X5J5C9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 114 aa.

						>X5J5C9_MOUSE|X5J5C9
AELVKPGASVKLSCTASGFNIKDYYMHWVKQRTEQGLEWIGRIDPEDGETKYAPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCARGKDYGSSYGAMDYWGQGTSVTVSS
					

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(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	81.2	Confident	94.1	Very high	117 Å²	117	75.4 Å²	75.4	97%	0.967	46%	0.458	S	S	*	.				0	143.4	0	0	0	0	0	0	108	S109	A1-S109 CarbonylContact C-O 3.58Å; A1-S109 WeakPolarHBondContact CA-O 3.35Å
2	E	89.4	Confident	94.4	Very high	67 Å²	67	69.7 Å²	69.7	31%	0.313	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.3	-174.3	-155.6	170.9	150.4	0	0	110.4	V4 V10 S109 V110 T111	E2-V4 HydrophobicContact CG-CG1 3.91Å; E2-V10 HydrophobicContact CG-CG2 4.43Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.2Å; E2-S109 PolarHBondContact N-O 3.36Å; E2-V110 HydrophobicContact CB-CG2 4.4Å; E2-V110 CarbonylContact O-C 3.52Å; E2-V110 WeakPolarHBondContact O-CA 3.3Å; E2-T111 PolarHBondContact O-N 2.94Å
3	L	94.2	Very high	94.7	Very high	125 Å²	125	69.8 Å²	69.8	65%	0.654	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.6	176.8	-177.7	66.2	0	0	0	108.4	T111 S113	L3-T111 WeakPolarHBondContact CA-O 3.38Å; L3-T111 HydrophobicContact CD1-CG2 3.81Å; L3-S113 WeakPolarHBondContact CD1-OG 3.35Å
4	V	95.2	Very high	94.8	Very high	18 Å²	18	66.1 Å²	66.1	11%	0.109	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.7	-172.8	-61.6	0	0	0	0	111.2	E2 A8 L78 V110 T111 V112 S113	E2-V4 HydrophobicContact CG-CG1 3.91Å; V4-A8 HydrophobicContact CB-CB 4.31Å; V4-L78 HydrophobicContact CB-CD1 4.41Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; V4-V110 HydrophobicContact CG2-CG1 4.16Å; V4-T111 PolarHBondContact N-O 3.35Å; V4-V112 HydrophobicContact CG2-CB 4.4Å; V4-V112 HydrophobicContact CG2-CG1 4.47Å; V4-V112 HydrophobicContact CG2-CG2 3.84Å; V4-V112 WeakPolarHBondContact O-CA 3.21Å; V4-S113 PolarHBondContact O-N 2.62Å
5	K	95.3	Very high	95	Very high	147 Å²	147	67.7 Å²	67.7	64%	0.639	42%	0.416	S	S	*	.			trans	-81.1	152.5	176.1	-66.8	-175.8	177.8	-176.4	0	110.8	G7 A8	K5-G7 PolarHBondContact O-N 3.13Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 2.79Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	96.4	Very high	94.9	Very high	76 Å²	76	63.9 Å²	63.9	49%	0.494	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	139.9	170.1	-25.2	34	0	0	0	112	A8 L78 V112	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.39Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.48Å; P6-V112 HydrophobicContact CB-CG1 4.42Å; P6-V112 HydrophobicContact CG-CG1 4.17Å
7	G	95	Very high	94.8	Very high	56 Å²	56	66.8 Å²	66.8	58%	0.577	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-11.8	-176.3	0	0	0	0	0	114.9	K5 L78	K5-G7 PolarHBondContact O-N 3.13Å; G7-L78 PolarHBondContact N-O 3.42Å
8	A	96.1	Very high	94.7	Very high	35 Å²	35	67.9 Å²	67.9	29%	0.289	44%	0.444	S	S	.	.			trans	-69.6	169.1	175.4	0	0	0	0	0	112	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.31Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 2.79Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.39Å; A8-S77 PolarHBondContact O-N 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.34Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	96.8	Very high	94.4	Very high	65 Å²	65	66.6 Å²	66.6	46%	0.455	43%	0.43	S	S	.	.			trans	-116.1	149.2	170.5	-57.1	0	0	0	0	110.1	L75 S76	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.33Å; S9-L75 WeakPolarHBondContact CB-O 3.15Å; S9-S76 WeakPolarHBondContact OG-CA 3.02Å
10	V	97.2	Very high	94.4	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.018	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.9	175.3	60.1	0	0	0	0	109.9	E2 L12 Q74 L75 L78 V110	E2-V10 HydrophobicContact CG-CG2 4.43Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.2Å; V10-L12 HydrophobicContact CG2-CD2 3.65Å; V10-L12 HydrophobicContact CG2-CG 4.12Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.28Å; V10-L75 HydrophobicContact CG1-CB 3.82Å; V10-L75 HydrophobicContact CG1-CD1 4.09Å; V10-L75 HydrophobicContact CG1-CG 4.39Å; V10-L75 PolarHBondContact N-O 2.95Å; V10-L75 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; V10-L78 HydrophobicContact CG1-CG 4.49Å; V10-V110 HydrophobicContact CG2-CG2 4.48Å
11	K	97.9	Very high	94.5	Very high	120 Å²	120	63.7 Å²	63.7	52%	0.522	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.5	169.6	-174.8	178.3	177.8	-178.6	0	110	Y72 L73	K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.24Å
12	L	98.1	Very high	95.1	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.037	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	149.2	174.9	-54.5	-178.6	0	0	0	110.1	V10 W28 Y72 L73 Y86 T108 V110	V10-L12 HydrophobicContact CG2-CD2 3.65Å; V10-L12 HydrophobicContact CG2-CG 4.12Å; L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ3 3.9Å; L12-W28 HydrophobicContact CD1-CZ3 4.3Å; L12-Y72 CarbonylContact O-C 3.52Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-L73 HydrophobicContact CB-CB 4.49Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.66Å; L12-L73 PolarHBondContact O-N 3.39Å; L12-Y86 VanDerWaalsContact CD1-CB 3.41Å; L12-Y86 HydrophobicContact CD1-CD1 4.31Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; L12-T108 HydrophobicContact CD2-CG2 3.98Å; L12-V110 HydrophobicContact CD1-CG2 4.2Å; L12-V110 HydrophobicContact CD2-CG2 3.94Å
13	S	97.7	Very high	95.3	Very high	72 Å²	72	63.6 Å²	63.6	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.6	175.4	61	0	0	0	0	111.4	A71	S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.47Å
14	C	97.4	Very high	95.2	Very high	17 Å²	17	60.1 Å²	60.1	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	105.1	174.7	178.2	0	0	0	0	109.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.28Å; C14-A71 PolarHBondContact N-O 3Å; C14-A71 PolarHBondContact O-N 3.27Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.33Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å
15	T	97.1	Very high	95.2	Very high	90 Å²	90	61.4 Å²	61.4	55%	0.552	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.9	179.5	-55.9	0	0	0	0	109.9	T70	T15-T70 WeakPolarHBondContact CB-OG1 3.17Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.42Å; T15-T70 PolarHBondContact OG1-OG1 2.76Å
16	A	93.8	Very high	95.2	Very high	8 Å²	8	54.6 Å²	54.6	7%	0.066	34%	0.342	C	S	.	.			trans	-71.8	132.2	174.2	0	0	0	0	0	110.1	F19 I21 N69	A16-F19 HydrophobicContact CB-CD1 4.17Å; A16-F19 HydrophobicContact CB-CD2 4.12Å; A16-F19 HydrophobicContact CB-CE1 3.61Å; A16-F19 HydrophobicContact CB-CE2 3.54Å; A16-F19 HydrophobicContact CB-CG 4.43Å; A16-F19 HydrophobicContact CB-CZ 3.26Å; A16-I21 HydrophobicContact CB-CB 4.07Å; A16-I21 HydrophobicContact CB-CD1 4.28Å; A16-I21 HydrophobicContact CB-CG1 4.08Å; A16-N69 VanDerWaalsContact CB-ND2 3.3Å; A16-N69 WeakPolarHBondContact CB-ND2 3.33Å; A16-N69 PolarHBondContact N-O 2.96Å; A16-N69 PolarHBondContact O-ND2 3.27Å
17	S	93.3	Very high	95.2	Very high	112 Å²	112	51.3 Å²	51.3	78%	0.783	32%	0.32	S	S	*	.			trans	-126.8	132.9	176.9	-179.3	0	0	0	0	109.5	F19	S17-F19 VanDerWaalsContact C-N 3.35Å; S17-F19 WeakPolarHBondContact O-CD1 3.16Å
18	G	91.9	Very high	95.4	Very high	87 Å²	87	48.9 Å²	48.9	90%	0.897	29%	0.293	S	S	*	.	S	Bend	trans	79.7	9.6	-179	0	0	0	0	0	115.4
19	F	90.3	Very high	95.4	Very high	43 Å²	43	47.4 Å²	47.4	19%	0.189	28%	0.28	C	S	.	.	S	Bend	trans	-156.5	159.3	173.2	65.6	-79.8	0	0	0	111.1	A16 S17 Y24 M26 N69 R90	A16-F19 HydrophobicContact CB-CD1 4.17Å; A16-F19 HydrophobicContact CB-CD2 4.12Å; A16-F19 HydrophobicContact CB-CE1 3.61Å; A16-F19 HydrophobicContact CB-CE2 3.54Å; A16-F19 HydrophobicContact CB-CG 4.43Å; A16-F19 HydrophobicContact CB-CZ 3.26Å; S17-F19 VanDerWaalsContact C-N 3.35Å; S17-F19 WeakPolarHBondContact O-CD1 3.16Å; F19-Y24 HydrophobicContact CB-CE2 4.1Å; F19-Y24 AromaticContact CD2-CD2 3.46Å; F19-Y24 HydrophobicContact CD2-CD2 3.46Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; F19-Y24 AromaticContact CD2-CE2 3.75Å; F19-Y24 HydrophobicContact CD2-CE2 3.75Å; F19-Y24 HydrophobicContact CD2-CG 4.36Å; F19-Y24 AromaticContact CE2-CD2 3.92Å; F19-Y24 HydrophobicContact CE2-CD2 3.92Å; F19-Y24 HydrophobicContact CE2-CG 4.43Å; F19-Y24 HydrophobicContact CG-CD2 4.39Å; F19-Y24 HydrophobicContact CG-CE2 4.26Å; F19-M26 HydrophobicContact CE2-SD 4.29Å; F19-M26 HydrophobicContact CZ-SD 4.43Å; F19-N69 PolarHBondContact O-ND2 2.82Å; F19-R90 VanDerWaalsContact CE1-NH1 3.33Å; F19-R90 HydrophobicContact CE2-CB 4.39Å; F19-R90 HydrophobicContact CZ-CB 4.24Å
20	N	94.5	Very high	95.4	Very high	73 Å²	73	44.3 Å²	44.3	39%	0.39	26%	0.259	S	S	.	.			trans	-82.1	124.4	170.7	-179.1	-1.9	0	0	0	109.4	K22 D23	N20-K22 PolarHBondContact O-N 3.17Å; N20-K22 PolarHBondContact OD1-N 2.89Å; N20-K22 VanDerWaalsContact OD1-N 3.12Å; N20-D23 PolarHBondContact O-N 2.8Å; N20-D23 VanDerWaalsContact O-N 3.13Å
21	I	95.1	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.1	-24.4	-176.3	-154.4	174.9	0	0	0	112.2	A16 D23 Y24 M26 P45 T66 N69 A71	A16-I21 HydrophobicContact CB-CB 4.07Å; A16-I21 HydrophobicContact CB-CD1 4.28Å; A16-I21 HydrophobicContact CB-CG1 4.08Å; I21-D23 PolarHBondContact O-N 3.21Å; I21-Y24 PolarHBondContact O-N 2.82Å; I21-M26 HydrophobicContact CD1-CE 4.49Å; I21-M26 HydrophobicContact CD1-CG 3.83Å; I21-M26 HydrophobicContact CD1-SD 4.27Å; I21-M26 HydrophobicContact CG1-CG 3.56Å; I21-M26 HydrophobicContact CG1-SD 3.78Å; I21-P45 HydrophobicContact CG1-CG 4.05Å; I21-P45 HydrophobicContact CG2-CB 4.08Å; I21-P45 WeakPolarHBondContact O-CG 3.49Å; I21-T66 HydrophobicContact CG2-CG2 4.32Å; I21-N69 WeakPolarHBondContact CB-OD1 2.99Å; I21-N69 VanDerWaalsContact CG2-OD1 3.29Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.34Å; I21-N69 PolarHBondContact N-OD1 3.09Å; I21-A71 HydrophobicContact CD1-CB 3.97Å
22	K	95.2	Very high	95	Very high	83 Å²	83	43.6 Å²	43.6	36%	0.361	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66	-22.5	176.4	-66.5	-171.7	175.9	-169	0	113.8	N20 Y24 T66	N20-K22 PolarHBondContact O-N 3.17Å; N20-K22 PolarHBondContact OD1-N 2.89Å; N20-K22 VanDerWaalsContact OD1-N 3.12Å; K22-Y24 PolarHBondContact O-N 3.05Å; K22-T66 HydrophobicContact CD-CG2 4.23Å; K22-T66 VanDerWaalsContact CE-CG2 3.48Å; K22-T66 WeakPolarHBondContact CE-OG1 3.41Å; K22-T66 HydrophobicContact CG-CG2 3.71Å
23	D	92.9	Very high	94.1	Very high	99 Å²	99	50.2 Å²	50.2	53%	0.529	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-83.4	0.9	-175.3	-54.4	-23.4	0	0	0	112.8	N20 I21	N20-D23 PolarHBondContact O-N 2.8Å; N20-D23 VanDerWaalsContact O-N 3.13Å; I21-D23 PolarHBondContact O-N 3.21Å
24	Y	92.8	Very high	93.3	Very high	51 Å²	51	55.9 Å²	55.9	20%	0.2	32%	0.315	C	S	.	.	S	Bend	trans	-145.9	149.9	-171.1	-61.2	-90.2	0	0	0	112.2	F19 I21 K22 P45 R90 K92	F19-Y24 HydrophobicContact CB-CE2 4.1Å; F19-Y24 AromaticContact CD2-CD2 3.46Å; F19-Y24 HydrophobicContact CD2-CD2 3.46Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; F19-Y24 AromaticContact CD2-CE2 3.75Å; F19-Y24 HydrophobicContact CD2-CE2 3.75Å; F19-Y24 HydrophobicContact CD2-CG 4.36Å; F19-Y24 AromaticContact CE2-CD2 3.92Å; F19-Y24 HydrophobicContact CE2-CD2 3.92Å; F19-Y24 HydrophobicContact CE2-CG 4.43Å; F19-Y24 HydrophobicContact CG-CD2 4.39Å; F19-Y24 HydrophobicContact CG-CE2 4.26Å; I21-Y24 PolarHBondContact O-N 2.82Å; K22-Y24 PolarHBondContact O-N 3.05Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-R90 HydrophobicContact CD1-CG 4.21Å; Y24-R90 HydrophobicContact CG-CB 4.48Å; Y24-K92 HydrophobicContact CD1-CD 4.47Å; Y24-K92 HydrophobicContact CD1-CG 3.8Å; Y24-K92 HydrophobicContact CE1-CD 4.21Å; Y24-K92 HydrophobicContact CE1-CG 4Å
25	Y	94.4	Very high	92.3	Very high	46 Å²	46	59.8 Å²	59.8	18%	0.18	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.6	163.7	-61.9	-73.8	0	0	0	110.4	H27 R42 I43 D44 R90 G91 D93	Y25-H27 WeakPolarHBondContact CB-NE2 3.45Å; Y25-R42 VanDerWaalsContact CD1-CZ 3.48Å; Y25-R42 VanDerWaalsContact CD1-NE 3.32Å; Y25-I43 WeakPolarHBondContact CA-O 3.34Å; Y25-D44 HydrophobicContact CD1-CB 3.74Å; Y25-D44 HydrophobicContact CE1-CB 3.5Å; Y25-D44 VanDerWaalsContact CE1-CB 3.5Å; Y25-D44 VanDerWaalsContact CE1-CG 3.48Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.33Å; Y25-D44 PolarHBondContact OH-OD2 3.11Å; Y25-R90 WeakPolarHBondContact O-CA 3.32Å; Y25-G91 PolarHBondContact N-O 3.01Å; Y25-G91 PolarHBondContact O-N 2.94Å; Y25-D93 HydrophobicContact CD2-CB 3.83Å; Y25-D93 HydrophobicContact CE2-CB 3.29Å; Y25-D93 VanDerWaalsContact CE2-CG 3.46Å
26	M	96.3	Very high	91.9	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108	175.2	-62.7	-58	-58.9	0	0	109.2	F19 I21 R42 I43 P45 A71 R90	F19-M26 HydrophobicContact CE2-SD 4.29Å; F19-M26 HydrophobicContact CZ-SD 4.43Å; I21-M26 HydrophobicContact CD1-CE 4.49Å; I21-M26 HydrophobicContact CD1-CG 3.83Å; I21-M26 HydrophobicContact CD1-SD 4.27Å; I21-M26 HydrophobicContact CG1-CG 3.56Å; I21-M26 HydrophobicContact CG1-SD 3.78Å; M26-R42 CarbonylContact O-C 3.58Å; M26-R42 VanDerWaalsContact O-CA 3.24Å; M26-R42 WeakPolarHBondContact O-CA 3.49Å; M26-I43 HydrophobicContact CB-CG2 3.92Å; M26-I43 PolarHBondContact N-O 3.08Å; M26-I43 PolarHBondContact O-N 3.37Å; M26-P45 HydrophobicContact CG-CG 3.93Å; M26-A71 HydrophobicContact CB-CB 3.88Å; M26-A71 HydrophobicContact CG-CB 4.1Å; M26-R90 HydrophobicContact SD-CB 3.98Å
27	H	96.4	Very high	91.9	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.028	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	148.2	-179.9	-59.7	-103.3	0	0	0	110.5	Y25 W39 G41 C88 A89 M101	Y25-H27 WeakPolarHBondContact CB-NE2 3.45Å; H27-W39 AromaticContact CG-NE1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3Å; H27-G41 WeakPolarHBondContact CA-O 3.04Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 3.28Å; H27-A89 PolarHBondContact N-O 2.97Å; H27-A89 PolarHBondContact O-N 2.86Å; H27-M101 HydrophobicContact CB-CE 3.88Å; H27-M101 HydrophobicContact CB-SD 4.2Å
28	W	97.8	Very high	91.9	Very high	5 Å²	5	59 Å²	59	2%	0.019	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.1	170.9	-72.8	93.4	0	0	0	110.2	L12 C14 I40 G41 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ3 3.9Å; L12-W28 HydrophobicContact CD1-CZ3 4.3Å; C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.49Å; W28-I40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.92Å; W28-L73 HydrophobicContact CB-CD2 4.12Å; W28-L73 HydrophobicContact CD2-CB 3.43Å; W28-L73 VanDerWaalsContact CD2-CB 3.43Å; W28-L73 HydrophobicContact CD2-CD2 3.87Å; W28-L73 HydrophobicContact CD2-CG 4.21Å; W28-L73 VanDerWaalsContact CE2-CB 3.45Å; W28-L73 HydrophobicContact CE3-CB 3.7Å; W28-L73 HydrophobicContact CE3-CD2 3.64Å; W28-L73 HydrophobicContact CE3-CG 4.31Å; W28-L73 HydrophobicContact CG-CB 3.92Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 3.98Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 3.96Å; W28-L73 HydrophobicContact CZ3-CD2 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	96.9	Very high	92.1	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.4	-173.9	-177.2	0	0	0	0	109.3	L37 E38 Y86 Y87 M101 W104	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.14Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-Y87 PolarHBondContact N-O 3.47Å; V29-Y87 PolarHBondContact O-N 3.33Å; V29-M101 HydrophobicContact CG2-CE 4.39Å; V29-M101 HydrophobicContact CG2-SD 4.12Å; V29-W104 HydrophobicContact CB-CH2 3.99Å; V29-W104 HydrophobicContact CB-CZ3 3.74Å; V29-W104 HydrophobicContact CG1-CH2 3.93Å; V29-W104 HydrophobicContact CG1-CZ3 3.89Å; V29-W104 HydrophobicContact CG2-CH2 3.67Å; V29-W104 HydrophobicContact CG2-CZ3 3.84Å
30	K	96.4	Very high	92.4	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.3	176	-178.9	-179.8	-179.9	176.4	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 3.1Å; K30-E38 PolarHBondContact O-N 2.8Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.08Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; K30-E81 PolarHBondContact NZ-O 2.98Å; K30-D82 IonicContact NZ-OD1 3.39Å; K30-D82 PolarHBondContact NZ-OD1 2.66Å; K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 3.51Å; K30-Y86 HydrophobicContact CB-CD1 4.25Å; K30-Y86 HydrophobicContact CB-CE1 4Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.39Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å
31	Q	96.1	Very high	92.5	Very high	75 Å²	75	52.8 Å²	52.8	35%	0.35	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119	171.1	-168	-179.6	18	0	0	109.9	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-V85 PolarHBondContact N-O 2.85Å; Q31-V85 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CD2 4.29Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 3.34Å
32	R	91.5	Very high	92.5	Very high	33 Å²	33	53 Å²	53	13%	0.125	27%	0.269	C	S	.	.			trans	-91.9	150.9	170.4	-66.5	165.5	165.9	171.9	1.1	108.9	E34 Q35 E38 E81 A84	R32-E34 PolarHBondContact O-N 3.22Å; R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.41Å; R32-Q35 PolarHBondContact O-N 3.06Å; R32-Q35 VanDerWaalsContact O-N 3.13Å; R32-E38 IonicContact CZ-OE1 3.22Å; R32-E38 IonicContact NE-OE1 2.89Å; R32-E38 IonicContact NH1-OE1 2.56Å; R32-E81 VanDerWaalsContact CZ-O 3.23Å; R32-E81 PolarHBondContact NE-O 2.93Å; R32-E81 PolarHBondContact NH2-O 2.87Å; R32-E81 IonicContact NH2-OE2 2.66Å; R32-E81 PolarHBondContact NH2-OE2 3.41Å; R32-A84 HydrophobicContact CG-CB 4.09Å
33	T	78.2	Confident	92.6	Very high	145 Å²	145	49.5 Å²	49.5	89%	0.89	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.6	-173.9	-16	0	0	0	0	114.3
34	E	80.9	Confident	92.8	Very high	192 Å²	192	45.4 Å²	45.4	90%	0.897	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.3	2.1	-179.9	-60.2	-177.7	174.3	0	0	113.4	R32	R32-E34 PolarHBondContact O-N 3.22Å
35	Q	77.5	Confident	92.9	Very high	98 Å²	98	43.4 Å²	43.4	46%	0.458	23%	0.226	S	C	.	.	S	Bend	trans	-125.3	151.2	-179.1	-55.5	176	-10.9	0	0	109.3	R32	R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.41Å; R32-Q35 PolarHBondContact O-N 3.06Å; R32-Q35 VanDerWaalsContact O-N 3.13Å
36	G	87.6	Confident	93	Very high	56 Å²	56	48 Å²	48	58%	0.577	25%	0.249	S	C	*	.			trans	-61.7	-175.8	179.2	0	0	0	0	0	113.2	E38	G36-E38 PolarHBondContact O-N 2.56Å
37	L	93.4	Very high	92.9	Very high	100 Å²	100	53.3 Å²	53.3	52%	0.524	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.2	173.9	-63.6	174.7	0	0	0	110.2	V29 Q31 W104	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; L37-W104 HydrophobicContact CD1-CH2 3.91Å; L37-W104 HydrophobicContact CD1-CZ3 4.37Å
38	E	95	Very high	92.9	Very high	38 Å²	38	55.1 Å²	55.1	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.6	173.7	-63	-171.6	-117.4	0	0	109.4	V29 K30 R32 G36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.14Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 3.1Å; K30-E38 PolarHBondContact O-N 2.8Å; R32-E38 IonicContact CZ-OE1 3.22Å; R32-E38 IonicContact NE-OE1 2.89Å; R32-E38 IonicContact NH1-OE1 2.56Å; G36-E38 PolarHBondContact O-N 2.56Å; E38-I40 PolarHBondContact O-N 3.27Å; E38-K55 IonicContact OE1-NZ 3.48Å; E38-K55 PolarHBondContact OE1-NZ 3.48Å; E38-K55 IonicContact OE2-NZ 3.83Å; E38-K55 PolarHBondContact OE2-NZ 2.89Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.46Å
39	W	95.1	Very high	92.8	Very high	72 Å²	72	58.6 Å²	58.6	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.8	175.1	-177.8	69.1	0	0	0	110.4	H27 G41 R42 K51 A53	H27-W39 AromaticContact CG-NE1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.79Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 3.94Å; W39-K51 HydrophobicContact CH2-CB 4Å; W39-A53 HydrophobicContact CE3-CB 3.89Å; W39-A53 HydrophobicContact CZ3-CB 4.18Å; W39-A53 WeakPolarHBondContact O-CB 3.24Å
40	I	97.1	Very high	92.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-49	179.5	-63.2	171	0	0	0	110	W28 K30 E38 Y52 A53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.49Å; W28-I40 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; E38-I40 PolarHBondContact O-N 3.27Å; I40-Y52 WeakPolarHBondContact O-CA 3.48Å; I40-A53 PolarHBondContact O-N 2.9Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.09Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 3.92Å; I40-F56 HydrophobicContact CG1-CE2 4.03Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 3.89Å; I40-F56 HydrophobicContact CG2-CB 3.89Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; I40-A60 HydrophobicContact CG2-CB 3.69Å; I40-L73 HydrophobicContact CD1-CD2 3.69Å; I40-L73 HydrophobicContact CG2-CD1 4.16Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å
41	G	96.2	Very high	92.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-179.8	-171.3	0	0	0	0	0	112.6	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.04Å; W28-G41 PolarHBondContact N-O 2.92Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.79Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.46Å
42	R	95.8	Very high	92.7	Very high	5 Å²	5	64.8 Å²	64.8	2%	0.019	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.5	172.9	71	127.5	172.6	97.5	-10.6	111.7	Y25 M26 W39 E49 T50 K51 D93	Y25-R42 VanDerWaalsContact CD1-CZ 3.48Å; Y25-R42 VanDerWaalsContact CD1-NE 3.32Å; M26-R42 CarbonylContact O-C 3.58Å; M26-R42 VanDerWaalsContact O-CA 3.24Å; M26-R42 WeakPolarHBondContact O-CA 3.49Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 3.94Å; R42-E49 IonicContact CZ-OE2 2.76Å; R42-E49 VanDerWaalsContact CZ-OE2 3.25Å; R42-E49 PolarHBondContact NH1-O 3.04Å; R42-E49 IonicContact NH1-OE2 3.69Å; R42-E49 PolarHBondContact NH1-OE2 2.82Å; R42-E49 IonicContact NH2-OE1 3.79Å; R42-E49 IonicContact NH2-OE2 3.97Å; R42-E49 PolarHBondContact NH2-OE2 2.84Å; R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.46Å; R42-K51 HydrophobicContact CG-CB 4.17Å; R42-K51 PolarHBondContact N-O 3.47Å; R42-K51 VanDerWaalsContact NH2-NZ 3.17Å; R42-K51 PolarHBondContact O-N 2.88Å; R42-D93 IonicContact CZ-OD2 2.93Å; R42-D93 IonicContact NE-OD2 2.8Å; R42-D93 PolarHBondContact NE-OD2 2.82Å; R42-D93 IonicContact NH2-OD2 3.25Å; R42-D93 PolarHBondContact NH2-OD2 2.87Å
43	I	96.8	Very high	92.9	Very high	9 Å²	9	64.1 Å²	64.1	5%	0.046	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.5	165.4	-174.5	162.9	0	0	0	109.6	Y25 M26 P45 E49 T50 I62 A64	Y25-I43 WeakPolarHBondContact CA-O 3.34Å; M26-I43 HydrophobicContact CB-CG2 3.92Å; M26-I43 PolarHBondContact N-O 3.08Å; M26-I43 PolarHBondContact O-N 3.37Å; I43-P45 HydrophobicContact CG2-CG 4.44Å; I43-P45 WeakPolarHBondContact O-CD 3.41Å; I43-E49 CarbonylContact C-O 3.6Å; I43-E49 WeakPolarHBondContact CA-O 3.4Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-I62 HydrophobicContact CB-CG2 3.64Å; I43-I62 HydrophobicContact CG2-CG2 3.52Å; I43-A64 HydrophobicContact CD1-CB 3.96Å; I43-A64 HydrophobicContact CG2-CB 4.32Å
44	D	96.1	Very high	93.7	Very high	13 Å²	13	62.6 Å²	62.6	7%	0.07	34%	0.337	C	S	.	.			trans	-87.2	109.1	158	-163.4	-32.2	0	0	0	108.9	Y25 E46 D47 G48 E49	Y25-D44 HydrophobicContact CD1-CB 3.74Å; Y25-D44 HydrophobicContact CE1-CB 3.5Å; Y25-D44 VanDerWaalsContact CE1-CB 3.5Å; Y25-D44 VanDerWaalsContact CE1-CG 3.48Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.33Å; Y25-D44 PolarHBondContact OH-OD2 3.11Å; D44-E46 PolarHBondContact O-N 3.3Å; D44-E46 VanDerWaalsContact OD1-CB 3.28Å; D44-E46 WeakPolarHBondContact OD1-CB 3.42Å; D44-E46 PolarHBondContact OD1-N 3.02Å; D44-D47 VanDerWaalsContact CB-OD1 3.32Å; D44-D47 WeakPolarHBondContact CB-OD1 3.39Å; D44-G48 WeakPolarHBondContact O-CA 3.07Å; D44-G48 PolarHBondContact O-N 3.38Å; D44-E49 HydrophobicContact CB-CB 4.15Å; D44-E49 PolarHBondContact N-O 3.15Å
45	P	96.6	Very high	94.3	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.058	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.9	179.7	-20.1	36.8	0	0	0	113.4	I21 Y24 M26 I43 A64 T66	I21-P45 HydrophobicContact CG1-CG 4.05Å; I21-P45 HydrophobicContact CG2-CB 4.08Å; I21-P45 WeakPolarHBondContact O-CG 3.49Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; M26-P45 HydrophobicContact CG-CG 3.93Å; I43-P45 HydrophobicContact CG2-CG 4.44Å; I43-P45 WeakPolarHBondContact O-CD 3.41Å; P45-A64 HydrophobicContact CB-CB 3.86Å; P45-A64 HydrophobicContact CG-CB 4.12Å; P45-T66 HydrophobicContact CB-CG2 4.04Å; P45-T66 VanDerWaalsContact O-CG2 3.23Å; P45-T66 WeakPolarHBondContact O-CG2 3.4Å
46	E	95.4	Very high	95.2	Very high	143 Å²	143	54.3 Å²	54.3	67%	0.668	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-48.8	178.1	-174	172.7	-157.3	0	0	111.6	D44	D44-E46 PolarHBondContact O-N 3.3Å; D44-E46 VanDerWaalsContact OD1-CB 3.28Å; D44-E46 WeakPolarHBondContact OD1-CB 3.42Å; D44-E46 PolarHBondContact OD1-N 3.02Å
47	D	94.8	Very high	95.5	Very high	116 Å²	116	58.6 Å²	58.6	62%	0.62	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-8.1	-175.3	70.2	7.1	0	0	0	114.5	D44 E49	D44-D47 VanDerWaalsContact CB-OD1 3.32Å; D44-D47 WeakPolarHBondContact CB-OD1 3.39Å; D47-E49 VanDerWaalsContact OD1-CB 3.27Å; D47-E49 WeakPolarHBondContact OD1-CB 3.39Å; D47-E49 PolarHBondContact OD1-N 3.5Å
48	G	95.3	Very high	95.5	Very high	44 Å²	44	57.4 Å²	57.4	45%	0.454	31%	0.313	S	S	.	.			trans	84.6	7.4	179.5	0	0	0	0	0	114.8	D44 T50	D44-G48 WeakPolarHBondContact O-CA 3.07Å; D44-G48 PolarHBondContact O-N 3.38Å; G48-T50 PolarHBondContact O-N 2.91Å
49	E	95.6	Very high	95.5	Very high	77 Å²	77	57.8 Å²	57.8	36%	0.36	31%	0.314	S	S	.	.			trans	-61.6	128.1	179.1	-166.7	-146.2	178.9	0	0	110.8	R42 I43 D44 D47 K51	R42-E49 IonicContact CZ-OE2 2.76Å; R42-E49 VanDerWaalsContact CZ-OE2 3.25Å; R42-E49 PolarHBondContact NH1-O 3.04Å; R42-E49 IonicContact NH1-OE2 3.69Å; R42-E49 PolarHBondContact NH1-OE2 2.82Å; R42-E49 IonicContact NH2-OE1 3.79Å; R42-E49 IonicContact NH2-OE2 3.97Å; R42-E49 PolarHBondContact NH2-OE2 2.84Å; I43-E49 CarbonylContact C-O 3.6Å; I43-E49 WeakPolarHBondContact CA-O 3.4Å; D44-E49 HydrophobicContact CB-CB 4.15Å; D44-E49 PolarHBondContact N-O 3.15Å; D47-E49 VanDerWaalsContact OD1-CB 3.27Å; D47-E49 WeakPolarHBondContact OD1-CB 3.39Å; D47-E49 PolarHBondContact OD1-N 3.5Å; E49-K51 WeakPolarHBondContact OE1-CE 3.14Å; E49-K51 IonicContact OE1-NZ 3.64Å
50	T	96.4	Very high	95.7	Very high	53 Å²	53	54.6 Å²	54.6	33%	0.325	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.2	176.9	53	0	0	0	0	112	R42 I43 G48 Y52 I62	R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.46Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; G48-T50 PolarHBondContact O-N 2.91Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; T50-I62 HydrophobicContact CG2-CB 4.49Å
51	K	95.3	Very high	95.7	Very high	95 Å²	95	58 Å²	58	41%	0.413	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.5	170.2	-65.5	-176.2	-178.8	164.5	0	109.2	W39 G41 R42 E49	W39-K51 HydrophobicContact CH2-CB 4Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.46Å; R42-K51 HydrophobicContact CG-CB 4.17Å; R42-K51 PolarHBondContact N-O 3.47Å; R42-K51 VanDerWaalsContact NH2-NZ 3.17Å; R42-K51 PolarHBondContact O-N 2.88Å; E49-K51 WeakPolarHBondContact OE1-CE 3.14Å; E49-K51 IonicContact OE1-NZ 3.64Å
52	Y	96.5	Very high	95.8	Very high	63 Å²	63	58.1 Å²	58.1	25%	0.247	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.9	-178.1	-60.7	-88.7	0	0	0	110.1	I40 T50 A60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; Y52-A60 HydrophobicContact CD1-CB 4.31Å; Y52-A60 HydrophobicContact CE1-CB 4.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-I62 HydrophobicContact CD1-CD1 4.22Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.82Å; Y52-I62 HydrophobicContact CE1-CG1 3.86Å; Y52-I62 PolarHBondContact OH-N 2.88Å; Y52-I62 VanDerWaalsContact OH-N 3.11Å
53	A	95.7	Very high	96	Very high	18 Å²	18	60.8 Å²	60.8	15%	0.149	34%	0.342	C	S	.	.			trans	-69.3	142.6	161	0	0	0	0	0	109.4	W39 I40 K55 F56 Q57	W39-A53 HydrophobicContact CE3-CB 3.89Å; W39-A53 HydrophobicContact CZ3-CB 4.18Å; W39-A53 WeakPolarHBondContact O-CB 3.24Å; I40-A53 PolarHBondContact O-N 2.9Å; A53-K55 PolarHBondContact O-N 3.45Å; A53-F56 HydrophobicContact CB-CD2 4.1Å; A53-F56 PolarHBondContact O-N 2.87Å; A53-Q57 PolarHBondContact O-N 2.81Å
54	P	95.6	Very high	96	Very high	113 Å²	113	62 Å²	62	73%	0.734	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-52.2	-35.3	-176.3	-30	35.4	0	0	0	114.3	F56 Q57	P54-F56 PolarHBondContact O-N 2.8Å; P54-Q57 PolarHBondContact O-N 2.82Å
55	K	93.2	Very high	96.1	Very high	111 Å²	111	64 Å²	64	48%	0.483	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27.8	178.5	-177	177.2	177	-176.7	0	113.9	E38 A53	E38-K55 IonicContact OE1-NZ 3.48Å; E38-K55 PolarHBondContact OE1-NZ 3.48Å; E38-K55 IonicContact OE2-NZ 3.83Å; E38-K55 PolarHBondContact OE2-NZ 2.89Å; A53-K55 PolarHBondContact O-N 3.45Å
56	F	95.4	Very high	96.1	Very high	5 Å²	5	66 Å²	66	2%	0.022	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-105.7	-2.1	-175	-63.6	-83	0	0	0	113	K30 E38 I40 A53 P54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.08Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.09Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 3.92Å; I40-F56 HydrophobicContact CG1-CE2 4.03Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 3.89Å; I40-F56 HydrophobicContact CG2-CB 3.89Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; A53-F56 HydrophobicContact CB-CD2 4.1Å; A53-F56 PolarHBondContact O-N 2.87Å; P54-F56 PolarHBondContact O-N 2.8Å; F56-G58 PolarHBondContact O-N 3.47Å; F56-K59 PolarHBondContact O-N 3.01Å; F56-K59 VanDerWaalsContact O-N 3.07Å; F56-A60 HydrophobicContact CB-CB 4.08Å; F56-A60 PolarHBondContact O-N 3.36Å
57	Q	94.6	Very high	96.2	Very high	146 Å²	146	64.4 Å²	64.4	68%	0.682	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	127.9	177.3	-163	167.2	5.4	0	0	110.1	A53 P54 K59	A53-Q57 PolarHBondContact O-N 2.81Å; P54-Q57 PolarHBondContact O-N 2.82Å; Q57-K59 PolarHBondContact O-N 3.19Å
58	G	93.1	Very high	96.3	Very high	75 Å²	75	61.1 Å²	61.1	77%	0.773	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-15	-175.4	0	0	0	0	0	115.3	F56	F56-G58 PolarHBondContact O-N 3.47Å
59	K	95.9	Very high	96.4	Very high	46 Å²	46	60.7 Å²	60.7	20%	0.2	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-38.4	175.5	-171.7	170.1	-167.5	169.2	0	113	F56 Q57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.01Å; F56-K59 VanDerWaalsContact O-N 3.07Å; Q57-K59 PolarHBondContact O-N 3.19Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-S76 WeakPolarHBondContact CE-O 2.95Å; K59-S76 PolarHBondContact O-N 3.27Å; K59-S76 PolarHBondContact O-OG 3.06Å; K59-D82 WeakPolarHBondContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD2 3.3Å; K59-D82 IonicContact NZ-OD1 2.97Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.36Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å
60	A	97.9	Very high	96.5	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.7	179.5	0	0	0	0	0	110.9	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.69Å; Y52-A60 HydrophobicContact CD1-CB 4.31Å; Y52-A60 HydrophobicContact CE1-CB 4.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.08Å; F56-A60 PolarHBondContact O-N 3.36Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; A60-Q74 CarbonylContact C-O 3.38Å; A60-Q74 WeakPolarHBondContact CA-O 3.39Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61	T	98.4	Very high	96.6	Very high	71 Å²	71	54.8 Å²	54.8	44%	0.436	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.2	166.9	-57.9	0	0	0	0	107.9	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.19Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 2.94Å
62	I	98.5	Very high	96.7	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.1	177.5	-58.2	166.6	0	0	0	108.7	I43 T50 Y52 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.64Å; I43-I62 HydrophobicContact CG2-CG2 3.52Å; T50-I62 HydrophobicContact CG2-CB 4.49Å; Y52-I62 HydrophobicContact CD1-CD1 4.22Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.82Å; Y52-I62 HydrophobicContact CE1-CG1 3.86Å; Y52-I62 PolarHBondContact OH-N 2.88Å; Y52-I62 VanDerWaalsContact OH-N 3.11Å; I62-Y72 WeakPolarHBondContact CA-O 3.41Å; I62-L73 HydrophobicContact CG1-CD1 3.9Å
63	T	98.4	Very high	96.8	Very high	61 Å²	61	49.6 Å²	49.6	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	166.7	175.6	62.9	0	0	0	0	110.8	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.19Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.2Å; T63-Y72 PolarHBondContact N-O 3.26Å; T63-Y72 PolarHBondContact O-N 3.4Å
64	A	98.1	Very high	96.9	Very high	33 Å²	33	52.9 Å²	52.9	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.2	174.5	0	0	0	0	0	110.3	I43 P45 T70	I43-A64 HydrophobicContact CD1-CB 3.96Å; I43-A64 HydrophobicContact CG2-CB 4.32Å; P45-A64 HydrophobicContact CB-CB 3.86Å; P45-A64 HydrophobicContact CG-CB 4.12Å; A64-T70 CarbonylContact C-O 3.59Å; A64-T70 WeakPolarHBondContact CA-O 3.24Å
65	D	97.8	Very high	97.1	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.7	168.2	174.4	9.6	0	0	0	108.4	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.15Å; D65-S67 PolarHBondContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.49Å; D65-S67 PolarHBondContact OD2-OG 3.41Å; D65-S68 WeakPolarHBondContact CB-OG 2.98Å; D65-S68 PolarHBondContact OD1-N 2.9Å; D65-S68 WeakPolarHBondContact OD2-CB 3.44Å; D65-S68 PolarHBondContact OD2-OG 3.34Å; D65-N69 PolarHBondContact O-N 2.93Å; D65-T70 PolarHBondContact N-O 3.38Å; D65-T70 PolarHBondContact O-N 3.03Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66	T	96.8	Very high	97.2	Very high	52 Å²	52	44 Å²	44	32%	0.319	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19	-176.1	64.5	0	0	0	0	112.7	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.32Å; K22-T66 HydrophobicContact CD-CG2 4.23Å; K22-T66 VanDerWaalsContact CE-CG2 3.48Å; K22-T66 WeakPolarHBondContact CE-OG1 3.41Å; K22-T66 HydrophobicContact CG-CG2 3.71Å; P45-T66 HydrophobicContact CB-CG2 4.04Å; P45-T66 VanDerWaalsContact O-CG2 3.23Å; P45-T66 WeakPolarHBondContact O-CG2 3.4Å
67	S	96.3	Very high	97.2	Very high	109 Å²	109	47.6 Å²	47.6	76%	0.762	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-37.7	175	72.7	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.15Å; D65-S67 PolarHBondContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.49Å; D65-S67 PolarHBondContact OD2-OG 3.41Å
68	S	97.3	Very high	97.3	Very high	46 Å²	46	40.7 Å²	40.7	32%	0.322	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.7	175	64.1	0	0	0	0	113.5	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 2.98Å; D65-S68 PolarHBondContact OD1-N 2.9Å; D65-S68 WeakPolarHBondContact OD2-CB 3.44Å; D65-S68 PolarHBondContact OD2-OG 3.34Å; S68-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-OG1 3.07Å
69	N	97.1	Very high	97.4	Very high	35 Å²	35	39.9 Å²	39.9	19%	0.187	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	39	179.9	-148.5	43.3	0	0	0	112.9	A16 F19 I21 D65	A16-N69 VanDerWaalsContact CB-ND2 3.3Å; A16-N69 WeakPolarHBondContact CB-ND2 3.33Å; A16-N69 PolarHBondContact N-O 2.96Å; A16-N69 PolarHBondContact O-ND2 3.27Å; F19-N69 PolarHBondContact O-ND2 2.82Å; I21-N69 WeakPolarHBondContact CB-OD1 2.99Å; I21-N69 VanDerWaalsContact CG2-OD1 3.29Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.34Å; I21-N69 PolarHBondContact N-OD1 3.09Å; D65-N69 PolarHBondContact O-N 2.93Å
70	T	98.2	Very high	97.3	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.1	-168.9	-61.7	0	0	0	0	112.1	C14 T15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.28Å; T15-T70 WeakPolarHBondContact CB-OG1 3.17Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.42Å; T15-T70 PolarHBondContact OG1-OG1 2.76Å; A64-T70 CarbonylContact C-O 3.59Å; A64-T70 WeakPolarHBondContact CA-O 3.24Å; D65-T70 PolarHBondContact N-O 3.38Å; D65-T70 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-OG1 3.07Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 2.93Å
71	A	98.1	Very high	97	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	151.2	168.7	0	0	0	0	0	110.7	S13 C14 I21 M26 T63	S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.47Å; C14-A71 PolarHBondContact N-O 3Å; C14-A71 PolarHBondContact O-N 3.27Å; I21-A71 HydrophobicContact CD1-CB 3.97Å; M26-A71 HydrophobicContact CB-CB 3.88Å; M26-A71 HydrophobicContact CG-CB 4.1Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.2Å
72	Y	98.5	Very high	96.9	Very high	50 Å²	50	44.2 Å²	44.2	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.9	-179.1	-56.2	-84.8	0	0	0	111.2	K11 L12 I62 T63 D65 T70	K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; L12-Y72 CarbonylContact O-C 3.52Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; I62-Y72 WeakPolarHBondContact CA-O 3.41Å; T63-Y72 PolarHBondContact N-O 3.26Å; T63-Y72 PolarHBondContact O-N 3.4Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 2.93Å
73	L	98.6	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.8	168.9	168.9	67.9	0	0	0	108.3	K11 L12 W28 I40 A60 I62 L75 Y86	K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.24Å; L12-L73 HydrophobicContact CB-CB 4.49Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.66Å; L12-L73 PolarHBondContact O-N 3.39Å; W28-L73 HydrophobicContact CB-CD2 4.12Å; W28-L73 HydrophobicContact CD2-CB 3.43Å; W28-L73 VanDerWaalsContact CD2-CB 3.43Å; W28-L73 HydrophobicContact CD2-CD2 3.87Å; W28-L73 HydrophobicContact CD2-CG 4.21Å; W28-L73 VanDerWaalsContact CE2-CB 3.45Å; W28-L73 HydrophobicContact CE3-CB 3.7Å; W28-L73 HydrophobicContact CE3-CD2 3.64Å; W28-L73 HydrophobicContact CE3-CG 4.31Å; W28-L73 HydrophobicContact CG-CB 3.92Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 3.98Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 3.96Å; W28-L73 HydrophobicContact CZ3-CD2 4.3Å; I40-L73 HydrophobicContact CD1-CD2 3.69Å; I40-L73 HydrophobicContact CG2-CD1 4.16Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; I62-L73 HydrophobicContact CG1-CD1 3.9Å; L73-L75 HydrophobicContact CD1-CD2 4.12Å; L73-L75 HydrophobicContact CD1-CG 4.34Å; L73-L75 HydrophobicContact CD2-CD1 4.2Å; L73-L75 HydrophobicContact CD2-CD2 4.38Å; L73-L75 HydrophobicContact CD2-CG 4.19Å; L73-L75 HydrophobicContact CG-CD2 4.36Å; L73-L75 HydrophobicContact CG-CG 4.09Å; L73-Y86 HydrophobicContact CD2-CD1 4.07Å
74	Q	98.3	Very high	96.7	Very high	87 Å²	87	43.5 Å²	43.5	41%	0.407	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.5	169.1	-176.1	172.9	-0.3	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.28Å; A60-Q74 CarbonylContact C-O 3.38Å; A60-Q74 WeakPolarHBondContact CA-O 3.39Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 2.94Å
75	L	97.8	Very high	96.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.6	173.1	-63.2	164.2	0	0	0	108.6	S9 V10 K59 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.33Å; S9-L75 WeakPolarHBondContact CB-O 3.15Å; V10-L75 HydrophobicContact CG1-CB 3.82Å; V10-L75 HydrophobicContact CG1-CD1 4.09Å; V10-L75 HydrophobicContact CG1-CG 4.39Å; V10-L75 PolarHBondContact N-O 2.95Å; V10-L75 PolarHBondContact O-N 2.89Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; L73-L75 HydrophobicContact CD1-CD2 4.12Å; L73-L75 HydrophobicContact CD1-CG 4.34Å; L73-L75 HydrophobicContact CD2-CD1 4.2Å; L73-L75 HydrophobicContact CD2-CD2 4.38Å; L73-L75 HydrophobicContact CD2-CG 4.19Å; L73-L75 HydrophobicContact CG-CD2 4.36Å; L73-L75 HydrophobicContact CG-CG 4.09Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 3.99Å; L75-Y86 HydrophobicContact CD1-CE1 3.38Å; L75-Y86 HydrophobicContact CD1-CE2 4.43Å
76	S	96.8	Very high	96.6	Very high	36 Å²	36	41.3 Å²	41.3	25%	0.252	25%	0.247	S	C	.	.			trans	-106	160.2	179	61.8	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.02Å; K59-S76 WeakPolarHBondContact CE-O 2.95Å; K59-S76 PolarHBondContact O-N 3.27Å; K59-S76 PolarHBondContact O-OG 3.06Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.77Å
77	S	95.8	Very high	96.7	Very high	80 Å²	80	40.9 Å²	40.9	56%	0.559	24%	0.24	S	C	*	.	S	Bend	trans	50.2	51.2	172.5	-57.6	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 2.88Å
78	L	96.1	Very high	96.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.208	C	C	.	.			trans	-63.2	140.7	-173.9	-68.7	174.1	0	0	0	112.3	V4 P6 G7 A8 V10 L75 S76 D82 V112	V4-L78 HydrophobicContact CB-CD1 4.41Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.48Å; G7-L78 PolarHBondContact N-O 3.42Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.34Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; V10-L78 HydrophobicContact CG1-CG 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.77Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; L78-V112 HydrophobicContact CB-CG1 4.24Å; L78-V112 HydrophobicContact CB-CG2 3.98Å; L78-V112 HydrophobicContact CD1-CG2 4.29Å
79	T	95.3	Very high	96.6	Very high	58 Å²	58	34.2 Å²	34.2	36%	0.356	19%	0.193	S	C	.	.			trans	-120.3	169.8	174.5	66.6	0	0	0	0	110.1	E81 D82 V112	T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 2.93Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact OG1-OD2 3.25Å; T79-V112 WeakPolarHBondContact O-CB 3.34Å; T79-V112 WeakPolarHBondContact O-CG2 3.01Å
80	S	93.6	Very high	96.4	Very high	89 Å²	89	34.2 Å²	34.2	62%	0.622	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-52.9	-32.3	175.9	51	0	0	0	0	112.5	D82 T83	S80-D82 PolarHBondContact O-N 3.4Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.32Å; S80-T83 PolarHBondContact O-N 2.8Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.76Å; S80-T83 VanDerWaalsContact O-OG1 3.08Å
81	E	92.1	Very high	95.9	Very high	120 Å²	120	34 Å²	34	56%	0.561	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-64.4	-15.1	175.2	-69.8	-166.1	-159.5	0	0	114.8	K30 R32 T79 T83	K30-E81 PolarHBondContact NZ-O 2.98Å; R32-E81 VanDerWaalsContact CZ-O 3.23Å; R32-E81 PolarHBondContact NE-O 2.93Å; R32-E81 PolarHBondContact NH2-O 2.87Å; R32-E81 IonicContact NH2-OE2 2.66Å; R32-E81 PolarHBondContact NH2-OE2 3.41Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-T83 VanDerWaalsContact C-N 3.31Å
82	D	94.6	Very high	95.2	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-87.2	-2.3	174.6	-57.7	-50.3	0	0	0	113.8	K30 K59 L78 T79 S80 A84 Y86 V112	K30-D82 IonicContact NZ-OD1 3.39Å; K30-D82 PolarHBondContact NZ-OD1 2.66Å; K59-D82 WeakPolarHBondContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD2 3.3Å; K59-D82 IonicContact NZ-OD1 2.97Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.36Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; T79-D82 PolarHBondContact N-OD2 2.93Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact OG1-OD2 3.25Å; S80-D82 PolarHBondContact O-N 3.4Å; D82-A84 PolarHBondContact O-N 2.99Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.84Å; D82-V112 HydrophobicContact CB-CG2 4.14Å
83	T	95.9	Very high	93.7	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	21%	0.207	S	C	.	.			trans	-63.1	112.8	169.4	-60.6	0	0	0	0	109.7	S80 E81 V110 T111 V112	S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.32Å; S80-T83 PolarHBondContact O-N 2.8Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.76Å; S80-T83 VanDerWaalsContact O-OG1 3.08Å; E81-T83 VanDerWaalsContact C-N 3.31Å; T83-V110 VanDerWaalsContact CA-O 3.28Å; T83-V110 WeakPolarHBondContact CA-O 3.39Å; T83-T111 HydrophobicContact CG2-CG2 4.3Å; T83-V112 PolarHBondContact OG1-N 3.41Å
84	A	96.8	Very high	92.1	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	168.6	-172.4	0	0	0	0	0	110.9	K30 Q31 R32 D82 Y86 V110	K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 3.51Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; R32-A84 HydrophobicContact CG-CB 4.09Å; D82-A84 PolarHBondContact O-N 2.99Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-V110 PolarHBondContact N-O 3.45Å; A84-V110 PolarHBondContact O-N 2.93Å
85	V	97.5	Very high	90.5	Very high	40 Å²	40	44.4 Å²	44.4	24%	0.242	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.8	161.8	-170.5	0	0	0	0	108.7	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.85Å; Q31-V85 PolarHBondContact O-N 3.11Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 4Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.06Å
86	Y	97.9	Very high	88.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.4	179.6	-68.5	-95.4	0	0	0	109.6	L12 V29 K30 I40 L73 L75 D82 A84 G107 T108 V110	L12-Y86 VanDerWaalsContact CD1-CB 3.41Å; L12-Y86 HydrophobicContact CD1-CD1 4.31Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.25Å; K30-Y86 HydrophobicContact CB-CE1 4Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.39Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å; L73-Y86 HydrophobicContact CD2-CD1 4.07Å; L75-Y86 HydrophobicContact CD1-CD1 3.99Å; L75-Y86 HydrophobicContact CD1-CE1 3.38Å; L75-Y86 HydrophobicContact CD1-CE2 4.43Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; Y86-G107 CarbonylContact O-C 3.59Å; Y86-G107 VanDerWaalsContact O-CA 3.24Å; Y86-G107 WeakPolarHBondContact O-CA 3.23Å; Y86-T108 PolarHBondContact N-O 2.8Å; Y86-T108 PolarHBondContact O-N 2.83Å; Y86-V110 HydrophobicContact CD2-CB 3.96Å; Y86-V110 HydrophobicContact CD2-CG2 3.74Å; Y86-V110 HydrophobicContact CE2-CB 3.76Å; Y86-V110 HydrophobicContact CE2-CG2 3.98Å
87	Y	97.5	Very high	86.2	Confident	43 Å²	43	52.6 Å²	52.6	17%	0.169	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.8	-179.2	-60.7	-88.3	0	0	0	110	W28 V29 Q31 V85 W104 G105 G107	W28-Y87 WeakPolarHBondContact CA-O 3.39Å; V29-Y87 PolarHBondContact N-O 3.47Å; V29-Y87 PolarHBondContact O-N 3.33Å; Q31-Y87 HydrophobicContact CB-CD2 4.29Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 3.34Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 4Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.06Å; Y87-W104 HydrophobicContact CD1-CE3 4.45Å; Y87-W104 HydrophobicContact CG-CE3 4.09Å; Y87-W104 HydrophobicContact CG-CZ3 4.32Å; Y87-G105 WeakPolarHBondContact CD1-O 3.39Å; Y87-G107 VanDerWaalsContact CD1-CA 3.41Å
88	C	96.8	Very high	84.3	Confident	13 Å²	13	57.8 Å²	57.8	9%	0.088	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.8	157.2	59.6	0	0	0	0	109.2	C14 H27 W28 G105	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.33Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 3.28Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G105 PolarHBondContact O-N 2.79Å
89	A	95.5	Very high	82.7	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.017	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.2	172.1	0	0	0	0	0	110.3	H27 M101 Y103 W104	H27-A89 PolarHBondContact N-O 2.97Å; H27-A89 PolarHBondContact O-N 2.86Å; A89-M101 HydrophobicContact CB-CB 3.99Å; A89-M101 HydrophobicContact CB-CG 4.18Å; A89-M101 HydrophobicContact CB-SD 4.02Å; A89-Y103 CarbonylContact C-O 3.37Å; A89-Y103 WeakPolarHBondContact CA-O 3.29Å; A89-Y103 WeakPolarHBondContact CB-O 3.18Å; A89-W104 HydrophobicContact CB-CD2 3.73Å; A89-W104 HydrophobicContact CB-CE3 4.12Å; A89-W104 HydrophobicContact CB-CG 4.02Å; A89-W104 HydrophobicContact CB-CZ2 4.26Å
90	R	92.4	Very high	81.4	Confident	36 Å²	36	58.7 Å²	58.7	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.5	172.2	86	-172.5	176.6	-177.3	-1.8	110.4	F19 Y24 Y25 M26 M101 D102 Y103	F19-R90 VanDerWaalsContact CE1-NH1 3.33Å; F19-R90 HydrophobicContact CE2-CB 4.39Å; F19-R90 HydrophobicContact CZ-CB 4.24Å; Y24-R90 HydrophobicContact CD1-CG 4.21Å; Y24-R90 HydrophobicContact CG-CB 4.48Å; Y25-R90 WeakPolarHBondContact O-CA 3.32Å; M26-R90 HydrophobicContact SD-CB 3.98Å; R90-M101 WeakPolarHBondContact O-CA 3.13Å; R90-D102 PolarHBondContact O-N 3.13Å; R90-Y103 HydrophobicContact CG-CD2 4.39Å; R90-Y103 PolarHBondContact N-O 2.81Å; R90-Y103 VanDerWaalsContact NH2-CZ 3.25Å
91	G	88.9	Confident	81	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.1	175.2	0	0	0	0	0	111.8	Y25	Y25-G91 PolarHBondContact N-O 3.01Å; Y25-G91 PolarHBondContact O-N 2.94Å
92	K	81.9	Confident	80.5	Confident	80 Å²	80	56.3 Å²	56.3	35%	0.348	32%	0.317	S	S	.	.			trans	-116.7	127.7	168.8	-71.5	-170.1	171.8	-174.8	0	108.7	Y24 Y94 G99	Y24-K92 HydrophobicContact CD1-CD 4.47Å; Y24-K92 HydrophobicContact CD1-CG 3.8Å; Y24-K92 HydrophobicContact CE1-CD 4.21Å; Y24-K92 HydrophobicContact CE1-CG 4Å; K92-Y94 HydrophobicContact CB-CD2 4.3Å; K92-Y94 HydrophobicContact CB-CE2 3.79Å; K92-Y94 PolarHBondContact O-N 2.82Å; K92-G99 WeakPolarHBondContact O-CA 3.27Å; K92-G99 PolarHBondContact O-N 3.18Å
93	D	67.9	Low	80.3	Confident	39 Å²	39	63 Å²	63	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.2	170.3	-69.8	-21.5	0	0	0	107.9	Y25 R42 G95	Y25-D93 HydrophobicContact CD2-CB 3.83Å; Y25-D93 HydrophobicContact CE2-CB 3.29Å; Y25-D93 VanDerWaalsContact CE2-CG 3.46Å; R42-D93 IonicContact CZ-OD2 2.93Å; R42-D93 IonicContact NE-OD2 2.8Å; R42-D93 PolarHBondContact NE-OD2 2.82Å; R42-D93 IonicContact NH2-OD2 3.25Å; R42-D93 PolarHBondContact NH2-OD2 2.87Å; D93-G95 VanDerWaalsContact C-N 3.31Å; D93-G95 PolarHBondContact O-N 2.76Å
94	Y	64.8	Low	80.2	Confident	166 Å²	166	65.6 Å²	65.6	65%	0.651	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	54	173	-67.1	-79.5	0	0	0	110.2	K92 S96 S97	K92-Y94 HydrophobicContact CB-CD2 4.3Å; K92-Y94 HydrophobicContact CB-CE2 3.79Å; K92-Y94 PolarHBondContact O-N 2.82Å; Y94-S96 PolarHBondContact O-N 3.36Å; Y94-S97 PolarHBondContact N-O 2.82Å
95	G	64.3	Low	80.1	Confident	71 Å²	71	66.6 Å²	66.6	73%	0.732	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-115	-178	0	0	0	0	0	113.3	D93 S97	D93-G95 VanDerWaalsContact C-N 3.31Å; D93-G95 PolarHBondContact O-N 2.76Å; G95-S97 VanDerWaalsContact C-N 3.3Å; G95-S97 PolarHBondContact O-N 2.84Å
96	S	49.9	Very low	80	Confident	136 Å²	136	73.6 Å²	73.6	95%	0.951	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.2	-173.8	56.2	0	0	0	0	115.2	Y94	Y94-S96 PolarHBondContact O-N 3.36Å
97	S	54	Low	79.9	Confident	73 Å²	73	74.9 Å²	74.9	51%	0.51	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.4	172.4	-172.2	0	0	0	0	108.8	Y94 G95 G99	Y94-S97 PolarHBondContact N-O 2.82Å; G95-S97 VanDerWaalsContact C-N 3.3Å; G95-S97 PolarHBondContact O-N 2.84Å; S97-G99 PolarHBondContact O-N 2.81Å
98	Y	56.2	Low	79.9	Confident	188 Å²	188	75.2 Å²	75.2	74%	0.737	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	114.1	157.6	-60.1	-78	0	0	0	106.2
99	G	62.1	Low	79.9	Confident	14 Å²	14	76.8 Å²	76.8	14%	0.144	42%	0.42	C	S	.	.			trans	-64.7	159.4	172.2	0	0	0	0	0	109.6	K92 S97 M101	K92-G99 WeakPolarHBondContact O-CA 3.27Å; K92-G99 PolarHBondContact O-N 3.18Å; S97-G99 PolarHBondContact O-N 2.81Å; G99-M101 PolarHBondContact O-N 2.85Å
100	A	69.4	Low	79.9	Confident	65 Å²	65	76.7 Å²	76.7	54%	0.537	42%	0.419	S	S	.	.			trans	-61	136.9	179	0	0	0	0	0	110.5	D102	A100-D102 VanDerWaalsContact C-N 3.27Å; A100-D102 WeakPolarHBondContact CB-OD1 3.49Å; A100-D102 PolarHBondContact O-N 3.12Å
101	M	84.1	Confident	80.1	Confident	56 Å²	56	77.4 Å²	77.4	28%	0.276	43%	0.428	S	S	.	.			trans	-76	85.6	168.1	-69.8	179.4	-164.5	0	0	107.8	H27 V29 A89 R90 G99 Y103 W104	H27-M101 HydrophobicContact CB-CE 3.88Å; H27-M101 HydrophobicContact CB-SD 4.2Å; V29-M101 HydrophobicContact CG2-CE 4.39Å; V29-M101 HydrophobicContact CG2-SD 4.12Å; A89-M101 HydrophobicContact CB-CB 3.99Å; A89-M101 HydrophobicContact CB-CG 4.18Å; A89-M101 HydrophobicContact CB-SD 4.02Å; R90-M101 WeakPolarHBondContact O-CA 3.13Å; G99-M101 PolarHBondContact O-N 2.85Å; M101-Y103 PolarHBondContact O-N 3.2Å; M101-W104 HydrophobicContact CB-CZ2 3.86Å; M101-W104 HydrophobicContact CG-CZ2 4.34Å; M101-W104 PolarHBondContact O-NE1 2.93Å; M101-W104 HydrophobicContact SD-CH2 3.87Å; M101-W104 HydrophobicContact SD-CZ2 3.48Å; M101-W104 WeakPolarHBondContact SD-CZ2 3.45Å
102	D	82.9	Confident	80.5	Confident	103 Å²	103	77.8 Å²	77.8	55%	0.551	43%	0.43	S	S	*	.			trans	-75.1	-25.9	-167.1	-63.5	-36.5	0	0	0	113.3	R90 A100	R90-D102 PolarHBondContact O-N 3.13Å; A100-D102 VanDerWaalsContact C-N 3.27Å; A100-D102 WeakPolarHBondContact CB-OD1 3.49Å; A100-D102 PolarHBondContact O-N 3.12Å
103	Y	88.9	Confident	81	Confident	144 Å²	144	76.5 Å²	76.5	57%	0.565	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.3	-178.4	-66.3	-102.2	0	0	0	111.1	A89 R90 M101	A89-Y103 CarbonylContact C-O 3.37Å; A89-Y103 WeakPolarHBondContact CA-O 3.29Å; A89-Y103 WeakPolarHBondContact CB-O 3.18Å; R90-Y103 HydrophobicContact CG-CD2 4.39Å; R90-Y103 PolarHBondContact N-O 2.81Å; R90-Y103 VanDerWaalsContact NH2-CZ 3.25Å; M101-Y103 PolarHBondContact O-N 3.2Å
104	W	94.3	Very high	81.7	Confident	100 Å²	100	82 Å²	82	38%	0.379	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.2	-177.4	-69	68.5	0	0	0	110.5	V29 L37 Y87 A89 M101	V29-W104 HydrophobicContact CB-CH2 3.99Å; V29-W104 HydrophobicContact CB-CZ3 3.74Å; V29-W104 HydrophobicContact CG1-CH2 3.93Å; V29-W104 HydrophobicContact CG1-CZ3 3.89Å; V29-W104 HydrophobicContact CG2-CH2 3.67Å; V29-W104 HydrophobicContact CG2-CZ3 3.84Å; L37-W104 HydrophobicContact CD1-CH2 3.91Å; L37-W104 HydrophobicContact CD1-CZ3 4.37Å; Y87-W104 HydrophobicContact CD1-CE3 4.45Å; Y87-W104 HydrophobicContact CG-CE3 4.09Å; Y87-W104 HydrophobicContact CG-CZ3 4.32Å; A89-W104 HydrophobicContact CB-CD2 3.73Å; A89-W104 HydrophobicContact CB-CE3 4.12Å; A89-W104 HydrophobicContact CB-CG 4.02Å; A89-W104 HydrophobicContact CB-CZ2 4.26Å; M101-W104 HydrophobicContact CB-CZ2 3.86Å; M101-W104 HydrophobicContact CG-CZ2 4.34Å; M101-W104 PolarHBondContact O-NE1 2.93Å; M101-W104 HydrophobicContact SD-CH2 3.87Å; M101-W104 HydrophobicContact SD-CZ2 3.48Å; M101-W104 WeakPolarHBondContact SD-CZ2 3.45Å
105	G	95	Very high	82.6	Confident	26 Å²	26	77.9 Å²	77.9	27%	0.268	46%	0.464	S	S	.	.			trans	-68	165.7	167	0	0	0	0	0	111.5	Y87 C88 G107	Y87-G105 WeakPolarHBondContact CD1-O 3.39Å; C88-G105 PolarHBondContact O-N 2.79Å; G105-G107 PolarHBondContact O-N 3.04Å; G105-G107 VanDerWaalsContact O-N 3.15Å
106	Q	95	Very high	83.6	Confident	188 Å²	188	78.2 Å²	78.2	88%	0.879	45%	0.45	S	S	*	.			trans	-65.3	-17.1	178.8	-64.7	-61.5	-39.7	0	0	113.6
107	G	95.7	Very high	85.4	Confident	28 Å²	28	75 Å²	75	29%	0.289	42%	0.422	S	S	.	.			trans	85.2	150.2	-177.5	0	0	0	0	0	112.9	Y86 Y87 G105	Y86-G107 CarbonylContact O-C 3.59Å; Y86-G107 VanDerWaalsContact O-CA 3.24Å; Y86-G107 WeakPolarHBondContact O-CA 3.23Å; Y87-G107 VanDerWaalsContact CD1-CA 3.41Å; G105-G107 PolarHBondContact O-N 3.04Å; G105-G107 VanDerWaalsContact O-N 3.15Å
108	T	97	Very high	87.3	Confident	51 Å²	51	75.1 Å²	75.1	31%	0.313	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.6	176.3	-63	0	0	0	0	109.2	L12 Y86 V110	L12-T108 HydrophobicContact CD2-CG2 3.98Å; Y86-T108 PolarHBondContact N-O 2.8Å; Y86-T108 PolarHBondContact O-N 2.83Å; T108-V110 PolarHBondContact O-N 2.6Å
109	S	96.9	Very high	89.2	Confident	46 Å²	46	68.1 Å²	68.1	32%	0.322	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.9	172	-172	0	0	0	0	110.1	A1 E2	A1-S109 CarbonylContact C-O 3.58Å; A1-S109 WeakPolarHBondContact CA-O 3.35Å; E2-S109 PolarHBondContact N-O 3.36Å
110	V	96.9	Very high	91	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.5	166.9	178	0	0	0	0	107.5	E2 V4 V10 L12 T83 A84 Y86 T108 V112	E2-V110 HydrophobicContact CB-CG2 4.4Å; E2-V110 CarbonylContact O-C 3.52Å; E2-V110 WeakPolarHBondContact O-CA 3.3Å; V4-V110 HydrophobicContact CG2-CG1 4.16Å; V10-V110 HydrophobicContact CG2-CG2 4.48Å; L12-V110 HydrophobicContact CD1-CG2 4.2Å; L12-V110 HydrophobicContact CD2-CG2 3.94Å; T83-V110 VanDerWaalsContact CA-O 3.28Å; T83-V110 WeakPolarHBondContact CA-O 3.39Å; A84-V110 PolarHBondContact N-O 3.45Å; A84-V110 PolarHBondContact O-N 2.93Å; Y86-V110 HydrophobicContact CD2-CB 3.96Å; Y86-V110 HydrophobicContact CD2-CG2 3.74Å; Y86-V110 HydrophobicContact CE2-CB 3.76Å; Y86-V110 HydrophobicContact CE2-CG2 3.98Å; T108-V110 PolarHBondContact O-N 2.6Å; V110-V112 HydrophobicContact CG1-CG2 4.48Å
111	T	96.8	Very high	92.6	Very high	51 Å²	51	72.1 Å²	72.1	31%	0.313	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.3	179.9	-58	0	0	0	0	109.1	E2 L3 V4 T83	E2-T111 PolarHBondContact O-N 2.94Å; L3-T111 WeakPolarHBondContact CA-O 3.38Å; L3-T111 HydrophobicContact CD1-CG2 3.81Å; V4-T111 PolarHBondContact N-O 3.35Å; T83-T111 HydrophobicContact CG2-CG2 4.3Å
112	V	95.8	Very high	93.2	Very high	8 Å²	8	73.4 Å²	73.4	5%	0.048	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106.1	179.4	-169.5	0	0	0	0	108.9	V4 P6 L78 T79 D82 T83 V110	V4-V112 HydrophobicContact CG2-CB 4.4Å; V4-V112 HydrophobicContact CG2-CG1 4.47Å; V4-V112 HydrophobicContact CG2-CG2 3.84Å; V4-V112 WeakPolarHBondContact O-CA 3.21Å; P6-V112 HydrophobicContact CB-CG1 4.42Å; P6-V112 HydrophobicContact CG-CG1 4.17Å; L78-V112 HydrophobicContact CB-CG1 4.24Å; L78-V112 HydrophobicContact CB-CG2 3.98Å; L78-V112 HydrophobicContact CD1-CG2 4.29Å; T79-V112 WeakPolarHBondContact O-CB 3.34Å; T79-V112 WeakPolarHBondContact O-CG2 3.01Å; D82-V112 HydrophobicContact CB-CG2 4.14Å; T83-V112 PolarHBondContact OG1-N 3.41Å; V110-V112 HydrophobicContact CG1-CG2 4.48Å
113	S	93	Very high	94.1	Very high	54 Å²	54	70.9 Å²	70.9	38%	0.378	40%	0.403	S	S	.	.			trans	-142.2	150.1	-179.4	66.6	0	0	0	0	111.9	L3 V4	L3-S113 WeakPolarHBondContact CD1-OG 3.35Å; V4-S113 PolarHBondContact O-N 2.62Å
114	S	83.9	Confident	94.6	Very high	155 Å²	155	64.3 Å²	64.3	100%	1.084	39%	0.388	S	S	*	.			trans	-75.9	0	175.4	58	0	0	0	0	112.6

Retrieved 114 of 114 residues in 24 ms (Link to these results)

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