X5J519_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J519, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J519_MOUSE|X5J519
AELVRPGALVKLSCKASGFNIKDHYMHWVKQRPEQGLEWIGWIDPENGNTIYDPKFQGKASITADTSSNTAYLQLSSLTSEDTAVYYCARDSSYGYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

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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	76.8	Confident	92.6	Very high	116 Å²	116	83.3 Å²	83.3	96%	0.959	47%	0.471	S	S	*	.				0	138.9	0	0	0	0	0	0	108.2	T102	A1-T102 CarbonylContact C-O 3.58Å; A1-T102 WeakPolarHBondContact CA-O 3.5Å
2	E	86.4	Confident	93	Very high	75 Å²	75	76.8 Å²	76.8	35%	0.35	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.4	-177.3	-166.8	179.8	167.7	0	0	109.1	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.74Å; E2-V10 VanDerWaalsContact OE2-CG1 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG1 3.42Å; E2-T102 PolarHBondContact N-O 2.91Å; E2-L103 HydrophobicContact CB-CD1 3.95Å; E2-L103 HydrophobicContact CG-CD1 4.28Å; E2-T104 PolarHBondContact O-N 3.48Å
3	L	92.8	Very high	93.3	Very high	129 Å²	129	76.8 Å²	76.8	68%	0.675	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.9	176.2	177	65.7	0	0	0	108.6	T104	L3-T104 CarbonylContact C-O 3.58Å; L3-T104 WeakPolarHBondContact CA-O 3.46Å; L3-T104 HydrophobicContact CD1-CG2 3.79Å
4	V	94.6	Very high	93.5	Very high	17 Å²	17	72.4 Å²	72.4	10%	0.103	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.7	-173.8	-55.2	0	0	0	0	112	E2 A8 V10 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.74Å; V4-A8 HydrophobicContact CB-CB 4.21Å; V4-V10 HydrophobicContact CB-CG2 4.26Å; V4-V10 HydrophobicContact CG1-CG2 3.66Å; V4-V10 HydrophobicContact CG2-CG2 4.2Å; V4-L78 HydrophobicContact CG2-CD1 3.66Å; V4-L103 HydrophobicContact CG1-CD1 4.02Å; V4-L103 HydrophobicContact CG2-CD1 3.88Å; V4-T104 PolarHBondContact N-O 2.92Å; V4-V105 HydrophobicContact CG2-CB 4.39Å; V4-V105 HydrophobicContact CG2-CG1 4.46Å; V4-V105 HydrophobicContact CG2-CG2 3.86Å; V4-V105 CarbonylContact O-C 3.58Å; V4-V105 WeakPolarHBondContact O-CA 3.2Å; V4-S106 PolarHBondContact O-N 3.34Å; V4-S106 PolarHBondContact O-OG 2.62Å
5	R	94.1	Very high	93.7	Very high	204 Å²	204	78.3 Å²	78.3	77%	0.77	44%	0.437	S	S	*	.			trans	-87.3	156.9	177.6	-63	-179.1	-177.4	174.8	0.8	111.1	A8	R5-A8 WeakPolarHBondContact O-CB 3.39Å; R5-A8 PolarHBondContact O-N 3.12Å
6	P	95.4	Very high	93.6	Very high	69 Å²	69	73.9 Å²	73.9	45%	0.448	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	145.2	169.4	-25.3	36.1	0	0	0	111.7	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.17Å; P6-L78 CarbonylContact C-O 3.52Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; P6-V105 HydrophobicContact CG-CG1 4.27Å; P6-S106 WeakPolarHBondContact CD-O 3.2Å; P6-S106 WeakPolarHBondContact CG-O 3.08Å
7	G	94.2	Very high	93.5	Very high	55 Å²	55	75.9 Å²	75.9	57%	0.567	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-3.6	-177	0	0	0	0	0	114.6	L78	G7-L78 PolarHBondContact N-O 3.32Å
8	A	94.8	Very high	93.4	Very high	29 Å²	29	76.6 Å²	76.6	24%	0.24	46%	0.459	C	S	.	.			trans	-65.5	157.9	179	0	0	0	0	0	112.4	V4 R5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.21Å; R5-A8 WeakPolarHBondContact O-CB 3.39Å; R5-A8 PolarHBondContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.17Å; A8-S77 PolarHBondContact O-N 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 3.25Å
9	L	96.1	Very high	93.2	Very high	107 Å²	107	75 Å²	75	56%	0.56	45%	0.446	S	S	*	.			trans	-111	123.8	171.3	-179.1	153.6	0	0	0	107.9	Q74 L75	L9-Q74 HydrophobicContact CD2-CG 4Å; L9-Q74 HydrophobicContact CG-CG 4.18Å; L9-L75 VanDerWaalsContact CA-O 3.32Å; L9-L75 WeakPolarHBondContact CA-O 3.32Å
10	V	96.2	Very high	93.2	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.018	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.7	-176.3	170.7	0	0	0	0	109.4	E2 V4 L12 Q74 L75 L78 L103	E2-V10 VanDerWaalsContact OE2-CG1 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG1 3.42Å; V4-V10 HydrophobicContact CB-CG2 4.26Å; V4-V10 HydrophobicContact CG1-CG2 3.66Å; V4-V10 HydrophobicContact CG2-CG2 4.2Å; V10-L12 HydrophobicContact CG1-CD2 3.76Å; V10-L12 HydrophobicContact CG1-CG 4.17Å; V10-Q74 CarbonylContact O-C 3.43Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.47Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.83Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG2-CD1 3.44Å; V10-L78 VanDerWaalsContact CG2-CD1 3.44Å; V10-L103 HydrophobicContact CG1-CD1 4.17Å; V10-L103 HydrophobicContact CG2-CD1 4.21Å
11	K	97.2	Very high	93.3	Very high	112 Å²	112	71.2 Å²	71.2	49%	0.487	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	106.4	175.2	-174.7	175.9	178.2	176.8	0	109.8	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.31Å
12	L	97.4	Very high	94.2	Very high	6 Å²	6	69.9 Å²	69.9	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	148.3	172.7	-55.3	-178.6	0	0	0	109.8	V10 W28 Y72 L73 Y86 T101	V10-L12 HydrophobicContact CG1-CD2 3.76Å; V10-L12 HydrophobicContact CG1-CG 4.17Å; L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.1Å; L12-Y72 WeakPolarHBondContact O-CA 3.3Å; L12-L73 HydrophobicContact CB-CB 4.45Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 3.17Å; L12-L73 PolarHBondContact O-N 2.8Å; L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.68Å; L12-T101 HydrophobicContact CD2-CG2 3.99Å
13	S	97.1	Very high	94.5	Very high	76 Å²	76	71.6 Å²	71.6	53%	0.531	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.6	178	64.5	0	0	0	0	111.2	A71	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å
14	C	96.1	Very high	94.4	Very high	16 Å²	16	67.8 Å²	67.8	11%	0.108	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	103.6	175.7	175.6	0	0	0	0	108.8	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 3.86Å; C14-T70 CarbonylContact O-C 3.38Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; C14-A71 PolarHBondContact N-O 2.83Å; C14-A71 PolarHBondContact O-N 2.79Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.18Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.79Å
15	K	96.3	Very high	94.4	Very high	161 Å²	161	72 Å²	72	70%	0.7	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	120.2	179.2	-173.8	171.8	-176.2	176.8	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.5Å
16	A	92.9	Very high	94.5	Very high	8 Å²	8	62.5 Å²	62.5	7%	0.066	36%	0.363	C	S	.	.			trans	-72	139.8	174.1	0	0	0	0	0	110.5	F19 I21 N69	A16-F19 HydrophobicContact CB-CD1 4.43Å; A16-F19 HydrophobicContact CB-CD2 4.17Å; A16-F19 HydrophobicContact CB-CE1 3.8Å; A16-F19 HydrophobicContact CB-CE2 3.52Å; A16-F19 HydrophobicContact CB-CZ 3.3Å; A16-I21 HydrophobicContact CB-CB 4.11Å; A16-I21 HydrophobicContact CB-CD1 4.09Å; A16-I21 HydrophobicContact CB-CG1 4.19Å; A16-N69 VanDerWaalsContact CB-ND2 3.32Å; A16-N69 WeakPolarHBondContact CB-ND2 3.13Å; A16-N69 PolarHBondContact N-O 2.87Å; A16-N69 PolarHBondContact O-ND2 2.86Å
17	S	91.9	Very high	94.5	Very high	107 Å²	107	59.8 Å²	59.8	75%	0.748	35%	0.345	S	S	*	.			trans	-135.2	137.1	178.2	-174.3	0	0	0	0	109.4	F19	S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 VanDerWaalsContact O-CD1 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.01Å; S17-F19 PolarHBondContact O-N 3.05Å
18	G	90.9	Very high	94.7	Very high	88 Å²	88	57.4 Å²	57.4	91%	0.907	32%	0.319	S	S	*	.	S	Bend	trans	78.7	4.1	-179	0	0	0	0	0	115.4
19	F	89.9	Confident	94.7	Very high	47 Å²	47	56.2 Å²	56.2	21%	0.206	31%	0.309	C	S	.	.	S	Bend	trans	-153.6	160.9	173.6	65.7	-86.4	0	0	0	110.9	A16 S17 H24 M26 N69 R90	A16-F19 HydrophobicContact CB-CD1 4.43Å; A16-F19 HydrophobicContact CB-CD2 4.17Å; A16-F19 HydrophobicContact CB-CE1 3.8Å; A16-F19 HydrophobicContact CB-CE2 3.52Å; A16-F19 HydrophobicContact CB-CZ 3.3Å; S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 VanDerWaalsContact O-CD1 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.01Å; S17-F19 PolarHBondContact O-N 3.05Å; F19-H24 AromaticContact CD2-CD2 3.49Å; F19-H24 VanDerWaalsContact CD2-CD2 3.49Å; F19-H24 WeakPolarHBondContact CD2-CD2 3.46Å; F19-M26 HydrophobicContact CE2-SD 4.21Å; F19-M26 HydrophobicContact CZ-SD 4.29Å; F19-N69 PolarHBondContact O-ND2 2.9Å; F19-R90 HydrophobicContact CE2-CG 4.34Å; F19-R90 HydrophobicContact CZ-CB 4.46Å; F19-R90 HydrophobicContact CZ-CG 4.28Å
20	N	93.7	Very high	94.7	Very high	71 Å²	71	51.2 Å²	51.2	38%	0.38	28%	0.282	S	S	.	.			trans	-85.1	123.1	171.1	173.3	12.2	0	0	0	109.3	K22 D23	N20-K22 PolarHBondContact O-N 3.06Å; N20-K22 PolarHBondContact OD1-N 3.39Å; N20-K22 VanDerWaalsContact OD1-N 3.16Å; N20-D23 WeakPolarHBondContact CB-OD2 3.26Å; N20-D23 PolarHBondContact O-N 3.1Å; N20-D23 VanDerWaalsContact O-N 3.13Å
21	I	94.5	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-63	-24.4	-174.4	-158.4	165.5	0	0	0	112.5	A16 D23 H24 M26 P45 T66 N69 A71	A16-I21 HydrophobicContact CB-CB 4.11Å; A16-I21 HydrophobicContact CB-CD1 4.09Å; A16-I21 HydrophobicContact CB-CG1 4.19Å; I21-D23 PolarHBondContact O-N 3Å; I21-H24 PolarHBondContact O-N 2.85Å; I21-M26 HydrophobicContact CD1-CG 3.99Å; I21-M26 HydrophobicContact CD1-SD 4.37Å; I21-M26 HydrophobicContact CG1-CG 3.68Å; I21-M26 HydrophobicContact CG1-SD 3.96Å; I21-P45 HydrophobicContact CG1-CB 4.36Å; I21-P45 HydrophobicContact CG1-CG 3.98Å; I21-P45 HydrophobicContact CG2-CB 4.22Å; I21-P45 WeakPolarHBondContact O-CB 3.4Å; I21-P45 VanDerWaalsContact O-CG 3.23Å; I21-P45 WeakPolarHBondContact O-CG 3.42Å; I21-T66 HydrophobicContact CG2-CG2 4.25Å; I21-N69 WeakPolarHBondContact CB-OD1 3.32Å; I21-N69 VanDerWaalsContact CG2-OD1 3.28Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.43Å; I21-N69 PolarHBondContact N-OD1 2.89Å; I21-A71 HydrophobicContact CD1-CB 3.97Å
22	K	94.8	Very high	94.4	Very high	88 Å²	88	51.8 Å²	51.8	38%	0.383	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.5	176.5	-69.7	-171.2	178.2	-169.5	0	113.4	N20 H24 T66	N20-K22 PolarHBondContact O-N 3.06Å; N20-K22 PolarHBondContact OD1-N 3.39Å; N20-K22 VanDerWaalsContact OD1-N 3.16Å; K22-H24 PolarHBondContact O-N 2.86Å; K22-T66 HydrophobicContact CD-CG2 4.12Å; K22-T66 WeakPolarHBondContact CE-OG1 3.39Å; K22-T66 HydrophobicContact CG-CG2 3.47Å; K22-T66 VanDerWaalsContact CG-CG2 3.47Å
23	D	92.8	Very high	93.5	Very high	111 Å²	111	57.5 Å²	57.5	59%	0.594	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-87	3.5	-171.3	-52.9	-30	0	0	0	112.4	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.26Å; N20-D23 PolarHBondContact O-N 3.1Å; N20-D23 VanDerWaalsContact O-N 3.13Å; I21-D23 PolarHBondContact O-N 3Å
24	H	92.1	Very high	92.8	Very high	49 Å²	49	63.1 Å²	63.1	23%	0.227	34%	0.34	C	S	.	.	S	Bend	trans	-146.8	144.1	-173.2	-61.8	-77.7	0	0	0	113.9	F19 I21 K22 M26 P45 R90	F19-H24 AromaticContact CD2-CD2 3.49Å; F19-H24 VanDerWaalsContact CD2-CD2 3.49Å; F19-H24 WeakPolarHBondContact CD2-CD2 3.46Å; I21-H24 PolarHBondContact O-N 2.85Å; K22-H24 PolarHBondContact O-N 2.86Å; H24-M26 PolarHBondContact O-N 3.32Å; H24-P45 WeakPolarHBondContact O-CD 3.31Å; H24-R90 HydrophobicContact CB-CG 3.65Å; H24-R90 PolarHBondContact NE2-NH1 2.95Å
25	Y	94.5	Very high	91.8	Very high	105 Å²	105	67.3 Å²	67.3	41%	0.412	36%	0.358	S	S	.	.			trans	-67.8	132.1	165.7	-55.2	-52.3	0	0	0	111	W42 I43 D44 D91	Y25-W42 HydrophobicContact CD1-CD2 4.44Å; Y25-W42 AromaticContact CD1-CE3 3.59Å; Y25-W42 HydrophobicContact CD1-CE3 3.59Å; Y25-W42 HydrophobicContact CD1-CH2 4.33Å; Y25-W42 AromaticContact CD1-CZ3 3.6Å; Y25-W42 HydrophobicContact CD1-CZ3 3.6Å; Y25-W42 HydrophobicContact CE1-CE3 4.24Å; Y25-W42 HydrophobicContact CE1-CH2 4.17Å; Y25-W42 AromaticContact CE1-CZ3 3.78Å; Y25-W42 HydrophobicContact CE1-CZ3 3.78Å; Y25-W42 HydrophobicContact CG-CE3 4.06Å; Y25-W42 HydrophobicContact CG-CZ3 4.42Å; Y25-I43 WeakPolarHBondContact CA-O 3.35Å; Y25-D44 HydrophobicContact CD1-CB 3.75Å; Y25-D44 HydrophobicContact CE1-CB 3.64Å; Y25-D91 PolarHBondContact O-N 3.06Å
26	M	95.4	Very high	91.4	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.02	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.2	177.4	-63.3	-57.3	-56.3	0	0	109.3	F19 I21 H24 W42 I43 P45 A71 R90	F19-M26 HydrophobicContact CE2-SD 4.21Å; F19-M26 HydrophobicContact CZ-SD 4.29Å; I21-M26 HydrophobicContact CD1-CG 3.99Å; I21-M26 HydrophobicContact CD1-SD 4.37Å; I21-M26 HydrophobicContact CG1-CG 3.68Å; I21-M26 HydrophobicContact CG1-SD 3.96Å; H24-M26 PolarHBondContact O-N 3.32Å; M26-W42 CarbonylContact O-C 3.53Å; M26-W42 WeakPolarHBondContact O-CA 3.32Å; M26-I43 HydrophobicContact CB-CG2 3.92Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.84Å; M26-P45 HydrophobicContact CG-CG 3.91Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 4.21Å; M26-R90 HydrophobicContact SD-CB 4.49Å
27	H	96.2	Very high	91.3	Very high	13 Å²	13	66.7 Å²	66.7	6%	0.06	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.5	-179.3	-63.9	-106.5	0	0	0	110.5	W39 G41 C88 A89	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.88Å; H27-W39 AromaticContact ND1-NE1 3.17Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-W39 VanDerWaalsContact ND1-NE1 3.17Å; H27-G41 WeakPolarHBondContact CA-O 3.38Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.16Å; H27-A89 PolarHBondContact O-N 2.88Å
28	W	97.1	Very high	91.5	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.019	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137	170.9	-73.6	93.9	0	0	0	110.8	L12 C14 I40 G41 A71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.1Å; C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 3.86Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.79Å; W28-A71 HydrophobicContact CZ2-CB 4.47Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 3.45Å; W28-L73 VanDerWaalsContact CD2-CB 3.45Å; W28-L73 HydrophobicContact CD2-CD2 3.94Å; W28-L73 HydrophobicContact CD2-CG 4.25Å; W28-L73 VanDerWaalsContact CE2-CB 3.5Å; W28-L73 HydrophobicContact CE3-CB 3.66Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.3Å; W28-L73 HydrophobicContact CG-CB 3.98Å; W28-L73 HydrophobicContact CG-CD2 4.19Å; W28-L73 HydrophobicContact CG-CG 4.47Å; W28-L73 HydrophobicContact CH2-CB 3.93Å; W28-L73 HydrophobicContact CZ2-CB 3.76Å; W28-L73 HydrophobicContact CZ3-CB 3.89Å; W28-L73 HydrophobicContact CZ3-CD2 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	95.9	Very high	91.7	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.9	-174.5	-176.6	0	0	0	0	109.4	L37 E38 Y86 Y87 W97	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.39Å; V29-E38 WeakPolarHBondContact CG1-O 3.24Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-Y87 PolarHBondContact N-O 2.89Å; V29-Y87 PolarHBondContact O-N 3.34Å; V29-W97 HydrophobicContact CB-CH2 4.13Å; V29-W97 HydrophobicContact CB-CZ3 3.8Å; V29-W97 HydrophobicContact CG1-CH2 4.05Å; V29-W97 HydrophobicContact CG1-CZ3 3.98Å; V29-W97 HydrophobicContact CG2-CH2 3.8Å; V29-W97 HydrophobicContact CG2-CZ3 3.86Å
30	K	95.9	Very high	92	Very high	1 Å²	1	60 Å²	60	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.3	172.4	-178.9	-177.5	-179.2	-176.8	0	108.8	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; K30-F56 HydrophobicContact CB-CZ 4.44Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.08Å; K30-E81 PolarHBondContact NZ-O 3.2Å; K30-D82 IonicContact NZ-OD1 3.5Å; K30-D82 PolarHBondContact NZ-OD1 3Å; K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.24Å; K30-Y86 HydrophobicContact CB-CE1 3.97Å; K30-Y86 HydrophobicContact CD-CE1 4.14Å; K30-Y86 HydrophobicContact CG-CD1 4.46Å; K30-Y86 HydrophobicContact CG-CE1 3.9Å
31	Q	95.3	Very high	92.2	Very high	74 Å²	74	56.6 Å²	56.6	35%	0.346	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.6	171	-171	-177.6	31.7	0	0	109.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 3.82Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 2.99Å; Q31-V85 PolarHBondContact O-N 3.12Å; Q31-Y87 HydrophobicContact CB-CD2 4.24Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.03Å
32	R	91.2	Very high	92.3	Very high	54 Å²	54	58.2 Å²	58.2	20%	0.204	29%	0.292	C	S	.	.			trans	-94.4	151.8	171.9	-63.1	-176.4	-148.7	-168.6	-6.7	109.4	K30 E34 Q35 E38 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; R32-E34 PolarHBondContact O-N 2.91Å; R32-E34 VanDerWaalsContact O-N 3.12Å; R32-Q35 CarbonylContact C-O 3.48Å; R32-Q35 HydrophobicContact CB-CB 3.81Å; R32-Q35 HydrophobicContact CG-CB 4.41Å; R32-Q35 PolarHBondContact N-O 3.11Å; R32-Q35 PolarHBondContact O-N 2.75Å; R32-E38 IonicContact CZ-OE2 3.62Å; R32-E38 IonicContact NE-OE2 4Å; R32-E38 PolarHBondContact NE-OE2 3.24Å; R32-E38 IonicContact NH2-OE1 3.12Å; R32-E38 IonicContact NH2-OE2 2.79Å; R32-E38 PolarHBondContact NH2-OE2 3.5Å; R32-A84 HydrophobicContact CG-CB 4.17Å
33	P	79.6	Confident	92.4	Very high	126 Å²	126	54.3 Å²	54.3	82%	0.818	28%	0.276	S	S	*	.	S	Bend	trans	-57	-28	178.9	-26.8	35.6	0	0	0	114.2
34	E	82.1	Confident	92.6	Very high	194 Å²	194	49.6 Å²	49.6	91%	0.907	25%	0.251	S	S	*	.	S	Bend	trans	-120.3	-5.7	-175.8	-58.5	-172.4	174.7	0	0	114.2	R32	R32-E34 PolarHBondContact O-N 2.91Å; R32-E34 VanDerWaalsContact O-N 3.12Å
35	Q	74.6	Confident	92.8	Very high	104 Å²	104	47.8 Å²	47.8	49%	0.486	24%	0.243	S	C	.	.	S	Bend	trans	-124.7	131	179.4	-92.6	167.5	-6.5	0	0	106.9	R32	R32-Q35 CarbonylContact C-O 3.48Å; R32-Q35 HydrophobicContact CB-CB 3.81Å; R32-Q35 HydrophobicContact CG-CB 4.41Å; R32-Q35 PolarHBondContact N-O 3.11Å; R32-Q35 PolarHBondContact O-N 2.75Å
36	G	87.3	Confident	92.9	Very high	56 Å²	56	49.6 Å²	49.6	58%	0.577	26%	0.255	S	S	*	.			trans	-58.9	-165.7	-174.4	0	0	0	0	0	114.5	E38	G36-E38 PolarHBondContact O-N 2.79Å
37	L	92.7	Very high	92.9	Very high	99 Å²	99	54.1 Å²	54.1	52%	0.518	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.8	-179.9	-61.6	174.4	0	0	0	110.7	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 3.82Å; L37-W97 HydrophobicContact CD1-CH2 3.9Å; L37-W97 HydrophobicContact CD1-CZ2 4.4Å
38	E	94.8	Very high	92.9	Very high	32 Å²	32	55.6 Å²	55.6	15%	0.15	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.4	171.4	-61.7	-173	102	0	0	108.9	V29 K30 R32 G36 K55 F56	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.39Å; V29-E38 WeakPolarHBondContact CG1-O 3.24Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE2 3.62Å; R32-E38 IonicContact NE-OE2 4Å; R32-E38 PolarHBondContact NE-OE2 3.24Å; R32-E38 IonicContact NH2-OE1 3.12Å; R32-E38 IonicContact NH2-OE2 2.79Å; R32-E38 PolarHBondContact NH2-OE2 3.5Å; G36-E38 PolarHBondContact O-N 2.79Å; E38-K55 IonicContact OE1-NZ 2.8Å; E38-F56 HydrophobicContact CB-CE2 4.26Å; E38-F56 HydrophobicContact CB-CZ 4.13Å
39	W	95.3	Very high	92.9	Very high	69 Å²	69	59.5 Å²	59.5	26%	0.261	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.5	175.8	-177.8	74.4	0	0	0	110.6	H27 G41 W42 I51 D53	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.88Å; H27-W39 AromaticContact ND1-NE1 3.17Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-W39 VanDerWaalsContact ND1-NE1 3.17Å; W39-G41 PolarHBondContact NE1-O 3.47Å; W39-W42 AromaticContact CH2-CD1 3.58Å; W39-W42 HydrophobicContact CZ2-CB 4.35Å; W39-W42 AromaticContact CZ2-CD1 3.24Å; W39-W42 HydrophobicContact CZ2-CG 4.14Å; W39-I51 HydrophobicContact CH2-CG2 4Å; W39-D53 HydrophobicContact CE3-CB 3.95Å; W39-D53 HydrophobicContact CZ3-CB 4.3Å; W39-D53 VanDerWaalsContact O-CB 3.29Å; W39-D53 WeakPolarHBondContact O-CB 3.27Å
40	I	97.1	Very high	93	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-43	-178.2	-60.9	175	0	0	0	110.3	W28 K30 Y52 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; I40-Y52 WeakPolarHBondContact O-CA 3.23Å; I40-D53 PolarHBondContact O-N 3.06Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.05Å; I40-F56 HydrophobicContact CG2-CB 3.89Å; I40-F56 HydrophobicContact CG2-CD1 4.28Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.94Å; I40-A60 HydrophobicContact CG2-CB 3.67Å; I40-L73 HydrophobicContact CD1-CD2 3.66Å; I40-L73 HydrophobicContact CG2-CD1 4.19Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.83Å
41	G	96.8	Very high	93	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.2	-173.5	-172.8	0	0	0	0	0	112.7	H27 W28 W39 I51	H27-G41 WeakPolarHBondContact CA-O 3.38Å; W28-G41 PolarHBondContact N-O 2.79Å; W39-G41 PolarHBondContact NE1-O 3.47Å; G41-I51 CarbonylContact C-O 3.59Å; G41-I51 WeakPolarHBondContact CA-O 3.06Å
42	W	96.5	Very high	93.1	Very high	34 Å²	34	64.2 Å²	64.2	13%	0.129	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.1	175.2	63.3	-74.3	0	0	0	112.5	Y25 M26 W39 D44 T50 I51	Y25-W42 HydrophobicContact CD1-CD2 4.44Å; Y25-W42 AromaticContact CD1-CE3 3.59Å; Y25-W42 HydrophobicContact CD1-CE3 3.59Å; Y25-W42 HydrophobicContact CD1-CH2 4.33Å; Y25-W42 AromaticContact CD1-CZ3 3.6Å; Y25-W42 HydrophobicContact CD1-CZ3 3.6Å; Y25-W42 HydrophobicContact CE1-CE3 4.24Å; Y25-W42 HydrophobicContact CE1-CH2 4.17Å; Y25-W42 AromaticContact CE1-CZ3 3.78Å; Y25-W42 HydrophobicContact CE1-CZ3 3.78Å; Y25-W42 HydrophobicContact CG-CE3 4.06Å; Y25-W42 HydrophobicContact CG-CZ3 4.42Å; M26-W42 CarbonylContact O-C 3.53Å; M26-W42 WeakPolarHBondContact O-CA 3.32Å; W39-W42 AromaticContact CH2-CD1 3.58Å; W39-W42 HydrophobicContact CZ2-CB 4.35Å; W39-W42 AromaticContact CZ2-CD1 3.24Å; W39-W42 HydrophobicContact CZ2-CG 4.14Å; W42-D44 HydrophobicContact CE3-CB 4.41Å; W42-D44 HydrophobicContact CZ3-CB 3.72Å; W42-T50 VanDerWaalsContact O-CA 3.28Å; W42-T50 WeakPolarHBondContact O-CA 3.25Å; W42-I51 HydrophobicContact CH2-CD1 4.32Å; W42-I51 HydrophobicContact CH2-CG1 4.28Å; W42-I51 HydrophobicContact CZ2-CB 4.23Å; W42-I51 HydrophobicContact CZ2-CD1 3.36Å; W42-I51 HydrophobicContact CZ2-CG1 3.58Å; W42-I51 PolarHBondContact N-O 3.1Å; W42-I51 PolarHBondContact O-N 2.81Å; W42-I51 VanDerWaalsContact O-N 3.12Å
43	I	97.3	Very high	93.4	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.5	168.6	-175	163.7	0	0	0	110.7	Y25 M26 P45 N49 T50 I62 A64	Y25-I43 WeakPolarHBondContact CA-O 3.35Å; M26-I43 HydrophobicContact CB-CG2 3.92Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.84Å; I43-P45 HydrophobicContact CG2-CG 4.43Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; I43-N49 CarbonylContact C-O 3.56Å; I43-N49 VanDerWaalsContact CA-O 3.31Å; I43-N49 WeakPolarHBondContact CA-O 3.42Å; I43-T50 HydrophobicContact CB-CG2 3.85Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-I62 HydrophobicContact CB-CG2 3.61Å; I43-I62 HydrophobicContact CG2-CG2 3.48Å; I43-I62 VanDerWaalsContact CG2-CG2 3.48Å; I43-A64 HydrophobicContact CD1-CB 3.94Å; I43-A64 HydrophobicContact CG2-CB 4.38Å
44	D	96.9	Very high	94.2	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.07	34%	0.338	C	S	.	.			trans	-87.3	106.5	160.8	-177	-15.8	0	0	0	108.1	Y25 W42 E46 N47 G48 N49	Y25-D44 HydrophobicContact CD1-CB 3.75Å; Y25-D44 HydrophobicContact CE1-CB 3.64Å; W42-D44 HydrophobicContact CE3-CB 4.41Å; W42-D44 HydrophobicContact CZ3-CB 3.72Å; D44-E46 PolarHBondContact O-N 2.83Å; D44-E46 WeakPolarHBondContact OD1-CB 3.43Å; D44-E46 PolarHBondContact OD1-N 2.84Å; D44-N47 WeakPolarHBondContact CB-OD1 3.38Å; D44-N47 PolarHBondContact OD2-ND2 2.8Å; D44-N47 PolarHBondContact OD2-OD1 3.3Å; D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 2.89Å; D44-N49 HydrophobicContact CB-CB 4.3Å; D44-N49 PolarHBondContact N-O 3.08Å
45	P	96.6	Very high	94.8	Very high	10 Å²	10	60.5 Å²	60.5	7%	0.065	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.1	-177.8	-20.5	37.8	0	0	0	113.2	I21 H24 M26 I43 A64 T66	I21-P45 HydrophobicContact CG1-CB 4.36Å; I21-P45 HydrophobicContact CG1-CG 3.98Å; I21-P45 HydrophobicContact CG2-CB 4.22Å; I21-P45 WeakPolarHBondContact O-CB 3.4Å; I21-P45 VanDerWaalsContact O-CG 3.23Å; I21-P45 WeakPolarHBondContact O-CG 3.42Å; H24-P45 WeakPolarHBondContact O-CD 3.31Å; M26-P45 HydrophobicContact CG-CG 3.91Å; I43-P45 HydrophobicContact CG2-CG 4.43Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-A64 HydrophobicContact CB-CB 3.8Å; P45-A64 HydrophobicContact CG-CB 4.14Å; P45-T66 HydrophobicContact CB-CG2 4.1Å; P45-T66 WeakPolarHBondContact O-CG2 3Å
46	E	95.9	Very high	95.7	Very high	143 Å²	143	56 Å²	56	67%	0.668	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-47.2	177.1	-172.4	-179.9	-156.7	0	0	111.5	D44	D44-E46 PolarHBondContact O-N 2.83Å; D44-E46 WeakPolarHBondContact OD1-CB 3.43Å; D44-E46 PolarHBondContact OD1-N 2.84Å
47	N	96.3	Very high	96.1	Very high	100 Å²	100	60 Å²	60	54%	0.535	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-4.4	-172.9	59.4	42	0	0	0	114.1	D44 N49	D44-N47 WeakPolarHBondContact CB-OD1 3.38Å; D44-N47 PolarHBondContact OD2-ND2 2.8Å; D44-N47 PolarHBondContact OD2-OD1 3.3Å; N47-N49 VanDerWaalsContact C-N 3.31Å; N47-N49 PolarHBondContact O-N 2.96Å; N47-N49 WeakPolarHBondContact OD1-CB 3.33Å; N47-N49 PolarHBondContact OD1-N 3Å
48	G	96	Very high	96	Very high	44 Å²	44	58.8 Å²	58.8	45%	0.454	32%	0.32	S	S	.	.			trans	78.1	8.4	179	0	0	0	0	0	114.8	D44	D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 2.89Å
49	N	96.9	Very high	96.1	Very high	87 Å²	87	59.5 Å²	59.5	47%	0.465	32%	0.322	S	S	.	.			trans	-64.8	141.1	178.1	-171.8	19.7	0	0	0	110.9	I43 D44 N47	I43-N49 CarbonylContact C-O 3.56Å; I43-N49 VanDerWaalsContact CA-O 3.31Å; I43-N49 WeakPolarHBondContact CA-O 3.42Å; D44-N49 HydrophobicContact CB-CB 4.3Å; D44-N49 PolarHBondContact N-O 3.08Å; N47-N49 VanDerWaalsContact C-N 3.31Å; N47-N49 PolarHBondContact O-N 2.96Å; N47-N49 WeakPolarHBondContact OD1-CB 3.33Å; N47-N49 PolarHBondContact OD1-N 3Å
50	T	97.4	Very high	96.2	Very high	44 Å²	44	56.8 Å²	56.8	27%	0.27	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.1	-178.3	52.5	0	0	0	0	111.6	W42 I43 Y52 I62	W42-T50 VanDerWaalsContact O-CA 3.28Å; W42-T50 WeakPolarHBondContact O-CA 3.25Å; I43-T50 HydrophobicContact CB-CG2 3.85Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.09Å; T50-I62 HydrophobicContact CG2-CB 4.42Å
51	I	96.8	Very high	96.2	Very high	79 Å²	79	59.1 Å²	59.1	41%	0.405	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.2	167.2	-61.2	-172.6	0	0	0	107.9	W39 G41 W42	W39-I51 HydrophobicContact CH2-CG2 4Å; G41-I51 CarbonylContact C-O 3.59Å; G41-I51 WeakPolarHBondContact CA-O 3.06Å; W42-I51 HydrophobicContact CH2-CD1 4.32Å; W42-I51 HydrophobicContact CH2-CG1 4.28Å; W42-I51 HydrophobicContact CZ2-CB 4.23Å; W42-I51 HydrophobicContact CZ2-CD1 3.36Å; W42-I51 HydrophobicContact CZ2-CG1 3.58Å; W42-I51 PolarHBondContact N-O 3.1Å; W42-I51 PolarHBondContact O-N 2.81Å; W42-I51 VanDerWaalsContact O-N 3.12Å
52	Y	97.9	Very high	96.3	Very high	55 Å²	55	59.4 Å²	59.4	22%	0.216	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.2	178.3	-60.1	-92.2	0	0	0	109.8	I40 T50 A60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.23Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.09Å; Y52-A60 HydrophobicContact CD1-CB 4.35Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.4Å; Y52-I62 HydrophobicContact CD1-CD1 4.18Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.34Å
53	D	96.6	Very high	96.4	Very high	44 Å²	44	60.4 Å²	60.4	24%	0.235	34%	0.342	C	S	.	.			trans	-67.1	135.3	157.6	-177.2	-65.6	0	0	0	108.6	W39 I40 K55 F56 Q57	W39-D53 HydrophobicContact CE3-CB 3.95Å; W39-D53 HydrophobicContact CZ3-CB 4.3Å; W39-D53 VanDerWaalsContact O-CB 3.29Å; W39-D53 WeakPolarHBondContact O-CB 3.27Å; I40-D53 PolarHBondContact O-N 3.06Å; D53-K55 PolarHBondContact O-N 2.81Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.42Å; D53-K55 VanDerWaalsContact OD1-CG 3.27Å; D53-K55 WeakPolarHBondContact OD1-CG 3.29Å; D53-K55 PolarHBondContact OD1-N 2.88Å; D53-F56 HydrophobicContact CB-CD2 4.11Å; D53-F56 PolarHBondContact O-N 2.79Å; D53-Q57 PolarHBondContact O-N 3.21Å
54	P	96.5	Very high	96.4	Very high	100 Å²	100	61.7 Å²	61.7	65%	0.649	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.3	-29	-178.7	-29.2	36	0	0	0	114.6	F56 Q57	P54-F56 PolarHBondContact O-N 3.29Å; P54-Q57 PolarHBondContact O-N 3.17Å
55	K	93.8	Very high	96.4	Very high	152 Å²	152	63.7 Å²	63.7	66%	0.661	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.8	-28.4	177.6	-66.1	174.1	176.6	178.4	0	113.4	E38 D53	E38-K55 IonicContact OE1-NZ 2.8Å; D53-K55 PolarHBondContact O-N 2.81Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.42Å; D53-K55 VanDerWaalsContact OD1-CG 3.27Å; D53-K55 WeakPolarHBondContact OD1-CG 3.29Å; D53-K55 PolarHBondContact OD1-N 2.88Å
56	F	95.4	Very high	96.4	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-104.8	-3.2	-177	-63.1	-83.9	0	0	0	112.7	K30 E38 I40 D53 P54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.44Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.08Å; E38-F56 HydrophobicContact CB-CE2 4.26Å; E38-F56 HydrophobicContact CB-CZ 4.13Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.05Å; I40-F56 HydrophobicContact CG2-CB 3.89Å; I40-F56 HydrophobicContact CG2-CD1 4.28Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.94Å; D53-F56 HydrophobicContact CB-CD2 4.11Å; D53-F56 PolarHBondContact O-N 2.79Å; P54-F56 PolarHBondContact O-N 3.29Å; F56-G58 PolarHBondContact O-N 3.24Å; F56-K59 PolarHBondContact O-N 3.3Å; F56-A60 HydrophobicContact CB-CB 4.1Å; F56-A60 PolarHBondContact O-N 2.59Å
57	Q	93.8	Very high	96.4	Very high	141 Å²	141	63.8 Å²	63.8	66%	0.659	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-61.8	127.7	177.6	-163.7	166	3.7	0	0	110.2	D53 P54 K59	D53-Q57 PolarHBondContact O-N 3.21Å; P54-Q57 PolarHBondContact O-N 3.17Å; Q57-K59 PolarHBondContact O-N 3.29Å
58	G	92.4	Very high	96.5	Very high	73 Å²	73	61 Å²	61	75%	0.753	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-17.5	-174.7	0	0	0	0	0	115.2	F56	F56-G58 PolarHBondContact O-N 3.24Å
59	K	95.5	Very high	96.5	Very high	47 Å²	47	60.3 Å²	60.3	20%	0.204	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-36.8	174.9	-169.4	165.3	-166.3	173.5	0	113	F56 Q57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.3Å; Q57-K59 PolarHBondContact O-N 3.29Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; K59-S76 PolarHBondContact O-N 2.91Å; K59-S76 PolarHBondContact O-OG 2.88Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 VanDerWaalsContact CE-OD1 3.27Å; K59-D82 WeakPolarHBondContact CE-OD1 3.49Å; K59-D82 WeakPolarHBondContact CE-OD2 3.04Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 3.5Å; K59-D82 IonicContact NZ-OD2 2.59Å; K59-D82 PolarHBondContact NZ-OD2 3.45Å
60	A	97.5	Very high	96.6	Very high	11 Å²	11	56.7 Å²	56.7	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.1	178.7	0	0	0	0	0	111.4	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.67Å; Y52-A60 HydrophobicContact CD1-CB 4.35Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.4Å; F56-A60 HydrophobicContact CB-CB 4.1Å; F56-A60 PolarHBondContact O-N 2.59Å; A60-L73 HydrophobicContact CB-CD1 3.82Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.01Å; A60-L75 HydrophobicContact CB-CD2 4.12Å
61	S	98.1	Very high	96.6	Very high	50 Å²	50	54.6 Å²	54.6	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.4	166	177.9	0	0	0	0	108.8	Q74	S61-Q74 PolarHBondContact N-O 2.91Å; S61-Q74 PolarHBondContact O-N 3Å
62	I	98.3	Very high	96.6	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.8	179.8	-57.8	165.9	0	0	0	108.4	I43 T50 Y52 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.61Å; I43-I62 HydrophobicContact CG2-CG2 3.48Å; I43-I62 VanDerWaalsContact CG2-CG2 3.48Å; T50-I62 HydrophobicContact CG2-CB 4.42Å; Y52-I62 HydrophobicContact CD1-CD1 4.18Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.34Å; I62-Y72 WeakPolarHBondContact CA-O 2.98Å; I62-L73 HydrophobicContact CG1-CD1 3.93Å
63	T	98.1	Very high	96.7	Very high	56 Å²	56	50.5 Å²	50.5	34%	0.344	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	165.3	177	56.1	0	0	0	0	110.4	A71 Y72	T63-A71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 3.4Å
64	A	97.8	Very high	96.7	Very high	32 Å²	32	51.4 Å²	51.4	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.1	174.6	0	0	0	0	0	110.5	I43 P45 T70	I43-A64 HydrophobicContact CD1-CB 3.94Å; I43-A64 HydrophobicContact CG2-CB 4.38Å; P45-A64 HydrophobicContact CB-CB 3.8Å; P45-A64 HydrophobicContact CG-CB 4.14Å; A64-T70 WeakPolarHBondContact CA-O 3.25Å
65	D	97.4	Very high	96.8	Very high	55 Å²	55	46.7 Å²	46.7	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.3	169.2	174.5	9.3	0	0	0	108.4	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 3.33Å; D65-S68 WeakPolarHBondContact CB-OG 3.21Å; D65-S68 PolarHBondContact OD1-N 3.02Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 3.21Å; D65-N69 PolarHBondContact O-N 2.84Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	T	96.6	Very high	96.9	Very high	48 Å²	48	41.1 Å²	41.1	29%	0.294	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.3	-176.3	62.4	0	0	0	0	112.7	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.25Å; K22-T66 HydrophobicContact CD-CG2 4.12Å; K22-T66 WeakPolarHBondContact CE-OG1 3.39Å; K22-T66 HydrophobicContact CG-CG2 3.47Å; K22-T66 VanDerWaalsContact CG-CG2 3.47Å; P45-T66 HydrophobicContact CB-CG2 4.1Å; P45-T66 WeakPolarHBondContact O-CG2 3Å
67	S	96.2	Very high	96.9	Very high	108 Å²	108	44.7 Å²	44.7	76%	0.755	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-37.5	174.9	73.8	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 3.33Å
68	S	97.3	Very high	97	Very high	40 Å²	40	38.1 Å²	38.1	28%	0.28	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3	176.7	64.9	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.21Å; D65-S68 PolarHBondContact OD1-N 3.02Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 3.21Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.02Å; S68-T70 PolarHBondContact O-OG1 2.78Å
69	N	96.7	Very high	97.1	Very high	31 Å²	31	37.3 Å²	37.3	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	40.8	-178.8	-150.6	44.4	0	0	0	112.6	A16 F19 I21 D65	A16-N69 VanDerWaalsContact CB-ND2 3.32Å; A16-N69 WeakPolarHBondContact CB-ND2 3.13Å; A16-N69 PolarHBondContact N-O 2.87Å; A16-N69 PolarHBondContact O-ND2 2.86Å; F19-N69 PolarHBondContact O-ND2 2.9Å; I21-N69 WeakPolarHBondContact CB-OD1 3.32Å; I21-N69 VanDerWaalsContact CG2-OD1 3.28Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.43Å; I21-N69 PolarHBondContact N-OD1 2.89Å; D65-N69 PolarHBondContact O-N 2.84Å
70	T	97.8	Very high	96.9	Very high	10 Å²	10	38.6 Å²	38.6	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.6	-168.9	-57.8	0	0	0	0	111.9	C14 K15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.38Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; K15-T70 HydrophobicContact CB-CG2 4.5Å; A64-T70 WeakPolarHBondContact CA-O 3.25Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 2.81Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.02Å; S68-T70 PolarHBondContact O-OG1 2.78Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.92Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.2Å
71	A	97.4	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	151.9	168.4	0	0	0	0	0	110.4	S13 C14 I21 M26 W28 T63	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 PolarHBondContact N-O 2.83Å; C14-A71 PolarHBondContact O-N 2.79Å; I21-A71 HydrophobicContact CD1-CB 3.97Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 4.21Å; W28-A71 HydrophobicContact CZ2-CB 4.47Å; T63-A71 CarbonylContact O-C 3.59Å
72	Y	98.3	Very high	96.4	Very high	48 Å²	48	42 Å²	42	19%	0.188	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.5	-179.7	-54.7	-84.7	0	0	0	111.2	K11 L12 I62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; L12-Y72 WeakPolarHBondContact O-CA 3.3Å; I62-Y72 WeakPolarHBondContact CA-O 2.98Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 3.4Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.92Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.2Å
73	L	98.4	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.3	168.5	170.1	67.2	0	0	0	108	K11 L12 W28 I40 A60 I62 L75 Y86	K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.31Å; L12-L73 HydrophobicContact CB-CB 4.45Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 3.17Å; L12-L73 PolarHBondContact O-N 2.8Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 3.45Å; W28-L73 VanDerWaalsContact CD2-CB 3.45Å; W28-L73 HydrophobicContact CD2-CD2 3.94Å; W28-L73 HydrophobicContact CD2-CG 4.25Å; W28-L73 VanDerWaalsContact CE2-CB 3.5Å; W28-L73 HydrophobicContact CE3-CB 3.66Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.3Å; W28-L73 HydrophobicContact CG-CB 3.98Å; W28-L73 HydrophobicContact CG-CD2 4.19Å; W28-L73 HydrophobicContact CG-CG 4.47Å; W28-L73 HydrophobicContact CH2-CB 3.93Å; W28-L73 HydrophobicContact CZ2-CB 3.76Å; W28-L73 HydrophobicContact CZ3-CB 3.89Å; W28-L73 HydrophobicContact CZ3-CD2 4.3Å; I40-L73 HydrophobicContact CD1-CD2 3.66Å; I40-L73 HydrophobicContact CG2-CD1 4.19Å; A60-L73 HydrophobicContact CB-CD1 3.82Å; I62-L73 HydrophobicContact CG1-CD1 3.93Å; L73-L75 HydrophobicContact CD1-CD2 4.15Å; L73-L75 HydrophobicContact CD2-CD1 4.4Å; L73-L75 HydrophobicContact CD2-CD2 4.26Å; L73-L75 HydrophobicContact CD2-CG 4.31Å; L73-L75 HydrophobicContact CG-CD2 4.22Å; L73-L75 HydrophobicContact CG-CG 4.15Å; L73-Y86 HydrophobicContact CD2-CD1 3.84Å; L73-Y86 HydrophobicContact CD2-CE1 4.38Å
74	Q	98.2	Very high	96.2	Very high	64 Å²	64	41.7 Å²	41.7	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.6	172.5	-175.2	175.6	-27.1	0	0	109.4	L9 V10 A60 S61	L9-Q74 HydrophobicContact CD2-CG 4Å; L9-Q74 HydrophobicContact CG-CG 4.18Å; V10-Q74 CarbonylContact O-C 3.43Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.47Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.01Å; S61-Q74 PolarHBondContact N-O 2.91Å; S61-Q74 PolarHBondContact O-N 3Å
75	L	97.4	Very high	96.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132	176.6	-62.7	168.1	0	0	0	108.8	L9 V10 K59 A60 L73 L78 Y86 L103	L9-L75 VanDerWaalsContact CA-O 3.32Å; L9-L75 WeakPolarHBondContact CA-O 3.32Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.83Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; A60-L75 HydrophobicContact CB-CD2 4.12Å; L73-L75 HydrophobicContact CD1-CD2 4.15Å; L73-L75 HydrophobicContact CD2-CD1 4.4Å; L73-L75 HydrophobicContact CD2-CD2 4.26Å; L73-L75 HydrophobicContact CD2-CG 4.31Å; L73-L75 HydrophobicContact CG-CD2 4.22Å; L73-L75 HydrophobicContact CG-CG 4.15Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CB-CG 4.42Å; L75-L78 HydrophobicContact CD1-CD2 4.19Å; L75-Y86 HydrophobicContact CD1-CD1 4.12Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-Y86 HydrophobicContact CD2-CE1 4.45Å; L75-L103 HydrophobicContact CD1-CD2 3.97Å
76	S	96.4	Very high	96.2	Very high	35 Å²	35	39.2 Å²	39.2	25%	0.245	24%	0.235	C	C	.	.			trans	-111	158	178.6	60.4	0	0	0	0	111.5	K59 L78	K59-S76 PolarHBondContact O-N 2.91Å; K59-S76 PolarHBondContact O-OG 2.88Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.02Å
77	S	95.3	Very high	96.1	Very high	84 Å²	84	39.1 Å²	39.1	59%	0.587	23%	0.229	S	C	*	.	S	Bend	trans	51.2	48	172.4	-57.7	0	0	0	0	112.8	A8	A8-S77 PolarHBondContact O-N 3.26Å
78	L	95.4	Very high	96.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	20%	0.197	C	C	.	.			trans	-59.9	139.7	-174.1	-72.9	176.6	0	0	0	112.5	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CG2-CD1 3.66Å; P6-L78 CarbonylContact C-O 3.52Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; G7-L78 PolarHBondContact N-O 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 3.25Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG2-CD1 3.44Å; V10-L78 VanDerWaalsContact CG2-CD1 3.44Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CB-CG 4.42Å; L75-L78 HydrophobicContact CD1-CD2 4.19Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.02Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.47Å; L78-L103 HydrophobicContact CD1-CD2 3.98Å; L78-L103 HydrophobicContact CD2-CD2 4.14Å; L78-V105 HydrophobicContact CB-CG1 4.34Å; L78-V105 HydrophobicContact CB-CG2 4.02Å; L78-V105 HydrophobicContact CD1-CG2 4.36Å
79	T	94.6	Very high	95.9	Very high	56 Å²	56	32.7 Å²	32.7	34%	0.344	18%	0.184	S	C	.	.			trans	-122.6	168.8	175.5	65.1	0	0	0	0	110.1	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.31Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 3.44Å; T79-V105 WeakPolarHBondContact O-CB 3.09Å; T79-V105 VanDerWaalsContact O-CG2 3.31Å; T79-V105 WeakPolarHBondContact O-CG2 3.38Å
80	S	92.6	Very high	95.5	Very high	75 Å²	75	33.4 Å²	33.4	52%	0.524	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-53.5	-31.8	176	51.9	0	0	0	0	112.8	D82 T83	S80-D82 PolarHBondContact O-N 2.87Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.23Å; S80-T83 PolarHBondContact O-N 3.35Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.98Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å
81	E	91.3	Very high	94.4	Very high	129 Å²	129	35.8 Å²	35.8	60%	0.603	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-65.6	-16.4	176.3	-59.7	-176.5	174.9	0	0	114.1	K30 T79 T83	K30-E81 PolarHBondContact NZ-O 3.2Å; T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-T83 VanDerWaalsContact C-N 3.27Å
82	D	93.9	Very high	92.5	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-83.7	-2	174.3	-59.1	-49.3	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.5Å; K30-D82 PolarHBondContact NZ-OD1 3Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 VanDerWaalsContact CE-OD1 3.27Å; K59-D82 WeakPolarHBondContact CE-OD1 3.49Å; K59-D82 WeakPolarHBondContact CE-OD2 3.04Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 3.5Å; K59-D82 IonicContact NZ-OD2 2.59Å; K59-D82 PolarHBondContact NZ-OD2 3.45Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.47Å; T79-D82 PolarHBondContact N-OD2 3.31Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 3.44Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-Y86 WeakPolarHBondContact O-CE2 3.21Å; D82-Y86 PolarHBondContact O-OH 2.78Å; D82-V105 HydrophobicContact CB-CG2 4.15Å
83	T	95.2	Very high	90.6	Very high	48 Å²	48	41.6 Å²	41.6	29%	0.294	25%	0.245	S	C	.	.			trans	-64.2	111.4	171.4	-63.1	0	0	0	0	109.8	S80 E81 L103 T104 V105	S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.23Å; S80-T83 PolarHBondContact O-N 3.35Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.98Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å; E81-T83 VanDerWaalsContact C-N 3.27Å; T83-L103 VanDerWaalsContact CA-O 3.31Å; T83-L103 WeakPolarHBondContact CA-O 3.18Å; T83-T104 HydrophobicContact CG2-CG2 4.25Å; T83-V105 PolarHBondContact OG1-N 2.77Å
84	A	96.1	Very high	88.8	Confident	5 Å²	5	46.7 Å²	46.7	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	171.1	-171.2	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 4.17Å; D82-A84 PolarHBondContact O-N 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-L103 PolarHBondContact N-O 3.43Å; A84-L103 PolarHBondContact O-N 2.94Å
85	V	96.9	Very high	87.5	Confident	32 Å²	32	46 Å²	46	19%	0.194	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.3	162.5	-168.6	0	0	0	0	108.7	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.99Å; Q31-V85 PolarHBondContact O-N 3.12Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.28Å
86	Y	97.2	Very high	86.9	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126	179.7	-70.9	-96.1	0	0	0	109.9	L12 V29 K30 I40 L73 L75 D82 A84 G100 T101 L103	L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.68Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; K30-Y86 HydrophobicContact CB-CD1 4.24Å; K30-Y86 HydrophobicContact CB-CE1 3.97Å; K30-Y86 HydrophobicContact CD-CE1 4.14Å; K30-Y86 HydrophobicContact CG-CD1 4.46Å; K30-Y86 HydrophobicContact CG-CE1 3.9Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.83Å; L73-Y86 HydrophobicContact CD2-CD1 3.84Å; L73-Y86 HydrophobicContact CD2-CE1 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.12Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-Y86 HydrophobicContact CD2-CE1 4.45Å; D82-Y86 WeakPolarHBondContact O-CE2 3.21Å; D82-Y86 PolarHBondContact O-OH 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; Y86-G100 CarbonylContact O-C 3.51Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.3Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 2.77Å; Y86-L103 HydrophobicContact CD2-CB 3.87Å; Y86-L103 HydrophobicContact CD2-CD2 4.37Å; Y86-L103 HydrophobicContact CE2-CB 3.77Å; Y86-L103 HydrophobicContact CE2-CD2 3.79Å; Y86-L103 HydrophobicContact CE2-CG 4.39Å
87	Y	95.9	Very high	86.7	Confident	46 Å²	46	56 Å²	56	18%	0.18	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.3	-179.2	-61.5	-87.7	0	0	0	110.6	W28 V29 Q31 V85 W97 G98 G100	W28-Y87 WeakPolarHBondContact CA-O 3.43Å; V29-Y87 PolarHBondContact N-O 2.89Å; V29-Y87 PolarHBondContact O-N 3.34Å; Q31-Y87 HydrophobicContact CB-CD2 4.24Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.03Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.28Å; Y87-W97 HydrophobicContact CD1-CE3 4.28Å; Y87-W97 AromaticContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CZ3 4.21Å; Y87-G98 WeakPolarHBondContact CD1-O 3.31Å; Y87-G100 VanDerWaalsContact CE1-CA 3.49Å
88	C	95.3	Very high	86.5	Confident	12 Å²	12	53.4 Å²	53.4	8%	0.081	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.9	157.9	59.4	0	0	0	0	109.5	C14 H27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.18Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.79Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G98 PolarHBondContact O-N 3.3Å
89	A	93.5	Very high	86.4	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.7	174.9	0	0	0	0	0	110.9	H27 Y96 W97	H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.16Å; H27-A89 PolarHBondContact O-N 2.88Å; A89-Y96 WeakPolarHBondContact CA-O 3.4Å; A89-W97 HydrophobicContact CB-CD2 4.03Å; A89-W97 HydrophobicContact CB-CE3 4.27Å; A89-W97 HydrophobicContact CB-CG 4.38Å
90	R	88.7	Confident	86.3	Confident	47 Å²	47	60.9 Å²	60.9	18%	0.177	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.7	176	-175.7	-173.9	72.2	165.3	-9.3	110.1	F19 H24 M26 Y96	F19-R90 HydrophobicContact CE2-CG 4.34Å; F19-R90 HydrophobicContact CZ-CB 4.46Å; F19-R90 HydrophobicContact CZ-CG 4.28Å; H24-R90 HydrophobicContact CB-CG 3.65Å; H24-R90 PolarHBondContact NE2-NH1 2.95Å; M26-R90 HydrophobicContact SD-CB 4.49Å; R90-Y96 PolarHBondContact N-O 3.18Å; R90-Y96 VanDerWaalsContact N-O 3.08Å
91	D	73.5	Confident	86.5	Confident	59 Å²	59	59.6 Å²	59.6	32%	0.316	32%	0.322	S	S	.	.	S	Bend	trans	64.6	148.7	172.6	-162.1	-5.9	0	0	0	115.1	Y25 S93 Y94	Y25-D91 PolarHBondContact O-N 3.06Å; D91-S93 PolarHBondContact O-N 2.81Å; D91-Y94 PolarHBondContact O-N 2.6Å
92	S	59.5	Low	86.7	Confident	82 Å²	82	56.3 Å²	56.3	57%	0.573	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.5	-178.2	61.9	0	0	0	0	114.7	Y94	S92-Y94 VanDerWaalsContact C-N 3.28Å; S92-Y94 VanDerWaalsContact O-CD2 3.24Å; S92-Y94 WeakPolarHBondContact O-CD2 3.28Å; S92-Y94 WeakPolarHBondContact O-CE2 3.47Å
93	S	58.3	Low	86.8	Confident	89 Å²	89	56.1 Å²	56.1	62%	0.622	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-0	174.9	53.3	0	0	0	0	113.7	D91 G95	D91-S93 PolarHBondContact O-N 2.81Å; S93-G95 PolarHBondContact O-N 3.28Å
94	Y	60.6	Low	86.8	Confident	106 Å²	106	56.4 Å²	56.4	42%	0.416	31%	0.311	S	S	.	.			trans	52	22.8	173.4	-61.3	-74.4	0	0	0	115.3	D91 S92 Y96 W97	D91-Y94 PolarHBondContact O-N 2.6Å; S92-Y94 VanDerWaalsContact C-N 3.28Å; S92-Y94 VanDerWaalsContact O-CD2 3.24Å; S92-Y94 WeakPolarHBondContact O-CD2 3.28Å; S92-Y94 WeakPolarHBondContact O-CE2 3.47Å; Y94-Y96 VanDerWaalsContact C-N 3.26Å; Y94-Y96 PolarHBondContact O-N 3.13Å; Y94-W97 HydrophobicContact CD1-CH2 4.21Å; Y94-W97 AromaticContact CD1-CZ2 3.46Å; Y94-W97 HydrophobicContact CD1-CZ2 3.46Å; Y94-W97 VanDerWaalsContact CD1-CZ2 3.46Å; Y94-W97 HydrophobicContact CE1-CZ2 4.2Å; Y94-W97 HydrophobicContact CG-CZ2 4.12Å; Y94-W97 VanDerWaalsContact O-CD1 3.23Å; Y94-W97 PolarHBondContact O-NE1 2.89Å
95	G	70	Confident	86.7	Confident	51 Å²	51	56.5 Å²	56.5	53%	0.526	31%	0.311	S	S	.	.			trans	-70.3	-21.2	-173.9	0	0	0	0	0	114.1	S93	S93-G95 PolarHBondContact O-N 3.28Å
96	Y	85.2	Confident	86.4	Confident	152 Å²	152	57.1 Å²	57.1	60%	0.596	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	114.5	-172.9	-58.2	-85.6	0	0	0	111.6	A89 R90 Y94	A89-Y96 WeakPolarHBondContact CA-O 3.4Å; R90-Y96 PolarHBondContact N-O 3.18Å; R90-Y96 VanDerWaalsContact N-O 3.08Å; Y94-Y96 VanDerWaalsContact C-N 3.26Å; Y94-Y96 PolarHBondContact O-N 3.13Å
97	W	91.2	Very high	85.5	Confident	94 Å²	94	64.8 Å²	64.8	36%	0.356	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.5	178.6	-67	70.5	0	0	0	110.3	V29 L37 Y87 A89 Y94	V29-W97 HydrophobicContact CB-CH2 4.13Å; V29-W97 HydrophobicContact CB-CZ3 3.8Å; V29-W97 HydrophobicContact CG1-CH2 4.05Å; V29-W97 HydrophobicContact CG1-CZ3 3.98Å; V29-W97 HydrophobicContact CG2-CH2 3.8Å; V29-W97 HydrophobicContact CG2-CZ3 3.86Å; L37-W97 HydrophobicContact CD1-CH2 3.9Å; L37-W97 HydrophobicContact CD1-CZ2 4.4Å; Y87-W97 HydrophobicContact CD1-CE3 4.28Å; Y87-W97 AromaticContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CZ3 4.21Å; A89-W97 HydrophobicContact CB-CD2 4.03Å; A89-W97 HydrophobicContact CB-CE3 4.27Å; A89-W97 HydrophobicContact CB-CG 4.38Å; Y94-W97 HydrophobicContact CD1-CH2 4.21Å; Y94-W97 AromaticContact CD1-CZ2 3.46Å; Y94-W97 HydrophobicContact CD1-CZ2 3.46Å; Y94-W97 VanDerWaalsContact CD1-CZ2 3.46Å; Y94-W97 HydrophobicContact CE1-CZ2 4.2Å; Y94-W97 HydrophobicContact CG-CZ2 4.12Å; Y94-W97 VanDerWaalsContact O-CD1 3.23Å; Y94-W97 PolarHBondContact O-NE1 2.89Å
98	G	91.9	Very high	84.9	Confident	28 Å²	28	65.8 Å²	65.8	29%	0.289	38%	0.381	S	S	.	.			trans	-66.2	166	164.4	0	0	0	0	0	111.4	Y87 C88 G100	Y87-G98 WeakPolarHBondContact CD1-O 3.31Å; C88-G98 PolarHBondContact O-N 3.3Å; G98-G100 PolarHBondContact O-N 2.77Å; G98-G100 VanDerWaalsContact O-N 3.1Å
99	Q	92.6	Very high	84.4	Confident	190 Å²	190	68.6 Å²	68.6	89%	0.888	40%	0.397	S	S	*	.			trans	-63	-17.4	178.3	-65.8	-63.8	-40	0	0	113.6
100	G	93.9	Very high	83.9	Confident	26 Å²	26	72.3 Å²	72.3	27%	0.268	42%	0.418	S	S	.	.			trans	81.8	150	-175.4	0	0	0	0	0	112.5	Y86 Y87 G98	Y86-G100 CarbonylContact O-C 3.51Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.3Å; Y87-G100 VanDerWaalsContact CE1-CA 3.49Å; G98-G100 PolarHBondContact O-N 2.77Å; G98-G100 VanDerWaalsContact O-N 3.1Å
101	T	96.1	Very high	83.6	Confident	48 Å²	48	73.8 Å²	73.8	29%	0.294	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.5	174.5	-60.4	0	0	0	0	108.8	L12 Y86 L103	L12-T101 HydrophobicContact CD2-CG2 3.99Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 2.77Å; T101-L103 PolarHBondContact O-N 3.49Å
102	T	96.3	Very high	84.2	Confident	60 Å²	60	74.8 Å²	74.8	37%	0.368	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.3	171	-47	0	0	0	0	109.6	A1 E2	A1-T102 CarbonylContact C-O 3.58Å; A1-T102 WeakPolarHBondContact CA-O 3.5Å; E2-T102 PolarHBondContact N-O 2.91Å
103	L	95.3	Very high	85.9	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	170.1	-177.9	64.2	0	0	0	108.1	E2 V4 V10 L75 L78 T83 A84 Y86 T101	E2-L103 HydrophobicContact CB-CD1 3.95Å; E2-L103 HydrophobicContact CG-CD1 4.28Å; V4-L103 HydrophobicContact CG1-CD1 4.02Å; V4-L103 HydrophobicContact CG2-CD1 3.88Å; V10-L103 HydrophobicContact CG1-CD1 4.17Å; V10-L103 HydrophobicContact CG2-CD1 4.21Å; L75-L103 HydrophobicContact CD1-CD2 3.97Å; L78-L103 HydrophobicContact CD1-CD2 3.98Å; L78-L103 HydrophobicContact CD2-CD2 4.14Å; T83-L103 VanDerWaalsContact CA-O 3.31Å; T83-L103 WeakPolarHBondContact CA-O 3.18Å; A84-L103 PolarHBondContact N-O 3.43Å; A84-L103 PolarHBondContact O-N 2.94Å; Y86-L103 HydrophobicContact CD2-CB 3.87Å; Y86-L103 HydrophobicContact CD2-CD2 4.37Å; Y86-L103 HydrophobicContact CE2-CB 3.77Å; Y86-L103 HydrophobicContact CE2-CD2 3.79Å; Y86-L103 HydrophobicContact CE2-CG 4.39Å; T101-L103 PolarHBondContact O-N 3.49Å
104	T	95.6	Very high	87.9	Confident	54 Å²	54	73.2 Å²	73.2	33%	0.331	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.9	176.6	-56.2	0	0	0	0	108.6	E2 L3 V4 T83	E2-T104 PolarHBondContact O-N 3.48Å; L3-T104 CarbonylContact C-O 3.58Å; L3-T104 WeakPolarHBondContact CA-O 3.46Å; L3-T104 HydrophobicContact CD1-CG2 3.79Å; V4-T104 PolarHBondContact N-O 2.92Å; T83-T104 HydrophobicContact CG2-CG2 4.25Å
105	V	94.1	Very high	90	Very high	6 Å²	6	70.7 Å²	70.7	4%	0.036	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.3	176	-171.5	0	0	0	0	107.6	V4 P6 L78 T79 D82 T83	V4-V105 HydrophobicContact CG2-CB 4.39Å; V4-V105 HydrophobicContact CG2-CG1 4.46Å; V4-V105 HydrophobicContact CG2-CG2 3.86Å; V4-V105 CarbonylContact O-C 3.58Å; V4-V105 WeakPolarHBondContact O-CA 3.2Å; P6-V105 HydrophobicContact CG-CG1 4.27Å; L78-V105 HydrophobicContact CB-CG1 4.34Å; L78-V105 HydrophobicContact CB-CG2 4.02Å; L78-V105 HydrophobicContact CD1-CG2 4.36Å; T79-V105 WeakPolarHBondContact O-CB 3.09Å; T79-V105 VanDerWaalsContact O-CG2 3.31Å; T79-V105 WeakPolarHBondContact O-CG2 3.38Å; D82-V105 HydrophobicContact CB-CG2 4.15Å; T83-V105 PolarHBondContact OG1-N 2.77Å
106	S	89.9	Confident	91.6	Very high	45 Å²	45	72.3 Å²	72.3	32%	0.315	41%	0.408	S	S	.	.			trans	-62.4	140.7	178.4	63.8	0	0	0	0	110.2	V4 P6	V4-S106 PolarHBondContact O-N 3.34Å; V4-S106 PolarHBondContact O-OG 2.62Å; P6-S106 WeakPolarHBondContact CD-O 3.2Å; P6-S106 WeakPolarHBondContact CG-O 3.08Å
107	S	77.5	Confident	92.2	Very high	165 Å²	165	65.1 Å²	65.1	100%	1.154	39%	0.391	S	S	*	.			trans	-68.8	0	170.9	53.6	0	0	0	0	112.5

Retrieved 107 of 107 residues in 25.2 ms (Link to these results)

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