 4.35Å; F19-Y24 HydrophobicContact CE2-CG 4.25Å; F19-Y24 HydrophobicContact CG-CD2 4.35Å; F19-Y24 HydrophobicContact CG-CE2 4.11Å; I21-Y24 PolarHBondContact O-N 3Å; K22-Y24 PolarHBondContact O-N 2.9Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; Y24-R90 HydrophobicContact CD1-CG 4.12Å; Y24-A91 WeakPolarHBondContact CA-O 3.4Å; Y24-A91 WeakPolarHBondContact CB-O 3.32Å; Y24-T92 HydrophobicContact CD1-CG2 4.25Å; Y24-T92 HydrophobicContact CE1-CG2 3.92Å
25	Y	94.4	Very high	92.2	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.6	163.1	-64.9	-55.3	0	0	0	110.1	H27 R42 D44 R90 A91 V93 R96	Y25-H27 WeakPolarHBondContact CB-NE2 3.42Å; Y25-R42 VanDerWaalsContact CE1-NH1 3.34Å; Y25-D44 HydrophobicContact CD1-CB 3.83Å; Y25-D44 HydrophobicContact CE1-CB 3.57Å; Y25-D44 VanDerWaalsContact CE1-CG 3.5Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y25-R90 WeakPolarHBondContact O-CA 3.31Å; Y25-A91 PolarHBondContact N-O 2.81Å; Y25-A91 PolarHBondContact O-N 3.33Å; Y25-V93 HydrophobicContact CE2-CB 4.38Å; Y25-V93 HydrophobicContact CE2-CG1 4.34Å; Y25-V93 HydrophobicContact CE2-CG2 4.49Å; Y25-R96 HydrophobicContact CD2-CB 4.4Å; Y25-R96 HydrophobicContact CD2-CG 4.09Å; Y25-R96 HydrophobicContact CE2-CB 4.42Å; Y25-R96 HydrophobicContact CE2-CG 3.67Å; Y25-R96 PolarHBondContact OH-NH1 2.86Å; Y25-R96 PolarHBondContact OH-NH2 3.32Å; Y25-R96 VanDerWaalsContact OH-NH2 3.12Å
26	M	96	Very high	91.8	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.5	175.1	-63.3	-57.1	-59.8	0	0	109.3	F19 I21 R42 I43 P45 A71 R90	F19-M26 HydrophobicContact CE2-SD 4.38Å; F19-M26 HydrophobicContact CZ-SD 4.5Å; I21-M26 HydrophobicContact CD1-CG 3.86Å; I21-M26 HydrophobicContact CD1-SD 4.33Å; I21-M26 HydrophobicContact CG1-CG 3.61Å; I21-M26 HydrophobicContact CG1-SD 3.87Å; M26-R42 CarbonylContact O-C 3.53Å; M26-R42 WeakPolarHBondContact O-CA 3.43Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.13Å; M26-I43 PolarHBondContact O-N 2.81Å; M26-P45 HydrophobicContact CG-CG 4.02Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 4.17Å; M26-R90 HydrophobicContact SD-CB 3.9Å
27	H	96.4	Very high	91.7	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147	-178.1	-66.1	-109.9	0	0	0	110.6	Y25 W39 G41 C88 A89 F99	Y25-H27 WeakPolarHBondContact CB-NE2 3.42Å; H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.91Å; H27-W39 AromaticContact ND1-NE1 3.14Å; H27-W39 PolarHBondContact ND1-NE1 3.1Å; H27-W39 VanDerWaalsContact ND1-NE1 3.14Å; H27-G41 WeakPolarHBondContact CA-O 3.19Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; H27-A89 HydrophobicContact CB-CB 4.44Å; H27-A89 PolarHBondContact N-O 3.42Å; H27-A89 PolarHBondContact O-N 2.8Å; H27-F99 HydrophobicContact CB-CD1 4.44Å; H27-F99 HydrophobicContact CB-CE1 3.89Å; H27-F99 HydrophobicContact CB-CZ 4.21Å; H27-F99 AromaticContact CD2-CE1 3.64Å; H27-F99 AromaticContact CE1-CE1 3.56Å; H27-F99 AromaticContact CG-CE1 3.33Å; H27-F99 AromaticContact CG-CZ 3.88Å; H27-F99 AromaticContact ND1-CE1 3.28Å; H27-F99 VanDerWaalsContact ND1-CE1 3.28Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.31Å; H27-F99 AromaticContact ND1-CZ 3.52Å; H27-F99 AromaticContact NE2-CE1 3.8Å
28	W	97.6	Very high	91.8	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.019	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.2	169.8	-71.5	94.3	0	0	0	109.9	L12 C14 I40 G41 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ3 3.92Å; L12-W28 HydrophobicContact CD1-CZ3 4.37Å; C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.1Å; W28-I40 PolarHBondContact O-N 2.77Å; W28-G41 PolarHBondContact N-O 2.76Å; W28-G41 PolarHBondContact O-N 3.45Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.87Å; W28-L73 HydrophobicContact CD2-CG 4.23Å; W28-L73 VanDerWaalsContact CE2-CB 3.47Å; W28-L73 HydrophobicContact CE3-CB 3.79Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 3.95Å; W28-L73 HydrophobicContact CG-CD1 4.46Å; W28-L73 HydrophobicContact CG-CD2 4.06Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CH2-CB 4.04Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 4.06Å; W28-L73 HydrophobicContact CZ3-CD2 4.36Å; W28-Y87 WeakPolarHBondContact CA-O 3.06Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	96.3	Very high	91.9	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.2	-177	-177.8	0	0	0	0	107.8	L37 E38 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.33Å; V29-E38 WeakPolarHBondContact CA-O 2.82Å; V29-E38 WeakPolarHBondContact CG1-O 3.36Å; V29-Y87 PolarHBondContact N-O 2.65Å; V29-Y87 PolarHBondContact O-N 3.48Å; V29-W102 HydrophobicContact CB-CH2 4.1Å; V29-W102 HydrophobicContact CB-CZ3 3.79Å; V29-W102 HydrophobicContact CG1-CH2 4.02Å; V29-W102 HydrophobicContact CG1-CZ3 3.99Å; V29-W102 HydrophobicContact CG2-CH2 3.82Å; V29-W102 HydrophobicContact CG2-CZ3 3.88Å
30	K	95.6	Very high	92.3	Very high	21 Å²	21	56.5 Å²	56.5	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.5	170.2	64.2	-179.5	-170.2	176.1	0	111.2	E38 I40 A84 V85 Y86	K30-E38 WeakPolarHBondContact CE-OE2 3.07Å; K30-E38 HydrophobicContact CG-CB 3.98Å; K30-E38 PolarHBondContact N-O 3.06Å; K30-E38 IonicContact NZ-OE2 3.23Å; K30-E38 PolarHBondContact NZ-OE2 2.91Å; K30-E38 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CD-CD1 4.31Å; K30-I40 HydrophobicContact CD-CG1 4.45Å; K30-I40 HydrophobicContact CG-CD1 4.17Å; K30-I40 HydrophobicContact CG-CG1 4.21Å; K30-A84 HydrophobicContact CB-CB 4.03Å; K30-V85 CarbonylContact C-O 3.58Å; K30-V85 VanDerWaalsContact CA-O 3.31Å; K30-V85 WeakPolarHBondContact CA-O 3.43Å; K30-Y86 HydrophobicContact CB-CD1 3.83Å; K30-Y86 HydrophobicContact CB-CE1 3.75Å; K30-Y86 HydrophobicContact CB-CG 4.36Å; K30-Y86 HydrophobicContact CD-CE1 4.06Å; K30-Y86 HydrophobicContact CG-CE1 4.48Å
31	Q	95.4	Very high	92.4	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.2	173.3	-168.4	179.2	13.9	0	0	108.8	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.22Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.28Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 3.16Å; Q31-Y87 HydrophobicContact CB-CD2 4.49Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å
32	R	91.5	Very high	92.5	Very high	47 Å²	47	53.6 Å²	53.6	18%	0.177	27%	0.271	C	S	.	.			trans	-88.7	152.8	169.5	-53.5	-166.5	176	127.8	-15.8	109.3	E34 Q35 E38 E81 A84	R32-E34 PolarHBondContact O-N 2.8Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.42Å; R32-Q35 VanDerWaalsContact CD-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 2.87Å; R32-Q35 VanDerWaalsContact O-N 3.11Å; R32-E38 IonicContact NH1-OE1 2.55Å; R32-E38 IonicContact NH1-OE2 3.69Å; R32-E81 PolarHBondContact NE-O 2.83Å; R32-E81 PolarHBondContact NH2-O 2.88Å; R32-A84 HydrophobicContact CG-CB 4.19Å
33	T	79.1	Confident	92.6	Very high	143 Å²	143	50.1 Å²	50.1	88%	0.877	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.3	-175.2	-18.7	0	0	0	0	113.9
34	E	81.4	Confident	92.7	Very high	193 Å²	193	46 Å²	46	90%	0.902	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	3.2	-179.2	-60.1	-176.4	174.8	0	0	113.6	R32	R32-E34 PolarHBondContact O-N 2.8Å
35	Q	80	Confident	92.9	Very high	90 Å²	90	43.7 Å²	43.7	42%	0.421	23%	0.226	S	C	.	.	S	Bend	trans	-127	155.1	-177.5	-60.2	172.1	1.6	0	0	110.3	R32 E38	R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.42Å; R32-Q35 VanDerWaalsContact CD-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 2.87Å; R32-Q35 VanDerWaalsContact O-N 3.11Å; Q35-E38 PolarHBondContact OE1-OE1 2.93Å
36	G	87.4	Confident	92.9	Very high	54 Å²	54	50.1 Å²	50.1	56%	0.557	26%	0.256	S	S	*	.			trans	-64	-174.9	175.6	0	0	0	0	0	113	E38	G36-E38 PolarHBondContact O-N 3.01Å
37	L	92.7	Very high	92.9	Very high	97 Å²	97	55.2 Å²	55.2	51%	0.508	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.3	172.4	-68.2	167.9	0	0	0	110	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.22Å; L37-W102 HydrophobicContact CD1-CH2 3.96Å; L37-W102 HydrophobicContact CD1-CZ2 4.47Å; L37-W102 HydrophobicContact CD2-CH2 4.44Å; L37-W102 HydrophobicContact CD2-CZ3 4.37Å
38	E	94.2	Very high	92.8	Very high	44 Å²	44	56.8 Å²	56.8	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117	173.1	-63.2	-168.7	155.3	0	0	109.6	V29 K30 R32 Q35 G36	V29-E38 CarbonylContact C-O 3.33Å; V29-E38 WeakPolarHBondContact CA-O 2.82Å; V29-E38 WeakPolarHBondContact CG1-O 3.36Å; K30-E38 WeakPolarHBondContact CE-OE2 3.07Å; K30-E38 HydrophobicContact CG-CB 3.98Å; K30-E38 PolarHBondContact N-O 3.06Å; K30-E38 IonicContact NZ-OE2 3.23Å; K30-E38 PolarHBondContact NZ-OE2 2.91Å; K30-E38 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact NH1-OE1 2.55Å; R32-E38 IonicContact NH1-OE2 3.69Å; Q35-E38 PolarHBondContact OE1-OE1 2.93Å; G36-E38 PolarHBondContact O-N 3.01Å
39	W	94.9	Very high	92.7	Very high	89 Å²	89	59.7 Å²	59.7	34%	0.337	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.2	174.2	-176.9	67.9	0	0	0	110.5	H27 G41 R42 K51 A53	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.91Å; H27-W39 AromaticContact ND1-NE1 3.14Å; H27-W39 PolarHBondContact ND1-NE1 3.1Å; H27-W39 VanDerWaalsContact ND1-NE1 3.14Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.42Å; W39-R42 HydrophobicContact CZ2-CB 4.09Å; W39-R42 HydrophobicContact CZ2-CG 4.08Å; W39-K51 HydrophobicContact CH2-CB 4Å; W39-A53 HydrophobicContact CE3-CB 3.89Å; W39-A53 HydrophobicContact CZ3-CB 4.24Å; W39-A53 WeakPolarHBondContact O-CB 3.04Å
40	I	96.8	Very high	92.8	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-45.8	180	-63.6	174.8	0	0	0	110.2	W28 K30 Y52 A53 S56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.1Å; W28-I40 PolarHBondContact O-N 2.77Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CD-CD1 4.31Å; K30-I40 HydrophobicContact CD-CG1 4.45Å; K30-I40 HydrophobicContact CG-CD1 4.17Å; K30-I40 HydrophobicContact CG-CG1 4.21Å; I40-Y52 WeakPolarHBondContact O-CA 3.48Å; I40-A53 PolarHBondContact O-N 3.35Å; I40-S56 WeakPolarHBondContact O-CB 3.21Å; I40-A60 HydrophobicContact CG2-CB 3.71Å; I40-L73 HydrophobicContact CD1-CD2 3.83Å; I40-L73 HydrophobicContact CG2-CD1 4.08Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.66Å
41	G	96.5	Very high	92.8	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.2	179.9	-173.6	0	0	0	0	0	112.9	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.19Å; W28-G41 PolarHBondContact N-O 2.76Å; W28-G41 PolarHBondContact O-N 3.45Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.42Å; G41-K51 CarbonylContact C-O 3.6Å; G41-K51 WeakPolarHBondContact CA-O 3.5Å
42	R	96	Very high	92.8	Very high	9 Å²	9	65 Å²	65	3%	0.034	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162	171.5	70	149.2	179.2	92.7	-0.3	111.7	Y25 M26 W39 E49 T50 K51	Y25-R42 VanDerWaalsContact CE1-NH1 3.34Å; M26-R42 CarbonylContact O-C 3.53Å; M26-R42 WeakPolarHBondContact O-CA 3.43Å; W39-R42 HydrophobicContact CZ2-CB 4.09Å; W39-R42 HydrophobicContact CZ2-CG 4.08Å; R42-E49 IonicContact CZ-OE1 3.71Å; R42-E49 IonicContact CZ-OE2 3.6Å; R42-E49 VanDerWaalsContact CZ-OE2 3.23Å; R42-E49 PolarHBondContact NH1-O 2.55Å; R42-E49 IonicContact NH1-OE1 2.77Å; R42-E49 IonicContact NH1-OE2 3.67Å; R42-E49 PolarHBondContact NH1-OE2 3.11Å; R42-E49 IonicContact NH2-OE1 3.42Å; R42-E49 PolarHBondContact NH2-OE1 2.77Å; R42-E49 IonicContact NH2-OE2 2.8Å; R42-E49 PolarHBondContact NH2-OE2 2.92Å; R42-T50 WeakPolarHBondContact O-CA 3.43Å; R42-K51 HydrophobicContact CG-CB 4.1Å; R42-K51 PolarHBondContact N-O 3.43Å; R42-K51 VanDerWaalsContact NH2-CE 3.3Å; R42-K51 PolarHBondContact O-N 3.12Å
43	I	96.8	Very high	93	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142	162.7	-174.4	161.6	0	0	0	109.8	M26 P45 E49 T50 I62 A64	M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.13Å; M26-I43 PolarHBondContact O-N 2.81Å; I43-P45 HydrophobicContact CG2-CG 4.43Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; I43-E49 CarbonylContact C-O 3.57Å; I43-E49 WeakPolarHBondContact CA-O 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; I43-I62 HydrophobicContact CB-CG2 3.65Å; I43-I62 HydrophobicContact CG2-CG2 3.57Å; I43-A64 HydrophobicContact CD1-CB 3.9Å; I43-A64 HydrophobicContact CG2-CB 4.29Å
44	D	96	Very high	93.7	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.032	33%	0.333	C	S	.	.			trans	-88	109.7	156.6	-164.5	-27.9	0	0	0	109	Y25 E46 D47 G48 E49	Y25-D44 HydrophobicContact CD1-CB 3.83Å; Y25-D44 HydrophobicContact CE1-CB 3.57Å; Y25-D44 VanDerWaalsContact CE1-CG 3.5Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.48Å; D44-E46 PolarHBondContact O-N 2.85Å; D44-E46 VanDerWaalsContact OD1-CB 3.3Å; D44-E46 WeakPolarHBondContact OD1-CB 3.42Å; D44-E46 PolarHBondContact OD1-N 3.44Å; D44-D47 VanDerWaalsContact CB-OD1 3.31Å; D44-D47 WeakPolarHBondContact CB-OD1 3.12Å; D44-G48 CarbonylContact O-C 3.56Å; D44-G48 WeakPolarHBondContact O-CA 3.28Å; D44-G48 PolarHBondContact O-N 3.17Å; D44-E49 HydrophobicContact CB-CB 4.15Å; D44-E49 PolarHBondContact N-O 2.8Å
45	P	96.3	Very high	94.1	Very high	10 Å²	10	61.7 Å²	61.7	7%	0.065	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.6	179.3	-19.8	36.4	0	0	0	113.7	I21 Y24 M26 I43 A64 T66	I21-P45 HydrophobicContact CG1-CG 4.06Å; I21-P45 HydrophobicContact CG2-CB 4.08Å; I21-P45 HydrophobicContact CG2-CG 4.48Å; I21-P45 WeakPolarHBondContact O-CG 3.41Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; M26-P45 HydrophobicContact CG-CG 4.02Å; I43-P45 HydrophobicContact CG2-CG 4.43Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-A64 HydrophobicContact CB-CB 3.86Å; P45-A64 HydrophobicContact CG-CB 4.09Å; P45-T66 HydrophobicContact CB-CG2 4.01Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.01Å
46	E	95	Very high	94.6	Very high	139 Å²	139	58 Å²	58	65%	0.65	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-49.4	177.5	-174.5	175.1	-153.6	0	0	111.5	D44	D44-E46 PolarHBondContact O-N 2.85Å; D44-E46 VanDerWaalsContact OD1-CB 3.3Å; D44-E46 WeakPolarHBondContact OD1-CB 3.42Å; D44-E46 PolarHBondContact OD1-N 3.44Å
47	D	94.6	Very high	94.8	Very high	112 Å²	112	62.4 Å²	62.4	60%	0.599	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-6.8	-174.9	69.7	6	0	0	0	114.3	D44 E49	D44-D47 VanDerWaalsContact CB-OD1 3.31Å; D44-D47 WeakPolarHBondContact CB-OD1 3.12Å; D47-E49 WeakPolarHBondContact OD1-CB 3.44Å; D47-E49 PolarHBondContact OD1-N 2.87Å
48	G	95.2	Very high	94.7	Very high	42 Å²	42	61.4 Å²	61.4	43%	0.433	33%	0.33	S	S	.	.			trans	83.1	8.1	179.7	0	0	0	0	0	114.7	D44 T50	D44-G48 CarbonylContact O-C 3.56Å; D44-G48 WeakPolarHBondContact O-CA 3.28Å; D44-G48 PolarHBondContact O-N 3.17Å; G48-T50 PolarHBondContact O-N 2.77Å
49	E	95.5	Very high	94.7	Very high	65 Å²	65	61.8 Å²	61.8	30%	0.304	33%	0.332	S	S	.	.			trans	-63.8	125.1	-179.6	-169.3	-131.5	150.2	0	0	111	R42 I43 D44 D47 K51	R42-E49 IonicContact CZ-OE1 3.71Å; R42-E49 IonicContact CZ-OE2 3.6Å; R42-E49 VanDerWaalsContact CZ-OE2 3.23Å; R42-E49 PolarHBondContact NH1-O 2.55Å; R42-E49 IonicContact NH1-OE1 2.77Å; R42-E49 IonicContact NH1-OE2 3.67Å; R42-E49 PolarHBondContact NH1-OE2 3.11Å; R42-E49 IonicContact NH2-OE1 3.42Å; R42-E49 PolarHBondContact NH2-OE1 2.77Å; R42-E49 IonicContact NH2-OE2 2.8Å; R42-E49 PolarHBondContact NH2-OE2 2.92Å; I43-E49 CarbonylContact C-O 3.57Å; I43-E49 WeakPolarHBondContact CA-O 3.39Å; D44-E49 HydrophobicContact CB-CB 4.15Å; D44-E49 PolarHBondContact N-O 2.8Å; D47-E49 WeakPolarHBondContact OD1-CB 3.44Å; D47-E49 PolarHBondContact OD1-N 2.87Å; E49-K51 WeakPolarHBondContact OE1-CE 3.42Å
50	T	96.9	Very high	94.8	Very high	54 Å²	54	57.9 Å²	57.9	33%	0.331	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.7	177.9	53.6	0	0	0	0	112	R42 I43 G48 Y52	R42-T50 WeakPolarHBondContact O-CA 3.43Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; G48-T50 PolarHBondContact O-N 2.77Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.47Å
51	K	95.6	Very high	94.8	Very high	101 Å²	101	61.3 Å²	61.3	44%	0.439	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.7	169	-67.8	-170	175.4	178.5	0	109.4	W39 G41 R42 E49	W39-K51 HydrophobicContact CH2-CB 4Å; G41-K51 CarbonylContact C-O 3.6Å; G41-K51 WeakPolarHBondContact CA-O 3.5Å; R42-K51 HydrophobicContact CG-CB 4.1Å; R42-K51 PolarHBondContact N-O 3.43Å; R42-K51 VanDerWaalsContact NH2-CE 3.3Å; R42-K51 PolarHBondContact O-N 3.12Å; E49-K51 WeakPolarHBondContact OE1-CE 3.42Å
52	Y	96.9	Very high	94.9	Very high	60 Å²	60	61.5 Å²	61.5	24%	0.235	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.9	-178.5	-62.3	-87.4	0	0	0	110.6	I40 T50 A60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.47Å; Y52-A60 HydrophobicContact CD1-CB 4.35Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; Y52-I62 HydrophobicContact CD1-CD1 4.2Å; Y52-I62 HydrophobicContact CE1-CB 4.34Å; Y52-I62 HydrophobicContact CE1-CD1 3.81Å; Y52-I62 HydrophobicContact CE1-CG1 3.85Å; Y52-I62 PolarHBondContact OH-N 3.26Å; Y52-I62 VanDerWaalsContact OH-N 3.08Å
53	A	95.3	Very high	95	Very high	13 Å²	13	64 Å²	64	11%	0.107	36%	0.357	C	S	.	.			trans	-68.1	144.8	161.6	0	0	0	0	0	109.4	W39 I40 K55 S56 Q57	W39-A53 HydrophobicContact CE3-CB 3.89Å; W39-A53 HydrophobicContact CZ3-CB 4.24Å; W39-A53 WeakPolarHBondContact O-CB 3.04Å; I40-A53 PolarHBondContact O-N 3.35Å; A53-K55 PolarHBondContact O-N 3.27Å; A53-K55 VanDerWaalsContact O-N 3.1Å; A53-S56 PolarHBondContact O-N 3.49Å; A53-Q57 PolarHBondContact O-N 3.28Å
54	P	93.7	Very high	95.1	Very high	119 Å²	119	65.1 Å²	65.1	77%	0.773	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-53.5	-36.5	-179.6	-29	35.2	0	0	0	113.8	S56	P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 2.87Å
55	K	90.2	Very high	95.1	Very high	181 Å²	181	67.5 Å²	67.5	79%	0.787	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17.3	178.6	-66.7	-176.5	178.7	178.6	0	114.2	A53	A53-K55 PolarHBondContact O-N 3.27Å; A53-K55 VanDerWaalsContact O-N 3.1Å
56	S	91.1	Very high	95.1	Very high	13 Å²	13	69.6 Å²	69.6	9%	0.091	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-103.4	-10.9	-176.1	-61.3	0	0	0	0	112.9	I40 A53 P54 G58 K59 A60	I40-S56 WeakPolarHBondContact O-CB 3.21Å; A53-S56 PolarHBondContact O-N 3.49Å; P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 2.87Å; S56-G58 PolarHBondContact O-N 3.04Å; S56-K59 PolarHBondContact O-N 2.97Å; S56-A60 PolarHBondContact O-N 3.14Å
57	Q	90.7	Very high	95.2	Very high	145 Å²	145	68.1 Å²	68.1	68%	0.678	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	131.7	-179.6	-163.3	164.9	-22.1	0	0	110.8	A53 K59	A53-Q57 PolarHBondContact O-N 3.28Å; Q57-K59 PolarHBondContact O-N 3.38Å
58	G	89.8	Confident	95.3	Very high	76 Å²	76	65 Å²	65	78%	0.784	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-19.4	-176.7	0	0	0	0	0	115.2	S56	S56-G58 PolarHBondContact O-N 3.04Å
59	K	94.2	Very high	95.4	Very high	53 Å²	53	64.6 Å²	64.6	23%	0.23	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-34.9	177.5	-166.6	171.6	-167.1	172.8	0	113.4	S56 Q57 L75 S76 D82	S56-K59 PolarHBondContact O-N 2.97Å; Q57-K59 PolarHBondContact O-N 3.38Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; K59-S76 WeakPolarHBondContact CE-O 3.31Å; K59-S76 WeakPolarHBondContact CG-O 3.47Å; K59-S76 PolarHBondContact O-N 3.49Å; K59-S76 PolarHBondContact O-OG 2.86Å; K59-D82 WeakPolarHBondContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.65Å; K59-D82 PolarHBondContact NZ-OD1 2.98Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.77Å
60	A	97.1	Very high	95.5	Very high	6 Å²	6	61.8 Å²	61.8	5%	0.05	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.5	178.8	0	0	0	0	0	110.9	I40 Y52 S56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.71Å; Y52-A60 HydrophobicContact CD1-CB 4.35Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; S56-A60 PolarHBondContact O-N 3.14Å; A60-L73 HydrophobicContact CB-CD1 3.83Å; A60-Q74 CarbonylContact C-O 3.37Å; A60-Q74 WeakPolarHBondContact CA-O 3.19Å; A60-L75 HydrophobicContact CB-CD2 4.07Å
61	T	98.1	Very high	95.6	Very high	75 Å²	75	59.2 Å²	59.2	46%	0.46	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.2	166.2	-56.4	0	0	0	0	108.3	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.23Å; T61-Q74 PolarHBondContact N-O 3.34Å; T61-Q74 PolarHBondContact O-N 2.98Å
62	I	98.3	Very high	95.7	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.8	178.5	-58.8	167	0	0	0	108.6	I43 Y52 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.65Å; I43-I62 HydrophobicContact CG2-CG2 3.57Å; Y52-I62 HydrophobicContact CD1-CD1 4.2Å; Y52-I62 HydrophobicContact CE1-CB 4.34Å; Y52-I62 HydrophobicContact CE1-CD1 3.81Å; Y52-I62 HydrophobicContact CE1-CG1 3.85Å; Y52-I62 PolarHBondContact OH-N 3.26Å; Y52-I62 VanDerWaalsContact OH-N 3.08Å; I62-Y72 WeakPolarHBondContact CA-O 3.36Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å
63	T	98.1	Very high	95.8	Very high	61 Å²	61	54 Å²	54	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.4	174.8	64.2	0	0	0	0	110.7	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.23Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 3.02Å; T63-Y72 PolarHBondContact O-N 2.81Å
64	A	97.9	Very high	95.9	Very high	32 Å²	32	56.4 Å²	56.4	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.1	173.8	0	0	0	0	0	109.9	I43 P45 T70	I43-A64 HydrophobicContact CD1-CB 3.9Å; I43-A64 HydrophobicContact CG2-CB 4.29Å; P45-A64 HydrophobicContact CB-CB 3.86Å; P45-A64 HydrophobicContact CG-CB 4.09Å; A64-T70 CarbonylContact C-O 3.59Å; A64-T70 WeakPolarHBondContact CA-O 3.15Å
65	D	97.5	Very high	96.1	Very high	56 Å²	56	51 Å²	51	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.7	168.3	175.1	8.7	0	0	0	108.3	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.49Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 3.37Å; D65-S67 PolarHBondContact OD2-OG 3.1Å; D65-S68 WeakPolarHBondContact CB-OG 3.23Å; D65-S68 PolarHBondContact OD1-N 3.2Å; D65-S68 WeakPolarHBondContact OD2-CB 2.99Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; D65-N69 PolarHBondContact O-N 3.45Å; D65-T70 PolarHBondContact N-O 2.78Å; D65-T70 PolarHBondContact O-N 2.03Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66	T	96.4	Very high	96.4	Very high	53 Å²	53	44.2 Å²	44.2	33%	0.325	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.4	-176.7	61.7	0	0	0	0	112.8	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.24Å; K22-T66 HydrophobicContact CD-CG2 4.14Å; K22-T66 VanDerWaalsContact CE-CG2 3.43Å; K22-T66 VanDerWaalsContact CE-OG1 3.27Å; K22-T66 WeakPolarHBondContact CE-OG1 2.98Å; K22-T66 HydrophobicContact CG-CG2 3.57Å; P45-T66 HydrophobicContact CB-CG2 4.01Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.01Å
67	S	95.9	Very high	96.6	Very high	109 Å²	109	47.5 Å²	47.5	76%	0.762	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-38.5	174.8	72.5	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.49Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 3.37Å; D65-S67 PolarHBondContact OD2-OG 3.1Å
68	S	97.2	Very high	96.8	Very high	47 Å²	47	40.6 Å²	40.6	33%	0.329	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.8	175.2	65.8	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.23Å; D65-S68 PolarHBondContact OD1-N 3.2Å; D65-S68 WeakPolarHBondContact OD2-CB 2.99Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.25Å
69	N	96.9	Very high	97	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.171	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	39.1	178.9	-149.1	42.2	0	0	0	113	A16 F19 I21 D65	A16-N69 VanDerWaalsContact CB-ND2 3.28Å; A16-N69 WeakPolarHBondContact CB-ND2 3.35Å; A16-N69 PolarHBondContact N-O 2.77Å; A16-N69 PolarHBondContact O-ND2 3.44Å; F19-N69 PolarHBondContact O-ND2 2.81Å; I21-N69 WeakPolarHBondContact CB-OD1 3.23Å; I21-N69 VanDerWaalsContact CG2-OD1 3.31Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.36Å; I21-N69 PolarHBondContact N-OD1 2.97Å; D65-N69 PolarHBondContact O-N 3.45Å
70	T	98.1	Very high	97	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.7	-169	-61.7	0	0	0	0	112	C14 T15 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.42Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.31Å; T15-T70 PolarHBondContact OG1-OG1 2.87Å; A64-T70 CarbonylContact C-O 3.59Å; A64-T70 WeakPolarHBondContact CA-O 3.15Å; D65-T70 PolarHBondContact N-O 2.78Å; D65-T70 PolarHBondContact O-N 2.03Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.25Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.58Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å
71	A	98	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	148.3	168.6	0	0	0	0	0	110.5	S13 C14 I21 M26 T63	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.33Å; C14-A71 PolarHBondContact N-O 3.5Å; C14-A71 PolarHBondContact O-N 2.79Å; I21-A71 HydrophobicContact CD1-CB 3.99Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 4.17Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	98.4	Very high	96.5	Very high	52 Å²	52	43.8 Å²	43.8	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.1	-179.7	-57.3	-82	0	0	0	111.6	K11 L12 I62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.48Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.42Å; I62-Y72 WeakPolarHBondContact CA-O 3.36Å; T63-Y72 PolarHBondContact N-O 3.02Å; T63-Y72 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.58Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å
73	L	98.4	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.7	168.7	171.9	68.4	0	0	0	108.3	L12 W28 I40 A60 I62 L75 Y86	L12-L73 HydrophobicContact CB-CB 4.41Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.94Å; L12-L73 PolarHBondContact O-N 2.86Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.87Å; W28-L73 HydrophobicContact CD2-CG 4.23Å; W28-L73 VanDerWaalsContact CE2-CB 3.47Å; W28-L73 HydrophobicContact CE3-CB 3.79Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 3.95Å; W28-L73 HydrophobicContact CG-CD1 4.46Å; W28-L73 HydrophobicContact CG-CD2 4.06Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CH2-CB 4.04Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 4.06Å; W28-L73 HydrophobicContact CZ3-CD2 4.36Å; I40-L73 HydrophobicContact CD1-CD2 3.83Å; I40-L73 HydrophobicContact CG2-CD1 4.08Å; A60-L73 HydrophobicContact CB-CD1 3.83Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å; L73-L75 HydrophobicContact CD1-CD2 4.07Å; L73-L75 HydrophobicContact CD2-CD1 4.33Å; L73-L75 HydrophobicContact CD2-CD2 4.15Å; L73-L75 HydrophobicContact CD2-CG 4.22Å; L73-L75 HydrophobicContact CG-CD2 4.12Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L73-Y86 HydrophobicContact CD2-CD1 3.91Å; L73-Y86 HydrophobicContact CD2-CE1 4.39Å
74	Q	98.1	Very high	96.3	Very high	63 Å²	63	42.6 Å²	42.6	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.8	168.5	-175	74.5	48	0	0	108.6	V10 K11 A60 T61	V10-Q74 VanDerWaalsContact C-NE2 3.35Å; V10-Q74 CarbonylContact O-C 3.48Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; V10-Q74 PolarHBondContact O-NE2 3.11Å; K11-Q74 VanDerWaalsContact CB-OE1 3.23Å; A60-Q74 CarbonylContact C-O 3.37Å; A60-Q74 WeakPolarHBondContact CA-O 3.19Å; T61-Q74 PolarHBondContact N-O 3.34Å; T61-Q74 PolarHBondContact O-N 2.98Å
75	L	97.2	Very high	96.2	Very high	7 Å²	7	43 Å²	43	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.9	169.2	-57.4	164	0	0	0	108.5	S9 V10 K59 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.47Å; V10-L75 HydrophobicContact CG1-CB 3.92Å; V10-L75 HydrophobicContact CG1-CD1 3.94Å; V10-L75 HydrophobicContact CG1-CG 4.32Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 3.25Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; A60-L75 HydrophobicContact CB-CD2 4.07Å; L73-L75 HydrophobicContact CD1-CD2 4.07Å; L73-L75 HydrophobicContact CD2-CD1 4.33Å; L73-L75 HydrophobicContact CD2-CD2 4.15Å; L73-L75 HydrophobicContact CD2-CG 4.22Å; L73-L75 HydrophobicContact CG-CD2 4.12Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.19Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.37Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; L75-Y86 HydrophobicContact CD2-CE1 4.45Å
76	S	96.3	Very high	96.2	Very high	38 Å²	38	40.5 Å²	40.5	27%	0.266	24%	0.242	S	C	.	.			trans	-111.1	157	178.6	58.9	0	0	0	0	111.8	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.39Å; K59-S76 WeakPolarHBondContact CE-O 3.31Å; K59-S76 WeakPolarHBondContact CG-O 3.47Å; K59-S76 PolarHBondContact O-N 3.49Å; K59-S76 PolarHBondContact O-OG 2.86Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.94Å
77	S	95.1	Very high	96.3	Very high	81 Å²	81	40 Å²	40	57%	0.566	24%	0.235	S	C	*	.	S	Bend	trans	49.6	52.3	173	-57.6	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 3.25Å
78	L	95.5	Very high	96.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.203	C	C	.	.			trans	-62.9	142.3	-174.4	-70.8	173.8	0	0	0	112.4	V4 P6 G7 A8 V10 L75 S76 D82 V108 V110	V4-L78 HydrophobicContact CG2-CD1 3.56Å; P6-L78 CarbonylContact C-O 3.52Å; P6-L78 WeakPolarHBondContact CA-O 3.35Å; G7-L78 PolarHBondContact N-O 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 WeakPolarHBondContact O-CG 2.96Å; A8-L78 PolarHBondContact O-N 2.88Å; V10-L78 HydrophobicContact CB-CD1 4.16Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.19Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.94Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.49Å; L78-V108 HydrophobicContact CD1-CG1 4.43Å; L78-V110 HydrophobicContact CB-CG1 4.2Å; L78-V110 HydrophobicContact CB-CG2 3.98Å; L78-V110 HydrophobicContact CD1-CG2 4.22Å
79	T	94.8	Very high	96.2	Very high	56 Å²	56	33.4 Å²	33.4	34%	0.344	19%	0.188	S	C	.	.			trans	-121.3	168.5	174.6	65.2	0	0	0	0	109.8	E81 D82 V110	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 3.05Å; T79-D82 PolarHBondContact OG1-OD2 2.96Å; T79-V110 VanDerWaalsContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CG1 3.46Å; T79-V110 WeakPolarHBondContact O-CG2 3.27Å
80	S	93	Very high	96	Very high	85 Å²	85	33.6 Å²	33.6	59%	0.594	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-53.3	-31.6	175.8	49.7	0	0	0	0	112.6	D82 T83	S80-D82 PolarHBondContact O-N 2.82Å; S80-T83 WeakPolarHBondContact O-CB 3.3Å; S80-T83 PolarHBondContact O-N 3.02Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3.27Å; S80-T83 VanDerWaalsContact O-OG1 3.11Å
81	E	91.2	Very high	95.4	Very high	131 Å²	131	33.4 Å²	33.4	61%	0.612	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-67.2	-13.3	176.5	-59.1	-176.3	179.5	0	0	114.4	R32 T79 T83	R32-E81 PolarHBondContact NE-O 2.83Å; R32-E81 PolarHBondContact NH2-O 2.88Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.1Å; E81-T83 VanDerWaalsContact C-N 3.29Å
82	D	93.8	Very high	94.6	Very high	5 Å²	5	36 Å²	36	3%	0.027	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-88.1	-0.3	173.9	-57.2	-53.8	0	0	0	112.7	K59 L78 T79 S80 A84 Y86 V110	K59-D82 WeakPolarHBondContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.65Å; K59-D82 PolarHBondContact NZ-OD1 2.98Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.77Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.49Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 3.05Å; T79-D82 PolarHBondContact OG1-OD2 2.96Å; S80-D82 PolarHBondContact O-N 2.82Å; D82-A84 PolarHBondContact O-N 3.05Å; D82-Y86 WeakPolarHBondContact O-CE2 3.04Å; D82-Y86 PolarHBondContact O-OH 2.8Å; D82-V110 HydrophobicContact CB-CG2 4.25Å
83	T	95.6	Very high	93.3	Very high	40 Å²	40	36.3 Å²	36.3	25%	0.245	21%	0.209	C	C	.	.			trans	-63	111	171.7	-62.5	0	0	0	0	109.4	S80 E81 V108 T109 V110	S80-T83 WeakPolarHBondContact O-CB 3.3Å; S80-T83 PolarHBondContact O-N 3.02Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3.27Å; S80-T83 VanDerWaalsContact O-OG1 3.11Å; E81-T83 VanDerWaalsContact C-N 3.29Å; T83-V108 WeakPolarHBondContact CA-O 3.13Å; T83-T109 HydrophobicContact CG2-CG2 4.38Å; T83-V110 PolarHBondContact OG1-N 3.32Å
84	A	96.4	Very high	92.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	162.6	-173.4	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 V108	K30-A84 HydrophobicContact CB-CB 4.03Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.28Å; R32-A84 HydrophobicContact CG-CB 4.19Å; D82-A84 PolarHBondContact O-N 3.05Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.47Å; A84-V108 PolarHBondContact N-O 3.45Å; A84-V108 VanDerWaalsContact N-O 3.13Å; A84-V108 PolarHBondContact O-N 3.08Å
85	V	97.3	Very high	90.9	Very high	39 Å²	39	42.3 Å²	42.3	24%	0.236	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.3	162.4	-170.7	0	0	0	0	108.4	K30 Q31 Y87 T106 L107	K30-V85 CarbonylContact C-O 3.58Å; K30-V85 VanDerWaalsContact CA-O 3.31Å; K30-V85 WeakPolarHBondContact CA-O 3.43Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 3.16Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.93Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.38Å; V85-T106 WeakPolarHBondContact CA-O 3.23Å; V85-L107 HydrophobicContact CG2-CB 4.45Å; V85-L107 HydrophobicContact CG2-CD1 4.14Å
86	Y	97.6	Very high	89.4	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.6	179.8	-71.3	-97.2	0	0	0	110	L12 K30 I40 L73 L75 D82 A84 G105 T106 V108	L12-Y86 VanDerWaalsContact CD1-CB 3.42Å; L12-Y86 HydrophobicContact CD1-CD1 4.11Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; K30-Y86 HydrophobicContact CB-CD1 3.83Å; K30-Y86 HydrophobicContact CB-CE1 3.75Å; K30-Y86 HydrophobicContact CB-CG 4.36Å; K30-Y86 HydrophobicContact CD-CE1 4.06Å; K30-Y86 HydrophobicContact CG-CE1 4.48Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.66Å; L73-Y86 HydrophobicContact CD2-CD1 3.91Å; L73-Y86 HydrophobicContact CD2-CE1 4.39Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.37Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; L75-Y86 HydrophobicContact CD2-CE1 4.45Å; D82-Y86 WeakPolarHBondContact O-CE2 3.04Å; D82-Y86 PolarHBondContact O-OH 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.47Å; Y86-G105 CarbonylContact O-C 3.58Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; Y86-T106 PolarHBondContact N-O 2.88Å; Y86-T106 PolarHBondContact O-N 2.83Å; Y86-V108 HydrophobicContact CD2-CB 3.93Å; Y86-V108 HydrophobicContact CD2-CG2 3.71Å; Y86-V108 HydrophobicContact CE2-CB 3.78Å; Y86-V108 HydrophobicContact CE2-CG2 3.99Å
87	Y	97.2	Very high	88	Confident	44 Å²	44	52.6 Å²	52.6	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.9	-179.4	-58.3	-89.3	0	0	0	110.2	W28 V29 Q31 V85 W102	W28-Y87 WeakPolarHBondContact CA-O 3.06Å; V29-Y87 PolarHBondContact N-O 2.65Å; V29-Y87 PolarHBondContact O-N 3.48Å; Q31-Y87 HydrophobicContact CB-CD2 4.49Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.93Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.38Å; Y87-W102 HydrophobicContact CG-CE3 4.15Å; Y87-W102 HydrophobicContact CG-CZ3 4.33Å
88	C	96.6	Very high	87	Confident	15 Å²	15	58 Å²	58	10%	0.101	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.6	157.1	59.6	0	0	0	0	109.6	C14 H27 W28 W102 G103	C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.2Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.83Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; C88-W102 WeakPolarHBondContact O-CA 3.33Å; C88-G103 PolarHBondContact O-N 2.95Å
89	A	95.2	Very high	86.2	Confident	2 Å²	2	60.6 Å²	60.6	2%	0.017	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.3	173.5	0	0	0	0	0	109.9	H27 F99 Y101 W102	H27-A89 HydrophobicContact CB-CB 4.44Å; H27-A89 PolarHBondContact N-O 3.42Å; H27-A89 PolarHBondContact O-N 2.8Å; A89-F99 HydrophobicContact CB-CB 4.06Å; A89-F99 HydrophobicContact CB-CD1 4.22Å; A89-F99 HydrophobicContact CB-CG 4.06Å; A89-Y101 CarbonylContact C-O 3.56Å; A89-Y101 WeakPolarHBondContact CA-O 3.18Å; A89-Y101 WeakPolarHBondContact CB-O 3.28Å; A89-W102 HydrophobicContact CB-CD2 3.8Å; A89-W102 HydrophobicContact CB-CE3 3.98Å; A89-W102 HydrophobicContact CB-CG 4.21Å; A89-W102 HydrophobicContact CB-CZ2 4.44Å; A89-W102 HydrophobicContact CB-CZ3 4.36Å
90	R	91.5	Very high	85.3	Confident	36 Å²	36	60.7 Å²	60.7	14%	0.136	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142	175.3	90.8	-172.4	171	-179.5	-5.1	111.5	Y24 Y25 M26 Y101	Y24-R90 HydrophobicContact CD1-CG 4.12Å; Y25-R90 WeakPolarHBondContact O-CA 3.31Å; M26-R90 HydrophobicContact SD-CB 3.9Å; R90-Y101 HydrophobicContact CG-CD2 4.21Å; R90-Y101 PolarHBondContact N-O 3.13Å
91	A	87.4	Confident	85.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.3	170.2	0	0	0	0	0	110.1	Y24 Y25 F99	Y24-A91 WeakPolarHBondContact CA-O 3.4Å; Y24-A91 WeakPolarHBondContact CB-O 3.32Å; Y25-A91 PolarHBondContact N-O 2.81Å; Y25-A91 PolarHBondContact O-N 3.33Å; A91-F99 HydrophobicContact CB-CD1 4.2Å; A91-F99 HydrophobicContact CB-CE1 4.4Å
92	T	81.3	Confident	85.2	Confident	54 Å²	54	62 Å²	62	33%	0.331	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	157.8	175	64	0	0	0	0	110.3	Y24 V94 A95 R96	Y24-T92 HydrophobicContact CD1-CG2 4.25Å; Y24-T92 HydrophobicContact CE1-CG2 3.92Å; T92-V94 PolarHBondContact O-N 2.81Å; T92-A95 CarbonylContact O-C 3.59Å; T92-A95 PolarHBondContact O-N 3.21Å; T92-A95 WeakPolarHBondContact OG1-CB 3.06Å; T92-A95 PolarHBondContact OG1-N 2.93Å; T92-R96 PolarHBondContact O-N 2.84Å
93	V	70.3	Confident	85.2	Confident	60 Å²	60	63.1 Å²	63.1	36%	0.364	32%	0.324	S	S	.	.	S	Bend	trans	-60.9	-31.8	178.1	-177.4	0	0	0	0	112.5	Y25 R96	Y25-V93 HydrophobicContact CE2-CB 4.38Å; Y25-V93 HydrophobicContact CE2-CG1 4.34Å; Y25-V93 HydrophobicContact CE2-CG2 4.49Å; V93-R96 VanDerWaalsContact O-CG 3.31Å; V93-R96 WeakPolarHBondContact O-CG 3.5Å; V93-R96 PolarHBondContact O-NE 2.81Å; V93-R96 VanDerWaalsContact O-NE 3.16Å
94	V	73.1	Confident	85.1	Confident	143 Å²	143	70.1 Å²	70.1	87%	0.867	35%	0.353	S	S	*	.	S	Bend	trans	-81.7	-38.6	178.2	-94.2	0	0	0	0	113.4	T92	T92-V94 PolarHBondContact O-N 2.81Å
95	A	73.3	Confident	85.1	Confident	46 Å²	46	71.5 Å²	71.5	38%	0.38	37%	0.368	S	S	.	.	S	Bend	trans	-113.3	73.6	178.6	0	0	0	0	0	110.4	T92 D97 W98	T92-A95 CarbonylContact O-C 3.59Å; T92-A95 PolarHBondContact O-N 3.21Å; T92-A95 WeakPolarHBondContact OG1-CB 3.06Å; T92-A95 PolarHBondContact OG1-N 2.93Å; A95-D97 VanDerWaalsContact C-N 3.26Å; A95-D97 PolarHBondContact O-N 3.4Å; A95-W98 HydrophobicContact CB-CB 4.32Å; A95-W98 PolarHBondContact O-N 3.15Å
96	R	65.1	Low	85.1	Confident	107 Å²	107	71.7 Å²	71.7	40%	0.404	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.9	-170.8	-54.2	-165.9	175.8	-164.7	-3.7	114.4	Y25 T92 V93	Y25-R96 HydrophobicContact CD2-CB 4.4Å; Y25-R96 HydrophobicContact CD2-CG 4.09Å; Y25-R96 HydrophobicContact CE2-CB 4.42Å; Y25-R96 HydrophobicContact CE2-CG 3.67Å; Y25-R96 PolarHBondContact OH-NH1 2.86Å; Y25-R96 PolarHBondContact OH-NH2 3.32Å; Y25-R96 VanDerWaalsContact OH-NH2 3.12Å; T92-R96 PolarHBondContact O-N 2.84Å; V93-R96 VanDerWaalsContact O-CG 3.31Å; V93-R96 WeakPolarHBondContact O-CG 3.5Å; V93-R96 PolarHBondContact O-NE 2.81Å; V93-R96 VanDerWaalsContact O-NE 3.16Å
97	D	67.6	Low	85	Confident	153 Å²	153	74.9 Å²	74.9	82%	0.818	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.9	-175.1	-57	-42.3	0	0	0	113.3	A95	A95-D97 VanDerWaalsContact C-N 3.26Å; A95-D97 PolarHBondContact O-N 3.4Å
98	W	73.5	Confident	85	Confident	195 Å²	195	72.8 Å²	72.8	74%	0.739	38%	0.378	S	S	*	.			trans	-103.9	106.6	-179.5	-167.8	-73.4	0	0	0	111.8	A95 A100	A95-W98 HydrophobicContact CB-CB 4.32Å; A95-W98 PolarHBondContact O-N 3.15Å; W98-A100 PolarHBondContact O-N 3.31Å; W98-A100 VanDerWaalsContact O-N 3.11Å
99	F	78.6	Confident	85	Confident	56 Å²	56	74 Å²	74	25%	0.246	39%	0.385	C	S	.	.			trans	-83.4	83.1	176.6	-55.8	-36.8	0	0	0	111.3	H27 A89 A91 Y101 W102	H27-F99 HydrophobicContact CB-CD1 4.44Å; H27-F99 HydrophobicContact CB-CE1 3.89Å; H27-F99 HydrophobicContact CB-CZ 4.21Å; H27-F99 AromaticContact CD2-CE1 3.64Å; H27-F99 AromaticContact CE1-CE1 3.56Å; H27-F99 AromaticContact CG-CE1 3.33Å; H27-F99 AromaticContact CG-CZ 3.88Å; H27-F99 AromaticContact ND1-CE1 3.28Å; H27-F99 VanDerWaalsContact ND1-CE1 3.28Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.31Å; H27-F99 AromaticContact ND1-CZ 3.52Å; H27-F99 AromaticContact NE2-CE1 3.8Å; A89-F99 HydrophobicContact CB-CB 4.06Å; A89-F99 HydrophobicContact CB-CD1 4.22Å; A89-F99 HydrophobicContact CB-CG 4.06Å; A91-F99 HydrophobicContact CB-CD1 4.2Å; A91-F99 HydrophobicContact CB-CE1 4.4Å; F99-Y101 VanDerWaalsContact C-N 3.29Å; F99-Y101 PolarHBondContact O-N 3.19Å; F99-W102 HydrophobicContact CB-CZ2 3.78Å; F99-W102 HydrophobicContact CD2-CH2 4.04Å; F99-W102 AromaticContact CD2-CZ2 3.5Å; F99-W102 HydrophobicContact CD2-CZ2 3.5Å; F99-W102 HydrophobicContact CE2-CZ2 4.49Å; F99-W102 HydrophobicContact CG-CZ2 4Å; F99-W102 PolarHBondContact O-NE1 2.81Å
100	A	76.7	Confident	85	Confident	57 Å²	57	74.2 Å²	74.2	47%	0.471	39%	0.386	S	S	.	.			trans	-70	-25.6	-178.9	0	0	0	0	0	113.2	W98	W98-A100 PolarHBondContact O-N 3.31Å; W98-A100 VanDerWaalsContact O-N 3.11Å
101	Y	87.3	Confident	85.1	Confident	142 Å²	142	75.1 Å²	75.1	56%	0.557	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	137	-177.4	-58.5	-98.3	0	0	0	111.3	A89 R90 F99	A89-Y101 CarbonylContact C-O 3.56Å; A89-Y101 WeakPolarHBondContact CA-O 3.18Å; A89-Y101 WeakPolarHBondContact CB-O 3.28Å; R90-Y101 HydrophobicContact CG-CD2 4.21Å; R90-Y101 PolarHBondContact N-O 3.13Å; F99-Y101 VanDerWaalsContact C-N 3.29Å; F99-Y101 PolarHBondContact O-N 3.19Å
102	W	93.4	Very high	84.9	Confident	103 Å²	103	81.4 Å²	81.4	39%	0.39	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.2	-178.4	-68.3	75.1	0	0	0	110.3	V29 L37 Y87 C88 A89 F99	V29-W102 HydrophobicContact CB-CH2 4.1Å; V29-W102 HydrophobicContact CB-CZ3 3.79Å; V29-W102 HydrophobicContact CG1-CH2 4.02Å; V29-W102 HydrophobicContact CG1-CZ3 3.99Å; V29-W102 HydrophobicContact CG2-CH2 3.82Å; V29-W102 HydrophobicContact CG2-CZ3 3.88Å; L37-W102 HydrophobicContact CD1-CH2 3.96Å; L37-W102 HydrophobicContact CD1-CZ2 4.47Å; L37-W102 HydrophobicContact CD2-CH2 4.44Å; L37-W102 HydrophobicContact CD2-CZ3 4.37Å; Y87-W102 HydrophobicContact CG-CE3 4.15Å; Y87-W102 HydrophobicContact CG-CZ3 4.33Å; C88-W102 WeakPolarHBondContact O-CA 3.33Å; A89-W102 HydrophobicContact CB-CD2 3.8Å; A89-W102 HydrophobicContact CB-CE3 3.98Å; A89-W102 HydrophobicContact CB-CG 4.21Å; A89-W102 HydrophobicContact CB-CZ2 4.44Å; A89-W102 HydrophobicContact CB-CZ3 4.36Å; F99-W102 HydrophobicContact CB-CZ2 3.78Å; F99-W102 HydrophobicContact CD2-CH2 4.04Å; F99-W102 AromaticContact CD2-CZ2 3.5Å; F99-W102 HydrophobicContact CD2-CZ2 3.5Å; F99-W102 HydrophobicContact CE2-CZ2 4.49Å; F99-W102 HydrophobicContact CG-CZ2 4Å; F99-W102 PolarHBondContact O-NE1 2.81Å
103	G	94.1	Very high	85.1	Confident	28 Å²	28	82.8 Å²	82.8	29%	0.289	46%	0.456	S	S	.	.			trans	-70.3	165.2	164.9	0	0	0	0	0	111.4	C88 G105	C88-G103 PolarHBondContact O-N 2.95Å; G103-G105 PolarHBondContact O-N 3.39Å; G103-G105 VanDerWaalsContact O-N 3.13Å
104	Q	94.4	Very high	85.9	Confident	186 Å²	186	84 Å²	84	87%	0.869	46%	0.461	S	S	*	.			trans	-64.6	-17.2	179.6	-65.4	-62.1	-46.6	0	0	113.6
105	G	95.4	Very high	86.6	Confident	31 Å²	31	80.7 Å²	80.7	32%	0.32	44%	0.438	S	S	.	.			trans	83	155.6	-175.5	0	0	0	0	0	112.7	Y86 G103	Y86-G105 CarbonylContact O-C 3.58Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; G103-G105 PolarHBondContact O-N 3.39Å; G103-G105 VanDerWaalsContact O-N 3.13Å
106	T	96.6	Very high	87.3	Confident	42 Å²	42	82.8 Å²	82.8	26%	0.258	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.2	173	-172.9	0	0	0	0	109.9	L12 V85 Y86 V108	L12-T106 HydrophobicContact CD1-CG2 3.87Å; L12-T106 HydrophobicContact CD2-CG2 3.8Å; L12-T106 HydrophobicContact CG-CG2 4.36Å; V85-T106 WeakPolarHBondContact CA-O 3.23Å; Y86-T106 PolarHBondContact N-O 2.88Å; Y86-T106 PolarHBondContact O-N 2.83Å; T106-V108 PolarHBondContact O-N 3.03Å
107	L	96.7	Very high	88.7	Confident	71 Å²	71	81.3 Å²	81.3	37%	0.372	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.8	174.3	176.7	63.6	0	0	0	109.4	A1 E2 V85	A1-L107 CarbonylContact C-O 3.5Å; A1-L107 WeakPolarHBondContact CA-O 3.34Å; A1-L107 HydrophobicContact CB-CB 4.06Å; E2-L107 PolarHBondContact N-O 3.11Å; V85-L107 HydrophobicContact CG2-CB 4.45Å; V85-L107 HydrophobicContact CG2-CD1 4.14Å
108	V	96.6	Very high	90.1	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.9	164.6	179.4	0	0	0	0	107.1	E2 V4 V10 L12 L78 T83 A84 Y86 T106 V110	E2-V108 CarbonylContact O-C 3.51Å; E2-V108 WeakPolarHBondContact O-CA 3.3Å; V4-V108 HydrophobicContact CG2-CG1 4.26Å; V10-V108 HydrophobicContact CG1-CG1 4.44Å; L12-V108 HydrophobicContact CD1-CG2 4.13Å; L12-V108 HydrophobicContact CD2-CG2 3.95Å; L78-V108 HydrophobicContact CD1-CG1 4.43Å; T83-V108 WeakPolarHBondContact CA-O 3.13Å; A84-V108 PolarHBondContact N-O 3.45Å; A84-V108 VanDerWaalsContact N-O 3.13Å; A84-V108 PolarHBondContact O-N 3.08Å; Y86-V108 HydrophobicContact CD2-CB 3.93Å; Y86-V108 HydrophobicContact CD2-CG2 3.71Å; Y86-V108 HydrophobicContact CE2-CB 3.78Å; Y86-V108 HydrophobicContact CE2-CG2 3.99Å; T106-V108 PolarHBondContact O-N 3.03Å; V108-V110 HydrophobicContact CG1-CG2 4.44Å
109	T	96.6	Very high	91.3	Very high	41 Å²	41	68 Å²	68	25%	0.252	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.3	177.7	-58	0	0	0	0	109.3	E2 L3 V4 T83	E2-T109 PolarHBondContact O-N 2.62Å; L3-T109 WeakPolarHBondContact CA-O 3.38Å; L3-T109 HydrophobicContact CD1-CG2 3.67Å; V4-T109 PolarHBondContact N-O 2.91Å; T83-T109 HydrophobicContact CG2-CG2 4.38Å
110	V	95.3	Very high	92.3	Very high	7 Å²	7	68.9 Å²	68.9	4%	0.042	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	104.8	179.1	-169.7	0	0	0	0	108.7	V4 P6 L78 T79 D82 T83 V108	V4-V110 HydrophobicContact CG2-CB 4.43Å; V4-V110 HydrophobicContact CG2-CG1 4.47Å; V4-V110 HydrophobicContact CG2-CG2 3.87Å; V4-V110 WeakPolarHBondContact O-CA 3.33Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.19Å; L78-V110 HydrophobicContact CB-CG1 4.2Å; L78-V110 HydrophobicContact CB-CG2 3.98Å; L78-V110 HydrophobicContact CD1-CG2 4.22Å; T79-V110 VanDerWaalsContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CG1 3.46Å; T79-V110 WeakPolarHBondContact O-CG2 3.27Å; D82-V110 HydrophobicContact CB-CG2 4.25Å; T83-V110 PolarHBondContact OG1-N 3.32Å; V108-V110 HydrophobicContact CG1-CG2 4.44Å
111	S	93.4	Very high	93.6	Very high	54 Å²	54	69.9 Å²	69.9	38%	0.378	40%	0.403	S	S	.	.			trans	-140.1	151.3	-180	70.6	0	0	0	0	111.6	L3 V4 P6	L3-S111 WeakPolarHBondContact CD1-OG 3.39Å; V4-S111 PolarHBondContact O-N 2.62Å; P6-S111 WeakPolarHBondContact CD-O 3.29Å
112	A	83.3	Confident	94.2	Very high	134 Å²	134	63.4 Å²	63.4	100%	1.107	39%	0.389	S	S	*	.			trans	-70	0	176.6	0	0	0	0	0	112.1

Retrieved 112 of 112 residues in 24.2 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).