X5J5F5_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J5F5_MOUSE|X5J5F5
AELVKPGASVKLSCTGSGFNIKDTFIHWVKQRPEQGLEWIGYINPSTGYTEYNQKFKDMATLTADKPSSTAYMQLSSLTSEDSAVYYCAEDYGWHFDVWGAGTTVTVSS
					

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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	84.4	Confident	94.8	Very high	108 Å²	108	77.1 Å²	77.1	89%	0.893	46%	0.464	S	S	*	.				0	138.5	0	0	0	0	0	0	107.6	T104	A1-T104 CarbonylContact C-O 3.51Å; A1-T104 WeakPolarHBondContact CA-O 3.37Å
2	E	92.2	Very high	95	Very high	91 Å²	91	71.2 Å²	71.2	43%	0.425	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128	-173.3	-68.2	-67	154.2	0	0	109.3	V10 L12 T103 T104 V105 T106	E2-V10 HydrophobicContact CB-CG2 3.98Å; E2-V10 HydrophobicContact CG-CG2 3.77Å; E2-L12 HydrophobicContact CG-CD2 4.32Å; E2-T103 HydrophobicContact CG-CG2 4.33Å; E2-T104 PolarHBondContact N-O 3.14Å; E2-V105 HydrophobicContact CB-CG2 4.27Å; E2-V105 CarbonylContact O-C 3.37Å; E2-V105 WeakPolarHBondContact O-CA 3.41Å; E2-T106 PolarHBondContact O-N 3.3Å
3	L	95.1	Very high	95	Very high	125 Å²	125	71.2 Å²	71.2	65%	0.654	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	117.9	174	-178.8	65.8	0	0	0	108.6	T106 S108	L3-T106 WeakPolarHBondContact CA-O 3.4Å; L3-T106 HydrophobicContact CD1-CG2 3.79Å; L3-S108 WeakPolarHBondContact CD1-OG 3.3Å
4	V	95.9	Very high	94.8	Very high	21 Å²	21	66.6 Å²	66.6	13%	0.127	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.6	-173.7	-60	0	0	0	0	111.5	A8 L78 V105 T106 V107 S108	V4-A8 HydrophobicContact CB-CB 4.13Å; V4-L78 HydrophobicContact CG2-CD1 3.78Å; V4-V105 HydrophobicContact CG2-CG1 4.27Å; V4-T106 PolarHBondContact N-O 2.54Å; V4-V107 HydrophobicContact CG2-CB 4.35Å; V4-V107 HydrophobicContact CG2-CG1 4.39Å; V4-V107 HydrophobicContact CG2-CG2 3.79Å; V4-V107 WeakPolarHBondContact O-CA 2.79Å; V4-S108 PolarHBondContact O-N 2.82Å
5	K	95.9	Very high	94.5	Very high	142 Å²	142	67.9 Å²	67.9	62%	0.617	41%	0.414	S	S	*	.			trans	-83.9	154.1	174.7	-67.7	-176.3	177	-176	0	110.9	G7 A8	K5-G7 PolarHBondContact O-N 3.46Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.09Å; K5-A8 VanDerWaalsContact O-N 3.09Å
6	P	96.6	Very high	93.6	Very high	75 Å²	75	64.3 Å²	64.3	49%	0.487	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.8	170.5	-25.6	34.3	0	0	0	112.1	A8 L78 V107	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.18Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; P6-V107 HydrophobicContact CB-CG1 4.44Å; P6-V107 HydrophobicContact CG-CG1 4.19Å
7	G	94.9	Very high	92.4	Very high	56 Å²	56	65.5 Å²	65.5	58%	0.577	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-8.1	-175.8	0	0	0	0	0	114.9	K5 L78	K5-G7 PolarHBondContact O-N 3.46Å; G7-L78 PolarHBondContact N-O 2.86Å
8	A	96	Very high	91.1	Very high	34 Å²	34	66.9 Å²	66.9	28%	0.281	44%	0.436	S	S	.	.			trans	-72.3	166.3	176.5	0	0	0	0	0	112.1	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.13Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.09Å; K5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.18Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.46Å; A8-L78 PolarHBondContact O-N 2.81Å
9	S	96.8	Very high	89.9	Confident	66 Å²	66	66.4 Å²	66.4	46%	0.462	43%	0.426	S	S	.	.			trans	-113.1	148	170.4	-57.6	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-L75 VanDerWaalsContact CB-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 3.18Å; S9-S76 WeakPolarHBondContact OG-CA 3.26Å
10	V	97.1	Very high	89.3	Confident	10 Å²	10	66.2 Å²	66.2	6%	0.061	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.7	174.1	75.2	0	0	0	0	109.5	E2 L12 Q74 L75 L78 V105	E2-V10 HydrophobicContact CB-CG2 3.98Å; E2-V10 HydrophobicContact CG-CG2 3.77Å; V10-L12 HydrophobicContact CG1-CD2 4.4Å; V10-L12 HydrophobicContact CG1-CG 4.41Å; V10-L12 HydrophobicContact CG2-CD2 4.01Å; V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 WeakPolarHBondContact O-CA 3.32Å; V10-L75 HydrophobicContact CG1-CB 4.11Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 3.02Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-V105 HydrophobicContact CG1-CG1 4.42Å; V10-V105 HydrophobicContact CG1-CG2 4.4Å
11	K	97.6	Very high	89.1	Confident	120 Å²	120	63 Å²	63	52%	0.522	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.1	173.8	-174.2	178	179.2	-178.5	0	109	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; K11-M73 WeakPolarHBondContact CA-O 3.36Å
12	L	97.3	Very high	89.1	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.3	176.8	-54.6	-175.8	0	0	0	109.7	E2 V10 W28 Y72 M73 Y86 T103 V105	E2-L12 HydrophobicContact CG-CD2 4.32Å; V10-L12 HydrophobicContact CG1-CD2 4.4Å; V10-L12 HydrophobicContact CG1-CG 4.41Å; V10-L12 HydrophobicContact CG2-CD2 4.01Å; L12-W28 HydrophobicContact CB-CH2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 3.9Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L12-M73 HydrophobicContact CD1-CE 3.77Å; L12-M73 PolarHBondContact N-O 3.22Å; L12-M73 PolarHBondContact O-N 2.8Å; L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD2 4.24Å; L12-Y86 HydrophobicContact CD1-CG 3.83Å; L12-T103 HydrophobicContact CD2-CG2 3.84Å; L12-V105 HydrophobicContact CD1-CG2 4.19Å; L12-V105 HydrophobicContact CD2-CG2 4.1Å
13	S	95.3	Very high	88.7	Confident	72 Å²	72	63.2 Å²	63.2	50%	0.503	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.9	178.6	60.5	0	0	0	0	111.7	A71	S13-A71 CarbonylContact C-O 3.47Å; S13-A71 WeakPolarHBondContact CA-O 3.11Å
14	C	92.4	Very high	88.3	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.047	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.5	174.3	-174.8	0	0	0	0	108.4	I26 W28 T70 A71 C88	C14-I26 HydrophobicContact CB-CG2 4.5Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; C14-T70 CarbonylContact O-C 3.51Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; C14-A71 HydrophobicContact CB-CB 4.49Å; C14-A71 PolarHBondContact N-O 2.92Å; C14-A71 PolarHBondContact O-N 3.01Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.32Å; C14-C88 WeakPolarHBondContact SG-CB 3.41Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.85Å
15	T	90.6	Very high	88.1	Confident	85 Å²	85	59.8 Å²	59.8	52%	0.521	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.2	-178.2	-57.4	0	0	0	0	109	T70	T15-T70 PolarHBondContact OG1-OG1 2.87Å
16	G	79.6	Confident	88	Confident	11 Å²	11	53 Å²	53	11%	0.113	34%	0.336	C	S	.	.			trans	-62.6	140.5	177.7	0	0	0	0	0	111.2	S69	G16-S69 PolarHBondContact N-O 3.12Å
17	S	72.8	Confident	87.9	Confident	84 Å²	84	50.1 Å²	50.1	59%	0.587	32%	0.316	S	S	*	.	S	Bend	trans	-104.9	99.8	-174.3	61.9	0	0	0	0	112.3	F19	S17-F19 VanDerWaalsContact N-CE1 3.28Å; S17-F19 VanDerWaalsContact N-CZ 3.35Å; S17-F19 WeakPolarHBondContact O-CD1 3.48Å; S17-F19 WeakPolarHBondContact O-CE1 3.29Å; S17-F19 PolarHBondContact O-N 2.96Å
18	G	70	Confident	88	Confident	91 Å²	91	47.7 Å²	47.7	94%	0.938	29%	0.289	S	S	*	.	S	Bend	trans	80.9	10.2	171.6	0	0	0	0	0	116
19	F	68.1	Low	88	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.254	28%	0.277	S	S	.	.	S	Bend	trans	-143.7	170.3	175.3	56.7	-90.5	0	0	0	110.8	S17 T24 E90 Y92	S17-F19 VanDerWaalsContact N-CE1 3.28Å; S17-F19 VanDerWaalsContact N-CZ 3.35Å; S17-F19 WeakPolarHBondContact O-CD1 3.48Å; S17-F19 WeakPolarHBondContact O-CE1 3.29Å; S17-F19 PolarHBondContact O-N 2.96Å; F19-T24 HydrophobicContact CE2-CG2 4.08Å; F19-E90 WeakPolarHBondContact CE1-OE2 3.47Å; F19-E90 HydrophobicContact CZ-CG 4.34Å; F19-E90 VanDerWaalsContact CZ-OE1 3.31Å; F19-E90 WeakPolarHBondContact CZ-OE1 3.42Å; F19-E90 WeakPolarHBondContact CZ-OE2 3.49Å; F19-Y92 WeakPolarHBondContact CD1-OH 3.27Å; F19-Y92 WeakPolarHBondContact CD2-OH 3.25Å; F19-Y92 WeakPolarHBondContact CE1-OH 3.28Å; F19-Y92 WeakPolarHBondContact CE2-OH 3.2Å; F19-Y92 WeakPolarHBondContact CG-OH 3.32Å; F19-Y92 WeakPolarHBondContact CZ-OH 3.39Å
20	N	77.9	Confident	88	Confident	62 Å²	62	43.2 Å²	43.2	33%	0.332	26%	0.255	S	S	.	.			trans	-82.7	117.3	177.9	176	10.2	0	0	0	110.1	K22 D23	N20-K22 PolarHBondContact O-N 2.99Å; N20-K22 WeakPolarHBondContact OD1-CB 3.04Å; N20-K22 VanDerWaalsContact OD1-CG 3.25Å; N20-K22 WeakPolarHBondContact OD1-CG 3.49Å; N20-K22 PolarHBondContact OD1-N 2.81Å; N20-K22 VanDerWaalsContact OD1-N 3.17Å; N20-D23 WeakPolarHBondContact CB-OD2 3.13Å; N20-D23 PolarHBondContact ND2-OD2 2.99Å; N20-D23 PolarHBondContact O-N 3.01Å; N20-D23 VanDerWaalsContact O-N 3.1Å
21	I	84.6	Confident	87.9	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58.9	-17.3	-177.7	-151.7	-177.3	0	0	0	113.3	D23 T24 I26 P45 A71	I21-D23 PolarHBondContact O-N 3.13Å; I21-T24 HydrophobicContact CG1-CG2 4.35Å; I21-T24 WeakPolarHBondContact O-CG2 3.46Å; I21-I26 HydrophobicContact CD1-CD1 3.99Å; I21-I26 HydrophobicContact CD1-CG1 3.83Å; I21-I26 HydrophobicContact CG1-CD1 3.7Å; I21-I26 HydrophobicContact CG1-CG1 3.84Å; I21-P45 HydrophobicContact CD1-CG 4.39Å; I21-P45 HydrophobicContact CG1-CG 4.09Å; I21-P45 HydrophobicContact CG2-CB 3.93Å; I21-P45 HydrophobicContact CG2-CG 4.35Å; I21-P45 VanDerWaalsContact O-CG 3.25Å; I21-P45 WeakPolarHBondContact O-CG 3.48Å; I21-A71 HydrophobicContact CD1-CB 3.81Å
22	K	84.4	Confident	87.6	Confident	79 Å²	79	43 Å²	43	34%	0.343	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-67.6	-20.8	178.1	-63.8	173.7	-171.1	172	0	113.8	N20 T24 S46 K66	N20-K22 PolarHBondContact O-N 2.99Å; N20-K22 WeakPolarHBondContact OD1-CB 3.04Å; N20-K22 VanDerWaalsContact OD1-CG 3.25Å; N20-K22 WeakPolarHBondContact OD1-CG 3.49Å; N20-K22 PolarHBondContact OD1-N 2.81Å; N20-K22 VanDerWaalsContact OD1-N 3.17Å; K22-T24 VanDerWaalsContact C-N 3.33Å; K22-S46 WeakPolarHBondContact O-CB 3.39Å; K22-K66 HydrophobicContact CD-CG 4.39Å; K22-K66 VanDerWaalsContact CE-CB 3.45Å; K22-K66 HydrophobicContact CG-CG 4.21Å
23	D	84.6	Confident	87	Confident	124 Å²	124	47.8 Å²	47.8	66%	0.663	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-93.3	3.6	-172.8	-56	-39.1	0	0	0	112.5	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.13Å; N20-D23 PolarHBondContact ND2-OD2 2.99Å; N20-D23 PolarHBondContact O-N 3.01Å; N20-D23 VanDerWaalsContact O-N 3.1Å; I21-D23 PolarHBondContact O-N 3.13Å
24	T	86.6	Confident	86.4	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.018	31%	0.307	C	S	.	.	S	Bend	trans	-132.4	160	-177.5	-179.9	0	0	0	0	111.2	F19 I21 K22 I26 P45 D91	F19-T24 HydrophobicContact CE2-CG2 4.08Å; I21-T24 HydrophobicContact CG1-CG2 4.35Å; I21-T24 WeakPolarHBondContact O-CG2 3.46Å; K22-T24 VanDerWaalsContact C-N 3.33Å; T24-I26 HydrophobicContact CG2-CD1 3.69Å; T24-P45 WeakPolarHBondContact O-CD 3.4Å; T24-D91 PolarHBondContact OG1-N 2.91Å; T24-D91 PolarHBondContact OG1-O 3.1Å
25	F	91.2	Very high	86	Confident	71 Å²	71	58.6 Å²	58.6	31%	0.311	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	143.9	161.2	-60	-90.5	0	0	0	109.5	Y42 N44 E90 D91	F25-Y42 HydrophobicContact CB-CD2 4.22Å; F25-Y42 AromaticContact CD1-CD2 3.54Å; F25-Y42 HydrophobicContact CD1-CD2 3.54Å; F25-Y42 AromaticContact CD1-CE2 3.36Å; F25-Y42 HydrophobicContact CD1-CE2 3.36Å; F25-Y42 HydrophobicContact CE1-CD2 4.32Å; F25-Y42 AromaticContact CE1-CE2 3.68Å; F25-Y42 HydrophobicContact CE1-CE2 3.68Å; F25-Y42 HydrophobicContact CG-CD2 4.27Å; F25-Y42 HydrophobicContact CG-CE2 4.35Å; F25-N44 HydrophobicContact CD1-CB 3.72Å; F25-N44 HydrophobicContact CE1-CB 3.63Å; F25-N44 VanDerWaalsContact CE1-ND2 3.27Å; F25-N44 WeakPolarHBondContact CE1-ND2 3.4Å; F25-E90 WeakPolarHBondContact O-CA 3.47Å; F25-D91 HydrophobicContact CB-CB 4.25Å; F25-D91 PolarHBondContact O-N 3.16Å; F25-D91 VanDerWaalsContact O-N 3.07Å
26	I	93.1	Very high	85.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.6	175.9	-52	-63.2	0	0	0	108.4	C14 I21 T24 Y42 I43 P45 A71 C88 E90	C14-I26 HydrophobicContact CB-CG2 4.5Å; I21-I26 HydrophobicContact CD1-CD1 3.99Å; I21-I26 HydrophobicContact CD1-CG1 3.83Å; I21-I26 HydrophobicContact CG1-CD1 3.7Å; I21-I26 HydrophobicContact CG1-CG1 3.84Å; T24-I26 HydrophobicContact CG2-CD1 3.69Å; I26-Y42 CarbonylContact O-C 3.49Å; I26-Y42 WeakPolarHBondContact O-CA 3.42Å; I26-Y42 WeakPolarHBondContact O-CB 3.37Å; I26-I43 HydrophobicContact CB-CG2 4Å; I26-I43 PolarHBondContact N-O 2.95Å; I26-I43 PolarHBondContact O-N 3.26Å; I26-P45 HydrophobicContact CG1-CG 3.91Å; I26-A71 HydrophobicContact CB-CB 4.07Å; I26-A71 HydrophobicContact CG1-CB 4.04Å; I26-A71 HydrophobicContact CG2-CB 3.82Å; I26-C88 HydrophobicContact CG2-CB 4.22Å; I26-E90 HydrophobicContact CD1-CB 4.47Å; I26-E90 HydrophobicContact CD1-CG 3.6Å
27	H	94.8	Very high	86.6	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.065	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.8	179.6	-65.5	-119.3	0	0	0	110.2	W39 G41 Y42 C88 A89 D91 F96	H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CE2 3.98Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; H27-G41 WeakPolarHBondContact CA-O 3.47Å; H27-Y42 AromaticContact CE1-CD1 3.66Å; H27-Y42 AromaticContact CE1-CG 3.84Å; H27-Y42 WeakPolarHBondContact ND1-CB 2.97Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; H27-A89 PolarHBondContact N-O 3.08Å; H27-A89 PolarHBondContact O-N 3.04Å; H27-D91 IonicContact NE2-OD2 3.95Å; H27-F96 HydrophobicContact CB-CE1 3.67Å; H27-F96 HydrophobicContact CB-CZ 4.43Å; H27-F96 AromaticContact CD2-CE1 3.58Å; H27-F96 AromaticContact CE1-CE1 3.8Å; H27-F96 AromaticContact CE1-CZ 3.8Å; H27-F96 AromaticContact CG-CE1 3.34Å; H27-F96 AromaticContact CG-CZ 3.93Å; H27-F96 AromaticContact ND1-CE1 3.46Å; H27-F96 WeakPolarHBondContact ND1-CE1 3.46Å; H27-F96 AromaticContact ND1-CZ 3.54Å; H27-F96 AromaticContact NE2-CE1 3.9Å
28	W	96.9	Very high	87.6	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.7	175.4	-69	89.8	0	0	0	110	L12 C14 I40 G41 L62 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 3.9Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 3.22Å; W28-G41 PolarHBondContact N-O 2.83Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-M73 HydrophobicContact CB-CE 4.45Å; W28-M73 HydrophobicContact CB-SD 3.71Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CE 4.12Å; W28-M73 HydrophobicContact CD2-CG 4.37Å; W28-M73 HydrophobicContact CD2-SD 3.96Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.57Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 4.07Å; W28-M73 HydrophobicContact CG-SD 3.84Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; W28-Y87 WeakPolarHBondContact CA-O 3.27Å; W28-C88 HydrophobicContact CD2-CB 4.32Å; W28-C88 HydrophobicContact CE3-CB 4.13Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å
29	V	96.6	Very high	88.9	Confident	6 Å²	6	58 Å²	58	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134	-172.5	-177	0	0	0	0	109.5	L37 E38 Y86 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.11Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.45Å; V29-Y87 PolarHBondContact N-O 2.77Å; V29-Y87 PolarHBondContact O-N 2.89Å; V29-W99 HydrophobicContact CB-CH2 4.3Å; V29-W99 HydrophobicContact CB-CZ3 4.01Å; V29-W99 HydrophobicContact CG1-CH2 4.28Å; V29-W99 HydrophobicContact CG1-CZ3 4.19Å; V29-W99 HydrophobicContact CG2-CH2 3.86Å; V29-W99 HydrophobicContact CG2-CZ3 3.97Å
30	K	96.4	Very high	90.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.3	173.5	-176.1	179	-177.8	-179.2	0	109.2	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.14Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 2.78Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CB-CG1 4.26Å; K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; K30-E81 PolarHBondContact NZ-O 2.98Å; K30-D82 IonicContact NZ-OD1 2.83Å; K30-D82 PolarHBondContact NZ-OD1 3.17Å; K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	96	Very high	91.2	Very high	69 Å²	69	52.3 Å²	52.3	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.5	170.5	-170.7	-178.4	39.6	0	0	109.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-V85 PolarHBondContact N-O 2.91Å; Q31-V85 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å
32	R	91.5	Very high	91.7	Very high	57 Å²	57	54.2 Å²	54.2	22%	0.215	28%	0.275	C	S	.	.			trans	-86.2	150.8	169.3	-59.4	-159.7	-175.6	96.8	-5.2	110.2	K30 E34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.14Å; R32-E34 PolarHBondContact O-N 2.87Å; R32-Q35 HydrophobicContact CB-CB 4.06Å; R32-Q35 HydrophobicContact CB-CG 4.26Å; R32-Q35 VanDerWaalsContact CD-OE1 3.26Å; R32-Q35 PolarHBondContact O-N 3.47Å; R32-E38 IonicContact CZ-OE1 3.6Å; R32-E38 IonicContact NH1-OE1 2.81Å; R32-E38 PolarHBondContact NH1-OE1 2.92Å; R32-E81 PolarHBondContact NE-O 3.46Å; R32-E81 PolarHBondContact NH2-O 3.2Å; R32-A84 HydrophobicContact CG-CB 4.31Å
33	P	82.8	Confident	92.2	Very high	106 Å²	106	50.6 Å²	50.6	69%	0.688	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	131.9	166.6	-22.9	33.4	0	0	0	109.8	Q35	P33-Q35 PolarHBondContact O-N 3.02Å; P33-Q35 VanDerWaalsContact O-N 3.09Å
34	E	84.2	Confident	92.7	Very high	208 Å²	208	46 Å²	46	97%	0.972	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	2.2	177.9	-49.6	-179.7	173.5	0	0	116.4	R32	R32-E34 PolarHBondContact O-N 2.87Å
35	Q	83.4	Confident	93	Very high	99 Å²	99	46 Å²	46	46%	0.463	24%	0.235	S	C	.	.	S	Bend	trans	-112.6	156.8	172.4	-59.5	-179.9	-8.8	0	0	111.2	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.06Å; R32-Q35 HydrophobicContact CB-CG 4.26Å; R32-Q35 VanDerWaalsContact CD-OE1 3.26Å; R32-Q35 PolarHBondContact O-N 3.47Å; P33-Q35 PolarHBondContact O-N 3.02Å; P33-Q35 VanDerWaalsContact O-N 3.09Å
36	G	88.3	Confident	93	Very high	57 Å²	57	45.4 Å²	45.4	59%	0.588	24%	0.24	S	C	*	.			trans	-65.5	176.3	173.7	0	0	0	0	0	112.9	E38	G36-E38 PolarHBondContact O-N 2.81Å
37	L	93.6	Very high	93.1	Very high	95 Å²	95	50.1 Å²	50.1	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.5	174	-64	176.7	0	0	0	110.4	V29 Q31 W99	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; L37-W99 HydrophobicContact CD1-CH2 3.89Å; L37-W99 HydrophobicContact CD1-CZ3 4.34Å
38	E	95.5	Very high	93	Very high	30 Å²	30	51.6 Å²	51.6	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.5	172.8	-65.8	-165.9	-98.6	0	0	109.6	V29 K30 R32 G36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.11Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 2.78Å; R32-E38 IonicContact CZ-OE1 3.6Å; R32-E38 IonicContact NH1-OE1 2.81Å; R32-E38 PolarHBondContact NH1-OE1 2.92Å; G36-E38 PolarHBondContact O-N 2.81Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-K55 IonicContact OE2-NZ 2.92Å; E38-K55 PolarHBondContact OE2-NZ 3.27Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.25Å
39	W	95.7	Very high	93	Very high	76 Å²	76	57.5 Å²	57.5	29%	0.288	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.6	174.9	-179.7	71.7	0	0	0	110.9	H27 G41 Y42 E51 N53	H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CE2 3.98Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 3.4Å; W39-G41 VanDerWaalsContact NE1-O 3.13Å; W39-Y42 HydrophobicContact CH2-CD1 4.32Å; W39-Y42 AromaticContact CZ2-CD1 3.66Å; W39-Y42 HydrophobicContact CZ2-CD1 3.66Å; W39-Y42 HydrophobicContact CZ2-CG 4.39Å; W39-E51 HydrophobicContact CH2-CB 4.36Å; W39-E51 HydrophobicContact CH2-CG 4.18Å; W39-N53 HydrophobicContact CE3-CB 3.86Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 WeakPolarHBondContact O-CB 3.2Å; W39-N53 PolarHBondContact O-ND2 2.82Å
40	I	97.5	Very high	93	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-48.2	-178.1	-64.1	172.6	0	0	0	110.6	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 3.22Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CB-CG1 4.26Å; E38-I40 PolarHBondContact O-N 2.83Å; I40-N53 PolarHBondContact O-N 2.92Å; I40-F56 HydrophobicContact CB-CD2 4.22Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.29Å; I40-F56 HydrophobicContact CG1-CD2 4.09Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.16Å; I40-F56 HydrophobicContact CG1-CZ 4.24Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 4.01Å; I40-A60 HydrophobicContact CG2-CB 3.82Å; I40-M73 HydrophobicContact CD1-CE 3.94Å; I40-M73 HydrophobicContact CD1-SD 3.61Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	97	Very high	93	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	175.8	-169.2	0	0	0	0	0	111.9	H27 W28 W39 E51	H27-G41 WeakPolarHBondContact CA-O 3.47Å; W28-G41 PolarHBondContact N-O 2.83Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 3.4Å; W39-G41 VanDerWaalsContact NE1-O 3.13Å; G41-E51 CarbonylContact C-O 3.57Å; G41-E51 WeakPolarHBondContact CA-O 3.49Å
42	Y	95.8	Very high	93.1	Very high	40 Å²	40	62.4 Å²	62.4	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.8	169.4	77.5	-107.2	0	0	0	111.5	F25 I26 H27 W39 Y49 T50 E51 L62	F25-Y42 HydrophobicContact CB-CD2 4.22Å; F25-Y42 AromaticContact CD1-CD2 3.54Å; F25-Y42 HydrophobicContact CD1-CD2 3.54Å; F25-Y42 AromaticContact CD1-CE2 3.36Å; F25-Y42 HydrophobicContact CD1-CE2 3.36Å; F25-Y42 HydrophobicContact CE1-CD2 4.32Å; F25-Y42 AromaticContact CE1-CE2 3.68Å; F25-Y42 HydrophobicContact CE1-CE2 3.68Å; F25-Y42 HydrophobicContact CG-CD2 4.27Å; F25-Y42 HydrophobicContact CG-CE2 4.35Å; I26-Y42 CarbonylContact O-C 3.49Å; I26-Y42 WeakPolarHBondContact O-CA 3.42Å; I26-Y42 WeakPolarHBondContact O-CB 3.37Å; H27-Y42 AromaticContact CE1-CD1 3.66Å; H27-Y42 AromaticContact CE1-CG 3.84Å; H27-Y42 WeakPolarHBondContact ND1-CB 2.97Å; W39-Y42 HydrophobicContact CH2-CD1 4.32Å; W39-Y42 AromaticContact CZ2-CD1 3.66Å; W39-Y42 HydrophobicContact CZ2-CD1 3.66Å; W39-Y42 HydrophobicContact CZ2-CG 4.39Å; Y42-Y49 HydrophobicContact CE2-CD1 4.01Å; Y42-Y49 HydrophobicContact CE2-CE1 4.24Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.47Å; Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 2.96Å; Y42-E51 HydrophobicContact CD1-CB 3.99Å; Y42-E51 HydrophobicContact CE1-CB 3.56Å; Y42-E51 HydrophobicContact CE1-CG 4.35Å; Y42-E51 VanDerWaalsContact CE1-OE2 3.28Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.49Å; Y42-E51 HydrophobicContact CE2-CB 4.5Å; Y42-E51 PolarHBondContact N-O 2.9Å; Y42-E51 PolarHBondContact O-N 2.87Å; Y42-E51 PolarHBondContact OH-OE2 2.86Å; Y42-L62 WeakPolarHBondContact O-CD1 3.16Å
43	I	95.7	Very high	93.4	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.9	168.3	-175.6	165.7	0	0	0	110.1	I26 P45 Y49 T50 L62 T63 A64 A71	I26-I43 HydrophobicContact CB-CG2 4Å; I26-I43 PolarHBondContact N-O 2.95Å; I26-I43 PolarHBondContact O-N 3.26Å; I43-P45 VanDerWaalsContact O-CD 3.32Å; I43-P45 WeakPolarHBondContact O-CD 3.34Å; I43-Y49 CarbonylContact C-O 3.6Å; I43-Y49 WeakPolarHBondContact CA-O 3.11Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-T63 VanDerWaalsContact CD1-C 3.42Å; I43-A64 HydrophobicContact CD1-CB 3.94Å; I43-A71 HydrophobicContact CG2-CB 4.35Å
44	N	94.1	Very high	94	Very high	27 Å²	27	63.3 Å²	63.3	14%	0.144	33%	0.334	C	S	.	.			trans	-88.6	107.7	161.5	-177.5	-46.5	0	0	0	108.2	F25 S46 T47 G48 Y49	F25-N44 HydrophobicContact CD1-CB 3.72Å; F25-N44 HydrophobicContact CE1-CB 3.63Å; F25-N44 VanDerWaalsContact CE1-ND2 3.27Å; F25-N44 WeakPolarHBondContact CE1-ND2 3.4Å; N44-S46 PolarHBondContact O-N 3.09Å; N44-S46 WeakPolarHBondContact OD1-CA 3.22Å; N44-S46 WeakPolarHBondContact OD1-CB 3.39Å; N44-S46 PolarHBondContact OD1-N 3.19Å; N44-T47 WeakPolarHBondContact CB-OG1 3.16Å; N44-T47 PolarHBondContact O-N 2.89Å; N44-T47 PolarHBondContact OD1-N 3.47Å; N44-T47 VanDerWaalsContact OD1-N 3.09Å; N44-T47 PolarHBondContact OD1-OG1 3.43Å; N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.39Å; N44-G48 PolarHBondContact O-N 2.79Å; N44-Y49 PolarHBondContact N-O 2.82Å
45	P	92.9	Very high	94.4	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.013	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.6	-176.5	-24	39.7	0	0	0	113.5	I21 T24 I26 I43 A64 K66	I21-P45 HydrophobicContact CD1-CG 4.39Å; I21-P45 HydrophobicContact CG1-CG 4.09Å; I21-P45 HydrophobicContact CG2-CB 3.93Å; I21-P45 HydrophobicContact CG2-CG 4.35Å; I21-P45 VanDerWaalsContact O-CG 3.25Å; I21-P45 WeakPolarHBondContact O-CG 3.48Å; T24-P45 WeakPolarHBondContact O-CD 3.4Å; I26-P45 HydrophobicContact CG1-CG 3.91Å; I43-P45 VanDerWaalsContact O-CD 3.32Å; I43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-A64 HydrophobicContact CB-CB 3.74Å; P45-A64 HydrophobicContact CG-CB 4.19Å; P45-K66 WeakPolarHBondContact O-CE 3.28Å
46	S	91.8	Very high	95	Very high	59 Å²	59	56.1 Å²	56.1	41%	0.413	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-50.4	175.8	-172.2	0	0	0	0	111.6	K22 N44 K66	K22-S46 WeakPolarHBondContact O-CB 3.39Å; N44-S46 PolarHBondContact O-N 3.09Å; N44-S46 WeakPolarHBondContact OD1-CA 3.22Å; N44-S46 WeakPolarHBondContact OD1-CB 3.39Å; N44-S46 PolarHBondContact OD1-N 3.19Å; S46-K66 WeakPolarHBondContact O-CE 3.05Å; S46-K66 PolarHBondContact O-NZ 2.86Å
47	T	94.1	Very high	95.3	Very high	99 Å²	99	58.8 Å²	58.8	61%	0.607	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-20.6	-174.7	63.4	0	0	0	0	114	N44 Y49	N44-T47 WeakPolarHBondContact CB-OG1 3.16Å; N44-T47 PolarHBondContact O-N 2.89Å; N44-T47 PolarHBondContact OD1-N 3.47Å; N44-T47 VanDerWaalsContact OD1-N 3.09Å; N44-T47 PolarHBondContact OD1-OG1 3.43Å; T47-Y49 VanDerWaalsContact OG1-CB 3.31Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.24Å; T47-Y49 PolarHBondContact OG1-N 3.13Å
48	G	93.9	Very high	95.3	Very high	45 Å²	45	61.3 Å²	61.3	46%	0.464	31%	0.307	S	S	.	.			trans	76.1	5.9	-169.1	0	0	0	0	0	113.6	N44	N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.39Å; N44-G48 PolarHBondContact O-N 2.79Å
49	Y	95.5	Very high	95.3	Very high	128 Å²	128	61.4 Å²	61.4	50%	0.502	31%	0.308	S	S	.	.			trans	-63.4	136.6	175.8	179.9	-96.5	0	0	0	110.3	Y42 I43 N44 T47 E51	Y42-Y49 HydrophobicContact CE2-CD1 4.01Å; Y42-Y49 HydrophobicContact CE2-CE1 4.24Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.47Å; I43-Y49 CarbonylContact C-O 3.6Å; I43-Y49 WeakPolarHBondContact CA-O 3.11Å; N44-Y49 PolarHBondContact N-O 2.82Å; T47-Y49 VanDerWaalsContact OG1-CB 3.31Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.24Å; T47-Y49 PolarHBondContact OG1-N 3.13Å; Y49-E51 HydrophobicContact CE1-CB 4.17Å
50	T	97.3	Very high	95.4	Very high	43 Å²	43	58 Å²	58	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.2	179	50.8	0	0	0	0	110.4	Y42 I43 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 2.96Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.5Å; T50-L62 HydrophobicContact CG2-CB 3.87Å
51	E	96.9	Very high	95.5	Very high	84 Å²	84	61.3 Å²	61.3	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.1	170.2	-165.7	172.6	167.6	0	0	108.8	W39 G41 Y42 Y49	W39-E51 HydrophobicContact CH2-CB 4.36Å; W39-E51 HydrophobicContact CH2-CG 4.18Å; G41-E51 CarbonylContact C-O 3.57Å; G41-E51 WeakPolarHBondContact CA-O 3.49Å; Y42-E51 HydrophobicContact CD1-CB 3.99Å; Y42-E51 HydrophobicContact CE1-CB 3.56Å; Y42-E51 HydrophobicContact CE1-CG 4.35Å; Y42-E51 VanDerWaalsContact CE1-OE2 3.28Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.49Å; Y42-E51 HydrophobicContact CE2-CB 4.5Å; Y42-E51 PolarHBondContact N-O 2.9Å; Y42-E51 PolarHBondContact O-N 2.87Å; Y42-E51 PolarHBondContact OH-OE2 2.86Å; Y49-E51 HydrophobicContact CE1-CB 4.17Å
52	Y	97.9	Very high	95.5	Very high	52 Å²	52	61.7 Å²	61.7	20%	0.204	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.8	-175	-62.2	-91.9	0	0	0	110.1	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.5Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.86Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å
53	N	96.8	Very high	95.6	Very high	46 Å²	46	62.7 Å²	62.7	25%	0.246	33%	0.329	C	S	.	.			trans	-67	134	157	178.7	-22.8	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.86Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 WeakPolarHBondContact O-CB 3.2Å; W39-N53 PolarHBondContact O-ND2 2.82Å; I40-N53 PolarHBondContact O-N 2.92Å; N53-K55 PolarHBondContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.27Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.91Å; N53-K57 PolarHBondContact O-N 2.96Å
54	Q	95.7	Very high	95.5	Very high	135 Å²	135	64.2 Å²	64.2	63%	0.631	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.8	-175.4	-168.7	62	29	0	0	113.2	F56	Q54-F56 VanDerWaalsContact C-N 3.25Å; Q54-F56 PolarHBondContact O-N 3.33Å
55	K	93.4	Very high	95.5	Very high	148 Å²	148	65.9 Å²	65.9	64%	0.643	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.2	176.5	-67.2	-172.7	-173.7	-178.8	0	114	E38 N53	E38-K55 IonicContact OE2-NZ 2.92Å; E38-K55 PolarHBondContact OE2-NZ 3.27Å; N53-K55 PolarHBondContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.27Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56	F	95.4	Very high	95.3	Very high	9 Å²	9	70 Å²	70	4%	0.039	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-4.3	-170.9	-59.5	-76.9	0	0	0	113.3	K30 E38 I40 N53 Q54 D58 M59 A60	K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.25Å; I40-F56 HydrophobicContact CB-CD2 4.22Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.29Å; I40-F56 HydrophobicContact CG1-CD2 4.09Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.16Å; I40-F56 HydrophobicContact CG1-CZ 4.24Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 4.01Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.91Å; Q54-F56 VanDerWaalsContact C-N 3.25Å; Q54-F56 PolarHBondContact O-N 3.33Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.02Å; F56-M59 HydrophobicContact CD1-CE 3.67Å; F56-M59 HydrophobicContact CE1-CE 4.12Å; F56-M59 PolarHBondContact O-N 3.27Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 3.34Å
57	K	94.2	Very high	95.2	Very high	113 Å²	113	73 Å²	73	49%	0.491	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.4	-172.4	-171.6	174.8	-177.1	175.5	0	113.9	N53	N53-K57 PolarHBondContact O-N 2.96Å
58	D	94.4	Very high	95	Very high	148 Å²	148	70.5 Å²	70.5	79%	0.791	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.3	-179.8	-58.4	-36.4	0	0	0	112.9	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.02Å
59	M	95.9	Very high	94.8	Very high	32 Å²	32	69.8 Å²	69.8	16%	0.158	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-38.8	-175.6	-170.3	-178.6	90.1	0	0	112.5	F56 L75 S76	F56-M59 HydrophobicContact CD1-CE 3.67Å; F56-M59 HydrophobicContact CE1-CE 4.12Å; F56-M59 PolarHBondContact O-N 3.27Å; M59-L75 HydrophobicContact CE-CD1 4.45Å; M59-L75 HydrophobicContact CE-CD2 3.71Å; M59-L75 HydrophobicContact CE-CG 4.48Å; M59-L75 WeakPolarHBondContact O-CA 3.35Å; M59-S76 WeakPolarHBondContact CG-O 2.97Å; M59-S76 PolarHBondContact O-N 2.86Å; M59-S76 PolarHBondContact O-OG 2.93Å; M59-S76 VanDerWaalsContact O-OG 3.08Å
60	A	97.6	Very high	94.7	Very high	3 Å²	3	64.1 Å²	64.1	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.9	-171	0	0	0	0	0	111.9	I40 Y52 F56 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.82Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 3.34Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.31Å; A60-L75 HydrophobicContact CB-CD2 3.74Å
61	T	98.2	Very high	94.6	Very high	71 Å²	71	62 Å²	62	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119	171.3	-59.2	0	0	0	0	109.1	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-M73 WeakPolarHBondContact O-CA 2.92Å; T61-Q74 PolarHBondContact N-O 3.38Å; T61-Q74 PolarHBondContact O-N 2.94Å
62	L	98.1	Very high	94.6	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.9	178.5	-52.4	-176.3	0	0	0	110.7	W28 Y42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4Å; Y42-L62 WeakPolarHBondContact O-CD1 3.16Å; I43-L62 HydrophobicContact CB-CB 4.13Å; T50-L62 HydrophobicContact CG2-CB 3.87Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.86Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å; L62-Y72 WeakPolarHBondContact CA-O 3.05Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	97.2	Very high	94.6	Very high	61 Å²	61	58.1 Å²	58.1	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.4	177.5	57.4	0	0	0	0	110.5	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.42Å; T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.52Å; T63-A71 WeakPolarHBondContact O-CA 3.15Å; T63-Y72 PolarHBondContact N-O 2.86Å; T63-Y72 PolarHBondContact O-N 2.85Å
64	A	95.1	Very high	94.7	Very high	35 Å²	35	60.1 Å²	60.1	29%	0.289	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	140	174.3	0	0	0	0	0	111.1	I43 P45	I43-A64 HydrophobicContact CD1-CB 3.94Å; P45-A64 HydrophobicContact CB-CB 3.74Å; P45-A64 HydrophobicContact CG-CB 4.19Å
65	D	92.7	Very high	94.8	Very high	63 Å²	63	53.7 Å²	53.7	34%	0.337	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.4	171.3	-179.2	26.5	0	0	0	109.6	P67 S68 S69 T70 Y72	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.04Å; D65-S68 WeakPolarHBondContact CB-OG 2.99Å; D65-S68 VanDerWaalsContact OD2-CB 3.24Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 3.19Å; D65-S69 PolarHBondContact O-N 3.49Å; D65-S69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 3.07Å; D65-T70 PolarHBondContact O-N 3.23Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å
66	K	90.1	Very high	94.9	Very high	87 Å²	87	48.3 Å²	48.3	38%	0.378	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-52.3	-173.8	-74.1	169.2	178.1	177.6	0	111.8	K22 P45 S46 S68 S69	K22-K66 HydrophobicContact CD-CG 4.39Å; K22-K66 VanDerWaalsContact CE-CB 3.45Å; K22-K66 HydrophobicContact CG-CG 4.21Å; P45-K66 WeakPolarHBondContact O-CE 3.28Å; S46-K66 WeakPolarHBondContact O-CE 3.05Å; S46-K66 PolarHBondContact O-NZ 2.86Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 2.03Å; K66-S69 PolarHBondContact O-N 2.8Å; K66-S69 VanDerWaalsContact O-N 3.14Å
67	P	88.9	Confident	94.9	Very high	123 Å²	123	51.9 Å²	51.9	80%	0.799	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-44.8	175.1	-30.2	29.5	0	0	0	115.1	D65 S69	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.04Å; P67-S69 VanDerWaalsContact C-N 3.3Å
68	S	89.6	Confident	95	Very high	46 Å²	46	46.6 Å²	46.6	32%	0.322	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.3	-179.3	66	0	0	0	0	113.9	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 2.99Å; D65-S68 VanDerWaalsContact OD2-CB 3.24Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 3.19Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 2.03Å; S68-T70 PolarHBondContact O-N 3.05Å; S68-T70 VanDerWaalsContact O-N 3.16Å; S68-T70 PolarHBondContact O-OG1 2.8Å
69	S	90.4	Very high	95	Very high	31 Å²	31	42.5 Å²	42.5	22%	0.217	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	43.6	-174.8	-62.6	0	0	0	0	112.8	G16 D65 K66 P67	G16-S69 PolarHBondContact N-O 3.12Å; D65-S69 PolarHBondContact O-N 3.49Å; D65-S69 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.8Å; K66-S69 VanDerWaalsContact O-N 3.14Å; P67-S69 VanDerWaalsContact C-N 3.3Å
70	T	93	Very high	94.9	Very high	8 Å²	8	45 Å²	45	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.5	-174.3	-60.3	0	0	0	0	111	C14 T15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.51Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; T15-T70 PolarHBondContact OG1-OG1 2.87Å; D65-T70 PolarHBondContact N-O 3.07Å; D65-T70 PolarHBondContact O-N 3.23Å; S68-T70 PolarHBondContact O-N 3.05Å; S68-T70 VanDerWaalsContact O-N 3.16Å; S68-T70 PolarHBondContact O-OG1 2.8Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.04Å; T70-Y72 WeakPolarHBondContact O-CE2 2.99Å
71	A	94.9	Very high	94.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.4	168.2	0	0	0	0	0	110.4	S13 C14 I21 I26 I43 T63	S13-A71 CarbonylContact C-O 3.47Å; S13-A71 WeakPolarHBondContact CA-O 3.11Å; C14-A71 HydrophobicContact CB-CB 4.49Å; C14-A71 PolarHBondContact N-O 2.92Å; C14-A71 PolarHBondContact O-N 3.01Å; I21-A71 HydrophobicContact CD1-CB 3.81Å; I26-A71 HydrophobicContact CB-CB 4.07Å; I26-A71 HydrophobicContact CG1-CB 4.04Å; I26-A71 HydrophobicContact CG2-CB 3.82Å; I43-A71 HydrophobicContact CG2-CB 4.35Å; T63-A71 CarbonylContact O-C 3.52Å; T63-A71 WeakPolarHBondContact O-CA 3.15Å
72	Y	97.1	Very high	94.5	Very high	53 Å²	53	48.6 Å²	48.6	21%	0.208	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.9	178.4	-53.9	-88.6	0	0	0	111.3	K11 L12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L62-Y72 WeakPolarHBondContact CA-O 3.05Å; T63-Y72 PolarHBondContact N-O 2.86Å; T63-Y72 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.04Å; T70-Y72 WeakPolarHBondContact O-CE2 2.99Å
73	M	98.1	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.7	166.8	175.5	175.5	69.5	0	0	108.6	K11 L12 W28 I40 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.36Å; L12-M73 HydrophobicContact CD1-CE 3.77Å; L12-M73 PolarHBondContact N-O 3.22Å; L12-M73 PolarHBondContact O-N 2.8Å; W28-M73 HydrophobicContact CB-CE 4.45Å; W28-M73 HydrophobicContact CB-SD 3.71Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CE 4.12Å; W28-M73 HydrophobicContact CD2-CG 4.37Å; W28-M73 HydrophobicContact CD2-SD 3.96Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.57Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 4.07Å; W28-M73 HydrophobicContact CG-SD 3.84Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; I40-M73 HydrophobicContact CD1-CE 3.94Å; I40-M73 HydrophobicContact CD1-SD 3.61Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; T61-M73 WeakPolarHBondContact O-CA 2.92Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.07Å; M73-L75 HydrophobicContact CE-CG 4.08Å; M73-L75 HydrophobicContact CG-CD2 3.9Å; M73-L75 HydrophobicContact CG-CG 4.24Å; M73-L75 HydrophobicContact SD-CD2 3.76Å; M73-L75 HydrophobicContact SD-CG 4.35Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.29Å; M73-Y86 HydrophobicContact CE-CG 4.21Å
74	Q	98.1	Very high	94.4	Very high	89 Å²	89	47.4 Å²	47.4	42%	0.416	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.4	169.3	-177.6	171.7	-3.5	0	0	108.9	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 WeakPolarHBondContact O-CA 3.32Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.31Å; T61-Q74 PolarHBondContact N-O 3.38Å; T61-Q74 PolarHBondContact O-N 2.94Å
75	L	97.5	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137	170.8	-56	174.2	0	0	0	108.6	S9 V10 M59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-L75 VanDerWaalsContact CB-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 3.18Å; V10-L75 HydrophobicContact CG1-CB 4.11Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 3.02Å; M59-L75 HydrophobicContact CE-CD1 4.45Å; M59-L75 HydrophobicContact CE-CD2 3.71Å; M59-L75 HydrophobicContact CE-CG 4.48Å; M59-L75 WeakPolarHBondContact O-CA 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.74Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.07Å; M73-L75 HydrophobicContact CE-CG 4.08Å; M73-L75 HydrophobicContact CG-CD2 3.9Å; M73-L75 HydrophobicContact CG-CG 4.24Å; M73-L75 HydrophobicContact SD-CD2 3.76Å; M73-L75 HydrophobicContact SD-CG 4.35Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CB-CG 4.37Å; L75-L78 HydrophobicContact CD1-CD2 4.15Å; L75-Y86 HydrophobicContact CD1-CD1 4.04Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å
76	S	97	Very high	94.7	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	26%	0.259	C	S	.	.			trans	-119.7	156.6	-177.6	61	0	0	0	0	111.9	S9 M59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.26Å; M59-S76 WeakPolarHBondContact CG-O 2.97Å; M59-S76 PolarHBondContact O-N 2.86Å; M59-S76 PolarHBondContact O-OG 2.93Å; M59-S76 VanDerWaalsContact O-OG 3.08Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.84Å
77	S	95.6	Very high	95	Very high	85 Å²	85	42.6 Å²	42.6	59%	0.594	25%	0.25	S	C	*	.	S	Bend	trans	54.5	42	174.8	-54.7	0	0	0	0	114	A8	A8-S77 PolarHBondContact O-N 2.85Å
78	L	95.8	Very high	95.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.216	C	C	.	.			trans	-61.5	140.5	-172.2	-71.2	173.2	0	0	0	113	V4 P6 G7 A8 V10 L75 S76 D82 V105 V107	V4-L78 HydrophobicContact CG2-CD1 3.78Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.46Å; A8-L78 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CB-CG 4.37Å; L75-L78 HydrophobicContact CD1-CD2 4.15Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.84Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V105 HydrophobicContact CD1-CG1 4.35Å; L78-V107 HydrophobicContact CB-CG1 4.4Å; L78-V107 HydrophobicContact CB-CG2 3.99Å; L78-V107 HydrophobicContact CD1-CG2 4.39Å
79	T	95.1	Very high	95.3	Very high	63 Å²	63	35.2 Å²	35.2	39%	0.387	20%	0.201	S	C	.	.			trans	-114.1	169.9	176.1	68.1	0	0	0	0	111	E81 D82 V107	T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 3.32Å; T79-D82 PolarHBondContact N-OD2 3.08Å; T79-D82 WeakPolarHBondContact O-CB 3.17Å; T79-D82 PolarHBondContact O-N 3.47Å; T79-D82 PolarHBondContact OG1-OD2 2.81Å; T79-V107 VanDerWaalsContact O-CB 3.27Å; T79-V107 WeakPolarHBondContact O-CB 3.37Å; T79-V107 WeakPolarHBondContact O-CG1 3.03Å; T79-V107 VanDerWaalsContact O-CG2 3.29Å; T79-V107 WeakPolarHBondContact O-CG2 3.45Å
80	S	93.6	Very high	95.2	Very high	85 Å²	85	34.2 Å²	34.2	59%	0.594	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-55.8	-31.6	174.7	49.4	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.98Å; S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 2.96Å
81	E	91.9	Very high	94.7	Very high	137 Å²	137	34.9 Å²	34.9	64%	0.64	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-69.6	-8.6	176.8	-58.3	-174.5	-178.8	0	0	113.9	K30 R32 T79	K30-E81 PolarHBondContact NZ-O 2.98Å; R32-E81 PolarHBondContact NE-O 3.46Å; R32-E81 PolarHBondContact NH2-O 3.2Å; T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 3.32Å
82	D	94.3	Very high	93.5	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.064	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-91.6	-0.8	173.7	-59.3	-55.2	0	0	0	113.7	K30 L78 T79 S80 A84 Y86 V107	K30-D82 IonicContact NZ-OD1 2.83Å; K30-D82 PolarHBondContact NZ-OD1 3.17Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 3.08Å; T79-D82 WeakPolarHBondContact O-CB 3.17Å; T79-D82 PolarHBondContact O-N 3.47Å; T79-D82 PolarHBondContact OG1-OD2 2.81Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.98Å; D82-V107 HydrophobicContact CB-CG2 4.39Å
83	S	95.8	Very high	92	Very high	37 Å²	37	39.1 Å²	39.1	26%	0.259	23%	0.231	S	C	.	.			trans	-64.9	113	169.7	-55.9	0	0	0	0	110.4	S80 V105 V107	S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 2.96Å; S83-V105 CarbonylContact C-O 3.57Å; S83-V105 VanDerWaalsContact CA-O 3.26Å; S83-V105 WeakPolarHBondContact CA-O 3.24Å; S83-V107 PolarHBondContact OG-N 3.38Å
84	A	96.8	Very high	90.1	Very high	6 Å²	6	50.3 Å²	50.3	5%	0.05	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	171.1	-171	0	0	0	0	0	111.2	K30 Q31 R32 D82 Y86 V105	K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; R32-A84 HydrophobicContact CG-CB 4.31Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V105 PolarHBondContact N-O 3.12Å; A84-V105 PolarHBondContact O-N 3.03Å
85	V	97.3	Very high	88.4	Confident	34 Å²	34	51.9 Å²	51.9	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.7	162.3	-169.3	0	0	0	0	108.6	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.91Å; Q31-V85 PolarHBondContact O-N 2.94Å; V85-Y87 HydrophobicContact CB-CE2 3.75Å; 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 3.4Å
86	Y	97.4	Very high	86.9	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.5	179.1	-70.1	-91	0	0	0	109.9	L12 V29 K30 I40 M73 L75 D82 A84 G102 T103 V105	L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD2 4.24Å; L12-Y86 HydrophobicContact CD1-CG 3.83Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.45Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.29Å; M73-Y86 HydrophobicContact CE-CG 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.04Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.98Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G102 CarbonylContact O-C 3.4Å; Y86-G102 VanDerWaalsContact O-CA 3.28Å; Y86-G102 WeakPolarHBondContact O-CA 3.35Å; Y86-T103 PolarHBondContact N-O 3.46Å; Y86-T103 PolarHBondContact O-N 3.18Å; Y86-V105 HydrophobicContact CD2-CB 3.93Å; Y86-V105 HydrophobicContact CD2-CG2 3.61Å; Y86-V105 HydrophobicContact CE2-CB 3.81Å; Y86-V105 HydrophobicContact CE2-CG2 3.91Å
87	Y	96	Very high	85.6	Confident	47 Å²	47	59.5 Å²	59.5	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.7	-179.3	-62.5	-86.1	0	0	0	110.2	W28 V29 Q31 V85 W99 G100 G102	W28-Y87 WeakPolarHBondContact CA-O 3.27Å; V29-Y87 PolarHBondContact N-O 2.77Å; V29-Y87 PolarHBondContact O-N 2.89Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å; V85-Y87 HydrophobicContact CB-CE2 3.75Å; 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 3.4Å; Y87-W99 HydrophobicContact CD1-CE3 4.45Å; Y87-W99 HydrophobicContact CG-CE3 4.18Å; Y87-W99 HydrophobicContact CG-CZ3 4.35Å; Y87-G100 WeakPolarHBondContact CD1-O 3.25Å; Y87-G102 VanDerWaalsContact CD1-CA 3.41Å
88	C	94.3	Very high	85	Confident	14 Å²	14	58 Å²	58	10%	0.095	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.7	156.1	63.4	0	0	0	0	109.5	C14 I26 H27 W28 G100	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.32Å; C14-C88 WeakPolarHBondContact SG-CB 3.41Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.85Å; I26-C88 HydrophobicContact CG2-CB 4.22Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.32Å; W28-C88 HydrophobicContact CE3-CB 4.13Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å; C88-G100 PolarHBondContact O-N 3.42Å
89	A	92	Very high	84.7	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.6	173.6	0	0	0	0	0	110.3	H27 F96 V98 W99	H27-A89 PolarHBondContact N-O 3.08Å; H27-A89 PolarHBondContact O-N 3.04Å; A89-F96 HydrophobicContact CB-CD1 3.82Å; A89-F96 HydrophobicContact CB-CE1 4.48Å; A89-V98 CarbonylContact C-O 3.58Å; A89-V98 WeakPolarHBondContact CA-O 3.48Å; A89-W99 HydrophobicContact CB-CD2 3.76Å; A89-W99 HydrophobicContact CB-CE3 4.07Å; A89-W99 HydrophobicContact CB-CG 4.16Å; A89-W99 HydrophobicContact CB-CH2 4.38Å; A89-W99 HydrophobicContact CB-CZ2 4.09Å; A89-W99 HydrophobicContact CB-CZ3 4.37Å
90	E	88.4	Confident	84.4	Confident	9 Å²	9	61.2 Å²	61.2	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.1	178.3	-64.4	156.2	-166.7	0	0	109.4	F19 F25 I26 Y92 D97 V98	F19-E90 WeakPolarHBondContact CE1-OE2 3.47Å; F19-E90 HydrophobicContact CZ-CG 4.34Å; F19-E90 VanDerWaalsContact CZ-OE1 3.31Å; F19-E90 WeakPolarHBondContact CZ-OE1 3.42Å; F19-E90 WeakPolarHBondContact CZ-OE2 3.49Å; F25-E90 WeakPolarHBondContact O-CA 3.47Å; I26-E90 HydrophobicContact CD1-CB 4.47Å; I26-E90 HydrophobicContact CD1-CG 3.6Å; E90-Y92 HydrophobicContact CB-CD2 4.37Å; E90-Y92 HydrophobicContact CB-CE2 3.87Å; E90-D97 PolarHBondContact O-N 3.26Å; E90-V98 HydrophobicContact CB-CB 4.2Å; E90-V98 PolarHBondContact N-O 3.5Å; E90-V98 WeakPolarHBondContact OE2-CB 3.24Å
91	D	81.8	Confident	84.4	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.3	176.3	180	-0	0	0	0	111	T24 F25 H27 G93 W94 H95	T24-D91 PolarHBondContact OG1-N 2.91Å; T24-D91 PolarHBondContact OG1-O 3.1Å; F25-D91 HydrophobicContact CB-CB 4.25Å; F25-D91 PolarHBondContact O-N 3.16Å; F25-D91 VanDerWaalsContact O-N 3.07Å; H27-D91 IonicContact NE2-OD2 3.95Å; D91-G93 PolarHBondContact OD1-N 2.95Å; D91-W94 VanDerWaalsContact OD1-CA 3.22Å; D91-W94 WeakPolarHBondContact OD1-CA 3.41Å; D91-W94 PolarHBondContact OD1-N 2.78Å; D91-H95 WeakPolarHBondContact CA-O 3.3Å; D91-H95 PolarHBondContact OD1-N 3.06Å
92	Y	70.2	Confident	84.5	Confident	82 Å²	82	57 Å²	57	32%	0.322	31%	0.311	S	S	.	.	S	Bend	trans	-103.8	88.5	174.2	-71.5	-81.1	0	0	0	111.1	F19 E90 H95 D97 V98	F19-Y92 WeakPolarHBondContact CD1-OH 3.27Å; F19-Y92 WeakPolarHBondContact CD2-OH 3.25Å; F19-Y92 WeakPolarHBondContact CE1-OH 3.28Å; F19-Y92 WeakPolarHBondContact CE2-OH 3.2Å; F19-Y92 WeakPolarHBondContact CG-OH 3.32Å; F19-Y92 WeakPolarHBondContact CZ-OH 3.39Å; E90-Y92 HydrophobicContact CB-CD2 4.37Å; E90-Y92 HydrophobicContact CB-CE2 3.87Å; Y92-H95 PolarHBondContact N-O 3.35Å; Y92-D97 HydrophobicContact CD2-CB 4.34Å; Y92-V98 HydrophobicContact CE2-CG2 4.1Å
93	G	64.1	Low	84.6	Confident	59 Å²	59	58.4 Å²	58.4	61%	0.608	32%	0.32	S	S	*	.	S	Bend	trans	64.6	50.4	173.7	0	0	0	0	0	112.6	D91	D91-G93 PolarHBondContact OD1-N 2.95Å
94	W	59.7	Low	84.6	Confident	235 Å²	235	59.6 Å²	59.6	89%	0.89	33%	0.326	S	S	*	.	S	Bend	trans	86.6	12.9	171.2	-43.6	99.8	0	0	0	116.1	D91	D91-W94 VanDerWaalsContact OD1-CA 3.22Å; D91-W94 WeakPolarHBondContact OD1-CA 3.41Å; D91-W94 PolarHBondContact OD1-N 2.78Å
95	H	61.3	Low	84.6	Confident	122 Å²	122	59.3 Å²	59.3	57%	0.565	32%	0.324	S	S	*	.	S	Bend	trans	-130.3	135.1	176.1	-68.6	74.5	0	0	0	111.7	D91 Y92 D97	D91-H95 WeakPolarHBondContact CA-O 3.3Å; D91-H95 PolarHBondContact OD1-N 3.06Å; Y92-H95 PolarHBondContact N-O 3.35Å; H95-D97 WeakPolarHBondContact CB-OD1 3.31Å; H95-D97 PolarHBondContact O-N 3.09Å
96	F	65.8	Low	84.6	Confident	95 Å²	95	60.6 Å²	60.6	42%	0.417	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	69.4	172.9	-70.9	-67	0	0	0	111.1	H27 A89 W99	H27-F96 HydrophobicContact CB-CE1 3.67Å; H27-F96 HydrophobicContact CB-CZ 4.43Å; H27-F96 AromaticContact CD2-CE1 3.58Å; H27-F96 AromaticContact CE1-CE1 3.8Å; H27-F96 AromaticContact CE1-CZ 3.8Å; H27-F96 AromaticContact CG-CE1 3.34Å; H27-F96 AromaticContact CG-CZ 3.93Å; H27-F96 AromaticContact ND1-CE1 3.46Å; H27-F96 WeakPolarHBondContact ND1-CE1 3.46Å; H27-F96 AromaticContact ND1-CZ 3.54Å; H27-F96 AromaticContact NE2-CE1 3.9Å; A89-F96 HydrophobicContact CB-CD1 3.82Å; A89-F96 HydrophobicContact CB-CE1 4.48Å; F96-W99 HydrophobicContact CB-CZ2 4.28Å; F96-W99 HydrophobicContact CG-CZ2 4.46Å; F96-W99 PolarHBondContact O-NE1 2.89Å
97	D	70.4	Confident	84.5	Confident	99 Å²	99	60.8 Å²	60.8	53%	0.529	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-24.5	-166.8	-67.2	-37.1	0	0	0	113.4	E90 Y92 H95	E90-D97 PolarHBondContact O-N 3.26Å; Y92-D97 HydrophobicContact CD2-CB 4.34Å; H95-D97 WeakPolarHBondContact CB-OD1 3.31Å; H95-D97 PolarHBondContact O-N 3.09Å
98	V	83	Confident	84.4	Confident	53 Å²	53	61.1 Å²	61.1	32%	0.321	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.8	-176.1	-174.5	0	0	0	0	110.5	A89 E90 Y92	A89-V98 CarbonylContact C-O 3.58Å; A89-V98 WeakPolarHBondContact CA-O 3.48Å; E90-V98 HydrophobicContact CB-CB 4.2Å; E90-V98 PolarHBondContact N-O 3.5Å; E90-V98 WeakPolarHBondContact OE2-CB 3.24Å; Y92-V98 HydrophobicContact CE2-CG2 4.1Å
99	W	89.3	Confident	83.9	Confident	105 Å²	105	67.7 Å²	67.7	40%	0.398	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.6	176.8	-71.3	69.2	0	0	0	110.4	V29 L37 Y87 A89 F96	V29-W99 HydrophobicContact CB-CH2 4.3Å; V29-W99 HydrophobicContact CB-CZ3 4.01Å; V29-W99 HydrophobicContact CG1-CH2 4.28Å; V29-W99 HydrophobicContact CG1-CZ3 4.19Å; V29-W99 HydrophobicContact CG2-CH2 3.86Å; V29-W99 HydrophobicContact CG2-CZ3 3.97Å; L37-W99 HydrophobicContact CD1-CH2 3.89Å; L37-W99 HydrophobicContact CD1-CZ3 4.34Å; Y87-W99 HydrophobicContact CD1-CE3 4.45Å; Y87-W99 HydrophobicContact CG-CE3 4.18Å; Y87-W99 HydrophobicContact CG-CZ3 4.35Å; A89-W99 HydrophobicContact CB-CD2 3.76Å; A89-W99 HydrophobicContact CB-CE3 4.07Å; A89-W99 HydrophobicContact CB-CG 4.16Å; A89-W99 HydrophobicContact CB-CH2 4.38Å; A89-W99 HydrophobicContact CB-CZ2 4.09Å; A89-W99 HydrophobicContact CB-CZ3 4.37Å; F96-W99 HydrophobicContact CB-CZ2 4.28Å; F96-W99 HydrophobicContact CG-CZ2 4.46Å; F96-W99 PolarHBondContact O-NE1 2.89Å
100	G	90.1	Very high	83.5	Confident	27 Å²	27	71.1 Å²	71.1	28%	0.278	41%	0.407	S	S	.	.			trans	-66.4	160.2	168.4	0	0	0	0	0	111.5	Y87 C88 G102	Y87-G100 WeakPolarHBondContact CD1-O 3.25Å; C88-G100 PolarHBondContact O-N 3.42Å; G100-G102 PolarHBondContact O-N 2.78Å
101	A	91.8	Very high	83.2	Confident	107 Å²	107	74.3 Å²	74.3	88%	0.884	43%	0.427	S	S	*	.			trans	-62	-15.2	179.7	0	0	0	0	0	114.3
102	G	94.1	Very high	83.3	Confident	26 Å²	26	77.2 Å²	77.2	27%	0.268	44%	0.443	S	S	.	.			trans	85.5	149.5	-177.4	0	0	0	0	0	112.8	Y86 Y87 G100	Y86-G102 CarbonylContact O-C 3.4Å; Y86-G102 VanDerWaalsContact O-CA 3.28Å; Y86-G102 WeakPolarHBondContact O-CA 3.35Å; Y87-G102 VanDerWaalsContact CD1-CA 3.41Å; G100-G102 PolarHBondContact O-N 2.78Å
103	T	96.8	Very high	84	Confident	43 Å²	43	76.9 Å²	76.9	26%	0.264	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.6	174.1	-60	0	0	0	0	109.5	E2 L12 Y86 V105	E2-T103 HydrophobicContact CG-CG2 4.33Å; L12-T103 HydrophobicContact CD2-CG2 3.84Å; Y86-T103 PolarHBondContact N-O 3.46Å; Y86-T103 PolarHBondContact O-N 3.18Å; T103-V105 PolarHBondContact O-N 3.17Å
104	T	97.1	Very high	85.3	Confident	62 Å²	62	78 Å²	78	38%	0.38	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.5	170	-48.2	0	0	0	0	109.5	A1 E2	A1-T104 CarbonylContact C-O 3.51Å; A1-T104 WeakPolarHBondContact CA-O 3.37Å; E2-T104 PolarHBondContact N-O 3.14Å
105	V	96.8	Very high	87	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.6	168.7	179.7	0	0	0	0	107.1	E2 V4 V10 L12 L78 S83 A84 Y86 T103 V107	E2-V105 HydrophobicContact CB-CG2 4.27Å; E2-V105 CarbonylContact O-C 3.37Å; E2-V105 WeakPolarHBondContact O-CA 3.41Å; V4-V105 HydrophobicContact CG2-CG1 4.27Å; V10-V105 HydrophobicContact CG1-CG1 4.42Å; V10-V105 HydrophobicContact CG1-CG2 4.4Å; L12-V105 HydrophobicContact CD1-CG2 4.19Å; L12-V105 HydrophobicContact CD2-CG2 4.1Å; L78-V105 HydrophobicContact CD1-CG1 4.35Å; S83-V105 CarbonylContact C-O 3.57Å; S83-V105 VanDerWaalsContact CA-O 3.26Å; S83-V105 WeakPolarHBondContact CA-O 3.24Å; A84-V105 PolarHBondContact N-O 3.12Å; A84-V105 PolarHBondContact O-N 3.03Å; Y86-V105 HydrophobicContact CD2-CB 3.93Å; Y86-V105 HydrophobicContact CD2-CG2 3.61Å; Y86-V105 HydrophobicContact CE2-CB 3.81Å; Y86-V105 HydrophobicContact CE2-CG2 3.91Å; T103-V105 PolarHBondContact O-N 3.17Å; V105-V107 HydrophobicContact CG1-CG2 4.41Å
106	T	96.7	Very high	88.8	Confident	60 Å²	60	63.6 Å²	63.6	37%	0.368	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.1	177.1	-57.8	0	0	0	0	108.8	E2 L3 V4	E2-T106 PolarHBondContact O-N 3.3Å; L3-T106 WeakPolarHBondContact CA-O 3.4Å; L3-T106 HydrophobicContact CD1-CG2 3.79Å; V4-T106 PolarHBondContact N-O 2.54Å
107	V	95.6	Very high	90.6	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.042	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106.6	179.2	-170.5	0	0	0	0	108.9	V4 P6 L78 T79 D82 S83 V105	V4-V107 HydrophobicContact CG2-CB 4.35Å; V4-V107 HydrophobicContact CG2-CG1 4.39Å; V4-V107 HydrophobicContact CG2-CG2 3.79Å; V4-V107 WeakPolarHBondContact O-CA 2.79Å; P6-V107 HydrophobicContact CB-CG1 4.44Å; P6-V107 HydrophobicContact CG-CG1 4.19Å; L78-V107 HydrophobicContact CB-CG1 4.4Å; L78-V107 HydrophobicContact CB-CG2 3.99Å; L78-V107 HydrophobicContact CD1-CG2 4.39Å; T79-V107 VanDerWaalsContact O-CB 3.27Å; T79-V107 WeakPolarHBondContact O-CB 3.37Å; T79-V107 WeakPolarHBondContact O-CG1 3.03Å; T79-V107 VanDerWaalsContact O-CG2 3.29Å; T79-V107 WeakPolarHBondContact O-CG2 3.45Å; D82-V107 HydrophobicContact CB-CG2 4.39Å; S83-V107 PolarHBondContact OG-N 3.38Å; V105-V107 HydrophobicContact CG1-CG2 4.41Å
108	S	93.1	Very high	92.3	Very high	54 Å²	54	58.1 Å²	58.1	38%	0.378	39%	0.388	S	S	.	.			trans	-141.4	149.6	-178.1	66.6	0	0	0	0	112.1	L3 V4	L3-S108 WeakPolarHBondContact CD1-OG 3.3Å; V4-S108 PolarHBondContact O-N 2.82Å
109	S	83.3	Confident	93.1	Very high	153 Å²	153	58.5 Å²	58.5	100%	1.07	39%	0.394	S	S	*	.			trans	-72.8	0	176.3	59	0	0	0	0	113

Retrieved 109 of 109 residues in 31.7 ms (Link to these results)

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