X5J542_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J542, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J542_MOUSE|X5J542
AELVKPGASVKLSCTGSGFNIKDTFIHWVKQRPEQGLEWIGGIDPANGNTNYDPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCARKDEYFDYWGQGTTLTVSSAKT
					

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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	77.3	Confident	91.8	Very high	116 Å²	116	74.1 Å²	74.1	96%	0.959	45%	0.45	S	S	*	.				0	140.8	0	0	0	0	0	0	108.2	T103	A1-T103 CarbonylContact C-O 3.59Å; A1-T103 WeakPolarHBondContact CA-O 3.38Å
2	E	86.2	Confident	92.2	Very high	73 Å²	73	68.4 Å²	68.4	34%	0.341	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.2	-174.8	-164.6	172.8	165.1	0	0	110.1	V4 V10 T103 L104 T105	E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; E2-T103 PolarHBondContact N-O 2.78Å; E2-L104 HydrophobicContact CB-CD1 4.02Å; E2-L104 HydrophobicContact CG-CD1 4.39Å; E2-L104 CarbonylContact O-C 3.53Å; E2-L104 WeakPolarHBondContact O-CA 3.46Å; E2-T105 PolarHBondContact O-N 3.47Å
3	L	91	Very high	92.5	Very high	104 Å²	104	68.8 Å²	68.8	55%	0.545	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.4	178.2	177.3	65.3	0	0	0	108.9	T105	L3-T105 WeakPolarHBondContact CA-O 3.27Å; L3-T105 HydrophobicContact CD1-CG2 3.73Å
4	V	93.1	Very high	92.7	Very high	18 Å²	18	65.4 Å²	65.4	11%	0.109	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.3	-175.7	-60.1	0	0	0	0	111.5	E2 A8 L78 L104 T105 V106 S107	E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-A8 HydrophobicContact CB-CB 4.39Å; V4-L78 HydrophobicContact CB-CD1 4.45Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; V4-L104 HydrophobicContact CG1-CD1 4.31Å; V4-L104 HydrophobicContact CG2-CD1 3.88Å; V4-T105 PolarHBondContact N-O 3.49Å; V4-V106 HydrophobicContact CG2-CB 4.41Å; V4-V106 HydrophobicContact CG2-CG1 4.44Å; V4-V106 HydrophobicContact CG2-CG2 3.84Å; V4-V106 WeakPolarHBondContact O-CA 3.36Å; V4-S107 PolarHBondContact O-N 3.48Å
5	K	92.6	Very high	92.8	Very high	153 Å²	153	67.1 Å²	67.1	67%	0.665	41%	0.413	S	S	*	.			trans	-84.9	152.1	176.5	-66.1	179.5	-176.9	173.4	0	110.5	A8	K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.21Å
6	P	94.4	Very high	92.6	Very high	69 Å²	69	63.5 Å²	63.5	45%	0.448	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	141.3	169.6	-24.8	33.5	0	0	0	112	A8 L78 V106	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.06Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 2.99Å; P6-V106 HydrophobicContact CB-CG1 4.39Å; P6-V106 HydrophobicContact CG-CG1 4.12Å
7	G	93.1	Very high	92.4	Very high	55 Å²	55	66.1 Å²	66.1	57%	0.567	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-10.4	-177.2	0	0	0	0	0	115	L78	G7-L78 PolarHBondContact N-O 2.95Å
8	A	94.3	Very high	92.1	Very high	34 Å²	34	67.4 Å²	67.4	28%	0.281	44%	0.443	S	S	.	.			trans	-70.8	166.7	174.5	0	0	0	0	0	111.9	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.39Å; K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.21Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.06Å; A8-S77 PolarHBondContact O-N 3.39Å; A8-L78 WeakPolarHBondContact O-CB 3.23Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.99Å
9	S	95.3	Very high	91.8	Very high	71 Å²	71	66.9 Å²	66.9	50%	0.497	43%	0.433	S	S	.	.			trans	-117.4	144.5	170.7	-58.5	0	0	0	0	109.4	L75 S76	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3Å; S9-L75 WeakPolarHBondContact CB-O 2.93Å; S9-S76 WeakPolarHBondContact OG-CA 2.98Å
10	V	95.8	Very high	91.7	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.6	177.9	64	0	0	0	0	110.3	E2 L12 Q74 L75 L78 L104	E2-V10 WeakPolarHBondContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; V10-L12 HydrophobicContact CG2-CD2 3.86Å; V10-L12 HydrophobicContact CG2-CG 4.33Å; V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; V10-L75 HydrophobicContact CG1-CB 3.89Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 2.82Å; V10-L75 PolarHBondContact O-N 2.95Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.44Å; V10-L104 HydrophobicContact CB-CD1 4.45Å; V10-L104 HydrophobicContact CG1-CD1 4.21Å; V10-L104 HydrophobicContact CG1-CD2 3.9Å; V10-L104 HydrophobicContact CG2-CD1 4.32Å
11	K	96.8	Very high	91.7	Very high	118 Å²	118	63.9 Å²	63.9	51%	0.513	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	106.4	171	-176	176.6	177	-178.3	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 HydrophobicContact CG-CD1 4.3Å
12	L	96.7	Very high	92.3	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.031	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	149.1	173.3	-55.9	179.7	0	0	0	109.8	V10 W28 Y72 L73 Y86 T102	V10-L12 HydrophobicContact CG2-CD2 3.86Å; V10-L12 HydrophobicContact CG2-CG 4.33Å; L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.11Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.4Å; L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.85Å; L12-Y86 VanDerWaalsContact CD1-CB 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T102 HydrophobicContact CD2-CG2 3.95Å
13	S	96.1	Very high	92.5	Very high	73 Å²	73	65.3 Å²	65.3	51%	0.51	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.2	178.6	59.9	0	0	0	0	111.1	A71	S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 3.39Å
14	C	94.6	Very high	92.4	Very high	21 Å²	21	60.7 Å²	60.7	14%	0.142	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	106.2	175.5	177.5	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; C14-A71 PolarHBondContact N-O 2.7Å; C14-A71 PolarHBondContact O-N 2.92Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.26Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.92Å
15	T	94.8	Very high	92.3	Very high	91 Å²	91	63.9 Å²	63.9	56%	0.558	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.9	-179.3	-55.7	0	0	0	0	110	T70	T15-T70 PolarHBondContact OG1-OG1 2.75Å
16	G	89.8	Confident	92.4	Very high	10 Å²	10	56.8 Å²	56.8	10%	0.103	36%	0.357	C	S	.	.			trans	-68	135.6	172.7	0	0	0	0	0	110.8	F19 N69	G16-F19 VanDerWaalsContact CA-CZ 3.45Å; G16-N69 VanDerWaalsContact C-ND2 3.32Å; G16-N69 PolarHBondContact N-O 3.09Å; G16-N69 PolarHBondContact O-ND2 3.4Å
17	S	89.3	Confident	92.4	Very high	108 Å²	108	54.4 Å²	54.4	76%	0.755	34%	0.34	S	S	*	.	S	Bend	trans	-126.9	127.9	175.8	-176.4	0	0	0	0	109.5	F19	S17-F19 VanDerWaalsContact C-N 3.3Å; S17-F19 VanDerWaalsContact O-CD1 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.32Å; S17-F19 PolarHBondContact O-N 3.26Å
18	G	87.4	Confident	92.6	Very high	89 Å²	89	52 Å²	52	92%	0.918	31%	0.314	S	S	*	.	S	Bend	trans	76.6	9.4	-177.9	0	0	0	0	0	115.4
19	F	86	Confident	92.6	Very high	59 Å²	59	50.7 Å²	50.7	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-152.8	162.4	174	68.1	-83.3	0	0	0	110.7	G16 S17 I21 T24 I26 N69 R90	G16-F19 VanDerWaalsContact CA-CZ 3.45Å; S17-F19 VanDerWaalsContact C-N 3.3Å; S17-F19 VanDerWaalsContact O-CD1 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.32Å; S17-F19 PolarHBondContact O-N 3.26Å; F19-I21 HydrophobicContact CE2-CB 4.39Å; F19-I21 HydrophobicContact CE2-CG1 4.29Å; F19-T24 HydrophobicContact CD2-CG2 4.05Å; F19-T24 HydrophobicContact CE2-CG2 3.82Å; F19-I26 HydrophobicContact CE2-CD1 4.42Å; F19-N69 PolarHBondContact O-ND2 3.04Å; F19-R90 VanDerWaalsContact CE2-CD 3.48Å; F19-R90 HydrophobicContact CE2-CG 4.31Å; F19-R90 VanDerWaalsContact CG-NH1 3.3Å; F19-R90 HydrophobicContact CZ-CG 4.48Å
20	N	89.9	Confident	92.6	Very high	69 Å²	69	47.5 Å²	47.5	37%	0.369	28%	0.279	S	S	.	.			trans	-92.7	122.7	172.1	177.9	4.6	0	0	0	109.7	K22 D23	N20-K22 PolarHBondContact O-N 2.75Å; N20-K22 WeakPolarHBondContact OD1-CB 3.35Å; N20-K22 PolarHBondContact OD1-N 3.13Å; N20-K22 VanDerWaalsContact OD1-N 3.09Å; N20-D23 WeakPolarHBondContact CB-OD2 3.45Å; N20-D23 PolarHBondContact O-N 3.42Å; N20-D23 VanDerWaalsContact O-N 3.12Å
21	I	91.1	Very high	92.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.6	-21.1	-176.1	-150.6	174.2	0	0	0	112.3	F19 D23 T24 I26 P45 T66 N69 A71	F19-I21 HydrophobicContact CE2-CB 4.39Å; F19-I21 HydrophobicContact CE2-CG1 4.29Å; I21-D23 PolarHBondContact O-N 2.86Å; I21-T24 WeakPolarHBondContact O-CG2 3.36Å; I21-I26 HydrophobicContact CD1-CD1 4.31Å; I21-I26 HydrophobicContact CD1-CG1 3.83Å; I21-I26 HydrophobicContact CG1-CD1 3.77Å; I21-I26 HydrophobicContact CG1-CG1 3.5Å; I21-I26 VanDerWaalsContact CG1-CG1 3.5Å; I21-P45 HydrophobicContact CG1-CG 4.17Å; I21-P45 HydrophobicContact CG2-CB 4.18Å; I21-P45 WeakPolarHBondContact O-CG 3.46Å; I21-T66 HydrophobicContact CG2-CG2 4.4Å; I21-N69 VanDerWaalsContact CB-OD1 3.26Å; I21-N69 WeakPolarHBondContact CB-OD1 3.44Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.4Å; I21-N69 PolarHBondContact N-OD1 3.46Å; I21-A71 HydrophobicContact CD1-CB 3.73Å
22	K	91.1	Very high	92.3	Very high	94 Å²	94	48 Å²	48	41%	0.409	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-63.1	-26	174.2	-73.1	-168.7	178.7	-170.8	0	113.7	N20 T24 T66	N20-K22 PolarHBondContact O-N 2.75Å; N20-K22 WeakPolarHBondContact OD1-CB 3.35Å; N20-K22 PolarHBondContact OD1-N 3.13Å; N20-K22 VanDerWaalsContact OD1-N 3.09Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.01Å; K22-T66 HydrophobicContact CD-CG2 4.07Å; K22-T66 VanDerWaalsContact CE-CG2 3.49Å; K22-T66 WeakPolarHBondContact CE-OG1 3.4Å; K22-T66 HydrophobicContact CG-CG2 3.41Å; K22-T66 VanDerWaalsContact CG-CG2 3.41Å
23	D	89.2	Confident	91.6	Very high	125 Å²	125	53.6 Å²	53.6	67%	0.668	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-90.4	4.8	-169.1	-56.4	-32.6	0	0	0	112.4	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.45Å; N20-D23 PolarHBondContact O-N 3.42Å; N20-D23 VanDerWaalsContact O-N 3.12Å; I21-D23 PolarHBondContact O-N 2.86Å
24	T	88.6	Confident	90.9	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.037	34%	0.336	C	S	.	.	S	Bend	trans	-146	155	-170.4	176	0	0	0	0	112	F19 I21 K22 I26 P45 R90 K91	F19-T24 HydrophobicContact CD2-CG2 4.05Å; F19-T24 HydrophobicContact CE2-CG2 3.82Å; I21-T24 WeakPolarHBondContact O-CG2 3.36Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.01Å; T24-I26 HydrophobicContact CG2-CD1 3.8Å; T24-P45 WeakPolarHBondContact O-CD 3.05Å; T24-R90 HydrophobicContact CG2-CG 3.71Å; T24-R90 WeakPolarHBondContact OG1-CG 3.37Å; T24-K91 PolarHBondContact OG1-O 2.91Å
25	F	91.5	Very high	90.2	Very high	86 Å²	86	63.3 Å²	63.3	38%	0.377	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.6	163.9	-82	-101.6	0	0	0	111.1	I43 D44 K91	F25-I43 WeakPolarHBondContact CA-O 3.42Å; F25-D44 HydrophobicContact CD1-CB 4.12Å; F25-D44 HydrophobicContact CE1-CB 3.55Å; F25-D44 HydrophobicContact CE2-CB 4.17Å; F25-D44 HydrophobicContact CZ-CB 3.57Å; F25-K91 HydrophobicContact CB-CB 4.49Å; F25-K91 PolarHBondContact N-O 3.26Å; F25-K91 PolarHBondContact O-N 3.48Å
26	I	94	Very high	89.8	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.2	172	-55.9	-57.2	0	0	0	109.2	F19 I21 T24 G42 I43 P45 A71 C88 R90	F19-I26 HydrophobicContact CE2-CD1 4.42Å; I21-I26 HydrophobicContact CD1-CD1 4.31Å; I21-I26 HydrophobicContact CD1-CG1 3.83Å; I21-I26 HydrophobicContact CG1-CD1 3.77Å; I21-I26 HydrophobicContact CG1-CG1 3.5Å; I21-I26 VanDerWaalsContact CG1-CG1 3.5Å; T24-I26 HydrophobicContact CG2-CD1 3.8Å; I26-G42 CarbonylContact O-C 3.48Å; I26-G42 WeakPolarHBondContact O-CA 3.38Å; I26-I43 HydrophobicContact CB-CG2 4.11Å; I26-I43 PolarHBondContact N-O 2.78Å; I26-I43 PolarHBondContact O-N 2.59Å; I26-P45 HydrophobicContact CG1-CG 4.2Å; I26-A71 HydrophobicContact CB-CB 4.26Å; I26-A71 HydrophobicContact CG1-CB 4.43Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; I26-C88 HydrophobicContact CG2-CB 4.41Å; I26-R90 HydrophobicContact CD1-CB 4.26Å; I26-R90 HydrophobicContact CD1-CG 4.11Å
27	H	94.9	Very high	89.9	Confident	19 Å²	19	65.8 Å²	65.8	9%	0.088	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151	179.8	-64.4	-79.4	0	0	0	111.1	W39 G41 C88 A89 F95	H27-W39 AromaticContact CG-NE1 3.74Å; H27-W39 AromaticContact ND1-CE2 3.78Å; H27-W39 AromaticContact ND1-CZ2 3.81Å; H27-W39 AromaticContact ND1-NE1 3.16Å; H27-W39 PolarHBondContact ND1-NE1 3.19Å; H27-W39 VanDerWaalsContact ND1-NE1 3.16Å; H27-G41 WeakPolarHBondContact CA-O 3.42Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; H27-A89 PolarHBondContact N-O 3.12Å; H27-A89 PolarHBondContact O-N 2.77Å; H27-F95 HydrophobicContact CB-CE1 3.66Å; H27-F95 HydrophobicContact CB-CZ 4.44Å; H27-F95 AromaticContact CD2-CE1 3.17Å; H27-F95 WeakPolarHBondContact CD2-CE1 3.21Å; H27-F95 AromaticContact CD2-CZ 3.64Å; H27-F95 AromaticContact CG-CE1 3.42Å; H27-F95 VanDerWaalsContact CG-CE1 3.42Å; H27-F95 AromaticContact CG-CZ 3.88Å; H27-F95 AromaticContact NE2-CE1 3.86Å; H27-F95 AromaticContact NE2-CZ 3.85Å
28	W	96.6	Very high	90.2	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.019	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.1	174.5	-72.3	95.3	0	0	0	110.2	L12 C14 I40 G41 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.11Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.31Å; W28-I40 PolarHBondContact O-N 3.07Å; W28-G41 PolarHBondContact N-O 2.98Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.89Å; W28-L73 HydrophobicContact CD2-CG 4.24Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.77Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.38Å; W28-L73 HydrophobicContact CG-CB 3.96Å; W28-L73 HydrophobicContact CG-CD1 4.49Å; W28-L73 HydrophobicContact CG-CD2 4.08Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 4.02Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 4.02Å; W28-L73 HydrophobicContact CZ3-CD2 4.36Å; W28-Y87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.35Å; W28-C88 HydrophobicContact CE3-CB 4.19Å; W28-C88 HydrophobicContact CH2-CB 4.23Å; W28-C88 HydrophobicContact CZ2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å
29	V	95.7	Very high	90.6	Very high	6 Å²	6	61.8 Å²	61.8	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.9	-175	-176.7	0	0	0	0	109.2	L37 E38 Y86 Y87 W98	V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.33Å; V29-Y86 WeakPolarHBondContact O-CA 3.3Å; V29-Y87 PolarHBondContact N-O 2.78Å; V29-Y87 PolarHBondContact O-N 2.79Å; V29-W98 HydrophobicContact CB-CH2 4.04Å; V29-W98 HydrophobicContact CB-CZ3 3.77Å; V29-W98 HydrophobicContact CG1-CH2 3.97Å; V29-W98 HydrophobicContact CG1-CZ3 3.92Å; V29-W98 HydrophobicContact CG2-CH2 3.73Å; V29-W98 HydrophobicContact CG2-CZ3 3.87Å
30	K	95.5	Very high	91.1	Very high	3 Å²	3	59 Å²	59	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133	174.6	-177.8	-177.5	179.4	-176.7	0	109.2	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 3.11Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; K30-E81 PolarHBondContact NZ-O 3Å; K30-D82 IonicContact NZ-OD1 3.17Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.32Å; K30-Y86 HydrophobicContact CB-CE1 4.05Å; K30-Y86 HydrophobicContact CD-CE1 4.19Å; K30-Y86 HydrophobicContact CG-CE1 3.95Å
31	Q	95.1	Very high	91.4	Very high	72 Å²	72	55.7 Å²	55.7	34%	0.336	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122	171.2	-167.8	-178	28	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; Q31-V85 PolarHBondContact N-O 3.33Å; Q31-V85 PolarHBondContact O-N 3.43Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 3.41Å
32	R	90.9	Very high	91.6	Very high	60 Å²	60	55.8 Å²	55.8	23%	0.226	29%	0.285	C	S	.	.			trans	-96	150.2	173	-60.9	-172.6	-141.1	-174.5	-2.7	109.8	E34 Q35 E38 A84	R32-E34 PolarHBondContact O-N 2.85Å; R32-Q35 HydrophobicContact CB-CB 3.76Å; R32-Q35 HydrophobicContact CG-CB 4.44Å; R32-Q35 VanDerWaalsContact NE-OE1 3.15Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.15Å; R32-Q35 PolarHBondContact O-N 3.08Å; R32-E38 IonicContact CZ-OE2 3.42Å; R32-E38 IonicContact NE-OE2 2.85Å; R32-E38 PolarHBondContact NE-OE2 2.87Å; R32-E38 IonicContact NH2-OE1 2.59Å; R32-E38 PolarHBondContact NH2-OE1 2.8Å; R32-E38 IonicContact NH2-OE2 3.69Å; R32-E38 PolarHBondContact NH2-OE2 3.04Å; R32-A84 HydrophobicContact CG-CB 4.17Å
33	P	80.5	Confident	91.8	Very high	124 Å²	124	51.5 Å²	51.5	81%	0.805	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.5	-177.7	-27.6	35.2	0	0	0	115.1
34	E	82.3	Confident	92.1	Very high	196 Å²	196	46.7 Å²	46.7	92%	0.916	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.2	7.6	-177.8	-57.5	-165.2	167.1	0	0	113.7	R32	R32-E34 PolarHBondContact O-N 2.85Å
35	Q	80.2	Confident	92.3	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	24%	0.243	S	C	.	.	S	Bend	trans	-129.8	149	-175.5	-116.9	165.7	15	0	0	109.6	R32	R32-Q35 HydrophobicContact CB-CB 3.76Å; R32-Q35 HydrophobicContact CG-CB 4.44Å; R32-Q35 VanDerWaalsContact NE-OE1 3.15Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.15Å; R32-Q35 PolarHBondContact O-N 3.08Å
36	G	86.4	Confident	92.4	Very high	55 Å²	55	46 Å²	46	57%	0.567	25%	0.251	S	S	*	.			trans	-61.1	179.1	178.1	0	0	0	0	0	113.1	E38	G36-E38 PolarHBondContact O-N 3.37Å
37	L	92.4	Very high	92.4	Very high	97 Å²	97	50 Å²	50	51%	0.508	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.2	173.5	-64.9	171.6	0	0	0	110.1	V29 Q31 W98	V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; L37-W98 HydrophobicContact CD1-CH2 3.99Å; L37-W98 HydrophobicContact CD1-CZ3 4.47Å; L37-W98 HydrophobicContact CD2-CZ3 4.49Å
38	E	94.8	Very high	92.3	Very high	32 Å²	32	51 Å²	51	15%	0.15	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.4	173.8	-63.2	-175.1	101.3	0	0	109.1	V29 K30 R32 G36 I40 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.33Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 3.11Å; R32-E38 IonicContact CZ-OE2 3.42Å; R32-E38 IonicContact NE-OE2 2.85Å; R32-E38 PolarHBondContact NE-OE2 2.87Å; R32-E38 IonicContact NH2-OE1 2.59Å; R32-E38 PolarHBondContact NH2-OE1 2.8Å; R32-E38 IonicContact NH2-OE2 3.69Å; R32-E38 PolarHBondContact NH2-OE2 3.04Å; G36-E38 PolarHBondContact O-N 3.37Å; E38-I40 PolarHBondContact O-N 3.48Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	94.8	Very high	92.2	Very high	82 Å²	82	55.5 Å²	55.5	31%	0.311	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.6	174	-175.9	77.5	0	0	0	110	H27 G41 N51 D53	H27-W39 AromaticContact CG-NE1 3.74Å; H27-W39 AromaticContact ND1-CE2 3.78Å; H27-W39 AromaticContact ND1-CZ2 3.81Å; H27-W39 AromaticContact ND1-NE1 3.16Å; H27-W39 PolarHBondContact ND1-NE1 3.19Å; H27-W39 VanDerWaalsContact ND1-NE1 3.16Å; W39-G41 PolarHBondContact NE1-O 3Å; W39-N51 HydrophobicContact CH2-CB 3.97Å; W39-D53 HydrophobicContact CE3-CB 3.9Å; W39-D53 HydrophobicContact CZ3-CB 4.19Å; W39-D53 VanDerWaalsContact O-CB 3.25Å; W39-D53 WeakPolarHBondContact O-CB 3.07Å
40	I	96.6	Very high	92.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-45.7	-179.6	-60.6	175.1	0	0	0	110	W28 K30 E38 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.31Å; W28-I40 PolarHBondContact O-N 3.07Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 3.48Å; I40-D53 PolarHBondContact O-N 3.14Å; I40-F56 HydrophobicContact CB-CD2 4.36Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.35Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.22Å; I40-F56 HydrophobicContact CG1-CG 4.31Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CD1 4.11Å; I40-F56 HydrophobicContact CG2-CD2 4.41Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; I40-A60 HydrophobicContact CG2-CB 3.69Å; I40-L73 HydrophobicContact CD1-CD2 3.72Å; I40-L73 HydrophobicContact CG2-CD1 4.18Å; I40-Y86 HydrophobicContact CD1-CD1 3.67Å; I40-Y86 HydrophobicContact CD1-CE1 3.68Å
41	G	96.1	Very high	92.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-179.7	-171.9	0	0	0	0	0	112.3	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.42Å; W28-G41 PolarHBondContact N-O 2.98Å; W39-G41 PolarHBondContact NE1-O 3Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.31Å
42	G	95.5	Very high	92.3	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.1	172.6	0	0	0	0	0	112.4	I26 T50 N51	I26-G42 CarbonylContact O-C 3.48Å; I26-G42 WeakPolarHBondContact O-CA 3.38Å; G42-T50 VanDerWaalsContact O-CA 3.28Å; G42-T50 WeakPolarHBondContact O-CA 3.22Å; G42-N51 PolarHBondContact N-O 2.89Å; G42-N51 PolarHBondContact O-N 3.06Å
43	I	95.8	Very high	92.6	Very high	5 Å²	5	61 Å²	61	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.1	177.5	-173.8	163.5	0	0	0	110	F25 I26 P45 N49 T50 I62 A64	F25-I43 WeakPolarHBondContact CA-O 3.42Å; I26-I43 HydrophobicContact CB-CG2 4.11Å; I26-I43 PolarHBondContact N-O 2.78Å; I26-I43 PolarHBondContact O-N 2.59Å; I43-P45 HydrophobicContact CG2-CG 4.36Å; I43-P45 WeakPolarHBondContact O-CD 3.35Å; I43-N49 CarbonylContact C-O 3.55Å; I43-N49 WeakPolarHBondContact CA-O 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.92Å; I43-T50 HydrophobicContact CD1-CG2 3.85Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-I62 HydrophobicContact CB-CG2 3.64Å; I43-I62 HydrophobicContact CD1-CG2 4.34Å; I43-I62 HydrophobicContact CG2-CG2 3.56Å; I43-A64 HydrophobicContact CD1-CB 3.9Å
44	D	95.1	Very high	93.3	Very high	24 Å²	24	60 Å²	60	13%	0.128	34%	0.34	C	S	.	.			trans	-90.2	105.6	159.7	-176.7	-18.9	0	0	0	108.3	F25 A46 N47 G48 N49	F25-D44 HydrophobicContact CD1-CB 4.12Å; F25-D44 HydrophobicContact CE1-CB 3.55Å; F25-D44 HydrophobicContact CE2-CB 4.17Å; F25-D44 HydrophobicContact CZ-CB 3.57Å; D44-A46 PolarHBondContact O-N 2.96Å; D44-A46 WeakPolarHBondContact OD1-CB 3.26Å; D44-A46 PolarHBondContact OD1-N 2.78Å; D44-N47 WeakPolarHBondContact CB-OD1 3.42Å; D44-N47 PolarHBondContact O-N 2.94Å; D44-N47 PolarHBondContact OD2-ND2 2.93Å; D44-N47 PolarHBondContact OD2-OD1 2.77Å; D44-G48 VanDerWaalsContact O-CA 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.37Å; D44-G48 PolarHBondContact O-N 2.91Å; D44-N49 HydrophobicContact CB-CB 4.38Å; D44-N49 PolarHBondContact N-O 3.32Å
45	P	94.4	Very high	93.8	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.065	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.4	-177.9	-21.5	38.4	0	0	0	113.6	I21 T24 I26 I43 A64 T66	I21-P45 HydrophobicContact CG1-CG 4.17Å; I21-P45 HydrophobicContact CG2-CB 4.18Å; I21-P45 WeakPolarHBondContact O-CG 3.46Å; T24-P45 WeakPolarHBondContact O-CD 3.05Å; I26-P45 HydrophobicContact CG1-CG 4.2Å; I43-P45 HydrophobicContact CG2-CG 4.36Å; I43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-A64 HydrophobicContact CB-CB 3.79Å; P45-A64 HydrophobicContact CG-CB 4.07Å; P45-T66 HydrophobicContact CB-CG2 4.01Å; P45-T66 WeakPolarHBondContact O-CG2 3.42Å
46	A	92.5	Very high	94.4	Very high	68 Å²	68	53.5 Å²	53.5	56%	0.562	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.6	177.8	0	0	0	0	0	112.2	D44	D44-A46 PolarHBondContact O-N 2.96Å; D44-A46 WeakPolarHBondContact OD1-CB 3.26Å; D44-A46 PolarHBondContact OD1-N 2.78Å
47	N	93.7	Very high	94.7	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-6.4	-175.7	58.4	36.8	0	0	0	114	D44 N49	D44-N47 WeakPolarHBondContact CB-OD1 3.42Å; D44-N47 PolarHBondContact O-N 2.94Å; D44-N47 PolarHBondContact OD2-ND2 2.93Å; D44-N47 PolarHBondContact OD2-OD1 2.77Å; N47-N49 VanDerWaalsContact C-N 3.31Å; N47-N49 VanDerWaalsContact CG-ND2 3.31Å; N47-N49 PolarHBondContact ND2-ND2 3.34Å; N47-N49 WeakPolarHBondContact OD1-CB 3.17Å; N47-N49 PolarHBondContact OD1-N 3.04Å; N47-N49 PolarHBondContact OD1-ND2 3.35Å; N47-N49 VanDerWaalsContact OD1-ND2 3.12Å
48	G	93.4	Very high	94.7	Very high	42 Å²	42	56.4 Å²	56.4	43%	0.433	32%	0.323	S	S	.	.			trans	79	8	179.4	0	0	0	0	0	114.7	D44 T50	D44-G48 VanDerWaalsContact O-CA 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.37Å; D44-G48 PolarHBondContact O-N 2.91Å; G48-T50 PolarHBondContact O-N 3.43Å
49	N	94.9	Very high	94.7	Very high	98 Å²	98	57.1 Å²	57.1	52%	0.524	33%	0.326	S	S	.	.			trans	-65.9	134.2	178.9	-72.4	-27.9	0	0	0	110.5	I43 D44 N47	I43-N49 CarbonylContact C-O 3.55Å; I43-N49 WeakPolarHBondContact CA-O 3.39Å; D44-N49 HydrophobicContact CB-CB 4.38Å; D44-N49 PolarHBondContact N-O 3.32Å; N47-N49 VanDerWaalsContact C-N 3.31Å; N47-N49 VanDerWaalsContact CG-ND2 3.31Å; N47-N49 PolarHBondContact ND2-ND2 3.34Å; N47-N49 WeakPolarHBondContact OD1-CB 3.17Å; N47-N49 PolarHBondContact OD1-N 3.04Å; N47-N49 PolarHBondContact OD1-ND2 3.35Å; N47-N49 VanDerWaalsContact OD1-ND2 3.12Å
50	T	96.3	Very high	94.8	Very high	52 Å²	52	53.4 Å²	53.4	32%	0.319	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.3	-178	49.7	0	0	0	0	111.5	G42 I43 G48 Y52 I62	G42-T50 VanDerWaalsContact O-CA 3.28Å; G42-T50 WeakPolarHBondContact O-CA 3.22Å; I43-T50 HydrophobicContact CB-CG2 3.92Å; I43-T50 HydrophobicContact CD1-CG2 3.85Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; G48-T50 PolarHBondContact O-N 3.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; T50-I62 HydrophobicContact CG2-CB 4.32Å
51	N	95.1	Very high	94.9	Very high	103 Å²	103	56.5 Å²	56.5	55%	0.551	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	141.5	172.7	-65.5	9.5	0	0	0	108.2	W39 G41 G42	W39-N51 HydrophobicContact CH2-CB 3.97Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.31Å; G42-N51 PolarHBondContact N-O 2.89Å; G42-N51 PolarHBondContact O-N 3.06Å
52	Y	96.8	Very high	94.9	Very high	60 Å²	60	56.8 Å²	56.8	24%	0.235	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.8	-178.6	-63.1	-89.9	0	0	0	110.4	T50 A60 I62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.33Å; Y52-A60 WeakPolarHBondContact CE1-O 3.11Å; Y52-I62 HydrophobicContact CD1-CD1 4.15Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 3.71Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.16Å
53	D	95.9	Very high	95	Very high	43 Å²	43	59.7 Å²	59.7	23%	0.23	35%	0.35	C	S	.	.			trans	-71.5	134.4	158.5	-178.5	-64	0	0	0	108.4	W39 I40 K55 F56 Q57	W39-D53 HydrophobicContact CE3-CB 3.9Å; W39-D53 HydrophobicContact CZ3-CB 4.19Å; W39-D53 VanDerWaalsContact O-CB 3.25Å; W39-D53 WeakPolarHBondContact O-CB 3.07Å; I40-D53 PolarHBondContact O-N 3.14Å; D53-K55 PolarHBondContact O-N 3.18Å; D53-K55 VanDerWaalsContact OD1-CB 3.24Å; D53-K55 WeakPolarHBondContact OD1-CB 2.95Å; D53-K55 VanDerWaalsContact OD1-CG 3.28Å; D53-K55 WeakPolarHBondContact OD1-CG 3.31Å; D53-K55 PolarHBondContact OD1-N 3.19Å; D53-F56 HydrophobicContact CB-CD2 4.05Å; D53-F56 PolarHBondContact O-N 2.81Å; D53-Q57 PolarHBondContact O-N 3.35Å
54	P	95.4	Very high	95.1	Very high	101 Å²	101	61 Å²	61	66%	0.656	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-28.7	-178.1	-29.1	35.7	0	0	0	114.7	F56 Q57	P54-F56 PolarHBondContact O-N 2.84Å; P54-Q57 PolarHBondContact O-N 2.78Å
55	K	92.6	Very high	95.1	Very high	152 Å²	152	62.5 Å²	62.5	66%	0.661	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27	177.9	-65.2	172.8	-179.6	174.2	0	113.4	D53	D53-K55 PolarHBondContact O-N 3.18Å; D53-K55 VanDerWaalsContact OD1-CB 3.24Å; D53-K55 WeakPolarHBondContact OD1-CB 2.95Å; D53-K55 VanDerWaalsContact OD1-CG 3.28Å; D53-K55 WeakPolarHBondContact OD1-CG 3.31Å; D53-K55 PolarHBondContact OD1-N 3.19Å
56	F	94.3	Very high	95.1	Very high	11 Å²	11	64.1 Å²	64.1	5%	0.048	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-4.8	-176.6	-63.1	-85.6	0	0	0	112.7	K30 E38 I40 D53 P54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CD2 4.36Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.35Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.22Å; I40-F56 HydrophobicContact CG1-CG 4.31Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CD1 4.11Å; I40-F56 HydrophobicContact CG2-CD2 4.41Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; D53-F56 HydrophobicContact CB-CD2 4.05Å; D53-F56 PolarHBondContact O-N 2.81Å; P54-F56 PolarHBondContact O-N 2.84Å; F56-G58 PolarHBondContact O-N 2.9Å; F56-K59 PolarHBondContact O-N 3.35Å; F56-A60 HydrophobicContact CB-CB 4.13Å; F56-A60 PolarHBondContact O-N 2.82Å
57	Q	92.9	Very high	95.2	Very high	140 Å²	140	66 Å²	66	65%	0.654	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-62.3	127.1	177.8	-164.6	166.3	-1.4	0	0	110.3	D53 P54 K59	D53-Q57 PolarHBondContact O-N 3.35Å; P54-Q57 PolarHBondContact O-N 2.78Å; Q57-K59 VanDerWaalsContact C-N 3.27Å; Q57-K59 PolarHBondContact O-N 2.83Å
58	G	91.7	Very high	95.3	Very high	73 Å²	73	64.1 Å²	64.1	75%	0.753	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-17.1	-175.2	0	0	0	0	0	115.1	F56	F56-G58 PolarHBondContact O-N 2.9Å
59	K	94.9	Very high	95.3	Very high	48 Å²	48	63.6 Å²	63.6	21%	0.209	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-36.4	174.6	-171.3	167.2	-168.2	174.5	0	112.9	F56 Q57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.35Å; Q57-K59 VanDerWaalsContact C-N 3.27Å; Q57-K59 PolarHBondContact O-N 2.83Å; K59-L75 WeakPolarHBondContact O-CA 3.28Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 PolarHBondContact O-OG 2.89Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.27Å; K59-D82 IonicContact NZ-OD1 2.92Å; K59-D82 PolarHBondContact NZ-OD1 3.48Å; K59-D82 IonicContact NZ-OD2 2.77Å; K59-D82 PolarHBondContact NZ-OD2 3.46Å
60	A	97.1	Very high	95.4	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.6	178.9	0	0	0	0	0	111.1	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.69Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.33Å; Y52-A60 WeakPolarHBondContact CE1-O 3.11Å; F56-A60 HydrophobicContact CB-CB 4.13Å; F56-A60 PolarHBondContact O-N 2.82Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; A60-Q74 CarbonylContact C-O 3.46Å; A60-Q74 WeakPolarHBondContact CA-O 3.17Å; A60-L75 HydrophobicContact CB-CD2 4.01Å
61	T	97.8	Very high	95.4	Very high	65 Å²	65	56.9 Å²	56.9	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.1	167.8	-57.8	0	0	0	0	108.4	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.25Å; T61-Q74 PolarHBondContact N-O 3.15Å; T61-Q74 PolarHBondContact O-N 3.49Å
62	I	97.8	Very high	95.5	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.5	178.5	-59	166.4	0	0	0	108.8	I43 T50 Y52 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.64Å; I43-I62 HydrophobicContact CD1-CG2 4.34Å; I43-I62 HydrophobicContact CG2-CG2 3.56Å; T50-I62 HydrophobicContact CG2-CB 4.32Å; Y52-I62 HydrophobicContact CD1-CD1 4.15Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 3.71Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.16Å; I62-Y72 WeakPolarHBondContact CA-O 3.5Å; I62-L73 HydrophobicContact CG1-CD1 3.87Å
63	T	97.3	Very high	95.6	Very high	62 Å²	62	51.3 Å²	51.3	38%	0.38	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	165.1	175.9	55.7	0	0	0	0	110.3	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.25Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.89Å
64	A	96.7	Very high	95.7	Very high	33 Å²	33	53.5 Å²	53.5	27%	0.273	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.9	173.7	0	0	0	0	0	110.4	I43 P45	I43-A64 HydrophobicContact CD1-CB 3.9Å; P45-A64 HydrophobicContact CB-CB 3.79Å; P45-A64 HydrophobicContact CG-CB 4.07Å
65	D	95.9	Very high	95.7	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.6	168.1	175.8	9.5	0	0	0	108.6	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 3.37Å; D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 PolarHBondContact O-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 2.99Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 3.38Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-N69 VanDerWaalsContact O-N 3.07Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.93Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	T	94.4	Very high	95.9	Very high	44 Å²	44	43.1 Å²	43.1	27%	0.27	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.8	-176.2	64.1	0	0	0	0	112.9	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.4Å; K22-T66 HydrophobicContact CD-CG2 4.07Å; K22-T66 VanDerWaalsContact CE-CG2 3.49Å; K22-T66 WeakPolarHBondContact CE-OG1 3.4Å; K22-T66 HydrophobicContact CG-CG2 3.41Å; K22-T66 VanDerWaalsContact CG-CG2 3.41Å; P45-T66 HydrophobicContact CB-CG2 4.01Å; P45-T66 WeakPolarHBondContact O-CG2 3.42Å
67	S	94.1	Very high	95.9	Very high	109 Å²	109	46.5 Å²	46.5	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-36.2	174.8	72.4	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 3.37Å
68	S	95.6	Very high	96	Very high	46 Å²	46	39.9 Å²	39.9	32%	0.322	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	7.6	174.5	62.4	0	0	0	0	113.5	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 PolarHBondContact O-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 2.99Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 3.38Å; S68-T70 PolarHBondContact O-N 3.21Å; S68-T70 VanDerWaalsContact O-N 3.15Å; S68-T70 PolarHBondContact O-OG1 3.39Å
69	N	94.9	Very high	96.1	Very high	31 Å²	31	39 Å²	39	17%	0.166	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	36.4	-178.8	-154.2	42.3	0	0	0	113.7	G16 F19 I21 D65	G16-N69 VanDerWaalsContact C-ND2 3.32Å; G16-N69 PolarHBondContact N-O 3.09Å; G16-N69 PolarHBondContact O-ND2 3.4Å; F19-N69 PolarHBondContact O-ND2 3.04Å; I21-N69 VanDerWaalsContact CB-OD1 3.26Å; I21-N69 WeakPolarHBondContact CB-OD1 3.44Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.4Å; I21-N69 PolarHBondContact N-OD1 3.46Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-N69 VanDerWaalsContact O-N 3.07Å
70	T	96.4	Very high	95.9	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.8	-168.4	-60.8	0	0	0	0	112	C14 T15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; T15-T70 PolarHBondContact OG1-OG1 2.75Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.93Å; S68-T70 PolarHBondContact O-N 3.21Å; S68-T70 VanDerWaalsContact O-N 3.15Å; S68-T70 PolarHBondContact O-OG1 3.39Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CE1 3.52Å; T70-Y72 HydrophobicContact CG2-CE2 3.96Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.4Å
71	A	96.3	Very high	95.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.9	168.4	0	0	0	0	0	110.4	S13 C14 I21 I26 T63	S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 3.39Å; C14-A71 PolarHBondContact N-O 2.7Å; C14-A71 PolarHBondContact O-N 2.92Å; I21-A71 HydrophobicContact CD1-CB 3.73Å; I26-A71 HydrophobicContact CB-CB 4.26Å; I26-A71 HydrophobicContact CG1-CB 4.43Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	97.6	Very high	95.4	Very high	47 Å²	47	43.9 Å²	43.9	18%	0.184	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.3	-178.4	-56.4	-80.3	0	0	0	111.4	K11 L12 I62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 HydrophobicContact CG-CD1 4.3Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.4Å; I62-Y72 WeakPolarHBondContact CA-O 3.5Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CE1 3.52Å; T70-Y72 HydrophobicContact CG2-CE2 3.96Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.4Å
73	L	98	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.6	168.4	171.1	67.3	0	0	0	108.2	L12 W28 I40 A60 I62 L75 Y86	L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.85Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.89Å; W28-L73 HydrophobicContact CD2-CG 4.24Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.77Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.38Å; W28-L73 HydrophobicContact CG-CB 3.96Å; W28-L73 HydrophobicContact CG-CD1 4.49Å; W28-L73 HydrophobicContact CG-CD2 4.08Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 4.02Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 4.02Å; W28-L73 HydrophobicContact CZ3-CD2 4.36Å; I40-L73 HydrophobicContact CD1-CD2 3.72Å; I40-L73 HydrophobicContact CG2-CD1 4.18Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; I62-L73 HydrophobicContact CG1-CD1 3.87Å; L73-L75 HydrophobicContact CD1-CD2 4.11Å; L73-L75 HydrophobicContact CD1-CG 4.47Å; L73-L75 HydrophobicContact CD2-CD1 4.31Å; L73-L75 HydrophobicContact CD2-CD2 4.27Å; L73-L75 HydrophobicContact CD2-CG 4.25Å; L73-L75 HydrophobicContact CG-CD2 4.21Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L73-Y86 HydrophobicContact CD2-CD1 3.9Å; L73-Y86 HydrophobicContact CD2-CE1 4.42Å
74	Q	97.7	Very high	95.1	Very high	88 Å²	88	43.1 Å²	43.1	41%	0.411	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.4	170.7	-175.4	171.7	12.2	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; A60-Q74 CarbonylContact C-O 3.46Å; A60-Q74 WeakPolarHBondContact CA-O 3.17Å; T61-Q74 PolarHBondContact N-O 3.15Å; T61-Q74 PolarHBondContact O-N 3.49Å
75	L	96.9	Very high	95.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.2	174.1	-61.5	165.4	0	0	0	108.4	S9 V10 K59 A60 L73 L78 Y86 L104	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3Å; S9-L75 WeakPolarHBondContact CB-O 2.93Å; V10-L75 HydrophobicContact CG1-CB 3.89Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 2.82Å; V10-L75 PolarHBondContact O-N 2.95Å; K59-L75 WeakPolarHBondContact O-CA 3.28Å; A60-L75 HydrophobicContact CB-CD2 4.01Å; L73-L75 HydrophobicContact CD1-CD2 4.11Å; L73-L75 HydrophobicContact CD1-CG 4.47Å; L73-L75 HydrophobicContact CD2-CD1 4.31Å; L73-L75 HydrophobicContact CD2-CD2 4.27Å; L73-L75 HydrophobicContact CD2-CG 4.25Å; L73-L75 HydrophobicContact CG-CD2 4.21Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.29Å; L75-L104 HydrophobicContact CD1-CD2 4.09Å
76	S	95.9	Very high	95.2	Very high	35 Å²	35	40.6 Å²	40.6	25%	0.245	24%	0.242	C	C	.	.			trans	-106	157.9	179.2	58.4	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 2.98Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 PolarHBondContact O-OG 2.89Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.81Å
77	S	94.6	Very high	95.3	Very high	81 Å²	81	40.7 Å²	40.7	57%	0.566	24%	0.238	S	C	*	.	S	Bend	trans	50.7	51.1	171.2	-60.2	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 3.39Å
78	L	94.9	Very high	95.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.206	C	C	.	.			trans	-61.9	140.8	-172.9	-69.8	172.7	0	0	0	112.7	V4 P6 G7 A8 V10 L75 S76 D82 L104 V106	V4-L78 HydrophobicContact CB-CD1 4.45Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 2.99Å; G7-L78 PolarHBondContact N-O 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.23Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.99Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.44Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.32Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; L78-L104 HydrophobicContact CD1-CD2 4.18Å; L78-L104 HydrophobicContact CD2-CD2 4.03Å; L78-V106 HydrophobicContact CB-CG1 4.18Å; L78-V106 HydrophobicContact CB-CG2 4.02Å; L78-V106 HydrophobicContact CD1-CG2 4.33Å
79	T	93.6	Very high	95.1	Very high	54 Å²	54	34.1 Å²	34.1	33%	0.331	19%	0.192	S	C	.	.			trans	-121	169.1	175.4	66.5	0	0	0	0	110.1	E81 D82 V106	T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; T79-V106 VanDerWaalsContact O-CB 3.3Å; T79-V106 WeakPolarHBondContact O-CB 2.91Å; T79-V106 WeakPolarHBondContact O-CG1 3.35Å; T79-V106 WeakPolarHBondContact O-CG2 3.37Å
80	S	91.4	Very high	94.8	Very high	86 Å²	86	34.6 Å²	34.6	60%	0.601	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.6	-31.2	175.8	48.2	0	0	0	0	112.6	D82 T83	S80-D82 PolarHBondContact O-N 2.98Å; S80-T83 VanDerWaalsContact O-CB 3.27Å; S80-T83 WeakPolarHBondContact O-CB 3.49Å; S80-T83 PolarHBondContact O-N 2.89Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.84Å; S80-T83 VanDerWaalsContact O-OG1 3.04Å
81	E	90.1	Very high	93.8	Very high	130 Å²	130	38.4 Å²	38.4	61%	0.607	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-66.6	-17	177.5	-59.5	-177.7	173.6	0	0	113.8	K30 T79	K30-E81 PolarHBondContact NZ-O 3Å; T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.13Å
82	D	93.1	Very high	92.3	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-82.5	-2.3	173.9	-58.1	-49	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86 V106	K30-D82 IonicContact NZ-OD1 3.17Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.27Å; K59-D82 IonicContact NZ-OD1 2.92Å; K59-D82 PolarHBondContact NZ-OD1 3.48Å; K59-D82 IonicContact NZ-OD2 2.77Å; K59-D82 PolarHBondContact NZ-OD2 3.46Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.32Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 2.8Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 2.8Å; D82-V106 HydrophobicContact CB-CG2 4.14Å
83	T	94.6	Very high	90.3	Very high	48 Å²	48	47.3 Å²	47.3	29%	0.294	25%	0.253	S	S	.	.			trans	-65.2	111	172	-61.4	0	0	0	0	109.6	S80 L104 T105 V106	S80-T83 VanDerWaalsContact O-CB 3.27Å; S80-T83 WeakPolarHBondContact O-CB 3.49Å; S80-T83 PolarHBondContact O-N 2.89Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.84Å; S80-T83 VanDerWaalsContact O-OG1 3.04Å; T83-L104 VanDerWaalsContact CA-O 3.32Å; T83-L104 WeakPolarHBondContact CA-O 3.4Å; T83-T105 HydrophobicContact CG2-CG2 4.34Å; T83-V106 PolarHBondContact OG1-N 3.32Å
84	A	95.6	Very high	88.4	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.033	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	170.9	-171.4	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L104	K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; R32-A84 HydrophobicContact CG-CB 4.17Å; D82-A84 PolarHBondContact O-N 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-L104 PolarHBondContact N-O 2.62Å; A84-L104 VanDerWaalsContact N-O 3.08Å; A84-L104 PolarHBondContact O-N 2.84Å
85	V	96.4	Very high	86.8	Confident	33 Å²	33	55.2 Å²	55.2	20%	0.2	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.9	162.7	-169.7	0	0	0	0	108.6	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.33Å; Q31-V85 PolarHBondContact O-N 3.43Å; 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 3.52Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.47Å
86	Y	96.9	Very high	85.5	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.2	179.7	-71.7	-96.7	0	0	0	109.8	L12 V29 K30 I40 L73 L75 D82 A84 G101 T102 L104	L12-Y86 VanDerWaalsContact CD1-CB 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 WeakPolarHBondContact O-CA 3.3Å; K30-Y86 HydrophobicContact CB-CD1 4.32Å; K30-Y86 HydrophobicContact CB-CE1 4.05Å; K30-Y86 HydrophobicContact CD-CE1 4.19Å; K30-Y86 HydrophobicContact CG-CE1 3.95Å; I40-Y86 HydrophobicContact CD1-CD1 3.67Å; I40-Y86 HydrophobicContact CD1-CE1 3.68Å; L73-Y86 HydrophobicContact CD2-CD1 3.9Å; L73-Y86 HydrophobicContact CD2-CE1 4.42Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 VanDerWaalsContact O-CA 3.26Å; Y86-G101 WeakPolarHBondContact O-CA 3.25Å; Y86-T102 PolarHBondContact N-O 3.15Å; Y86-T102 PolarHBondContact O-N 2.76Å; Y86-L104 HydrophobicContact CD2-CB 3.82Å; Y86-L104 HydrophobicContact CD2-CD2 4.32Å; Y86-L104 HydrophobicContact CE2-CB 3.73Å; Y86-L104 HydrophobicContact CE2-CD2 3.68Å; Y86-L104 HydrophobicContact CE2-CG 4.33Å
87	Y	95.9	Very high	84.9	Confident	46 Å²	46	64.5 Å²	64.5	18%	0.18	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.8	179.8	-61.5	-85.9	0	0	0	110.2	W28 V29 Q31 V85 W98 G99 G101	W28-Y87 WeakPolarHBondContact CA-O 3.49Å; V29-Y87 PolarHBondContact N-O 2.78Å; V29-Y87 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 3.41Å; 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 3.52Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.47Å; Y87-W98 HydrophobicContact CD1-CE3 4.4Å; Y87-W98 HydrophobicContact CG-CE3 4.02Å; Y87-W98 HydrophobicContact CG-CZ3 4.28Å; Y87-G99 WeakPolarHBondContact CD1-O 3.2Å; Y87-G101 VanDerWaalsContact CD1-CA 3.41Å
88	C	94.6	Very high	84.6	Confident	15 Å²	15	65.9 Å²	65.9	10%	0.101	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	145.4	157	59.6	0	0	0	0	109	C14 I26 H27 W28 G99	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.26Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.92Å; I26-C88 HydrophobicContact CG2-CB 4.41Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; W28-C88 HydrophobicContact CD2-CB 4.35Å; W28-C88 HydrophobicContact CE3-CB 4.19Å; W28-C88 HydrophobicContact CH2-CB 4.23Å; W28-C88 HydrophobicContact CZ2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å; C88-G99 PolarHBondContact O-N 3.38Å
89	A	92.4	Very high	84.5	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.017	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.6	175.8	0	0	0	0	0	110.1	H27 F95 Y97 W98	H27-A89 PolarHBondContact N-O 3.12Å; H27-A89 PolarHBondContact O-N 2.77Å; A89-F95 HydrophobicContact CB-CD1 3.9Å; A89-F95 HydrophobicContact CB-CE1 4.46Å; A89-Y97 CarbonylContact C-O 3.36Å; A89-Y97 VanDerWaalsContact CA-O 3.28Å; A89-Y97 WeakPolarHBondContact CA-O 3.17Å; A89-W98 HydrophobicContact CB-CD2 3.83Å; A89-W98 HydrophobicContact CB-CE3 4.15Å; A89-W98 HydrophobicContact CB-CG 4.19Å; A89-W98 HydrophobicContact CB-CZ2 4.23Å; A89-W98 HydrophobicContact CB-CZ3 4.5Å
90	R	88.2	Confident	84.4	Confident	41 Å²	41	73.5 Å²	73.5	16%	0.155	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.6	175.4	-170.4	179.9	90.8	-155.5	3.5	109.3	F19 T24 I26 D92 F95 Y97	F19-R90 VanDerWaalsContact CE2-CD 3.48Å; F19-R90 HydrophobicContact CE2-CG 4.31Å; F19-R90 VanDerWaalsContact CG-NH1 3.3Å; F19-R90 HydrophobicContact CZ-CG 4.48Å; T24-R90 HydrophobicContact CG2-CG 3.71Å; T24-R90 WeakPolarHBondContact OG1-CG 3.37Å; I26-R90 HydrophobicContact CD1-CB 4.26Å; I26-R90 HydrophobicContact CD1-CG 4.11Å; R90-D92 IonicContact CZ-OD2 2.7Å; R90-D92 IonicContact NE-OD1 2.75Å; R90-D92 IonicContact NE-OD2 3.17Å; R90-D92 PolarHBondContact NE-OD2 2.84Å; R90-D92 IonicContact NH2-OD2 3.96Å; R90-D92 PolarHBondContact NH2-OD2 2.81Å; R90-F95 CarbonylContact O-C 3.57Å; R90-F95 WeakPolarHBondContact O-CA 3.03Å; R90-Y97 PolarHBondContact N-O 3.18Å
91	K	74.9	Confident	84.5	Confident	87 Å²	87	70.7 Å²	70.7	38%	0.378	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	103.6	170.6	-173.6	-177.4	178.5	-177.2	0	110.1	T24 F25 F95	T24-K91 PolarHBondContact OG1-O 2.91Å; F25-K91 HydrophobicContact CB-CB 4.49Å; F25-K91 PolarHBondContact N-O 3.26Å; F25-K91 PolarHBondContact O-N 3.48Å; K91-F95 HydrophobicContact CB-CD1 4.23Å; K91-F95 HydrophobicContact CB-CE1 4.36Å; K91-F95 HydrophobicContact CB-CG 4.49Å; K91-F95 HydrophobicContact CD-CD2 4.3Å; K91-F95 HydrophobicContact CD-CE2 3.99Å; K91-F95 HydrophobicContact CD-CZ 4.19Å
92	D	64.1	Low	84.7	Confident	81 Å²	81	66.7 Å²	66.7	43%	0.433	32%	0.321	S	S	.	.	S	Bend	trans	-84.1	-64.4	158.4	-71.3	-38.3	0	0	0	108.5	R90	R90-D92 IonicContact CZ-OD2 2.7Å; R90-D92 IonicContact NE-OD1 2.75Å; R90-D92 IonicContact NE-OD2 3.17Å; R90-D92 PolarHBondContact NE-OD2 2.84Å; R90-D92 IonicContact NH2-OD2 3.96Å; R90-D92 PolarHBondContact NH2-OD2 2.81Å
93	E	56.8	Low	84.8	Confident	154 Å²	154	69.5 Å²	69.5	72%	0.72	34%	0.338	S	S	*	.	S	Bend	trans	-131.1	-29.8	176.7	-67.1	-170.4	161.8	0	0	114.5
94	Y	57.9	Low	84.8	Confident	187 Å²	187	67.2 Å²	67.2	73%	0.733	32%	0.324	S	S	*	.	S	Bend	trans	-140.7	32.9	-175.7	-74.4	-84.4	0	0	0	117.2	D96	Y94-D96 VanDerWaalsContact C-N 3.26Å; Y94-D96 WeakPolarHBondContact CB-OD1 3.34Å; Y94-D96 PolarHBondContact N-OD2 2.78Å; Y94-D96 VanDerWaalsContact N-OD2 3.14Å; Y94-D96 PolarHBondContact O-N 2.87Å
95	F	63.3	Low	84.8	Confident	67 Å²	67	69.6 Å²	69.6	29%	0.294	34%	0.338	S	S	.	.			trans	52.8	43.3	-175.8	-73.7	-81.6	0	0	0	112.8	H27 A89 R90 K91 Y97 W98	H27-F95 HydrophobicContact CB-CE1 3.66Å; H27-F95 HydrophobicContact CB-CZ 4.44Å; H27-F95 AromaticContact CD2-CE1 3.17Å; H27-F95 WeakPolarHBondContact CD2-CE1 3.21Å; H27-F95 AromaticContact CD2-CZ 3.64Å; H27-F95 AromaticContact CG-CE1 3.42Å; H27-F95 VanDerWaalsContact CG-CE1 3.42Å; H27-F95 AromaticContact CG-CZ 3.88Å; H27-F95 AromaticContact NE2-CE1 3.86Å; H27-F95 AromaticContact NE2-CZ 3.85Å; A89-F95 HydrophobicContact CB-CD1 3.9Å; A89-F95 HydrophobicContact CB-CE1 4.46Å; R90-F95 CarbonylContact O-C 3.57Å; R90-F95 WeakPolarHBondContact O-CA 3.03Å; K91-F95 HydrophobicContact CB-CD1 4.23Å; K91-F95 HydrophobicContact CB-CE1 4.36Å; K91-F95 HydrophobicContact CB-CG 4.49Å; K91-F95 HydrophobicContact CD-CD2 4.3Å; K91-F95 HydrophobicContact CD-CE2 3.99Å; K91-F95 HydrophobicContact CD-CZ 4.19Å; F95-Y97 PolarHBondContact O-N 3.09Å; F95-W98 PolarHBondContact O-NE1 3.12Å
96	D	69.8	Low	84.5	Confident	87 Å²	87	68.3 Å²	68.3	47%	0.465	33%	0.331	S	S	.	.			trans	-71	-17.3	-164.8	-55.8	-66.5	0	0	0	114	Y94	Y94-D96 VanDerWaalsContact C-N 3.26Å; Y94-D96 WeakPolarHBondContact CB-OD1 3.34Å; Y94-D96 PolarHBondContact N-OD2 2.78Å; Y94-D96 VanDerWaalsContact N-OD2 3.14Å; Y94-D96 PolarHBondContact O-N 2.87Å
97	Y	82.9	Confident	84.2	Confident	144 Å²	144	70.2 Å²	70.2	57%	0.565	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.6	-175.7	-62.6	-82.3	0	0	0	112.4	A89 R90 F95	A89-Y97 CarbonylContact C-O 3.36Å; A89-Y97 VanDerWaalsContact CA-O 3.28Å; A89-Y97 WeakPolarHBondContact CA-O 3.17Å; R90-Y97 PolarHBondContact N-O 3.18Å; F95-Y97 PolarHBondContact O-N 3.09Å
98	W	90.3	Very high	83.4	Confident	110 Å²	110	73.1 Å²	73.1	42%	0.417	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140	176.2	-68.8	67	0	0	0	110	V29 L37 Y87 A89 F95	V29-W98 HydrophobicContact CB-CH2 4.04Å; V29-W98 HydrophobicContact CB-CZ3 3.77Å; V29-W98 HydrophobicContact CG1-CH2 3.97Å; V29-W98 HydrophobicContact CG1-CZ3 3.92Å; V29-W98 HydrophobicContact CG2-CH2 3.73Å; V29-W98 HydrophobicContact CG2-CZ3 3.87Å; L37-W98 HydrophobicContact CD1-CH2 3.99Å; L37-W98 HydrophobicContact CD1-CZ3 4.47Å; L37-W98 HydrophobicContact CD2-CZ3 4.49Å; Y87-W98 HydrophobicContact CD1-CE3 4.4Å; Y87-W98 HydrophobicContact CG-CE3 4.02Å; Y87-W98 HydrophobicContact CG-CZ3 4.28Å; A89-W98 HydrophobicContact CB-CD2 3.83Å; A89-W98 HydrophobicContact CB-CE3 4.15Å; A89-W98 HydrophobicContact CB-CG 4.19Å; A89-W98 HydrophobicContact CB-CZ2 4.23Å; A89-W98 HydrophobicContact CB-CZ3 4.5Å; F95-W98 PolarHBondContact O-NE1 3.12Å
99	G	90.9	Very high	82.1	Confident	28 Å²	28	75.7 Å²	75.7	29%	0.289	39%	0.393	S	S	.	.			trans	-66	164.6	167.8	0	0	0	0	0	111.3	Y87 C88 G101	Y87-G99 WeakPolarHBondContact CD1-O 3.2Å; C88-G99 PolarHBondContact O-N 3.38Å; G99-G101 PolarHBondContact O-N 2.91Å
100	Q	92.1	Very high	80.3	Confident	187 Å²	187	85 Å²	85	87%	0.874	43%	0.434	S	S	*	.			trans	-62.2	-17	179	-65.8	-63.8	-28.4	0	0	113.7
101	G	93.3	Very high	78.5	Confident	26 Å²	26	92.4 Å²	92.4	27%	0.268	48%	0.483	S	S	.	.			trans	82.6	150	-176.9	0	0	0	0	0	112.5	Y86 Y87 G99	Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 VanDerWaalsContact O-CA 3.26Å; Y86-G101 WeakPolarHBondContact O-CA 3.25Å; Y87-G101 VanDerWaalsContact CD1-CA 3.41Å; G99-G101 PolarHBondContact O-N 2.91Å
102	T	95.3	Very high	78.7	Confident	47 Å²	47	92.7 Å²	92.7	29%	0.288	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.5	175.4	-62.7	0	0	0	0	109	L12 Y86 L104	L12-T102 HydrophobicContact CD2-CG2 3.95Å; Y86-T102 PolarHBondContact N-O 3.15Å; Y86-T102 PolarHBondContact O-N 2.76Å; T102-L104 PolarHBondContact O-N 3.07Å
103	T	95.5	Very high	79.5	Confident	63 Å²	63	93.3 Å²	93.3	39%	0.387	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.9	171.1	-46.7	0	0	0	0	109.7	A1 E2	A1-T103 CarbonylContact C-O 3.59Å; A1-T103 WeakPolarHBondContact CA-O 3.38Å; E2-T103 PolarHBondContact N-O 2.78Å
104	L	94.3	Very high	80.7	Confident	0 Å²	0	89.9 Å²	89.9	0%	0	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.2	169.7	-179.2	66.6	0	0	0	108.3	E2 V4 V10 L75 L78 T83 A84 Y86 T102 V106	E2-L104 HydrophobicContact CB-CD1 4.02Å; E2-L104 HydrophobicContact CG-CD1 4.39Å; E2-L104 CarbonylContact O-C 3.53Å; E2-L104 WeakPolarHBondContact O-CA 3.46Å; V4-L104 HydrophobicContact CG1-CD1 4.31Å; V4-L104 HydrophobicContact CG2-CD1 3.88Å; V10-L104 HydrophobicContact CB-CD1 4.45Å; V10-L104 HydrophobicContact CG1-CD1 4.21Å; V10-L104 HydrophobicContact CG1-CD2 3.9Å; V10-L104 HydrophobicContact CG2-CD1 4.32Å; L75-L104 HydrophobicContact CD1-CD2 4.09Å; L78-L104 HydrophobicContact CD1-CD2 4.18Å; L78-L104 HydrophobicContact CD2-CD2 4.03Å; T83-L104 VanDerWaalsContact CA-O 3.32Å; T83-L104 WeakPolarHBondContact CA-O 3.4Å; A84-L104 PolarHBondContact N-O 2.62Å; A84-L104 VanDerWaalsContact N-O 3.08Å; A84-L104 PolarHBondContact O-N 2.84Å; Y86-L104 HydrophobicContact CD2-CB 3.82Å; Y86-L104 HydrophobicContact CD2-CD2 4.32Å; Y86-L104 HydrophobicContact CE2-CB 3.73Å; Y86-L104 HydrophobicContact CE2-CD2 3.68Å; Y86-L104 HydrophobicContact CE2-CG 4.33Å; T102-L104 PolarHBondContact O-N 3.07Å; L104-V106 HydrophobicContact CG-CG2 4.43Å
105	T	94.2	Very high	82.1	Confident	53 Å²	53	84.2 Å²	84.2	33%	0.325	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124	176.4	-56.7	0	0	0	0	109.3	E2 L3 V4 T83	E2-T105 PolarHBondContact O-N 3.47Å; L3-T105 WeakPolarHBondContact CA-O 3.27Å; L3-T105 HydrophobicContact CD1-CG2 3.73Å; V4-T105 PolarHBondContact N-O 3.49Å; T83-T105 HydrophobicContact CG2-CG2 4.34Å
106	V	91.5	Very high	83.2	Confident	7 Å²	7	85.3 Å²	85.3	4%	0.042	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107.7	178.2	-170.5	0	0	0	0	108.6	V4 P6 L78 T79 D82 T83 L104	V4-V106 HydrophobicContact CG2-CB 4.41Å; V4-V106 HydrophobicContact CG2-CG1 4.44Å; V4-V106 HydrophobicContact CG2-CG2 3.84Å; V4-V106 WeakPolarHBondContact O-CA 3.36Å; P6-V106 HydrophobicContact CB-CG1 4.39Å; P6-V106 HydrophobicContact CG-CG1 4.12Å; L78-V106 HydrophobicContact CB-CG1 4.18Å; L78-V106 HydrophobicContact CB-CG2 4.02Å; L78-V106 HydrophobicContact CD1-CG2 4.33Å; T79-V106 VanDerWaalsContact O-CB 3.3Å; T79-V106 WeakPolarHBondContact O-CB 2.91Å; T79-V106 WeakPolarHBondContact O-CG1 3.35Å; T79-V106 WeakPolarHBondContact O-CG2 3.37Å; D82-V106 HydrophobicContact CB-CG2 4.14Å; T83-V106 PolarHBondContact OG1-N 3.32Å; L104-V106 HydrophobicContact CG-CG2 4.43Å
107	S	89.3	Confident	84.1	Confident	43 Å²	43	85.1 Å²	85.1	30%	0.301	48%	0.475	S	S	.	.			trans	-140.6	140.4	-176.1	-175	0	0	0	0	112	V4 A109	V4-S107 PolarHBondContact O-N 3.48Å; S107-A109 VanDerWaalsContact C-N 3.3Å; S107-A109 WeakPolarHBondContact OG-CB 3.39Å; S107-A109 PolarHBondContact OG-N 2.92Å; S107-A109 VanDerWaalsContact OG-N 3.11Å
108	S	79.6	Confident	84.2	Confident	107 Å²	107	80.9 Å²	80.9	75%	0.748	47%	0.469	S	S	*	.			trans	-82.5	-9.5	170.1	54.9	0	0	0	0	112.7	K110	S108-K110 PolarHBondContact O-N 2.62Å
109	A	68.4	Low	83.7	Confident	68 Å²	68	78.7 Å²	78.7	56%	0.562	47%	0.473	S	S	*	.			trans	-64.9	127.9	179.4	0	0	0	0	0	110.3	S107	S107-A109 VanDerWaalsContact C-N 3.3Å; S107-A109 WeakPolarHBondContact OG-CB 3.39Å; S107-A109 PolarHBondContact OG-N 2.92Å; S107-A109 VanDerWaalsContact OG-N 3.11Å
110	K	53.8	Low	83.1	Confident	199 Å²	199	82.9 Å²	82.9	87%	0.865	49%	0.488	S	S	*	.			trans	-74.4	123.6	162.1	-71.1	178.2	177.6	178.7	0	106.8	S108	S108-K110 PolarHBondContact O-N 2.62Å
111	T	50.6	Low	82.3	Confident	195 Å²	195	73.5 Å²	73.5	100%	1.196	45%	0.453	S	S	*	.			trans	-55.7	0	158.5	36.3	0	0	0	0	110.4

Retrieved 111 of 111 residues in 27.4 ms (Link to these results)

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